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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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12684 |
1te4 ![]() ![]() |
5629 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H MET 1 -19.999 13.275 12.829 2 HA MET 1 HA MET 1 -20.211 11.173 11.588 3 1HB MET 1 1HB MET 1 -20.793 13.091 9.322 4 2HB MET 1 2HB MET 1 -20.385 11.397 9.104 5 1HG MET 1 1HG MET 1 -22.731 11.572 8.929 6 2HG MET 1 2HG MET 1 -22.388 10.825 10.487 7 1HE MET 1 1HE MET 1 -23.632 15.242 9.978 8 2HE MET 1 2HE MET 1 -23.372 14.128 8.636 9 3HE MET 1 3HE MET 1 -22.005 14.666 9.611 10 H ALA 2 H ALA 2 -18.459 13.586 12.363 11 HA ALA 2 HA ALA 2 -16.243 14.078 12.334 12 1HB ALA 2 1HB ALA 2 -15.924 11.655 12.488 13 2HB ALA 2 2HB ALA 2 -14.658 12.420 11.527 14 3HB ALA 2 3HB ALA 2 -15.960 11.540 10.729 15 H ASP 3 H ASP 3 -14.757 15.210 11.091 16 HA ASP 3 HA ASP 3 -15.744 15.983 8.459 17 1HB ASP 3 1HB ASP 3 -13.557 17.174 10.179 18 2HB ASP 3 2HB ASP 3 -14.120 17.840 8.649 19 H GLU 4 H GLU 4 -13.737 13.669 9.586 20 HA GLU 4 HA GLU 4 -11.822 13.915 7.369 21 1HB GLU 4 1HB GLU 4 -11.735 12.388 9.962 22 2HB GLU 4 2HB GLU 4 -10.632 12.031 8.643 23 1HG GLU 4 1HG GLU 4 -9.555 13.482 10.217 24 2HG GLU 4 2HG GLU 4 -9.834 14.358 8.714 25 H ASN 5 H ASN 5 -14.675 12.416 8.149 26 HA ASN 5 HA ASN 5 -14.288 10.437 6.036 27 1HB ASN 5 1HB ASN 5 -13.866 9.192 8.089 28 2HB ASN 5 2HB ASN 5 -15.378 9.773 8.780 29 1HD2 ASN 5 1HD2 ASN 5 -13.898 7.586 6.546 30 2HD2 ASN 5 2HD2 ASN 5 -15.309 6.651 6.204 31 H LYS 6 H LYS 6 -15.651 11.487 4.659 32 HA LYS 6 HA LYS 6 -18.362 12.105 5.587 33 1HB LYS 6 1HB LYS 6 -16.702 13.626 4.119 34 2HB LYS 6 2HB LYS 6 -17.503 12.758 2.817 35 1HG LYS 6 1HG LYS 6 -18.905 14.354 4.952 36 2HG LYS 6 2HG LYS 6 -18.557 14.919 3.318 37 1HD LYS 6 1HD LYS 6 -19.894 12.991 2.454 38 2HD LYS 6 2HD LYS 6 -20.352 12.633 4.120 39 1HE LYS 6 1HE LYS 6 -20.901 15.206 2.645 40 2HE LYS 6 2HE LYS 6 -22.078 13.935 2.978 41 1HZ LYS 6 1HZ LYS 6 -22.353 15.627 4.598 42 2HZ LYS 6 2HZ LYS 6 -20.700 15.669 4.950 43 3HZ LYS 6 3HZ LYS 6 -21.621 14.317 5.381 44 H TRP 7 H TRP 7 -16.569 10.148 3.292 45 HA TRP 7 HA TRP 7 -19.004 9.016 2.178 46 1HB TRP 7 1HB TRP 7 -17.245 7.571 0.915 47 2HB TRP 7 2HB TRP 7 -17.424 9.269 0.493 48 HD1 TRP 7 HD1 TRP 7 -15.262 7.535 3.236 49 HE1 TRP 7 HE1 TRP 7 -12.853 8.402 2.993 50 HE3 TRP 7 HE3 TRP 7 -15.901 10.581 -0.820 51 HZ2 TRP 7 HZ2 TRP 7 -11.411 10.143 1.304 52 HZ3 TRP 7 HZ3 TRP 7 -13.955 11.810 -1.688 53 HH2 TRP 7 HH2 TRP 7 -11.756 11.595 -0.647 54 H VAL 8 H VAL 8 -19.679 6.904 2.418 55 HA VAL 8 HA VAL 8 -18.246 4.875 3.723 56 HB VAL 8 HB VAL 8 -18.443 6.097 5.758 57 1HG1 VAL 8 1HG1 VAL 8 -20.241 7.618 5.078 58 2HG1 VAL 8 2HG1 VAL 8 -20.546 6.907 6.661 59 3HG1 VAL 8 3HG1 VAL 8 -21.407 6.306 5.245 60 1HG2 VAL 8 1HG2 VAL 8 -20.610 4.000 5.777 61 2HG2 VAL 8 2HG2 VAL 8 -19.672 4.568 7.160 62 3HG2 VAL 8 3HG2 VAL 8 -18.880 3.665 5.868 63 H ARG 9 H ARG 9 -19.033 3.365 2.408 64 HA ARG 9 HA ARG 9 -20.455 1.897 1.419 65 1HB ARG 9 1HB ARG 9 -22.315 2.681 3.672 66 2HB ARG 9 2HB ARG 9 -22.460 1.247 2.664 67 1HG ARG 9 1HG ARG 9 -20.349 0.403 3.536 68 2HG ARG 9 2HG ARG 9 -20.171 1.852 4.528 69 1HD ARG 9 1HD ARG 9 -22.194 1.282 5.752 70 2HD ARG 9 2HD ARG 9 -22.432 -0.135 4.730 71 HE ARG 9 HE ARG 9 -19.889 -0.177 6.008 72 1HH1 ARG 9 1HH1 ARG 9 -23.284 -0.753 6.544 73 2HH1 ARG 9 2HH1 ARG 9 -23.021 -1.910 7.806 74 1HH2 ARG 9 1HH2 ARG 9 -19.534 -1.702 7.669 75 2HH2 ARG 9 2HH2 ARG 9 -20.889 -2.449 8.445 76 H ARG 10 H ARG 10 -20.647 4.904 0.893 77 HA ARG 10 HA ARG 10 -23.319 5.447 0.141 78 1HB ARG 10 1HB ARG 10 -22.256 7.217 -1.322 79 2HB ARG 10 2HB ARG 10 -21.860 7.306 0.388 80 1HG ARG 10 1HG ARG 10 -19.700 6.334 -0.005 81 2HG ARG 10 2HG ARG 10 -20.095 6.045 -1.699 82 1HD ARG 10 1HD ARG 10 -18.685 8.024 -1.437 83 2HD ARG 10 2HD ARG 10 -20.272 8.445 -2.081 84 HE ARG 10 HE ARG 10 -20.279 8.686 0.729 85 1HH1 ARG 10 1HH1 ARG 10 -19.054 10.251 -2.134 86 2HH1 ARG 10 2HH1 ARG 10 -18.984 11.819 -1.401 87 1HH2 ARG 10 1HH2 ARG 10 -20.188 10.742 1.701 88 2HH2 ARG 10 2HH2 ARG 10 -19.627 12.098 0.780 89 H ASP 11 H ASP 11 -24.357 4.090 -1.184 90 HA ASP 11 HA ASP 11 -24.985 3.079 -3.129 91 1HB ASP 11 1HB ASP 11 -23.995 5.089 -4.239 92 2HB ASP 11 2HB ASP 11 -22.463 4.227 -4.336 93 H VAL 12 H VAL 12 -22.103 2.507 -1.511 94 HA VAL 12 HA VAL 12 -21.267 0.204 -3.054 95 HB VAL 12 HB VAL 12 -20.282 0.910 -0.296 96 1HG1 VAL 12 1HG1 VAL 12 -18.151 -0.012 -1.241 97 2HG1 VAL 12 2HG1 VAL 12 -19.070 -0.498 -2.666 98 3HG1 VAL 12 3HG1 VAL 12 -19.463 -1.179 -1.088 99 1HG2 VAL 12 1HG2 VAL 12 -18.574 2.331 -1.346 100 2HG2 VAL 12 2HG2 VAL 12 -20.201 2.968 -1.578 101 3HG2 VAL 12 3HG2 VAL 12 -19.383 2.138 -2.901 102 H SER 13 H SER 13 -20.847 -1.882 -1.717 103 HA SER 13 HA SER 13 -22.757 -2.415 0.376 104 1HB SER 13 1HB SER 13 -24.159 -2.645 -1.640 105 2HB SER 13 2HB SER 13 -23.031 -3.838 -2.282 106 HG SER 13 HG SER 13 -23.955 -4.357 0.265 107 H THR 14 H THR 14 -20.122 -3.340 -1.666 108 HA THR 14 HA THR 14 -19.650 -5.831 -0.242 109 HB THR 14 HB THR 14 -17.605 -4.719 -2.103 110 HG1 THR 14 HG1 THR 14 -19.029 -4.500 -3.650 111 1HG2 THR 14 1HG2 THR 14 -17.235 -6.900 -1.133 112 2HG2 THR 14 2HG2 THR 14 -17.576 -7.092 -2.852 113 3HG2 THR 14 3HG2 THR 14 -18.826 -7.446 -1.660 114 H ALA 15 H ALA 15 -16.901 -5.911 -0.043 115 HA ALA 15 HA ALA 15 -16.472 -4.072 2.182 116 1HB ALA 15 1HB ALA 15 -14.802 -6.440 1.356 117 2HB ALA 15 2HB ALA 15 -16.147 -6.512 2.494 118 3HB ALA 15 3HB ALA 15 -14.717 -5.555 2.880 119 H LEU 16 H LEU 16 -14.317 -5.419 -0.319 120 HA LEU 16 HA LEU 16 -12.602 -3.124 -0.156 121 1HB LEU 16 1HB LEU 16 -11.136 -4.256 -1.614 122 2HB LEU 16 2HB LEU 16 -11.789 -5.458 -0.525 123 HG LEU 16 HG LEU 16 -11.775 -6.564 -2.552 124 1HD1 LEU 16 1HD1 LEU 16 -14.511 -5.320 -2.416 125 2HD1 LEU 16 2HD1 LEU 16 -13.974 -6.792 -1.609 126 3HD1 LEU 16 3HD1 LEU 16 -14.084 -6.742 -3.368 127 1HD2 LEU 16 1HD2 LEU 16 -12.884 -4.168 -3.991 128 2HD2 LEU 16 2HD2 LEU 16 -12.229 -5.647 -4.692 129 3HD2 LEU 16 3HD2 LEU 16 -11.162 -4.523 -3.853 130 H SER 17 H SER 17 -15.416 -3.771 -1.871 131 HA SER 17 HA SER 17 -15.099 -2.796 -4.397 132 1HB SER 17 1HB SER 17 -17.239 -3.617 -3.581 133 2HB SER 17 2HB SER 17 -17.398 -2.219 -2.517 134 HG SER 17 HG SER 17 -18.284 -2.390 -4.934 135 H ARG 18 H ARG 18 -15.757 -0.760 -1.523 136 HA ARG 18 HA ARG 18 -14.051 1.314 -2.376 137 1HB ARG 18 1HB ARG 18 -15.816 1.626 -4.086 138 2HB ARG 18 2HB ARG 18 -16.989 1.884 -2.801 139 1HG ARG 18 1HG ARG 18 -15.710 3.848 -2.056 140 2HG ARG 18 2HG ARG 18 -14.591 3.603 -3.397 141 1HD ARG 18 1HD ARG 18 -16.422 3.904 -4.985 142 2HD ARG 18 2HD ARG 18 -17.550 4.132 -3.648 143 HE ARG 18 HE ARG 18 -15.303 5.958 -3.713 144 1HH1 ARG 18 1HH1 ARG 18 -18.621 5.376 -4.604 145 2HH1 ARG 18 2HH1 ARG 18 -19.000 7.056 -4.789 146 1HH2 ARG 18 1HH2 ARG 18 -15.793 8.169 -3.950 147 2HH2 ARG 18 2HH2 ARG 18 -17.391 8.645 -4.416 148 H MET 19 H MET 19 -13.378 1.404 -0.275 149 HA MET 19 HA MET 19 -15.279 2.615 1.608 150 1HB MET 19 1HB MET 19 -13.348 0.375 2.221 151 2HB MET 19 2HB MET 19 -14.214 1.295 3.444 152 1HG MET 19 1HG MET 19 -15.429 -0.453 1.318 153 2HG MET 19 2HG MET 19 -15.318 -0.808 3.041 154 1HE MET 19 1HE MET 19 -17.930 -1.051 1.390 155 2HE MET 19 2HE MET 19 -19.160 -0.200 2.323 156 3HE MET 19 3HE MET 19 -18.030 -1.283 3.136 157 H GLY 20 H GLY 20 -11.887 1.981 0.808 158 1HA GLY 20 1HA GLY 20 -10.005 3.268 1.071 159 2HA GLY 20 2HA GLY 20 -11.086 4.651 1.172 160 H ASP 21 H ASP 21 -11.766 2.269 3.482 161 HA ASP 21 HA ASP 21 -9.893 2.979 5.488 162 1HB ASP 21 1HB ASP 21 -11.047 5.103 5.513 163 2HB ASP 21 2HB ASP 21 -12.610 4.300 5.612 164 H GLU 22 H GLU 22 -13.373 2.215 5.272 165 HA GLU 22 HA GLU 22 -13.355 0.422 7.455 166 1HB GLU 22 1HB GLU 22 -15.296 0.707 5.159 167 2HB GLU 22 2HB GLU 22 -15.577 -0.295 6.576 168 1HG GLU 22 1HG GLU 22 -15.159 2.685 6.606 169 2HG GLU 22 2HG GLU 22 -16.718 1.867 6.706 170 H ALA 23 H ALA 23 -12.295 0.070 4.236 171 HA ALA 23 HA ALA 23 -12.539 -2.851 4.334 172 1HB ALA 23 1HB ALA 23 -11.911 -2.814 1.976 173 2HB ALA 23 2HB ALA 23 -11.680 -1.067 2.056 174 3HB ALA 23 3HB ALA 23 -13.287 -1.754 2.281 175 H PHE 24 H PHE 24 -10.420 -0.556 5.308 176 HA PHE 24 HA PHE 24 -7.932 -1.498 4.409 177 1HB PHE 24 1HB PHE 24 -8.595 0.679 5.711 178 2HB PHE 24 2HB PHE 24 -8.286 -0.306 7.137 179 HD1 PHE 24 HD1 PHE 24 -6.314 0.449 8.053 180 HD2 PHE 24 HD2 PHE 24 -6.551 -0.177 3.854 181 HE1 PHE 24 HE1 PHE 24 -3.913 0.913 7.850 182 HE2 PHE 24 HE2 PHE 24 -4.153 0.283 3.643 183 HZ PHE 24 HZ PHE 24 -2.821 0.832 5.642 184 H GLU 25 H GLU 25 -9.700 -2.130 7.425 185 HA GLU 25 HA GLU 25 -7.894 -4.025 8.443 186 1HB GLU 25 1HB GLU 25 -10.672 -3.216 9.042 187 2HB GLU 25 2HB GLU 25 -10.187 -4.823 9.560 188 1HG GLU 25 1HG GLU 25 -8.322 -3.864 10.809 189 2HG GLU 25 2HG GLU 25 -8.793 -2.251 10.273 190 HA PRO 26 HA PRO 26 -11.035 -7.432 6.683 191 1HB PRO 26 1HB PRO 26 -11.823 -5.952 4.232 192 2HB PRO 26 2HB PRO 26 -12.776 -7.045 5.239 193 1HG PRO 26 1HG PRO 26 -13.115 -4.372 5.281 194 2HG PRO 26 2HG PRO 26 -13.369 -5.388 6.711 195 1HD PRO 26 1HD PRO 26 -11.164 -3.516 6.086 196 2HD PRO 26 2HD PRO 26 -11.789 -4.042 7.658 197 H LEU 27 H LEU 27 -9.142 -5.111 5.000 198 HA LEU 27 HA LEU 27 -8.136 -6.832 2.955 199 1HB LEU 27 1HB LEU 27 -7.962 -4.699 2.228 200 2HB LEU 27 2HB LEU 27 -7.915 -4.059 3.862 201 HG LEU 27 HG LEU 27 -5.487 -4.781 3.929 202 1HD1 LEU 27 1HD1 LEU 27 -5.942 -5.004 0.957 203 2HD1 LEU 27 2HD1 LEU 27 -5.542 -6.329 2.050 204 3HD1 LEU 27 3HD1 LEU 27 -4.375 -5.038 1.765 205 1HD2 LEU 27 1HD2 LEU 27 -4.755 -2.763 2.850 206 2HD2 LEU 27 2HD2 LEU 27 -6.309 -2.457 3.625 207 3HD2 LEU 27 3HD2 LEU 27 -6.225 -2.699 1.880 208 H LEU 28 H LEU 28 -7.034 -5.574 6.057 209 HA LEU 28 HA LEU 28 -4.493 -6.845 6.055 210 1HB LEU 28 1HB LEU 28 -4.758 -4.976 7.482 211 2HB LEU 28 2HB LEU 28 -6.231 -5.617 8.182 212 HG LEU 28 HG LEU 28 -4.778 -7.460 9.183 213 1HD1 LEU 28 1HD1 LEU 28 -2.635 -5.531 8.316 214 2HD1 LEU 28 2HD1 LEU 28 -2.804 -7.227 7.862 215 3HD1 LEU 28 3HD1 LEU 28 -2.403 -6.796 9.523 216 1HD2 LEU 28 1HD2 LEU 28 -4.494 -4.590 10.043 217 2HD2 LEU 28 2HD2 LEU 28 -4.000 -5.966 11.026 218 3HD2 LEU 28 3HD2 LEU 28 -5.695 -5.761 10.583 219 H GLU 29 H GLU 29 -7.709 -7.827 6.875 220 HA GLU 29 HA GLU 29 -7.113 -9.991 8.579 221 1HB GLU 29 1HB GLU 29 -9.356 -8.847 8.247 222 2HB GLU 29 2HB GLU 29 -9.514 -9.782 6.767 223 1HG GLU 29 1HG GLU 29 -9.089 -11.030 9.467 224 2HG GLU 29 2HG GLU 29 -10.682 -10.710 8.784 225 H SER 30 H SER 30 -7.536 -9.731 5.083 226 HA SER 30 HA SER 30 -7.519 -12.465 4.464 227 1HB SER 30 1HB SER 30 -6.618 -10.106 2.799 228 2HB SER 30 2HB SER 30 -6.903 -11.730 2.174 229 HG SER 30 HG SER 30 -8.904 -11.152 2.000 230 H LEU 31 H LEU 31 -4.965 -10.444 5.519 231 HA LEU 31 HA LEU 31 -2.807 -11.770 4.230 232 1HB LEU 31 1HB LEU 31 -2.832 -10.169 6.787 233 2HB LEU 31 2HB LEU 31 -1.393 -10.657 5.914 234 HG LEU 31 HG LEU 31 -3.515 -8.744 4.940 235 1HD1 LEU 31 1HD1 LEU 31 -1.940 -7.040 5.234 236 2HD1 LEU 31 2HD1 LEU 31 -0.610 -8.181 5.427 237 3HD1 LEU 31 3HD1 LEU 31 -1.818 -8.013 6.699 238 1HD2 LEU 31 1HD2 LEU 31 -1.016 -9.742 3.573 239 2HD2 LEU 31 2HD2 LEU 31 -2.025 -8.410 3.005 240 3HD2 LEU 31 3HD2 LEU 31 -2.681 -10.046 3.075 241 H SER 32 H SER 32 -4.883 -12.749 6.687 242 HA SER 32 HA SER 32 -2.920 -14.684 7.719 243 1HB SER 32 1HB SER 32 -3.898 -13.270 9.460 244 2HB SER 32 2HB SER 32 -5.521 -13.735 8.948 245 HG SER 32 HG SER 32 -4.560 -14.908 10.795 246 H ASN 33 H ASN 33 -5.235 -14.462 5.449 247 HA ASN 33 HA ASN 33 -6.819 -16.768 5.905 248 1HB ASN 33 1HB ASN 33 -7.374 -14.884 4.324 249 2HB ASN 33 2HB ASN 33 -6.154 -15.528 3.228 250 1HD2 ASN 33 1HD2 ASN 33 -8.251 -17.477 5.242 251 2HD2 ASN 33 2HD2 ASN 33 -9.162 -18.174 3.949 252 H GLU 34 H GLU 34 -6.559 -18.864 5.287 253 HA GLU 34 HA GLU 34 -3.924 -19.837 4.929 254 1HB GLU 34 1HB GLU 34 -6.547 -21.286 4.535 255 2HB GLU 34 2HB GLU 34 -4.970 -22.040 4.737 256 1HG GLU 34 1HG GLU 34 -4.822 -21.041 6.989 257 2HG GLU 34 2HG GLU 34 -6.448 -20.395 6.778 258 H ASP 35 H ASP 35 -6.398 -18.878 2.711 259 HA ASP 35 HA ASP 35 -5.282 -20.323 0.471 260 1HB ASP 35 1HB ASP 35 -7.388 -18.150 0.516 261 2HB ASP 35 2HB ASP 35 -6.995 -19.182 -0.856 262 H TRP 36 H TRP 36 -4.018 -19.522 -1.150 263 HA TRP 36 HA TRP 36 -2.622 -17.044 -0.566 264 1HB TRP 36 1HB TRP 36 -1.087 -17.736 -2.362 265 2HB TRP 36 2HB TRP 36 -1.297 -19.004 -1.159 266 HD1 TRP 36 HD1 TRP 36 -2.700 -21.189 -1.915 267 HE1 TRP 36 HE1 TRP 36 -3.146 -22.182 -4.248 268 HE3 TRP 36 HE3 TRP 36 -1.487 -17.131 -4.784 269 HZ2 TRP 36 HZ2 TRP 36 -3.006 -21.364 -6.936 270 HZ3 TRP 36 HZ3 TRP 36 -1.672 -17.324 -7.230 271 HH2 TRP 36 HH2 TRP 36 -2.416 -19.400 -8.280 272 H ARG 37 H ARG 37 -4.998 -18.248 -2.793 273 HA ARG 37 HA ARG 37 -4.691 -16.345 -4.839 274 1HB ARG 37 1HB ARG 37 -5.981 -18.363 -5.197 275 2HB ARG 37 2HB ARG 37 -7.126 -17.896 -3.947 276 1HG ARG 37 1HG ARG 37 -7.883 -16.037 -5.274 277 2HG ARG 37 2HG ARG 37 -6.663 -16.376 -6.500 278 1HD ARG 37 1HD ARG 37 -7.708 -18.509 -6.991 279 2HD ARG 37 2HD ARG 37 -8.885 -18.254 -5.704 280 HE ARG 37 HE ARG 37 -8.917 -16.151 -7.636 281 1HH1 ARG 37 1HH1 ARG 37 -10.024 -19.394 -7.000 282 2HH1 ARG 37 2HH1 ARG 37 -11.414 -19.257 -8.022 283 1HH2 ARG 37 1HH2 ARG 37 -10.747 -15.962 -8.981 284 2HH2 ARG 37 2HH2 ARG 37 -11.826 -17.306 -9.148 285 H ILE 38 H ILE 38 -6.630 -16.341 -1.874 286 HA ILE 38 HA ILE 38 -7.798 -13.773 -2.463 287 HB ILE 38 HB ILE 38 -7.820 -15.332 0.126 288 1HG1 ILE 38 1HG1 ILE 38 -9.881 -15.158 -2.088 289 2HG1 ILE 38 2HG1 ILE 38 -8.865 -16.553 -1.744 290 1HG2 ILE 38 1HG2 ILE 38 -9.754 -13.905 0.684 291 2HG2 ILE 38 2HG2 ILE 38 -9.472 -12.981 -0.791 292 3HG2 ILE 38 3HG2 ILE 38 -8.265 -12.980 0.494 293 1HD1 ILE 38 1HD1 ILE 38 -10.913 -15.397 0.132 294 2HD1 ILE 38 2HD1 ILE 38 -9.945 -16.846 0.398 295 3HD1 ILE 38 3HD1 ILE 38 -11.144 -16.812 -0.894 296 H ARG 39 H ARG 39 -5.261 -15.015 -0.328 297 HA ARG 39 HA ARG 39 -4.713 -12.650 1.066 298 1HB ARG 39 1HB ARG 39 -3.813 -14.795 1.775 299 2HB ARG 39 2HB ARG 39 -2.865 -14.918 0.299 300 1HG ARG 39 1HG ARG 39 -1.514 -13.023 0.972 301 2HG ARG 39 2HG ARG 39 -2.499 -12.812 2.421 302 1HD ARG 39 1HD ARG 39 -0.360 -13.994 2.843 303 2HD ARG 39 2HD ARG 39 -1.783 -14.935 3.284 304 HE ARG 39 HE ARG 39 -1.011 -15.560 0.648 305 1HH1 ARG 39 1HH1 ARG 39 0.009 -16.022 3.948 306 2HH1 ARG 39 2HH1 ARG 39 0.813 -17.521 3.624 307 1HH2 ARG 39 1HH2 ARG 39 0.045 -17.531 0.212 308 2HH2 ARG 39 2HH2 ARG 39 0.834 -18.379 1.501 309 H GLY 40 H GLY 40 -3.986 -13.613 -2.168 310 1HA GLY 40 1HA GLY 40 -1.784 -11.909 -2.669 311 2HA GLY 40 2HA GLY 40 -2.850 -12.595 -3.884 312 H ALA 41 H ALA 41 -5.143 -11.508 -3.805 313 HA ALA 41 HA ALA 41 -4.991 -8.984 -4.813 314 1HB ALA 41 1HB ALA 41 -6.988 -10.425 -4.915 315 2HB ALA 41 2HB ALA 41 -7.369 -8.772 -4.435 316 3HB ALA 41 3HB ALA 41 -7.320 -10.052 -3.223 317 H ALA 42 H ALA 42 -5.321 -9.886 -1.415 318 HA ALA 42 HA ALA 42 -5.837 -7.367 -0.335 319 1HB ALA 42 1HB ALA 42 -6.001 -9.399 0.987 320 2HB ALA 42 2HB ALA 42 -4.896 -8.258 1.757 321 3HB ALA 42 3HB ALA 42 -4.258 -9.641 0.866 322 H ALA 43 H ALA 43 -2.700 -9.004 -0.743 323 HA ALA 43 HA ALA 43 -1.094 -6.835 0.069 324 1HB ALA 43 1HB ALA 43 -0.356 -9.033 -1.860 325 2HB ALA 43 2HB ALA 43 -0.347 -9.197 -0.105 326 3HB ALA 43 3HB ALA 43 0.743 -8.053 -0.889 327 H TRP 44 H TRP 44 -2.578 -7.686 -2.972 328 HA TRP 44 HA TRP 44 -1.040 -6.010 -4.654 329 1HB TRP 44 1HB TRP 44 -3.625 -7.483 -4.910 330 2HB TRP 44 2HB TRP 44 -3.217 -6.274 -6.123 331 HD1 TRP 44 HD1 TRP 44 -1.334 -9.248 -4.469 332 HE1 TRP 44 HE1 TRP 44 -0.034 -10.480 -6.312 333 HE3 TRP 44 HE3 TRP 44 -2.646 -6.347 -8.470 334 HZ2 TRP 44 HZ2 TRP 44 0.391 -10.259 -9.087 335 HZ3 TRP 44 HZ3 TRP 44 -1.754 -6.930 -10.689 336 HH2 TRP 44 HH2 TRP 44 -0.270 -8.847 -10.991 337 H ILE 45 H ILE 45 -3.947 -5.478 -2.749 338 HA ILE 45 HA ILE 45 -4.239 -2.789 -3.880 339 HB ILE 45 HB ILE 45 -6.091 -4.206 -1.962 340 1HG1 ILE 45 1HG1 ILE 45 -6.301 -3.942 -4.971 341 2HG1 ILE 45 2HG1 ILE 45 -5.868 -5.417 -4.114 342 1HG2 ILE 45 1HG2 ILE 45 -7.715 -2.524 -2.656 343 2HG2 ILE 45 2HG2 ILE 45 -6.511 -1.783 -3.710 344 3HG2 ILE 45 3HG2 ILE 45 -6.282 -1.767 -1.962 345 1HD1 ILE 45 1HD1 ILE 45 -8.496 -3.963 -3.938 346 2HD1 ILE 45 2HD1 ILE 45 -8.067 -5.414 -3.032 347 3HD1 ILE 45 3HD1 ILE 45 -8.184 -5.475 -4.791 348 H ILE 46 H ILE 46 -3.064 -4.410 -1.110 349 HA ILE 46 HA ILE 46 -3.551 -2.546 0.903 350 HB ILE 46 HB ILE 46 -2.504 -4.950 0.987 351 1HG1 ILE 46 1HG1 ILE 46 -1.424 -2.982 2.974 352 2HG1 ILE 46 2HG1 ILE 46 -3.156 -3.255 2.835 353 1HG2 ILE 46 1HG2 ILE 46 -0.135 -5.015 1.341 354 2HG2 ILE 46 2HG2 ILE 46 -0.012 -3.266 1.146 355 3HG2 ILE 46 3HG2 ILE 46 -0.445 -4.278 -0.231 356 1HD1 ILE 46 1HD1 ILE 46 -2.931 -5.530 3.450 357 2HD1 ILE 46 2HD1 ILE 46 -1.993 -4.582 4.605 358 3HD1 ILE 46 3HD1 ILE 46 -1.176 -5.458 3.310 359 H GLY 47 H GLY 47 -1.027 -2.598 -1.561 360 1HA GLY 47 1HA GLY 47 0.514 -0.505 -0.352 361 2HA GLY 47 2HA GLY 47 0.704 -1.127 -1.982 362 H ASN 48 H ASN 48 -2.337 -0.518 -2.243 363 HA ASN 48 HA ASN 48 -1.986 1.979 -3.560 364 1HB ASN 48 1HB ASN 48 -4.562 0.553 -2.871 365 2HB ASN 48 2HB ASN 48 -4.370 1.837 -4.059 366 1HD2 ASN 48 1HD2 ASN 48 -1.752 0.737 -4.904 367 2HD2 ASN 48 2HD2 ASN 48 -2.133 -0.626 -5.894 368 H PHE 49 H PHE 49 -2.398 1.293 -0.321 369 HA PHE 49 HA PHE 49 -3.913 3.741 0.225 370 1HB PHE 49 1HB PHE 49 -3.194 1.355 1.915 371 2HB PHE 49 2HB PHE 49 -3.826 2.837 2.624 372 HD1 PHE 49 HD1 PHE 49 -6.113 3.184 2.755 373 HD2 PHE 49 HD2 PHE 49 -4.601 0.249 0.069 374 HE1 PHE 49 HE1 PHE 49 -8.409 2.435 2.287 375 HE2 PHE 49 HE2 PHE 49 -6.895 -0.506 -0.403 376 HZ PHE 49 HZ PHE 49 -8.802 0.588 0.707 377 H GLN 50 H GLN 50 -0.719 2.467 0.346 378 HA GLN 50 HA GLN 50 1.278 3.307 1.033 379 1HB GLN 50 1HB GLN 50 -0.278 5.842 0.567 380 2HB GLN 50 2HB GLN 50 1.416 5.860 1.039 381 1HG GLN 50 1HG GLN 50 1.543 6.008 -1.250 382 2HG GLN 50 2HG GLN 50 1.750 4.281 -0.961 383 1HE2 GLN 50 1HE2 GLN 50 -1.312 5.947 -0.708 384 2HE2 GLN 50 2HE2 GLN 50 -2.051 5.203 -2.080 385 H ASP 51 H ASP 51 0.103 2.262 3.103 386 HA ASP 51 HA ASP 51 0.557 4.197 5.278 387 1HB ASP 51 1HB ASP 51 -1.881 3.591 4.957 388 2HB ASP 51 2HB ASP 51 -1.452 1.946 5.417 389 H GLU 52 H GLU 52 1.048 3.076 7.395 390 HA GLU 52 HA GLU 52 3.287 1.399 7.078 391 1HB GLU 52 1HB GLU 52 3.310 1.257 9.513 392 2HB GLU 52 2HB GLU 52 3.003 2.908 8.995 393 1HG GLU 52 1HG GLU 52 0.620 2.605 9.431 394 2HG GLU 52 2HG GLU 52 0.928 0.949 9.951 395 H ARG 53 H ARG 53 -0.084 0.740 7.580 396 HA ARG 53 HA ARG 53 0.121 -1.933 8.478 397 1HB ARG 53 1HB ARG 53 -1.915 -0.594 8.725 398 2HB ARG 53 2HB ARG 53 -2.101 -0.534 6.982 399 1HG ARG 53 1HG ARG 53 -3.278 -2.400 7.023 400 2HG ARG 53 2HG ARG 53 -1.935 -3.262 7.774 401 1HD ARG 53 1HD ARG 53 -4.118 -3.279 9.041 402 2HD ARG 53 2HD ARG 53 -2.697 -2.760 9.949 403 HE ARG 53 HE ARG 53 -4.588 -0.829 8.778 404 1HH1 ARG 53 1HH1 ARG 53 -2.767 -2.070 11.475 405 2HH1 ARG 53 2HH1 ARG 53 -3.177 -0.754 12.523 406 1HH2 ARG 53 1HH2 ARG 53 -5.131 0.909 10.148 407 2HH2 ARG 53 2HH2 ARG 53 -4.521 0.940 11.770 408 H ALA 54 H ALA 54 0.856 -0.549 5.503 409 HA ALA 54 HA ALA 54 0.365 -3.052 4.036 410 1HB ALA 54 1HB ALA 54 0.646 -1.738 2.001 411 2HB ALA 54 2HB ALA 54 0.996 -0.303 2.964 412 3HB ALA 54 3HB ALA 54 -0.604 -1.042 3.031 413 H VAL 55 H VAL 55 2.765 -1.236 5.540 414 HA VAL 55 HA VAL 55 4.977 -1.786 3.859 415 HB VAL 55 HB VAL 55 4.894 -1.120 6.803 416 1HG1 VAL 55 1HG1 VAL 55 6.995 -2.124 6.367 417 2HG1 VAL 55 2HG1 VAL 55 7.257 -0.379 6.386 418 3HG1 VAL 55 3HG1 VAL 55 7.175 -1.243 4.851 419 1HG2 VAL 55 1HG2 VAL 55 3.909 0.619 5.433 420 2HG2 VAL 55 2HG2 VAL 55 5.315 0.610 4.369 421 3HG2 VAL 55 3HG2 VAL 55 5.479 1.148 6.040 422 H GLU 56 H GLU 56 3.883 -3.325 6.899 423 HA GLU 56 HA GLU 56 5.916 -5.243 7.019 424 1HB GLU 56 1HB GLU 56 4.385 -4.677 8.894 425 2HB GLU 56 2HB GLU 56 3.104 -5.559 8.072 426 1HG GLU 56 1HG GLU 56 4.739 -7.544 8.106 427 2HG GLU 56 2HG GLU 56 5.609 -6.611 9.323 428 HA PRO 57 HA PRO 57 2.457 -8.219 4.847 429 1HB PRO 57 1HB PRO 57 1.927 -6.050 2.859 430 2HB PRO 57 2HB PRO 57 0.891 -7.386 3.372 431 1HG PRO 57 1HG PRO 57 0.524 -4.918 4.324 432 2HG PRO 57 2HG PRO 57 0.294 -6.345 5.347 433 1HD PRO 57 1HD PRO 57 2.458 -4.333 5.383 434 2HD PRO 57 2HD PRO 57 1.873 -5.387 6.684 435 H LEU 58 H LEU 58 4.077 -5.700 2.911 436 HA LEU 58 HA LEU 58 4.972 -7.408 0.890 437 1HB LEU 58 1HB LEU 58 6.546 -4.990 1.672 438 2HB LEU 58 2HB LEU 58 6.189 -5.610 0.072 439 HG LEU 58 HG LEU 58 4.265 -4.183 1.905 440 1HD1 LEU 58 1HD1 LEU 58 5.923 -2.733 0.832 441 2HD1 LEU 58 2HD1 LEU 58 4.294 -2.438 0.225 442 3HD1 LEU 58 3HD1 LEU 58 5.441 -3.362 -0.744 443 1HD2 LEU 58 1HD2 LEU 58 3.837 -5.390 -0.821 444 2HD2 LEU 58 2HD2 LEU 58 2.713 -4.291 -0.023 445 3HD2 LEU 58 3HD2 LEU 58 3.058 -5.868 0.687 446 H ILE 59 H ILE 59 6.446 -6.504 3.958 447 HA ILE 59 HA ILE 59 9.025 -7.429 3.550 448 HB ILE 59 HB ILE 59 7.414 -7.513 6.099 449 1HG1 ILE 59 1HG1 ILE 59 7.626 -5.264 5.108 450 2HG1 ILE 59 2HG1 ILE 59 8.525 -5.395 6.615 451 1HG2 ILE 59 1HG2 ILE 59 9.590 -7.554 7.245 452 2HG2 ILE 59 2HG2 ILE 59 10.393 -7.726 5.685 453 3HG2 ILE 59 3HG2 ILE 59 9.319 -8.998 6.269 454 1HD1 ILE 59 1HD1 ILE 59 10.598 -5.634 5.370 455 2HD1 ILE 59 2HD1 ILE 59 9.757 -4.148 4.926 456 3HD1 ILE 59 3HD1 ILE 59 9.706 -5.545 3.852 457 H LYS 60 H LYS 60 6.380 -9.271 5.114 458 HA LYS 60 HA LYS 60 7.860 -11.708 5.096 459 1HB LYS 60 1HB LYS 60 5.656 -12.739 5.731 460 2HB LYS 60 2HB LYS 60 6.214 -11.452 6.791 461 1HG LYS 60 1HG LYS 60 4.542 -10.035 6.184 462 2HG LYS 60 2HG LYS 60 4.408 -10.709 4.560 463 1HD LYS 60 1HD LYS 60 2.431 -11.316 5.736 464 2HD LYS 60 2HD LYS 60 3.422 -12.769 5.600 465 1HE LYS 60 1HE LYS 60 2.505 -12.628 7.827 466 2HE LYS 60 2HE LYS 60 4.249 -12.378 7.895 467 1HZ LYS 60 1HZ LYS 60 3.886 -10.011 8.070 468 2HZ LYS 60 2HZ LYS 60 3.028 -10.807 9.290 469 3HZ LYS 60 3HZ LYS 60 2.212 -10.216 7.931 470 H LEU 61 H LEU 61 5.355 -10.364 3.033 471 HA LEU 61 HA LEU 61 4.718 -12.615 1.527 472 1HB LEU 61 1HB LEU 61 4.501 -9.689 1.173 473 2HB LEU 61 2HB LEU 61 4.331 -10.673 -0.266 474 HG LEU 61 HG LEU 61 2.352 -11.608 0.427 475 1HD1 LEU 61 1HD1 LEU 61 3.087 -10.924 3.271 476 2HD1 LEU 61 2HD1 LEU 61 3.077 -12.528 2.540 477 3HD1 LEU 61 3HD1 LEU 61 1.562 -11.655 2.770 478 1HD2 LEU 61 1HD2 LEU 61 0.923 -9.844 1.165 479 2HD2 LEU 61 2HD2 LEU 61 2.174 -9.141 0.139 480 3HD2 LEU 61 3HD2 LEU 61 2.279 -8.982 1.892 481 H LEU 62 H LEU 62 7.092 -10.072 0.742 482 HA LEU 62 HA LEU 62 7.934 -11.103 -1.691 483 1HB LEU 62 1HB LEU 62 9.470 -9.535 0.374 484 2HB LEU 62 2HB LEU 62 10.044 -9.837 -1.257 485 HG LEU 62 HG LEU 62 7.407 -8.480 -0.764 486 1HD1 LEU 62 1HD1 LEU 62 10.109 -7.157 -0.992 487 2HD1 LEU 62 2HD1 LEU 62 9.094 -7.201 0.448 488 3HD1 LEU 62 3HD1 LEU 62 8.552 -6.331 -0.987 489 1HD2 LEU 62 1HD2 LEU 62 7.772 -9.293 -3.004 490 2HD2 LEU 62 2HD2 LEU 62 9.357 -8.523 -3.066 491 3HD2 LEU 62 3HD2 LEU 62 7.899 -7.534 -2.999 492 H GLU 63 H GLU 63 8.270 -12.501 1.343 493 HA GLU 63 HA GLU 63 10.598 -14.085 0.500 494 1HB GLU 63 1HB GLU 63 10.016 -12.848 2.923 495 2HB GLU 63 2HB GLU 63 9.667 -14.547 3.216 496 1HG GLU 63 1HG GLU 63 12.254 -13.453 2.142 497 2HG GLU 63 2HG GLU 63 11.962 -13.960 3.805 498 H ASP 64 H ASP 64 7.210 -14.204 1.025 499 HA ASP 64 HA ASP 64 6.869 -16.905 1.676 500 1HB ASP 64 1HB ASP 64 5.101 -14.853 0.408 501 2HB ASP 64 2HB ASP 64 4.569 -16.528 0.525 502 H ASP 65 H ASP 65 7.129 -15.300 -1.395 503 HA ASP 65 HA ASP 65 7.533 -16.045 -3.511 504 1HB ASP 65 1HB ASP 65 9.403 -17.246 -2.339 505 2HB ASP 65 2HB ASP 65 8.347 -18.648 -2.200 506 H SER 66 H SER 66 4.947 -16.441 -2.163 507 HA SER 66 HA SER 66 3.892 -18.908 -3.247 508 1HB SER 66 1HB SER 66 2.791 -16.664 -1.598 509 2HB SER 66 2HB SER 66 1.690 -17.788 -2.388 510 HG SER 66 HG SER 66 3.803 -18.519 -0.640 511 H GLY 67 H GLY 67 4.912 -16.526 -4.927 512 1HA GLY 67 1HA GLY 67 4.423 -15.791 -7.055 513 2HA GLY 67 2HA GLY 67 3.026 -16.855 -7.043 514 H PHE 68 H PHE 68 1.023 -16.043 -6.541 515 HA PHE 68 HA PHE 68 0.427 -13.406 -7.113 516 1HB PHE 68 1HB PHE 68 -1.073 -15.561 -6.784 517 2HB PHE 68 2HB PHE 68 -1.292 -14.900 -5.172 518 HD1 PHE 68 HD1 PHE 68 -3.403 -15.398 -7.282 519 HD2 PHE 68 HD2 PHE 68 -1.161 -11.912 -6.274 520 HE1 PHE 68 HE1 PHE 68 -5.223 -13.984 -8.132 521 HE2 PHE 68 HE2 PHE 68 -2.983 -10.502 -7.124 522 HZ PHE 68 HZ PHE 68 -5.015 -11.532 -8.054 523 H VAL 69 H VAL 69 0.929 -14.932 -3.967 524 HA VAL 69 HA VAL 69 0.382 -12.585 -2.444 525 HB VAL 69 HB VAL 69 1.907 -15.032 -1.568 526 1HG1 VAL 69 1HG1 VAL 69 1.004 -14.434 0.658 527 2HG1 VAL 69 2HG1 VAL 69 0.365 -12.946 -0.040 528 3HG1 VAL 69 3HG1 VAL 69 2.105 -13.226 -0.000 529 1HG2 VAL 69 1HG2 VAL 69 -0.274 -15.597 -2.600 530 2HG2 VAL 69 2HG2 VAL 69 -1.064 -14.558 -1.414 531 3HG2 VAL 69 3HG2 VAL 69 -0.188 -15.994 -0.884 532 H ARG 70 H ARG 70 3.356 -14.126 -3.614 533 HA ARG 70 HA ARG 70 5.073 -12.303 -2.208 534 1HB ARG 70 1HB ARG 70 5.616 -14.700 -2.922 535 2HB ARG 70 2HB ARG 70 5.868 -14.043 -4.533 536 1HG ARG 70 1HG ARG 70 7.298 -12.723 -2.307 537 2HG ARG 70 2HG ARG 70 7.836 -14.336 -2.769 538 1HD ARG 70 1HD ARG 70 7.603 -11.928 -4.562 539 2HD ARG 70 2HD ARG 70 9.094 -12.666 -3.982 540 HE ARG 70 HE ARG 70 7.224 -13.918 -5.885 541 1HH1 ARG 70 1HH1 ARG 70 10.410 -13.557 -4.516 542 2HH1 ARG 70 2HH1 ARG 70 11.161 -14.617 -5.661 543 1HH2 ARG 70 1HH2 ARG 70 8.206 -15.315 -7.395 544 2HH2 ARG 70 2HH2 ARG 70 9.909 -15.615 -7.298 545 H SER 71 H SER 71 4.652 -12.874 -5.707 546 HA SER 71 HA SER 71 5.951 -10.636 -6.645 547 1HB SER 71 1HB SER 71 3.516 -11.967 -7.845 548 2HB SER 71 2HB SER 71 4.618 -10.887 -8.700 549 HG SER 71 HG SER 71 5.949 -12.892 -7.454 550 H GLY 72 H GLY 72 2.717 -10.892 -5.347 551 1HA GLY 72 1HA GLY 72 1.709 -8.423 -6.253 552 2HA GLY 72 2HA GLY 72 1.141 -9.305 -4.843 553 H ALA 73 H ALA 73 3.566 -9.285 -3.388 554 HA ALA 73 HA ALA 73 3.339 -6.817 -2.060 555 1HB ALA 73 1HB ALA 73 5.456 -8.954 -1.931 556 2HB ALA 73 2HB ALA 73 4.076 -8.736 -0.854 557 3HB ALA 73 3HB ALA 73 5.392 -7.563 -0.849 558 H ALA 74 H ALA 74 5.584 -8.002 -4.498 559 HA ALA 74 HA ALA 74 7.528 -6.013 -4.342 560 1HB ALA 74 1HB ALA 74 7.754 -8.103 -5.626 561 2HB ALA 74 2HB ALA 74 8.177 -6.675 -6.572 562 3HB ALA 74 3HB ALA 74 6.622 -7.469 -6.821 563 H ARG 75 H ARG 75 4.780 -6.187 -6.616 564 HA ARG 75 HA ARG 75 5.178 -3.691 -7.797 565 1HB ARG 75 1HB ARG 75 2.926 -3.889 -8.645 566 2HB ARG 75 2HB ARG 75 3.705 -5.464 -8.699 567 1HG ARG 75 1HG ARG 75 2.526 -6.126 -6.672 568 2HG ARG 75 2HG ARG 75 1.751 -4.542 -6.600 569 1HD ARG 75 1HD ARG 75 1.313 -6.788 -8.526 570 2HD ARG 75 2HD ARG 75 0.133 -5.850 -7.611 571 HE ARG 75 HE ARG 75 0.537 -4.008 -9.145 572 1HH1 ARG 75 1HH1 ARG 75 1.676 -7.155 -10.115 573 2HH1 ARG 75 2HH1 ARG 75 1.710 -6.765 -11.801 574 1HH2 ARG 75 1HH2 ARG 75 0.581 -3.485 -11.362 575 2HH2 ARG 75 2HH2 ARG 75 1.089 -4.677 -12.511 576 H SER 76 H SER 76 3.719 -4.524 -4.751 577 HA SER 76 HA SER 76 2.126 -2.276 -4.322 578 1HB SER 76 1HB SER 76 3.684 -3.845 -2.261 579 2HB SER 76 2HB SER 76 2.309 -2.789 -1.938 580 HG SER 76 HG SER 76 1.770 -5.048 -2.100 581 H LEU 77 H LEU 77 5.592 -2.747 -3.770 582 HA LEU 77 HA LEU 77 6.080 -0.362 -2.391 583 1HB LEU 77 1HB LEU 77 7.850 -2.007 -4.188 584 2HB LEU 77 2HB LEU 77 8.429 -0.593 -3.329 585 HG LEU 77 HG LEU 77 7.468 -1.863 -1.230 586 1HD1 LEU 77 1HD1 LEU 77 6.461 -3.687 -2.453 587 2HD1 LEU 77 2HD1 LEU 77 7.770 -4.287 -1.435 588 3HD1 LEU 77 3HD1 LEU 77 8.018 -4.099 -3.171 589 1HD2 LEU 77 1HD2 LEU 77 10.043 -2.725 -2.537 590 2HD2 LEU 77 2HD2 LEU 77 9.658 -2.761 -0.816 591 3HD2 LEU 77 3HD2 LEU 77 9.821 -1.216 -1.651 592 H GLU 78 H GLU 78 6.607 -1.032 -5.848 593 HA GLU 78 HA GLU 78 7.249 1.480 -6.728 594 1HB GLU 78 1HB GLU 78 5.555 -0.592 -8.126 595 2HB GLU 78 2HB GLU 78 6.279 0.801 -8.917 596 1HG GLU 78 1HG GLU 78 8.507 -0.030 -8.265 597 2HG GLU 78 2HG GLU 78 7.742 -1.458 -7.573 598 H GLN 79 H GLN 79 4.098 0.273 -5.831 599 HA GLN 79 HA GLN 79 2.564 2.362 -6.985 600 1HB GLN 79 1HB GLN 79 1.967 0.480 -4.700 601 2HB GLN 79 2HB GLN 79 0.788 1.576 -5.407 602 1HG GLN 79 1HG GLN 79 0.622 0.373 -7.346 603 2HG GLN 79 2HG GLN 79 2.239 -0.308 -7.188 604 1HE2 GLN 79 1HE2 GLN 79 -0.019 -0.276 -4.543 605 2HE2 GLN 79 2HE2 GLN 79 -0.323 -1.976 -4.521 606 H ILE 80 H ILE 80 3.973 1.877 -3.775 607 HA ILE 80 HA ILE 80 2.858 4.272 -2.680 608 HB ILE 80 HB ILE 80 5.193 2.641 -1.676 609 1HG1 ILE 80 1HG1 ILE 80 2.234 2.472 -1.065 610 2HG1 ILE 80 2HG1 ILE 80 3.214 1.251 -1.868 611 1HG2 ILE 80 1HG2 ILE 80 3.414 4.550 -0.169 612 2HG2 ILE 80 2HG2 ILE 80 5.021 4.948 -0.769 613 3HG2 ILE 80 3HG2 ILE 80 4.823 3.692 0.452 614 1HD1 ILE 80 1HD1 ILE 80 3.390 2.112 1.007 615 2HD1 ILE 80 2HD1 ILE 80 4.515 1.001 0.227 616 3HD1 ILE 80 3HD1 ILE 80 2.813 0.566 0.382 617 H GLY 81 H GLY 81 6.240 3.369 -3.402 618 1HA GLY 81 1HA GLY 81 8.020 4.623 -4.124 619 2HA GLY 81 2HA GLY 81 6.843 5.731 -4.810 620 H GLY 82 H GLY 82 9.344 5.498 -2.683 621 1HA GLY 82 1HA GLY 82 9.649 7.964 -1.836 622 2HA GLY 82 2HA GLY 82 8.295 7.497 -0.819 623 H GLU 83 H GLU 83 10.069 8.183 0.761 624 HA GLU 83 HA GLU 83 12.245 6.419 1.231 625 1HB GLU 83 1HB GLU 83 12.547 7.633 3.310 626 2HB GLU 83 2HB GLU 83 12.208 8.764 2.007 627 1HG GLU 83 1HG GLU 83 9.880 8.914 2.754 628 2HG GLU 83 2HG GLU 83 10.241 7.800 4.072 629 H ARG 84 H ARG 84 8.924 6.506 2.263 630 HA ARG 84 HA ARG 84 8.953 4.883 4.494 631 1HB ARG 84 1HB ARG 84 6.738 4.222 2.708 632 2HB ARG 84 2HB ARG 84 6.708 4.904 4.324 633 1HG ARG 84 1HG ARG 84 5.695 6.531 3.030 634 2HG ARG 84 2HG ARG 84 7.353 7.116 3.182 635 1HD ARG 84 1HD ARG 84 7.885 6.490 0.973 636 2HD ARG 84 2HD ARG 84 6.469 5.449 0.843 637 HE ARG 84 HE ARG 84 5.160 7.308 0.394 638 1HH1 ARG 84 1HH1 ARG 84 8.402 8.276 1.237 639 2HH1 ARG 84 2HH1 ARG 84 8.196 9.904 0.686 640 1HH2 ARG 84 1HH2 ARG 84 4.883 9.450 -0.334 641 2HH2 ARG 84 2HH2 ARG 84 6.196 10.572 -0.205 642 H VAL 85 H VAL 85 8.239 3.768 1.204 643 HA VAL 85 HA VAL 85 8.597 1.023 1.867 644 HB VAL 85 HB VAL 85 8.895 1.225 -0.906 645 1HG1 VAL 85 1HG1 VAL 85 6.384 0.598 -0.786 646 2HG1 VAL 85 2HG1 VAL 85 6.644 0.594 0.957 647 3HG1 VAL 85 3HG1 VAL 85 7.579 -0.486 -0.076 648 1HG2 VAL 85 1HG2 VAL 85 8.335 3.617 -0.737 649 2HG2 VAL 85 2HG2 VAL 85 6.817 3.190 0.051 650 3HG2 VAL 85 3HG2 VAL 85 7.110 2.704 -1.618 651 H ARG 86 H ARG 86 10.728 3.551 0.985 652 HA ARG 86 HA ARG 86 12.776 2.170 -0.315 653 1HB ARG 86 1HB ARG 86 12.572 4.680 0.067 654 2HB ARG 86 2HB ARG 86 13.230 4.395 1.671 655 1HG ARG 86 1HG ARG 86 15.235 3.387 0.613 656 2HG ARG 86 2HG ARG 86 14.579 3.840 -0.961 657 1HD ARG 86 1HD ARG 86 16.191 5.490 -0.218 658 2HD ARG 86 2HD ARG 86 14.575 6.194 -0.271 659 HE ARG 86 HE ARG 86 15.198 5.191 2.320 660 1HH1 ARG 86 1HH1 ARG 86 15.763 7.862 0.157 661 2HH1 ARG 86 2HH1 ARG 86 16.061 8.999 1.430 662 1HH2 ARG 86 1HH2 ARG 86 15.588 6.682 4.005 663 2HH2 ARG 86 2HH2 ARG 86 15.960 8.328 3.616 664 H ALA 87 H ALA 87 11.785 2.176 2.997 665 HA ALA 87 HA ALA 87 14.225 0.954 3.968 666 1HB ALA 87 1HB ALA 87 12.998 2.516 5.399 667 2HB ALA 87 2HB ALA 87 13.095 0.915 6.134 668 3HB ALA 87 3HB ALA 87 11.597 1.446 5.369 669 H ALA 88 H ALA 88 11.111 0.030 2.801 670 HA ALA 88 HA ALA 88 10.990 -2.576 3.902 671 1HB ALA 88 1HB ALA 88 9.011 -1.427 3.051 672 2HB ALA 88 2HB ALA 88 9.241 -2.975 2.239 673 3HB ALA 88 3HB ALA 88 9.676 -1.476 1.418 674 H MET 89 H MET 89 12.079 -1.322 0.749 675 HA MET 89 HA MET 89 12.815 -3.878 -0.243 676 1HB MET 89 1HB MET 89 13.844 -2.722 -2.079 677 2HB MET 89 2HB MET 89 12.325 -1.935 -1.709 678 1HG MET 89 1HG MET 89 13.841 -0.229 -2.165 679 2HG MET 89 2HG MET 89 13.677 -0.240 -0.409 680 1HE MET 89 1HE MET 89 16.042 1.222 -0.164 681 2HE MET 89 2HE MET 89 15.873 1.289 -1.917 682 3HE MET 89 3HE MET 89 17.416 0.831 -1.198 683 H GLU 90 H GLU 90 14.379 -1.523 1.761 684 HA GLU 90 HA GLU 90 17.036 -2.483 1.425 685 1HB GLU 90 1HB GLU 90 15.684 -0.822 3.542 686 2HB GLU 90 2HB GLU 90 17.354 -1.342 3.721 687 1HG GLU 90 1HG GLU 90 17.926 -0.211 1.629 688 2HG GLU 90 2HG GLU 90 16.255 0.323 1.471 689 H LYS 91 H LYS 91 14.320 -3.339 3.435 690 HA LYS 91 HA LYS 91 15.798 -5.112 5.143 691 1HB LYS 91 1HB LYS 91 13.642 -3.976 5.778 692 2HB LYS 91 2HB LYS 91 12.816 -5.060 4.666 693 1HG LYS 91 1HG LYS 91 12.571 -5.965 6.839 694 2HG LYS 91 2HG LYS 91 13.740 -6.975 5.987 695 1HD LYS 91 1HD LYS 91 15.556 -5.633 7.080 696 2HD LYS 91 2HD LYS 91 14.308 -4.857 8.056 697 1HE LYS 91 1HE LYS 91 15.382 -6.716 9.244 698 2HE LYS 91 2HE LYS 91 13.662 -7.004 8.982 699 1HZ LYS 91 1HZ LYS 91 14.973 -8.978 8.514 700 2HZ LYS 91 2HZ LYS 91 15.872 -8.138 7.353 701 3HZ LYS 91 3HZ LYS 91 14.222 -8.418 7.105 702 H LEU 92 H LEU 92 14.138 -5.371 2.085 703 HA LEU 92 HA LEU 92 14.140 -8.262 2.141 704 1HB LEU 92 1HB LEU 92 12.354 -7.716 0.877 705 2HB LEU 92 2HB LEU 92 12.998 -6.137 0.471 706 HG LEU 92 HG LEU 92 14.491 -7.302 -1.200 707 1HD1 LEU 92 1HD1 LEU 92 12.564 -9.591 -0.866 708 2HD1 LEU 92 2HD1 LEU 92 14.169 -9.571 -0.139 709 3HD1 LEU 92 3HD1 LEU 92 13.996 -9.515 -1.893 710 1HD2 LEU 92 1HD2 LEU 92 12.908 -7.100 -2.866 711 2HD2 LEU 92 2HD2 LEU 92 12.180 -6.153 -1.567 712 3HD2 LEU 92 3HD2 LEU 92 11.626 -7.799 -1.878 713 H ALA 93 H ALA 93 16.050 -5.627 0.925 714 HA ALA 93 HA ALA 93 17.615 -7.035 -0.951 715 1HB ALA 93 1HB ALA 93 19.217 -5.163 -0.685 716 2HB ALA 93 2HB ALA 93 18.243 -4.562 0.658 717 3HB ALA 93 3HB ALA 93 17.562 -4.627 -0.967 718 H GLU 94 H GLU 94 17.560 -7.002 2.477 719 HA GLU 94 HA GLU 94 20.268 -7.926 2.841 720 1HB GLU 94 1HB GLU 94 18.978 -6.596 4.556 721 2HB GLU 94 2HB GLU 94 17.984 -8.022 4.821 722 1HG GLU 94 1HG GLU 94 19.973 -9.274 5.506 723 2HG GLU 94 2HG GLU 94 20.956 -7.830 5.261 724 H THR 95 H THR 95 17.127 -9.270 2.332 725 HA THR 95 HA THR 95 18.232 -11.995 2.601 726 HB THR 95 HB THR 95 15.884 -12.759 2.933 727 HG1 THR 95 HG1 THR 95 15.076 -10.161 3.568 728 1HG2 THR 95 1HG2 THR 95 17.361 -12.352 4.861 729 2HG2 THR 95 2HG2 THR 95 15.672 -12.019 5.242 730 3HG2 THR 95 3HG2 THR 95 16.786 -10.686 4.937 731 H GLY 96 H GLY 96 18.231 -10.062 0.340 732 1HA GLY 96 1HA GLY 96 16.350 -10.638 -1.621 733 2HA GLY 96 2HA GLY 96 17.995 -10.109 -1.934 734 H THR 97 H THR 97 15.801 -12.488 -2.486 735 HA THR 97 HA THR 97 17.906 -14.309 -3.397 736 HB THR 97 HB THR 97 17.259 -15.329 -1.333 737 HG1 THR 97 HG1 THR 97 17.108 -16.546 -3.554 738 1HG2 THR 97 1HG2 THR 97 15.198 -14.243 -0.830 739 2HG2 THR 97 2HG2 THR 97 14.857 -15.970 -0.935 740 3HG2 THR 97 3HG2 THR 97 14.426 -14.904 -2.271 741 H GLY 98 H GLY 98 17.569 -15.020 -5.409 742 1HA GLY 98 1HA GLY 98 16.568 -15.343 -7.448 743 2HA GLY 98 2HA GLY 98 15.107 -15.706 -6.543 744 H PHE 99 H PHE 99 13.559 -14.647 -7.611 745 HA PHE 99 HA PHE 99 13.896 -12.143 -8.888 746 1HB PHE 99 1HB PHE 99 12.193 -13.530 -9.744 747 2HB PHE 99 2HB PHE 99 11.497 -13.806 -8.153 748 HD1 PHE 99 HD1 PHE 99 11.917 -11.297 -10.835 749 HD2 PHE 99 HD2 PHE 99 9.831 -12.390 -7.290 750 HE1 PHE 99 HE1 PHE 99 10.297 -9.487 -11.232 751 HE2 PHE 99 HE2 PHE 99 8.209 -10.583 -7.681 752 HZ PHE 99 HZ PHE 99 8.440 -9.129 -9.654 753 H ALA 100 H ALA 100 12.855 -13.076 -5.681 754 HA ALA 100 HA ALA 100 11.545 -10.791 -4.829 755 1HB ALA 100 1HB ALA 100 13.364 -12.586 -3.230 756 2HB ALA 100 2HB ALA 100 11.636 -12.816 -3.499 757 3HB ALA 100 3HB ALA 100 12.206 -11.438 -2.557 758 H ARG 101 H ARG 101 14.958 -11.303 -5.344 759 HA ARG 101 HA ARG 101 15.820 -9.027 -3.838 760 1HB ARG 101 1HB ARG 101 17.302 -10.931 -4.249 761 2HB ARG 101 2HB ARG 101 17.241 -10.603 -5.975 762 1HG ARG 101 1HG ARG 101 18.665 -8.846 -5.837 763 2HG ARG 101 2HG ARG 101 18.123 -8.392 -4.220 764 1HD ARG 101 1HD ARG 101 20.445 -9.255 -4.275 765 2HD ARG 101 2HD ARG 101 19.370 -10.194 -3.238 766 HE ARG 101 HE ARG 101 19.413 -11.357 -5.791 767 1HH1 ARG 101 1HH1 ARG 101 21.488 -10.872 -3.036 768 2HH1 ARG 101 2HH1 ARG 101 22.429 -12.296 -3.330 769 1HH2 ARG 101 1HH2 ARG 101 20.645 -13.236 -6.187 770 2HH2 ARG 101 2HH2 ARG 101 21.949 -13.641 -5.122 771 H LYS 102 H LYS 102 15.668 -9.685 -7.347 772 HA LYS 102 HA LYS 102 16.442 -7.234 -8.311 773 1HB LYS 102 1HB LYS 102 16.034 -9.070 -9.817 774 2HB LYS 102 2HB LYS 102 14.331 -9.113 -9.383 775 1HG LYS 102 1HG LYS 102 14.003 -6.930 -10.415 776 2HG LYS 102 2HG LYS 102 15.716 -6.864 -10.831 777 1HD LYS 102 1HD LYS 102 15.508 -8.675 -12.348 778 2HD LYS 102 2HD LYS 102 13.893 -9.073 -11.757 779 1HE LYS 102 1HE LYS 102 13.073 -6.917 -12.616 780 2HE LYS 102 2HE LYS 102 14.682 -6.572 -13.247 781 1HZ LYS 102 1HZ LYS 102 14.472 -8.616 -14.605 782 2HZ LYS 102 2HZ LYS 102 13.344 -7.421 -15.006 783 3HZ LYS 102 3HZ LYS 102 12.865 -8.760 -14.092 784 H VAL 103 H VAL 103 13.501 -8.113 -6.742 785 HA VAL 103 HA VAL 103 11.810 -6.033 -7.520 786 HB VAL 103 HB VAL 103 11.999 -7.648 -4.985 787 1HG1 VAL 103 1HG1 VAL 103 9.717 -6.765 -4.452 788 2HG1 VAL 103 2HG1 VAL 103 9.955 -5.548 -5.706 789 3HG1 VAL 103 3HG1 VAL 103 11.012 -5.579 -4.294 790 1HG2 VAL 103 1HG2 VAL 103 10.073 -8.797 -5.843 791 2HG2 VAL 103 2HG2 VAL 103 11.311 -8.761 -7.098 792 3HG2 VAL 103 3HG2 VAL 103 9.936 -7.661 -7.184 793 H ALA 104 H ALA 104 13.736 -6.266 -4.530 794 HA ALA 104 HA ALA 104 13.315 -3.626 -3.668 795 1HB ALA 104 1HB ALA 104 14.034 -5.210 -2.079 796 2HB ALA 104 2HB ALA 104 15.371 -4.077 -2.259 797 3HB ALA 104 3HB ALA 104 15.441 -5.656 -3.042 798 H VAL 105 H VAL 105 16.170 -5.066 -5.137 799 HA VAL 105 HA VAL 105 17.816 -2.875 -5.321 800 HB VAL 105 HB VAL 105 17.651 -5.153 -7.293 801 1HG1 VAL 105 1HG1 VAL 105 19.001 -3.341 -8.155 802 2HG1 VAL 105 2HG1 VAL 105 20.042 -4.679 -7.670 803 3HG1 VAL 105 3HG1 VAL 105 19.901 -3.253 -6.642 804 1HG2 VAL 105 1HG2 VAL 105 19.142 -4.872 -4.689 805 2HG2 VAL 105 2HG2 VAL 105 19.435 -6.150 -5.869 806 3HG2 VAL 105 3HG2 VAL 105 17.867 -6.029 -5.072 807 H ASN 106 H ASN 106 15.686 -4.081 -7.934 808 HA ASN 106 HA ASN 106 16.300 -1.905 -9.660 809 1HB ASN 106 1HB ASN 106 15.567 -4.050 -10.549 810 2HB ASN 106 2HB ASN 106 14.008 -3.872 -9.750 811 1HD2 ASN 106 1HD2 ASN 106 12.815 -3.935 -11.608 812 2HD2 ASN 106 2HD2 ASN 106 12.832 -2.671 -12.786 813 H TYR 107 H TYR 107 13.846 -2.379 -7.203 814 HA TYR 107 HA TYR 107 11.990 -0.476 -8.137 815 1HB TYR 107 1HB TYR 107 11.136 -1.992 -6.587 816 2HB TYR 107 2HB TYR 107 12.505 -1.799 -5.500 817 HD1 TYR 107 HD1 TYR 107 12.238 -0.561 -3.629 818 HD2 TYR 107 HD2 TYR 107 9.723 0.238 -6.944 819 HE1 TYR 107 HE1 TYR 107 11.025 1.107 -2.288 820 HE2 TYR 107 HE2 TYR 107 8.497 1.908 -5.627 821 HH TYR 107 HH TYR 107 9.629 3.101 -2.667 822 H LEU 108 H LEU 108 14.533 -0.283 -5.676 823 HA LEU 108 HA LEU 108 14.119 2.297 -4.805 824 1HB LEU 108 1HB LEU 108 16.441 2.275 -4.084 825 2HB LEU 108 2HB LEU 108 15.627 0.781 -3.699 826 HG LEU 108 HG LEU 108 16.726 0.026 -5.990 827 1HD1 LEU 108 1HD1 LEU 108 18.963 0.960 -6.241 828 2HD1 LEU 108 2HD1 LEU 108 18.625 2.126 -4.963 829 3HD1 LEU 108 3HD1 LEU 108 17.727 2.195 -6.479 830 1HD2 LEU 108 1HD2 LEU 108 18.629 -0.850 -4.661 831 2HD2 LEU 108 2HD2 LEU 108 17.057 -1.119 -3.907 832 3HD2 LEU 108 3HD2 LEU 108 18.108 0.169 -3.320 833 H GLU 109 H GLU 109 15.159 1.351 -7.907 834 HA GLU 109 HA GLU 109 16.807 3.523 -8.601 835 1HB GLU 109 1HB GLU 109 16.476 1.426 -9.949 836 2HB GLU 109 2HB GLU 109 14.910 2.053 -10.439 837 1HG GLU 109 1HG GLU 109 16.036 4.003 -11.437 838 2HG GLU 109 2HG GLU 109 17.592 3.292 -11.008 839 H THR 110 H THR 110 13.537 3.388 -7.823 840 HA THR 110 HA THR 110 13.093 6.078 -8.932 841 HB THR 110 HB THR 110 10.655 4.507 -8.515 842 HG1 THR 110 HG1 THR 110 12.117 2.889 -9.365 843 1HG2 THR 110 1HG2 THR 110 10.847 6.749 -9.626 844 2HG2 THR 110 2HG2 THR 110 10.001 5.529 -10.578 845 3HG2 THR 110 3HG2 THR 110 11.671 5.946 -10.963 846 H HIS 111 H HIS 111 13.797 4.667 -6.229 847 HA HIS 111 HA HIS 111 13.533 5.150 -4.026 848 1HB HIS 111 1HB HIS 111 11.766 7.416 -4.963 849 2HB HIS 111 2HB HIS 111 12.486 7.249 -3.366 850 HD1 HIS 111 HD1 HIS 111 15.001 7.804 -3.139 851 HD2 HIS 111 HD2 HIS 111 13.498 8.302 -6.981 852 HE1 HIS 111 HE1 HIS 111 16.770 9.078 -4.393 853 HE2 HIS 111 HE2 HIS 111 15.873 9.299 -6.737 Start of MODEL 2 1 H MET 1 H MET 1 -10.947 4.395 18.663 2 HA MET 1 HA MET 1 -13.150 3.526 19.182 3 1HB MET 1 1HB MET 1 -11.964 3.244 21.952 4 2HB MET 1 2HB MET 1 -13.671 3.077 21.567 5 1HG MET 1 1HG MET 1 -13.175 1.159 20.152 6 2HG MET 1 2HG MET 1 -11.458 1.334 20.509 7 1HE MET 1 1HE MET 1 -11.089 -1.202 21.634 8 2HE MET 1 2HE MET 1 -12.600 -1.304 20.733 9 3HE MET 1 3HE MET 1 -12.509 -1.943 22.374 10 H ALA 2 H ALA 2 -10.887 5.804 20.222 11 HA ALA 2 HA ALA 2 -13.012 7.674 21.039 12 1HB ALA 2 1HB ALA 2 -10.063 7.827 21.648 13 2HB ALA 2 2HB ALA 2 -11.308 7.253 22.756 14 3HB ALA 2 3HB ALA 2 -11.309 8.934 22.223 15 H ASP 3 H ASP 3 -13.435 7.953 18.721 16 HA ASP 3 HA ASP 3 -13.270 9.043 16.731 17 1HB ASP 3 1HB ASP 3 -11.787 11.070 18.419 18 2HB ASP 3 2HB ASP 3 -12.542 11.378 16.859 19 H GLU 4 H GLU 4 -11.893 7.445 15.795 20 HA GLU 4 HA GLU 4 -9.443 8.533 14.793 21 1HB GLU 4 1HB GLU 4 -8.661 7.675 16.963 22 2HB GLU 4 2HB GLU 4 -9.294 6.086 16.562 23 1HG GLU 4 1HG GLU 4 -7.736 5.967 14.664 24 2HG GLU 4 2HG GLU 4 -7.075 7.533 15.133 25 H ASN 5 H ASN 5 -10.822 5.285 15.343 26 HA ASN 5 HA ASN 5 -10.975 4.955 12.424 27 1HB ASN 5 1HB ASN 5 -9.004 3.739 13.502 28 2HB ASN 5 2HB ASN 5 -10.199 2.708 14.283 29 1HD2 ASN 5 1HD2 ASN 5 -9.572 0.858 13.234 30 2HD2 ASN 5 2HD2 ASN 5 -9.832 0.600 11.545 31 H LYS 6 H LYS 6 -13.154 5.198 12.254 32 HA LYS 6 HA LYS 6 -14.788 3.094 13.477 33 1HB LYS 6 1HB LYS 6 -15.499 6.033 13.434 34 2HB LYS 6 2HB LYS 6 -16.591 4.741 13.916 35 1HG LYS 6 1HG LYS 6 -15.154 4.189 15.788 36 2HG LYS 6 2HG LYS 6 -13.995 5.421 15.285 37 1HD LYS 6 1HD LYS 6 -15.708 7.149 15.613 38 2HD LYS 6 2HD LYS 6 -16.850 5.910 16.136 39 1HE LYS 6 1HE LYS 6 -15.361 5.347 18.005 40 2HE LYS 6 2HE LYS 6 -14.243 6.607 17.485 41 1HZ LYS 6 1HZ LYS 6 -15.674 7.354 19.291 42 2HZ LYS 6 2HZ LYS 6 -17.050 7.051 18.354 43 3HZ LYS 6 3HZ LYS 6 -15.958 8.254 17.886 44 H TRP 7 H TRP 7 -17.097 3.213 12.438 45 HA TRP 7 HA TRP 7 -18.352 2.876 10.567 46 1HB TRP 7 1HB TRP 7 -16.664 5.071 9.345 47 2HB TRP 7 2HB TRP 7 -18.268 4.560 8.827 48 HD1 TRP 7 HD1 TRP 7 -16.536 6.385 11.752 49 HE1 TRP 7 HE1 TRP 7 -18.273 7.898 12.899 50 HE3 TRP 7 HE3 TRP 7 -20.697 4.959 9.154 51 HZ2 TRP 7 HZ2 TRP 7 -21.041 8.419 12.723 52 HZ3 TRP 7 HZ3 TRP 7 -22.852 6.011 9.701 53 HH2 TRP 7 HH2 TRP 7 -23.019 7.707 11.450 54 H VAL 8 H VAL 8 -15.757 1.483 10.936 55 HA VAL 8 HA VAL 8 -14.973 0.956 8.156 56 HB VAL 8 HB VAL 8 -13.632 -0.021 10.680 57 1HG1 VAL 8 1HG1 VAL 8 -12.698 0.085 7.815 58 2HG1 VAL 8 2HG1 VAL 8 -13.109 -1.364 8.732 59 3HG1 VAL 8 3HG1 VAL 8 -11.709 -0.396 9.193 60 1HG2 VAL 8 1HG2 VAL 8 -13.641 2.437 10.559 61 2HG2 VAL 8 2HG2 VAL 8 -12.889 2.346 8.966 62 3HG2 VAL 8 3HG2 VAL 8 -12.022 1.761 10.385 63 H ARG 9 H ARG 9 -15.022 -1.080 7.262 64 HA ARG 9 HA ARG 9 -15.786 -3.174 6.832 65 1HB ARG 9 1HB ARG 9 -14.307 -3.587 8.877 66 2HB ARG 9 2HB ARG 9 -15.796 -3.651 9.808 67 1HG ARG 9 1HG ARG 9 -16.568 -5.544 8.541 68 2HG ARG 9 2HG ARG 9 -15.172 -5.436 7.466 69 1HD ARG 9 1HD ARG 9 -14.865 -7.200 9.121 70 2HD ARG 9 2HD ARG 9 -13.685 -5.909 9.343 71 HE ARG 9 HE ARG 9 -15.861 -5.362 10.994 72 1HH1 ARG 9 1HH1 ARG 9 -13.355 -7.766 10.671 73 2HH1 ARG 9 2HH1 ARG 9 -13.319 -8.139 12.362 74 1HH2 ARG 9 1HH2 ARG 9 -15.814 -5.850 13.221 75 2HH2 ARG 9 2HH2 ARG 9 -14.714 -7.052 13.807 76 H ARG 10 H ARG 10 -17.666 -0.902 7.875 77 HA ARG 10 HA ARG 10 -19.920 -2.236 8.949 78 1HB ARG 10 1HB ARG 10 -19.700 0.350 7.399 79 2HB ARG 10 2HB ARG 10 -21.192 -0.223 8.128 80 1HG ARG 10 1HG ARG 10 -19.893 -0.269 10.325 81 2HG ARG 10 2HG ARG 10 -18.683 0.699 9.480 82 1HD ARG 10 1HD ARG 10 -21.569 1.383 9.996 83 2HD ARG 10 2HD ARG 10 -20.136 2.211 10.607 84 HE ARG 10 HE ARG 10 -19.716 2.760 8.171 85 1HH1 ARG 10 1HH1 ARG 10 -22.911 2.273 9.477 86 2HH1 ARG 10 2HH1 ARG 10 -23.686 3.273 8.296 87 1HH2 ARG 10 1HH2 ARG 10 -20.729 4.084 6.616 88 2HH2 ARG 10 2HH2 ARG 10 -22.446 4.305 6.670 89 H ASP 11 H ASP 11 -20.723 -3.955 7.896 90 HA ASP 11 HA ASP 11 -21.854 -5.155 6.322 91 1HB ASP 11 1HB ASP 11 -23.139 -3.028 6.038 92 2HB ASP 11 2HB ASP 11 -22.009 -2.573 4.766 93 H VAL 12 H VAL 12 -18.921 -3.713 5.847 94 HA VAL 12 HA VAL 12 -18.455 -4.441 3.110 95 HB VAL 12 HB VAL 12 -16.423 -3.768 5.241 96 1HG1 VAL 12 1HG1 VAL 12 -15.359 -4.826 3.390 97 2HG1 VAL 12 2HG1 VAL 12 -15.059 -3.093 3.251 98 3HG1 VAL 12 3HG1 VAL 12 -16.279 -3.861 2.235 99 1HG2 VAL 12 1HG2 VAL 12 -17.871 -1.980 3.290 100 2HG2 VAL 12 2HG2 VAL 12 -16.483 -1.491 4.260 101 3HG2 VAL 12 3HG2 VAL 12 -17.992 -1.948 5.049 102 H SER 13 H SER 13 -17.762 -6.312 2.315 103 HA SER 13 HA SER 13 -16.159 -8.162 3.788 104 1HB SER 13 1HB SER 13 -17.757 -10.031 3.811 105 2HB SER 13 2HB SER 13 -18.357 -8.683 4.776 106 HG SER 13 HG SER 13 -20.060 -8.806 3.567 107 H THR 14 H THR 14 -17.783 -7.067 0.999 108 HA THR 14 HA THR 14 -16.112 -8.801 -0.677 109 HB THR 14 HB THR 14 -17.977 -9.035 -2.305 110 HG1 THR 14 HG1 THR 14 -20.105 -8.687 -0.904 111 1HG2 THR 14 1HG2 THR 14 -17.493 -10.860 -0.763 112 2HG2 THR 14 2HG2 THR 14 -19.229 -10.742 -1.047 113 3HG2 THR 14 3HG2 THR 14 -18.538 -10.129 0.454 114 H ALA 15 H ALA 15 -17.244 -5.772 0.141 115 HA ALA 15 HA ALA 15 -16.961 -4.543 -2.463 116 1HB ALA 15 1HB ALA 15 -17.485 -2.459 -1.304 117 2HB ALA 15 2HB ALA 15 -17.395 -3.294 0.247 118 3HB ALA 15 3HB ALA 15 -18.654 -3.720 -0.912 119 H LEU 16 H LEU 16 -14.797 -5.664 -0.274 120 HA LEU 16 HA LEU 16 -12.953 -3.723 0.279 121 1HB LEU 16 1HB LEU 16 -11.280 -5.430 0.397 122 2HB LEU 16 2HB LEU 16 -12.793 -6.082 0.997 123 HG LEU 16 HG LEU 16 -11.900 -6.558 -1.834 124 1HD1 LEU 16 1HD1 LEU 16 -11.009 -8.731 -1.037 125 2HD1 LEU 16 2HD1 LEU 16 -11.190 -8.156 0.620 126 3HD1 LEU 16 3HD1 LEU 16 -10.079 -7.341 -0.480 127 1HD2 LEU 16 1HD2 LEU 16 -13.775 -7.985 0.046 128 2HD2 LEU 16 2HD2 LEU 16 -13.322 -8.568 -1.555 129 3HD2 LEU 16 3HD2 LEU 16 -14.210 -7.055 -1.387 130 H SER 17 H SER 17 -13.849 -4.807 -2.832 131 HA SER 17 HA SER 17 -11.627 -4.562 -4.398 132 1HB SER 17 1HB SER 17 -14.391 -3.488 -5.004 133 2HB SER 17 2HB SER 17 -13.128 -3.771 -6.201 134 HG SER 17 HG SER 17 -14.760 -5.491 -5.857 135 H ARG 18 H ARG 18 -13.634 -1.914 -3.152 136 HA ARG 18 HA ARG 18 -11.451 -0.144 -2.968 137 1HB ARG 18 1HB ARG 18 -11.902 -0.291 -5.502 138 2HB ARG 18 2HB ARG 18 -13.345 0.655 -5.162 139 1HG ARG 18 1HG ARG 18 -11.544 2.090 -5.877 140 2HG ARG 18 2HG ARG 18 -11.949 2.414 -4.189 141 1HD ARG 18 1HD ARG 18 -9.544 2.381 -4.469 142 2HD ARG 18 2HD ARG 18 -10.054 1.009 -3.487 143 HE ARG 18 HE ARG 18 -9.820 0.389 -6.281 144 1HH1 ARG 18 1HH1 ARG 18 -8.092 0.662 -3.266 145 2HH1 ARG 18 2HH1 ARG 18 -6.838 -0.434 -3.737 146 1HH2 ARG 18 1HH2 ARG 18 -8.169 -1.052 -6.911 147 2HH2 ARG 18 2HH2 ARG 18 -6.879 -1.406 -5.810 148 H MET 19 H MET 19 -12.167 0.486 -1.010 149 HA MET 19 HA MET 19 -14.678 2.015 -0.940 150 1HB MET 19 1HB MET 19 -13.711 0.069 1.164 151 2HB MET 19 2HB MET 19 -15.080 1.155 1.356 152 1HG MET 19 1HG MET 19 -14.852 -1.038 -0.692 153 2HG MET 19 2HG MET 19 -15.781 -1.113 0.804 154 1HE MET 19 1HE MET 19 -17.835 0.419 1.333 155 2HE MET 19 2HE MET 19 -18.573 1.542 0.193 156 3HE MET 19 3HE MET 19 -16.998 1.909 0.896 157 H GLY 20 H GLY 20 -11.418 1.525 0.151 158 1HA GLY 20 1HA GLY 20 -10.065 3.508 0.549 159 2HA GLY 20 2HA GLY 20 -11.459 4.225 1.344 160 H ASP 21 H ASP 21 -10.867 4.511 3.404 161 HA ASP 21 HA ASP 21 -9.094 2.770 4.792 162 1HB ASP 21 1HB ASP 21 -9.347 5.179 5.336 163 2HB ASP 21 2HB ASP 21 -10.978 4.854 5.919 164 H GLU 22 H GLU 22 -12.428 2.694 4.132 165 HA GLU 22 HA GLU 22 -13.302 1.253 6.434 166 1HB GLU 22 1HB GLU 22 -14.596 1.266 3.707 167 2HB GLU 22 2HB GLU 22 -15.364 0.949 5.256 168 1HG GLU 22 1HG GLU 22 -14.975 3.261 5.925 169 2HG GLU 22 2HG GLU 22 -14.207 3.580 4.371 170 H ALA 23 H ALA 23 -11.891 0.392 3.374 171 HA ALA 23 HA ALA 23 -12.350 -2.454 3.912 172 1HB ALA 23 1HB ALA 23 -13.013 -1.553 1.700 173 2HB ALA 23 2HB ALA 23 -11.827 -2.854 1.602 174 3HB ALA 23 3HB ALA 23 -11.319 -1.179 1.385 175 H PHE 24 H PHE 24 -10.137 -0.300 4.786 176 HA PHE 24 HA PHE 24 -7.669 -1.331 3.949 177 1HB PHE 24 1HB PHE 24 -8.346 0.825 5.363 178 2HB PHE 24 2HB PHE 24 -7.932 -0.234 6.707 179 HD1 PHE 24 HD1 PHE 24 -5.811 -1.654 4.696 180 HD2 PHE 24 HD2 PHE 24 -6.501 2.277 6.170 181 HE1 PHE 24 HE1 PHE 24 -3.448 -1.124 4.371 182 HE2 PHE 24 HE2 PHE 24 -4.127 2.814 5.843 183 HZ PHE 24 HZ PHE 24 -2.593 1.109 4.939 184 H GLU 25 H GLU 25 -9.467 -1.902 6.947 185 HA GLU 25 HA GLU 25 -7.789 -3.924 7.934 186 1HB GLU 25 1HB GLU 25 -10.529 -2.974 8.535 187 2HB GLU 25 2HB GLU 25 -10.074 -4.573 9.095 188 1HG GLU 25 1HG GLU 25 -8.114 -3.568 10.231 189 2HG GLU 25 2HG GLU 25 -8.702 -1.978 9.746 190 HA PRO 26 HA PRO 26 -11.288 -7.049 6.154 191 1HB PRO 26 1HB PRO 26 -11.583 -5.393 3.672 192 2HB PRO 26 2HB PRO 26 -12.739 -6.501 4.423 193 1HG PRO 26 1HG PRO 26 -12.994 -3.874 4.739 194 2HG PRO 26 2HG PRO 26 -13.320 -4.986 6.081 195 1HD PRO 26 1HD PRO 26 -11.017 -3.160 5.656 196 2HD PRO 26 2HD PRO 26 -11.735 -3.742 7.169 197 H LEU 27 H LEU 27 -8.921 -5.103 4.531 198 HA LEU 27 HA LEU 27 -8.023 -7.084 2.678 199 1HB LEU 27 1HB LEU 27 -6.976 -4.466 3.697 200 2HB LEU 27 2HB LEU 27 -6.004 -5.465 2.626 201 HG LEU 27 HG LEU 27 -8.747 -4.393 1.943 202 1HD1 LEU 27 1HD1 LEU 27 -7.161 -2.571 2.164 203 2HD1 LEU 27 2HD1 LEU 27 -7.549 -2.844 0.465 204 3HD1 LEU 27 3HD1 LEU 27 -6.015 -3.416 1.124 205 1HD2 LEU 27 1HD2 LEU 27 -8.189 -5.080 -0.328 206 2HD2 LEU 27 2HD2 LEU 27 -8.161 -6.459 0.770 207 3HD2 LEU 27 3HD2 LEU 27 -6.649 -5.727 0.235 208 H LEU 28 H LEU 28 -6.631 -5.664 5.626 209 HA LEU 28 HA LEU 28 -4.461 -7.421 5.868 210 1HB LEU 28 1HB LEU 28 -4.450 -5.359 7.071 211 2HB LEU 28 2HB LEU 28 -5.949 -5.751 7.886 212 HG LEU 28 HG LEU 28 -4.811 -7.517 9.154 213 1HD1 LEU 28 1HD1 LEU 28 -3.100 -8.083 7.491 214 2HD1 LEU 28 2HD1 LEU 28 -2.394 -7.750 9.071 215 3HD1 LEU 28 3HD1 LEU 28 -2.304 -6.539 7.793 216 1HD2 LEU 28 1HD2 LEU 28 -3.541 -6.088 10.613 217 2HD2 LEU 28 2HD2 LEU 28 -4.941 -5.198 10.012 218 3HD2 LEU 28 3HD2 LEU 28 -3.342 -4.893 9.332 219 H GLU 29 H GLU 29 -7.797 -7.834 6.521 220 HA GLU 29 HA GLU 29 -7.474 -9.971 8.417 221 1HB GLU 29 1HB GLU 29 -9.446 -8.558 8.543 222 2HB GLU 29 2HB GLU 29 -9.896 -8.990 6.899 223 1HG GLU 29 1HG GLU 29 -10.232 -11.307 7.600 224 2HG GLU 29 2HG GLU 29 -9.787 -10.869 9.249 225 H SER 30 H SER 30 -8.082 -9.625 4.978 226 HA SER 30 HA SER 30 -8.724 -12.322 4.434 227 1HB SER 30 1HB SER 30 -7.588 -10.191 2.612 228 2HB SER 30 2HB SER 30 -8.263 -11.729 2.074 229 HG SER 30 HG SER 30 -9.981 -10.471 3.724 230 H LEU 31 H LEU 31 -5.646 -10.553 4.352 231 HA LEU 31 HA LEU 31 -4.121 -12.634 3.232 232 1HB LEU 31 1HB LEU 31 -2.155 -11.436 4.161 233 2HB LEU 31 2HB LEU 31 -3.226 -10.433 3.204 234 HG LEU 31 HG LEU 31 -4.234 -9.717 5.482 235 1HD1 LEU 31 1HD1 LEU 31 -1.542 -10.732 6.391 236 2HD1 LEU 31 2HD1 LEU 31 -3.101 -11.435 6.824 237 3HD1 LEU 31 3HD1 LEU 31 -2.692 -9.805 7.354 238 1HD2 LEU 31 1HD2 LEU 31 -2.943 -8.269 3.987 239 2HD2 LEU 31 2HD2 LEU 31 -1.447 -8.877 4.693 240 3HD2 LEU 31 3HD2 LEU 31 -2.573 -7.948 5.681 241 H SER 32 H SER 32 -5.675 -12.598 6.159 242 HA SER 32 HA SER 32 -3.649 -14.123 7.595 243 1HB SER 32 1HB SER 32 -6.453 -13.349 8.444 244 2HB SER 32 2HB SER 32 -5.207 -14.047 9.479 245 HG SER 32 HG SER 32 -4.303 -11.844 8.188 246 H ASN 33 H ASN 33 -5.091 -15.056 5.130 247 HA ASN 33 HA ASN 33 -6.246 -17.532 6.233 248 1HB ASN 33 1HB ASN 33 -6.875 -16.124 3.630 249 2HB ASN 33 2HB ASN 33 -7.545 -17.677 4.122 250 1HD2 ASN 33 1HD2 ASN 33 -9.598 -16.612 3.868 251 2HD2 ASN 33 2HD2 ASN 33 -10.229 -15.651 5.154 252 H GLU 34 H GLU 34 -5.626 -19.492 5.355 253 HA GLU 34 HA GLU 34 -3.004 -19.654 4.320 254 1HB GLU 34 1HB GLU 34 -5.170 -21.758 4.453 255 2HB GLU 34 2HB GLU 34 -3.478 -22.076 4.095 256 1HG GLU 34 1HG GLU 34 -4.538 -20.908 6.658 257 2HG GLU 34 2HG GLU 34 -4.036 -22.580 6.416 258 H ASP 35 H ASP 35 -5.874 -18.912 2.774 259 HA ASP 35 HA ASP 35 -5.365 -20.213 0.266 260 1HB ASP 35 1HB ASP 35 -7.267 -17.991 1.031 261 2HB ASP 35 2HB ASP 35 -7.210 -18.737 -0.563 262 H TRP 36 H TRP 36 -3.930 -19.602 -1.193 263 HA TRP 36 HA TRP 36 -2.442 -17.187 -0.957 264 1HB TRP 36 1HB TRP 36 -2.537 -18.957 -3.398 265 2HB TRP 36 2HB TRP 36 -1.211 -17.940 -2.847 266 HD1 TRP 36 HD1 TRP 36 -1.197 -18.983 0.212 267 HE1 TRP 36 HE1 TRP 36 -0.258 -21.330 0.703 268 HE3 TRP 36 HE3 TRP 36 -1.634 -21.038 -4.451 269 HZ2 TRP 36 HZ2 TRP 36 0.233 -23.723 -0.689 270 HZ3 TRP 36 HZ3 TRP 36 -0.905 -23.364 -4.784 271 HH2 TRP 36 HH2 TRP 36 0.010 -24.674 -2.938 272 H ARG 37 H ARG 37 -5.117 -18.242 -2.961 273 HA ARG 37 HA ARG 37 -5.127 -16.181 -4.841 274 1HB ARG 37 1HB ARG 37 -6.451 -18.227 -5.076 275 2HB ARG 37 2HB ARG 37 -7.456 -17.745 -3.717 276 1HG ARG 37 1HG ARG 37 -8.338 -15.893 -4.941 277 2HG ARG 37 2HG ARG 37 -7.206 -16.171 -6.265 278 1HD ARG 37 1HD ARG 37 -9.377 -17.029 -6.874 279 2HD ARG 37 2HD ARG 37 -8.257 -18.373 -6.653 280 HE ARG 37 HE ARG 37 -9.915 -17.669 -4.370 281 1HH1 ARG 37 1HH1 ARG 37 -9.390 -19.747 -7.115 282 2HH1 ARG 37 2HH1 ARG 37 -10.440 -20.996 -6.535 283 1HH2 ARG 37 1HH2 ARG 37 -11.299 -19.310 -3.595 284 2HH2 ARG 37 2HH2 ARG 37 -11.524 -20.749 -4.533 285 H ILE 38 H ILE 38 -7.036 -16.456 -1.832 286 HA ILE 38 HA ILE 38 -8.153 -13.865 -2.024 287 HB ILE 38 HB ILE 38 -7.756 -15.542 0.457 288 1HG1 ILE 38 1HG1 ILE 38 -10.134 -15.339 -1.407 289 2HG1 ILE 38 2HG1 ILE 38 -9.022 -16.700 -1.329 290 1HG2 ILE 38 1HG2 ILE 38 -8.218 -13.212 0.975 291 2HG2 ILE 38 2HG2 ILE 38 -9.612 -14.218 1.369 292 3HG2 ILE 38 3HG2 ILE 38 -9.619 -13.235 -0.096 293 1HD1 ILE 38 1HD1 ILE 38 -10.837 -15.768 0.881 294 2HD1 ILE 38 2HD1 ILE 38 -9.713 -17.124 0.975 295 3HD1 ILE 38 3HD1 ILE 38 -11.075 -17.184 -0.143 296 H ARG 39 H ARG 39 -5.377 -15.136 -0.212 297 HA ARG 39 HA ARG 39 -4.686 -12.731 1.074 298 1HB ARG 39 1HB ARG 39 -3.830 -14.924 1.782 299 2HB ARG 39 2HB ARG 39 -2.915 -15.056 0.286 300 1HG ARG 39 1HG ARG 39 -1.637 -13.035 0.952 301 2HG ARG 39 2HG ARG 39 -2.489 -13.058 2.496 302 1HD ARG 39 1HD ARG 39 -0.804 -15.316 1.424 303 2HD ARG 39 2HD ARG 39 -0.248 -14.113 2.585 304 HE ARG 39 HE ARG 39 -2.514 -15.209 3.689 305 1HH1 ARG 39 1HH1 ARG 39 0.574 -16.391 2.590 306 2HH1 ARG 39 2HH1 ARG 39 0.629 -17.691 3.734 307 1HH2 ARG 39 1HH2 ARG 39 -2.443 -16.915 5.206 308 2HH2 ARG 39 2HH2 ARG 39 -1.084 -17.990 5.217 309 H GLY 40 H GLY 40 -4.312 -13.787 -2.171 310 1HA GLY 40 1HA GLY 40 -2.052 -12.225 -2.891 311 2HA GLY 40 2HA GLY 40 -3.243 -12.888 -3.998 312 H ALA 41 H ALA 41 -5.441 -11.681 -3.873 313 HA ALA 41 HA ALA 41 -5.188 -9.151 -4.872 314 1HB ALA 41 1HB ALA 41 -7.533 -10.236 -3.317 315 2HB ALA 41 2HB ALA 41 -7.242 -10.440 -5.045 316 3HB ALA 41 3HB ALA 41 -7.569 -8.836 -4.390 317 H ALA 42 H ALA 42 -5.617 -10.081 -1.488 318 HA ALA 42 HA ALA 42 -6.009 -7.562 -0.371 319 1HB ALA 42 1HB ALA 42 -6.247 -9.667 0.876 320 2HB ALA 42 2HB ALA 42 -5.205 -8.518 1.716 321 3HB ALA 42 3HB ALA 42 -4.496 -9.876 0.841 322 H ALA 43 H ALA 43 -2.970 -9.342 -0.833 323 HA ALA 43 HA ALA 43 -1.240 -7.303 0.056 324 1HB ALA 43 1HB ALA 43 0.517 -8.585 -1.055 325 2HB ALA 43 2HB ALA 43 -0.702 -9.539 -1.901 326 3HB ALA 43 3HB ALA 43 -0.560 -9.643 -0.146 327 H TRP 44 H TRP 44 -2.635 -8.064 -3.070 328 HA TRP 44 HA TRP 44 -1.072 -6.375 -4.672 329 1HB TRP 44 1HB TRP 44 -3.720 -7.719 -4.948 330 2HB TRP 44 2HB TRP 44 -3.289 -6.479 -6.118 331 HD1 TRP 44 HD1 TRP 44 -1.421 -9.537 -4.604 332 HE1 TRP 44 HE1 TRP 44 -0.228 -10.764 -6.524 333 HE3 TRP 44 HE3 TRP 44 -2.846 -6.540 -8.496 334 HZ2 TRP 44 HZ2 TRP 44 0.075 -10.501 -9.313 335 HZ3 TRP 44 HZ3 TRP 44 -2.062 -7.101 -10.760 336 HH2 TRP 44 HH2 TRP 44 -0.633 -9.041 -11.160 337 H ILE 45 H ILE 45 -3.731 -5.736 -2.548 338 HA ILE 45 HA ILE 45 -4.078 -3.036 -3.632 339 HB ILE 45 HB ILE 45 -5.710 -4.471 -1.531 340 1HG1 ILE 45 1HG1 ILE 45 -6.326 -3.924 -4.444 341 2HG1 ILE 45 2HG1 ILE 45 -5.876 -5.490 -3.780 342 1HG2 ILE 45 1HG2 ILE 45 -6.177 -1.855 -2.959 343 2HG2 ILE 45 2HG2 ILE 45 -5.812 -2.067 -1.247 344 3HG2 ILE 45 3HG2 ILE 45 -7.340 -2.655 -1.902 345 1HD1 ILE 45 1HD1 ILE 45 -8.197 -5.563 -4.003 346 2HD1 ILE 45 2HD1 ILE 45 -8.400 -3.935 -3.356 347 3HD1 ILE 45 3HD1 ILE 45 -7.925 -5.256 -2.288 348 H ILE 46 H ILE 46 -2.623 -4.744 -1.048 349 HA ILE 46 HA ILE 46 -2.675 -2.904 1.027 350 HB ILE 46 HB ILE 46 -1.209 -5.288 0.401 351 1HG1 ILE 46 1HG1 ILE 46 -0.984 -5.244 2.972 352 2HG1 ILE 46 2HG1 ILE 46 -1.935 -3.766 2.886 353 1HG2 ILE 46 1HG2 ILE 46 0.440 -3.130 1.706 354 2HG2 ILE 46 2HG2 ILE 46 0.752 -3.882 0.142 355 3HG2 ILE 46 3HG2 ILE 46 0.869 -4.837 1.619 356 1HD1 ILE 46 1HD1 ILE 46 -3.734 -4.988 1.780 357 2HD1 ILE 46 2HD1 ILE 46 -3.346 -5.665 3.361 358 3HD1 ILE 46 3HD1 ILE 46 -2.788 -6.472 1.895 359 H GLY 47 H GLY 47 -0.529 -3.039 -1.787 360 1HA GLY 47 1HA GLY 47 1.218 -0.971 -0.896 361 2HA GLY 47 2HA GLY 47 1.082 -1.575 -2.540 362 H ASN 48 H ASN 48 -1.933 -0.903 -2.203 363 HA ASN 48 HA ASN 48 -1.846 1.549 -3.589 364 1HB ASN 48 1HB ASN 48 -4.157 0.248 -2.137 365 2HB ASN 48 2HB ASN 48 -4.301 1.596 -3.256 366 1HD2 ASN 48 1HD2 ASN 48 -2.091 -1.094 -3.723 367 2HD2 ASN 48 2HD2 ASN 48 -2.897 -1.761 -5.094 368 H PHE 49 H PHE 49 -2.647 0.755 -0.219 369 HA PHE 49 HA PHE 49 -2.936 3.551 0.466 370 1HB PHE 49 1HB PHE 49 -2.996 1.087 2.221 371 2HB PHE 49 2HB PHE 49 -3.434 2.717 2.724 372 HD1 PHE 49 HD1 PHE 49 -5.405 3.829 1.558 373 HD2 PHE 49 HD2 PHE 49 -4.572 -0.333 1.267 374 HE1 PHE 49 HE1 PHE 49 -7.723 3.418 0.844 375 HE2 PHE 49 HE2 PHE 49 -6.886 -0.752 0.552 376 HZ PHE 49 HZ PHE 49 -8.466 1.125 0.340 377 H GLN 50 H GLN 50 -1.183 4.729 0.708 378 HA GLN 50 HA GLN 50 1.387 3.646 1.340 379 1HB GLN 50 1HB GLN 50 0.325 6.431 0.953 380 2HB GLN 50 2HB GLN 50 1.966 6.162 1.530 381 1HG GLN 50 1HG GLN 50 2.514 6.134 -0.623 382 2HG GLN 50 2HG GLN 50 1.861 4.496 -0.600 383 1HE2 GLN 50 1HE2 GLN 50 -0.890 5.552 -0.231 384 2HE2 GLN 50 2HE2 GLN 50 -1.373 6.119 -1.788 385 H ASP 51 H ASP 51 -0.561 3.105 3.347 386 HA ASP 51 HA ASP 51 0.286 4.764 5.606 387 1HB ASP 51 1HB ASP 51 -2.146 4.407 5.241 388 2HB ASP 51 2HB ASP 51 -1.901 2.680 5.479 389 H GLU 52 H GLU 52 0.954 3.754 7.591 390 HA GLU 52 HA GLU 52 2.914 1.770 7.232 391 1HB GLU 52 1HB GLU 52 3.112 1.798 9.687 392 2HB GLU 52 2HB GLU 52 3.076 3.420 9.007 393 1HG GLU 52 1HG GLU 52 0.677 3.564 9.588 394 2HG GLU 52 2HG GLU 52 0.806 1.988 10.366 395 H ARG 53 H ARG 53 -0.462 1.547 7.921 396 HA ARG 53 HA ARG 53 -0.617 -0.903 9.247 397 1HB ARG 53 1HB ARG 53 -2.452 0.858 8.568 398 2HB ARG 53 2HB ARG 53 -2.630 -0.166 7.154 399 1HG ARG 53 1HG ARG 53 -2.929 -1.084 10.007 400 2HG ARG 53 2HG ARG 53 -4.257 -0.672 8.920 401 1HD ARG 53 1HD ARG 53 -2.281 -2.927 8.624 402 2HD ARG 53 2HD ARG 53 -4.007 -3.052 8.957 403 HE ARG 53 HE ARG 53 -4.049 -1.804 6.620 404 1HH1 ARG 53 1HH1 ARG 53 -2.150 -4.527 7.676 405 2HH1 ARG 53 2HH1 ARG 53 -2.068 -5.246 6.103 406 1HH2 ARG 53 1HH2 ARG 53 -3.947 -2.746 4.542 407 2HH2 ARG 53 2HH2 ARG 53 -3.090 -4.233 4.324 408 H ALA 54 H ALA 54 -0.391 -0.175 5.795 409 HA ALA 54 HA ALA 54 -0.415 -3.028 5.158 410 1HB ALA 54 1HB ALA 54 -0.500 -0.618 3.355 411 2HB ALA 54 2HB ALA 54 -1.874 -1.606 3.852 412 3HB ALA 54 3HB ALA 54 -0.615 -2.296 2.830 413 H VAL 55 H VAL 55 1.951 -1.598 6.414 414 HA VAL 55 HA VAL 55 3.917 -1.780 4.267 415 HB VAL 55 HB VAL 55 3.913 0.026 6.113 416 1HG1 VAL 55 1HG1 VAL 55 5.458 -2.062 7.622 417 2HG1 VAL 55 2HG1 VAL 55 3.773 -1.678 7.964 418 3HG1 VAL 55 3HG1 VAL 55 5.013 -0.438 8.151 419 1HG2 VAL 55 1HG2 VAL 55 6.320 0.243 5.978 420 2HG2 VAL 55 2HG2 VAL 55 5.676 -0.297 4.428 421 3HG2 VAL 55 3HG2 VAL 55 6.466 -1.449 5.503 422 H GLU 56 H GLU 56 2.999 -3.432 7.224 423 HA GLU 56 HA GLU 56 5.190 -5.166 7.422 424 1HB GLU 56 1HB GLU 56 3.682 -4.896 9.281 425 2HB GLU 56 2HB GLU 56 2.341 -5.539 8.342 426 1HG GLU 56 1HG GLU 56 3.161 -7.708 8.416 427 2HG GLU 56 2HG GLU 56 4.791 -7.180 8.837 428 HA PRO 57 HA PRO 57 2.163 -8.360 4.976 429 1HB PRO 57 1HB PRO 57 1.424 -6.179 3.068 430 2HB PRO 57 2HB PRO 57 0.538 -7.645 3.500 431 1HG PRO 57 1HG PRO 57 -0.146 -5.297 4.546 432 2HG PRO 57 2HG PRO 57 -0.183 -6.774 5.526 433 1HD PRO 57 1HD PRO 57 1.735 -4.509 5.588 434 2HD PRO 57 2HD PRO 57 1.240 -5.609 6.889 435 H LEU 58 H LEU 58 3.518 -5.586 3.197 436 HA LEU 58 HA LEU 58 4.628 -7.024 1.095 437 1HB LEU 58 1HB LEU 58 5.720 -4.480 2.291 438 2HB LEU 58 2HB LEU 58 5.983 -5.068 0.660 439 HG LEU 58 HG LEU 58 3.378 -4.080 1.816 440 1HD1 LEU 58 1HD1 LEU 58 5.078 -2.372 1.200 441 2HD1 LEU 58 2HD1 LEU 58 3.585 -2.278 0.265 442 3HD1 LEU 58 3HD1 LEU 58 5.029 -2.993 -0.451 443 1HD2 LEU 58 1HD2 LEU 58 2.488 -4.417 -0.461 444 2HD2 LEU 58 2HD2 LEU 58 2.915 -5.927 0.342 445 3HD2 LEU 58 3HD2 LEU 58 3.981 -5.253 -0.891 446 H ILE 59 H ILE 59 6.022 -6.181 4.234 447 HA ILE 59 HA ILE 59 8.653 -6.896 3.798 448 HB ILE 59 HB ILE 59 7.008 -7.151 6.306 449 1HG1 ILE 59 1HG1 ILE 59 7.339 -4.872 5.293 450 2HG1 ILE 59 2HG1 ILE 59 7.980 -5.040 6.922 451 1HG2 ILE 59 1HG2 ILE 59 9.983 -7.439 5.933 452 2HG2 ILE 59 2HG2 ILE 59 8.858 -8.647 6.555 453 3HG2 ILE 59 3HG2 ILE 59 9.199 -7.192 7.492 454 1HD1 ILE 59 1HD1 ILE 59 10.227 -5.274 6.023 455 2HD1 ILE 59 2HD1 ILE 59 9.476 -3.777 5.470 456 3HD1 ILE 59 3HD1 ILE 59 9.592 -5.160 4.382 457 H LYS 60 H LYS 60 6.171 -9.029 5.256 458 HA LYS 60 HA LYS 60 7.860 -11.325 5.094 459 1HB LYS 60 1HB LYS 60 6.103 -11.097 6.797 460 2HB LYS 60 2HB LYS 60 4.876 -11.171 5.538 461 1HG LYS 60 1HG LYS 60 5.948 -13.437 4.939 462 2HG LYS 60 2HG LYS 60 6.678 -13.336 6.542 463 1HD LYS 60 1HD LYS 60 3.721 -13.096 6.017 464 2HD LYS 60 2HD LYS 60 4.525 -14.605 6.446 465 1HE LYS 60 1HE LYS 60 4.481 -12.092 8.114 466 2HE LYS 60 2HE LYS 60 3.507 -13.533 8.399 467 1HZ LYS 60 1HZ LYS 60 6.476 -13.453 8.437 468 2HZ LYS 60 2HZ LYS 60 5.508 -14.795 8.790 469 3HZ LYS 60 3HZ LYS 60 5.488 -13.446 9.810 470 H LEU 61 H LEU 61 5.447 -9.939 3.000 471 HA LEU 61 HA LEU 61 4.878 -12.223 1.447 472 1HB LEU 61 1HB LEU 61 4.440 -9.310 1.217 473 2HB LEU 61 2HB LEU 61 4.334 -10.245 -0.261 474 HG LEU 61 HG LEU 61 2.448 -11.381 0.422 475 1HD1 LEU 61 1HD1 LEU 61 1.664 -11.567 2.733 476 2HD1 LEU 61 2HD1 LEU 61 3.054 -10.632 3.281 477 3HD1 LEU 61 3HD1 LEU 61 3.292 -12.220 2.552 478 1HD2 LEU 61 1HD2 LEU 61 0.883 -9.738 1.235 479 2HD2 LEU 61 2HD2 LEU 61 2.014 -8.979 0.116 480 3HD2 LEU 61 3HD2 LEU 61 2.202 -8.746 1.853 481 H LEU 62 H LEU 62 7.236 -9.614 0.956 482 HA LEU 62 HA LEU 62 8.040 -10.389 -1.631 483 1HB LEU 62 1HB LEU 62 9.596 -8.924 0.503 484 2HB LEU 62 2HB LEU 62 10.020 -8.999 -1.198 485 HG LEU 62 HG LEU 62 7.351 -7.906 -0.400 486 1HD1 LEU 62 1HD1 LEU 62 8.938 -6.724 1.023 487 2HD1 LEU 62 2HD1 LEU 62 8.331 -5.665 -0.250 488 3HD1 LEU 62 3HD1 LEU 62 9.945 -6.363 -0.379 489 1HD2 LEU 62 1HD2 LEU 62 7.818 -8.313 -2.757 490 2HD2 LEU 62 2HD2 LEU 62 9.264 -7.309 -2.654 491 3HD2 LEU 62 3HD2 LEU 62 7.671 -6.586 -2.431 492 H GLU 63 H GLU 63 8.389 -11.943 1.297 493 HA GLU 63 HA GLU 63 10.634 -13.528 0.252 494 1HB GLU 63 1HB GLU 63 11.330 -13.879 2.613 495 2HB GLU 63 2HB GLU 63 11.488 -12.221 2.068 496 1HG GLU 63 1HG GLU 63 9.444 -11.626 3.229 497 2HG GLU 63 2HG GLU 63 9.229 -13.301 3.736 498 H ASP 64 H ASP 64 7.430 -13.511 1.123 499 HA ASP 64 HA ASP 64 7.112 -15.946 2.472 500 1HB ASP 64 1HB ASP 64 5.399 -14.035 1.972 501 2HB ASP 64 2HB ASP 64 5.055 -14.980 0.526 502 H ASP 65 H ASP 65 7.501 -15.172 -0.856 503 HA ASP 65 HA ASP 65 7.848 -16.405 -2.737 504 1HB ASP 65 1HB ASP 65 8.638 -18.495 -0.700 505 2HB ASP 65 2HB ASP 65 8.912 -18.642 -2.433 506 H SER 66 H SER 66 5.204 -16.452 -1.370 507 HA SER 66 HA SER 66 4.146 -19.085 -1.967 508 1HB SER 66 1HB SER 66 3.173 -16.638 -0.620 509 2HB SER 66 2HB SER 66 1.953 -17.616 -1.425 510 HG SER 66 HG SER 66 3.828 -18.562 0.485 511 H GLY 67 H GLY 67 5.045 -16.701 -3.928 512 1HA GLY 67 1HA GLY 67 4.600 -16.493 -6.206 513 2HA GLY 67 2HA GLY 67 3.188 -17.517 -6.000 514 H PHE 68 H PHE 68 1.208 -16.584 -5.875 515 HA PHE 68 HA PHE 68 0.730 -14.008 -6.735 516 1HB PHE 68 1HB PHE 68 -0.859 -16.099 -6.219 517 2HB PHE 68 2HB PHE 68 -1.189 -15.163 -4.769 518 HD1 PHE 68 HD1 PHE 68 -1.308 -12.411 -5.667 519 HD2 PHE 68 HD2 PHE 68 -2.635 -15.957 -7.628 520 HE1 PHE 68 HE1 PHE 68 -2.973 -11.103 -6.915 521 HE2 PHE 68 HE2 PHE 68 -4.294 -14.647 -8.880 522 HZ PHE 68 HZ PHE 68 -4.465 -12.217 -8.526 523 H VAL 69 H VAL 69 1.110 -15.221 -3.461 524 HA VAL 69 HA VAL 69 0.468 -12.823 -2.107 525 HB VAL 69 HB VAL 69 2.219 -15.088 -1.148 526 1HG1 VAL 69 1HG1 VAL 69 0.710 -12.925 0.303 527 2HG1 VAL 69 2HG1 VAL 69 2.450 -13.220 0.305 528 3HG1 VAL 69 3HG1 VAL 69 1.360 -14.363 1.091 529 1HG2 VAL 69 1HG2 VAL 69 0.215 -16.083 -0.234 530 2HG2 VAL 69 2HG2 VAL 69 0.023 -15.856 -1.973 531 3HG2 VAL 69 3HG2 VAL 69 -0.762 -14.748 -0.848 532 H ARG 70 H ARG 70 3.509 -14.173 -3.307 533 HA ARG 70 HA ARG 70 5.128 -12.142 -2.093 534 1HB ARG 70 1HB ARG 70 6.002 -14.394 -2.582 535 2HB ARG 70 2HB ARG 70 5.811 -14.087 -4.302 536 1HG ARG 70 1HG ARG 70 7.441 -12.286 -4.178 537 2HG ARG 70 2HG ARG 70 7.614 -12.550 -2.443 538 1HD ARG 70 1HD ARG 70 9.393 -13.584 -3.917 539 2HD ARG 70 2HD ARG 70 8.610 -14.662 -2.763 540 HE ARG 70 HE ARG 70 7.142 -15.011 -4.998 541 1HH1 ARG 70 1HH1 ARG 70 10.574 -15.092 -4.391 542 2HH1 ARG 70 2HH1 ARG 70 10.892 -16.269 -5.621 543 1HH2 ARG 70 1HH2 ARG 70 7.552 -16.552 -6.620 544 2HH2 ARG 70 2HH2 ARG 70 9.175 -17.096 -6.892 545 H SER 71 H SER 71 4.398 -12.884 -5.507 546 HA SER 71 HA SER 71 5.517 -10.668 -6.686 547 1HB SER 71 1HB SER 71 3.873 -11.008 -8.525 548 2HB SER 71 2HB SER 71 4.659 -12.502 -8.015 549 HG SER 71 HG SER 71 2.469 -12.887 -8.186 550 H GLY 72 H GLY 72 2.517 -10.909 -4.926 551 1HA GLY 72 1HA GLY 72 1.300 -8.531 -5.816 552 2HA GLY 72 2HA GLY 72 0.983 -9.329 -4.283 553 H ALA 73 H ALA 73 3.651 -9.134 -3.262 554 HA ALA 73 HA ALA 73 3.507 -6.465 -2.226 555 1HB ALA 73 1HB ALA 73 4.118 -8.230 -0.731 556 2HB ALA 73 2HB ALA 73 5.501 -7.148 -0.906 557 3HB ALA 73 3HB ALA 73 5.476 -8.693 -1.755 558 H ALA 74 H ALA 74 5.603 -8.194 -4.473 559 HA ALA 74 HA ALA 74 7.697 -6.385 -4.661 560 1HB ALA 74 1HB ALA 74 8.013 -7.283 -6.967 561 2HB ALA 74 2HB ALA 74 6.493 -8.158 -6.780 562 3HB ALA 74 3HB ALA 74 7.858 -8.520 -5.722 563 H ARG 75 H ARG 75 4.691 -6.501 -6.558 564 HA ARG 75 HA ARG 75 5.258 -4.085 -7.971 565 1HB ARG 75 1HB ARG 75 2.873 -4.252 -8.698 566 2HB ARG 75 2HB ARG 75 3.822 -5.699 -9.012 567 1HG ARG 75 1HG ARG 75 2.829 -6.834 -7.155 568 2HG ARG 75 2HG ARG 75 2.014 -5.360 -6.630 569 1HD ARG 75 1HD ARG 75 0.599 -7.049 -7.880 570 2HD ARG 75 2HD ARG 75 0.549 -5.389 -8.475 571 HE ARG 75 HE ARG 75 2.248 -7.449 -9.727 572 1HH1 ARG 75 1HH1 ARG 75 -0.145 -4.923 -9.934 573 2HH1 ARG 75 2HH1 ARG 75 -0.171 -4.913 -11.665 574 1HH2 ARG 75 1HH2 ARG 75 2.220 -7.441 -12.008 575 2HH2 ARG 75 2HH2 ARG 75 1.173 -6.343 -12.843 576 H SER 76 H SER 76 3.506 -4.884 -5.041 577 HA SER 76 HA SER 76 2.010 -2.565 -4.705 578 1HB SER 76 1HB SER 76 3.208 -4.497 -2.738 579 2HB SER 76 2HB SER 76 2.267 -3.106 -2.201 580 HG SER 76 HG SER 76 1.168 -4.703 -4.201 581 H LEU 77 H LEU 77 5.389 -3.187 -3.820 582 HA LEU 77 HA LEU 77 5.882 -0.897 -2.328 583 1HB LEU 77 1HB LEU 77 7.735 -2.286 -4.263 584 2HB LEU 77 2HB LEU 77 8.236 -1.126 -3.049 585 HG LEU 77 HG LEU 77 6.929 -3.775 -2.429 586 1HD1 LEU 77 1HD1 LEU 77 9.153 -4.508 -1.772 587 2HD1 LEU 77 2HD1 LEU 77 9.825 -2.963 -2.295 588 3HD1 LEU 77 3HD1 LEU 77 9.117 -4.062 -3.478 589 1HD2 LEU 77 1HD2 LEU 77 6.658 -1.925 -0.760 590 2HD2 LEU 77 2HD2 LEU 77 8.414 -1.884 -0.613 591 3HD2 LEU 77 3HD2 LEU 77 7.525 -3.338 -0.159 592 H GLU 78 H GLU 78 6.593 -1.335 -5.792 593 HA GLU 78 HA GLU 78 7.264 1.233 -6.455 594 1HB GLU 78 1HB GLU 78 7.340 -0.737 -7.979 595 2HB GLU 78 2HB GLU 78 5.596 -0.620 -8.166 596 1HG GLU 78 1HG GLU 78 7.279 1.757 -8.784 597 2HG GLU 78 2HG GLU 78 7.217 0.421 -9.933 598 H GLN 79 H GLN 79 4.076 -0.042 -5.787 599 HA GLN 79 HA GLN 79 2.604 2.128 -6.890 600 1HB GLN 79 1HB GLN 79 1.768 0.281 -4.644 601 2HB GLN 79 2HB GLN 79 0.705 1.281 -5.623 602 1HG GLN 79 1HG GLN 79 1.709 -0.086 -7.601 603 2HG GLN 79 2HG GLN 79 2.121 -1.239 -6.334 604 1HE2 GLN 79 1HE2 GLN 79 0.452 -2.270 -5.185 605 2HE2 GLN 79 2HE2 GLN 79 -1.163 -2.323 -5.793 606 H ILE 80 H ILE 80 3.879 1.416 -3.676 607 HA ILE 80 HA ILE 80 2.760 3.684 -2.393 608 HB ILE 80 HB ILE 80 5.187 2.057 -1.607 609 1HG1 ILE 80 1HG1 ILE 80 2.310 1.800 -0.703 610 2HG1 ILE 80 2HG1 ILE 80 3.086 0.743 -1.878 611 1HG2 ILE 80 1HG2 ILE 80 5.075 4.240 -0.493 612 2HG2 ILE 80 2HG2 ILE 80 4.800 2.913 0.635 613 3HG2 ILE 80 3HG2 ILE 80 3.440 3.871 0.055 614 1HD1 ILE 80 1HD1 ILE 80 4.691 0.046 -0.163 615 2HD1 ILE 80 2HD1 ILE 80 3.025 -0.305 0.292 616 3HD1 ILE 80 3HD1 ILE 80 3.862 1.070 1.009 617 H GLY 81 H GLY 81 6.162 3.009 -3.258 618 1HA GLY 81 1HA GLY 81 7.886 4.403 -3.843 619 2HA GLY 81 2HA GLY 81 6.657 5.444 -4.542 620 H GLY 82 H GLY 82 9.040 5.190 -2.208 621 1HA GLY 82 1HA GLY 82 8.960 7.786 -1.342 622 2HA GLY 82 2HA GLY 82 7.910 6.929 -0.226 623 H GLU 83 H GLU 83 9.964 8.107 0.919 624 HA GLU 83 HA GLU 83 12.383 6.646 0.986 625 1HB GLU 83 1HB GLU 83 12.980 7.990 2.863 626 2HB GLU 83 2HB GLU 83 12.060 9.016 1.772 627 1HG GLU 83 1HG GLU 83 10.989 7.689 4.253 628 2HG GLU 83 2HG GLU 83 11.454 9.383 4.107 629 H ARG 84 H ARG 84 9.309 6.145 2.422 630 HA ARG 84 HA ARG 84 10.186 4.486 4.582 631 1HB ARG 84 1HB ARG 84 7.764 3.919 4.783 632 2HB ARG 84 2HB ARG 84 8.090 5.645 4.819 633 1HG ARG 84 1HG ARG 84 6.291 5.598 3.413 634 2HG ARG 84 2HG ARG 84 7.604 5.459 2.240 635 1HD ARG 84 1HD ARG 84 5.783 3.864 1.820 636 2HD ARG 84 2HD ARG 84 7.316 3.064 2.151 637 HE ARG 84 HE ARG 84 6.484 2.487 4.324 638 1HH1 ARG 84 1HH1 ARG 84 4.117 3.840 2.153 639 2HH1 ARG 84 2HH1 ARG 84 2.764 3.194 3.022 640 1HH2 ARG 84 1HH2 ARG 84 4.710 1.636 5.472 641 2HH2 ARG 84 2HH2 ARG 84 3.102 1.942 4.908 642 H VAL 85 H VAL 85 9.160 3.999 1.267 643 HA VAL 85 HA VAL 85 8.850 1.179 1.411 644 HB VAL 85 HB VAL 85 9.689 2.631 -1.085 645 1HG1 VAL 85 1HG1 VAL 85 7.879 0.274 -0.576 646 2HG1 VAL 85 2HG1 VAL 85 9.518 0.219 -1.224 647 3HG1 VAL 85 3HG1 VAL 85 8.225 0.974 -2.158 648 1HG2 VAL 85 1HG2 VAL 85 7.349 3.185 -1.514 649 2HG2 VAL 85 2HG2 VAL 85 7.943 3.991 -0.062 650 3HG2 VAL 85 3HG2 VAL 85 6.908 2.570 0.079 651 H ARG 86 H ARG 86 11.506 3.349 0.870 652 HA ARG 86 HA ARG 86 13.439 1.703 -0.198 653 1HB ARG 86 1HB ARG 86 13.376 4.256 0.644 654 2HB ARG 86 2HB ARG 86 14.301 3.543 1.959 655 1HG ARG 86 1HG ARG 86 15.949 2.709 0.396 656 2HG ARG 86 2HG ARG 86 15.003 3.324 -0.961 657 1HD ARG 86 1HD ARG 86 15.280 5.607 -0.098 658 2HD ARG 86 2HD ARG 86 16.260 4.979 1.226 659 HE ARG 86 HE ARG 86 17.058 4.686 -1.597 660 1HH1 ARG 86 1HH1 ARG 86 17.763 5.542 1.708 661 2HH1 ARG 86 2HH1 ARG 86 19.440 5.848 1.405 662 1HH2 ARG 86 1HH2 ARG 86 19.264 5.090 -2.004 663 2HH2 ARG 86 2HH2 ARG 86 20.294 5.591 -0.704 664 H ALA 87 H ALA 87 12.111 1.722 3.009 665 HA ALA 87 HA ALA 87 14.214 0.256 4.268 666 1HB ALA 87 1HB ALA 87 11.329 0.537 5.112 667 2HB ALA 87 2HB ALA 87 12.629 1.653 5.534 668 3HB ALA 87 3HB ALA 87 12.669 -0.009 6.122 669 H ALA 88 H ALA 88 11.118 -0.593 2.785 670 HA ALA 88 HA ALA 88 11.189 -3.342 3.407 671 1HB ALA 88 1HB ALA 88 9.458 -3.581 1.698 672 2HB ALA 88 2HB ALA 88 9.786 -1.943 1.134 673 3HB ALA 88 3HB ALA 88 9.134 -2.204 2.752 674 H MET 89 H MET 89 12.294 -1.512 0.561 675 HA MET 89 HA MET 89 13.070 -3.823 -0.898 676 1HB MET 89 1HB MET 89 13.969 -2.367 -2.508 677 2HB MET 89 2HB MET 89 12.600 -1.498 -1.839 678 1HG MET 89 1HG MET 89 14.241 0.109 -2.012 679 2HG MET 89 2HG MET 89 14.322 -0.362 -0.316 680 1HE MET 89 1HE MET 89 18.052 0.465 -1.264 681 2HE MET 89 2HE MET 89 16.664 0.911 -0.272 682 3HE MET 89 3HE MET 89 16.647 1.234 -2.003 683 H GLU 90 H GLU 90 14.714 -1.692 1.362 684 HA GLU 90 HA GLU 90 17.330 -2.656 0.951 685 1HB GLU 90 1HB GLU 90 15.941 -1.216 3.177 686 2HB GLU 90 2HB GLU 90 17.532 -1.901 3.474 687 1HG GLU 90 1HG GLU 90 16.926 -0.012 1.219 688 2HG GLU 90 2HG GLU 90 17.518 0.501 2.797 689 H LYS 91 H LYS 91 14.613 -3.815 2.793 690 HA LYS 91 HA LYS 91 15.980 -5.687 4.409 691 1HB LYS 91 1HB LYS 91 13.664 -4.915 4.831 692 2HB LYS 91 2HB LYS 91 13.129 -5.792 3.405 693 1HG LYS 91 1HG LYS 91 12.613 -7.070 5.370 694 2HG LYS 91 2HG LYS 91 13.877 -7.896 4.456 695 1HD LYS 91 1HD LYS 91 15.566 -6.944 5.972 696 2HD LYS 91 2HD LYS 91 14.281 -6.168 6.898 697 1HE LYS 91 1HE LYS 91 13.331 -8.366 7.413 698 2HE LYS 91 2HE LYS 91 14.620 -9.137 6.491 699 1HZ LYS 91 1HZ LYS 91 16.231 -8.252 8.041 700 2HZ LYS 91 2HZ LYS 91 15.066 -9.150 8.875 701 3HZ LYS 91 3HZ LYS 91 15.014 -7.460 8.910 702 H LEU 92 H LEU 92 14.569 -5.899 1.178 703 HA LEU 92 HA LEU 92 14.963 -8.706 0.897 704 1HB LEU 92 1HB LEU 92 14.731 -6.670 -1.314 705 2HB LEU 92 2HB LEU 92 14.413 -8.390 -1.425 706 HG LEU 92 HG LEU 92 12.781 -6.325 0.032 707 1HD1 LEU 92 1HD1 LEU 92 12.294 -8.062 -2.370 708 2HD1 LEU 92 2HD1 LEU 92 12.291 -6.300 -2.280 709 3HD1 LEU 92 3HD1 LEU 92 11.004 -7.224 -1.508 710 1HD2 LEU 92 1HD2 LEU 92 12.328 -9.304 -0.053 711 2HD2 LEU 92 2HD2 LEU 92 11.315 -8.102 0.747 712 3HD2 LEU 92 3HD2 LEU 92 12.943 -8.419 1.342 713 H ALA 93 H ALA 93 16.818 -5.849 -0.022 714 HA ALA 93 HA ALA 93 18.800 -7.062 -1.529 715 1HB ALA 93 1HB ALA 93 20.163 -5.138 -1.092 716 2HB ALA 93 2HB ALA 93 19.229 -4.751 0.354 717 3HB ALA 93 3HB ALA 93 18.487 -4.609 -1.240 718 H GLU 94 H GLU 94 18.206 -7.241 1.842 719 HA GLU 94 HA GLU 94 20.867 -8.264 2.454 720 1HB GLU 94 1HB GLU 94 19.502 -6.689 3.963 721 2HB GLU 94 2HB GLU 94 18.520 -8.097 4.340 722 1HG GLU 94 1HG GLU 94 21.495 -8.058 4.728 723 2HG GLU 94 2HG GLU 94 20.367 -7.508 5.965 724 H THR 95 H THR 95 17.693 -9.333 1.715 725 HA THR 95 HA THR 95 18.451 -12.118 2.325 726 HB THR 95 HB THR 95 16.059 -12.626 2.638 727 HG1 THR 95 HG1 THR 95 14.706 -11.192 1.874 728 1HG2 THR 95 1HG2 THR 95 15.761 -11.474 4.798 729 2HG2 THR 95 2HG2 THR 95 17.087 -10.387 4.384 730 3HG2 THR 95 3HG2 THR 95 17.394 -12.109 4.603 731 H GLY 96 H GLY 96 19.072 -10.820 -0.088 732 1HA GLY 96 1HA GLY 96 17.462 -10.847 -2.233 733 2HA GLY 96 2HA GLY 96 19.103 -11.463 -2.307 734 H THR 97 H THR 97 15.811 -12.190 -2.560 735 HA THR 97 HA THR 97 16.455 -14.962 -3.196 736 HB THR 97 HB THR 97 14.353 -15.718 -1.995 737 HG1 THR 97 HG1 THR 97 14.607 -13.592 -0.225 738 1HG2 THR 97 1HG2 THR 97 15.463 -15.984 0.138 739 2HG2 THR 97 2HG2 THR 97 16.563 -14.657 -0.232 740 3HG2 THR 97 3HG2 THR 97 16.646 -16.155 -1.159 741 H GLY 98 H GLY 98 15.418 -15.664 -4.970 742 1HA GLY 98 1HA GLY 98 14.049 -15.656 -6.812 743 2HA GLY 98 2HA GLY 98 12.818 -14.979 -5.755 744 H PHE 99 H PHE 99 11.966 -13.512 -7.177 745 HA PHE 99 HA PHE 99 13.695 -11.671 -8.595 746 1HB PHE 99 1HB PHE 99 11.600 -10.752 -9.512 747 2HB PHE 99 2HB PHE 99 11.688 -12.498 -9.713 748 HD1 PHE 99 HD1 PHE 99 9.877 -13.793 -9.105 749 HD2 PHE 99 HD2 PHE 99 10.305 -9.919 -7.395 750 HE1 PHE 99 HE1 PHE 99 7.671 -14.018 -8.036 751 HE2 PHE 99 HE2 PHE 99 8.112 -10.142 -6.327 752 HZ PHE 99 HZ PHE 99 6.786 -12.187 -6.644 753 H ALA 100 H ALA 100 11.898 -11.768 -5.659 754 HA ALA 100 HA ALA 100 11.227 -9.195 -5.084 755 1HB ALA 100 1HB ALA 100 12.541 -11.145 -3.198 756 2HB ALA 100 2HB ALA 100 10.818 -11.051 -3.567 757 3HB ALA 100 3HB ALA 100 11.615 -9.721 -2.726 758 H ARG 101 H ARG 101 14.458 -10.584 -5.051 759 HA ARG 101 HA ARG 101 15.780 -8.426 -3.817 760 1HB ARG 101 1HB ARG 101 16.813 -10.620 -4.038 761 2HB ARG 101 2HB ARG 101 16.801 -10.464 -5.790 762 1HG ARG 101 1HG ARG 101 19.014 -10.033 -4.958 763 2HG ARG 101 2HG ARG 101 18.330 -8.538 -5.598 764 1HD ARG 101 1HD ARG 101 17.640 -7.991 -3.222 765 2HD ARG 101 2HD ARG 101 18.646 -9.351 -2.722 766 HE ARG 101 HE ARG 101 19.592 -6.844 -3.906 767 1HH1 ARG 101 1HH1 ARG 101 20.263 -9.931 -2.437 768 2HH1 ARG 101 2HH1 ARG 101 21.929 -9.568 -2.128 769 1HH2 ARG 101 1HH2 ARG 101 21.786 -6.359 -3.510 770 2HH2 ARG 101 2HH2 ARG 101 22.794 -7.539 -2.741 771 H LYS 102 H LYS 102 15.766 -9.322 -7.275 772 HA LYS 102 HA LYS 102 16.950 -7.008 -8.248 773 1HB LYS 102 1HB LYS 102 16.740 -8.827 -9.742 774 2HB LYS 102 2HB LYS 102 15.005 -8.953 -9.478 775 1HG LYS 102 1HG LYS 102 14.596 -6.964 -10.729 776 2HG LYS 102 2HG LYS 102 16.319 -6.602 -10.826 777 1HD LYS 102 1HD LYS 102 14.999 -9.035 -12.030 778 2HD LYS 102 2HD LYS 102 15.384 -7.560 -12.919 779 1HE LYS 102 1HE LYS 102 17.760 -7.874 -12.382 780 2HE LYS 102 2HE LYS 102 17.363 -9.359 -11.520 781 1HZ LYS 102 1HZ LYS 102 16.550 -10.307 -13.580 782 2HZ LYS 102 2HZ LYS 102 18.154 -9.802 -13.763 783 3HZ LYS 102 3HZ LYS 102 16.897 -8.876 -14.413 784 H VAL 103 H VAL 103 13.653 -7.663 -7.350 785 HA VAL 103 HA VAL 103 12.435 -5.402 -8.500 786 HB VAL 103 HB VAL 103 11.679 -7.162 -6.172 787 1HG1 VAL 103 1HG1 VAL 103 10.080 -4.910 -7.401 788 2HG1 VAL 103 2HG1 VAL 103 10.685 -4.991 -5.746 789 3HG1 VAL 103 3HG1 VAL 103 9.435 -6.113 -6.285 790 1HG2 VAL 103 1HG2 VAL 103 10.551 -6.902 -8.960 791 2HG2 VAL 103 2HG2 VAL 103 10.005 -8.028 -7.717 792 3HG2 VAL 103 3HG2 VAL 103 11.624 -8.182 -8.396 793 H ALA 104 H ALA 104 13.808 -5.989 -5.282 794 HA ALA 104 HA ALA 104 13.091 -3.520 -4.134 795 1HB ALA 104 1HB ALA 104 13.720 -5.480 -2.830 796 2HB ALA 104 2HB ALA 104 14.714 -4.088 -2.409 797 3HB ALA 104 3HB ALA 104 15.370 -5.361 -3.437 798 H VAL 105 H VAL 105 16.255 -4.605 -5.287 799 HA VAL 105 HA VAL 105 17.667 -2.251 -4.941 800 HB VAL 105 HB VAL 105 18.125 -4.362 -7.051 801 1HG1 VAL 105 1HG1 VAL 105 19.962 -2.250 -5.929 802 2HG1 VAL 105 2HG1 VAL 105 19.372 -2.372 -7.587 803 3HG1 VAL 105 3HG1 VAL 105 20.478 -3.590 -6.953 804 1HG2 VAL 105 1HG2 VAL 105 18.026 -5.244 -4.754 805 2HG2 VAL 105 2HG2 VAL 105 19.290 -4.108 -4.280 806 3HG2 VAL 105 3HG2 VAL 105 19.640 -5.376 -5.453 807 H ASN 106 H ASN 106 16.460 -3.458 -8.083 808 HA ASN 106 HA ASN 106 17.056 -1.179 -9.551 809 1HB ASN 106 1HB ASN 106 14.924 -3.273 -9.949 810 2HB ASN 106 2HB ASN 106 15.260 -2.012 -11.131 811 1HD2 ASN 106 1HD2 ASN 106 17.156 -2.077 -12.307 812 2HD2 ASN 106 2HD2 ASN 106 18.167 -3.476 -12.365 813 H TYR 107 H TYR 107 14.176 -1.920 -7.649 814 HA TYR 107 HA TYR 107 12.529 0.144 -8.555 815 1HB TYR 107 1HB TYR 107 11.424 -1.421 -7.252 816 2HB TYR 107 2HB TYR 107 12.698 -1.462 -6.044 817 HD1 TYR 107 HD1 TYR 107 12.372 -0.421 -4.059 818 HD2 TYR 107 HD2 TYR 107 10.153 0.909 -7.419 819 HE1 TYR 107 HE1 TYR 107 11.171 1.166 -2.617 820 HE2 TYR 107 HE2 TYR 107 8.928 2.495 -5.995 821 HH TYR 107 HH TYR 107 8.358 2.788 -3.633 822 H LEU 108 H LEU 108 14.891 0.075 -5.930 823 HA LEU 108 HA LEU 108 14.404 2.504 -4.744 824 1HB LEU 108 1HB LEU 108 16.173 1.969 -3.515 825 2HB LEU 108 2HB LEU 108 16.267 0.514 -4.482 826 HG LEU 108 HG LEU 108 17.743 2.132 -6.028 827 1HD1 LEU 108 1HD1 LEU 108 19.115 3.590 -4.688 828 2HD1 LEU 108 2HD1 LEU 108 18.247 3.120 -3.225 829 3HD1 LEU 108 3HD1 LEU 108 17.422 4.041 -4.483 830 1HD2 LEU 108 1HD2 LEU 108 19.714 1.170 -4.922 831 2HD2 LEU 108 2HD2 LEU 108 18.443 -0.028 -5.165 832 3HD2 LEU 108 3HD2 LEU 108 18.700 0.674 -3.568 833 H GLU 109 H GLU 109 15.597 1.979 -7.906 834 HA GLU 109 HA GLU 109 17.171 4.274 -8.278 835 1HB GLU 109 1HB GLU 109 15.461 2.735 -10.236 836 2HB GLU 109 2HB GLU 109 16.579 4.010 -10.702 837 1HG GLU 109 1HG GLU 109 18.439 2.722 -9.789 838 2HG GLU 109 2HG GLU 109 17.320 1.444 -9.314 839 H THR 110 H THR 110 13.920 4.060 -7.533 840 HA THR 110 HA THR 110 13.420 6.765 -8.590 841 HB THR 110 HB THR 110 11.001 6.189 -8.624 842 HG1 THR 110 HG1 THR 110 10.610 4.446 -7.445 843 1HG2 THR 110 1HG2 THR 110 12.847 4.497 -10.309 844 2HG2 THR 110 2HG2 THR 110 12.200 6.090 -10.701 845 3HG2 THR 110 3HG2 THR 110 11.124 4.696 -10.626 846 H HIS 111 H HIS 111 12.770 4.477 -5.965 847 HA HIS 111 HA HIS 111 12.605 6.723 -4.107 848 1HB HIS 111 1HB HIS 111 10.463 4.624 -4.450 849 2HB HIS 111 2HB HIS 111 10.614 5.594 -2.987 850 HD1 HIS 111 HD1 HIS 111 9.491 5.750 -6.528 851 HD2 HIS 111 HD2 HIS 111 9.924 8.322 -3.294 852 HE1 HIS 111 HE1 HIS 111 8.232 7.835 -7.153 853 HE2 HIS 111 HE2 HIS 111 8.448 9.349 -5.151 Start of MODEL 3 1 H MET 1 H MET 1 -8.958 12.296 20.355 2 HA MET 1 HA MET 1 -10.977 10.182 19.884 3 1HB MET 1 1HB MET 1 -11.023 12.519 21.805 4 2HB MET 1 2HB MET 1 -12.349 11.402 21.520 5 1HG MET 1 1HG MET 1 -11.011 9.568 22.395 6 2HG MET 1 2HG MET 1 -9.657 10.667 22.650 7 1HE MET 1 1HE MET 1 -11.156 13.291 23.686 8 2HE MET 1 2HE MET 1 -9.677 12.655 24.403 9 3HE MET 1 3HE MET 1 -11.056 13.045 25.429 10 H ALA 2 H ALA 2 -12.268 10.619 18.234 11 HA ALA 2 HA ALA 2 -13.296 11.700 16.517 12 1HB ALA 2 1HB ALA 2 -13.359 13.933 18.543 13 2HB ALA 2 2HB ALA 2 -14.592 12.696 18.291 14 3HB ALA 2 3HB ALA 2 -14.286 13.902 17.042 15 H ASP 3 H ASP 3 -10.341 11.864 16.774 16 HA ASP 3 HA ASP 3 -9.733 14.439 15.548 17 1HB ASP 3 1HB ASP 3 -8.234 13.552 17.305 18 2HB ASP 3 2HB ASP 3 -7.880 12.162 16.283 19 H GLU 4 H GLU 4 -8.645 11.129 14.796 20 HA GLU 4 HA GLU 4 -8.803 11.803 11.946 21 1HB GLU 4 1HB GLU 4 -6.643 10.964 12.807 22 2HB GLU 4 2HB GLU 4 -7.433 9.475 13.306 23 1HG GLU 4 1HG GLU 4 -6.259 9.123 11.238 24 2HG GLU 4 2HG GLU 4 -7.997 9.006 10.963 25 H ASN 5 H ASN 5 -9.765 9.289 14.255 26 HA ASN 5 HA ASN 5 -11.472 8.065 12.224 27 1HB ASN 5 1HB ASN 5 -10.719 7.186 15.017 28 2HB ASN 5 2HB ASN 5 -11.841 6.309 13.982 29 1HD2 ASN 5 1HD2 ASN 5 -10.559 4.489 13.896 30 2HD2 ASN 5 2HD2 ASN 5 -9.079 4.433 13.010 31 H LYS 6 H LYS 6 -13.293 9.210 11.977 32 HA LYS 6 HA LYS 6 -14.826 9.927 14.388 33 1HB LYS 6 1HB LYS 6 -14.171 11.813 12.906 34 2HB LYS 6 2HB LYS 6 -15.066 11.061 11.594 35 1HG LYS 6 1HG LYS 6 -17.134 11.277 12.900 36 2HG LYS 6 2HG LYS 6 -16.222 12.078 14.183 37 1HD LYS 6 1HD LYS 6 -15.570 13.836 12.578 38 2HD LYS 6 2HD LYS 6 -16.559 13.052 11.345 39 1HE LYS 6 1HE LYS 6 -17.758 14.912 12.352 40 2HE LYS 6 2HE LYS 6 -18.547 13.382 12.736 41 1HZ LYS 6 1HZ LYS 6 -16.666 14.775 14.561 42 2HZ LYS 6 2HZ LYS 6 -17.625 13.429 14.918 43 3HZ LYS 6 3HZ LYS 6 -18.348 14.933 14.641 44 H TRP 7 H TRP 7 -15.457 9.112 10.980 45 HA TRP 7 HA TRP 7 -17.917 7.757 11.754 46 1HB TRP 7 1HB TRP 7 -17.847 7.410 9.088 47 2HB TRP 7 2HB TRP 7 -18.460 8.876 9.844 48 HD1 TRP 7 HD1 TRP 7 -14.865 7.740 8.845 49 HE1 TRP 7 HE1 TRP 7 -13.764 9.684 7.566 50 HE3 TRP 7 HE3 TRP 7 -18.746 11.067 8.927 51 HZ2 TRP 7 HZ2 TRP 7 -14.453 12.283 6.703 52 HZ3 TRP 7 HZ3 TRP 7 -18.444 13.258 7.851 53 HH2 TRP 7 HH2 TRP 7 -16.341 13.853 6.763 54 H VAL 8 H VAL 8 -14.757 7.072 10.395 55 HA VAL 8 HA VAL 8 -13.647 5.140 9.932 56 HB VAL 8 HB VAL 8 -15.164 3.746 12.097 57 1HG1 VAL 8 1HG1 VAL 8 -13.013 2.839 12.643 58 2HG1 VAL 8 2HG1 VAL 8 -12.207 3.970 11.557 59 3HG1 VAL 8 3HG1 VAL 8 -13.241 2.702 10.899 60 1HG2 VAL 8 1HG2 VAL 8 -13.771 4.939 13.782 61 2HG2 VAL 8 2HG2 VAL 8 -14.979 5.962 13.006 62 3HG2 VAL 8 3HG2 VAL 8 -13.287 6.070 12.517 63 H ARG 9 H ARG 9 -14.946 2.453 10.746 64 HA ARG 9 HA ARG 9 -16.087 1.948 8.146 65 1HB ARG 9 1HB ARG 9 -14.503 0.372 9.232 66 2HB ARG 9 2HB ARG 9 -15.697 0.072 10.485 67 1HG ARG 9 1HG ARG 9 -17.196 -0.924 8.895 68 2HG ARG 9 2HG ARG 9 -16.125 -0.492 7.560 69 1HD ARG 9 1HD ARG 9 -15.867 -2.839 8.144 70 2HD ARG 9 2HD ARG 9 -14.386 -1.944 8.487 71 HE ARG 9 HE ARG 9 -16.166 -2.216 10.740 72 1HH1 ARG 9 1HH1 ARG 9 -13.513 -3.612 8.966 73 2HH1 ARG 9 2HH1 ARG 9 -12.950 -4.562 10.300 74 1HH2 ARG 9 1HH2 ARG 9 -15.429 -3.460 12.506 75 2HH2 ARG 9 2HH2 ARG 9 -14.037 -4.473 12.313 76 H ARG 10 H ARG 10 -17.319 3.014 11.047 77 HA ARG 10 HA ARG 10 -19.714 1.595 11.300 78 1HB ARG 10 1HB ARG 10 -18.787 3.294 12.922 79 2HB ARG 10 2HB ARG 10 -19.355 4.550 11.829 80 1HG ARG 10 1HG ARG 10 -21.652 3.667 12.083 81 2HG ARG 10 2HG ARG 10 -21.038 2.523 13.278 82 1HD ARG 10 1HD ARG 10 -20.311 4.351 14.695 83 2HD ARG 10 2HD ARG 10 -20.822 5.523 13.482 84 HE ARG 10 HE ARG 10 -22.910 3.765 14.430 85 1HH1 ARG 10 1HH1 ARG 10 -21.253 6.801 14.856 86 2HH1 ARG 10 2HH1 ARG 10 -22.565 7.545 15.708 87 1HH2 ARG 10 1HH2 ARG 10 -24.642 4.737 15.554 88 2HH2 ARG 10 2HH2 ARG 10 -24.490 6.372 16.106 89 H ASP 11 H ASP 11 -21.544 1.554 10.126 90 HA ASP 11 HA ASP 11 -23.085 2.007 8.508 91 1HB ASP 11 1HB ASP 11 -21.859 4.766 8.667 92 2HB ASP 11 2HB ASP 11 -23.286 4.377 7.711 93 H VAL 12 H VAL 12 -20.088 1.422 8.004 94 HA VAL 12 HA VAL 12 -20.234 1.773 5.087 95 HB VAL 12 HB VAL 12 -17.701 2.082 6.709 96 1HG1 VAL 12 1HG1 VAL 12 -18.240 2.522 3.774 97 2HG1 VAL 12 2HG1 VAL 12 -17.346 1.171 4.471 98 3HG1 VAL 12 3HG1 VAL 12 -16.709 2.810 4.600 99 1HG2 VAL 12 1HG2 VAL 12 -19.391 3.947 6.952 100 2HG2 VAL 12 2HG2 VAL 12 -19.159 4.259 5.232 101 3HG2 VAL 12 3HG2 VAL 12 -17.802 4.415 6.347 102 H SER 13 H SER 13 -19.379 0.079 3.862 103 HA SER 13 HA SER 13 -17.974 -2.096 5.101 104 1HB SER 13 1HB SER 13 -19.661 -3.821 4.706 105 2HB SER 13 2HB SER 13 -20.294 -2.588 5.797 106 HG SER 13 HG SER 13 -21.438 -1.705 4.068 107 H THR 14 H THR 14 -18.406 -0.172 2.590 108 HA THR 14 HA THR 14 -17.430 -2.187 0.679 109 HB THR 14 HB THR 14 -19.105 0.121 -0.265 110 HG1 THR 14 HG1 THR 14 -20.329 -2.368 0.028 111 1HG2 THR 14 1HG2 THR 14 -18.528 -2.632 -1.370 112 2HG2 THR 14 2HG2 THR 14 -17.816 -1.117 -1.925 113 3HG2 THR 14 3HG2 THR 14 -19.541 -1.413 -2.142 114 H ALA 15 H ALA 15 -15.980 -0.330 2.376 115 HA ALA 15 HA ALA 15 -15.022 1.746 0.584 116 1HB ALA 15 1HB ALA 15 -14.098 1.059 3.370 117 2HB ALA 15 2HB ALA 15 -15.357 2.230 2.976 118 3HB ALA 15 3HB ALA 15 -13.695 2.512 2.456 119 H LEU 16 H LEU 16 -14.435 -1.457 0.917 120 HA LEU 16 HA LEU 16 -11.597 -1.578 0.867 121 1HB LEU 16 1HB LEU 16 -13.657 -3.559 -0.086 122 2HB LEU 16 2HB LEU 16 -11.944 -3.900 0.072 123 HG LEU 16 HG LEU 16 -12.251 -3.281 2.555 124 1HD1 LEU 16 1HD1 LEU 16 -14.432 -2.278 2.443 125 2HD1 LEU 16 2HD1 LEU 16 -14.531 -3.755 3.403 126 3HD1 LEU 16 3HD1 LEU 16 -15.114 -3.745 1.739 127 1HD2 LEU 16 1HD2 LEU 16 -11.793 -5.534 1.763 128 2HD2 LEU 16 2HD2 LEU 16 -13.507 -5.777 1.423 129 3HD2 LEU 16 3HD2 LEU 16 -12.959 -5.562 3.085 130 H SER 17 H SER 17 -13.931 -0.784 -1.505 131 HA SER 17 HA SER 17 -12.912 -1.679 -3.881 132 1HB SER 17 1HB SER 17 -14.973 -0.330 -3.674 133 2HB SER 17 2HB SER 17 -13.992 1.103 -3.367 134 HG SER 17 HG SER 17 -14.349 -0.343 -5.740 135 H ARG 18 H ARG 18 -11.940 1.295 -2.190 136 HA ARG 18 HA ARG 18 -9.213 1.052 -2.808 137 1HB ARG 18 1HB ARG 18 -10.132 1.577 -5.108 138 2HB ARG 18 2HB ARG 18 -10.600 3.152 -4.479 139 1HG ARG 18 1HG ARG 18 -8.202 3.533 -3.883 140 2HG ARG 18 2HG ARG 18 -7.818 2.041 -4.744 141 1HD ARG 18 1HD ARG 18 -9.121 4.501 -5.906 142 2HD ARG 18 2HD ARG 18 -7.462 3.968 -6.179 143 HE ARG 18 HE ARG 18 -9.065 1.866 -6.953 144 1HH1 ARG 18 1HH1 ARG 18 -8.660 5.206 -7.861 145 2HH1 ARG 18 2HH1 ARG 18 -9.133 4.950 -9.507 146 1HH2 ARG 18 1HH2 ARG 18 -9.691 1.521 -9.119 147 2HH2 ARG 18 2HH2 ARG 18 -9.724 2.858 -10.220 148 H MET 19 H MET 19 -11.853 2.493 -1.411 149 HA MET 19 HA MET 19 -10.978 5.039 -0.679 150 1HB MET 19 1HB MET 19 -12.537 3.412 1.278 151 2HB MET 19 2HB MET 19 -12.760 5.086 0.786 152 1HG MET 19 1HG MET 19 -13.440 4.064 -1.495 153 2HG MET 19 2HG MET 19 -13.663 2.579 -0.567 154 1HE MET 19 1HE MET 19 -16.038 6.490 0.005 155 2HE MET 19 2HE MET 19 -14.768 6.228 -1.190 156 3HE MET 19 3HE MET 19 -14.356 6.369 0.519 157 H GLY 20 H GLY 20 -10.350 1.884 0.755 158 1HA GLY 20 1HA GLY 20 -8.826 1.196 2.322 159 2HA GLY 20 2HA GLY 20 -7.880 2.596 1.845 160 H ASP 21 H ASP 21 -7.332 2.341 4.209 161 HA ASP 21 HA ASP 21 -7.374 3.165 6.318 162 1HB ASP 21 1HB ASP 21 -9.355 5.124 5.141 163 2HB ASP 21 2HB ASP 21 -8.571 5.295 6.709 164 H GLU 22 H GLU 22 -10.752 3.922 5.569 165 HA GLU 22 HA GLU 22 -11.803 2.934 7.940 166 1HB GLU 22 1HB GLU 22 -13.389 2.836 5.394 167 2HB GLU 22 2HB GLU 22 -13.921 3.271 7.011 168 1HG GLU 22 1HG GLU 22 -12.165 4.921 5.208 169 2HG GLU 22 2HG GLU 22 -13.864 5.215 5.575 170 H ALA 23 H ALA 23 -11.355 1.332 4.826 171 HA ALA 23 HA ALA 23 -12.233 -1.206 6.020 172 1HB ALA 23 1HB ALA 23 -11.858 -0.528 3.108 173 2HB ALA 23 2HB ALA 23 -13.394 -0.486 3.973 174 3HB ALA 23 3HB ALA 23 -12.541 -2.014 3.766 175 H PHE 24 H PHE 24 -9.512 0.222 6.158 176 HA PHE 24 HA PHE 24 -7.615 -1.227 4.703 177 1HB PHE 24 1HB PHE 24 -7.398 0.918 6.183 178 2HB PHE 24 2HB PHE 24 -7.024 -0.233 7.462 179 HD1 PHE 24 HD1 PHE 24 -5.221 -2.045 6.789 180 HD2 PHE 24 HD2 PHE 24 -5.662 1.763 4.944 181 HE1 PHE 24 HE1 PHE 24 -2.895 -2.153 6.015 182 HE2 PHE 24 HE2 PHE 24 -3.338 1.663 4.172 183 HZ PHE 24 HZ PHE 24 -1.946 -0.296 4.707 184 H GLU 25 H GLU 25 -8.907 -1.804 7.971 185 HA GLU 25 HA GLU 25 -7.285 -4.037 8.529 186 1HB GLU 25 1HB GLU 25 -9.767 -4.367 9.848 187 2HB GLU 25 2HB GLU 25 -8.223 -3.880 10.527 188 1HG GLU 25 1HG GLU 25 -8.730 -1.543 9.976 189 2HG GLU 25 2HG GLU 25 -10.292 -2.044 9.333 190 HA PRO 26 HA PRO 26 -11.278 -6.725 7.202 191 1HB PRO 26 1HB PRO 26 -11.944 -5.003 4.875 192 2HB PRO 26 2HB PRO 26 -13.013 -5.937 5.925 193 1HG PRO 26 1HG PRO 26 -12.747 -3.239 6.077 194 2HG PRO 26 2HG PRO 26 -13.188 -4.257 7.457 195 1HD PRO 26 1HD PRO 26 -10.692 -2.813 6.925 196 2HD PRO 26 2HD PRO 26 -11.308 -3.471 8.449 197 H LEU 27 H LEU 27 -9.074 -4.813 5.388 198 HA LEU 27 HA LEU 27 -8.676 -6.709 3.256 199 1HB LEU 27 1HB LEU 27 -8.301 -4.661 2.389 200 2HB LEU 27 2HB LEU 27 -7.943 -3.969 3.963 201 HG LEU 27 HG LEU 27 -5.645 -4.944 3.787 202 1HD1 LEU 27 1HD1 LEU 27 -6.442 -5.452 0.923 203 2HD1 LEU 27 2HD1 LEU 27 -6.177 -6.700 2.142 204 3HD1 LEU 27 3HD1 LEU 27 -4.839 -5.674 1.624 205 1HD2 LEU 27 1HD2 LEU 27 -4.889 -3.272 2.094 206 2HD2 LEU 27 2HD2 LEU 27 -5.974 -2.626 3.324 207 3HD2 LEU 27 3HD2 LEU 27 -6.584 -2.980 1.708 208 H LEU 28 H LEU 28 -6.862 -5.446 6.022 209 HA LEU 28 HA LEU 28 -4.595 -7.119 5.688 210 1HB LEU 28 1HB LEU 28 -4.236 -5.162 6.920 211 2HB LEU 28 2HB LEU 28 -5.671 -5.397 7.895 212 HG LEU 28 HG LEU 28 -4.539 -7.268 9.062 213 1HD1 LEU 28 1HD1 LEU 28 -2.097 -7.498 8.800 214 2HD1 LEU 28 2HD1 LEU 28 -2.163 -6.400 7.421 215 3HD1 LEU 28 3HD1 LEU 28 -2.985 -7.959 7.349 216 1HD2 LEU 28 1HD2 LEU 28 -3.069 -4.636 9.095 217 2HD2 LEU 28 2HD2 LEU 28 -2.999 -5.867 10.356 218 3HD2 LEU 28 3HD2 LEU 28 -4.517 -5.034 10.019 219 H GLU 29 H GLU 29 -7.729 -7.655 6.862 220 HA GLU 29 HA GLU 29 -7.133 -9.735 8.733 221 1HB GLU 29 1HB GLU 29 -9.189 -8.375 8.863 222 2HB GLU 29 2HB GLU 29 -9.730 -9.064 7.339 223 1HG GLU 29 1HG GLU 29 -9.789 -11.281 8.365 224 2HG GLU 29 2HG GLU 29 -9.257 -10.582 9.894 225 H SER 30 H SER 30 -7.989 -9.548 5.335 226 HA SER 30 HA SER 30 -8.489 -12.296 4.911 227 1HB SER 30 1HB SER 30 -7.626 -10.130 2.983 228 2HB SER 30 2HB SER 30 -8.183 -11.734 2.504 229 HG SER 30 HG SER 30 -9.764 -10.117 4.179 230 H LEU 31 H LEU 31 -5.555 -10.539 5.309 231 HA LEU 31 HA LEU 31 -3.826 -12.175 3.785 232 1HB LEU 31 1HB LEU 31 -3.267 -10.476 6.213 233 2HB LEU 31 2HB LEU 31 -2.028 -11.227 5.229 234 HG LEU 31 HG LEU 31 -3.979 -9.119 4.293 235 1HD1 LEU 31 1HD1 LEU 31 -2.205 -7.588 4.356 236 2HD1 LEU 31 2HD1 LEU 31 -1.003 -8.860 4.570 237 3HD1 LEU 31 3HD1 LEU 31 -2.104 -8.457 5.887 238 1HD2 LEU 31 1HD2 LEU 31 -2.579 -9.089 2.260 239 2HD2 LEU 31 2HD2 LEU 31 -3.425 -10.619 2.482 240 3HD2 LEU 31 3HD2 LEU 31 -1.709 -10.497 2.867 241 H SER 32 H SER 32 -5.578 -12.899 6.546 242 HA SER 32 HA SER 32 -3.625 -14.877 7.485 243 1HB SER 32 1HB SER 32 -6.211 -13.955 8.763 244 2HB SER 32 2HB SER 32 -5.053 -15.079 9.475 245 HG SER 32 HG SER 32 -3.506 -13.245 9.144 246 H ASN 33 H ASN 33 -5.686 -14.873 5.116 247 HA ASN 33 HA ASN 33 -7.438 -17.045 5.686 248 1HB ASN 33 1HB ASN 33 -7.761 -15.284 3.889 249 2HB ASN 33 2HB ASN 33 -6.544 -16.141 2.947 250 1HD2 ASN 33 1HD2 ASN 33 -8.857 -17.709 5.046 251 2HD2 ASN 33 2HD2 ASN 33 -9.765 -18.476 3.793 252 H GLU 34 H GLU 34 -7.322 -19.196 4.996 253 HA GLU 34 HA GLU 34 -4.787 -20.402 5.151 254 1HB GLU 34 1HB GLU 34 -6.971 -21.439 5.816 255 2HB GLU 34 2HB GLU 34 -7.343 -21.628 4.109 256 1HG GLU 34 1HG GLU 34 -5.463 -23.092 3.814 257 2HG GLU 34 2HG GLU 34 -4.956 -22.825 5.480 258 H ASP 35 H ASP 35 -6.510 -19.040 2.536 259 HA ASP 35 HA ASP 35 -5.150 -20.592 0.496 260 1HB ASP 35 1HB ASP 35 -6.977 -18.192 0.247 261 2HB ASP 35 2HB ASP 35 -6.386 -19.169 -1.093 262 H TRP 36 H TRP 36 -3.939 -19.471 -1.242 263 HA TRP 36 HA TRP 36 -2.188 -17.426 -0.070 264 1HB TRP 36 1HB TRP 36 -1.699 -19.201 -2.473 265 2HB TRP 36 2HB TRP 36 -0.535 -18.105 -1.735 266 HD1 TRP 36 HD1 TRP 36 -1.530 -19.135 1.323 267 HE1 TRP 36 HE1 TRP 36 -0.496 -21.341 2.154 268 HE3 TRP 36 HE3 TRP 36 0.014 -21.059 -3.157 269 HZ2 TRP 36 HZ2 TRP 36 0.799 -23.588 1.067 270 HZ3 TRP 36 HZ3 TRP 36 1.146 -23.245 -3.170 271 HH2 TRP 36 HH2 TRP 36 1.528 -24.479 -1.097 272 H ARG 37 H ARG 37 -4.095 -18.177 -2.941 273 HA ARG 37 HA ARG 37 -3.443 -15.961 -4.497 274 1HB ARG 37 1HB ARG 37 -4.672 -17.873 -5.377 275 2HB ARG 37 2HB ARG 37 -6.039 -17.500 -4.335 276 1HG ARG 37 1HG ARG 37 -6.336 -15.371 -5.520 277 2HG ARG 37 2HG ARG 37 -5.006 -15.807 -6.595 278 1HD ARG 37 1HD ARG 37 -6.229 -17.715 -7.412 279 2HD ARG 37 2HD ARG 37 -7.517 -17.437 -6.240 280 HE ARG 37 HE ARG 37 -7.110 -15.184 -7.945 281 1HH1 ARG 37 1HH1 ARG 37 -8.596 -18.329 -7.757 282 2HH1 ARG 37 2HH1 ARG 37 -9.823 -17.963 -8.923 283 1HH2 ARG 37 1HH2 ARG 37 -8.721 -14.692 -9.484 284 2HH2 ARG 37 2HH2 ARG 37 -9.891 -15.897 -9.909 285 H ILE 38 H ILE 38 -5.798 -16.349 -1.904 286 HA ILE 38 HA ILE 38 -7.173 -13.923 -2.240 287 HB ILE 38 HB ILE 38 -6.663 -15.455 0.313 288 1HG1 ILE 38 1HG1 ILE 38 -7.790 -16.803 -1.390 289 2HG1 ILE 38 2HG1 ILE 38 -8.899 -16.408 -0.081 290 1HG2 ILE 38 1HG2 ILE 38 -8.744 -13.358 -0.295 291 2HG2 ILE 38 2HG2 ILE 38 -7.341 -13.151 0.753 292 3HG2 ILE 38 3HG2 ILE 38 -8.614 -14.286 1.200 293 1HD1 ILE 38 1HD1 ILE 38 -8.787 -15.116 -2.796 294 2HD1 ILE 38 2HD1 ILE 38 -9.844 -14.608 -1.480 295 3HD1 ILE 38 3HD1 ILE 38 -10.029 -16.211 -2.190 296 H ARG 39 H ARG 39 -4.265 -14.738 -0.397 297 HA ARG 39 HA ARG 39 -3.921 -12.248 0.861 298 1HB ARG 39 1HB ARG 39 -1.851 -14.289 0.032 299 2HB ARG 39 2HB ARG 39 -1.549 -12.936 1.112 300 1HG ARG 39 1HG ARG 39 -3.219 -13.853 2.678 301 2HG ARG 39 2HG ARG 39 -3.422 -15.240 1.605 302 1HD ARG 39 1HD ARG 39 -0.960 -15.664 1.847 303 2HD ARG 39 2HD ARG 39 -0.936 -14.418 3.095 304 HE ARG 39 HE ARG 39 -2.758 -15.956 4.134 305 1HH1 ARG 39 1HH1 ARG 39 0.102 -16.969 2.418 306 2HH1 ARG 39 2HH1 ARG 39 0.245 -18.465 3.279 307 1HH2 ARG 39 1HH2 ARG 39 -2.577 -17.924 5.271 308 2HH2 ARG 39 2HH2 ARG 39 -1.276 -19.007 4.901 309 H GLY 40 H GLY 40 -3.351 -13.319 -2.367 310 1HA GLY 40 1HA GLY 40 -1.426 -11.418 -3.169 311 2HA GLY 40 2HA GLY 40 -2.536 -12.268 -4.234 312 H ALA 41 H ALA 41 -4.896 -11.429 -3.974 313 HA ALA 41 HA ALA 41 -5.059 -8.873 -4.993 314 1HB ALA 41 1HB ALA 41 -7.460 -8.972 -4.483 315 2HB ALA 41 2HB ALA 41 -7.175 -10.376 -3.455 316 3HB ALA 41 3HB ALA 41 -6.872 -10.477 -5.190 317 H ALA 42 H ALA 42 -5.077 -9.922 -1.648 318 HA ALA 42 HA ALA 42 -5.919 -7.479 -0.497 319 1HB ALA 42 1HB ALA 42 -4.242 -9.690 0.688 320 2HB ALA 42 2HB ALA 42 -6.001 -9.569 0.741 321 3HB ALA 42 3HB ALA 42 -5.009 -8.388 1.596 322 H ALA 43 H ALA 43 -2.667 -8.906 -0.796 323 HA ALA 43 HA ALA 43 -1.241 -6.668 0.137 324 1HB ALA 43 1HB ALA 43 -0.311 -8.807 -1.772 325 2HB ALA 43 2HB ALA 43 -0.304 -8.933 -0.013 326 3HB ALA 43 3HB ALA 43 0.714 -7.737 -0.816 327 H TRP 44 H TRP 44 -2.655 -7.428 -2.926 328 HA TRP 44 HA TRP 44 -1.124 -5.657 -4.534 329 1HB TRP 44 1HB TRP 44 -3.593 -7.277 -4.877 330 2HB TRP 44 2HB TRP 44 -3.342 -5.948 -6.001 331 HD1 TRP 44 HD1 TRP 44 -0.871 -8.598 -4.596 332 HE1 TRP 44 HE1 TRP 44 0.363 -9.664 -6.585 333 HE3 TRP 44 HE3 TRP 44 -3.205 -6.129 -8.416 334 HZ2 TRP 44 HZ2 TRP 44 0.350 -9.486 -9.398 335 HZ3 TRP 44 HZ3 TRP 44 -2.537 -6.639 -10.729 336 HH2 TRP 44 HH2 TRP 44 -0.796 -8.284 -11.209 337 H ILE 45 H ILE 45 -4.037 -5.261 -2.608 338 HA ILE 45 HA ILE 45 -4.410 -2.563 -3.698 339 HB ILE 45 HB ILE 45 -6.220 -4.040 -1.785 340 1HG1 ILE 45 1HG1 ILE 45 -6.494 -3.741 -4.785 341 2HG1 ILE 45 2HG1 ILE 45 -5.967 -5.212 -3.973 342 1HG2 ILE 45 1HG2 ILE 45 -7.882 -2.383 -2.475 343 2HG2 ILE 45 2HG2 ILE 45 -6.681 -1.605 -3.507 344 3HG2 ILE 45 3HG2 ILE 45 -6.467 -1.613 -1.757 345 1HD1 ILE 45 1HD1 ILE 45 -8.309 -5.334 -4.604 346 2HD1 ILE 45 2HD1 ILE 45 -8.650 -3.888 -3.654 347 3HD1 ILE 45 3HD1 ILE 45 -8.125 -5.368 -2.850 348 H ILE 46 H ILE 46 -3.293 -4.250 -0.927 349 HA ILE 46 HA ILE 46 -3.725 -2.336 1.066 350 HB ILE 46 HB ILE 46 -2.885 -4.809 1.210 351 1HG1 ILE 46 1HG1 ILE 46 -1.652 -2.919 3.184 352 2HG1 ILE 46 2HG1 ILE 46 -3.401 -3.031 3.024 353 1HG2 ILE 46 1HG2 ILE 46 -0.766 -4.363 0.011 354 2HG2 ILE 46 2HG2 ILE 46 -0.527 -5.067 1.610 355 3HG2 ILE 46 3HG2 ILE 46 -0.256 -3.344 1.356 356 1HD1 ILE 46 1HD1 ILE 46 -2.431 -4.430 4.832 357 2HD1 ILE 46 2HD1 ILE 46 -1.616 -5.380 3.589 358 3HD1 ILE 46 3HD1 ILE 46 -3.377 -5.329 3.646 359 H GLY 47 H GLY 47 -1.099 -2.658 -1.276 360 1HA GLY 47 1HA GLY 47 0.499 -0.605 -0.048 361 2HA GLY 47 2HA GLY 47 0.793 -1.365 -1.603 362 H ASN 48 H ASN 48 -2.190 -0.554 -2.140 363 HA ASN 48 HA ASN 48 -1.522 1.779 -3.622 364 1HB ASN 48 1HB ASN 48 -4.260 0.642 -3.026 365 2HB ASN 48 2HB ASN 48 -3.872 1.814 -4.281 366 1HD2 ASN 48 1HD2 ASN 48 -5.123 -0.646 -4.745 367 2HD2 ASN 48 2HD2 ASN 48 -4.067 -1.618 -5.706 368 H PHE 49 H PHE 49 -2.468 1.343 -0.375 369 HA PHE 49 HA PHE 49 -3.645 4.007 -0.184 370 1HB PHE 49 1HB PHE 49 -3.225 1.983 2.018 371 2HB PHE 49 2HB PHE 49 -4.244 3.417 2.079 372 HD1 PHE 49 HD1 PHE 49 -5.482 3.126 -0.683 373 HD2 PHE 49 HD2 PHE 49 -4.845 0.339 2.470 374 HE1 PHE 49 HE1 PHE 49 -7.391 1.794 -1.478 375 HE2 PHE 49 HE2 PHE 49 -6.754 -0.993 1.682 376 HZ PHE 49 HZ PHE 49 -8.028 -0.271 -0.298 377 H GLN 50 H GLN 50 -0.591 2.630 0.029 378 HA GLN 50 HA GLN 50 1.420 3.298 0.874 379 1HB GLN 50 1HB GLN 50 0.041 5.916 0.334 380 2HB GLN 50 2HB GLN 50 1.692 5.854 0.935 381 1HG GLN 50 1HG GLN 50 2.073 5.980 -1.304 382 2HG GLN 50 2HG GLN 50 2.035 4.230 -1.088 383 1HE2 GLN 50 1HE2 GLN 50 0.347 7.010 -2.313 384 2HE2 GLN 50 2HE2 GLN 50 -0.812 6.145 -3.258 385 H ASP 51 H ASP 51 0.331 2.282 2.923 386 HA ASP 51 HA ASP 51 0.619 4.262 5.081 387 1HB ASP 51 1HB ASP 51 -1.764 3.612 4.762 388 2HB ASP 51 2HB ASP 51 -1.318 1.940 5.091 389 H GLU 52 H GLU 52 1.233 3.317 7.177 390 HA GLU 52 HA GLU 52 3.472 1.613 6.925 391 1HB GLU 52 1HB GLU 52 3.534 1.673 9.389 392 2HB GLU 52 2HB GLU 52 3.334 3.277 8.698 393 1HG GLU 52 1HG GLU 52 0.955 3.213 9.195 394 2HG GLU 52 2HG GLU 52 1.124 1.584 9.849 395 H ARG 53 H ARG 53 0.140 1.081 7.879 396 HA ARG 53 HA ARG 53 0.443 -1.540 8.877 397 1HB ARG 53 1HB ARG 53 -1.520 -0.058 9.298 398 2HB ARG 53 2HB ARG 53 -2.023 -0.311 7.632 399 1HG ARG 53 1HG ARG 53 -2.698 -2.461 8.011 400 2HG ARG 53 2HG ARG 53 -1.572 -2.695 9.353 401 1HD ARG 53 1HD ARG 53 -4.050 -0.974 9.415 402 2HD ARG 53 2HD ARG 53 -3.908 -2.589 10.107 403 HE ARG 53 HE ARG 53 -1.916 -0.818 11.120 404 1HH1 ARG 53 1HH1 ARG 53 -5.267 -1.730 11.427 405 2HH1 ARG 53 2HH1 ARG 53 -5.391 -1.206 13.073 406 1HH2 ARG 53 1HH2 ARG 53 -2.073 -0.127 13.286 407 2HH2 ARG 53 2HH2 ARG 53 -3.577 -0.294 14.129 408 H ALA 54 H ALA 54 0.835 -0.384 5.774 409 HA ALA 54 HA ALA 54 -0.031 -2.898 4.517 410 1HB ALA 54 1HB ALA 54 0.147 -1.716 2.393 411 2HB ALA 54 2HB ALA 54 0.743 -0.281 3.228 412 3HB ALA 54 3HB ALA 54 -0.904 -0.843 3.506 413 H VAL 55 H VAL 55 2.681 -1.263 5.651 414 HA VAL 55 HA VAL 55 4.608 -2.143 3.752 415 HB VAL 55 HB VAL 55 5.051 -1.270 6.606 416 1HG1 VAL 55 1HG1 VAL 55 6.976 -2.399 5.673 417 2HG1 VAL 55 2HG1 VAL 55 7.294 -0.669 5.793 418 3HG1 VAL 55 3HG1 VAL 55 6.901 -1.386 4.232 419 1HG2 VAL 55 1HG2 VAL 55 3.806 0.403 5.325 420 2HG2 VAL 55 2HG2 VAL 55 5.045 0.363 4.069 421 3HG2 VAL 55 3HG2 VAL 55 5.442 0.953 5.683 422 H GLU 56 H GLU 56 3.472 -3.444 6.857 423 HA GLU 56 HA GLU 56 5.449 -5.374 7.216 424 1HB GLU 56 1HB GLU 56 3.890 -4.880 8.990 425 2HB GLU 56 2HB GLU 56 2.542 -5.470 8.026 426 1HG GLU 56 1HG GLU 56 3.266 -7.703 8.188 427 2HG GLU 56 2HG GLU 56 4.850 -7.227 8.801 428 HA PRO 57 HA PRO 57 2.279 -8.430 4.772 429 1HB PRO 57 1HB PRO 57 1.815 -6.275 2.743 430 2HB PRO 57 2HB PRO 57 0.785 -7.643 3.180 431 1HG PRO 57 1HG PRO 57 0.268 -5.192 4.096 432 2HG PRO 57 2HG PRO 57 0.018 -6.625 5.110 433 1HD PRO 57 1HD PRO 57 2.112 -4.541 5.277 434 2HD PRO 57 2HD PRO 57 1.464 -5.594 6.545 435 H LEU 58 H LEU 58 3.949 -5.836 2.980 436 HA LEU 58 HA LEU 58 5.070 -7.361 0.990 437 1HB LEU 58 1HB LEU 58 6.019 -4.858 2.346 438 2HB LEU 58 2HB LEU 58 6.908 -5.573 1.015 439 HG LEU 58 HG LEU 58 4.787 -5.385 -0.348 440 1HD1 LEU 58 1HD1 LEU 58 3.170 -5.143 1.403 441 2HD1 LEU 58 2HD1 LEU 58 3.169 -3.686 0.409 442 3HD1 LEU 58 3HD1 LEU 58 3.963 -3.680 1.983 443 1HD2 LEU 58 1HD2 LEU 58 6.057 -2.852 0.670 444 2HD2 LEU 58 2HD2 LEU 58 5.134 -3.013 -0.824 445 3HD2 LEU 58 3HD2 LEU 58 6.665 -3.870 -0.636 446 H ILE 59 H ILE 59 6.261 -6.856 4.271 447 HA ILE 59 HA ILE 59 8.836 -7.848 3.977 448 HB ILE 59 HB ILE 59 7.053 -8.156 6.387 449 1HG1 ILE 59 1HG1 ILE 59 7.232 -5.819 5.643 450 2HG1 ILE 59 2HG1 ILE 59 8.076 -6.068 7.167 451 1HG2 ILE 59 1HG2 ILE 59 9.141 -8.273 7.657 452 2HG2 ILE 59 2HG2 ILE 59 10.059 -8.214 6.152 453 3HG2 ILE 59 3HG2 ILE 59 9.013 -9.593 6.495 454 1HD1 ILE 59 1HD1 ILE 59 10.204 -6.110 6.003 455 2HD1 ILE 59 2HD1 ILE 59 9.324 -4.624 5.647 456 3HD1 ILE 59 3HD1 ILE 59 9.376 -5.925 4.457 457 H LYS 60 H LYS 60 6.046 -9.686 5.225 458 HA LYS 60 HA LYS 60 7.418 -12.176 5.063 459 1HB LYS 60 1HB LYS 60 4.445 -11.753 5.340 460 2HB LYS 60 2HB LYS 60 5.370 -13.170 5.819 461 1HG LYS 60 1HG LYS 60 5.595 -10.429 7.050 462 2HG LYS 60 2HG LYS 60 4.737 -11.807 7.741 463 1HD LYS 60 1HD LYS 60 6.795 -13.046 7.946 464 2HD LYS 60 2HD LYS 60 7.688 -11.773 7.111 465 1HE LYS 60 1HE LYS 60 8.088 -11.553 9.462 466 2HE LYS 60 2HE LYS 60 7.058 -10.217 8.947 467 1HZ LYS 60 1HZ LYS 60 6.130 -12.696 10.296 468 2HZ LYS 60 2HZ LYS 60 5.140 -11.418 9.798 469 3HZ LYS 60 3HZ LYS 60 6.284 -11.175 11.020 470 H LEU 61 H LEU 61 5.946 -10.323 2.690 471 HA LEU 61 HA LEU 61 4.988 -12.573 1.119 472 1HB LEU 61 1HB LEU 61 4.820 -9.617 0.941 473 2HB LEU 61 2HB LEU 61 4.675 -10.530 -0.547 474 HG LEU 61 HG LEU 61 2.666 -11.488 0.071 475 1HD1 LEU 61 1HD1 LEU 61 1.787 -11.551 2.370 476 2HD1 LEU 61 2HD1 LEU 61 3.287 -10.825 2.944 477 3HD1 LEU 61 3HD1 LEU 61 3.309 -12.425 2.204 478 1HD2 LEU 61 1HD2 LEU 61 1.277 -9.662 1.051 479 2HD2 LEU 61 2HD2 LEU 61 2.282 -9.177 -0.313 480 3HD2 LEU 61 3HD2 LEU 61 2.767 -8.763 1.330 481 H LEU 62 H LEU 62 7.447 -10.024 0.753 482 HA LEU 62 HA LEU 62 8.441 -10.796 -1.723 483 1HB LEU 62 1HB LEU 62 9.954 -9.567 0.582 484 2HB LEU 62 2HB LEU 62 10.469 -9.571 -1.096 485 HG LEU 62 HG LEU 62 7.835 -8.351 -0.369 486 1HD1 LEU 62 1HD1 LEU 62 8.929 -6.197 -0.023 487 2HD1 LEU 62 2HD1 LEU 62 10.508 -6.973 -0.138 488 3HD1 LEU 62 3HD1 LEU 62 9.427 -7.369 1.197 489 1HD2 LEU 62 1HD2 LEU 62 8.344 -8.628 -2.715 490 2HD2 LEU 62 2HD2 LEU 62 9.897 -7.818 -2.506 491 3HD2 LEU 62 3HD2 LEU 62 8.396 -6.915 -2.298 492 H GLU 63 H GLU 63 8.636 -12.401 1.255 493 HA GLU 63 HA GLU 63 10.846 -14.085 0.278 494 1HB GLU 63 1HB GLU 63 10.163 -13.006 2.910 495 2HB GLU 63 2HB GLU 63 10.533 -14.725 2.932 496 1HG GLU 63 1HG GLU 63 12.668 -14.233 1.782 497 2HG GLU 63 2HG GLU 63 12.296 -12.515 1.899 498 H ASP 64 H ASP 64 7.532 -13.961 0.835 499 HA ASP 64 HA ASP 64 6.942 -16.553 1.700 500 1HB ASP 64 1HB ASP 64 5.445 -14.378 1.254 501 2HB ASP 64 2HB ASP 64 5.084 -15.269 -0.220 502 H ASP 65 H ASP 65 7.236 -15.232 -1.513 503 HA ASP 65 HA ASP 65 7.644 -16.156 -3.556 504 1HB ASP 65 1HB ASP 65 9.501 -17.255 -2.215 505 2HB ASP 65 2HB ASP 65 8.458 -18.669 -2.093 506 H SER 66 H SER 66 5.052 -16.545 -2.121 507 HA SER 66 HA SER 66 4.075 -19.084 -3.118 508 1HB SER 66 1HB SER 66 3.038 -16.941 -1.350 509 2HB SER 66 2HB SER 66 1.845 -17.887 -2.237 510 HG SER 66 HG SER 66 3.185 -18.567 -0.048 511 H GLY 67 H GLY 67 4.800 -16.413 -4.725 512 1HA GLY 67 1HA GLY 67 4.212 -15.969 -6.956 513 2HA GLY 67 2HA GLY 67 2.742 -16.907 -6.735 514 H PHE 68 H PHE 68 0.872 -15.824 -6.477 515 HA PHE 68 HA PHE 68 0.593 -13.118 -6.891 516 1HB PHE 68 1HB PHE 68 -1.139 -15.215 -6.430 517 2HB PHE 68 2HB PHE 68 -1.414 -14.185 -5.031 518 HD1 PHE 68 HD1 PHE 68 -1.279 -11.494 -6.015 519 HD2 PHE 68 HD2 PHE 68 -2.838 -14.966 -7.927 520 HE1 PHE 68 HE1 PHE 68 -2.786 -10.083 -7.352 521 HE2 PHE 68 HE2 PHE 68 -4.338 -13.555 -9.272 522 HZ PHE 68 HZ PHE 68 -4.313 -11.111 -8.984 523 H VAL 69 H VAL 69 1.277 -14.848 -3.959 524 HA VAL 69 HA VAL 69 0.849 -12.698 -2.143 525 HB VAL 69 HB VAL 69 2.557 -15.172 -1.814 526 1HG1 VAL 69 1HG1 VAL 69 3.124 -13.478 -0.179 527 2HG1 VAL 69 2HG1 VAL 69 2.248 -14.798 0.595 528 3HG1 VAL 69 3HG1 VAL 69 1.422 -13.281 0.241 529 1HG2 VAL 69 1HG2 VAL 69 -0.331 -14.666 -1.113 530 2HG2 VAL 69 2HG2 VAL 69 0.593 -16.084 -0.619 531 3HG2 VAL 69 3HG2 VAL 69 0.281 -15.787 -2.329 532 H ARG 70 H ARG 70 3.790 -14.142 -3.558 533 HA ARG 70 HA ARG 70 5.571 -12.266 -2.398 534 1HB ARG 70 1HB ARG 70 6.223 -14.527 -3.236 535 2HB ARG 70 2HB ARG 70 6.011 -13.933 -4.878 536 1HG ARG 70 1HG ARG 70 7.710 -12.125 -4.235 537 2HG ARG 70 2HG ARG 70 8.083 -13.162 -2.855 538 1HD ARG 70 1HD ARG 70 9.585 -13.554 -4.772 539 2HD ARG 70 2HD ARG 70 8.655 -14.986 -4.337 540 HE ARG 70 HE ARG 70 7.233 -13.646 -6.313 541 1HH1 ARG 70 1HH1 ARG 70 10.297 -15.270 -5.966 542 2HH1 ARG 70 2HH1 ARG 70 10.368 -15.762 -7.625 543 1HH2 ARG 70 1HH2 ARG 70 7.321 -14.289 -8.499 544 2HH2 ARG 70 2HH2 ARG 70 8.677 -15.207 -9.063 545 H SER 71 H SER 71 4.643 -12.656 -5.823 546 HA SER 71 HA SER 71 5.737 -10.338 -6.818 547 1HB SER 71 1HB SER 71 3.157 -11.661 -7.691 548 2HB SER 71 2HB SER 71 4.084 -10.500 -8.642 549 HG SER 71 HG SER 71 4.455 -13.153 -8.367 550 H GLY 72 H GLY 72 2.850 -10.732 -4.917 551 1HA GLY 72 1HA GLY 72 1.521 -8.346 -5.501 552 2HA GLY 72 2HA GLY 72 1.440 -9.190 -3.960 553 H ALA 73 H ALA 73 3.766 -8.979 -2.820 554 HA ALA 73 HA ALA 73 3.953 -6.383 -1.862 555 1HB ALA 73 1HB ALA 73 6.022 -7.080 -0.804 556 2HB ALA 73 2HB ALA 73 6.124 -8.475 -1.879 557 3HB ALA 73 3HB ALA 73 4.819 -8.365 -0.697 558 H ALA 74 H ALA 74 5.933 -8.024 -4.308 559 HA ALA 74 HA ALA 74 7.769 -5.978 -4.781 560 1HB ALA 74 1HB ALA 74 8.228 -7.082 -6.889 561 2HB ALA 74 2HB ALA 74 6.714 -7.980 -6.776 562 3HB ALA 74 3HB ALA 74 8.007 -8.284 -5.617 563 H ARG 75 H ARG 75 4.472 -6.365 -5.774 564 HA ARG 75 HA ARG 75 4.594 -4.324 -7.816 565 1HB ARG 75 1HB ARG 75 3.058 -6.340 -7.873 566 2HB ARG 75 2HB ARG 75 2.130 -5.569 -6.593 567 1HG ARG 75 1HG ARG 75 1.915 -3.582 -8.169 568 2HG ARG 75 2HG ARG 75 2.505 -4.668 -9.428 569 1HD ARG 75 1HD ARG 75 0.626 -6.254 -8.603 570 2HD ARG 75 2HD ARG 75 -0.039 -4.799 -7.854 571 HE ARG 75 HE ARG 75 0.363 -5.187 -10.746 572 1HH1 ARG 75 1HH1 ARG 75 -1.162 -3.557 -8.070 573 2HH1 ARG 75 2HH1 ARG 75 -2.273 -2.681 -9.071 574 1HH2 ARG 75 1HH2 ARG 75 -1.094 -4.040 -12.069 575 2HH2 ARG 75 2HH2 ARG 75 -2.231 -2.954 -11.344 576 H SER 76 H SER 76 3.591 -4.623 -4.469 577 HA SER 76 HA SER 76 2.158 -2.224 -4.228 578 1HB SER 76 1HB SER 76 3.754 -3.692 -2.114 579 2HB SER 76 2HB SER 76 2.522 -2.468 -1.808 580 HG SER 76 HG SER 76 1.054 -3.906 -2.952 581 H LEU 77 H LEU 77 5.606 -2.915 -3.892 582 HA LEU 77 HA LEU 77 6.416 -0.468 -2.800 583 1HB LEU 77 1HB LEU 77 7.869 -2.400 -4.597 584 2HB LEU 77 2HB LEU 77 8.640 -1.009 -3.859 585 HG LEU 77 HG LEU 77 7.268 -2.574 -1.865 586 1HD1 LEU 77 1HD1 LEU 77 7.694 -4.394 -3.491 587 2HD1 LEU 77 2HD1 LEU 77 8.556 -4.592 -1.966 588 3HD1 LEU 77 3HD1 LEU 77 9.415 -4.023 -3.398 589 1HD2 LEU 77 1HD2 LEU 77 10.215 -2.093 -2.221 590 2HD2 LEU 77 2HD2 LEU 77 9.340 -2.404 -0.723 591 3HD2 LEU 77 3HD2 LEU 77 9.106 -0.881 -1.581 592 H GLU 78 H GLU 78 6.602 -1.479 -6.211 593 HA GLU 78 HA GLU 78 7.440 0.867 -7.344 594 1HB GLU 78 1HB GLU 78 5.410 -1.042 -8.509 595 2HB GLU 78 2HB GLU 78 6.383 0.106 -9.418 596 1HG GLU 78 1HG GLU 78 8.384 -1.071 -8.922 597 2HG GLU 78 2HG GLU 78 7.561 -2.094 -7.746 598 H GLN 79 H GLN 79 4.133 0.012 -6.421 599 HA GLN 79 HA GLN 79 2.931 2.309 -7.593 600 1HB GLN 79 1HB GLN 79 1.895 0.570 -5.349 601 2HB GLN 79 2HB GLN 79 0.944 1.683 -6.323 602 1HG GLN 79 1HG GLN 79 1.298 0.355 -8.288 603 2HG GLN 79 2HG GLN 79 2.409 -0.702 -7.420 604 1HE2 GLN 79 1HE2 GLN 79 1.585 -2.140 -5.878 605 2HE2 GLN 79 2HE2 GLN 79 -0.079 -2.599 -5.864 606 H ILE 80 H ILE 80 3.883 1.520 -4.253 607 HA ILE 80 HA ILE 80 3.008 3.913 -3.080 608 HB ILE 80 HB ILE 80 5.227 2.045 -2.226 609 1HG1 ILE 80 1HG1 ILE 80 2.386 2.350 -1.223 610 2HG1 ILE 80 2HG1 ILE 80 2.927 1.095 -2.332 611 1HG2 ILE 80 1HG2 ILE 80 3.920 4.305 -0.712 612 2HG2 ILE 80 2HG2 ILE 80 5.604 4.215 -1.226 613 3HG2 ILE 80 3HG2 ILE 80 4.995 3.101 -0.003 614 1HD1 ILE 80 1HD1 ILE 80 3.873 1.487 0.497 615 2HD1 ILE 80 2HD1 ILE 80 4.436 0.238 -0.612 616 3HD1 ILE 80 3HD1 ILE 80 2.758 0.245 -0.073 617 H GLY 81 H GLY 81 6.366 2.996 -3.903 618 1HA GLY 81 1HA GLY 81 8.203 4.283 -4.390 619 2HA GLY 81 2HA GLY 81 7.067 5.326 -5.231 620 H GLY 82 H GLY 82 8.248 4.599 -1.951 621 1HA GLY 82 1HA GLY 82 8.541 7.455 -1.467 622 2HA GLY 82 2HA GLY 82 7.392 6.616 -0.437 623 H GLU 83 H GLU 83 9.557 7.920 0.641 624 HA GLU 83 HA GLU 83 11.830 6.296 1.045 625 1HB GLU 83 1HB GLU 83 11.825 8.711 1.480 626 2HB GLU 83 2HB GLU 83 10.685 8.480 2.798 627 1HG GLU 83 1HG GLU 83 12.372 7.114 3.971 628 2HG GLU 83 2HG GLU 83 13.513 7.460 2.674 629 H ARG 84 H ARG 84 8.687 6.365 2.511 630 HA ARG 84 HA ARG 84 9.343 4.944 4.876 631 1HB ARG 84 1HB ARG 84 6.977 4.715 5.227 632 2HB ARG 84 2HB ARG 84 7.295 6.330 4.619 633 1HG ARG 84 1HG ARG 84 6.290 4.036 2.945 634 2HG ARG 84 2HG ARG 84 5.273 5.285 3.662 635 1HD ARG 84 1HD ARG 84 7.412 5.639 1.567 636 2HD ARG 84 2HD ARG 84 5.675 5.860 1.372 637 HE ARG 84 HE ARG 84 7.034 7.566 3.307 638 1HH1 ARG 84 1HH1 ARG 84 5.595 7.199 0.156 639 2HH1 ARG 84 2HH1 ARG 84 5.451 8.903 -0.119 640 1HH2 ARG 84 1HH2 ARG 84 6.851 9.812 2.952 641 2HH2 ARG 84 2HH2 ARG 84 6.168 10.388 1.468 642 H VAL 85 H VAL 85 7.867 3.908 1.803 643 HA VAL 85 HA VAL 85 7.844 1.146 2.496 644 HB VAL 85 HB VAL 85 6.402 2.252 0.747 645 1HG1 VAL 85 1HG1 VAL 85 8.051 3.535 -0.428 646 2HG1 VAL 85 2HG1 VAL 85 7.327 2.372 -1.538 647 3HG1 VAL 85 3HG1 VAL 85 8.931 2.071 -0.870 648 1HG2 VAL 85 1HG2 VAL 85 6.402 0.282 -0.738 649 2HG2 VAL 85 2HG2 VAL 85 6.481 -0.157 0.968 650 3HG2 VAL 85 3HG2 VAL 85 7.935 -0.224 -0.028 651 H ARG 86 H ARG 86 10.162 3.315 1.207 652 HA ARG 86 HA ARG 86 11.894 1.675 -0.191 653 1HB ARG 86 1HB ARG 86 12.101 4.135 0.017 654 2HB ARG 86 2HB ARG 86 12.661 3.929 1.670 655 1HG ARG 86 1HG ARG 86 14.609 2.702 0.871 656 2HG ARG 86 2HG ARG 86 14.046 2.882 -0.792 657 1HD ARG 86 1HD ARG 86 14.219 5.306 -0.598 658 2HD ARG 86 2HD ARG 86 14.745 5.144 1.077 659 HE ARG 86 HE ARG 86 16.593 3.701 -0.187 660 1HH1 ARG 86 1HH1 ARG 86 15.278 6.845 -0.914 661 2HH1 ARG 86 2HH1 ARG 86 16.736 7.427 -1.645 662 1HH2 ARG 86 1HH2 ARG 86 18.515 4.458 -1.145 663 2HH2 ARG 86 2HH2 ARG 86 18.578 6.071 -1.774 664 H ALA 87 H ALA 87 11.369 1.917 3.249 665 HA ALA 87 HA ALA 87 13.719 0.606 4.110 666 1HB ALA 87 1HB ALA 87 12.551 0.293 6.227 667 2HB ALA 87 2HB ALA 87 11.023 0.726 5.462 668 3HB ALA 87 3HB ALA 87 12.303 1.930 5.616 669 H ALA 88 H ALA 88 10.626 -0.497 2.930 670 HA ALA 88 HA ALA 88 10.728 -3.169 3.766 671 1HB ALA 88 1HB ALA 88 9.458 -2.103 1.247 672 2HB ALA 88 2HB ALA 88 8.716 -2.070 2.847 673 3HB ALA 88 3HB ALA 88 9.069 -3.614 2.070 674 H MET 89 H MET 89 11.758 -1.716 0.656 675 HA MET 89 HA MET 89 12.828 -4.167 -0.310 676 1HB MET 89 1HB MET 89 13.889 -2.789 -2.070 677 2HB MET 89 2HB MET 89 12.168 -2.498 -1.910 678 1HG MET 89 1HG MET 89 13.232 -0.428 -2.278 679 2HG MET 89 2HG MET 89 12.707 -0.457 -0.594 680 1HE MET 89 1HE MET 89 17.086 -1.083 -1.930 681 2HE MET 89 2HE MET 89 15.761 -0.783 -3.053 682 3HE MET 89 3HE MET 89 15.826 -2.296 -2.150 683 H GLU 90 H GLU 90 14.016 -1.665 1.734 684 HA GLU 90 HA GLU 90 16.791 -2.162 1.423 685 1HB GLU 90 1HB GLU 90 15.116 -0.811 3.511 686 2HB GLU 90 2HB GLU 90 16.812 -1.136 3.835 687 1HG GLU 90 1HG GLU 90 17.455 0.167 1.892 688 2HG GLU 90 2HG GLU 90 15.759 0.454 1.507 689 H LYS 91 H LYS 91 14.297 -3.420 3.568 690 HA LYS 91 HA LYS 91 16.128 -5.084 5.040 691 1HB LYS 91 1HB LYS 91 13.105 -5.123 4.950 692 2HB LYS 91 2HB LYS 91 14.105 -5.988 6.109 693 1HG LYS 91 1HG LYS 91 14.000 -2.994 5.812 694 2HG LYS 91 2HG LYS 91 13.134 -3.929 7.032 695 1HD LYS 91 1HD LYS 91 15.224 -4.697 7.978 696 2HD LYS 91 2HD LYS 91 16.134 -3.891 6.698 697 1HE LYS 91 1HE LYS 91 14.391 -2.528 8.748 698 2HE LYS 91 2HE LYS 91 16.152 -2.599 8.782 699 1HZ LYS 91 1HZ LYS 91 15.347 -0.501 7.877 700 2HZ LYS 91 2HZ LYS 91 14.527 -1.324 6.647 701 3HZ LYS 91 3HZ LYS 91 16.216 -1.368 6.712 702 H LEU 92 H LEU 92 14.330 -5.382 2.110 703 HA LEU 92 HA LEU 92 14.406 -8.279 2.141 704 1HB LEU 92 1HB LEU 92 12.533 -7.795 0.996 705 2HB LEU 92 2HB LEU 92 13.085 -6.184 0.582 706 HG LEU 92 HG LEU 92 14.523 -7.275 -1.201 707 1HD1 LEU 92 1HD1 LEU 92 14.008 -9.480 -1.920 708 2HD1 LEU 92 2HD1 LEU 92 12.663 -9.606 -0.787 709 3HD1 LEU 92 3HD1 LEU 92 14.321 -9.570 -0.186 710 1HD2 LEU 92 1HD2 LEU 92 12.288 -6.101 -1.500 711 2HD2 LEU 92 2HD2 LEU 92 11.575 -7.712 -1.590 712 3HD2 LEU 92 3HD2 LEU 92 12.777 -7.212 -2.778 713 H ALA 93 H ALA 93 16.171 -5.583 0.811 714 HA ALA 93 HA ALA 93 17.623 -6.904 -1.189 715 1HB ALA 93 1HB ALA 93 18.435 -4.545 0.507 716 2HB ALA 93 2HB ALA 93 17.566 -4.485 -1.028 717 3HB ALA 93 3HB ALA 93 19.233 -5.058 -0.979 718 H GLU 94 H GLU 94 17.951 -6.890 2.269 719 HA GLU 94 HA GLU 94 20.630 -7.954 2.282 720 1HB GLU 94 1HB GLU 94 18.586 -7.765 4.505 721 2HB GLU 94 2HB GLU 94 20.281 -8.187 4.711 722 1HG GLU 94 1HG GLU 94 20.923 -5.975 3.880 723 2HG GLU 94 2HG GLU 94 19.219 -5.555 3.709 724 H THR 95 H THR 95 17.404 -9.160 2.178 725 HA THR 95 HA THR 95 18.405 -11.922 2.443 726 HB THR 95 HB THR 95 15.999 -12.511 2.976 727 HG1 THR 95 HG1 THR 95 14.854 -10.735 2.373 728 1HG2 THR 95 1HG2 THR 95 16.135 -11.620 5.338 729 2HG2 THR 95 2HG2 THR 95 17.581 -10.744 4.837 730 3HG2 THR 95 3HG2 THR 95 17.552 -12.507 4.777 731 H GLY 96 H GLY 96 18.274 -10.058 0.145 732 1HA GLY 96 1HA GLY 96 16.176 -10.617 -1.595 733 2HA GLY 96 2HA GLY 96 17.786 -10.115 -2.081 734 H THR 97 H THR 97 15.544 -12.387 -2.517 735 HA THR 97 HA THR 97 17.534 -14.319 -3.467 736 HB THR 97 HB THR 97 15.077 -15.066 -1.868 737 HG1 THR 97 HG1 THR 97 17.708 -15.783 -1.178 738 1HG2 THR 97 1HG2 THR 97 17.189 -16.851 -3.083 739 2HG2 THR 97 2HG2 THR 97 15.556 -16.640 -3.715 740 3HG2 THR 97 3HG2 THR 97 15.800 -17.367 -2.127 741 H GLY 98 H GLY 98 17.134 -15.001 -5.483 742 1HA GLY 98 1HA GLY 98 16.098 -15.253 -7.513 743 2HA GLY 98 2HA GLY 98 14.630 -15.546 -6.593 744 H PHE 99 H PHE 99 13.108 -14.387 -7.577 745 HA PHE 99 HA PHE 99 13.541 -11.924 -8.895 746 1HB PHE 99 1HB PHE 99 11.703 -13.271 -9.594 747 2HB PHE 99 2HB PHE 99 11.046 -13.343 -7.965 748 HD1 PHE 99 HD1 PHE 99 9.253 -12.010 -7.473 749 HD2 PHE 99 HD2 PHE 99 11.917 -10.808 -10.566 750 HE1 PHE 99 HE1 PHE 99 7.800 -10.089 -7.970 751 HE2 PHE 99 HE2 PHE 99 10.468 -8.882 -11.069 752 HZ PHE 99 HZ PHE 99 8.406 -8.522 -9.768 753 H ALA 100 H ALA 100 12.562 -12.759 -5.641 754 HA ALA 100 HA ALA 100 11.480 -10.404 -4.712 755 1HB ALA 100 1HB ALA 100 11.575 -12.460 -3.408 756 2HB ALA 100 2HB ALA 100 12.216 -11.094 -2.494 757 3HB ALA 100 3HB ALA 100 13.318 -12.266 -3.217 758 H ARG 101 H ARG 101 14.897 -11.210 -5.124 759 HA ARG 101 HA ARG 101 15.893 -8.895 -3.804 760 1HB ARG 101 1HB ARG 101 17.188 -10.983 -4.158 761 2HB ARG 101 2HB ARG 101 17.250 -10.610 -5.873 762 1HG ARG 101 1HG ARG 101 18.788 -8.957 -5.607 763 2HG ARG 101 2HG ARG 101 18.221 -8.542 -3.987 764 1HD ARG 101 1HD ARG 101 19.247 -10.550 -3.091 765 2HD ARG 101 2HD ARG 101 19.765 -11.031 -4.708 766 HE ARG 101 HE ARG 101 20.797 -8.487 -4.180 767 1HH1 ARG 101 1HH1 ARG 101 21.146 -11.765 -3.050 768 2HH1 ARG 101 2HH1 ARG 101 22.800 -11.563 -2.580 769 1HH2 ARG 101 1HH2 ARG 101 22.977 -8.214 -3.565 770 2HH2 ARG 101 2HH2 ARG 101 23.841 -9.547 -2.874 771 H LYS 102 H LYS 102 15.890 -9.737 -7.275 772 HA LYS 102 HA LYS 102 16.788 -7.386 -8.342 773 1HB LYS 102 1HB LYS 102 16.401 -9.277 -9.757 774 2HB LYS 102 2HB LYS 102 14.684 -9.282 -9.383 775 1HG LYS 102 1HG LYS 102 14.295 -7.343 -10.666 776 2HG LYS 102 2HG LYS 102 16.020 -6.996 -10.798 777 1HD LYS 102 1HD LYS 102 15.147 -7.923 -12.884 778 2HD LYS 102 2HD LYS 102 16.325 -9.013 -12.150 779 1HE LYS 102 1HE LYS 102 14.458 -10.328 -11.201 780 2HE LYS 102 2HE LYS 102 13.321 -9.268 -12.034 781 1HZ LYS 102 1HZ LYS 102 14.223 -9.972 -14.139 782 2HZ LYS 102 2HZ LYS 102 13.748 -11.332 -13.252 783 3HZ LYS 102 3HZ LYS 102 15.387 -10.931 -13.371 784 H VAL 103 H VAL 103 13.755 -8.006 -6.840 785 HA VAL 103 HA VAL 103 12.269 -5.837 -7.883 786 HB VAL 103 HB VAL 103 12.020 -7.496 -5.383 787 1HG1 VAL 103 1HG1 VAL 103 10.134 -5.326 -6.316 788 2HG1 VAL 103 2HG1 VAL 103 11.131 -5.278 -4.863 789 3HG1 VAL 103 3HG1 VAL 103 9.830 -6.459 -4.999 790 1HG2 VAL 103 1HG2 VAL 103 10.232 -8.562 -6.494 791 2HG2 VAL 103 2HG2 VAL 103 11.527 -8.429 -7.685 792 3HG2 VAL 103 3HG2 VAL 103 10.161 -7.315 -7.739 793 H ALA 104 H ALA 104 13.764 -6.240 -4.675 794 HA ALA 104 HA ALA 104 13.354 -3.732 -3.646 795 1HB ALA 104 1HB ALA 104 15.582 -5.694 -3.232 796 2HB ALA 104 2HB ALA 104 14.180 -5.382 -2.209 797 3HB ALA 104 3HB ALA 104 15.473 -4.190 -2.319 798 H VAL 105 H VAL 105 16.347 -4.781 -5.222 799 HA VAL 105 HA VAL 105 17.685 -2.342 -5.122 800 HB VAL 105 HB VAL 105 18.085 -4.449 -7.239 801 1HG1 VAL 105 1HG1 VAL 105 20.416 -3.674 -7.170 802 2HG1 VAL 105 2HG1 VAL 105 19.957 -2.432 -6.006 803 3HG1 VAL 105 3HG1 VAL 105 19.303 -2.391 -7.643 804 1HG2 VAL 105 1HG2 VAL 105 18.015 -5.466 -5.003 805 2HG2 VAL 105 2HG2 VAL 105 19.260 -4.340 -4.463 806 3HG2 VAL 105 3HG2 VAL 105 19.630 -5.531 -5.709 807 H ASN 106 H ASN 106 16.299 -3.801 -8.080 808 HA ASN 106 HA ASN 106 16.654 -1.583 -9.709 809 1HB ASN 106 1HB ASN 106 14.631 -3.814 -9.857 810 2HB ASN 106 2HB ASN 106 14.820 -2.601 -11.120 811 1HD2 ASN 106 1HD2 ASN 106 16.685 -2.584 -12.371 812 2HD2 ASN 106 2HD2 ASN 106 17.762 -3.934 -12.433 813 H TYR 107 H TYR 107 13.943 -2.353 -7.576 814 HA TYR 107 HA TYR 107 12.136 -0.443 -8.507 815 1HB TYR 107 1HB TYR 107 11.225 -2.006 -7.047 816 2HB TYR 107 2HB TYR 107 12.552 -1.857 -5.905 817 HD1 TYR 107 HD1 TYR 107 12.191 -0.748 -3.973 818 HD2 TYR 107 HD2 TYR 107 9.813 0.248 -7.342 819 HE1 TYR 107 HE1 TYR 107 10.914 0.836 -2.588 820 HE2 TYR 107 HE2 TYR 107 8.523 1.833 -5.977 821 HH TYR 107 HH TYR 107 7.983 2.205 -3.604 822 H LEU 108 H LEU 108 14.574 -0.227 -5.941 823 HA LEU 108 HA LEU 108 14.028 2.315 -5.005 824 1HB LEU 108 1HB LEU 108 15.736 1.848 -3.670 825 2HB LEU 108 2HB LEU 108 15.948 0.362 -4.569 826 HG LEU 108 HG LEU 108 17.402 1.971 -6.128 827 1HD1 LEU 108 1HD1 LEU 108 17.571 3.201 -3.382 828 2HD1 LEU 108 2HD1 LEU 108 16.998 3.984 -4.853 829 3HD1 LEU 108 3HD1 LEU 108 18.692 3.518 -4.706 830 1HD2 LEU 108 1HD2 LEU 108 18.320 0.706 -3.550 831 2HD2 LEU 108 2HD2 LEU 108 19.375 1.202 -4.873 832 3HD2 LEU 108 3HD2 LEU 108 18.192 -0.082 -5.123 833 H GLU 109 H GLU 109 15.407 1.414 -8.029 834 HA GLU 109 HA GLU 109 16.973 3.619 -8.662 835 1HB GLU 109 1HB GLU 109 16.846 1.631 -10.079 836 2HB GLU 109 2HB GLU 109 15.180 2.010 -10.489 837 1HG GLU 109 1HG GLU 109 15.926 4.072 -11.581 838 2HG GLU 109 2HG GLU 109 17.596 3.663 -11.191 839 H THR 110 H THR 110 13.570 3.412 -8.256 840 HA THR 110 HA THR 110 13.087 5.925 -9.664 841 HB THR 110 HB THR 110 10.717 5.516 -9.262 842 HG1 THR 110 HG1 THR 110 10.218 3.387 -8.266 843 1HG2 THR 110 1HG2 THR 110 11.774 4.456 -11.211 844 2HG2 THR 110 2HG2 THR 110 10.451 3.477 -10.579 845 3HG2 THR 110 3HG2 THR 110 12.123 3.026 -10.240 846 H HIS 111 H HIS 111 12.630 4.526 -6.423 847 HA HIS 111 HA HIS 111 12.848 7.235 -5.309 848 1HB HIS 111 1HB HIS 111 10.761 5.156 -4.660 849 2HB HIS 111 2HB HIS 111 11.142 6.474 -3.557 850 HD1 HIS 111 HD1 HIS 111 9.680 5.831 -6.970 851 HD2 HIS 111 HD2 HIS 111 10.040 8.916 -4.212 852 HE1 HIS 111 HE1 HIS 111 8.188 7.668 -7.820 853 HE2 HIS 111 HE2 HIS 111 8.353 9.489 -6.087 Start of MODEL 4 1 H MET 1 H MET 1 -20.763 0.878 20.010 2 HA MET 1 HA MET 1 -18.569 1.779 20.201 3 1HB MET 1 1HB MET 1 -18.830 2.104 17.209 4 2HB MET 1 2HB MET 1 -17.609 2.933 18.165 5 1HG MET 1 1HG MET 1 -16.664 0.817 18.853 6 2HG MET 1 2HG MET 1 -17.931 -0.054 17.992 7 1HE MET 1 1HE MET 1 -15.930 -1.452 16.958 8 2HE MET 1 2HE MET 1 -14.645 -0.435 17.611 9 3HE MET 1 3HE MET 1 -14.700 -0.787 15.883 10 H ALA 2 H ALA 2 -21.048 3.033 17.988 11 HA ALA 2 HA ALA 2 -22.196 4.997 17.925 12 1HB ALA 2 1HB ALA 2 -22.878 5.943 20.074 13 2HB ALA 2 2HB ALA 2 -21.666 4.958 20.894 14 3HB ALA 2 3HB ALA 2 -23.021 4.185 20.071 15 H ASP 3 H ASP 3 -19.088 4.946 18.020 16 HA ASP 3 HA ASP 3 -18.813 7.849 17.978 17 1HB ASP 3 1HB ASP 3 -18.149 7.173 20.257 18 2HB ASP 3 2HB ASP 3 -16.969 6.058 19.577 19 H GLU 4 H GLU 4 -17.560 8.531 16.343 20 HA GLU 4 HA GLU 4 -16.242 8.514 14.495 21 1HB GLU 4 1HB GLU 4 -14.502 7.812 16.107 22 2HB GLU 4 2HB GLU 4 -14.925 6.131 15.811 23 1HG GLU 4 1HG GLU 4 -14.286 6.413 13.451 24 2HG GLU 4 2HG GLU 4 -13.797 8.070 13.804 25 H ASN 5 H ASN 5 -15.986 5.021 14.901 26 HA ASN 5 HA ASN 5 -16.880 4.541 12.240 27 1HB ASN 5 1HB ASN 5 -15.250 3.074 13.331 28 2HB ASN 5 2HB ASN 5 -16.451 2.611 14.531 29 1HD2 ASN 5 1HD2 ASN 5 -15.352 2.231 11.278 30 2HD2 ASN 5 2HD2 ASN 5 -16.383 0.909 10.861 31 H LYS 6 H LYS 6 -18.893 4.409 11.524 32 HA LYS 6 HA LYS 6 -20.959 3.049 12.927 33 1HB LYS 6 1HB LYS 6 -21.003 5.111 14.233 34 2HB LYS 6 2HB LYS 6 -21.156 6.063 12.763 35 1HG LYS 6 1HG LYS 6 -23.301 5.920 13.795 36 2HG LYS 6 2HG LYS 6 -23.329 4.937 12.330 37 1HD LYS 6 1HD LYS 6 -23.006 2.921 13.659 38 2HD LYS 6 2HD LYS 6 -22.920 3.891 15.132 39 1HE LYS 6 1HE LYS 6 -25.211 4.629 14.807 40 2HE LYS 6 2HE LYS 6 -25.303 3.740 13.286 41 1HZ LYS 6 1HZ LYS 6 -26.345 2.488 15.035 42 2HZ LYS 6 2HZ LYS 6 -24.953 2.565 15.990 43 3HZ LYS 6 3HZ LYS 6 -24.939 1.684 14.546 44 H TRP 7 H TRP 7 -19.723 4.796 10.255 45 HA TRP 7 HA TRP 7 -21.545 3.489 8.465 46 1HB TRP 7 1HB TRP 7 -22.487 5.501 7.450 47 2HB TRP 7 2HB TRP 7 -22.915 5.417 9.155 48 HD1 TRP 7 HD1 TRP 7 -21.191 6.978 10.800 49 HE1 TRP 7 HE1 TRP 7 -20.351 9.366 10.334 50 HE3 TRP 7 HE3 TRP 7 -21.927 7.128 5.742 51 HZ2 TRP 7 HZ2 TRP 7 -20.044 11.087 8.119 52 HZ3 TRP 7 HZ3 TRP 7 -21.335 9.184 4.525 53 HH2 TRP 7 HH2 TRP 7 -20.413 11.122 5.691 54 H VAL 8 H VAL 8 -18.604 3.967 9.054 55 HA VAL 8 HA VAL 8 -17.602 5.369 6.759 56 HB VAL 8 HB VAL 8 -16.093 3.507 8.599 57 1HG1 VAL 8 1HG1 VAL 8 -14.914 3.928 6.524 58 2HG1 VAL 8 2HG1 VAL 8 -14.124 4.788 7.845 59 3HG1 VAL 8 3HG1 VAL 8 -15.151 5.665 6.713 60 1HG2 VAL 8 1HG2 VAL 8 -17.110 5.254 9.913 61 2HG2 VAL 8 2HG2 VAL 8 -16.548 6.483 8.781 62 3HG2 VAL 8 3HG2 VAL 8 -15.385 5.585 9.756 63 H ARG 9 H ARG 9 -18.827 4.198 5.158 64 HA ARG 9 HA ARG 9 -19.114 2.653 3.520 65 1HB ARG 9 1HB ARG 9 -16.140 2.469 3.975 66 2HB ARG 9 2HB ARG 9 -16.955 1.636 2.660 67 1HG ARG 9 1HG ARG 9 -16.115 3.609 1.720 68 2HG ARG 9 2HG ARG 9 -17.836 3.910 1.959 69 1HD ARG 9 1HD ARG 9 -17.301 5.082 4.066 70 2HD ARG 9 2HD ARG 9 -15.586 4.837 3.743 71 HE ARG 9 HE ARG 9 -16.119 6.153 1.604 72 1HH1 ARG 9 1HH1 ARG 9 -17.667 6.643 4.686 73 2HH1 ARG 9 2HH1 ARG 9 -17.998 8.319 4.400 74 1HH2 ARG 9 1HH2 ARG 9 -16.547 8.362 1.218 75 2HH2 ARG 9 2HH2 ARG 9 -17.363 9.295 2.428 76 H ARG 10 H ARG 10 -19.181 1.731 6.419 77 HA ARG 10 HA ARG 10 -18.341 -0.986 6.384 78 1HB ARG 10 1HB ARG 10 -19.905 -1.176 8.382 79 2HB ARG 10 2HB ARG 10 -18.600 -0.009 8.528 80 1HG ARG 10 1HG ARG 10 -20.071 1.816 8.174 81 2HG ARG 10 2HG ARG 10 -21.385 0.744 7.686 82 1HD ARG 10 1HD ARG 10 -20.141 0.899 10.430 83 2HD ARG 10 2HD ARG 10 -21.710 1.553 9.963 84 HE ARG 10 HE ARG 10 -21.717 -1.156 9.338 85 1HH1 ARG 10 1HH1 ARG 10 -21.526 0.868 12.170 86 2HH1 ARG 10 2HH1 ARG 10 -22.265 -0.302 13.211 87 1HH2 ARG 10 1HH2 ARG 10 -22.695 -2.695 10.699 88 2HH2 ARG 10 2HH2 ARG 10 -22.936 -2.326 12.374 89 H ASP 11 H ASP 11 -19.140 -2.283 4.851 90 HA ASP 11 HA ASP 11 -20.627 -3.598 3.726 91 1HB ASP 11 1HB ASP 11 -21.713 -3.722 6.027 92 2HB ASP 11 2HB ASP 11 -22.802 -2.455 5.471 93 H VAL 12 H VAL 12 -20.279 -0.510 3.388 94 HA VAL 12 HA VAL 12 -22.564 0.586 2.251 95 HB VAL 12 HB VAL 12 -20.487 1.857 2.747 96 1HG1 VAL 12 1HG1 VAL 12 -19.468 0.518 0.242 97 2HG1 VAL 12 2HG1 VAL 12 -18.836 0.322 1.877 98 3HG1 VAL 12 3HG1 VAL 12 -18.688 1.875 1.054 99 1HG2 VAL 12 1HG2 VAL 12 -22.200 2.869 1.371 100 2HG2 VAL 12 2HG2 VAL 12 -21.539 2.097 -0.070 101 3HG2 VAL 12 3HG2 VAL 12 -20.607 3.333 0.774 102 H SER 13 H SER 13 -20.353 -1.770 0.994 103 HA SER 13 HA SER 13 -22.087 -2.475 -1.142 104 1HB SER 13 1HB SER 13 -21.188 -0.550 -2.273 105 2HB SER 13 2HB SER 13 -19.539 -0.999 -1.838 106 HG SER 13 HG SER 13 -21.043 -1.808 -3.936 107 H THR 14 H THR 14 -18.541 -2.506 -1.006 108 HA THR 14 HA THR 14 -18.654 -5.438 -0.721 109 HB THR 14 HB THR 14 -16.384 -5.412 -1.849 110 HG1 THR 14 HG1 THR 14 -16.779 -2.783 -1.665 111 1HG2 THR 14 1HG2 THR 14 -17.335 -5.198 -4.115 112 2HG2 THR 14 2HG2 THR 14 -18.774 -4.447 -3.425 113 3HG2 THR 14 3HG2 THR 14 -18.383 -6.123 -3.039 114 H ALA 15 H ALA 15 -16.472 -6.309 0.188 115 HA ALA 15 HA ALA 15 -15.977 -4.787 2.634 116 1HB ALA 15 1HB ALA 15 -15.099 -6.846 3.555 117 2HB ALA 15 2HB ALA 15 -15.234 -7.630 1.981 118 3HB ALA 15 3HB ALA 15 -16.687 -7.120 2.841 119 H LEU 16 H LEU 16 -13.859 -6.886 0.651 120 HA LEU 16 HA LEU 16 -11.593 -5.250 1.416 121 1HB LEU 16 1HB LEU 16 -10.216 -6.955 0.661 122 2HB LEU 16 2HB LEU 16 -11.615 -7.805 1.284 123 HG LEU 16 HG LEU 16 -11.192 -7.213 -1.646 124 1HD1 LEU 16 1HD1 LEU 16 -10.573 -9.708 -0.071 125 2HD1 LEU 16 2HD1 LEU 16 -9.414 -8.656 -0.883 126 3HD1 LEU 16 3HD1 LEU 16 -10.571 -9.591 -1.831 127 1HD2 LEU 16 1HD2 LEU 16 -13.500 -7.568 -1.160 128 2HD2 LEU 16 2HD2 LEU 16 -13.131 -8.958 -0.139 129 3HD2 LEU 16 3HD2 LEU 16 -12.875 -9.051 -1.882 130 H SER 17 H SER 17 -13.796 -5.324 -1.145 131 HA SER 17 HA SER 17 -11.954 -4.353 -3.146 132 1HB SER 17 1HB SER 17 -13.770 -5.733 -3.912 133 2HB SER 17 2HB SER 17 -14.957 -4.669 -3.163 134 HG SER 17 HG SER 17 -13.244 -3.430 -4.928 135 H ARG 18 H ARG 18 -14.740 -2.950 -1.372 136 HA ARG 18 HA ARG 18 -13.458 -0.335 -1.621 137 1HB ARG 18 1HB ARG 18 -16.332 -0.778 -2.431 138 2HB ARG 18 2HB ARG 18 -15.461 0.749 -2.451 139 1HG ARG 18 1HG ARG 18 -13.939 -0.178 -4.159 140 2HG ARG 18 2HG ARG 18 -14.904 -1.655 -4.176 141 1HD ARG 18 1HD ARG 18 -16.872 -0.330 -4.838 142 2HD ARG 18 2HD ARG 18 -15.866 1.117 -4.877 143 HE ARG 18 HE ARG 18 -14.841 -0.970 -6.538 144 1HH1 ARG 18 1HH1 ARG 18 -17.183 1.603 -6.369 145 2HH1 ARG 18 2HH1 ARG 18 -17.257 1.823 -8.085 146 1HH2 ARG 18 1HH2 ARG 18 -14.929 -0.687 -8.799 147 2HH2 ARG 18 2HH2 ARG 18 -15.974 0.523 -9.467 148 H MET 19 H MET 19 -13.134 -0.273 0.603 149 HA MET 19 HA MET 19 -15.572 0.227 2.158 150 1HB MET 19 1HB MET 19 -13.507 -1.801 2.691 151 2HB MET 19 2HB MET 19 -13.929 -0.801 4.074 152 1HG MET 19 1HG MET 19 -16.343 -1.368 3.564 153 2HG MET 19 2HG MET 19 -15.713 -2.588 2.460 154 1HE MET 19 1HE MET 19 -16.957 -4.668 5.567 155 2HE MET 19 2HE MET 19 -17.247 -4.253 3.877 156 3HE MET 19 3HE MET 19 -17.651 -3.101 5.149 157 H GLY 20 H GLY 20 -12.673 1.354 1.054 158 1HA GLY 20 1HA GLY 20 -11.568 3.333 1.472 159 2HA GLY 20 2HA GLY 20 -12.798 3.702 2.671 160 H ASP 21 H ASP 21 -12.225 3.672 4.751 161 HA ASP 21 HA ASP 21 -9.512 2.928 5.432 162 1HB ASP 21 1HB ASP 21 -11.734 4.096 7.127 163 2HB ASP 21 2HB ASP 21 -10.065 3.879 7.651 164 H GLU 22 H GLU 22 -12.731 1.687 5.827 165 HA GLU 22 HA GLU 22 -12.024 -0.222 7.858 166 1HB GLU 22 1HB GLU 22 -14.323 0.754 7.574 167 2HB GLU 22 2HB GLU 22 -14.481 -0.189 6.099 168 1HG GLU 22 1HG GLU 22 -14.343 -2.242 7.320 169 2HG GLU 22 2HG GLU 22 -13.959 -1.382 8.810 170 H ALA 23 H ALA 23 -11.064 -0.010 4.809 171 HA ALA 23 HA ALA 23 -11.386 -2.847 4.134 172 1HB ALA 23 1HB ALA 23 -10.165 -0.693 2.419 173 2HB ALA 23 2HB ALA 23 -11.886 -1.064 2.431 174 3HB ALA 23 3HB ALA 23 -10.726 -2.287 1.917 175 H PHE 24 H PHE 24 -9.091 -0.556 5.278 176 HA PHE 24 HA PHE 24 -6.680 -1.671 4.455 177 1HB PHE 24 1HB PHE 24 -7.267 0.509 5.838 178 2HB PHE 24 2HB PHE 24 -6.876 -0.536 7.203 179 HD1 PHE 24 HD1 PHE 24 -5.539 1.880 5.236 180 HD2 PHE 24 HD2 PHE 24 -4.669 -2.072 6.547 181 HE1 PHE 24 HE1 PHE 24 -3.148 2.278 4.840 182 HE2 PHE 24 HE2 PHE 24 -2.279 -1.679 6.155 183 HZ PHE 24 HZ PHE 24 -1.511 0.498 5.300 184 H GLU 25 H GLU 25 -8.490 -2.328 7.462 185 HA GLU 25 HA GLU 25 -6.666 -4.244 8.418 186 1HB GLU 25 1HB GLU 25 -9.245 -4.939 9.340 187 2HB GLU 25 2HB GLU 25 -7.943 -4.159 10.223 188 1HG GLU 25 1HG GLU 25 -8.733 -1.971 9.408 189 2HG GLU 25 2HG GLU 25 -10.076 -2.779 8.603 190 HA PRO 26 HA PRO 26 -9.909 -7.603 6.645 191 1HB PRO 26 1HB PRO 26 -10.476 -5.985 4.195 192 2HB PRO 26 2HB PRO 26 -11.499 -7.164 5.023 193 1HG PRO 26 1HG PRO 26 -11.917 -4.545 5.304 194 2HG PRO 26 2HG PRO 26 -12.135 -5.663 6.661 195 1HD PRO 26 1HD PRO 26 -9.971 -3.696 6.163 196 2HD PRO 26 2HD PRO 26 -10.608 -4.314 7.697 197 H LEU 27 H LEU 27 -7.842 -5.400 4.936 198 HA LEU 27 HA LEU 27 -6.848 -7.211 2.983 199 1HB LEU 27 1HB LEU 27 -5.942 -4.580 4.110 200 2HB LEU 27 2HB LEU 27 -4.969 -5.440 2.923 201 HG LEU 27 HG LEU 27 -7.833 -4.626 2.432 202 1HD1 LEU 27 1HD1 LEU 27 -6.938 -2.758 1.135 203 2HD1 LEU 27 2HD1 LEU 27 -5.307 -3.170 1.661 204 3HD1 LEU 27 3HD1 LEU 27 -6.502 -2.625 2.838 205 1HD2 LEU 27 1HD2 LEU 27 -7.266 -4.996 0.101 206 2HD2 LEU 27 2HD2 LEU 27 -6.958 -6.454 1.045 207 3HD2 LEU 27 3HD2 LEU 27 -5.616 -5.423 0.551 208 H LEU 28 H LEU 28 -5.576 -5.943 6.032 209 HA LEU 28 HA LEU 28 -3.270 -7.623 6.067 210 1HB LEU 28 1HB LEU 28 -2.988 -5.649 7.249 211 2HB LEU 28 2HB LEU 28 -4.590 -5.716 7.951 212 HG LEU 28 HG LEU 28 -3.807 -7.573 9.425 213 1HD1 LEU 28 1HD1 LEU 28 -1.381 -7.887 9.679 214 2HD1 LEU 28 2HD1 LEU 28 -1.113 -6.851 8.277 215 3HD1 LEU 28 3HD1 LEU 28 -1.956 -8.387 8.089 216 1HD2 LEU 28 1HD2 LEU 28 -2.243 -5.003 9.631 217 2HD2 LEU 28 2HD2 LEU 28 -2.580 -6.131 10.944 218 3HD2 LEU 28 3HD2 LEU 28 -3.901 -5.243 10.185 219 H GLU 29 H GLU 29 -6.548 -8.056 6.887 220 HA GLU 29 HA GLU 29 -6.122 -10.133 8.838 221 1HB GLU 29 1HB GLU 29 -8.599 -9.135 7.431 222 2HB GLU 29 2HB GLU 29 -8.613 -10.436 8.615 223 1HG GLU 29 1HG GLU 29 -7.787 -8.937 10.322 224 2HG GLU 29 2HG GLU 29 -7.662 -7.630 9.146 225 H SER 30 H SER 30 -6.986 -9.873 5.441 226 HA SER 30 HA SER 30 -7.538 -12.605 4.989 227 1HB SER 30 1HB SER 30 -8.305 -10.868 3.455 228 2HB SER 30 2HB SER 30 -6.637 -10.459 3.055 229 HG SER 30 HG SER 30 -6.499 -12.173 1.814 230 H LEU 31 H LEU 31 -4.615 -11.066 5.657 231 HA LEU 31 HA LEU 31 -2.838 -12.470 3.983 232 1HB LEU 31 1HB LEU 31 -2.377 -11.314 6.731 233 2HB LEU 31 2HB LEU 31 -1.110 -11.879 5.660 234 HG LEU 31 HG LEU 31 -2.934 -9.514 5.230 235 1HD1 LEU 31 1HD1 LEU 31 -1.051 -9.188 6.778 236 2HD1 LEU 31 2HD1 LEU 31 -0.892 -8.227 5.309 237 3HD1 LEU 31 3HD1 LEU 31 0.061 -9.697 5.509 238 1HD2 LEU 31 1HD2 LEU 31 -2.622 -10.639 3.104 239 2HD2 LEU 31 2HD2 LEU 31 -0.878 -10.697 3.365 240 3HD2 LEU 31 3HD2 LEU 31 -1.686 -9.146 3.143 241 H SER 32 H SER 32 -4.621 -13.451 6.743 242 HA SER 32 HA SER 32 -2.957 -15.855 7.054 243 1HB SER 32 1HB SER 32 -4.179 -16.194 9.179 244 2HB SER 32 2HB SER 32 -3.372 -14.626 9.127 245 HG SER 32 HG SER 32 -5.623 -14.653 9.882 246 H ASN 33 H ASN 33 -5.324 -15.000 5.136 247 HA ASN 33 HA ASN 33 -7.404 -16.850 5.565 248 1HB ASN 33 1HB ASN 33 -7.463 -14.806 4.072 249 2HB ASN 33 2HB ASN 33 -6.545 -15.739 2.893 250 1HD2 ASN 33 1HD2 ASN 33 -9.594 -15.374 4.518 251 2HD2 ASN 33 2HD2 ASN 33 -10.506 -16.389 3.460 252 H GLU 34 H GLU 34 -7.876 -18.814 4.511 253 HA GLU 34 HA GLU 34 -5.679 -20.571 4.236 254 1HB GLU 34 1HB GLU 34 -7.753 -21.435 5.045 255 2HB GLU 34 2HB GLU 34 -8.622 -20.843 3.636 256 1HG GLU 34 1HG GLU 34 -8.367 -23.205 3.458 257 2HG GLU 34 2HG GLU 34 -7.360 -22.428 2.239 258 H ASP 35 H ASP 35 -7.895 -19.081 1.904 259 HA ASP 35 HA ASP 35 -6.636 -20.322 -0.360 260 1HB ASP 35 1HB ASP 35 -8.627 -18.049 -0.198 261 2HB ASP 35 2HB ASP 35 -8.118 -18.838 -1.688 262 H TRP 36 H TRP 36 -5.045 -19.562 -1.622 263 HA TRP 36 HA TRP 36 -3.560 -17.262 -0.731 264 1HB TRP 36 1HB TRP 36 -3.089 -19.011 -3.154 265 2HB TRP 36 2HB TRP 36 -1.939 -17.890 -2.433 266 HD1 TRP 36 HD1 TRP 36 -2.599 -18.860 0.640 267 HE1 TRP 36 HE1 TRP 36 -1.569 -21.090 1.421 268 HE3 TRP 36 HE3 TRP 36 -1.667 -20.975 -3.919 269 HZ2 TRP 36 HZ2 TRP 36 -0.507 -23.425 0.265 270 HZ3 TRP 36 HZ3 TRP 36 -0.642 -23.211 -3.993 271 HH2 TRP 36 HH2 TRP 36 -0.075 -24.406 -1.940 272 H ARG 37 H ARG 37 -5.940 -17.946 -3.110 273 HA ARG 37 HA ARG 37 -5.387 -15.943 -4.999 274 1HB ARG 37 1HB ARG 37 -8.067 -17.078 -4.179 275 2HB ARG 37 2HB ARG 37 -7.751 -16.165 -5.648 276 1HG ARG 37 1HG ARG 37 -6.215 -17.927 -6.397 277 2HG ARG 37 2HG ARG 37 -6.588 -18.849 -4.938 278 1HD ARG 37 1HD ARG 37 -7.887 -19.634 -6.861 279 2HD ARG 37 2HD ARG 37 -8.927 -18.977 -5.598 280 HE ARG 37 HE ARG 37 -8.258 -17.006 -7.540 281 1HH1 ARG 37 1HH1 ARG 37 -10.337 -19.742 -6.952 282 2HH1 ARG 37 2HH1 ARG 37 -11.572 -19.198 -8.037 283 1HH2 ARG 37 1HH2 ARG 37 -9.877 -16.285 -8.968 284 2HH2 ARG 37 2HH2 ARG 37 -11.309 -17.236 -9.186 285 H ILE 38 H ILE 38 -7.483 -15.928 -2.135 286 HA ILE 38 HA ILE 38 -8.187 -13.165 -2.421 287 HB ILE 38 HB ILE 38 -8.462 -14.898 0.039 288 1HG1 ILE 38 1HG1 ILE 38 -10.484 -14.443 -2.166 289 2HG1 ILE 38 2HG1 ILE 38 -9.508 -15.898 -2.005 290 1HG2 ILE 38 1HG2 ILE 38 -9.917 -12.402 -0.834 291 2HG2 ILE 38 2HG2 ILE 38 -8.734 -12.520 0.468 292 3HG2 ILE 38 3HG2 ILE 38 -10.282 -13.351 0.607 293 1HD1 ILE 38 1HD1 ILE 38 -11.584 -14.891 -0.078 294 2HD1 ILE 38 2HD1 ILE 38 -10.534 -16.276 0.216 295 3HD1 ILE 38 3HD1 ILE 38 -11.689 -16.311 -1.117 296 H ARG 39 H ARG 39 -5.854 -15.003 -0.532 297 HA ARG 39 HA ARG 39 -4.987 -12.946 1.172 298 1HB ARG 39 1HB ARG 39 -4.482 -15.479 1.245 299 2HB ARG 39 2HB ARG 39 -3.180 -15.114 0.123 300 1HG ARG 39 1HG ARG 39 -3.393 -13.608 2.691 301 2HG ARG 39 2HG ARG 39 -2.706 -15.231 2.670 302 1HD ARG 39 1HD ARG 39 -1.148 -14.426 0.863 303 2HD ARG 39 2HD ARG 39 -1.734 -12.795 1.190 304 HE ARG 39 HE ARG 39 -0.574 -12.794 3.191 305 1HH1 ARG 39 1HH1 ARG 39 -0.466 -15.957 1.730 306 2HH1 ARG 39 2HH1 ARG 39 0.791 -16.536 2.772 307 1HH2 ARG 39 1HH2 ARG 39 1.084 -13.550 4.564 308 2HH2 ARG 39 2HH2 ARG 39 1.671 -15.169 4.380 309 H GLY 40 H GLY 40 -4.187 -13.768 -2.132 310 1HA GLY 40 1HA GLY 40 -1.877 -12.125 -2.358 311 2HA GLY 40 2HA GLY 40 -2.828 -12.764 -3.691 312 H ALA 41 H ALA 41 -5.177 -11.644 -3.622 313 HA ALA 41 HA ALA 41 -4.959 -9.134 -4.650 314 1HB ALA 41 1HB ALA 41 -6.989 -10.432 -4.847 315 2HB ALA 41 2HB ALA 41 -7.361 -8.848 -4.165 316 3HB ALA 41 3HB ALA 41 -7.297 -10.266 -3.120 317 H ALA 42 H ALA 42 -5.037 -10.035 -1.281 318 HA ALA 42 HA ALA 42 -5.681 -7.584 -0.114 319 1HB ALA 42 1HB ALA 42 -4.538 -8.408 1.879 320 2HB ALA 42 2HB ALA 42 -3.776 -9.682 0.926 321 3HB ALA 42 3HB ALA 42 -5.526 -9.675 1.151 322 H ALA 43 H ALA 43 -2.465 -8.939 -0.797 323 HA ALA 43 HA ALA 43 -0.981 -6.647 -0.099 324 1HB ALA 43 1HB ALA 43 -0.215 -8.765 -2.103 325 2HB ALA 43 2HB ALA 43 -0.086 -8.959 -0.356 326 3HB ALA 43 3HB ALA 43 0.866 -7.722 -1.178 327 H TRP 44 H TRP 44 -2.665 -7.606 -2.984 328 HA TRP 44 HA TRP 44 -1.405 -5.919 -4.849 329 1HB TRP 44 1HB TRP 44 -3.945 -7.466 -4.747 330 2HB TRP 44 2HB TRP 44 -3.774 -6.248 -6.004 331 HD1 TRP 44 HD1 TRP 44 -1.906 -9.377 -4.704 332 HE1 TRP 44 HE1 TRP 44 -0.696 -10.470 -6.692 333 HE3 TRP 44 HE3 TRP 44 -3.027 -5.944 -8.321 334 HZ2 TRP 44 HZ2 TRP 44 -0.269 -9.948 -9.431 335 HZ3 TRP 44 HZ3 TRP 44 -2.179 -6.316 -10.601 336 HH2 TRP 44 HH2 TRP 44 -0.830 -8.277 -11.143 337 H ILE 45 H ILE 45 -4.053 -5.369 -2.614 338 HA ILE 45 HA ILE 45 -4.496 -2.698 -3.738 339 HB ILE 45 HB ILE 45 -6.149 -4.059 -1.612 340 1HG1 ILE 45 1HG1 ILE 45 -6.684 -3.931 -4.589 341 2HG1 ILE 45 2HG1 ILE 45 -6.123 -5.363 -3.734 342 1HG2 ILE 45 1HG2 ILE 45 -6.717 -1.712 -3.421 343 2HG2 ILE 45 2HG2 ILE 45 -6.362 -1.634 -1.695 344 3HG2 ILE 45 3HG2 ILE 45 -7.843 -2.410 -2.256 345 1HD1 ILE 45 1HD1 ILE 45 -8.734 -3.944 -3.262 346 2HD1 ILE 45 2HD1 ILE 45 -8.175 -5.392 -2.424 347 3HD1 ILE 45 3HD1 ILE 45 -8.515 -5.449 -4.154 348 H ILE 46 H ILE 46 -3.091 -4.328 -1.070 349 HA ILE 46 HA ILE 46 -3.375 -2.408 0.940 350 HB ILE 46 HB ILE 46 -2.424 -4.860 0.993 351 1HG1 ILE 46 1HG1 ILE 46 -1.095 -3.053 2.944 352 2HG1 ILE 46 2HG1 ILE 46 -2.849 -2.964 2.813 353 1HG2 ILE 46 1HG2 ILE 46 0.114 -3.233 0.949 354 2HG2 ILE 46 2HG2 ILE 46 -0.408 -4.345 -0.316 355 3HG2 ILE 46 3HG2 ILE 46 -0.021 -4.958 1.292 356 1HD1 ILE 46 1HD1 ILE 46 -1.315 -5.495 3.331 357 2HD1 ILE 46 2HD1 ILE 46 -3.064 -5.281 3.371 358 3HD1 ILE 46 3HD1 ILE 46 -2.052 -4.493 4.581 359 H GLY 47 H GLY 47 -0.965 -2.640 -1.651 360 1HA GLY 47 1HA GLY 47 0.705 -0.579 -0.586 361 2HA GLY 47 2HA GLY 47 0.757 -1.215 -2.223 362 H ASN 48 H ASN 48 -2.332 -0.450 -1.980 363 HA ASN 48 HA ASN 48 -2.080 1.921 -3.529 364 1HB ASN 48 1HB ASN 48 -4.527 0.654 -2.283 365 2HB ASN 48 2HB ASN 48 -4.558 1.968 -3.453 366 1HD2 ASN 48 1HD2 ASN 48 -2.546 -0.949 -3.350 367 2HD2 ASN 48 2HD2 ASN 48 -3.076 -1.576 -4.869 368 H PHE 49 H PHE 49 -2.402 1.333 -0.137 369 HA PHE 49 HA PHE 49 -3.358 4.020 0.419 370 1HB PHE 49 1HB PHE 49 -2.625 1.725 2.239 371 2HB PHE 49 2HB PHE 49 -3.186 3.293 2.812 372 HD1 PHE 49 HD1 PHE 49 -5.486 3.992 2.480 373 HD2 PHE 49 HD2 PHE 49 -4.131 0.171 1.187 374 HE1 PHE 49 HE1 PHE 49 -7.819 3.252 2.238 375 HE2 PHE 49 HE2 PHE 49 -6.462 -0.576 0.942 376 HZ PHE 49 HZ PHE 49 -8.310 0.964 1.466 377 H GLN 50 H GLN 50 -0.361 2.207 0.562 378 HA GLN 50 HA GLN 50 1.804 2.868 0.802 379 1HB GLN 50 1HB GLN 50 0.707 5.678 0.607 380 2HB GLN 50 2HB GLN 50 2.388 5.204 0.413 381 1HG GLN 50 1HG GLN 50 1.969 4.138 -1.627 382 2HG GLN 50 2HG GLN 50 0.228 4.121 -1.357 383 1HE2 GLN 50 1HE2 GLN 50 -0.965 5.970 -1.724 384 2HE2 GLN 50 2HE2 GLN 50 -0.338 7.325 -2.594 385 H ASP 51 H ASP 51 -0.220 2.798 3.110 386 HA ASP 51 HA ASP 51 0.985 4.605 5.033 387 1HB ASP 51 1HB ASP 51 -1.459 4.116 5.051 388 2HB ASP 51 2HB ASP 51 -1.091 2.450 5.482 389 H GLU 52 H GLU 52 1.584 3.633 7.230 390 HA GLU 52 HA GLU 52 3.805 1.936 6.876 391 1HB GLU 52 1HB GLU 52 3.953 1.951 9.342 392 2HB GLU 52 2HB GLU 52 3.758 3.561 8.666 393 1HG GLU 52 1HG GLU 52 1.373 3.496 9.227 394 2HG GLU 52 2HG GLU 52 1.596 1.897 9.936 395 H ARG 53 H ARG 53 0.515 1.316 7.969 396 HA ARG 53 HA ARG 53 0.971 -1.333 8.873 397 1HB ARG 53 1HB ARG 53 -0.987 0.028 9.539 398 2HB ARG 53 2HB ARG 53 -1.607 -0.087 7.898 399 1HG ARG 53 1HG ARG 53 -1.937 -2.439 8.110 400 2HG ARG 53 2HG ARG 53 -1.096 -2.470 9.663 401 1HD ARG 53 1HD ARG 53 -3.700 -1.069 9.065 402 2HD ARG 53 2HD ARG 53 -3.509 -2.564 9.981 403 HE ARG 53 HE ARG 53 -1.969 -0.460 11.111 404 1HH1 ARG 53 1HH1 ARG 53 -5.224 -1.683 10.857 405 2HH1 ARG 53 2HH1 ARG 53 -5.739 -0.985 12.356 406 1HH2 ARG 53 1HH2 ARG 53 -2.640 0.460 13.085 407 2HH2 ARG 53 2HH2 ARG 53 -4.272 0.235 13.620 408 H ALA 54 H ALA 54 1.038 -0.043 5.792 409 HA ALA 54 HA ALA 54 0.195 -2.561 4.525 410 1HB ALA 54 1HB ALA 54 0.233 -1.212 2.410 411 2HB ALA 54 2HB ALA 54 0.540 0.214 3.401 412 3HB ALA 54 3HB ALA 54 -0.962 -0.690 3.599 413 H VAL 55 H VAL 55 2.846 -1.310 5.792 414 HA VAL 55 HA VAL 55 4.699 -1.873 3.623 415 HB VAL 55 HB VAL 55 5.229 -0.959 6.454 416 1HG1 VAL 55 1HG1 VAL 55 7.171 -2.050 5.624 417 2HG1 VAL 55 2HG1 VAL 55 7.450 -0.312 5.499 418 3HG1 VAL 55 3HG1 VAL 55 7.029 -1.244 4.063 419 1HG2 VAL 55 1HG2 VAL 55 5.700 1.229 5.349 420 2HG2 VAL 55 2HG2 VAL 55 4.010 0.735 5.284 421 3HG2 VAL 55 3HG2 VAL 55 5.033 0.562 3.859 422 H GLU 56 H GLU 56 3.633 -3.267 6.671 423 HA GLU 56 HA GLU 56 5.693 -5.127 7.028 424 1HB GLU 56 1HB GLU 56 4.089 -4.622 8.792 425 2HB GLU 56 2HB GLU 56 2.794 -5.347 7.849 426 1HG GLU 56 1HG GLU 56 5.176 -7.003 8.490 427 2HG GLU 56 2HG GLU 56 4.008 -6.669 9.771 428 HA PRO 57 HA PRO 57 2.626 -8.255 4.596 429 1HB PRO 57 1HB PRO 57 1.925 -6.151 2.600 430 2HB PRO 57 2HB PRO 57 0.995 -7.558 3.128 431 1HG PRO 57 1HG PRO 57 0.397 -5.131 4.032 432 2HG PRO 57 2HG PRO 57 0.325 -6.543 5.102 433 1HD PRO 57 1HD PRO 57 2.335 -4.353 4.982 434 2HD PRO 57 2HD PRO 57 1.781 -5.307 6.373 435 H LEU 58 H LEU 58 4.094 -5.545 2.827 436 HA LEU 58 HA LEU 58 5.157 -7.039 0.728 437 1HB LEU 58 1HB LEU 58 6.546 -4.604 1.771 438 2HB LEU 58 2HB LEU 58 6.322 -5.121 0.112 439 HG LEU 58 HG LEU 58 4.205 -3.958 1.921 440 1HD1 LEU 58 1HD1 LEU 58 5.527 -2.871 -0.558 441 2HD1 LEU 58 2HD1 LEU 58 5.798 -2.317 1.094 442 3HD1 LEU 58 3HD1 LEU 58 4.218 -2.102 0.341 443 1HD2 LEU 58 1HD2 LEU 58 3.183 -5.609 0.504 444 2HD2 LEU 58 2HD2 LEU 58 4.018 -4.971 -0.912 445 3HD2 LEU 58 3HD2 LEU 58 2.782 -4.004 -0.106 446 H ILE 59 H ILE 59 6.335 -6.554 3.972 447 HA ILE 59 HA ILE 59 9.033 -7.192 3.539 448 HB ILE 59 HB ILE 59 7.386 -7.625 6.026 449 1HG1 ILE 59 1HG1 ILE 59 7.408 -5.286 5.260 450 2HG1 ILE 59 2HG1 ILE 59 8.311 -5.476 6.759 451 1HG2 ILE 59 1HG2 ILE 59 9.353 -8.947 6.208 452 2HG2 ILE 59 2HG2 ILE 59 9.611 -7.494 7.173 453 3HG2 ILE 59 3HG2 ILE 59 10.362 -7.643 5.585 454 1HD1 ILE 59 1HD1 ILE 59 9.505 -5.265 4.005 455 2HD1 ILE 59 2HD1 ILE 59 10.400 -5.418 5.517 456 3HD1 ILE 59 3HD1 ILE 59 9.432 -3.977 5.206 457 H LYS 60 H LYS 60 6.499 -9.316 4.905 458 HA LYS 60 HA LYS 60 8.145 -11.634 4.668 459 1HB LYS 60 1HB LYS 60 6.510 -11.588 6.412 460 2HB LYS 60 2HB LYS 60 5.209 -11.306 5.263 461 1HG LYS 60 1HG LYS 60 5.051 -13.480 4.696 462 2HG LYS 60 2HG LYS 60 6.789 -13.753 4.827 463 1HD LYS 60 1HD LYS 60 5.727 -15.022 6.542 464 2HD LYS 60 2HD LYS 60 6.531 -13.653 7.312 465 1HE LYS 60 1HE LYS 60 4.409 -12.459 7.427 466 2HE LYS 60 2HE LYS 60 3.599 -13.798 6.615 467 1HZ LYS 60 1HZ LYS 60 3.247 -13.923 8.981 468 2HZ LYS 60 2HZ LYS 60 4.912 -13.899 9.278 469 3HZ LYS 60 3HZ LYS 60 4.211 -15.224 8.492 470 H LEU 61 H LEU 61 5.535 -10.286 2.746 471 HA LEU 61 HA LEU 61 4.959 -12.437 1.101 472 1HB LEU 61 1HB LEU 61 4.726 -9.491 0.853 473 2HB LEU 61 2HB LEU 61 4.483 -10.459 -0.587 474 HG LEU 61 HG LEU 61 2.560 -11.455 0.240 475 1HD1 LEU 61 1HD1 LEU 61 3.342 -12.259 2.362 476 2HD1 LEU 61 2HD1 LEU 61 1.866 -11.330 2.630 477 3HD1 LEU 61 3HD1 LEU 61 3.435 -10.617 3.001 478 1HD2 LEU 61 1HD2 LEU 61 1.167 -9.631 1.125 479 2HD2 LEU 61 2HD2 LEU 61 2.164 -9.125 -0.239 480 3HD2 LEU 61 3HD2 LEU 61 2.625 -8.680 1.403 481 H LEU 62 H LEU 62 7.339 -9.843 0.463 482 HA LEU 62 HA LEU 62 8.135 -10.827 -2.056 483 1HB LEU 62 1HB LEU 62 9.689 -9.168 -0.068 484 2HB LEU 62 2HB LEU 62 10.118 -9.397 -1.753 485 HG LEU 62 HG LEU 62 7.511 -8.152 -0.897 486 1HD1 LEU 62 1HD1 LEU 62 9.451 -6.860 -0.039 487 2HD1 LEU 62 2HD1 LEU 62 8.502 -5.991 -1.246 488 3HD1 LEU 62 3HD1 LEU 62 10.043 -6.722 -1.696 489 1HD2 LEU 62 1HD2 LEU 62 7.510 -7.290 -3.183 490 2HD2 LEU 62 2HD2 LEU 62 7.582 -9.052 -3.166 491 3HD2 LEU 62 3HD2 LEU 62 9.037 -8.113 -3.500 492 H GLU 63 H GLU 63 8.550 -12.074 1.005 493 HA GLU 63 HA GLU 63 10.892 -13.642 0.182 494 1HB GLU 63 1HB GLU 63 11.342 -12.303 2.143 495 2HB GLU 63 2HB GLU 63 9.872 -12.870 2.922 496 1HG GLU 63 1HG GLU 63 10.781 -15.114 3.015 497 2HG GLU 63 2HG GLU 63 12.252 -14.555 2.221 498 H ASP 64 H ASP 64 7.578 -13.682 0.818 499 HA ASP 64 HA ASP 64 7.173 -16.235 1.888 500 1HB ASP 64 1HB ASP 64 5.496 -14.310 1.629 501 2HB ASP 64 2HB ASP 64 5.261 -14.909 -0.011 502 H ASP 65 H ASP 65 7.214 -15.128 -1.420 503 HA ASP 65 HA ASP 65 7.526 -16.179 -3.413 504 1HB ASP 65 1HB ASP 65 8.776 -18.248 -1.605 505 2HB ASP 65 2HB ASP 65 8.803 -18.357 -3.362 506 H SER 66 H SER 66 5.033 -16.583 -1.865 507 HA SER 66 HA SER 66 4.203 -19.282 -2.530 508 1HB SER 66 1HB SER 66 3.351 -18.258 -0.482 509 2HB SER 66 2HB SER 66 2.630 -16.949 -1.415 510 HG SER 66 HG SER 66 1.085 -18.266 -2.111 511 H GLY 67 H GLY 67 4.277 -16.247 -4.067 512 1HA GLY 67 1HA GLY 67 3.869 -16.258 -6.476 513 2HA GLY 67 2HA GLY 67 2.450 -17.252 -6.165 514 H PHE 68 H PHE 68 0.517 -16.255 -5.845 515 HA PHE 68 HA PHE 68 0.090 -13.605 -6.517 516 1HB PHE 68 1HB PHE 68 -1.528 -15.718 -5.844 517 2HB PHE 68 2HB PHE 68 -1.775 -14.636 -4.480 518 HD1 PHE 68 HD1 PHE 68 -1.723 -11.975 -5.711 519 HD2 PHE 68 HD2 PHE 68 -3.411 -15.626 -7.130 520 HE1 PHE 68 HE1 PHE 68 -3.360 -10.709 -7.040 521 HE2 PHE 68 HE2 PHE 68 -5.044 -14.357 -8.459 522 HZ PHE 68 HZ PHE 68 -5.019 -11.896 -8.415 523 H VAL 69 H VAL 69 1.049 -15.043 -3.532 524 HA VAL 69 HA VAL 69 0.546 -12.807 -1.833 525 HB VAL 69 HB VAL 69 2.506 -15.055 -1.361 526 1HG1 VAL 69 1HG1 VAL 69 2.741 -13.300 0.244 527 2HG1 VAL 69 2HG1 VAL 69 1.893 -14.639 1.018 528 3HG1 VAL 69 3HG1 VAL 69 0.996 -13.218 0.485 529 1HG2 VAL 69 1HG2 VAL 69 -0.444 -15.007 -0.738 530 2HG2 VAL 69 2HG2 VAL 69 0.691 -16.293 -0.329 531 3HG2 VAL 69 3HG2 VAL 69 0.315 -15.952 -2.018 532 H ARG 70 H ARG 70 3.554 -14.210 -3.162 533 HA ARG 70 HA ARG 70 5.212 -12.099 -2.277 534 1HB ARG 70 1HB ARG 70 6.041 -14.366 -2.839 535 2HB ARG 70 2HB ARG 70 5.709 -14.042 -4.536 536 1HG ARG 70 1HG ARG 70 7.296 -12.111 -4.384 537 2HG ARG 70 2HG ARG 70 7.725 -12.675 -2.771 538 1HD ARG 70 1HD ARG 70 9.268 -13.420 -4.596 539 2HD ARG 70 2HD ARG 70 8.583 -14.720 -3.624 540 HE ARG 70 HE ARG 70 6.888 -14.487 -5.754 541 1HH1 ARG 70 1HH1 ARG 70 10.310 -15.022 -5.371 542 2HH1 ARG 70 2HH1 ARG 70 10.457 -15.958 -6.820 543 1HH2 ARG 70 1HH2 ARG 70 7.073 -15.724 -7.662 544 2HH2 ARG 70 2HH2 ARG 70 8.618 -16.356 -8.123 545 H SER 71 H SER 71 4.234 -12.925 -5.603 546 HA SER 71 HA SER 71 5.142 -10.660 -6.883 547 1HB SER 71 1HB SER 71 4.216 -12.693 -8.004 548 2HB SER 71 2HB SER 71 2.598 -12.151 -7.558 549 HG SER 71 HG SER 71 3.853 -11.521 -9.717 550 H GLY 72 H GLY 72 2.253 -11.093 -4.961 551 1HA GLY 72 1HA GLY 72 0.829 -8.812 -5.770 552 2HA GLY 72 2HA GLY 72 0.676 -9.605 -4.210 553 H ALA 73 H ALA 73 3.414 -9.218 -3.428 554 HA ALA 73 HA ALA 73 3.196 -6.490 -2.492 555 1HB ALA 73 1HB ALA 73 5.266 -8.604 -1.909 556 2HB ALA 73 2HB ALA 73 3.840 -8.247 -0.935 557 3HB ALA 73 3HB ALA 73 5.124 -7.049 -1.091 558 H ALA 74 H ALA 74 4.919 -8.244 -4.913 559 HA ALA 74 HA ALA 74 7.207 -6.672 -5.211 560 1HB ALA 74 1HB ALA 74 5.630 -8.259 -7.225 561 2HB ALA 74 2HB ALA 74 7.083 -8.752 -6.355 562 3HB ALA 74 3HB ALA 74 7.176 -7.493 -7.587 563 H ARG 75 H ARG 75 4.087 -6.420 -6.923 564 HA ARG 75 HA ARG 75 4.850 -3.930 -8.142 565 1HB ARG 75 1HB ARG 75 2.274 -3.993 -8.730 566 2HB ARG 75 2HB ARG 75 3.432 -5.009 -9.573 567 1HG ARG 75 1HG ARG 75 2.122 -6.724 -9.068 568 2HG ARG 75 2HG ARG 75 2.656 -6.538 -7.397 569 1HD ARG 75 1HD ARG 75 0.349 -4.970 -8.509 570 2HD ARG 75 2HD ARG 75 0.141 -6.590 -7.844 571 HE ARG 75 HE ARG 75 1.292 -5.506 -5.794 572 1HH1 ARG 75 1HH1 ARG 75 -0.951 -3.944 -7.954 573 2HH1 ARG 75 2HH1 ARG 75 -1.587 -2.891 -6.736 574 1HH2 ARG 75 1HH2 ARG 75 0.455 -4.135 -4.186 575 2HH2 ARG 75 2HH2 ARG 75 -0.781 -2.996 -4.592 576 H SER 76 H SER 76 3.443 -4.859 -5.179 577 HA SER 76 HA SER 76 1.828 -2.624 -4.637 578 1HB SER 76 1HB SER 76 1.729 -4.657 -3.276 579 2HB SER 76 2HB SER 76 3.381 -4.383 -2.721 580 HG SER 76 HG SER 76 1.673 -3.653 -1.274 581 H LEU 77 H LEU 77 5.244 -3.280 -3.954 582 HA LEU 77 HA LEU 77 5.858 -0.942 -2.573 583 1HB LEU 77 1HB LEU 77 7.754 -2.237 -4.512 584 2HB LEU 77 2HB LEU 77 8.127 -1.426 -3.002 585 HG LEU 77 HG LEU 77 6.409 -3.758 -2.641 586 1HD1 LEU 77 1HD1 LEU 77 9.132 -4.085 -3.872 587 2HD1 LEU 77 2HD1 LEU 77 7.590 -4.670 -4.494 588 3HD1 LEU 77 3HD1 LEU 77 8.270 -5.369 -3.026 589 1HD2 LEU 77 1HD2 LEU 77 9.024 -2.818 -1.488 590 2HD2 LEU 77 2HD2 LEU 77 8.184 -4.274 -0.961 591 3HD2 LEU 77 3HD2 LEU 77 7.424 -2.697 -0.761 592 H GLU 78 H GLU 78 6.388 -1.611 -6.034 593 HA GLU 78 HA GLU 78 7.114 0.943 -6.819 594 1HB GLU 78 1HB GLU 78 5.577 -1.138 -8.385 595 2HB GLU 78 2HB GLU 78 6.342 0.280 -9.087 596 1HG GLU 78 1HG GLU 78 8.523 -0.525 -8.317 597 2HG GLU 78 2HG GLU 78 7.745 -1.958 -7.646 598 H GLN 79 H GLN 79 3.920 -0.417 -6.277 599 HA GLN 79 HA GLN 79 2.449 1.730 -7.416 600 1HB GLN 79 1HB GLN 79 1.443 -0.484 -7.034 601 2HB GLN 79 2HB GLN 79 1.617 -0.269 -5.297 602 1HG GLN 79 1HG GLN 79 0.013 1.475 -5.264 603 2HG GLN 79 2HG GLN 79 -0.006 1.579 -7.022 604 1HE2 GLN 79 1HE2 GLN 79 -0.087 -1.380 -5.078 605 2HE2 GLN 79 2HE2 GLN 79 -1.661 -1.867 -5.585 606 H ILE 80 H ILE 80 4.076 1.258 -4.424 607 HA ILE 80 HA ILE 80 2.663 3.328 -3.002 608 HB ILE 80 HB ILE 80 5.062 1.630 -2.353 609 1HG1 ILE 80 1HG1 ILE 80 2.382 1.947 -0.982 610 2HG1 ILE 80 2HG1 ILE 80 2.749 0.700 -2.168 611 1HG2 ILE 80 1HG2 ILE 80 5.063 2.717 -0.109 612 2HG2 ILE 80 2HG2 ILE 80 3.971 3.945 -0.751 613 3HG2 ILE 80 3HG2 ILE 80 5.597 3.775 -1.415 614 1HD1 ILE 80 1HD1 ILE 80 2.887 -0.156 0.100 615 2HD1 ILE 80 2HD1 ILE 80 4.110 1.053 0.492 616 3HD1 ILE 80 3HD1 ILE 80 4.461 -0.206 -0.692 617 H GLY 81 H GLY 81 6.089 2.961 -3.980 618 1HA GLY 81 1HA GLY 81 7.679 4.529 -4.517 619 2HA GLY 81 2HA GLY 81 6.352 5.450 -5.207 620 H GLY 82 H GLY 82 8.437 5.028 -2.454 621 1HA GLY 82 1HA GLY 82 8.369 7.692 -1.675 622 2HA GLY 82 2HA GLY 82 7.147 6.870 -0.719 623 H GLU 83 H GLU 83 9.102 8.027 0.659 624 HA GLU 83 HA GLU 83 11.432 6.507 1.097 625 1HB GLU 83 1HB GLU 83 11.208 8.833 1.836 626 2HB GLU 83 2HB GLU 83 9.967 8.359 2.987 627 1HG GLU 83 1HG GLU 83 11.647 6.927 4.123 628 2HG GLU 83 2HG GLU 83 12.872 7.573 3.031 629 H ARG 84 H ARG 84 8.174 6.146 2.202 630 HA ARG 84 HA ARG 84 8.615 4.594 4.495 631 1HB ARG 84 1HB ARG 84 6.253 3.675 3.889 632 2HB ARG 84 2HB ARG 84 6.435 5.362 4.344 633 1HG ARG 84 1HG ARG 84 6.634 4.748 1.459 634 2HG ARG 84 2HG ARG 84 5.048 4.554 2.205 635 1HD ARG 84 1HD ARG 84 6.756 7.040 2.307 636 2HD ARG 84 2HD ARG 84 5.358 6.795 1.262 637 HE ARG 84 HE ARG 84 4.388 6.365 3.764 638 1HH1 ARG 84 1HH1 ARG 84 6.129 8.971 2.239 639 2HH1 ARG 84 2HH1 ARG 84 5.432 10.197 3.245 640 1HH2 ARG 84 1HH2 ARG 84 3.465 7.974 5.094 641 2HH2 ARG 84 2HH2 ARG 84 3.918 9.631 4.866 642 H VAL 85 H VAL 85 7.757 3.524 1.210 643 HA VAL 85 HA VAL 85 8.226 0.778 1.777 644 HB VAL 85 HB VAL 85 6.743 1.693 -0.045 645 1HG1 VAL 85 1HG1 VAL 85 7.699 2.287 -2.163 646 2HG1 VAL 85 2HG1 VAL 85 9.327 1.989 -1.557 647 3HG1 VAL 85 3HG1 VAL 85 8.379 3.330 -0.915 648 1HG2 VAL 85 1HG2 VAL 85 8.805 -0.389 -0.736 649 2HG2 VAL 85 2HG2 VAL 85 7.312 -0.126 -1.635 650 3HG2 VAL 85 3HG2 VAL 85 7.246 -0.651 0.047 651 H ARG 86 H ARG 86 10.184 3.432 0.835 652 HA ARG 86 HA ARG 86 12.288 2.262 -0.521 653 1HB ARG 86 1HB ARG 86 11.904 4.731 0.116 654 2HB ARG 86 2HB ARG 86 12.736 4.339 1.613 655 1HG ARG 86 1HG ARG 86 14.015 3.694 -1.004 656 2HG ARG 86 2HG ARG 86 14.050 5.345 -0.385 657 1HD ARG 86 1HD ARG 86 15.060 4.503 1.706 658 2HD ARG 86 2HD ARG 86 15.088 2.883 1.014 659 HE ARG 86 HE ARG 86 16.455 4.269 -0.815 660 1HH1 ARG 86 1HH1 ARG 86 16.693 4.194 2.661 661 2HH1 ARG 86 2HH1 ARG 86 18.391 4.535 2.680 662 1HH2 ARG 86 1HH2 ARG 86 18.690 4.718 -0.798 663 2HH2 ARG 86 2HH2 ARG 86 19.525 4.835 0.716 664 H ALA 87 H ALA 87 11.521 2.163 2.889 665 HA ALA 87 HA ALA 87 14.014 0.977 3.680 666 1HB ALA 87 1HB ALA 87 12.898 0.652 5.858 667 2HB ALA 87 2HB ALA 87 11.390 1.229 5.148 668 3HB ALA 87 3HB ALA 87 12.777 2.311 5.274 669 H ALA 88 H ALA 88 10.842 -0.153 2.727 670 HA ALA 88 HA ALA 88 10.961 -2.790 3.618 671 1HB ALA 88 1HB ALA 88 8.947 -1.685 2.690 672 2HB ALA 88 2HB ALA 88 9.257 -3.272 1.985 673 3HB ALA 88 3HB ALA 88 9.658 -1.813 1.080 674 H MET 89 H MET 89 12.313 -1.264 0.744 675 HA MET 89 HA MET 89 13.105 -3.686 -0.527 676 1HB MET 89 1HB MET 89 14.733 -1.284 -1.060 677 2HB MET 89 2HB MET 89 13.944 -2.378 -2.181 678 1HG MET 89 1HG MET 89 12.765 -0.054 -0.719 679 2HG MET 89 2HG MET 89 12.940 -0.285 -2.460 680 1HE MET 89 1HE MET 89 11.704 -2.377 -3.701 681 2HE MET 89 2HE MET 89 10.343 -3.250 -3.000 682 3HE MET 89 3HE MET 89 11.974 -3.531 -2.394 683 H GLU 90 H GLU 90 14.907 -1.221 1.283 684 HA GLU 90 HA GLU 90 17.380 -2.469 1.346 685 1HB GLU 90 1HB GLU 90 16.108 -0.797 3.523 686 2HB GLU 90 2HB GLU 90 17.825 -1.139 3.370 687 1HG GLU 90 1HG GLU 90 17.887 0.065 1.253 688 2HG GLU 90 2HG GLU 90 16.159 0.393 1.386 689 H LYS 91 H LYS 91 14.482 -3.129 3.155 690 HA LYS 91 HA LYS 91 15.745 -4.802 5.114 691 1HB LYS 91 1HB LYS 91 12.886 -4.275 4.349 692 2HB LYS 91 2HB LYS 91 13.302 -5.530 5.508 693 1HG LYS 91 1HG LYS 91 14.077 -2.636 5.798 694 2HG LYS 91 2HG LYS 91 12.649 -3.368 6.534 695 1HD LYS 91 1HD LYS 91 14.152 -4.986 7.684 696 2HD LYS 91 2HD LYS 91 15.533 -4.095 7.042 697 1HE LYS 91 1HE LYS 91 15.054 -3.407 9.326 698 2HE LYS 91 2HE LYS 91 14.768 -2.080 8.201 699 1HZ LYS 91 1HZ LYS 91 12.986 -2.177 9.775 700 2HZ LYS 91 2HZ LYS 91 12.710 -3.815 9.453 701 3HZ LYS 91 3HZ LYS 91 12.384 -2.653 8.267 702 H LEU 92 H LEU 92 14.268 -5.312 1.963 703 HA LEU 92 HA LEU 92 14.299 -8.189 2.316 704 1HB LEU 92 1HB LEU 92 12.486 -7.744 1.045 705 2HB LEU 92 2HB LEU 92 13.167 -6.262 0.400 706 HG LEU 92 HG LEU 92 14.582 -7.673 -1.107 707 1HD1 LEU 92 1HD1 LEU 92 13.931 -9.984 -1.485 708 2HD1 LEU 92 2HD1 LEU 92 12.721 -9.875 -0.208 709 3HD1 LEU 92 3HD1 LEU 92 14.433 -9.766 0.191 710 1HD2 LEU 92 1HD2 LEU 92 12.702 -8.194 -2.642 711 2HD2 LEU 92 2HD2 LEU 92 12.618 -6.574 -1.953 712 3HD2 LEU 92 3HD2 LEU 92 11.582 -7.855 -1.325 713 H ALA 93 H ALA 93 16.208 -5.679 0.848 714 HA ALA 93 HA ALA 93 17.765 -7.144 -0.928 715 1HB ALA 93 1HB ALA 93 19.432 -5.369 -0.683 716 2HB ALA 93 2HB ALA 93 18.591 -4.778 0.751 717 3HB ALA 93 3HB ALA 93 17.804 -4.706 -0.826 718 H GLU 94 H GLU 94 17.924 -6.871 2.555 719 HA GLU 94 HA GLU 94 20.486 -8.173 2.767 720 1HB GLU 94 1HB GLU 94 18.401 -7.539 4.865 721 2HB GLU 94 2HB GLU 94 20.012 -8.159 5.203 722 1HG GLU 94 1HG GLU 94 19.350 -5.516 3.920 723 2HG GLU 94 2HG GLU 94 19.915 -5.770 5.572 724 H THR 95 H THR 95 17.169 -9.092 2.629 725 HA THR 95 HA THR 95 17.912 -11.898 3.183 726 HB THR 95 HB THR 95 15.500 -12.269 3.737 727 HG1 THR 95 HG1 THR 95 15.112 -9.976 2.667 728 1HG2 THR 95 1HG2 THR 95 17.100 -11.977 5.539 729 2HG2 THR 95 2HG2 THR 95 15.578 -11.192 5.961 730 3HG2 THR 95 3HG2 THR 95 16.950 -10.224 5.421 731 H GLY 96 H GLY 96 18.198 -10.492 0.723 732 1HA GLY 96 1HA GLY 96 16.207 -10.648 -1.140 733 2HA GLY 96 2HA GLY 96 17.905 -10.893 -1.507 734 H THR 97 H THR 97 15.008 -12.150 -1.976 735 HA THR 97 HA THR 97 16.089 -14.829 -2.421 736 HB THR 97 HB THR 97 13.386 -14.425 -1.127 737 HG1 THR 97 HG1 THR 97 14.696 -15.565 0.650 738 1HG2 THR 97 1HG2 THR 97 15.053 -16.890 -1.644 739 2HG2 THR 97 2HG2 THR 97 13.554 -16.450 -2.463 740 3HG2 THR 97 3HG2 THR 97 13.535 -16.860 -0.748 741 H GLY 98 H GLY 98 15.531 -15.592 -4.382 742 1HA GLY 98 1HA GLY 98 14.483 -15.776 -6.419 743 2HA GLY 98 2HA GLY 98 13.047 -15.117 -5.651 744 H PHE 99 H PHE 99 12.419 -13.714 -7.242 745 HA PHE 99 HA PHE 99 14.310 -11.895 -8.457 746 1HB PHE 99 1HB PHE 99 12.600 -11.298 -9.918 747 2HB PHE 99 2HB PHE 99 12.189 -12.963 -9.528 748 HD1 PHE 99 HD1 PHE 99 10.668 -13.071 -7.242 749 HD2 PHE 99 HD2 PHE 99 10.842 -9.865 -10.035 750 HE1 PHE 99 HE1 PHE 99 8.429 -12.339 -6.537 751 HE2 PHE 99 HE2 PHE 99 8.606 -9.125 -9.330 752 HZ PHE 99 HZ PHE 99 7.396 -10.362 -7.579 753 H ALA 100 H ALA 100 12.183 -11.888 -5.753 754 HA ALA 100 HA ALA 100 11.489 -9.247 -5.428 755 1HB ALA 100 1HB ALA 100 12.406 -11.081 -3.218 756 2HB ALA 100 2HB ALA 100 10.799 -11.104 -3.944 757 3HB ALA 100 3HB ALA 100 11.349 -9.678 -3.064 758 H ARG 101 H ARG 101 14.561 -10.807 -4.661 759 HA ARG 101 HA ARG 101 15.836 -8.716 -3.349 760 1HB ARG 101 1HB ARG 101 16.830 -10.896 -3.410 761 2HB ARG 101 2HB ARG 101 16.915 -10.860 -5.165 762 1HG ARG 101 1HG ARG 101 18.651 -9.262 -5.148 763 2HG ARG 101 2HG ARG 101 18.414 -8.921 -3.432 764 1HD ARG 101 1HD ARG 101 19.268 -11.048 -2.808 765 2HD ARG 101 2HD ARG 101 19.253 -11.616 -4.478 766 HE ARG 101 HE ARG 101 20.910 -9.420 -4.454 767 1HH1 ARG 101 1HH1 ARG 101 20.804 -12.504 -2.836 768 2HH1 ARG 101 2HH1 ARG 101 22.525 -12.633 -2.696 769 1HH2 ARG 101 1HH2 ARG 101 23.176 -9.586 -4.279 770 2HH2 ARG 101 2HH2 ARG 101 23.872 -10.977 -3.518 771 H LYS 102 H LYS 102 16.184 -9.580 -6.787 772 HA LYS 102 HA LYS 102 17.607 -7.343 -7.603 773 1HB LYS 102 1HB LYS 102 17.430 -9.206 -9.077 774 2HB LYS 102 2HB LYS 102 15.674 -9.137 -9.072 775 1HG LYS 102 1HG LYS 102 15.846 -6.923 -10.227 776 2HG LYS 102 2HG LYS 102 17.580 -7.213 -10.377 777 1HD LYS 102 1HD LYS 102 15.485 -9.114 -11.410 778 2HD LYS 102 2HD LYS 102 16.202 -7.835 -12.391 779 1HE LYS 102 1HE LYS 102 18.419 -8.801 -12.030 780 2HE LYS 102 2HE LYS 102 17.708 -10.074 -11.038 781 1HZ LYS 102 1HZ LYS 102 18.076 -10.910 -13.232 782 2HZ LYS 102 2HZ LYS 102 17.249 -9.613 -13.935 783 3HZ LYS 102 3HZ LYS 102 16.406 -10.751 -13.010 784 H VAL 103 H VAL 103 14.259 -7.707 -6.858 785 HA VAL 103 HA VAL 103 13.299 -5.407 -8.236 786 HB VAL 103 HB VAL 103 12.168 -7.151 -6.064 787 1HG1 VAL 103 1HG1 VAL 103 10.049 -5.910 -6.273 788 2HG1 VAL 103 2HG1 VAL 103 10.861 -4.718 -7.289 789 3HG1 VAL 103 3HG1 VAL 103 11.338 -4.912 -5.602 790 1HG2 VAL 103 1HG2 VAL 103 11.374 -6.647 -8.930 791 2HG2 VAL 103 2HG2 VAL 103 10.552 -7.738 -7.814 792 3HG2 VAL 103 3HG2 VAL 103 12.211 -8.070 -8.310 793 H ALA 104 H ALA 104 14.051 -6.034 -4.805 794 HA ALA 104 HA ALA 104 13.369 -3.582 -3.742 795 1HB ALA 104 1HB ALA 104 15.601 -5.420 -2.910 796 2HB ALA 104 2HB ALA 104 13.924 -5.485 -2.369 797 3HB ALA 104 3HB ALA 104 14.938 -4.113 -1.929 798 H VAL 105 H VAL 105 16.590 -4.571 -4.814 799 HA VAL 105 HA VAL 105 17.882 -2.145 -4.319 800 HB VAL 105 HB VAL 105 18.621 -4.224 -6.377 801 1HG1 VAL 105 1HG1 VAL 105 19.848 -2.206 -6.773 802 2HG1 VAL 105 2HG1 VAL 105 20.928 -3.358 -5.986 803 3HG1 VAL 105 3HG1 VAL 105 20.219 -2.036 -5.057 804 1HG2 VAL 105 1HG2 VAL 105 19.984 -5.230 -4.662 805 2HG2 VAL 105 2HG2 VAL 105 18.318 -5.129 -4.092 806 3HG2 VAL 105 3HG2 VAL 105 19.522 -3.978 -3.510 807 H ASN 106 H ASN 106 16.955 -3.452 -7.515 808 HA ASN 106 HA ASN 106 17.587 -1.184 -8.987 809 1HB ASN 106 1HB ASN 106 15.558 -3.349 -9.532 810 2HB ASN 106 2HB ASN 106 16.012 -2.119 -10.709 811 1HD2 ASN 106 1HD2 ASN 106 18.793 -2.081 -9.760 812 2HD2 ASN 106 2HD2 ASN 106 19.521 -3.512 -10.396 813 H TYR 107 H TYR 107 14.603 -1.919 -7.241 814 HA TYR 107 HA TYR 107 12.978 0.021 -8.455 815 1HB TYR 107 1HB TYR 107 11.870 -1.648 -7.240 816 2HB TYR 107 2HB TYR 107 12.913 -1.446 -5.840 817 HD1 TYR 107 HD1 TYR 107 12.013 -0.468 -4.032 818 HD2 TYR 107 HD2 TYR 107 10.530 0.632 -7.850 819 HE1 TYR 107 HE1 TYR 107 10.383 1.030 -2.954 820 HE2 TYR 107 HE2 TYR 107 8.892 2.131 -6.797 821 HH TYR 107 HH TYR 107 9.059 3.040 -3.548 822 H LEU 108 H LEU 108 15.358 0.168 -5.926 823 HA LEU 108 HA LEU 108 14.671 2.540 -4.658 824 1HB LEU 108 1HB LEU 108 17.339 1.260 -5.187 825 2HB LEU 108 2HB LEU 108 17.170 2.707 -4.222 826 HG LEU 108 HG LEU 108 15.790 0.105 -3.581 827 1HD1 LEU 108 1HD1 LEU 108 18.227 -0.151 -3.472 828 2HD1 LEU 108 2HD1 LEU 108 17.486 -0.218 -1.873 829 3HD1 LEU 108 3HD1 LEU 108 18.319 1.245 -2.397 830 1HD2 LEU 108 1HD2 LEU 108 15.556 1.174 -1.346 831 2HD2 LEU 108 2HD2 LEU 108 14.655 1.987 -2.625 832 3HD2 LEU 108 3HD2 LEU 108 16.174 2.671 -2.046 833 H GLU 109 H GLU 109 15.727 2.100 -7.867 834 HA GLU 109 HA GLU 109 17.013 4.636 -8.200 835 1HB GLU 109 1HB GLU 109 16.092 2.472 -10.052 836 2HB GLU 109 2HB GLU 109 16.545 4.041 -10.705 837 1HG GLU 109 1HG GLU 109 18.396 2.462 -10.781 838 2HG GLU 109 2HG GLU 109 18.757 3.836 -9.736 839 H THR 110 H THR 110 13.897 3.978 -7.541 840 HA THR 110 HA THR 110 12.879 6.168 -9.228 841 HB THR 110 HB THR 110 10.628 5.283 -8.858 842 HG1 THR 110 HG1 THR 110 11.172 2.856 -7.905 843 1HG2 THR 110 1HG2 THR 110 10.785 3.325 -10.238 844 2HG2 THR 110 2HG2 THR 110 12.464 3.067 -9.765 845 3HG2 THR 110 3HG2 THR 110 12.032 4.460 -10.756 846 H HIS 111 H HIS 111 12.202 4.718 -6.034 847 HA HIS 111 HA HIS 111 12.168 7.424 -4.895 848 1HB HIS 111 1HB HIS 111 10.064 5.288 -4.561 849 2HB HIS 111 2HB HIS 111 10.235 6.628 -3.432 850 HD1 HIS 111 HD1 HIS 111 8.961 8.679 -3.995 851 HD2 HIS 111 HD2 HIS 111 9.528 6.243 -7.313 852 HE1 HIS 111 HE1 HIS 111 7.647 9.753 -5.850 853 HE2 HIS 111 HE2 HIS 111 8.068 8.305 -7.867 Start of MODEL 5 1 H MET 1 H MET 1 -21.402 17.544 -0.422 2 HA MET 1 HA MET 1 -20.844 15.481 -1.533 3 1HB MET 1 1HB MET 1 -22.180 17.517 -3.329 4 2HB MET 1 2HB MET 1 -22.320 15.771 -3.486 5 1HG MET 1 1HG MET 1 -23.382 15.667 -1.280 6 2HG MET 1 2HG MET 1 -23.265 17.421 -1.152 7 1HE MET 1 1HE MET 1 -24.239 15.245 -4.386 8 2HE MET 1 2HE MET 1 -25.972 15.119 -4.086 9 3HE MET 1 3HE MET 1 -24.827 14.397 -2.956 10 H ALA 2 H ALA 2 -20.151 14.459 -3.529 11 HA ALA 2 HA ALA 2 -18.650 14.017 -5.170 12 1HB ALA 2 1HB ALA 2 -18.441 16.992 -5.582 13 2HB ALA 2 2HB ALA 2 -19.750 16.001 -6.225 14 3HB ALA 2 3HB ALA 2 -18.090 15.713 -6.745 15 H ASP 3 H ASP 3 -17.123 17.114 -4.466 16 HA ASP 3 HA ASP 3 -14.566 15.995 -4.168 17 1HB ASP 3 1HB ASP 3 -14.911 18.337 -4.797 18 2HB ASP 3 2HB ASP 3 -15.599 18.675 -3.213 19 H GLU 4 H GLU 4 -17.051 16.819 -1.830 20 HA GLU 4 HA GLU 4 -15.383 16.336 0.460 21 1HB GLU 4 1HB GLU 4 -18.383 16.619 0.219 22 2HB GLU 4 2HB GLU 4 -17.493 16.570 1.735 23 1HG GLU 4 1HG GLU 4 -16.370 18.626 1.204 24 2HG GLU 4 2HG GLU 4 -17.094 18.648 -0.403 25 H ASN 5 H ASN 5 -16.925 14.834 2.149 26 HA ASN 5 HA ASN 5 -16.188 12.219 1.543 27 1HB ASN 5 1HB ASN 5 -18.401 13.119 3.402 28 2HB ASN 5 2HB ASN 5 -17.627 11.537 3.413 29 1HD2 ASN 5 1HD2 ASN 5 -17.353 14.865 4.267 30 2HD2 ASN 5 2HD2 ASN 5 -15.899 14.728 5.190 31 H LYS 6 H LYS 6 -16.872 11.098 -0.153 32 HA LYS 6 HA LYS 6 -19.756 10.801 -0.558 33 1HB LYS 6 1HB LYS 6 -18.987 12.499 -2.164 34 2HB LYS 6 2HB LYS 6 -17.776 11.379 -2.771 35 1HG LYS 6 1HG LYS 6 -20.606 10.501 -2.821 36 2HG LYS 6 2HG LYS 6 -20.104 11.737 -3.975 37 1HD LYS 6 1HD LYS 6 -18.269 10.240 -4.709 38 2HD LYS 6 2HD LYS 6 -18.889 8.997 -3.620 39 1HE LYS 6 1HE LYS 6 -21.034 9.043 -4.835 40 2HE LYS 6 2HE LYS 6 -20.354 10.228 -5.951 41 1HZ LYS 6 1HZ LYS 6 -20.211 8.059 -6.920 42 2HZ LYS 6 2HZ LYS 6 -19.433 7.433 -5.556 43 3HZ LYS 6 3HZ LYS 6 -18.644 8.568 -6.531 44 H TRP 7 H TRP 7 -16.505 9.605 -0.907 45 HA TRP 7 HA TRP 7 -17.484 7.001 -1.819 46 1HB TRP 7 1HB TRP 7 -14.662 8.061 -1.551 47 2HB TRP 7 2HB TRP 7 -15.089 6.469 -2.169 48 HD1 TRP 7 HD1 TRP 7 -15.466 10.200 -3.092 49 HE1 TRP 7 HE1 TRP 7 -15.727 10.370 -5.647 50 HE3 TRP 7 HE3 TRP 7 -15.690 5.221 -4.217 51 HZ2 TRP 7 HZ2 TRP 7 -15.995 8.623 -7.848 52 HZ3 TRP 7 HZ3 TRP 7 -15.952 4.552 -6.571 53 HH2 TRP 7 HH2 TRP 7 -16.102 6.220 -8.347 54 H VAL 8 H VAL 8 -18.025 5.600 -0.304 55 HA VAL 8 HA VAL 8 -16.220 4.879 1.791 56 HB VAL 8 HB VAL 8 -17.169 6.822 2.887 57 1HG1 VAL 8 1HG1 VAL 8 -19.845 5.542 2.349 58 2HG1 VAL 8 2HG1 VAL 8 -19.239 7.052 1.671 59 3HG1 VAL 8 3HG1 VAL 8 -19.586 6.937 3.396 60 1HG2 VAL 8 1HG2 VAL 8 -18.025 5.775 4.909 61 2HG2 VAL 8 2HG2 VAL 8 -16.681 4.843 4.250 62 3HG2 VAL 8 3HG2 VAL 8 -18.338 4.283 4.021 63 H ARG 9 H ARG 9 -19.502 4.725 0.500 64 HA ARG 9 HA ARG 9 -19.477 1.927 0.224 65 1HB ARG 9 1HB ARG 9 -21.233 1.357 1.896 66 2HB ARG 9 2HB ARG 9 -19.704 1.829 2.625 67 1HG ARG 9 1HG ARG 9 -20.618 4.081 3.023 68 2HG ARG 9 2HG ARG 9 -22.165 3.543 2.364 69 1HD ARG 9 1HD ARG 9 -22.355 1.873 4.117 70 2HD ARG 9 2HD ARG 9 -20.777 2.335 4.754 71 HE ARG 9 HE ARG 9 -22.677 4.495 4.634 72 1HH1 ARG 9 1HH1 ARG 9 -21.439 1.852 6.537 73 2HH1 ARG 9 2HH1 ARG 9 -21.955 2.528 8.046 74 1HH2 ARG 9 1HH2 ARG 9 -23.360 5.391 6.616 75 2HH2 ARG 9 2HH2 ARG 9 -23.047 4.539 8.091 76 H ARG 10 H ARG 10 -21.058 4.972 0.202 77 HA ARG 10 HA ARG 10 -23.580 4.290 -0.777 78 1HB ARG 10 1HB ARG 10 -21.844 6.710 -1.282 79 2HB ARG 10 2HB ARG 10 -23.492 6.579 -1.877 80 1HG ARG 10 1HG ARG 10 -24.260 6.295 0.465 81 2HG ARG 10 2HG ARG 10 -22.602 6.585 0.998 82 1HD ARG 10 1HD ARG 10 -22.647 8.789 -0.054 83 2HD ARG 10 2HD ARG 10 -24.293 8.495 -0.611 84 HE ARG 10 HE ARG 10 -23.972 8.259 2.237 85 1HH1 ARG 10 1HH1 ARG 10 -24.580 10.443 -0.409 86 2HH1 ARG 10 2HH1 ARG 10 -25.376 11.621 0.578 87 1HH2 ARG 10 1HH2 ARG 10 -25.019 9.805 3.544 88 2HH2 ARG 10 2HH2 ARG 10 -25.627 11.259 2.825 89 H ASP 11 H ASP 11 -24.048 3.108 -2.497 90 HA ASP 11 HA ASP 11 -24.152 2.406 -4.669 91 1HB ASP 11 1HB ASP 11 -23.597 4.783 -5.287 92 2HB ASP 11 2HB ASP 11 -21.897 4.323 -5.282 93 H VAL 12 H VAL 12 -20.826 3.010 -3.569 94 HA VAL 12 HA VAL 12 -19.673 0.833 -4.962 95 HB VAL 12 HB VAL 12 -18.578 2.052 -2.432 96 1HG1 VAL 12 1HG1 VAL 12 -17.234 0.852 -4.849 97 2HG1 VAL 12 2HG1 VAL 12 -17.416 0.081 -3.274 98 3HG1 VAL 12 3HG1 VAL 12 -16.416 1.525 -3.439 99 1HG2 VAL 12 1HG2 VAL 12 -18.375 3.131 -5.241 100 2HG2 VAL 12 2HG2 VAL 12 -17.459 3.721 -3.854 101 3HG2 VAL 12 3HG2 VAL 12 -19.215 3.884 -3.885 102 H SER 13 H SER 13 -20.819 -1.048 -4.567 103 HA SER 13 HA SER 13 -21.335 -1.934 -1.872 104 1HB SER 13 1HB SER 13 -22.943 -2.468 -3.626 105 2HB SER 13 2HB SER 13 -21.702 -3.337 -4.531 106 HG SER 13 HG SER 13 -23.256 -4.206 -2.509 107 H THR 14 H THR 14 -18.748 -2.170 -4.078 108 HA THR 14 HA THR 14 -17.666 -4.673 -3.485 109 HB THR 14 HB THR 14 -15.492 -3.739 -4.157 110 HG1 THR 14 HG1 THR 14 -15.841 -1.373 -4.922 111 1HG2 THR 14 1HG2 THR 14 -17.030 -4.423 -5.903 112 2HG2 THR 14 2HG2 THR 14 -16.149 -2.985 -6.418 113 3HG2 THR 14 3HG2 THR 14 -17.818 -2.846 -5.863 114 H ALA 15 H ALA 15 -16.474 -5.479 -1.832 115 HA ALA 15 HA ALA 15 -16.277 -3.814 0.561 116 1HB ALA 15 1HB ALA 15 -15.930 -5.910 1.764 117 2HB ALA 15 2HB ALA 15 -15.936 -6.789 0.235 118 3HB ALA 15 3HB ALA 15 -17.394 -5.961 0.781 119 H LEU 16 H LEU 16 -14.180 -6.354 -0.830 120 HA LEU 16 HA LEU 16 -11.873 -5.151 0.421 121 1HB LEU 16 1HB LEU 16 -12.081 -7.542 -1.404 122 2HB LEU 16 2HB LEU 16 -10.633 -7.045 -0.550 123 HG LEU 16 HG LEU 16 -12.010 -7.352 1.597 124 1HD1 LEU 16 1HD1 LEU 16 -14.213 -7.494 0.666 125 2HD1 LEU 16 2HD1 LEU 16 -13.805 -9.055 1.377 126 3HD1 LEU 16 3HD1 LEU 16 -13.738 -8.838 -0.372 127 1HD2 LEU 16 1HD2 LEU 16 -11.268 -9.721 -0.114 128 2HD2 LEU 16 2HD2 LEU 16 -11.530 -9.763 1.629 129 3HD2 LEU 16 3HD2 LEU 16 -10.193 -8.826 0.961 130 H SER 17 H SER 17 -13.413 -4.858 -2.611 131 HA SER 17 HA SER 17 -11.105 -4.345 -4.196 132 1HB SER 17 1HB SER 17 -13.919 -3.373 -4.709 133 2HB SER 17 2HB SER 17 -12.629 -3.563 -5.892 134 HG SER 17 HG SER 17 -13.534 -5.751 -4.363 135 H ARG 18 H ARG 18 -13.491 -2.179 -2.654 136 HA ARG 18 HA ARG 18 -11.541 -0.217 -2.037 137 1HB ARG 18 1HB ARG 18 -11.694 0.095 -4.511 138 2HB ARG 18 2HB ARG 18 -13.393 0.500 -4.316 139 1HG ARG 18 1HG ARG 18 -12.616 2.603 -4.279 140 2HG ARG 18 2HG ARG 18 -12.288 2.241 -2.583 141 1HD ARG 18 1HD ARG 18 -10.322 1.907 -4.846 142 2HD ARG 18 2HD ARG 18 -10.364 3.276 -3.735 143 HE ARG 18 HE ARG 18 -10.134 0.719 -2.436 144 1HH1 ARG 18 1HH1 ARG 18 -8.411 3.365 -3.910 145 2HH1 ARG 18 2HH1 ARG 18 -6.930 3.037 -3.073 146 1HH2 ARG 18 1HH2 ARG 18 -8.187 0.281 -1.329 147 2HH2 ARG 18 2HH2 ARG 18 -6.803 1.284 -1.607 148 H MET 19 H MET 19 -12.289 0.718 -0.255 149 HA MET 19 HA MET 19 -15.152 1.360 -0.065 150 1HB MET 19 1HB MET 19 -13.461 -0.003 2.032 151 2HB MET 19 2HB MET 19 -15.006 0.756 2.387 152 1HG MET 19 1HG MET 19 -14.793 -1.330 0.260 153 2HG MET 19 2HG MET 19 -14.911 -1.784 1.960 154 1HE MET 19 1HE MET 19 -17.016 -1.502 3.438 155 2HE MET 19 2HE MET 19 -18.386 -0.475 3.016 156 3HE MET 19 3HE MET 19 -16.798 0.242 3.292 157 H GLY 20 H GLY 20 -11.847 2.105 0.653 158 1HA GLY 20 1HA GLY 20 -10.933 4.213 1.013 159 2HA GLY 20 2HA GLY 20 -12.557 4.861 1.181 160 H ASP 21 H ASP 21 -9.930 3.232 2.815 161 HA ASP 21 HA ASP 21 -9.280 3.163 4.986 162 1HB ASP 21 1HB ASP 21 -11.368 5.327 5.337 163 2HB ASP 21 2HB ASP 21 -10.180 4.865 6.553 164 H GLU 22 H GLU 22 -12.293 2.265 3.955 165 HA GLU 22 HA GLU 22 -13.085 1.189 6.569 166 1HB GLU 22 1HB GLU 22 -14.638 1.519 3.996 167 2HB GLU 22 2HB GLU 22 -15.263 0.696 5.420 168 1HG GLU 22 1HG GLU 22 -14.361 3.565 5.366 169 2HG GLU 22 2HG GLU 22 -16.033 3.032 5.196 170 H ALA 23 H ALA 23 -11.631 0.368 3.639 171 HA ALA 23 HA ALA 23 -12.241 -2.486 3.972 172 1HB ALA 23 1HB ALA 23 -12.704 -1.722 1.750 173 2HB ALA 23 2HB ALA 23 -11.254 -2.724 1.691 174 3HB ALA 23 3HB ALA 23 -11.116 -0.967 1.624 175 H PHE 24 H PHE 24 -10.044 -0.278 4.920 176 HA PHE 24 HA PHE 24 -7.537 -1.327 4.352 177 1HB PHE 24 1HB PHE 24 -8.249 0.885 5.507 178 2HB PHE 24 2HB PHE 24 -8.150 -0.051 6.993 179 HD1 PHE 24 HD1 PHE 24 -6.050 0.116 3.914 180 HD2 PHE 24 HD2 PHE 24 -6.246 0.469 8.149 181 HE1 PHE 24 HE1 PHE 24 -3.632 0.515 3.988 182 HE2 PHE 24 HE2 PHE 24 -3.825 0.872 8.228 183 HZ PHE 24 HZ PHE 24 -2.511 0.899 6.146 184 H GLU 25 H GLU 25 -9.368 -1.810 7.406 185 HA GLU 25 HA GLU 25 -7.562 -3.732 8.404 186 1HB GLU 25 1HB GLU 25 -10.236 -4.186 9.372 187 2HB GLU 25 2HB GLU 25 -8.802 -3.681 10.247 188 1HG GLU 25 1HG GLU 25 -10.528 -1.802 8.656 189 2HG GLU 25 2HG GLU 25 -10.723 -2.102 10.382 190 HA PRO 26 HA PRO 26 -10.892 -7.083 6.948 191 1HB PRO 26 1HB PRO 26 -11.942 -6.256 4.481 192 2HB PRO 26 2HB PRO 26 -12.825 -6.347 6.007 193 1HG PRO 26 1HG PRO 26 -11.576 -4.001 4.677 194 2HG PRO 26 2HG PRO 26 -13.055 -4.087 5.648 195 1HD PRO 26 1HD PRO 26 -10.794 -3.046 6.636 196 2HD PRO 26 2HD PRO 26 -11.888 -4.005 7.654 197 H LEU 27 H LEU 27 -8.983 -4.927 5.036 198 HA LEU 27 HA LEU 27 -8.119 -6.845 3.099 199 1HB LEU 27 1HB LEU 27 -7.838 -4.791 2.199 200 2HB LEU 27 2HB LEU 27 -7.712 -4.025 3.772 201 HG LEU 27 HG LEU 27 -5.337 -4.830 3.871 202 1HD1 LEU 27 1HD1 LEU 27 -4.261 -5.467 1.780 203 2HD1 LEU 27 2HD1 LEU 27 -5.817 -5.416 0.952 204 3HD1 LEU 27 3HD1 LEU 27 -5.526 -6.619 2.207 205 1HD2 LEU 27 1HD2 LEU 27 -5.681 -2.554 3.400 206 2HD2 LEU 27 2HD2 LEU 27 -6.290 -2.895 1.781 207 3HD2 LEU 27 3HD2 LEU 27 -4.580 -3.119 2.143 208 H LEU 28 H LEU 28 -6.926 -5.425 6.078 209 HA LEU 28 HA LEU 28 -4.480 -6.892 6.188 210 1HB LEU 28 1HB LEU 28 -4.460 -4.913 7.436 211 2HB LEU 28 2HB LEU 28 -6.070 -5.182 8.075 212 HG LEU 28 HG LEU 28 -4.983 -7.149 9.371 213 1HD1 LEU 28 1HD1 LEU 28 -2.858 -7.162 8.208 214 2HD1 LEU 28 2HD1 LEU 28 -2.620 -6.778 9.912 215 3HD1 LEU 28 3HD1 LEU 28 -2.555 -5.496 8.702 216 1HD2 LEU 28 1HD2 LEU 28 -4.446 -5.685 11.211 217 2HD2 LEU 28 2HD2 LEU 28 -5.869 -5.076 10.366 218 3HD2 LEU 28 3HD2 LEU 28 -4.300 -4.311 10.117 219 H GLU 29 H GLU 29 -7.754 -7.533 6.872 220 HA GLU 29 HA GLU 29 -7.368 -9.581 8.834 221 1HB GLU 29 1HB GLU 29 -9.427 -8.242 8.750 222 2HB GLU 29 2HB GLU 29 -9.790 -8.896 7.160 223 1HG GLU 29 1HG GLU 29 -9.440 -10.709 9.511 224 2HG GLU 29 2HG GLU 29 -10.967 -9.879 9.229 225 H SER 30 H SER 30 -7.991 -9.427 5.368 226 HA SER 30 HA SER 30 -8.372 -12.166 4.900 227 1HB SER 30 1HB SER 30 -7.314 -10.003 3.070 228 2HB SER 30 2HB SER 30 -7.789 -11.617 2.536 229 HG SER 30 HG SER 30 -9.360 -9.644 2.608 230 H LEU 31 H LEU 31 -5.536 -10.396 5.638 231 HA LEU 31 HA LEU 31 -3.614 -12.036 4.361 232 1HB LEU 31 1HB LEU 31 -3.303 -10.383 6.867 233 2HB LEU 31 2HB LEU 31 -2.000 -11.002 5.871 234 HG LEU 31 HG LEU 31 -4.042 -8.960 4.987 235 1HD1 LEU 31 1HD1 LEU 31 -1.147 -8.658 5.768 236 2HD1 LEU 31 2HD1 LEU 31 -2.544 -8.033 6.644 237 3HD1 LEU 31 3HD1 LEU 31 -2.146 -7.395 5.049 238 1HD2 LEU 31 1HD2 LEU 31 -3.277 -10.286 3.120 239 2HD2 LEU 31 2HD2 LEU 31 -1.599 -10.073 3.615 240 3HD2 LEU 31 3HD2 LEU 31 -2.533 -8.688 3.050 241 H SER 32 H SER 32 -5.720 -12.688 6.866 242 HA SER 32 HA SER 32 -3.962 -14.755 8.003 243 1HB SER 32 1HB SER 32 -4.819 -13.144 9.647 244 2HB SER 32 2HB SER 32 -6.472 -13.517 9.162 245 HG SER 32 HG SER 32 -5.217 -15.793 9.755 246 H ASN 33 H ASN 33 -5.729 -14.737 5.503 247 HA ASN 33 HA ASN 33 -7.720 -16.753 6.120 248 1HB ASN 33 1HB ASN 33 -6.905 -15.351 3.579 249 2HB ASN 33 2HB ASN 33 -8.047 -16.691 3.580 250 1HD2 ASN 33 1HD2 ASN 33 -9.160 -15.924 6.176 251 2HD2 ASN 33 2HD2 ASN 33 -10.159 -14.549 5.874 252 H GLU 34 H GLU 34 -7.563 -18.894 5.760 253 HA GLU 34 HA GLU 34 -5.085 -20.142 5.541 254 1HB GLU 34 1HB GLU 34 -7.154 -21.143 6.507 255 2HB GLU 34 2HB GLU 34 -7.789 -21.319 4.876 256 1HG GLU 34 1HG GLU 34 -5.939 -22.795 4.311 257 2HG GLU 34 2HG GLU 34 -5.299 -22.616 5.943 258 H ASP 35 H ASP 35 -7.273 -18.995 3.119 259 HA ASP 35 HA ASP 35 -6.081 -20.527 0.975 260 1HB ASP 35 1HB ASP 35 -8.085 -18.260 0.926 261 2HB ASP 35 2HB ASP 35 -7.593 -19.201 -0.479 262 H TRP 36 H TRP 36 -4.967 -19.586 -0.822 263 HA TRP 36 HA TRP 36 -3.397 -17.229 -0.041 264 1HB TRP 36 1HB TRP 36 -1.720 -18.029 -1.658 265 2HB TRP 36 2HB TRP 36 -2.078 -19.243 -0.434 266 HD1 TRP 36 HD1 TRP 36 -3.508 -21.404 -1.241 267 HE1 TRP 36 HE1 TRP 36 -3.752 -22.480 -3.567 268 HE3 TRP 36 HE3 TRP 36 -1.822 -17.527 -4.123 269 HZ2 TRP 36 HZ2 TRP 36 -3.294 -21.786 -6.256 270 HZ3 TRP 36 HZ3 TRP 36 -1.758 -17.818 -6.566 271 HH2 TRP 36 HH2 TRP 36 -2.480 -19.907 -7.605 272 H ARG 37 H ARG 37 -5.587 -18.458 -2.429 273 HA ARG 37 HA ARG 37 -5.026 -16.674 -4.532 274 1HB ARG 37 1HB ARG 37 -7.295 -17.217 -5.339 275 2HB ARG 37 2HB ARG 37 -6.381 -18.652 -4.893 276 1HG ARG 37 1HG ARG 37 -7.576 -18.701 -2.735 277 2HG ARG 37 2HG ARG 37 -8.539 -17.321 -3.268 278 1HD ARG 37 1HD ARG 37 -8.444 -20.069 -4.503 279 2HD ARG 37 2HD ARG 37 -9.796 -19.332 -3.645 280 HE ARG 37 HE ARG 37 -9.086 -17.721 -5.841 281 1HH1 ARG 37 1HH1 ARG 37 -10.578 -20.784 -5.106 282 2HH1 ARG 37 2HH1 ARG 37 -11.549 -20.800 -6.541 283 1HH2 ARG 37 1HH2 ARG 37 -10.360 -17.736 -7.732 284 2HH2 ARG 37 2HH2 ARG 37 -11.425 -19.069 -8.032 285 H ILE 38 H ILE 38 -7.055 -16.392 -1.673 286 HA ILE 38 HA ILE 38 -8.162 -13.851 -2.476 287 HB ILE 38 HB ILE 38 -8.240 -15.155 0.249 288 1HG1 ILE 38 1HG1 ILE 38 -10.316 -15.264 -1.951 289 2HG1 ILE 38 2HG1 ILE 38 -9.198 -16.574 -1.579 290 1HG2 ILE 38 1HG2 ILE 38 -10.191 -13.721 0.610 291 2HG2 ILE 38 2HG2 ILE 38 -9.955 -13.001 -0.982 292 3HG2 ILE 38 3HG2 ILE 38 -8.742 -12.773 0.279 293 1HD1 ILE 38 1HD1 ILE 38 -11.309 -15.454 0.249 294 2HD1 ILE 38 2HD1 ILE 38 -10.160 -16.722 0.675 295 3HD1 ILE 38 3HD1 ILE 38 -11.353 -17.003 -0.592 296 H ARG 39 H ARG 39 -5.614 -15.020 -0.350 297 HA ARG 39 HA ARG 39 -5.047 -12.585 0.949 298 1HB ARG 39 1HB ARG 39 -4.255 -14.820 1.706 299 2HB ARG 39 2HB ARG 39 -3.139 -14.852 0.347 300 1HG ARG 39 1HG ARG 39 -2.111 -12.758 1.254 301 2HG ARG 39 2HG ARG 39 -3.121 -12.964 2.688 302 1HD ARG 39 1HD ARG 39 -1.108 -14.958 1.653 303 2HD ARG 39 2HD ARG 39 -0.859 -13.864 3.012 304 HE ARG 39 HE ARG 39 -3.178 -15.471 3.378 305 1HH1 ARG 39 1HH1 ARG 39 0.303 -15.519 3.552 306 2HH1 ARG 39 2HH1 ARG 39 0.355 -16.787 4.731 307 1HH2 ARG 39 1HH2 ARG 39 -3.117 -17.141 4.930 308 2HH2 ARG 39 2HH2 ARG 39 -1.589 -17.709 5.514 309 H GLY 40 H GLY 40 -4.083 -13.904 -2.143 310 1HA GLY 40 1HA GLY 40 -1.882 -12.301 -2.731 311 2HA GLY 40 2HA GLY 40 -2.987 -12.964 -3.925 312 H ALA 41 H ALA 41 -5.263 -11.713 -3.700 313 HA ALA 41 HA ALA 41 -4.937 -9.228 -4.845 314 1HB ALA 41 1HB ALA 41 -7.014 -10.444 -5.020 315 2HB ALA 41 2HB ALA 41 -7.327 -8.852 -4.328 316 3HB ALA 41 3HB ALA 41 -7.296 -10.276 -3.288 317 H ALA 42 H ALA 42 -5.347 -10.056 -1.434 318 HA ALA 42 HA ALA 42 -5.721 -7.504 -0.381 319 1HB ALA 42 1HB ALA 42 -5.975 -9.548 0.940 320 2HB ALA 42 2HB ALA 42 -4.876 -8.413 1.724 321 3HB ALA 42 3HB ALA 42 -4.233 -9.815 0.868 322 H ALA 43 H ALA 43 -2.697 -9.298 -0.880 323 HA ALA 43 HA ALA 43 -0.954 -7.241 -0.036 324 1HB ALA 43 1HB ALA 43 -0.205 -9.523 -0.145 325 2HB ALA 43 2HB ALA 43 0.772 -8.552 -1.245 326 3HB ALA 43 3HB ALA 43 -0.507 -9.585 -1.882 327 H TRP 44 H TRP 44 -2.406 -8.060 -3.118 328 HA TRP 44 HA TRP 44 -0.832 -6.397 -4.761 329 1HB TRP 44 1HB TRP 44 -3.358 -7.915 -5.024 330 2HB TRP 44 2HB TRP 44 -3.133 -6.592 -6.160 331 HD1 TRP 44 HD1 TRP 44 -0.807 -9.420 -4.855 332 HE1 TRP 44 HE1 TRP 44 0.398 -10.449 -6.880 333 HE3 TRP 44 HE3 TRP 44 -2.877 -6.575 -8.566 334 HZ2 TRP 44 HZ2 TRP 44 0.468 -10.106 -9.676 335 HZ3 TRP 44 HZ3 TRP 44 -2.188 -6.991 -10.890 336 HH2 TRP 44 HH2 TRP 44 -0.553 -8.722 -11.434 337 H ILE 45 H ILE 45 -3.694 -5.783 -2.827 338 HA ILE 45 HA ILE 45 -3.946 -3.094 -3.967 339 HB ILE 45 HB ILE 45 -5.777 -4.473 -2.007 340 1HG1 ILE 45 1HG1 ILE 45 -5.704 -5.677 -4.146 341 2HG1 ILE 45 2HG1 ILE 45 -7.253 -4.873 -3.928 342 1HG2 ILE 45 1HG2 ILE 45 -6.129 -1.979 -3.662 343 2HG2 ILE 45 2HG2 ILE 45 -5.957 -2.064 -1.910 344 3HG2 ILE 45 3HG2 ILE 45 -7.388 -2.738 -2.690 345 1HD1 ILE 45 1HD1 ILE 45 -6.445 -4.670 -6.213 346 2HD1 ILE 45 2HD1 ILE 45 -4.981 -3.876 -5.632 347 3HD1 ILE 45 3HD1 ILE 45 -6.549 -3.093 -5.431 348 H ILE 46 H ILE 46 -2.843 -4.698 -1.105 349 HA ILE 46 HA ILE 46 -3.239 -2.765 0.842 350 HB ILE 46 HB ILE 46 -2.005 -5.197 0.800 351 1HG1 ILE 46 1HG1 ILE 46 -3.027 -4.619 2.796 352 2HG1 ILE 46 2HG1 ILE 46 -1.327 -4.563 3.247 353 1HG2 ILE 46 1HG2 ILE 46 0.089 -4.219 -0.030 354 2HG2 ILE 46 2HG2 ILE 46 0.275 -4.975 1.552 355 3HG2 ILE 46 3HG2 ILE 46 0.179 -3.219 1.421 356 1HD1 ILE 46 1HD1 ILE 46 -3.116 -2.227 2.627 357 2HD1 ILE 46 2HD1 ILE 46 -1.383 -2.111 2.913 358 3HD1 ILE 46 3HD1 ILE 46 -2.449 -2.683 4.194 359 H GLY 47 H GLY 47 -0.701 -2.947 -1.609 360 1HA GLY 47 1HA GLY 47 0.941 -0.909 -0.525 361 2HA GLY 47 2HA GLY 47 0.982 -1.492 -2.178 362 H ASN 48 H ASN 48 -2.008 -0.728 -2.288 363 HA ASN 48 HA ASN 48 -1.570 1.807 -3.495 364 1HB ASN 48 1HB ASN 48 -4.092 0.263 -2.884 365 2HB ASN 48 2HB ASN 48 -4.094 1.813 -3.722 366 1HD2 ASN 48 1HD2 ASN 48 -3.213 -1.543 -3.901 367 2HD2 ASN 48 2HD2 ASN 48 -2.940 -1.588 -5.606 368 H PHE 49 H PHE 49 -1.743 1.099 -0.278 369 HA PHE 49 HA PHE 49 -3.226 3.535 0.409 370 1HB PHE 49 1HB PHE 49 -2.374 1.167 2.070 371 2HB PHE 49 2HB PHE 49 -3.079 2.625 2.763 372 HD1 PHE 49 HD1 PHE 49 -3.707 -0.367 0.767 373 HD2 PHE 49 HD2 PHE 49 -5.411 3.171 2.408 374 HE1 PHE 49 HE1 PHE 49 -5.961 -1.250 0.328 375 HE2 PHE 49 HE2 PHE 49 -7.667 2.292 1.974 376 HZ PHE 49 HZ PHE 49 -7.944 0.078 0.933 377 H GLN 50 H GLN 50 -0.025 2.188 0.438 378 HA GLN 50 HA GLN 50 2.014 3.080 0.915 379 1HB GLN 50 1HB GLN 50 0.540 5.717 0.960 380 2HB GLN 50 2HB GLN 50 2.278 5.502 0.804 381 1HG GLN 50 1HG GLN 50 2.061 4.556 -1.352 382 2HG GLN 50 2HG GLN 50 0.317 4.393 -1.175 383 1HE2 GLN 50 1HE2 GLN 50 2.101 7.217 -0.161 384 2HE2 GLN 50 2HE2 GLN 50 1.469 8.287 -1.360 385 H ASP 51 H ASP 51 -0.076 2.501 3.101 386 HA ASP 51 HA ASP 51 0.945 4.191 5.255 387 1HB ASP 51 1HB ASP 51 -1.505 3.671 5.062 388 2HB ASP 51 2HB ASP 51 -1.123 1.990 5.415 389 H GLU 52 H GLU 52 1.485 3.034 7.361 390 HA GLU 52 HA GLU 52 3.685 1.332 6.951 391 1HB GLU 52 1HB GLU 52 3.621 1.024 9.436 392 2HB GLU 52 2HB GLU 52 3.630 2.701 8.911 393 1HG GLU 52 1HG GLU 52 1.234 2.851 9.294 394 2HG GLU 52 2HG GLU 52 1.198 1.158 9.785 395 H ARG 53 H ARG 53 0.318 0.692 7.610 396 HA ARG 53 HA ARG 53 0.599 -2.058 8.271 397 1HB ARG 53 1HB ARG 53 -1.403 -0.705 8.842 398 2HB ARG 53 2HB ARG 53 -1.800 -0.608 7.134 399 1HG ARG 53 1HG ARG 53 -2.405 -2.840 7.011 400 2HG ARG 53 2HG ARG 53 -1.516 -3.265 8.474 401 1HD ARG 53 1HD ARG 53 -3.975 -1.527 8.389 402 2HD ARG 53 2HD ARG 53 -3.962 -3.239 8.804 403 HE ARG 53 HE ARG 53 -2.157 -2.058 10.506 404 1HH1 ARG 53 1HH1 ARG 53 -5.548 -1.693 9.793 405 2HH1 ARG 53 2HH1 ARG 53 -5.957 -1.162 11.391 406 1HH2 ARG 53 1HH2 ARG 53 -2.686 -1.366 12.611 407 2HH2 ARG 53 2HH2 ARG 53 -4.330 -0.977 12.992 408 H ALA 54 H ALA 54 1.096 -0.390 5.442 409 HA ALA 54 HA ALA 54 0.351 -2.626 3.693 410 1HB ALA 54 1HB ALA 54 0.646 -1.088 1.853 411 2HB ALA 54 2HB ALA 54 1.293 0.141 2.939 412 3HB ALA 54 3HB ALA 54 -0.397 -0.347 3.066 413 H VAL 55 H VAL 55 2.904 -1.449 5.431 414 HA VAL 55 HA VAL 55 4.984 -2.182 3.540 415 HB VAL 55 HB VAL 55 5.297 -1.254 6.394 416 1HG1 VAL 55 1HG1 VAL 55 7.179 -1.385 4.053 417 2HG1 VAL 55 2HG1 VAL 55 7.287 -2.275 5.571 418 3HG1 VAL 55 3HG1 VAL 55 7.527 -0.528 5.554 419 1HG2 VAL 55 1HG2 VAL 55 5.668 0.988 5.462 420 2HG2 VAL 55 2HG2 VAL 55 4.032 0.407 5.155 421 3HG2 VAL 55 3HG2 VAL 55 5.232 0.385 3.863 422 H GLU 56 H GLU 56 3.613 -3.305 6.602 423 HA GLU 56 HA GLU 56 5.540 -5.263 7.168 424 1HB GLU 56 1HB GLU 56 3.960 -4.540 8.858 425 2HB GLU 56 2HB GLU 56 2.620 -5.201 7.930 426 1HG GLU 56 1HG GLU 56 3.214 -7.393 8.386 427 2HG GLU 56 2HG GLU 56 4.871 -6.959 8.811 428 HA PRO 57 HA PRO 57 2.349 -8.369 4.914 429 1HB PRO 57 1HB PRO 57 1.756 -6.396 2.750 430 2HB PRO 57 2HB PRO 57 0.752 -7.705 3.385 431 1HG PRO 57 1HG PRO 57 0.273 -5.188 4.083 432 2HG PRO 57 2HG PRO 57 0.139 -6.498 5.270 433 1HD PRO 57 1HD PRO 57 2.267 -4.439 4.952 434 2HD PRO 57 2HD PRO 57 1.652 -5.212 6.426 435 H LEU 58 H LEU 58 4.036 -5.854 3.055 436 HA LEU 58 HA LEU 58 5.032 -7.479 1.030 437 1HB LEU 58 1HB LEU 58 6.650 -5.190 2.057 438 2HB LEU 58 2HB LEU 58 6.364 -5.693 0.403 439 HG LEU 58 HG LEU 58 4.399 -4.278 2.203 440 1HD1 LEU 58 1HD1 LEU 58 6.139 -2.814 1.384 441 2HD1 LEU 58 2HD1 LEU 58 4.618 -2.465 0.563 442 3HD1 LEU 58 3HD1 LEU 58 5.876 -3.384 -0.265 443 1HD2 LEU 58 1HD2 LEU 58 4.047 -5.039 -0.686 444 2HD2 LEU 58 2HD2 LEU 58 2.865 -4.278 0.376 445 3HD2 LEU 58 3HD2 LEU 58 3.358 -5.947 0.660 446 H ILE 59 H ILE 59 6.215 -6.967 4.288 447 HA ILE 59 HA ILE 59 8.837 -7.855 3.993 448 HB ILE 59 HB ILE 59 7.033 -8.235 6.380 449 1HG1 ILE 59 1HG1 ILE 59 7.213 -5.889 5.710 450 2HG1 ILE 59 2HG1 ILE 59 8.085 -6.169 7.214 451 1HG2 ILE 59 1HG2 ILE 59 10.031 -8.378 6.115 452 2HG2 ILE 59 2HG2 ILE 59 8.935 -9.680 6.579 453 3HG2 ILE 59 3HG2 ILE 59 9.170 -8.300 7.652 454 1HD1 ILE 59 1HD1 ILE 59 9.302 -5.912 4.473 455 2HD1 ILE 59 2HD1 ILE 59 10.191 -6.234 5.961 456 3HD1 ILE 59 3HD1 ILE 59 9.338 -4.703 5.757 457 H LYS 60 H LYS 60 6.092 -9.806 5.189 458 HA LYS 60 HA LYS 60 7.537 -12.254 4.956 459 1HB LYS 60 1HB LYS 60 5.775 -11.924 6.627 460 2HB LYS 60 2HB LYS 60 4.580 -11.774 5.345 461 1HG LYS 60 1HG LYS 60 6.099 -14.231 5.126 462 2HG LYS 60 2HG LYS 60 5.290 -14.083 6.686 463 1HD LYS 60 1HD LYS 60 3.803 -13.504 4.155 464 2HD LYS 60 2HD LYS 60 4.034 -15.170 4.689 465 1HE LYS 60 1HE LYS 60 1.908 -14.345 5.487 466 2HE LYS 60 2HE LYS 60 2.999 -14.592 6.850 467 1HZ LYS 60 1HZ LYS 60 1.720 -12.492 6.944 468 2HZ LYS 60 2HZ LYS 60 2.533 -11.961 5.559 469 3HZ LYS 60 3HZ LYS 60 3.396 -12.260 6.983 470 H LEU 61 H LEU 61 5.975 -10.354 2.662 471 HA LEU 61 HA LEU 61 5.034 -12.526 0.999 472 1HB LEU 61 1HB LEU 61 4.928 -9.572 0.934 473 2HB LEU 61 2HB LEU 61 4.823 -10.404 -0.603 474 HG LEU 61 HG LEU 61 2.770 -11.345 -0.116 475 1HD1 LEU 61 1HD1 LEU 61 1.823 -11.514 2.166 476 2HD1 LEU 61 2HD1 LEU 61 3.345 -10.901 2.811 477 3HD1 LEU 61 3HD1 LEU 61 3.307 -12.443 1.960 478 1HD2 LEU 61 1HD2 LEU 61 2.937 -8.688 1.278 479 2HD2 LEU 61 2HD2 LEU 61 1.414 -9.535 1.011 480 3HD2 LEU 61 3HD2 LEU 61 2.395 -9.030 -0.364 481 H LEU 62 H LEU 62 7.587 -10.047 0.719 482 HA LEU 62 HA LEU 62 8.544 -10.833 -1.789 483 1HB LEU 62 1HB LEU 62 10.125 -9.624 0.481 484 2HB LEU 62 2HB LEU 62 10.553 -9.590 -1.220 485 HG LEU 62 HG LEU 62 7.969 -8.369 -0.341 486 1HD1 LEU 62 1HD1 LEU 62 9.549 -7.419 1.202 487 2HD1 LEU 62 2HD1 LEU 62 9.152 -6.220 -0.030 488 3HD1 LEU 62 3HD1 LEU 62 10.685 -7.090 -0.106 489 1HD2 LEU 62 1HD2 LEU 62 8.457 -6.877 -2.239 490 2HD2 LEU 62 2HD2 LEU 62 8.386 -8.573 -2.713 491 3HD2 LEU 62 3HD2 LEU 62 9.947 -7.772 -2.536 492 H GLU 63 H GLU 63 8.567 -12.456 1.116 493 HA GLU 63 HA GLU 63 10.841 -14.136 0.309 494 1HB GLU 63 1HB GLU 63 10.894 -14.791 2.733 495 2HB GLU 63 2HB GLU 63 11.316 -13.120 2.403 496 1HG GLU 63 1HG GLU 63 9.137 -12.387 3.106 497 2HG GLU 63 2HG GLU 63 8.611 -14.056 3.324 498 H ASP 64 H ASP 64 7.471 -14.007 0.816 499 HA ASP 64 HA ASP 64 6.907 -16.649 1.543 500 1HB ASP 64 1HB ASP 64 5.363 -14.518 1.307 501 2HB ASP 64 2HB ASP 64 5.067 -15.189 -0.293 502 H ASP 65 H ASP 65 7.637 -15.197 -1.494 503 HA ASP 65 HA ASP 65 7.899 -16.005 -3.613 504 1HB ASP 65 1HB ASP 65 8.842 -18.341 -1.954 505 2HB ASP 65 2HB ASP 65 9.018 -18.276 -3.705 506 H SER 66 H SER 66 5.235 -16.372 -2.422 507 HA SER 66 HA SER 66 4.326 -18.929 -3.448 508 1HB SER 66 1HB SER 66 3.326 -18.082 -1.391 509 2HB SER 66 2HB SER 66 2.786 -16.629 -2.229 510 HG SER 66 HG SER 66 1.909 -19.292 -2.607 511 H GLY 67 H GLY 67 5.174 -16.173 -4.922 512 1HA GLY 67 1HA GLY 67 4.884 -15.641 -7.170 513 2HA GLY 67 2HA GLY 67 3.535 -16.765 -7.242 514 H PHE 68 H PHE 68 1.456 -16.055 -6.629 515 HA PHE 68 HA PHE 68 0.801 -13.430 -7.337 516 1HB PHE 68 1HB PHE 68 -0.745 -15.399 -7.360 517 2HB PHE 68 2HB PHE 68 -0.821 -15.313 -5.608 518 HD1 PHE 68 HD1 PHE 68 -0.707 -12.060 -7.195 519 HD2 PHE 68 HD2 PHE 68 -3.286 -15.267 -6.062 520 HE1 PHE 68 HE1 PHE 68 -2.653 -10.571 -7.367 521 HE2 PHE 68 HE2 PHE 68 -5.225 -13.768 -6.231 522 HZ PHE 68 HZ PHE 68 -4.910 -11.418 -6.886 523 H VAL 69 H VAL 69 1.374 -14.916 -4.193 524 HA VAL 69 HA VAL 69 0.627 -12.615 -2.675 525 HB VAL 69 HB VAL 69 2.412 -14.860 -1.744 526 1HG1 VAL 69 1HG1 VAL 69 1.366 -14.335 0.448 527 2HG1 VAL 69 2HG1 VAL 69 0.578 -12.950 -0.308 528 3HG1 VAL 69 3HG1 VAL 69 2.337 -13.021 -0.212 529 1HG2 VAL 69 1HG2 VAL 69 -0.603 -14.768 -1.777 530 2HG2 VAL 69 2HG2 VAL 69 0.380 -16.011 -1.003 531 3HG2 VAL 69 3HG2 VAL 69 0.416 -15.824 -2.756 532 H ARG 70 H ARG 70 3.775 -14.048 -3.573 533 HA ARG 70 HA ARG 70 5.368 -12.100 -2.317 534 1HB ARG 70 1HB ARG 70 6.228 -14.285 -3.088 535 2HB ARG 70 2HB ARG 70 6.041 -13.757 -4.755 536 1HG ARG 70 1HG ARG 70 7.599 -11.823 -4.110 537 2HG ARG 70 2HG ARG 70 7.981 -12.791 -2.684 538 1HD ARG 70 1HD ARG 70 9.577 -13.131 -4.538 539 2HD ARG 70 2HD ARG 70 8.743 -14.611 -4.070 540 HE ARG 70 HE ARG 70 7.352 -13.359 -6.178 541 1HH1 ARG 70 1HH1 ARG 70 10.289 -15.124 -5.542 542 2HH1 ARG 70 2HH1 ARG 70 10.400 -15.768 -7.145 543 1HH2 ARG 70 1HH2 ARG 70 7.491 -14.203 -8.289 544 2HH2 ARG 70 2HH2 ARG 70 8.811 -15.244 -8.708 545 H SER 71 H SER 71 4.601 -12.441 -5.782 546 HA SER 71 HA SER 71 5.719 -10.092 -6.693 547 1HB SER 71 1HB SER 71 4.889 -11.746 -8.240 548 2HB SER 71 2HB SER 71 3.235 -11.509 -7.675 549 HG SER 71 HG SER 71 4.512 -9.225 -8.544 550 H GLY 72 H GLY 72 2.798 -10.568 -4.885 551 1HA GLY 72 1HA GLY 72 1.464 -8.170 -5.458 552 2HA GLY 72 2HA GLY 72 1.317 -9.076 -3.958 553 H ALA 73 H ALA 73 3.989 -8.923 -3.125 554 HA ALA 73 HA ALA 73 3.992 -6.360 -1.898 555 1HB ALA 73 1HB ALA 73 4.856 -8.280 -0.713 556 2HB ALA 73 2HB ALA 73 6.139 -7.089 -0.916 557 3HB ALA 73 3HB ALA 73 6.094 -8.520 -1.946 558 H ALA 74 H ALA 74 6.089 -7.924 -4.299 559 HA ALA 74 HA ALA 74 7.863 -5.819 -4.710 560 1HB ALA 74 1HB ALA 74 8.338 -6.883 -6.873 561 2HB ALA 74 2HB ALA 74 6.911 -7.901 -6.676 562 3HB ALA 74 3HB ALA 74 8.268 -8.059 -5.561 563 H ARG 75 H ARG 75 4.612 -6.307 -5.726 564 HA ARG 75 HA ARG 75 4.661 -4.275 -7.775 565 1HB ARG 75 1HB ARG 75 3.211 -6.370 -7.790 566 2HB ARG 75 2HB ARG 75 2.234 -5.588 -6.557 567 1HG ARG 75 1HG ARG 75 1.778 -3.743 -8.109 568 2HG ARG 75 2HG ARG 75 2.719 -4.575 -9.349 569 1HD ARG 75 1HD ARG 75 1.149 -6.531 -9.067 570 2HD ARG 75 2HD ARG 75 0.153 -5.480 -8.059 571 HE ARG 75 HE ARG 75 -0.388 -4.200 -9.953 572 1HH1 ARG 75 1HH1 ARG 75 1.699 -6.884 -10.716 573 2HH1 ARG 75 2HH1 ARG 75 1.368 -6.825 -12.415 574 1HH2 ARG 75 1HH2 ARG 75 -0.828 -4.115 -12.191 575 2HH2 ARG 75 2HH2 ARG 75 -0.066 -5.251 -13.254 576 H SER 76 H SER 76 3.747 -4.607 -4.425 577 HA SER 76 HA SER 76 2.234 -2.231 -4.182 578 1HB SER 76 1HB SER 76 3.730 -3.840 -2.108 579 2HB SER 76 2HB SER 76 2.610 -2.530 -1.737 580 HG SER 76 HG SER 76 1.505 -4.474 -1.638 581 H LEU 77 H LEU 77 5.663 -2.934 -3.546 582 HA LEU 77 HA LEU 77 6.396 -0.488 -2.453 583 1HB LEU 77 1HB LEU 77 7.905 -2.514 -4.068 584 2HB LEU 77 2HB LEU 77 8.677 -1.020 -3.576 585 HG LEU 77 HG LEU 77 7.667 -1.887 -1.200 586 1HD1 LEU 77 1HD1 LEU 77 8.370 -4.308 -2.837 587 2HD1 LEU 77 2HD1 LEU 77 6.865 -3.978 -1.978 588 3HD1 LEU 77 3HD1 LEU 77 8.345 -4.295 -1.075 589 1HD2 LEU 77 1HD2 LEU 77 9.942 -2.521 -0.663 590 2HD2 LEU 77 2HD2 LEU 77 9.938 -1.070 -1.664 591 3HD2 LEU 77 3HD2 LEU 77 10.339 -2.631 -2.378 592 H GLU 78 H GLU 78 6.829 -1.447 -5.862 593 HA GLU 78 HA GLU 78 7.673 0.941 -6.897 594 1HB GLU 78 1HB GLU 78 5.788 -1.002 -8.237 595 2HB GLU 78 2HB GLU 78 6.777 0.201 -9.054 596 1HG GLU 78 1HG GLU 78 8.796 -0.927 -8.177 597 2HG GLU 78 2HG GLU 78 7.758 -2.177 -7.492 598 H GLN 79 H GLN 79 4.362 0.011 -6.121 599 HA GLN 79 HA GLN 79 3.084 2.185 -7.400 600 1HB GLN 79 1HB GLN 79 2.240 0.409 -5.115 601 2HB GLN 79 2HB GLN 79 1.198 1.656 -5.784 602 1HG GLN 79 1HG GLN 79 1.124 0.572 -7.898 603 2HG GLN 79 2HG GLN 79 2.382 -0.563 -7.422 604 1HE2 GLN 79 1HE2 GLN 79 1.272 -0.921 -4.751 605 2HE2 GLN 79 2HE2 GLN 79 -0.116 -1.927 -4.942 606 H ILE 80 H ILE 80 3.775 1.665 -3.941 607 HA ILE 80 HA ILE 80 2.972 4.138 -2.999 608 HB ILE 80 HB ILE 80 5.211 2.394 -1.964 609 1HG1 ILE 80 1HG1 ILE 80 2.328 2.622 -1.072 610 2HG1 ILE 80 2HG1 ILE 80 2.949 1.342 -2.108 611 1HG2 ILE 80 1HG2 ILE 80 5.433 4.650 -1.098 612 2HG2 ILE 80 2HG2 ILE 80 4.877 3.562 0.173 613 3HG2 ILE 80 3HG2 ILE 80 3.738 4.654 -0.614 614 1HD1 ILE 80 1HD1 ILE 80 2.693 0.729 0.292 615 2HD1 ILE 80 2HD1 ILE 80 3.973 1.884 0.665 616 3HD1 ILE 80 3HD1 ILE 80 4.314 0.490 -0.360 617 H GLY 81 H GLY 81 6.350 3.185 -3.691 618 1HA GLY 81 1HA GLY 81 8.171 4.436 -4.322 619 2HA GLY 81 2HA GLY 81 7.022 5.509 -5.105 620 H GLY 82 H GLY 82 8.839 4.877 -2.182 621 1HA GLY 82 1HA GLY 82 9.266 7.562 -1.577 622 2HA GLY 82 2HA GLY 82 7.861 7.050 -0.655 623 H GLU 83 H GLU 83 9.920 7.899 0.785 624 HA GLU 83 HA GLU 83 11.871 5.965 1.441 625 1HB GLU 83 1HB GLU 83 10.826 8.413 2.825 626 2HB GLU 83 2HB GLU 83 11.979 7.355 3.626 627 1HG GLU 83 1HG GLU 83 13.556 7.682 1.798 628 2HG GLU 83 2HG GLU 83 12.401 8.740 0.988 629 H ARG 84 H ARG 84 8.562 6.292 2.301 630 HA ARG 84 HA ARG 84 8.572 4.947 4.774 631 1HB ARG 84 1HB ARG 84 6.123 4.372 3.992 632 2HB ARG 84 2HB ARG 84 6.562 6.018 4.422 633 1HG ARG 84 1HG ARG 84 6.867 5.234 1.582 634 2HG ARG 84 2HG ARG 84 5.227 5.421 2.203 635 1HD ARG 84 1HD ARG 84 7.393 7.502 2.474 636 2HD ARG 84 2HD ARG 84 6.207 7.480 1.171 637 HE ARG 84 HE ARG 84 5.206 7.508 3.912 638 1HH1 ARG 84 1HH1 ARG 84 5.841 9.235 0.954 639 2HH1 ARG 84 2HH1 ARG 84 4.780 10.549 1.342 640 1HH2 ARG 84 1HH2 ARG 84 3.807 9.235 4.432 641 2HH2 ARG 84 2HH2 ARG 84 3.625 10.550 3.318 642 H VAL 85 H VAL 85 7.557 3.703 1.603 643 HA VAL 85 HA VAL 85 7.648 0.985 2.422 644 HB VAL 85 HB VAL 85 6.305 2.061 0.507 645 1HG1 VAL 85 1HG1 VAL 85 7.282 2.088 -1.663 646 2HG1 VAL 85 2HG1 VAL 85 8.786 1.397 -1.052 647 3HG1 VAL 85 3HG1 VAL 85 8.316 3.034 -0.591 648 1HG2 VAL 85 1HG2 VAL 85 6.323 -0.072 -0.765 649 2HG2 VAL 85 2HG2 VAL 85 6.179 -0.283 0.978 650 3HG2 VAL 85 3HG2 VAL 85 7.725 -0.572 0.181 651 H ARG 86 H ARG 86 9.951 3.225 1.280 652 HA ARG 86 HA ARG 86 11.821 1.721 -0.069 653 1HB ARG 86 1HB ARG 86 11.992 4.137 0.233 654 2HB ARG 86 2HB ARG 86 12.313 3.917 1.946 655 1HG ARG 86 1HG ARG 86 14.368 2.618 1.277 656 2HG ARG 86 2HG ARG 86 14.080 3.183 -0.371 657 1HD ARG 86 1HD ARG 86 14.204 5.500 0.400 658 2HD ARG 86 2HD ARG 86 14.477 4.941 2.049 659 HE ARG 86 HE ARG 86 16.420 3.848 0.309 660 1HH1 ARG 86 1HH1 ARG 86 15.509 6.832 1.866 661 2HH1 ARG 86 2HH1 ARG 86 17.124 7.457 1.899 662 1HH2 ARG 86 1HH2 ARG 86 18.549 4.666 0.352 663 2HH2 ARG 86 2HH2 ARG 86 18.850 6.227 1.039 664 H ALA 87 H ALA 87 11.501 2.116 3.441 665 HA ALA 87 HA ALA 87 13.732 0.686 4.251 666 1HB ALA 87 1HB ALA 87 12.660 0.475 6.391 667 2HB ALA 87 2HB ALA 87 11.076 0.768 5.672 668 3HB ALA 87 3HB ALA 87 12.277 2.061 5.719 669 H ALA 88 H ALA 88 10.765 -0.434 2.893 670 HA ALA 88 HA ALA 88 10.904 -3.115 3.856 671 1HB ALA 88 1HB ALA 88 9.462 -2.102 1.408 672 2HB ALA 88 2HB ALA 88 8.812 -2.054 3.047 673 3HB ALA 88 3HB ALA 88 9.153 -3.604 2.279 674 H MET 89 H MET 89 11.932 -1.475 0.878 675 HA MET 89 HA MET 89 12.901 -3.856 -0.351 676 1HB MET 89 1HB MET 89 13.428 -2.529 -2.135 677 2HB MET 89 2HB MET 89 12.268 -1.479 -1.353 678 1HG MET 89 1HG MET 89 13.982 -0.054 -1.864 679 2HG MET 89 2HG MET 89 14.319 -0.454 -0.184 680 1HE MET 89 1HE MET 89 16.513 0.908 -1.812 681 2HE MET 89 2HE MET 89 17.930 -0.111 -1.563 682 3HE MET 89 3HE MET 89 16.855 0.248 -0.213 683 H GLU 90 H GLU 90 14.203 -1.449 1.803 684 HA GLU 90 HA GLU 90 16.944 -2.093 1.501 685 1HB GLU 90 1HB GLU 90 15.471 -0.915 3.869 686 2HB GLU 90 2HB GLU 90 17.220 -0.964 3.697 687 1HG GLU 90 1HG GLU 90 17.031 0.434 1.676 688 2HG GLU 90 2HG GLU 90 15.290 0.530 1.937 689 H LYS 91 H LYS 91 14.361 -3.269 3.582 690 HA LYS 91 HA LYS 91 16.067 -5.049 5.057 691 1HB LYS 91 1HB LYS 91 13.072 -4.753 4.876 692 2HB LYS 91 2HB LYS 91 13.846 -5.980 5.869 693 1HG LYS 91 1HG LYS 91 14.313 -3.019 6.148 694 2HG LYS 91 2HG LYS 91 13.174 -3.953 7.119 695 1HD LYS 91 1HD LYS 91 16.135 -4.508 6.954 696 2HD LYS 91 2HD LYS 91 15.364 -3.569 8.235 697 1HE LYS 91 1HE LYS 91 14.033 -5.500 8.877 698 2HE LYS 91 2HE LYS 91 14.729 -6.441 7.558 699 1HZ LYS 91 1HZ LYS 91 15.821 -6.974 9.617 700 2HZ LYS 91 2HZ LYS 91 16.192 -5.348 9.900 701 3HZ LYS 91 3HZ LYS 91 16.914 -6.167 8.608 702 H LEU 92 H LEU 92 14.326 -5.215 2.070 703 HA LEU 92 HA LEU 92 14.310 -8.106 2.022 704 1HB LEU 92 1HB LEU 92 12.463 -7.435 0.888 705 2HB LEU 92 2HB LEU 92 13.176 -5.905 0.417 706 HG LEU 92 HG LEU 92 14.518 -7.179 -1.289 707 1HD1 LEU 92 1HD1 LEU 92 12.556 -9.363 -0.581 708 2HD1 LEU 92 2HD1 LEU 92 14.301 -9.409 -0.331 709 3HD1 LEU 92 3HD1 LEU 92 13.646 -9.372 -1.967 710 1HD2 LEU 92 1HD2 LEU 92 12.282 -5.907 -1.597 711 2HD2 LEU 92 2HD2 LEU 92 11.587 -7.516 -1.792 712 3HD2 LEU 92 3HD2 LEU 92 12.854 -6.962 -2.887 713 H ALA 93 H ALA 93 16.239 -5.445 0.935 714 HA ALA 93 HA ALA 93 17.724 -6.767 -1.078 715 1HB ALA 93 1HB ALA 93 17.640 -4.313 -0.816 716 2HB ALA 93 2HB ALA 93 19.291 -4.932 -0.885 717 3HB ALA 93 3HB ALA 93 18.590 -4.458 0.663 718 H GLU 94 H GLU 94 17.819 -6.820 2.375 719 HA GLU 94 HA GLU 94 20.498 -7.863 2.590 720 1HB GLU 94 1HB GLU 94 19.443 -6.500 4.385 721 2HB GLU 94 2HB GLU 94 18.290 -7.799 4.657 722 1HG GLU 94 1HG GLU 94 20.166 -9.297 5.229 723 2HG GLU 94 2HG GLU 94 21.270 -7.934 5.052 724 H THR 95 H THR 95 17.292 -9.104 2.215 725 HA THR 95 HA THR 95 18.308 -11.858 2.512 726 HB THR 95 HB THR 95 15.952 -12.535 2.931 727 HG1 THR 95 HG1 THR 95 14.448 -11.113 2.530 728 1HG2 THR 95 1HG2 THR 95 15.787 -11.651 5.218 729 2HG2 THR 95 2HG2 THR 95 17.000 -10.430 4.829 730 3HG2 THR 95 3HG2 THR 95 17.437 -12.138 4.830 731 H GLY 96 H GLY 96 18.206 -9.871 0.244 732 1HA GLY 96 1HA GLY 96 16.289 -10.462 -1.651 733 2HA GLY 96 2HA GLY 96 17.926 -9.943 -2.018 734 H THR 97 H THR 97 15.737 -12.226 -2.650 735 HA THR 97 HA THR 97 17.798 -14.109 -3.528 736 HB THR 97 HB THR 97 15.296 -15.022 -2.097 737 HG1 THR 97 HG1 THR 97 16.481 -15.135 -0.324 738 1HG2 THR 97 1HG2 THR 97 16.031 -16.603 -3.781 739 2HG2 THR 97 2HG2 THR 97 16.408 -17.236 -2.179 740 3HG2 THR 97 3HG2 THR 97 17.684 -16.529 -3.170 741 H GLY 98 H GLY 98 17.478 -14.772 -5.562 742 1HA GLY 98 1HA GLY 98 16.513 -15.029 -7.625 743 2HA GLY 98 2HA GLY 98 15.035 -15.404 -6.752 744 H PHE 99 H PHE 99 13.444 -14.274 -7.616 745 HA PHE 99 HA PHE 99 13.795 -11.789 -8.954 746 1HB PHE 99 1HB PHE 99 12.029 -13.184 -9.707 747 2HB PHE 99 2HB PHE 99 11.371 -13.360 -8.087 748 HD1 PHE 99 HD1 PHE 99 9.775 -11.853 -7.253 749 HD2 PHE 99 HD2 PHE 99 11.821 -10.980 -10.882 750 HE1 PHE 99 HE1 PHE 99 8.211 -10.004 -7.683 751 HE2 PHE 99 HE2 PHE 99 10.261 -9.127 -11.318 752 HZ PHE 99 HZ PHE 99 8.452 -8.637 -9.717 753 H ALA 100 H ALA 100 12.770 -12.708 -5.729 754 HA ALA 100 HA ALA 100 11.584 -10.392 -4.810 755 1HB ALA 100 1HB ALA 100 12.164 -11.117 -2.590 756 2HB ALA 100 2HB ALA 100 13.427 -12.171 -3.225 757 3HB ALA 100 3HB ALA 100 11.733 -12.519 -3.568 758 H ARG 101 H ARG 101 15.022 -11.080 -5.192 759 HA ARG 101 HA ARG 101 15.922 -8.786 -3.755 760 1HB ARG 101 1HB ARG 101 17.298 -10.812 -4.122 761 2HB ARG 101 2HB ARG 101 17.376 -10.411 -5.830 762 1HG ARG 101 1HG ARG 101 18.836 -8.687 -5.510 763 2HG ARG 101 2HG ARG 101 18.262 -8.363 -3.873 764 1HD ARG 101 1HD ARG 101 19.386 -10.320 -3.041 765 2HD ARG 101 2HD ARG 101 19.860 -10.790 -4.673 766 HE ARG 101 HE ARG 101 20.890 -8.256 -4.241 767 1HH1 ARG 101 1HH1 ARG 101 21.238 -11.441 -2.872 768 2HH1 ARG 101 2HH1 ARG 101 22.879 -11.192 -2.380 769 1HH2 ARG 101 1HH2 ARG 101 23.052 -7.918 -3.596 770 2HH2 ARG 101 2HH2 ARG 101 23.911 -9.190 -2.792 771 H LYS 102 H LYS 102 15.933 -9.529 -7.247 772 HA LYS 102 HA LYS 102 16.834 -7.139 -8.236 773 1HB LYS 102 1HB LYS 102 16.391 -9.139 -9.602 774 2HB LYS 102 2HB LYS 102 14.662 -8.885 -9.410 775 1HG LYS 102 1HG LYS 102 14.857 -6.747 -10.592 776 2HG LYS 102 2HG LYS 102 16.582 -7.044 -10.817 777 1HD LYS 102 1HD LYS 102 16.068 -9.075 -12.082 778 2HD LYS 102 2HD LYS 102 14.343 -8.781 -11.854 779 1HE LYS 102 1HE LYS 102 14.956 -8.018 -14.038 780 2HE LYS 102 2HE LYS 102 14.617 -6.611 -13.030 781 1HZ LYS 102 1HZ LYS 102 17.310 -7.666 -13.709 782 2HZ LYS 102 2HZ LYS 102 17.009 -6.345 -12.697 783 3HZ LYS 102 3HZ LYS 102 16.601 -6.263 -14.336 784 H VAL 103 H VAL 103 13.850 -7.800 -6.698 785 HA VAL 103 HA VAL 103 12.286 -5.687 -7.739 786 HB VAL 103 HB VAL 103 12.130 -7.335 -5.229 787 1HG1 VAL 103 1HG1 VAL 103 10.259 -5.137 -6.114 788 2HG1 VAL 103 2HG1 VAL 103 11.178 -5.217 -4.611 789 3HG1 VAL 103 3HG1 VAL 103 9.858 -6.351 -4.899 790 1HG2 VAL 103 1HG2 VAL 103 10.360 -7.205 -7.667 791 2HG2 VAL 103 2HG2 VAL 103 10.212 -8.332 -6.320 792 3HG2 VAL 103 3HG2 VAL 103 11.616 -8.408 -7.382 793 H ALA 104 H ALA 104 13.848 -5.997 -4.545 794 HA ALA 104 HA ALA 104 13.379 -3.428 -3.625 795 1HB ALA 104 1HB ALA 104 15.328 -3.824 -2.123 796 2HB ALA 104 2HB ALA 104 15.654 -5.305 -3.024 797 3HB ALA 104 3HB ALA 104 14.143 -5.127 -2.136 798 H VAL 105 H VAL 105 16.331 -4.633 -5.162 799 HA VAL 105 HA VAL 105 17.767 -2.251 -5.143 800 HB VAL 105 HB VAL 105 18.002 -4.503 -7.139 801 1HG1 VAL 105 1HG1 VAL 105 19.160 -2.534 -7.916 802 2HG1 VAL 105 2HG1 VAL 105 20.340 -3.718 -7.354 803 3HG1 VAL 105 3HG1 VAL 105 19.935 -2.328 -6.346 804 1HG2 VAL 105 1HG2 VAL 105 19.378 -4.072 -4.488 805 2HG2 VAL 105 2HG2 VAL 105 19.761 -5.347 -5.644 806 3HG2 VAL 105 3HG2 VAL 105 18.183 -5.315 -4.857 807 H ASN 106 H ASN 106 16.149 -3.718 -7.980 808 HA ASN 106 HA ASN 106 16.547 -1.584 -9.717 809 1HB ASN 106 1HB ASN 106 15.799 -3.832 -10.415 810 2HB ASN 106 2HB ASN 106 14.219 -3.512 -9.709 811 1HD2 ASN 106 1HD2 ASN 106 16.385 -2.832 -12.321 812 2HD2 ASN 106 2HD2 ASN 106 15.243 -2.016 -13.330 813 H TYR 107 H TYR 107 13.953 -2.106 -7.374 814 HA TYR 107 HA TYR 107 12.187 -0.148 -8.276 815 1HB TYR 107 1HB TYR 107 11.295 -1.630 -6.725 816 2HB TYR 107 2HB TYR 107 12.677 -1.490 -5.646 817 HD1 TYR 107 HD1 TYR 107 12.405 -0.338 -3.735 818 HD2 TYR 107 HD2 TYR 107 9.976 0.692 -7.053 819 HE1 TYR 107 HE1 TYR 107 11.250 1.338 -2.351 820 HE2 TYR 107 HE2 TYR 107 8.804 2.369 -5.693 821 HH TYR 107 HH TYR 107 9.956 3.417 -2.684 822 H LEU 108 H LEU 108 15.131 0.121 -6.415 823 HA LEU 108 HA LEU 108 14.826 2.552 -5.157 824 1HB LEU 108 1HB LEU 108 17.001 0.860 -5.898 825 2HB LEU 108 2HB LEU 108 17.444 2.519 -6.243 826 HG LEU 108 HG LEU 108 16.519 1.467 -3.570 827 1HD1 LEU 108 1HD1 LEU 108 18.723 0.665 -4.054 828 2HD1 LEU 108 2HD1 LEU 108 18.857 1.991 -2.898 829 3HD1 LEU 108 3HD1 LEU 108 19.236 2.262 -4.600 830 1HD2 LEU 108 1HD2 LEU 108 17.137 3.677 -2.725 831 2HD2 LEU 108 2HD2 LEU 108 15.845 3.784 -3.921 832 3HD2 LEU 108 3HD2 LEU 108 17.499 4.206 -4.368 833 H GLU 109 H GLU 109 15.269 1.936 -8.557 834 HA GLU 109 HA GLU 109 15.996 4.617 -9.253 835 1HB GLU 109 1HB GLU 109 15.029 2.290 -10.913 836 2HB GLU 109 2HB GLU 109 15.499 3.842 -11.593 837 1HG GLU 109 1HG GLU 109 17.288 2.049 -9.969 838 2HG GLU 109 2HG GLU 109 17.281 2.163 -11.727 839 H THR 110 H THR 110 13.248 3.659 -7.938 840 HA THR 110 HA THR 110 11.464 5.127 -9.742 841 HB THR 110 HB THR 110 10.683 3.538 -7.298 842 HG1 THR 110 HG1 THR 110 11.630 2.151 -8.837 843 1HG2 THR 110 1HG2 THR 110 8.464 3.560 -8.297 844 2HG2 THR 110 2HG2 THR 110 9.075 4.471 -9.678 845 3HG2 THR 110 3HG2 THR 110 9.046 5.210 -8.077 846 H HIS 111 H HIS 111 11.953 4.876 -6.209 847 HA HIS 111 HA HIS 111 10.881 7.552 -5.871 848 1HB HIS 111 1HB HIS 111 10.891 7.109 -3.515 849 2HB HIS 111 2HB HIS 111 10.308 5.656 -4.318 850 HD1 HIS 111 HD1 HIS 111 11.921 3.590 -4.336 851 HD2 HIS 111 HD2 HIS 111 13.246 6.821 -2.085 852 HE1 HIS 111 HE1 HIS 111 13.786 2.694 -2.906 853 HE2 HIS 111 HE2 HIS 111 14.570 4.665 -1.547 Start of MODEL 6 1 H MET 1 H MET 1 -9.429 14.527 7.164 2 HA MET 1 HA MET 1 -11.249 12.370 6.266 3 1HB MET 1 1HB MET 1 -12.365 14.372 7.224 4 2HB MET 1 2HB MET 1 -11.520 15.376 6.053 5 1HG MET 1 1HG MET 1 -12.636 14.123 4.237 6 2HG MET 1 2HG MET 1 -13.544 13.231 5.456 7 1HE MET 1 1HE MET 1 -12.508 17.040 5.348 8 2HE MET 1 2HE MET 1 -13.968 17.758 4.666 9 3HE MET 1 3HE MET 1 -12.978 16.676 3.688 10 H ALA 2 H ALA 2 -9.208 15.116 5.306 11 HA ALA 2 HA ALA 2 -9.141 14.081 2.565 12 1HB ALA 2 1HB ALA 2 -8.279 16.226 1.913 13 2HB ALA 2 2HB ALA 2 -8.074 16.704 3.598 14 3HB ALA 2 3HB ALA 2 -9.693 16.473 2.938 15 H ASP 3 H ASP 3 -6.749 15.039 1.674 16 HA ASP 3 HA ASP 3 -4.544 14.545 1.482 17 1HB ASP 3 1HB ASP 3 -4.319 15.764 3.596 18 2HB ASP 3 2HB ASP 3 -4.670 14.291 4.494 19 H GLU 4 H GLU 4 -5.006 12.474 4.312 20 HA GLU 4 HA GLU 4 -3.841 10.238 3.008 21 1HB GLU 4 1HB GLU 4 -5.417 10.359 5.586 22 2HB GLU 4 2HB GLU 4 -4.435 9.001 5.054 23 1HG GLU 4 1HG GLU 4 -2.442 10.421 5.132 24 2HG GLU 4 2HG GLU 4 -3.435 11.766 5.691 25 H ASN 5 H ASN 5 -5.106 9.932 1.142 26 HA ASN 5 HA ASN 5 -7.053 7.941 1.295 27 1HB ASN 5 1HB ASN 5 -8.468 9.793 2.194 28 2HB ASN 5 2HB ASN 5 -8.235 10.660 0.678 29 1HD2 ASN 5 1HD2 ASN 5 -10.682 9.681 1.924 30 2HD2 ASN 5 2HD2 ASN 5 -11.421 8.630 0.770 31 H LYS 6 H LYS 6 -6.687 10.887 -0.660 32 HA LYS 6 HA LYS 6 -6.152 11.246 -2.827 33 1HB LYS 6 1HB LYS 6 -4.141 9.922 -2.281 34 2HB LYS 6 2HB LYS 6 -4.996 8.455 -2.741 35 1HG LYS 6 1HG LYS 6 -3.518 9.191 -4.517 36 2HG LYS 6 2HG LYS 6 -5.205 9.288 -5.028 37 1HD LYS 6 1HD LYS 6 -5.188 11.704 -4.504 38 2HD LYS 6 2HD LYS 6 -3.476 11.580 -4.093 39 1HE LYS 6 1HE LYS 6 -3.795 12.436 -6.361 40 2HE LYS 6 2HE LYS 6 -2.966 10.879 -6.369 41 1HZ LYS 6 1HZ LYS 6 -4.684 11.012 -8.075 42 2HZ LYS 6 2HZ LYS 6 -5.863 11.283 -6.893 43 3HZ LYS 6 3HZ LYS 6 -5.043 9.805 -6.944 44 H TRP 7 H TRP 7 -6.685 7.746 -3.170 45 HA TRP 7 HA TRP 7 -9.039 8.395 -4.817 46 1HB TRP 7 1HB TRP 7 -8.319 6.118 -5.972 47 2HB TRP 7 2HB TRP 7 -7.643 7.664 -6.468 48 HD1 TRP 7 HD1 TRP 7 -6.581 5.324 -3.541 49 HE1 TRP 7 HE1 TRP 7 -4.067 4.847 -3.794 50 HE3 TRP 7 HE3 TRP 7 -5.707 7.860 -7.894 51 HZ2 TRP 7 HZ2 TRP 7 -1.987 5.459 -5.601 52 HZ3 TRP 7 HZ3 TRP 7 -3.428 7.862 -8.819 53 HH2 TRP 7 HH2 TRP 7 -1.606 6.686 -7.695 54 H VAL 8 H VAL 8 -10.673 7.940 -3.464 55 HA VAL 8 HA VAL 8 -10.731 5.322 -2.126 56 HB VAL 8 HB VAL 8 -11.201 7.178 -0.646 57 1HG1 VAL 8 1HG1 VAL 8 -13.074 8.691 -0.988 58 2HG1 VAL 8 2HG1 VAL 8 -13.452 7.901 -2.519 59 3HG1 VAL 8 3HG1 VAL 8 -11.942 8.792 -2.336 60 1HG2 VAL 8 1HG2 VAL 8 -12.448 5.089 -0.305 61 2HG2 VAL 8 2HG2 VAL 8 -13.757 5.720 -1.304 62 3HG2 VAL 8 3HG2 VAL 8 -13.362 6.499 0.228 63 H ARG 9 H ARG 9 -12.252 3.804 -2.632 64 HA ARG 9 HA ARG 9 -13.843 2.685 -3.794 65 1HB ARG 9 1HB ARG 9 -14.880 5.463 -4.345 66 2HB ARG 9 2HB ARG 9 -15.714 3.999 -4.837 67 1HG ARG 9 1HG ARG 9 -15.901 3.317 -2.498 68 2HG ARG 9 2HG ARG 9 -15.075 4.796 -2.006 69 1HD ARG 9 1HD ARG 9 -17.468 5.060 -1.750 70 2HD ARG 9 2HD ARG 9 -16.877 6.119 -3.030 71 HE ARG 9 HE ARG 9 -17.934 3.535 -3.849 72 1HH1 ARG 9 1HH1 ARG 9 -18.454 6.958 -3.467 73 2HH1 ARG 9 2HH1 ARG 9 -19.800 7.006 -4.556 74 1HH2 ARG 9 1HH2 ARG 9 -19.704 3.588 -5.284 75 2HH2 ARG 9 2HH2 ARG 9 -20.512 5.089 -5.589 76 H ARG 10 H ARG 10 -13.589 5.534 -5.899 77 HA ARG 10 HA ARG 10 -13.544 4.234 -8.307 78 1HB ARG 10 1HB ARG 10 -12.331 6.222 -9.189 79 2HB ARG 10 2HB ARG 10 -13.710 6.640 -8.180 80 1HG ARG 10 1HG ARG 10 -12.230 7.101 -6.311 81 2HG ARG 10 2HG ARG 10 -10.835 6.636 -7.285 82 1HD ARG 10 1HD ARG 10 -11.215 8.471 -8.795 83 2HD ARG 10 2HD ARG 10 -12.721 8.884 -7.975 84 HE ARG 10 HE ARG 10 -10.709 8.989 -6.070 85 1HH1 ARG 10 1HH1 ARG 10 -11.537 10.620 -9.036 86 2HH1 ARG 10 2HH1 ARG 10 -10.804 12.118 -8.566 87 1HH2 ARG 10 1HH2 ARG 10 -9.744 10.954 -5.442 88 2HH2 ARG 10 2HH2 ARG 10 -9.785 12.309 -6.521 89 H ASP 11 H ASP 11 -11.751 3.883 -9.834 90 HA ASP 11 HA ASP 11 -9.724 3.053 -10.472 91 1HB ASP 11 1HB ASP 11 -8.753 4.851 -9.046 92 2HB ASP 11 2HB ASP 11 -8.779 3.738 -7.680 93 H VAL 12 H VAL 12 -11.634 1.830 -8.050 94 HA VAL 12 HA VAL 12 -10.312 -0.783 -8.238 95 HB VAL 12 HB VAL 12 -11.311 0.444 -5.663 96 1HG1 VAL 12 1HG1 VAL 12 -10.138 -2.284 -6.203 97 2HG1 VAL 12 2HG1 VAL 12 -11.802 -1.931 -5.738 98 3HG1 VAL 12 3HG1 VAL 12 -10.488 -1.619 -4.606 99 1HG2 VAL 12 1HG2 VAL 12 -8.986 0.310 -4.937 100 2HG2 VAL 12 2HG2 VAL 12 -9.146 1.325 -6.370 101 3HG2 VAL 12 3HG2 VAL 12 -8.520 -0.318 -6.518 102 H SER 13 H SER 13 -13.153 0.693 -6.675 103 HA SER 13 HA SER 13 -15.369 0.241 -6.747 104 1HB SER 13 1HB SER 13 -16.351 -0.285 -8.796 105 2HB SER 13 2HB SER 13 -14.813 0.435 -9.273 106 HG SER 13 HG SER 13 -14.254 -1.396 -10.125 107 H THR 14 H THR 14 -13.476 -1.722 -5.528 108 HA THR 14 HA THR 14 -15.181 -4.123 -5.707 109 HB THR 14 HB THR 14 -13.338 -5.463 -4.959 110 HG1 THR 14 HG1 THR 14 -11.295 -4.462 -4.517 111 1HG2 THR 14 1HG2 THR 14 -13.372 -4.975 -7.349 112 2HG2 THR 14 2HG2 THR 14 -11.713 -5.120 -6.771 113 3HG2 THR 14 3HG2 THR 14 -12.403 -3.527 -7.080 114 H ALA 15 H ALA 15 -14.567 -5.442 -3.437 115 HA ALA 15 HA ALA 15 -16.143 -4.187 -1.491 116 1HB ALA 15 1HB ALA 15 -15.406 -5.984 0.014 117 2HB ALA 15 2HB ALA 15 -14.178 -6.449 -1.163 118 3HB ALA 15 3HB ALA 15 -15.888 -6.596 -1.569 119 H LEU 16 H LEU 16 -12.625 -4.478 -1.772 120 HA LEU 16 HA LEU 16 -11.916 -3.341 0.676 121 1HB LEU 16 1HB LEU 16 -10.361 -2.913 -1.859 122 2HB LEU 16 2HB LEU 16 -9.750 -3.064 -0.222 123 HG LEU 16 HG LEU 16 -11.054 -5.331 -1.724 124 1HD1 LEU 16 1HD1 LEU 16 -9.059 -4.691 -2.914 125 2HD1 LEU 16 2HD1 LEU 16 -8.757 -6.185 -2.027 126 3HD1 LEU 16 3HD1 LEU 16 -8.134 -4.653 -1.415 127 1HD2 LEU 16 1HD2 LEU 16 -11.136 -5.579 0.681 128 2HD2 LEU 16 2HD2 LEU 16 -9.413 -5.221 0.804 129 3HD2 LEU 16 3HD2 LEU 16 -9.952 -6.699 0.007 130 H SER 17 H SER 17 -12.532 -1.828 -2.464 131 HA SER 17 HA SER 17 -12.136 0.817 -1.347 132 1HB SER 17 1HB SER 17 -12.457 1.629 -3.593 133 2HB SER 17 2HB SER 17 -11.397 0.224 -3.664 134 HG SER 17 HG SER 17 -13.911 0.583 -4.698 135 H ARG 18 H ARG 18 -14.609 -1.396 -1.459 136 HA ARG 18 HA ARG 18 -16.850 0.244 -1.983 137 1HB ARG 18 1HB ARG 18 -16.760 -2.298 -1.934 138 2HB ARG 18 2HB ARG 18 -16.821 -2.176 -0.181 139 1HG ARG 18 1HG ARG 18 -19.020 -2.588 -0.928 140 2HG ARG 18 2HG ARG 18 -18.955 -0.891 -0.442 141 1HD ARG 18 1HD ARG 18 -20.173 -1.131 -2.533 142 2HD ARG 18 2HD ARG 18 -18.672 -0.241 -2.790 143 HE ARG 18 HE ARG 18 -18.164 -2.939 -3.289 144 1HH1 ARG 18 1HH1 ARG 18 -20.054 -0.334 -4.625 145 2HH1 ARG 18 2HH1 ARG 18 -19.994 -0.947 -6.243 146 1HH2 ARG 18 1HH2 ARG 18 -18.077 -3.756 -5.415 147 2HH2 ARG 18 2HH2 ARG 18 -18.869 -2.898 -6.694 148 H MET 19 H MET 19 -15.509 -0.931 1.105 149 HA MET 19 HA MET 19 -17.103 0.955 2.606 150 1HB MET 19 1HB MET 19 -14.836 -0.603 3.795 151 2HB MET 19 2HB MET 19 -16.369 -0.142 4.524 152 1HG MET 19 1HG MET 19 -17.442 -1.749 2.859 153 2HG MET 19 2HG MET 19 -15.810 -2.357 2.583 154 1HE MET 19 1HE MET 19 -17.683 -1.102 5.836 155 2HE MET 19 2HE MET 19 -18.160 -2.648 6.535 156 3HE MET 19 3HE MET 19 -18.840 -2.130 4.993 157 H GLY 20 H GLY 20 -14.296 1.117 0.865 158 1HA GLY 20 1HA GLY 20 -12.776 2.818 0.604 159 2HA GLY 20 2HA GLY 20 -13.646 3.721 1.833 160 H ASP 21 H ASP 21 -12.096 4.404 3.167 161 HA ASP 21 HA ASP 21 -9.764 2.920 3.792 162 1HB ASP 21 1HB ASP 21 -9.356 4.686 5.467 163 2HB ASP 21 2HB ASP 21 -9.798 5.355 3.893 164 H GLU 22 H GLU 22 -12.848 2.306 4.652 165 HA GLU 22 HA GLU 22 -12.318 1.478 7.388 166 1HB GLU 22 1HB GLU 22 -14.506 2.471 6.790 167 2HB GLU 22 2HB GLU 22 -14.800 1.131 5.691 168 1HG GLU 22 1HG GLU 22 -15.998 0.802 7.758 169 2HG GLU 22 2HG GLU 22 -14.744 -0.424 7.579 170 H ALA 23 H ALA 23 -12.488 0.182 4.182 171 HA ALA 23 HA ALA 23 -12.504 -2.582 5.080 172 1HB ALA 23 1HB ALA 23 -13.697 -1.776 3.005 173 2HB ALA 23 2HB ALA 23 -12.661 -3.187 2.799 174 3HB ALA 23 3HB ALA 23 -12.107 -1.601 2.269 175 H PHE 24 H PHE 24 -10.275 -0.299 5.165 176 HA PHE 24 HA PHE 24 -8.004 -1.306 3.875 177 1HB PHE 24 1HB PHE 24 -8.313 0.984 4.867 178 2HB PHE 24 2HB PHE 24 -8.098 0.258 6.456 179 HD1 PHE 24 HD1 PHE 24 -6.251 -0.612 3.367 180 HD2 PHE 24 HD2 PHE 24 -6.145 1.317 7.157 181 HE1 PHE 24 HE1 PHE 24 -3.826 -0.343 3.157 182 HE2 PHE 24 HE2 PHE 24 -3.716 1.591 6.951 183 HZ PHE 24 HZ PHE 24 -2.547 0.761 4.948 184 H GLU 25 H GLU 25 -9.346 -1.872 7.084 185 HA GLU 25 HA GLU 25 -7.250 -3.480 8.069 186 1HB GLU 25 1HB GLU 25 -10.122 -3.119 8.803 187 2HB GLU 25 2HB GLU 25 -9.194 -4.428 9.510 188 1HG GLU 25 1HG GLU 25 -8.251 -1.587 9.596 189 2HG GLU 25 2HG GLU 25 -9.336 -2.254 10.815 190 HA PRO 26 HA PRO 26 -10.307 -7.263 6.664 191 1HB PRO 26 1HB PRO 26 -10.812 -5.779 4.104 192 2HB PRO 26 2HB PRO 26 -11.794 -7.023 4.886 193 1HG PRO 26 1HG PRO 26 -12.401 -4.422 5.099 194 2HG PRO 26 2HG PRO 26 -12.665 -5.554 6.435 195 1HD PRO 26 1HD PRO 26 -10.682 -3.396 6.184 196 2HD PRO 26 2HD PRO 26 -11.274 -4.218 7.635 197 H LEU 27 H LEU 27 -8.255 -5.128 4.796 198 HA LEU 27 HA LEU 27 -7.139 -7.041 3.039 199 1HB LEU 27 1HB LEU 27 -6.335 -4.339 4.045 200 2HB LEU 27 2HB LEU 27 -5.224 -5.267 3.051 201 HG LEU 27 HG LEU 27 -8.019 -4.525 2.186 202 1HD1 LEU 27 1HD1 LEU 27 -7.024 -2.783 0.848 203 2HD1 LEU 27 2HD1 LEU 27 -5.415 -3.208 1.429 204 3HD1 LEU 27 3HD1 LEU 27 -6.603 -2.530 2.542 205 1HD2 LEU 27 1HD2 LEU 27 -7.199 -5.133 -0.033 206 2HD2 LEU 27 2HD2 LEU 27 -7.092 -6.493 1.082 207 3HD2 LEU 27 3HD2 LEU 27 -5.642 -5.583 0.660 208 H LEU 28 H LEU 28 -5.760 -5.493 5.930 209 HA LEU 28 HA LEU 28 -3.552 -7.247 6.146 210 1HB LEU 28 1HB LEU 28 -3.362 -5.124 7.171 211 2HB LEU 28 2HB LEU 28 -4.877 -5.312 8.030 212 HG LEU 28 HG LEU 28 -3.790 -7.104 9.408 213 1HD1 LEU 28 1HD1 LEU 28 -1.410 -7.336 9.408 214 2HD1 LEU 28 2HD1 LEU 28 -1.235 -6.062 8.203 215 3HD1 LEU 28 3HD1 LEU 28 -1.985 -7.595 7.762 216 1HD2 LEU 28 1HD2 LEU 28 -2.552 -5.541 10.814 217 2HD2 LEU 28 2HD2 LEU 28 -4.054 -4.823 10.232 218 3HD2 LEU 28 3HD2 LEU 28 -2.517 -4.372 9.494 219 H GLU 29 H GLU 29 -6.846 -7.510 7.007 220 HA GLU 29 HA GLU 29 -6.494 -9.454 9.088 221 1HB GLU 29 1HB GLU 29 -8.442 -7.973 9.087 222 2HB GLU 29 2HB GLU 29 -8.965 -8.647 7.549 223 1HG GLU 29 1HG GLU 29 -9.267 -10.828 8.603 224 2HG GLU 29 2HG GLU 29 -8.741 -10.156 10.144 225 H SER 30 H SER 30 -7.136 -9.457 5.647 226 HA SER 30 HA SER 30 -7.883 -12.166 5.380 227 1HB SER 30 1HB SER 30 -6.676 -10.234 3.392 228 2HB SER 30 2HB SER 30 -7.293 -11.829 2.968 229 HG SER 30 HG SER 30 -8.706 -9.771 2.900 230 H LEU 31 H LEU 31 -4.808 -10.621 5.748 231 HA LEU 31 HA LEU 31 -3.146 -12.551 4.567 232 1HB LEU 31 1HB LEU 31 -2.553 -10.788 6.945 233 2HB LEU 31 2HB LEU 31 -1.363 -11.616 5.960 234 HG LEU 31 HG LEU 31 -3.185 -9.393 5.031 235 1HD1 LEU 31 1HD1 LEU 31 -1.370 -8.704 6.560 236 2HD1 LEU 31 2HD1 LEU 31 -1.190 -8.052 4.933 237 3HD1 LEU 31 3HD1 LEU 31 -0.202 -9.417 5.450 238 1HD2 LEU 31 1HD2 LEU 31 -1.832 -9.461 2.973 239 2HD2 LEU 31 2HD2 LEU 31 -2.749 -10.946 3.224 240 3HD2 LEU 31 3HD2 LEU 31 -1.020 -10.908 3.574 241 H SER 32 H SER 32 -5.138 -12.794 7.268 242 HA SER 32 HA SER 32 -3.508 -14.790 8.621 243 1HB SER 32 1HB SER 32 -6.267 -13.737 9.287 244 2HB SER 32 2HB SER 32 -5.295 -14.798 10.307 245 HG SER 32 HG SER 32 -4.581 -12.176 9.483 246 H ASN 33 H ASN 33 -4.821 -15.132 5.889 247 HA ASN 33 HA ASN 33 -6.515 -17.457 6.486 248 1HB ASN 33 1HB ASN 33 -6.180 -15.850 3.948 249 2HB ASN 33 2HB ASN 33 -7.158 -17.308 4.068 250 1HD2 ASN 33 1HD2 ASN 33 -8.064 -16.717 6.760 251 2HD2 ASN 33 2HD2 ASN 33 -9.227 -15.449 6.609 252 H GLU 34 H GLU 34 -6.002 -19.480 5.827 253 HA GLU 34 HA GLU 34 -3.284 -20.097 5.308 254 1HB GLU 34 1HB GLU 34 -5.760 -21.817 5.086 255 2HB GLU 34 2HB GLU 34 -4.111 -22.423 5.018 256 1HG GLU 34 1HG GLU 34 -4.825 -22.822 7.202 257 2HG GLU 34 2HG GLU 34 -3.792 -21.398 7.307 258 H ASP 35 H ASP 35 -5.847 -19.174 3.304 259 HA ASP 35 HA ASP 35 -5.036 -20.563 0.933 260 1HB ASP 35 1HB ASP 35 -7.370 -19.735 1.399 261 2HB ASP 35 2HB ASP 35 -6.778 -18.100 1.110 262 H TRP 36 H TRP 36 -4.117 -19.645 -0.957 263 HA TRP 36 HA TRP 36 -2.181 -17.538 -0.358 264 1HB TRP 36 1HB TRP 36 -2.340 -19.332 -2.788 265 2HB TRP 36 2HB TRP 36 -0.991 -18.297 -2.327 266 HD1 TRP 36 HD1 TRP 36 -0.993 -19.169 0.797 267 HE1 TRP 36 HE1 TRP 36 -0.025 -21.478 1.411 268 HE3 TRP 36 HE3 TRP 36 -1.389 -21.456 -3.755 269 HZ2 TRP 36 HZ2 TRP 36 0.493 -23.935 0.140 270 HZ3 TRP 36 HZ3 TRP 36 -0.637 -23.791 -3.970 271 HH2 TRP 36 HH2 TRP 36 0.285 -24.999 -2.058 272 H ARG 37 H ARG 37 -4.824 -18.295 -2.527 273 HA ARG 37 HA ARG 37 -4.561 -16.177 -4.332 274 1HB ARG 37 1HB ARG 37 -6.138 -18.205 -4.418 275 2HB ARG 37 2HB ARG 37 -7.214 -17.258 -3.403 276 1HG ARG 37 1HG ARG 37 -6.190 -16.136 -5.975 277 2HG ARG 37 2HG ARG 37 -7.548 -17.260 -5.962 278 1HD ARG 37 1HD ARG 37 -7.381 -14.623 -4.507 279 2HD ARG 37 2HD ARG 37 -8.352 -14.973 -5.934 280 HE ARG 37 HE ARG 37 -9.046 -16.764 -3.884 281 1HH1 ARG 37 1HH1 ARG 37 -9.320 -13.390 -4.712 282 2HH1 ARG 37 2HH1 ARG 37 -10.784 -13.157 -3.817 283 1HH2 ARG 37 1HH2 ARG 37 -10.974 -16.465 -2.705 284 2HH2 ARG 37 2HH2 ARG 37 -11.724 -14.904 -2.677 285 H ILE 38 H ILE 38 -6.081 -16.361 -1.166 286 HA ILE 38 HA ILE 38 -7.196 -13.728 -1.265 287 HB ILE 38 HB ILE 38 -6.644 -15.397 1.189 288 1HG1 ILE 38 1HG1 ILE 38 -9.186 -15.314 -0.446 289 2HG1 ILE 38 2HG1 ILE 38 -7.981 -16.589 -0.585 290 1HG2 ILE 38 1HG2 ILE 38 -8.652 -13.207 0.680 291 2HG2 ILE 38 2HG2 ILE 38 -7.162 -13.042 1.608 292 3HG2 ILE 38 3HG2 ILE 38 -8.447 -14.102 2.185 293 1HD1 ILE 38 1HD1 ILE 38 -9.774 -17.329 0.822 294 2HD1 ILE 38 2HD1 ILE 38 -9.609 -15.907 1.850 295 3HD1 ILE 38 3HD1 ILE 38 -8.324 -17.114 1.803 296 H ARG 39 H ARG 39 -4.221 -15.166 -0.091 297 HA ARG 39 HA ARG 39 -3.254 -13.039 1.454 298 1HB ARG 39 1HB ARG 39 -2.163 -15.466 0.224 299 2HB ARG 39 2HB ARG 39 -0.988 -14.168 0.384 300 1HG ARG 39 1HG ARG 39 -2.672 -15.206 2.651 301 2HG ARG 39 2HG ARG 39 -1.033 -15.755 2.290 302 1HD ARG 39 1HD ARG 39 -0.291 -13.372 2.491 303 2HD ARG 39 2HD ARG 39 -1.907 -12.983 3.072 304 HE ARG 39 HE ARG 39 -1.178 -14.940 4.749 305 1HH1 ARG 39 1HH1 ARG 39 0.474 -12.063 3.684 306 2HH1 ARG 39 2HH1 ARG 39 1.382 -11.884 5.148 307 1HH2 ARG 39 1HH2 ARG 39 0.016 -14.718 6.682 308 2HH2 ARG 39 2HH2 ARG 39 1.123 -13.396 6.854 309 H GLY 40 H GLY 40 -2.476 -13.873 -1.926 310 1HA GLY 40 1HA GLY 40 -0.873 -11.654 -2.468 311 2HA GLY 40 2HA GLY 40 -1.743 -12.586 -3.674 312 H ALA 41 H ALA 41 -4.300 -12.089 -3.375 313 HA ALA 41 HA ALA 41 -4.813 -9.674 -4.525 314 1HB ALA 41 1HB ALA 41 -6.428 -11.537 -4.320 315 2HB ALA 41 2HB ALA 41 -7.129 -9.967 -3.931 316 3HB ALA 41 3HB ALA 41 -6.694 -11.084 -2.638 317 H ALA 42 H ALA 42 -4.560 -10.363 -1.083 318 HA ALA 42 HA ALA 42 -5.566 -7.933 -0.107 319 1HB ALA 42 1HB ALA 42 -5.232 -9.886 1.314 320 2HB ALA 42 2HB ALA 42 -4.392 -8.478 1.966 321 3HB ALA 42 3HB ALA 42 -3.484 -9.735 1.125 322 H ALA 43 H ALA 43 -2.187 -8.928 -0.673 323 HA ALA 43 HA ALA 43 -1.097 -6.373 -0.072 324 1HB ALA 43 1HB ALA 43 0.225 -8.392 0.145 325 2HB ALA 43 2HB ALA 43 0.986 -7.280 -0.992 326 3HB ALA 43 3HB ALA 43 0.101 -8.683 -1.590 327 H TRP 44 H TRP 44 -2.421 -7.799 -2.948 328 HA TRP 44 HA TRP 44 -1.147 -6.278 -4.913 329 1HB TRP 44 1HB TRP 44 -3.560 -7.946 -4.748 330 2HB TRP 44 2HB TRP 44 -3.606 -6.711 -6.003 331 HD1 TRP 44 HD1 TRP 44 -1.680 -9.857 -4.973 332 HE1 TRP 44 HE1 TRP 44 -0.339 -10.702 -6.999 333 HE3 TRP 44 HE3 TRP 44 -2.549 -5.985 -8.197 334 HZ2 TRP 44 HZ2 TRP 44 0.272 -9.847 -9.614 335 HZ3 TRP 44 HZ3 TRP 44 -1.553 -6.078 -10.445 336 HH2 TRP 44 HH2 TRP 44 -0.173 -7.970 -11.138 337 H ILE 45 H ILE 45 -4.092 -5.554 -3.045 338 HA ILE 45 HA ILE 45 -4.299 -2.982 -4.440 339 HB ILE 45 HB ILE 45 -6.266 -4.150 -2.476 340 1HG1 ILE 45 1HG1 ILE 45 -6.006 -5.669 -4.385 341 2HG1 ILE 45 2HG1 ILE 45 -7.573 -4.869 -4.430 342 1HG2 ILE 45 1HG2 ILE 45 -7.830 -2.581 -3.582 343 2HG2 ILE 45 2HG2 ILE 45 -6.476 -1.935 -4.509 344 3HG2 ILE 45 3HG2 ILE 45 -6.501 -1.771 -2.753 345 1HD1 ILE 45 1HD1 ILE 45 -5.180 -4.025 -6.046 346 2HD1 ILE 45 2HD1 ILE 45 -6.819 -3.382 -6.159 347 3HD1 ILE 45 3HD1 ILE 45 -6.490 -5.048 -6.636 348 H ILE 46 H ILE 46 -3.416 -4.335 -1.387 349 HA ILE 46 HA ILE 46 -3.933 -2.169 0.302 350 HB ILE 46 HB ILE 46 -3.096 -4.612 0.803 351 1HG1 ILE 46 1HG1 ILE 46 -2.250 -2.285 2.531 352 2HG1 ILE 46 2HG1 ILE 46 -3.899 -2.887 2.406 353 1HG2 ILE 46 1HG2 ILE 46 -0.516 -3.061 0.952 354 2HG2 ILE 46 2HG2 ILE 46 -0.891 -4.307 -0.239 355 3HG2 ILE 46 3HG2 ILE 46 -0.771 -4.728 1.470 356 1HD1 ILE 46 1HD1 ILE 46 -1.545 -4.482 3.380 357 2HD1 ILE 46 2HD1 ILE 46 -3.224 -5.016 3.328 358 3HD1 ILE 46 3HD1 ILE 46 -2.747 -3.704 4.406 359 H GLY 47 H GLY 47 -1.235 -2.749 -1.884 360 1HA GLY 47 1HA GLY 47 0.549 -0.839 -0.841 361 2HA GLY 47 2HA GLY 47 0.544 -1.432 -2.493 362 H ASN 48 H ASN 48 -2.263 -0.454 -2.859 363 HA ASN 48 HA ASN 48 -1.588 2.105 -3.897 364 1HB ASN 48 1HB ASN 48 -4.270 0.744 -3.611 365 2HB ASN 48 2HB ASN 48 -3.988 2.225 -4.522 366 1HD2 ASN 48 1HD2 ASN 48 -3.516 -1.208 -4.407 367 2HD2 ASN 48 2HD2 ASN 48 -2.995 -1.396 -6.043 368 H PHE 49 H PHE 49 -2.127 1.312 -0.758 369 HA PHE 49 HA PHE 49 -3.709 3.685 -0.133 370 1HB PHE 49 1HB PHE 49 -2.761 1.369 1.547 371 2HB PHE 49 2HB PHE 49 -3.554 2.784 2.234 372 HD1 PHE 49 HD1 PHE 49 -5.879 2.941 2.272 373 HD2 PHE 49 HD2 PHE 49 -4.012 0.055 -0.237 374 HE1 PHE 49 HE1 PHE 49 -8.078 1.955 1.775 375 HE2 PHE 49 HE2 PHE 49 -6.207 -0.935 -0.739 376 HZ PHE 49 HZ PHE 49 -8.243 0.015 0.268 377 H GLN 50 H GLN 50 -0.429 2.536 0.047 378 HA GLN 50 HA GLN 50 1.530 3.563 0.574 379 1HB GLN 50 1HB GLN 50 -0.212 6.013 0.298 380 2HB GLN 50 2HB GLN 50 1.514 6.101 0.622 381 1HG GLN 50 1HG GLN 50 1.780 6.122 -1.578 382 2HG GLN 50 2HG GLN 50 1.382 4.405 -1.521 383 1HE2 GLN 50 1HE2 GLN 50 0.944 6.341 -3.646 384 2HE2 GLN 50 2HE2 GLN 50 -0.755 6.344 -3.957 385 H ASP 51 H ASP 51 -0.404 2.699 2.603 386 HA ASP 51 HA ASP 51 0.290 4.457 4.847 387 1HB ASP 51 1HB ASP 51 -1.848 2.397 4.416 388 2HB ASP 51 2HB ASP 51 -1.409 2.907 6.039 389 H GLU 52 H GLU 52 0.760 3.316 6.944 390 HA GLU 52 HA GLU 52 3.032 1.667 6.643 391 1HB GLU 52 1HB GLU 52 2.921 1.471 9.128 392 2HB GLU 52 2HB GLU 52 2.876 3.126 8.541 393 1HG GLU 52 1HG GLU 52 0.439 3.148 8.835 394 2HG GLU 52 2HG GLU 52 0.515 1.506 9.470 395 H ARG 53 H ARG 53 -0.336 0.984 7.348 396 HA ARG 53 HA ARG 53 0.005 -1.718 8.123 397 1HB ARG 53 1HB ARG 53 -2.026 -0.384 8.611 398 2HB ARG 53 2HB ARG 53 -2.417 -0.386 6.901 399 1HG ARG 53 1HG ARG 53 -2.898 -2.678 6.893 400 2HG ARG 53 2HG ARG 53 -2.112 -2.930 8.456 401 1HD ARG 53 1HD ARG 53 -4.652 -1.384 7.949 402 2HD ARG 53 2HD ARG 53 -4.528 -2.974 8.701 403 HE ARG 53 HE ARG 53 -3.040 -1.588 10.367 404 1HH1 ARG 53 1HH1 ARG 53 -6.059 -0.682 8.884 405 2HH1 ARG 53 2HH1 ARG 53 -6.546 0.340 10.195 406 1HH2 ARG 53 1HH2 ARG 53 -3.669 -0.245 12.100 407 2HH2 ARG 53 2HH2 ARG 53 -5.185 0.590 12.024 408 H ALA 54 H ALA 54 0.456 -0.207 5.179 409 HA ALA 54 HA ALA 54 -0.185 -2.622 3.627 410 1HB ALA 54 1HB ALA 54 -0.140 -1.228 1.661 411 2HB ALA 54 2HB ALA 54 0.431 0.147 2.606 412 3HB ALA 54 3HB ALA 54 -1.193 -0.490 2.868 413 H VAL 55 H VAL 55 2.298 -1.320 5.250 414 HA VAL 55 HA VAL 55 4.382 -1.797 3.281 415 HB VAL 55 HB VAL 55 4.591 -0.936 6.169 416 1HG1 VAL 55 1HG1 VAL 55 6.627 -1.996 5.436 417 2HG1 VAL 55 2HG1 VAL 55 6.875 -0.254 5.547 418 3HG1 VAL 55 3HG1 VAL 55 6.648 -1.014 3.973 419 1HG2 VAL 55 1HG2 VAL 55 5.112 1.292 5.157 420 2HG2 VAL 55 2HG2 VAL 55 3.448 0.755 4.934 421 3HG2 VAL 55 3HG2 VAL 55 4.597 0.639 3.601 422 H GLU 56 H GLU 56 3.465 -3.029 6.497 423 HA GLU 56 HA GLU 56 5.434 -4.995 6.691 424 1HB GLU 56 1HB GLU 56 4.171 -4.327 8.628 425 2HB GLU 56 2HB GLU 56 2.672 -4.892 7.902 426 1HG GLU 56 1HG GLU 56 4.839 -6.878 8.213 427 2HG GLU 56 2HG GLU 56 4.051 -6.308 9.686 428 HA PRO 57 HA PRO 57 1.941 -8.076 4.905 429 1HB PRO 57 1HB PRO 57 0.967 -6.094 2.899 430 2HB PRO 57 2HB PRO 57 0.097 -7.408 3.698 431 1HG PRO 57 1HG PRO 57 -0.261 -4.897 4.477 432 2HG PRO 57 2HG PRO 57 -0.171 -6.207 5.668 433 1HD PRO 57 1HD PRO 57 1.864 -4.148 4.951 434 2HD PRO 57 2HD PRO 57 1.510 -4.887 6.526 435 H LEU 58 H LEU 58 3.776 -5.618 3.195 436 HA LEU 58 HA LEU 58 4.214 -7.205 0.860 437 1HB LEU 58 1HB LEU 58 5.887 -4.883 1.794 438 2HB LEU 58 2HB LEU 58 5.724 -5.491 0.159 439 HG LEU 58 HG LEU 58 3.643 -4.017 1.762 440 1HD1 LEU 58 1HD1 LEU 58 3.836 -2.354 -0.004 441 2HD1 LEU 58 2HD1 LEU 58 5.071 -3.331 -0.799 442 3HD1 LEU 58 3HD1 LEU 58 5.390 -2.624 0.785 443 1HD2 LEU 58 1HD2 LEU 58 2.573 -5.796 0.474 444 2HD2 LEU 58 2HD2 LEU 58 3.391 -5.235 -0.984 445 3HD2 LEU 58 3HD2 LEU 58 2.196 -4.208 -0.193 446 H ILE 59 H ILE 59 6.318 -6.244 3.562 447 HA ILE 59 HA ILE 59 8.607 -7.603 2.900 448 HB ILE 59 HB ILE 59 7.488 -7.335 5.688 449 1HG1 ILE 59 1HG1 ILE 59 7.536 -5.174 4.545 450 2HG1 ILE 59 2HG1 ILE 59 8.775 -5.238 5.793 451 1HG2 ILE 59 1HG2 ILE 59 10.345 -7.606 4.765 452 2HG2 ILE 59 2HG2 ILE 59 9.384 -8.890 5.498 453 3HG2 ILE 59 3HG2 ILE 59 9.789 -7.450 6.431 454 1HD1 ILE 59 1HD1 ILE 59 10.483 -5.592 4.132 455 2HD1 ILE 59 2HD1 ILE 59 9.538 -4.162 3.722 456 3HD1 ILE 59 3HD1 ILE 59 9.268 -5.672 2.857 457 H LYS 60 H LYS 60 5.851 -8.863 4.746 458 HA LYS 60 HA LYS 60 6.971 -11.443 5.139 459 1HB LYS 60 1HB LYS 60 4.069 -10.618 5.254 460 2HB LYS 60 2HB LYS 60 4.775 -12.059 5.970 461 1HG LYS 60 1HG LYS 60 5.516 -9.246 6.745 462 2HG LYS 60 2HG LYS 60 4.324 -10.234 7.589 463 1HD LYS 60 1HD LYS 60 7.196 -11.054 7.175 464 2HD LYS 60 2HD LYS 60 6.607 -10.233 8.622 465 1HE LYS 60 1HE LYS 60 5.505 -12.842 7.596 466 2HE LYS 60 2HE LYS 60 6.767 -12.722 8.822 467 1HZ LYS 60 1HZ LYS 60 4.557 -13.003 9.791 468 2HZ LYS 60 2HZ LYS 60 4.038 -11.571 9.057 469 3HZ LYS 60 3HZ LYS 60 5.244 -11.523 10.242 470 H LEU 61 H LEU 61 5.038 -10.038 2.583 471 HA LEU 61 HA LEU 61 4.420 -12.643 1.451 472 1HB LEU 61 1HB LEU 61 3.079 -10.272 1.485 473 2HB LEU 61 2HB LEU 61 3.770 -10.260 -0.125 474 HG LEU 61 HG LEU 61 2.712 -12.420 -0.596 475 1HD1 LEU 61 1HD1 LEU 61 2.611 -13.435 1.550 476 2HD1 LEU 61 2HD1 LEU 61 0.946 -13.203 1.013 477 3HD1 LEU 61 3HD1 LEU 61 1.651 -12.107 2.202 478 1HD2 LEU 61 1HD2 LEU 61 0.441 -11.624 -0.764 479 2HD2 LEU 61 2HD2 LEU 61 1.561 -10.307 -1.118 480 3HD2 LEU 61 3HD2 LEU 61 0.756 -10.384 0.449 481 H LEU 62 H LEU 62 6.861 -10.271 1.081 482 HA LEU 62 HA LEU 62 7.450 -10.712 -1.668 483 1HB LEU 62 1HB LEU 62 9.015 -9.524 0.613 484 2HB LEU 62 2HB LEU 62 9.690 -9.683 -0.998 485 HG LEU 62 HG LEU 62 7.075 -8.280 -0.662 486 1HD1 LEU 62 1HD1 LEU 62 9.753 -6.963 -0.244 487 2HD1 LEU 62 2HD1 LEU 62 8.605 -7.333 1.042 488 3HD1 LEU 62 3HD1 LEU 62 8.172 -6.186 -0.226 489 1HD2 LEU 62 1HD2 LEU 62 7.919 -8.768 -2.899 490 2HD2 LEU 62 2HD2 LEU 62 9.416 -7.914 -2.525 491 3HD2 LEU 62 3HD2 LEU 62 7.892 -7.032 -2.591 492 H GLU 63 H GLU 63 7.915 -12.547 1.121 493 HA GLU 63 HA GLU 63 9.995 -14.163 -0.195 494 1HB GLU 63 1HB GLU 63 10.464 -15.010 2.136 495 2HB GLU 63 2HB GLU 63 10.877 -13.327 1.844 496 1HG GLU 63 1HG GLU 63 8.858 -12.608 2.967 497 2HG GLU 63 2HG GLU 63 8.365 -14.285 3.198 498 H ASP 64 H ASP 64 6.809 -14.100 0.081 499 HA ASP 64 HA ASP 64 6.063 -16.561 1.190 500 1HB ASP 64 1HB ASP 64 4.583 -14.567 0.458 501 2HB ASP 64 2HB ASP 64 4.605 -15.332 -1.129 502 H ASP 65 H ASP 65 7.284 -15.699 -1.909 503 HA ASP 65 HA ASP 65 7.948 -16.880 -3.737 504 1HB ASP 65 1HB ASP 65 9.368 -17.899 -1.923 505 2HB ASP 65 2HB ASP 65 8.194 -19.207 -1.827 506 H SER 66 H SER 66 5.023 -16.986 -2.935 507 HA SER 66 HA SER 66 4.200 -19.596 -3.918 508 1HB SER 66 1HB SER 66 2.870 -18.679 -2.133 509 2HB SER 66 2HB SER 66 2.615 -17.185 -3.027 510 HG SER 66 HG SER 66 1.053 -19.232 -3.040 511 H GLY 67 H GLY 67 4.641 -16.375 -5.090 512 1HA GLY 67 1HA GLY 67 5.012 -16.338 -7.558 513 2HA GLY 67 2HA GLY 67 3.464 -17.165 -7.686 514 H PHE 68 H PHE 68 1.676 -15.916 -7.963 515 HA PHE 68 HA PHE 68 1.888 -13.160 -8.362 516 1HB PHE 68 1HB PHE 68 -0.255 -13.307 -9.051 517 2HB PHE 68 2HB PHE 68 -0.095 -15.034 -8.768 518 HD1 PHE 68 HD1 PHE 68 -1.209 -16.098 -6.946 519 HD2 PHE 68 HD2 PHE 68 -1.412 -11.865 -7.416 520 HE1 PHE 68 HE1 PHE 68 -3.048 -16.004 -5.317 521 HE2 PHE 68 HE2 PHE 68 -3.251 -11.773 -5.790 522 HZ PHE 68 HZ PHE 68 -4.071 -13.841 -4.737 523 H VAL 69 H VAL 69 1.505 -15.034 -5.518 524 HA VAL 69 HA VAL 69 0.495 -13.025 -3.795 525 HB VAL 69 HB VAL 69 2.190 -15.406 -3.050 526 1HG1 VAL 69 1HG1 VAL 69 0.899 -15.218 -0.905 527 2HG1 VAL 69 2HG1 VAL 69 0.325 -13.652 -1.477 528 3HG1 VAL 69 3HG1 VAL 69 2.048 -13.919 -1.214 529 1HG2 VAL 69 1HG2 VAL 69 0.224 -16.054 -4.393 530 2HG2 VAL 69 2HG2 VAL 69 -0.814 -15.229 -3.230 531 3HG2 VAL 69 3HG2 VAL 69 0.128 -16.634 -2.730 532 H ARG 70 H ARG 70 3.709 -14.028 -4.799 533 HA ARG 70 HA ARG 70 5.063 -12.264 -2.990 534 1HB ARG 70 1HB ARG 70 6.156 -14.313 -3.726 535 2HB ARG 70 2HB ARG 70 6.087 -13.771 -5.398 536 1HG ARG 70 1HG ARG 70 7.506 -11.814 -4.718 537 2HG ARG 70 2HG ARG 70 7.710 -12.602 -3.154 538 1HD ARG 70 1HD ARG 70 8.322 -14.070 -5.688 539 2HD ARG 70 2HD ARG 70 9.496 -12.951 -4.998 540 HE ARG 70 HE ARG 70 8.469 -14.931 -3.159 541 1HH1 ARG 70 1HH1 ARG 70 10.940 -14.114 -5.471 542 2HH1 ARG 70 2HH1 ARG 70 12.096 -15.233 -4.829 543 1HH2 ARG 70 1HH2 ARG 70 9.986 -16.411 -2.302 544 2HH2 ARG 70 2HH2 ARG 70 11.552 -16.543 -3.029 545 H SER 71 H SER 71 4.537 -12.325 -6.500 546 HA SER 71 HA SER 71 5.777 -9.910 -7.128 547 1HB SER 71 1HB SER 71 3.432 -11.254 -8.486 548 2HB SER 71 2HB SER 71 4.396 -9.953 -9.185 549 HG SER 71 HG SER 71 4.881 -12.529 -9.296 550 H GLY 72 H GLY 72 2.497 -10.588 -6.039 551 1HA GLY 72 1HA GLY 72 1.285 -8.141 -6.522 552 2HA GLY 72 2HA GLY 72 0.880 -9.204 -5.181 553 H ALA 73 H ALA 73 3.016 -9.148 -3.585 554 HA ALA 73 HA ALA 73 2.805 -6.638 -2.300 555 1HB ALA 73 1HB ALA 73 4.661 -8.968 -1.874 556 2HB ALA 73 2HB ALA 73 3.203 -8.566 -0.965 557 3HB ALA 73 3HB ALA 73 4.633 -7.541 -0.839 558 H ALA 74 H ALA 74 5.138 -8.058 -4.483 559 HA ALA 74 HA ALA 74 7.306 -6.367 -4.146 560 1HB ALA 74 1HB ALA 74 7.945 -7.004 -6.422 561 2HB ALA 74 2HB ALA 74 6.327 -7.653 -6.691 562 3HB ALA 74 3HB ALA 74 7.386 -8.392 -5.489 563 H ARG 75 H ARG 75 4.831 -6.072 -6.700 564 HA ARG 75 HA ARG 75 5.646 -3.593 -7.662 565 1HB ARG 75 1HB ARG 75 3.256 -3.425 -8.512 566 2HB ARG 75 2HB ARG 75 4.175 -4.838 -9.011 567 1HG ARG 75 1HG ARG 75 3.052 -6.183 -7.320 568 2HG ARG 75 2HG ARG 75 2.150 -4.765 -6.782 569 1HD ARG 75 1HD ARG 75 0.907 -6.315 -8.325 570 2HD ARG 75 2HD ARG 75 0.973 -4.627 -8.837 571 HE ARG 75 HE ARG 75 2.936 -6.507 -9.924 572 1HH1 ARG 75 1HH1 ARG 75 0.133 -4.486 -10.386 573 2HH1 ARG 75 2HH1 ARG 75 0.226 -4.533 -12.115 574 1HH2 ARG 75 1HH2 ARG 75 3.068 -6.567 -12.197 575 2HH2 ARG 75 2HH2 ARG 75 1.895 -5.714 -13.144 576 H SER 76 H SER 76 3.734 -4.368 -4.865 577 HA SER 76 HA SER 76 2.421 -1.918 -4.501 578 1HB SER 76 1HB SER 76 3.362 -3.884 -2.407 579 2HB SER 76 2HB SER 76 2.163 -2.616 -2.159 580 HG SER 76 HG SER 76 1.618 -4.996 -2.858 581 H LEU 77 H LEU 77 5.709 -2.888 -3.790 582 HA LEU 77 HA LEU 77 6.440 -0.966 -1.923 583 1HB LEU 77 1HB LEU 77 7.929 -2.414 -4.069 584 2HB LEU 77 2HB LEU 77 8.732 -1.134 -3.181 585 HG LEU 77 HG LEU 77 8.078 -2.410 -1.065 586 1HD1 LEU 77 1HD1 LEU 77 6.417 -3.874 -2.137 587 2HD1 LEU 77 2HD1 LEU 77 7.685 -4.784 -1.315 588 3HD1 LEU 77 3HD1 LEU 77 7.709 -4.629 -3.072 589 1HD2 LEU 77 1HD2 LEU 77 10.014 -3.644 -3.012 590 2HD2 LEU 77 2HD2 LEU 77 10.021 -3.860 -1.262 591 3HD2 LEU 77 3HD2 LEU 77 10.342 -2.271 -1.956 592 H GLU 78 H GLU 78 7.036 -0.742 -5.437 593 HA GLU 78 HA GLU 78 7.753 1.965 -5.417 594 1HB GLU 78 1HB GLU 78 7.247 1.884 -7.871 595 2HB GLU 78 2HB GLU 78 8.327 0.616 -7.309 596 1HG GLU 78 1HG GLU 78 6.640 -1.022 -7.447 597 2HG GLU 78 2HG GLU 78 5.376 0.191 -7.632 598 H GLN 79 H GLN 79 4.687 0.414 -5.318 599 HA GLN 79 HA GLN 79 3.111 2.583 -6.282 600 1HB GLN 79 1HB GLN 79 2.455 0.138 -4.647 601 2HB GLN 79 2HB GLN 79 1.238 1.318 -5.112 602 1HG GLN 79 1HG GLN 79 1.430 0.802 -7.376 603 2HG GLN 79 2HG GLN 79 2.985 0.002 -7.155 604 1HE2 GLN 79 1HE2 GLN 79 0.294 -0.521 -5.001 605 2HE2 GLN 79 2HE2 GLN 79 -0.029 -2.148 -5.485 606 H ILE 80 H ILE 80 4.580 1.848 -3.240 607 HA ILE 80 HA ILE 80 2.844 3.571 -1.720 608 HB ILE 80 HB ILE 80 5.411 2.188 -0.955 609 1HG1 ILE 80 1HG1 ILE 80 2.545 1.650 -0.152 610 2HG1 ILE 80 2HG1 ILE 80 3.422 0.751 -1.384 611 1HG2 ILE 80 1HG2 ILE 80 3.502 3.743 0.792 612 2HG2 ILE 80 2HG2 ILE 80 5.129 4.249 0.341 613 3HG2 ILE 80 3HG2 ILE 80 4.899 2.822 1.349 614 1HD1 ILE 80 1HD1 ILE 80 4.254 0.935 1.500 615 2HD1 ILE 80 2HD1 ILE 80 4.962 -0.087 0.248 616 3HD1 ILE 80 3HD1 ILE 80 3.315 -0.387 0.806 617 H GLY 81 H GLY 81 6.376 3.703 -2.412 618 1HA GLY 81 1HA GLY 81 6.393 6.365 -3.249 619 2HA GLY 81 2HA GLY 81 6.614 6.379 -1.506 620 H GLY 82 H GLY 82 8.666 6.838 -1.124 621 1HA GLY 82 1HA GLY 82 10.701 5.152 -2.401 622 2HA GLY 82 2HA GLY 82 10.873 6.895 -2.484 623 H GLU 83 H GLU 83 10.872 8.033 -0.323 624 HA GLU 83 HA GLU 83 12.979 7.045 1.237 625 1HB GLU 83 1HB GLU 83 12.312 9.445 0.992 626 2HB GLU 83 2HB GLU 83 10.956 9.128 2.066 627 1HG GLU 83 1HG GLU 83 12.506 8.508 3.847 628 2HG GLU 83 2HG GLU 83 13.867 8.822 2.770 629 H ARG 84 H ARG 84 9.569 6.518 1.492 630 HA ARG 84 HA ARG 84 9.730 5.612 4.235 631 1HB ARG 84 1HB ARG 84 7.323 5.195 4.060 632 2HB ARG 84 2HB ARG 84 7.731 6.829 3.569 633 1HG ARG 84 1HG ARG 84 7.387 4.652 1.540 634 2HG ARG 84 2HG ARG 84 6.000 5.516 2.198 635 1HD ARG 84 1HD ARG 84 8.251 6.559 0.513 636 2HD ARG 84 2HD ARG 84 6.514 6.688 0.255 637 HE ARG 84 HE ARG 84 7.686 8.085 2.541 638 1HH1 ARG 84 1HH1 ARG 84 6.220 8.201 -0.619 639 2HH1 ARG 84 2HH1 ARG 84 5.888 9.900 -0.542 640 1HH2 ARG 84 1HH2 ARG 84 7.253 10.318 2.651 641 2HH2 ARG 84 2HH2 ARG 84 6.475 11.104 1.317 642 H VAL 85 H VAL 85 8.956 4.183 1.070 643 HA VAL 85 HA VAL 85 8.841 1.520 2.077 644 HB VAL 85 HB VAL 85 9.534 1.852 -0.765 645 1HG1 VAL 85 1HG1 VAL 85 8.834 -0.284 0.152 646 2HG1 VAL 85 2HG1 VAL 85 7.675 0.290 -1.045 647 3HG1 VAL 85 3HG1 VAL 85 7.305 0.424 0.673 648 1HG2 VAL 85 1HG2 VAL 85 8.269 3.840 -0.637 649 2HG2 VAL 85 2HG2 VAL 85 7.067 3.094 0.415 650 3HG2 VAL 85 3HG2 VAL 85 7.177 2.610 -1.278 651 H ARG 86 H ARG 86 11.375 3.630 1.144 652 HA ARG 86 HA ARG 86 13.370 1.962 0.242 653 1HB ARG 86 1HB ARG 86 13.659 4.386 0.427 654 2HB ARG 86 2HB ARG 86 13.665 4.265 2.181 655 1HG ARG 86 1HG ARG 86 15.716 2.914 2.060 656 2HG ARG 86 2HG ARG 86 15.717 3.105 0.307 657 1HD ARG 86 1HD ARG 86 15.998 5.481 0.510 658 2HD ARG 86 2HD ARG 86 15.799 5.399 2.260 659 HE ARG 86 HE ARG 86 17.927 3.777 1.755 660 1HH1 ARG 86 1HH1 ARG 86 17.162 7.091 1.003 661 2HH1 ARG 86 2HH1 ARG 86 18.812 7.613 1.031 662 1HH2 ARG 86 1HH2 ARG 86 20.103 4.457 1.797 663 2HH2 ARG 86 2HH2 ARG 86 20.484 6.117 1.481 664 H ALA 87 H ALA 87 12.064 2.246 3.456 665 HA ALA 87 HA ALA 87 14.161 0.744 4.727 666 1HB ALA 87 1HB ALA 87 12.718 2.442 5.891 667 2HB ALA 87 2HB ALA 87 12.855 0.889 6.714 668 3HB ALA 87 3HB ALA 87 11.396 1.278 5.803 669 H ALA 88 H ALA 88 11.063 0.106 3.268 670 HA ALA 88 HA ALA 88 10.731 -2.542 4.221 671 1HB ALA 88 1HB ALA 88 9.580 -1.238 1.755 672 2HB ALA 88 2HB ALA 88 8.863 -1.214 3.366 673 3HB ALA 88 3HB ALA 88 9.019 -2.739 2.492 674 H MET 89 H MET 89 11.890 -1.260 1.088 675 HA MET 89 HA MET 89 12.514 -3.790 0.015 676 1HB MET 89 1HB MET 89 13.783 -2.595 -1.689 677 2HB MET 89 2HB MET 89 12.232 -1.825 -1.412 678 1HG MET 89 1HG MET 89 13.810 -0.111 -1.672 679 2HG MET 89 2HG MET 89 13.425 -0.172 0.048 680 1HE MET 89 1HE MET 89 15.967 -1.043 -2.745 681 2HE MET 89 2HE MET 89 15.843 -2.624 -1.973 682 3HE MET 89 3HE MET 89 17.341 -1.701 -1.857 683 H GLU 90 H GLU 90 14.183 -1.708 2.216 684 HA GLU 90 HA GLU 90 16.780 -2.821 1.864 685 1HB GLU 90 1HB GLU 90 15.469 -1.072 3.892 686 2HB GLU 90 2HB GLU 90 16.952 -1.893 4.357 687 1HG GLU 90 1HG GLU 90 18.094 -0.900 2.429 688 2HG GLU 90 2HG GLU 90 16.609 -0.050 2.003 689 H LYS 91 H LYS 91 14.028 -3.530 3.931 690 HA LYS 91 HA LYS 91 15.339 -5.514 5.497 691 1HB LYS 91 1HB LYS 91 12.408 -5.023 4.941 692 2HB LYS 91 2HB LYS 91 13.001 -6.211 6.095 693 1HG LYS 91 1HG LYS 91 13.645 -3.278 6.256 694 2HG LYS 91 2HG LYS 91 12.280 -4.031 7.084 695 1HD LYS 91 1HD LYS 91 13.800 -5.482 8.310 696 2HD LYS 91 2HD LYS 91 15.178 -4.804 7.440 697 1HE LYS 91 1HE LYS 91 13.320 -3.264 9.250 698 2HE LYS 91 2HE LYS 91 14.925 -3.844 9.692 699 1HZ LYS 91 1HZ LYS 91 14.282 -1.851 7.587 700 2HZ LYS 91 2HZ LYS 91 15.828 -2.470 7.878 701 3HZ LYS 91 3HZ LYS 91 15.051 -1.549 9.064 702 H LEU 92 H LEU 92 13.770 -5.530 2.381 703 HA LEU 92 HA LEU 92 13.705 -8.422 2.255 704 1HB LEU 92 1HB LEU 92 11.889 -7.691 1.106 705 2HB LEU 92 2HB LEU 92 12.634 -6.162 0.684 706 HG LEU 92 HG LEU 92 13.986 -7.413 -1.024 707 1HD1 LEU 92 1HD1 LEU 92 11.959 -9.587 -0.497 708 2HD1 LEU 92 2HD1 LEU 92 13.658 -9.659 -0.029 709 3HD1 LEU 92 3HD1 LEU 92 13.216 -9.592 -1.735 710 1HD2 LEU 92 1HD2 LEU 92 11.958 -6.061 -1.522 711 2HD2 LEU 92 2HD2 LEU 92 10.996 -7.534 -1.398 712 3HD2 LEU 92 3HD2 LEU 92 12.222 -7.383 -2.655 713 H ALA 93 H ALA 93 15.686 -5.756 1.264 714 HA ALA 93 HA ALA 93 17.152 -6.960 -0.808 715 1HB ALA 93 1HB ALA 93 18.684 -5.179 -0.585 716 2HB ALA 93 2HB ALA 93 18.262 -4.925 1.109 717 3HB ALA 93 3HB ALA 93 17.108 -4.513 -0.159 718 H GLU 94 H GLU 94 17.425 -7.180 2.684 719 HA GLU 94 HA GLU 94 20.007 -8.464 2.608 720 1HB GLU 94 1HB GLU 94 19.696 -8.778 5.022 721 2HB GLU 94 2HB GLU 94 19.374 -7.115 4.553 722 1HG GLU 94 1HG GLU 94 16.983 -7.537 4.641 723 2HG GLU 94 2HG GLU 94 17.287 -9.220 5.071 724 H THR 95 H THR 95 16.708 -9.371 2.408 725 HA THR 95 HA THR 95 17.401 -12.222 2.674 726 HB THR 95 HB THR 95 14.942 -12.603 2.859 727 HG1 THR 95 HG1 THR 95 13.599 -10.785 3.138 728 1HG2 THR 95 1HG2 THR 95 14.676 -11.630 5.132 729 2HG2 THR 95 2HG2 THR 95 16.143 -10.689 4.863 730 3HG2 THR 95 3HG2 THR 95 16.220 -12.451 4.903 731 H GLY 96 H GLY 96 17.567 -10.086 0.448 732 1HA GLY 96 1HA GLY 96 15.808 -10.644 -1.616 733 2HA GLY 96 2HA GLY 96 17.448 -10.055 -1.828 734 H THR 97 H THR 97 15.345 -12.496 -2.486 735 HA THR 97 HA THR 97 17.532 -14.214 -3.411 736 HB THR 97 HB THR 97 15.106 -15.294 -1.962 737 HG1 THR 97 HG1 THR 97 16.755 -14.257 -0.619 738 1HG2 THR 97 1HG2 THR 97 15.932 -16.795 -3.702 739 2HG2 THR 97 2HG2 THR 97 16.293 -17.442 -2.101 740 3HG2 THR 97 3HG2 THR 97 17.565 -16.671 -3.048 741 H GLY 98 H GLY 98 17.251 -14.882 -5.449 742 1HA GLY 98 1HA GLY 98 16.287 -15.212 -7.505 743 2HA GLY 98 2HA GLY 98 14.826 -15.635 -6.626 744 H PHE 99 H PHE 99 13.170 -14.539 -7.406 745 HA PHE 99 HA PHE 99 13.450 -12.043 -8.765 746 1HB PHE 99 1HB PHE 99 11.736 -13.493 -9.538 747 2HB PHE 99 2HB PHE 99 11.077 -13.699 -7.919 748 HD1 PHE 99 HD1 PHE 99 9.377 -12.307 -7.131 749 HD2 PHE 99 HD2 PHE 99 11.522 -11.223 -10.644 750 HE1 PHE 99 HE1 PHE 99 7.765 -10.497 -7.552 751 HE2 PHE 99 HE2 PHE 99 9.913 -9.410 -11.071 752 HZ PHE 99 HZ PHE 99 8.032 -9.046 -9.524 753 H ALA 100 H ALA 100 12.473 -13.020 -5.543 754 HA ALA 100 HA ALA 100 11.197 -10.739 -4.635 755 1HB ALA 100 1HB ALA 100 11.255 -12.756 -3.325 756 2HB ALA 100 2HB ALA 100 11.930 -11.430 -2.378 757 3HB ALA 100 3HB ALA 100 13.002 -12.617 -3.122 758 H ARG 101 H ARG 101 14.635 -11.319 -5.055 759 HA ARG 101 HA ARG 101 15.493 -9.041 -3.564 760 1HB ARG 101 1HB ARG 101 16.930 -11.008 -4.017 761 2HB ARG 101 2HB ARG 101 16.950 -10.568 -5.716 762 1HG ARG 101 1HG ARG 101 18.425 -8.883 -5.407 763 2HG ARG 101 2HG ARG 101 17.799 -8.484 -3.805 764 1HD ARG 101 1HD ARG 101 18.922 -10.383 -2.843 765 2HD ARG 101 2HD ARG 101 19.448 -10.927 -4.436 766 HE ARG 101 HE ARG 101 20.467 -8.396 -4.174 767 1HH1 ARG 101 1HH1 ARG 101 20.697 -11.371 -2.375 768 2HH1 ARG 101 2HH1 ARG 101 22.296 -11.048 -1.795 769 1HH2 ARG 101 1HH2 ARG 101 22.578 -7.965 -3.414 770 2HH2 ARG 101 2HH2 ARG 101 23.364 -9.116 -2.385 771 H LYS 102 H LYS 102 15.413 -9.694 -7.074 772 HA LYS 102 HA LYS 102 16.213 -7.249 -8.034 773 1HB LYS 102 1HB LYS 102 15.773 -9.216 -9.449 774 2HB LYS 102 2HB LYS 102 14.047 -9.020 -9.185 775 1HG LYS 102 1HG LYS 102 14.230 -6.762 -10.253 776 2HG LYS 102 2HG LYS 102 15.893 -7.173 -10.675 777 1HD LYS 102 1HD LYS 102 14.595 -7.691 -12.580 778 2HD LYS 102 2HD LYS 102 14.954 -9.235 -11.806 779 1HE LYS 102 1HE LYS 102 12.640 -9.203 -12.473 780 2HE LYS 102 2HE LYS 102 12.738 -9.160 -10.713 781 1HZ LYS 102 1HZ LYS 102 11.095 -7.598 -11.615 782 2HZ LYS 102 2HZ LYS 102 12.324 -6.781 -12.442 783 3HZ LYS 102 3HZ LYS 102 12.316 -6.806 -10.750 784 H VAL 103 H VAL 103 13.295 -8.058 -6.432 785 HA VAL 103 HA VAL 103 11.630 -5.971 -7.351 786 HB VAL 103 HB VAL 103 11.623 -7.686 -4.882 787 1HG1 VAL 103 1HG1 VAL 103 10.615 -5.642 -4.154 788 2HG1 VAL 103 2HG1 VAL 103 9.313 -6.788 -4.475 789 3HG1 VAL 103 3HG1 VAL 103 9.672 -5.511 -5.637 790 1HG2 VAL 103 1HG2 VAL 103 9.627 -8.650 -5.948 791 2HG2 VAL 103 2HG2 VAL 103 11.062 -8.790 -6.963 792 3HG2 VAL 103 3HG2 VAL 103 9.848 -7.562 -7.317 793 H ALA 104 H ALA 104 13.485 -6.291 -4.318 794 HA ALA 104 HA ALA 104 12.908 -3.738 -3.312 795 1HB ALA 104 1HB ALA 104 15.201 -5.611 -2.779 796 2HB ALA 104 2HB ALA 104 13.724 -5.412 -1.837 797 3HB ALA 104 3HB ALA 104 14.923 -4.123 -1.875 798 H VAL 105 H VAL 105 15.890 -4.875 -4.858 799 HA VAL 105 HA VAL 105 17.217 -2.430 -4.873 800 HB VAL 105 HB VAL 105 18.463 -4.445 -5.170 801 1HG1 VAL 105 1HG1 VAL 105 16.688 -5.694 -6.391 802 2HG1 VAL 105 2HG1 VAL 105 18.304 -5.891 -7.065 803 3HG1 VAL 105 3HG1 VAL 105 17.146 -4.821 -7.852 804 1HG2 VAL 105 1HG2 VAL 105 19.443 -2.463 -6.151 805 2HG2 VAL 105 2HG2 VAL 105 18.577 -2.749 -7.660 806 3HG2 VAL 105 3HG2 VAL 105 19.831 -3.874 -7.136 807 H ASN 106 H ASN 106 15.619 -4.000 -7.678 808 HA ASN 106 HA ASN 106 16.017 -1.903 -9.470 809 1HB ASN 106 1HB ASN 106 15.196 -4.254 -9.985 810 2HB ASN 106 2HB ASN 106 13.596 -3.703 -9.501 811 1HD2 ASN 106 1HD2 ASN 106 12.526 -2.166 -10.765 812 2HD2 ASN 106 2HD2 ASN 106 12.984 -1.862 -12.402 813 H TYR 107 H TYR 107 13.640 -2.290 -6.960 814 HA TYR 107 HA TYR 107 11.712 -0.449 -7.824 815 1HB TYR 107 1HB TYR 107 10.905 -1.620 -6.029 816 2HB TYR 107 2HB TYR 107 12.473 -1.689 -5.235 817 HD1 TYR 107 HD1 TYR 107 12.711 -0.519 -3.289 818 HD2 TYR 107 HD2 TYR 107 9.896 0.871 -6.149 819 HE1 TYR 107 HE1 TYR 107 12.064 1.287 -1.756 820 HE2 TYR 107 HE2 TYR 107 9.233 2.680 -4.623 821 HH TYR 107 HH TYR 107 9.291 3.195 -2.247 822 H LEU 108 H LEU 108 14.762 -0.056 -6.175 823 HA LEU 108 HA LEU 108 14.578 2.528 -5.231 824 1HB LEU 108 1HB LEU 108 16.922 1.039 -6.394 825 2HB LEU 108 2HB LEU 108 17.068 2.593 -5.609 826 HG LEU 108 HG LEU 108 16.017 0.104 -4.274 827 1HD1 LEU 108 1HD1 LEU 108 18.145 0.026 -3.112 828 2HD1 LEU 108 2HD1 LEU 108 18.710 1.432 -4.013 829 3HD1 LEU 108 3HD1 LEU 108 18.394 -0.085 -4.854 830 1HD2 LEU 108 1HD2 LEU 108 16.241 1.386 -2.216 831 2HD2 LEU 108 2HD2 LEU 108 15.138 2.190 -3.333 832 3HD2 LEU 108 3HD2 LEU 108 16.783 2.791 -3.135 833 H GLU 109 H GLU 109 14.472 1.513 -8.469 834 HA GLU 109 HA GLU 109 15.587 3.905 -9.617 835 1HB GLU 109 1HB GLU 109 13.977 1.689 -10.893 836 2HB GLU 109 2HB GLU 109 14.812 2.970 -11.763 837 1HG GLU 109 1HG GLU 109 16.945 2.165 -10.767 838 2HG GLU 109 2HG GLU 109 16.054 0.803 -10.087 839 H THR 110 H THR 110 12.881 3.613 -7.906 840 HA THR 110 HA THR 110 11.393 5.504 -9.615 841 HB THR 110 HB THR 110 9.337 4.719 -8.302 842 HG1 THR 110 HG1 THR 110 9.847 2.295 -7.821 843 1HG2 THR 110 1HG2 THR 110 10.716 2.878 -10.260 844 2HG2 THR 110 2HG2 THR 110 9.601 4.189 -10.641 845 3HG2 THR 110 3HG2 THR 110 9.018 2.754 -9.798 846 H HIS 111 H HIS 111 11.443 4.448 -6.219 847 HA HIS 111 HA HIS 111 11.105 5.593 -4.292 848 1HB HIS 111 1HB HIS 111 12.774 7.381 -3.870 849 2HB HIS 111 2HB HIS 111 13.474 5.909 -4.524 850 HD1 HIS 111 HD1 HIS 111 12.885 9.506 -5.321 851 HD2 HIS 111 HD2 HIS 111 14.616 6.164 -7.079 852 HE1 HIS 111 HE1 HIS 111 14.203 10.382 -7.274 853 HE2 HIS 111 HE2 HIS 111 15.270 8.345 -8.304 Start of MODEL 7 1 H MET 1 H MET 1 -12.858 15.753 0.287 2 HA MET 1 HA MET 1 -14.838 15.749 1.612 3 1HB MET 1 1HB MET 1 -13.877 17.905 0.833 4 2HB MET 1 2HB MET 1 -14.968 17.867 -0.545 5 1HG MET 1 1HG MET 1 -16.883 17.978 0.949 6 2HG MET 1 2HG MET 1 -15.806 17.972 2.344 7 1HE MET 1 1HE MET 1 -17.163 21.638 2.366 8 2HE MET 1 2HE MET 1 -17.011 20.127 3.261 9 3HE MET 1 3HE MET 1 -18.074 20.216 1.857 10 H ALA 2 H ALA 2 -17.062 15.591 1.817 11 HA ALA 2 HA ALA 2 -19.151 14.826 1.343 12 1HB ALA 2 1HB ALA 2 -19.219 16.876 -0.017 13 2HB ALA 2 2HB ALA 2 -20.196 15.581 -0.708 14 3HB ALA 2 3HB ALA 2 -18.619 15.960 -1.400 15 H ASP 3 H ASP 3 -16.669 13.205 0.670 16 HA ASP 3 HA ASP 3 -18.048 10.932 -0.371 17 1HB ASP 3 1HB ASP 3 -17.560 12.188 -2.472 18 2HB ASP 3 2HB ASP 3 -15.843 12.081 -2.095 19 H GLU 4 H GLU 4 -15.515 12.454 1.206 20 HA GLU 4 HA GLU 4 -13.731 10.169 1.255 21 1HB GLU 4 1HB GLU 4 -12.786 12.423 1.248 22 2HB GLU 4 2HB GLU 4 -13.629 12.800 2.744 23 1HG GLU 4 1HG GLU 4 -11.259 12.308 3.104 24 2HG GLU 4 2HG GLU 4 -12.315 11.171 3.941 25 H ASN 5 H ASN 5 -15.668 11.980 3.644 26 HA ASN 5 HA ASN 5 -15.426 9.711 5.484 27 1HB ASN 5 1HB ASN 5 -16.490 12.499 5.980 28 2HB ASN 5 2HB ASN 5 -16.298 11.242 7.199 29 1HD2 ASN 5 1HD2 ASN 5 -14.234 10.665 7.877 30 2HD2 ASN 5 2HD2 ASN 5 -12.861 11.674 7.593 31 H LYS 6 H LYS 6 -17.262 10.130 3.027 32 HA LYS 6 HA LYS 6 -19.920 10.321 3.809 33 1HB LYS 6 1HB LYS 6 -19.160 10.283 1.461 34 2HB LYS 6 2HB LYS 6 -18.762 8.579 1.623 35 1HG LYS 6 1HG LYS 6 -20.855 8.774 0.489 36 2HG LYS 6 2HG LYS 6 -21.151 8.117 2.100 37 1HD LYS 6 1HD LYS 6 -21.773 10.376 2.874 38 2HD LYS 6 2HD LYS 6 -21.542 10.981 1.233 39 1HE LYS 6 1HE LYS 6 -23.895 10.567 1.664 40 2HE LYS 6 2HE LYS 6 -23.288 9.463 0.432 41 1HZ LYS 6 1HZ LYS 6 -23.712 8.814 3.298 42 2HZ LYS 6 2HZ LYS 6 -23.084 7.753 2.143 43 3HZ LYS 6 3HZ LYS 6 -24.679 8.299 2.008 44 H TRP 7 H TRP 7 -17.639 7.797 4.285 45 HA TRP 7 HA TRP 7 -19.450 6.354 5.980 46 1HB TRP 7 1HB TRP 7 -18.762 4.175 4.594 47 2HB TRP 7 2HB TRP 7 -20.224 5.089 4.241 48 HD1 TRP 7 HD1 TRP 7 -16.523 5.479 3.073 49 HE1 TRP 7 HE1 TRP 7 -16.542 5.782 0.518 50 HE3 TRP 7 HE3 TRP 7 -21.560 5.166 2.256 51 HZ2 TRP 7 HZ2 TRP 7 -18.443 5.875 -1.569 52 HZ3 TRP 7 HZ3 TRP 7 -22.397 5.372 -0.047 53 HH2 TRP 7 HH2 TRP 7 -20.868 5.720 -1.920 54 H VAL 8 H VAL 8 -18.371 5.208 7.520 55 HA VAL 8 HA VAL 8 -15.455 4.958 7.198 56 HB VAL 8 HB VAL 8 -16.896 5.800 9.720 57 1HG1 VAL 8 1HG1 VAL 8 -13.964 5.362 9.165 58 2HG1 VAL 8 2HG1 VAL 8 -14.983 4.433 10.264 59 3HG1 VAL 8 3HG1 VAL 8 -14.610 6.120 10.619 60 1HG2 VAL 8 1HG2 VAL 8 -16.722 7.530 7.924 61 2HG2 VAL 8 2HG2 VAL 8 -14.968 7.385 8.033 62 3HG2 VAL 8 3HG2 VAL 8 -15.895 7.946 9.424 63 H ARG 9 H ARG 9 -18.435 3.625 8.408 64 HA ARG 9 HA ARG 9 -17.087 1.065 8.760 65 1HB ARG 9 1HB ARG 9 -18.358 0.672 10.895 66 2HB ARG 9 2HB ARG 9 -17.072 1.866 11.005 67 1HG ARG 9 1HG ARG 9 -18.737 2.939 12.139 68 2HG ARG 9 2HG ARG 9 -19.017 3.553 10.508 69 1HD ARG 9 1HD ARG 9 -21.115 2.893 11.517 70 2HD ARG 9 2HD ARG 9 -20.731 1.818 10.174 71 HE ARG 9 HE ARG 9 -19.886 0.876 12.772 72 1HH1 ARG 9 1HH1 ARG 9 -22.406 0.894 10.364 73 2HH1 ARG 9 2HH1 ARG 9 -23.148 -0.558 10.946 74 1HH2 ARG 9 1HH2 ARG 9 -20.859 -1.034 13.543 75 2HH2 ARG 9 2HH2 ARG 9 -22.271 -1.655 12.755 76 H ARG 10 H ARG 10 -19.497 2.784 7.415 77 HA ARG 10 HA ARG 10 -21.443 0.601 7.436 78 1HB ARG 10 1HB ARG 10 -22.277 2.914 7.712 79 2HB ARG 10 2HB ARG 10 -21.586 3.345 6.155 80 1HG ARG 10 1HG ARG 10 -23.088 1.793 5.037 81 2HG ARG 10 2HG ARG 10 -23.763 1.310 6.595 82 1HD ARG 10 1HD ARG 10 -24.426 3.700 6.945 83 2HD ARG 10 2HD ARG 10 -23.926 4.018 5.286 84 HE ARG 10 HE ARG 10 -25.654 2.011 4.947 85 1HH1 ARG 10 1HH1 ARG 10 -25.879 4.941 6.820 86 2HH1 ARG 10 2HH1 ARG 10 -27.598 5.071 6.647 87 1HH2 ARG 10 1HH2 ARG 10 -27.916 2.175 4.717 88 2HH2 ARG 10 2HH2 ARG 10 -28.755 3.499 5.452 89 H ASP 11 H ASP 11 -22.062 -0.476 5.554 90 HA ASP 11 HA ASP 11 -21.906 -1.303 3.428 91 1HB ASP 11 1HB ASP 11 -21.568 1.095 2.724 92 2HB ASP 11 2HB ASP 11 -19.833 0.816 2.858 93 H VAL 12 H VAL 12 -18.889 -0.424 5.049 94 HA VAL 12 HA VAL 12 -17.139 -2.128 3.748 95 HB VAL 12 HB VAL 12 -16.328 -0.498 5.344 96 1HG1 VAL 12 1HG1 VAL 12 -18.171 -0.657 6.958 97 2HG1 VAL 12 2HG1 VAL 12 -16.591 -0.750 7.734 98 3HG1 VAL 12 3HG1 VAL 12 -17.547 -2.214 7.501 99 1HG2 VAL 12 1HG2 VAL 12 -14.688 -1.865 6.531 100 2HG2 VAL 12 2HG2 VAL 12 -14.917 -2.437 4.879 101 3HG2 VAL 12 3HG2 VAL 12 -15.658 -3.305 6.223 102 H SER 13 H SER 13 -17.341 -4.209 3.388 103 HA SER 13 HA SER 13 -17.552 -6.122 5.462 104 1HB SER 13 1HB SER 13 -19.934 -5.373 5.362 105 2HB SER 13 2HB SER 13 -19.987 -5.885 3.673 106 HG SER 13 HG SER 13 -19.827 -7.440 6.002 107 H THR 14 H THR 14 -17.957 -5.366 2.061 108 HA THR 14 HA THR 14 -16.182 -7.558 1.343 109 HB THR 14 HB THR 14 -17.712 -8.204 -0.564 110 HG1 THR 14 HG1 THR 14 -19.265 -6.308 0.686 111 1HG2 THR 14 1HG2 THR 14 -18.660 -8.733 2.254 112 2HG2 THR 14 2HG2 THR 14 -17.460 -9.662 1.355 113 3HG2 THR 14 3HG2 THR 14 -19.145 -9.658 0.833 114 H ALA 15 H ALA 15 -16.768 -4.457 1.284 115 HA ALA 15 HA ALA 15 -16.292 -3.886 -1.525 116 1HB ALA 15 1HB ALA 15 -16.601 -1.583 -0.946 117 2HB ALA 15 2HB ALA 15 -16.475 -1.950 0.776 118 3HB ALA 15 3HB ALA 15 -17.862 -2.526 -0.150 119 H LEU 16 H LEU 16 -14.398 -4.810 0.982 120 HA LEU 16 HA LEU 16 -12.276 -3.104 1.201 121 1HB LEU 16 1HB LEU 16 -10.915 -4.966 1.833 122 2HB LEU 16 2HB LEU 16 -12.530 -5.212 2.455 123 HG LEU 16 HG LEU 16 -11.878 -7.326 1.742 124 1HD1 LEU 16 1HD1 LEU 16 -13.373 -6.169 -0.598 125 2HD1 LEU 16 2HD1 LEU 16 -14.082 -6.797 0.890 126 3HD1 LEU 16 3HD1 LEU 16 -13.228 -7.883 -0.207 127 1HD2 LEU 16 1HD2 LEU 16 -10.841 -6.174 -0.839 128 2HD2 LEU 16 2HD2 LEU 16 -10.733 -7.850 -0.303 129 3HD2 LEU 16 3HD2 LEU 16 -9.846 -6.592 0.556 130 H SER 17 H SER 17 -13.186 -4.871 -1.612 131 HA SER 17 HA SER 17 -10.853 -5.194 -3.011 132 1HB SER 17 1HB SER 17 -13.491 -4.174 -4.100 133 2HB SER 17 2HB SER 17 -12.185 -4.857 -5.068 134 HG SER 17 HG SER 17 -14.031 -6.267 -4.293 135 H ARG 18 H ARG 18 -12.629 -2.224 -2.418 136 HA ARG 18 HA ARG 18 -10.376 -0.570 -2.651 137 1HB ARG 18 1HB ARG 18 -10.851 -1.213 -5.106 138 2HB ARG 18 2HB ARG 18 -12.257 -0.168 -4.969 139 1HG ARG 18 1HG ARG 18 -9.454 0.758 -4.391 140 2HG ARG 18 2HG ARG 18 -10.212 0.878 -5.979 141 1HD ARG 18 1HD ARG 18 -11.154 2.164 -3.419 142 2HD ARG 18 2HD ARG 18 -10.439 2.979 -4.810 143 HE ARG 18 HE ARG 18 -12.708 1.578 -5.665 144 1HH1 ARG 18 1HH1 ARG 18 -11.871 4.312 -3.673 145 2HH1 ARG 18 2HH1 ARG 18 -13.360 5.146 -3.967 146 1HH2 ARG 18 1HH2 ARG 18 -14.669 2.666 -6.059 147 2HH2 ARG 18 2HH2 ARG 18 -14.952 4.208 -5.325 148 H MET 19 H MET 19 -11.153 0.343 -0.780 149 HA MET 19 HA MET 19 -13.511 2.062 -1.112 150 1HB MET 19 1HB MET 19 -13.055 -0.023 0.931 151 2HB MET 19 2HB MET 19 -13.680 1.509 1.526 152 1HG MET 19 1HG MET 19 -14.916 -0.182 -0.633 153 2HG MET 19 2HG MET 19 -15.470 -0.061 1.036 154 1HE MET 19 1HE MET 19 -17.924 0.512 0.147 155 2HE MET 19 2HE MET 19 -17.349 0.404 -1.517 156 3HE MET 19 3HE MET 19 -18.266 1.816 -0.992 157 H GLY 20 H GLY 20 -10.583 1.393 0.781 158 1HA GLY 20 1HA GLY 20 -9.181 3.582 0.726 159 2HA GLY 20 2HA GLY 20 -10.551 4.205 1.630 160 H ASP 21 H ASP 21 -10.269 4.264 3.736 161 HA ASP 21 HA ASP 21 -8.263 2.502 4.949 162 1HB ASP 21 1HB ASP 21 -9.552 4.967 6.132 163 2HB ASP 21 2HB ASP 21 -8.155 4.097 6.761 164 H GLU 22 H GLU 22 -11.651 3.182 4.900 165 HA GLU 22 HA GLU 22 -12.386 2.135 7.407 166 1HB GLU 22 1HB GLU 22 -14.639 1.916 6.449 167 2HB GLU 22 2HB GLU 22 -13.919 3.474 6.068 168 1HG GLU 22 1HG GLU 22 -13.475 2.809 3.827 169 2HG GLU 22 2HG GLU 22 -13.907 1.136 4.181 170 H ALA 23 H ALA 23 -12.017 0.606 4.237 171 HA ALA 23 HA ALA 23 -12.622 -2.005 5.409 172 1HB ALA 23 1HB ALA 23 -13.723 -1.331 3.296 173 2HB ALA 23 2HB ALA 23 -12.787 -2.818 3.153 174 3HB ALA 23 3HB ALA 23 -12.139 -1.306 2.518 175 H PHE 24 H PHE 24 -10.045 -0.300 5.610 176 HA PHE 24 HA PHE 24 -7.977 -1.673 4.283 177 1HB PHE 24 1HB PHE 24 -8.021 0.611 5.600 178 2HB PHE 24 2HB PHE 24 -7.522 -0.406 6.950 179 HD1 PHE 24 HD1 PHE 24 -5.537 -2.024 6.441 180 HD2 PHE 24 HD2 PHE 24 -6.415 1.497 4.227 181 HE1 PHE 24 HE1 PHE 24 -3.223 -1.963 5.634 182 HE2 PHE 24 HE2 PHE 24 -4.097 1.569 3.414 183 HZ PHE 24 HZ PHE 24 -2.494 -0.162 4.115 184 H GLU 25 H GLU 25 -9.349 -2.020 7.520 185 HA GLU 25 HA GLU 25 -7.623 -4.041 8.407 186 1HB GLU 25 1HB GLU 25 -10.335 -3.125 9.251 187 2HB GLU 25 2HB GLU 25 -9.623 -4.575 9.937 188 1HG GLU 25 1HG GLU 25 -8.327 -1.862 9.963 189 2HG GLU 25 2HG GLU 25 -9.256 -2.540 11.299 190 HA PRO 26 HA PRO 26 -11.129 -7.250 7.208 191 1HB PRO 26 1HB PRO 26 -12.561 -6.396 4.977 192 2HB PRO 26 2HB PRO 26 -13.172 -6.429 6.631 193 1HG PRO 26 1HG PRO 26 -12.089 -4.149 5.053 194 2HG PRO 26 2HG PRO 26 -13.394 -4.170 6.252 195 1HD PRO 26 1HD PRO 26 -10.946 -3.203 6.823 196 2HD PRO 26 2HD PRO 26 -11.927 -4.049 8.036 197 H LEU 27 H LEU 27 -9.248 -5.164 5.341 198 HA LEU 27 HA LEU 27 -8.800 -6.965 3.130 199 1HB LEU 27 1HB LEU 27 -8.679 -4.825 2.355 200 2HB LEU 27 2HB LEU 27 -8.169 -4.191 3.912 201 HG LEU 27 HG LEU 27 -5.884 -5.044 3.459 202 1HD1 LEU 27 1HD1 LEU 27 -6.426 -6.829 1.904 203 2HD1 LEU 27 2HD1 LEU 27 -5.305 -5.689 1.162 204 3HD1 LEU 27 3HD1 LEU 27 -7.014 -5.652 0.729 205 1HD2 LEU 27 1HD2 LEU 27 -6.446 -2.724 3.005 206 2HD2 LEU 27 2HD2 LEU 27 -7.022 -3.161 1.397 207 3HD2 LEU 27 3HD2 LEU 27 -5.313 -3.329 1.796 208 H LEU 28 H LEU 28 -7.171 -5.729 5.991 209 HA LEU 28 HA LEU 28 -4.725 -7.156 5.574 210 1HB LEU 28 1HB LEU 28 -4.607 -5.153 6.844 211 2HB LEU 28 2HB LEU 28 -5.912 -5.656 7.900 212 HG LEU 28 HG LEU 28 -4.431 -7.405 8.848 213 1HD1 LEU 28 1HD1 LEU 28 -2.953 -7.650 6.896 214 2HD1 LEU 28 2HD1 LEU 28 -2.058 -7.367 8.389 215 3HD1 LEU 28 3HD1 LEU 28 -2.276 -6.057 7.228 216 1HD2 LEU 28 1HD2 LEU 28 -3.030 -5.874 10.143 217 2HD2 LEU 28 2HD2 LEU 28 -4.669 -5.251 9.955 218 3HD2 LEU 28 3HD2 LEU 28 -3.357 -4.591 8.978 219 H GLU 29 H GLU 29 -7.799 -7.872 6.929 220 HA GLU 29 HA GLU 29 -7.033 -9.947 8.702 221 1HB GLU 29 1HB GLU 29 -9.199 -8.827 8.886 222 2HB GLU 29 2HB GLU 29 -9.672 -9.449 7.312 223 1HG GLU 29 1HG GLU 29 -9.604 -11.719 8.163 224 2HG GLU 29 2HG GLU 29 -9.067 -11.129 9.735 225 H SER 30 H SER 30 -7.656 -9.765 5.283 226 HA SER 30 HA SER 30 -8.061 -12.506 4.760 227 1HB SER 30 1HB SER 30 -7.057 -10.256 3.008 228 2HB SER 30 2HB SER 30 -7.398 -11.880 2.407 229 HG SER 30 HG SER 30 -9.445 -11.426 2.434 230 H LEU 31 H LEU 31 -5.184 -10.621 5.293 231 HA LEU 31 HA LEU 31 -3.319 -12.375 4.098 232 1HB LEU 31 1HB LEU 31 -3.096 -10.275 6.232 233 2HB LEU 31 2HB LEU 31 -1.716 -11.250 5.771 234 HG LEU 31 HG LEU 31 -3.271 -9.447 3.913 235 1HD1 LEU 31 1HD1 LEU 31 -1.938 -8.258 5.625 236 2HD1 LEU 31 2HD1 LEU 31 -1.365 -7.988 3.980 237 3HD1 LEU 31 3HD1 LEU 31 -0.503 -9.100 5.045 238 1HD2 LEU 31 1HD2 LEU 31 -1.347 -9.873 2.388 239 2HD2 LEU 31 2HD2 LEU 31 -2.358 -11.287 2.679 240 3HD2 LEU 31 3HD2 LEU 31 -0.805 -11.129 3.499 241 H SER 32 H SER 32 -5.261 -12.772 6.811 242 HA SER 32 HA SER 32 -3.400 -14.643 8.093 243 1HB SER 32 1HB SER 32 -6.062 -13.580 9.069 244 2HB SER 32 2HB SER 32 -4.970 -14.617 9.987 245 HG SER 32 HG SER 32 -4.211 -12.085 8.963 246 H ASN 33 H ASN 33 -5.137 -14.953 5.565 247 HA ASN 33 HA ASN 33 -6.872 -17.159 6.311 248 1HB ASN 33 1HB ASN 33 -7.471 -15.395 4.580 249 2HB ASN 33 2HB ASN 33 -6.281 -16.155 3.527 250 1HD2 ASN 33 1HD2 ASN 33 -8.333 -17.847 5.794 251 2HD2 ASN 33 2HD2 ASN 33 -9.273 -18.684 4.611 252 H GLU 34 H GLU 34 -6.610 -19.287 5.655 253 HA GLU 34 HA GLU 34 -3.943 -20.228 5.459 254 1HB GLU 34 1HB GLU 34 -6.569 -21.655 5.009 255 2HB GLU 34 2HB GLU 34 -5.006 -22.454 5.096 256 1HG GLU 34 1HG GLU 34 -6.040 -22.703 7.206 257 2HG GLU 34 2HG GLU 34 -4.749 -21.518 7.396 258 H ASP 35 H ASP 35 -6.377 -19.418 3.122 259 HA ASP 35 HA ASP 35 -5.171 -20.815 0.929 260 1HB ASP 35 1HB ASP 35 -7.595 -20.236 1.033 261 2HB ASP 35 2HB ASP 35 -7.162 -18.539 0.852 262 H TRP 36 H TRP 36 -3.966 -19.969 -0.773 263 HA TRP 36 HA TRP 36 -2.341 -17.672 -0.060 264 1HB TRP 36 1HB TRP 36 -1.105 -18.358 -2.200 265 2HB TRP 36 2HB TRP 36 -1.061 -19.485 -0.847 266 HD1 TRP 36 HD1 TRP 36 -2.828 -19.008 -4.243 267 HE1 TRP 36 HE1 TRP 36 -3.562 -21.324 -5.096 268 HE3 TRP 36 HE3 TRP 36 -1.541 -21.822 -0.175 269 HZ2 TRP 36 HZ2 TRP 36 -3.598 -23.979 -4.171 270 HZ3 TRP 36 HZ3 TRP 36 -1.963 -24.246 -0.240 271 HH2 TRP 36 HH2 TRP 36 -2.972 -25.297 -2.202 272 H ARG 37 H ARG 37 -4.771 -18.563 -2.427 273 HA ARG 37 HA ARG 37 -4.400 -16.407 -4.203 274 1HB ARG 37 1HB ARG 37 -5.929 -18.614 -4.272 275 2HB ARG 37 2HB ARG 37 -7.150 -17.450 -3.779 276 1HG ARG 37 1HG ARG 37 -5.419 -17.219 -6.235 277 2HG ARG 37 2HG ARG 37 -7.089 -17.782 -6.207 278 1HD ARG 37 1HD ARG 37 -7.729 -15.577 -5.218 279 2HD ARG 37 2HD ARG 37 -6.071 -15.039 -5.489 280 HE ARG 37 HE ARG 37 -7.468 -16.057 -7.816 281 1HH1 ARG 37 1HH1 ARG 37 -6.536 -13.274 -5.940 282 2HH1 ARG 37 2HH1 ARG 37 -6.769 -12.157 -7.242 283 1HH2 ARG 37 1HH2 ARG 37 -7.780 -14.591 -9.538 284 2HH2 ARG 37 2HH2 ARG 37 -7.477 -12.904 -9.288 285 H ILE 38 H ILE 38 -6.101 -16.719 -1.168 286 HA ILE 38 HA ILE 38 -7.471 -14.194 -1.418 287 HB ILE 38 HB ILE 38 -7.108 -15.904 1.044 288 1HG1 ILE 38 1HG1 ILE 38 -8.201 -17.150 -0.784 289 2HG1 ILE 38 2HG1 ILE 38 -9.311 -16.838 0.546 290 1HG2 ILE 38 1HG2 ILE 38 -9.043 -13.685 0.404 291 2HG2 ILE 38 2HG2 ILE 38 -7.750 -13.655 1.604 292 3HG2 ILE 38 3HG2 ILE 38 -9.137 -14.722 1.828 293 1HD1 ILE 38 1HD1 ILE 38 -10.411 -16.520 -1.580 294 2HD1 ILE 38 2HD1 ILE 38 -9.192 -15.340 -2.062 295 3HD1 ILE 38 3HD1 ILE 38 -10.284 -14.983 -0.724 296 H ARG 39 H ARG 39 -4.649 -15.436 0.321 297 HA ARG 39 HA ARG 39 -4.131 -13.125 1.844 298 1HB ARG 39 1HB ARG 39 -3.143 -15.312 2.360 299 2HB ARG 39 2HB ARG 39 -2.197 -15.238 0.879 300 1HG ARG 39 1HG ARG 39 -0.991 -13.304 1.720 301 2HG ARG 39 2HG ARG 39 -1.970 -13.315 3.187 302 1HD ARG 39 1HD ARG 39 -0.148 -15.543 2.285 303 2HD ARG 39 2HD ARG 39 0.239 -14.345 3.521 304 HE ARG 39 HE ARG 39 -2.161 -15.599 4.224 305 1HH1 ARG 39 1HH1 ARG 39 1.227 -16.351 3.898 306 2HH1 ARG 39 2HH1 ARG 39 1.198 -17.591 5.107 307 1HH2 ARG 39 1HH2 ARG 39 -2.205 -17.229 5.816 308 2HH2 ARG 39 2HH2 ARG 39 -0.753 -18.092 6.197 309 H GLY 40 H GLY 40 -2.787 -14.199 -1.276 310 1HA GLY 40 1HA GLY 40 -0.996 -12.090 -1.657 311 2HA GLY 40 2HA GLY 40 -1.733 -13.028 -2.946 312 H ALA 41 H ALA 41 -4.357 -12.371 -2.792 313 HA ALA 41 HA ALA 41 -4.557 -10.002 -4.188 314 1HB ALA 41 1HB ALA 41 -6.328 -11.586 -4.296 315 2HB ALA 41 2HB ALA 41 -6.999 -10.099 -3.624 316 3HB ALA 41 3HB ALA 41 -6.631 -11.460 -2.563 317 H ALA 42 H ALA 42 -4.444 -10.490 -0.745 318 HA ALA 42 HA ALA 42 -5.594 -8.063 0.091 319 1HB ALA 42 1HB ALA 42 -3.426 -9.622 1.490 320 2HB ALA 42 2HB ALA 42 -5.149 -9.990 1.576 321 3HB ALA 42 3HB ALA 42 -4.541 -8.465 2.219 322 H ALA 43 H ALA 43 -2.130 -8.913 -0.243 323 HA ALA 43 HA ALA 43 -1.202 -6.277 0.191 324 1HB ALA 43 1HB ALA 43 0.175 -8.516 -1.277 325 2HB ALA 43 2HB ALA 43 0.208 -8.263 0.468 326 3HB ALA 43 3HB ALA 43 0.939 -7.074 -0.611 327 H TRP 44 H TRP 44 -2.339 -7.980 -2.616 328 HA TRP 44 HA TRP 44 -1.248 -6.467 -4.678 329 1HB TRP 44 1HB TRP 44 -3.535 -8.285 -4.350 330 2HB TRP 44 2HB TRP 44 -3.722 -7.114 -5.651 331 HD1 TRP 44 HD1 TRP 44 -1.497 -10.050 -4.572 332 HE1 TRP 44 HE1 TRP 44 -0.236 -10.918 -6.640 333 HE3 TRP 44 HE3 TRP 44 -2.885 -6.463 -7.938 334 HZ2 TRP 44 HZ2 TRP 44 0.125 -10.184 -9.338 335 HZ3 TRP 44 HZ3 TRP 44 -2.040 -6.620 -10.243 336 HH2 TRP 44 HH2 TRP 44 -0.567 -8.443 -10.928 337 H ILE 45 H ILE 45 -4.116 -5.871 -2.705 338 HA ILE 45 HA ILE 45 -4.646 -3.390 -4.167 339 HB ILE 45 HB ILE 45 -6.299 -4.706 -2.008 340 1HG1 ILE 45 1HG1 ILE 45 -6.777 -4.677 -4.995 341 2HG1 ILE 45 2HG1 ILE 45 -6.049 -6.029 -4.134 342 1HG2 ILE 45 1HG2 ILE 45 -7.033 -2.508 -3.939 343 2HG2 ILE 45 2HG2 ILE 45 -6.621 -2.265 -2.242 344 3HG2 ILE 45 3HG2 ILE 45 -8.057 -3.192 -2.677 345 1HD1 ILE 45 1HD1 ILE 45 -8.455 -6.320 -4.603 346 2HD1 ILE 45 2HD1 ILE 45 -8.791 -4.930 -3.572 347 3HD1 ILE 45 3HD1 ILE 45 -8.066 -6.383 -2.884 348 H ILE 46 H ILE 46 -3.441 -4.551 -1.128 349 HA ILE 46 HA ILE 46 -3.904 -2.339 0.507 350 HB ILE 46 HB ILE 46 -2.781 -4.727 0.951 351 1HG1 ILE 46 1HG1 ILE 46 -2.146 -2.295 2.630 352 2HG1 ILE 46 2HG1 ILE 46 -3.716 -3.085 2.595 353 1HG2 ILE 46 1HG2 ILE 46 -0.430 -4.532 1.480 354 2HG2 ILE 46 2HG2 ILE 46 -0.426 -2.844 0.975 355 3HG2 ILE 46 3HG2 ILE 46 -0.693 -4.118 -0.215 356 1HD1 ILE 46 1HD1 ILE 46 -2.477 -3.798 4.527 357 2HD1 ILE 46 2HD1 ILE 46 -1.121 -4.294 3.514 358 3HD1 ILE 46 3HD1 ILE 46 -2.659 -5.153 3.412 359 H GLY 47 H GLY 47 -1.765 -2.702 -2.155 360 1HA GLY 47 1HA GLY 47 0.116 -0.679 -1.394 361 2HA GLY 47 2HA GLY 47 -0.061 -1.391 -2.990 362 H ASN 48 H ASN 48 -2.956 -0.677 -3.038 363 HA ASN 48 HA ASN 48 -2.763 1.753 -4.402 364 1HB ASN 48 1HB ASN 48 -5.116 0.278 -3.230 365 2HB ASN 48 2HB ASN 48 -5.296 1.762 -4.153 366 1HD2 ASN 48 1HD2 ASN 48 -2.867 -0.654 -4.838 367 2HD2 ASN 48 2HD2 ASN 48 -3.543 -1.187 -6.335 368 H PHE 49 H PHE 49 -3.361 1.033 -1.035 369 HA PHE 49 HA PHE 49 -3.874 3.875 -0.501 370 1HB PHE 49 1HB PHE 49 -4.206 1.586 1.441 371 2HB PHE 49 2HB PHE 49 -4.852 3.218 1.577 372 HD1 PHE 49 HD1 PHE 49 -6.209 3.805 -0.806 373 HD2 PHE 49 HD2 PHE 49 -5.851 0.034 1.137 374 HE1 PHE 49 HE1 PHE 49 -8.301 3.061 -1.869 375 HE2 PHE 49 HE2 PHE 49 -7.940 -0.714 0.077 376 HZ PHE 49 HZ PHE 49 -9.168 0.798 -1.429 377 H GLN 50 H GLN 50 -2.013 4.919 -0.211 378 HA GLN 50 HA GLN 50 0.367 3.759 0.784 379 1HB GLN 50 1HB GLN 50 -0.532 6.379 -0.126 380 2HB GLN 50 2HB GLN 50 0.621 6.488 1.196 381 1HG GLN 50 1HG GLN 50 2.319 5.531 -0.023 382 2HG GLN 50 2HG GLN 50 1.211 4.713 -1.124 383 1HE2 GLN 50 1HE2 GLN 50 0.864 8.072 -0.248 384 2HE2 GLN 50 2HE2 GLN 50 1.295 8.722 -1.790 385 H ASP 51 H ASP 51 -0.422 2.735 2.737 386 HA ASP 51 HA ASP 51 -0.501 4.612 5.001 387 1HB ASP 51 1HB ASP 51 -2.752 3.670 4.542 388 2HB ASP 51 2HB ASP 51 -2.097 2.052 4.777 389 H GLU 52 H GLU 52 0.291 3.744 7.030 390 HA GLU 52 HA GLU 52 2.696 2.295 6.722 391 1HB GLU 52 1HB GLU 52 2.856 2.385 9.156 392 2HB GLU 52 2HB GLU 52 2.363 3.944 8.508 393 1HG GLU 52 1HG GLU 52 0.057 3.488 9.126 394 2HG GLU 52 2HG GLU 52 0.523 1.902 9.737 395 H ARG 53 H ARG 53 -0.557 1.349 7.479 396 HA ARG 53 HA ARG 53 0.029 -1.205 8.571 397 1HB ARG 53 1HB ARG 53 -2.120 -0.017 8.907 398 2HB ARG 53 2HB ARG 53 -2.497 -0.251 7.206 399 1HG ARG 53 1HG ARG 53 -2.887 -2.505 7.460 400 2HG ARG 53 2HG ARG 53 -1.902 -2.618 8.923 401 1HD ARG 53 1HD ARG 53 -4.553 -1.194 8.712 402 2HD ARG 53 2HD ARG 53 -4.321 -2.809 9.378 403 HE ARG 53 HE ARG 53 -2.621 -1.205 10.804 404 1HH1 ARG 53 1HH1 ARG 53 -6.047 -1.231 10.162 405 2HH1 ARG 53 2HH1 ARG 53 -6.467 -0.518 11.683 406 1HH2 ARG 53 1HH2 ARG 53 -3.166 -0.264 12.808 407 2HH2 ARG 53 2HH2 ARG 53 -4.830 0.034 13.185 408 H ALA 54 H ALA 54 0.411 -0.003 5.485 409 HA ALA 54 HA ALA 54 -0.010 -2.617 4.201 410 1HB ALA 54 1HB ALA 54 -1.203 -0.813 3.116 411 2HB ALA 54 2HB ALA 54 0.106 -1.364 2.070 412 3HB ALA 54 3HB ALA 54 0.280 0.132 2.989 413 H VAL 55 H VAL 55 2.301 -1.434 5.875 414 HA VAL 55 HA VAL 55 4.477 -1.538 3.951 415 HB VAL 55 HB VAL 55 4.556 -1.045 6.926 416 1HG1 VAL 55 1HG1 VAL 55 6.661 -0.631 4.815 417 2HG1 VAL 55 2HG1 VAL 55 6.661 -1.904 6.034 418 3HG1 VAL 55 3HG1 VAL 55 6.805 -0.216 6.522 419 1HG2 VAL 55 1HG2 VAL 55 4.875 1.310 6.301 420 2HG2 VAL 55 2HG2 VAL 55 3.313 0.690 5.764 421 3HG2 VAL 55 3HG2 VAL 55 4.630 0.883 4.607 422 H GLU 56 H GLU 56 3.746 -3.159 7.065 423 HA GLU 56 HA GLU 56 5.772 -5.058 6.913 424 1HB GLU 56 1HB GLU 56 4.359 -4.548 8.929 425 2HB GLU 56 2HB GLU 56 3.084 -5.518 8.203 426 1HG GLU 56 1HG GLU 56 4.850 -7.381 8.088 427 2HG GLU 56 2HG GLU 56 5.751 -6.392 9.237 428 HA PRO 57 HA PRO 57 2.150 -7.997 4.981 429 1HB PRO 57 1HB PRO 57 1.393 -5.765 3.139 430 2HB PRO 57 2HB PRO 57 0.429 -7.132 3.710 431 1HG PRO 57 1HG PRO 57 0.128 -4.710 4.782 432 2HG PRO 57 2HG PRO 57 0.044 -6.171 5.782 433 1HD PRO 57 1HD PRO 57 2.177 -4.122 5.609 434 2HD PRO 57 2HD PRO 57 1.741 -5.190 6.956 435 H LEU 58 H LEU 58 3.641 -5.377 3.092 436 HA LEU 58 HA LEU 58 4.318 -6.955 0.876 437 1HB LEU 58 1HB LEU 58 5.951 -4.590 1.720 438 2HB LEU 58 2HB LEU 58 5.536 -5.117 0.101 439 HG LEU 58 HG LEU 58 3.707 -3.776 2.091 440 1HD1 LEU 58 1HD1 LEU 58 5.348 -2.354 0.870 441 2HD1 LEU 58 2HD1 LEU 58 3.662 -1.962 0.539 442 3HD1 LEU 58 3HD1 LEU 58 4.602 -2.877 -0.640 443 1HD2 LEU 58 1HD2 LEU 58 3.078 -4.869 -0.649 444 2HD2 LEU 58 2HD2 LEU 58 2.004 -3.866 0.325 445 3HD2 LEU 58 3HD2 LEU 58 2.459 -5.474 0.888 446 H ILE 59 H ILE 59 6.172 -6.052 3.749 447 HA ILE 59 HA ILE 59 8.641 -7.086 3.076 448 HB ILE 59 HB ILE 59 7.355 -7.083 5.806 449 1HG1 ILE 59 1HG1 ILE 59 7.414 -4.852 4.786 450 2HG1 ILE 59 2HG1 ILE 59 8.547 -4.960 6.129 451 1HG2 ILE 59 1HG2 ILE 59 9.276 -8.560 5.748 452 2HG2 ILE 59 2HG2 ILE 59 9.654 -7.103 6.666 453 3HG2 ILE 59 3HG2 ILE 59 10.258 -7.289 5.020 454 1HD1 ILE 59 1HD1 ILE 59 9.210 -5.061 3.199 455 2HD1 ILE 59 2HD1 ILE 59 10.374 -5.298 4.502 456 3HD1 ILE 59 3HD1 ILE 59 9.552 -3.748 4.325 457 H LYS 60 H LYS 60 6.139 -8.758 4.982 458 HA LYS 60 HA LYS 60 7.539 -11.231 5.011 459 1HB LYS 60 1HB LYS 60 5.395 -12.121 5.938 460 2HB LYS 60 2HB LYS 60 6.049 -10.732 6.799 461 1HG LYS 60 1HG LYS 60 4.226 -9.519 6.410 462 2HG LYS 60 2HG LYS 60 4.234 -9.932 4.693 463 1HD LYS 60 1HD LYS 60 3.161 -12.073 5.205 464 2HD LYS 60 2HD LYS 60 3.145 -11.651 6.920 465 1HE LYS 60 1HE LYS 60 1.686 -9.775 6.482 466 2HE LYS 60 2HE LYS 60 1.779 -10.070 4.747 467 1HZ LYS 60 1HZ LYS 60 0.658 -12.161 5.049 468 2HZ LYS 60 2HZ LYS 60 -0.266 -10.928 5.745 469 3HZ LYS 60 3HZ LYS 60 0.639 -11.962 6.729 470 H LEU 61 H LEU 61 5.471 -9.811 2.644 471 HA LEU 61 HA LEU 61 4.683 -12.393 1.565 472 1HB LEU 61 1HB LEU 61 3.464 -9.950 1.596 473 2HB LEU 61 2HB LEU 61 4.075 -10.033 -0.044 474 HG LEU 61 HG LEU 61 2.916 -12.212 -0.320 475 1HD1 LEU 61 1HD1 LEU 61 1.664 -11.549 2.339 476 2HD1 LEU 61 2HD1 LEU 61 2.847 -12.827 2.063 477 3HD1 LEU 61 3HD1 LEU 61 1.261 -12.912 1.296 478 1HD2 LEU 61 1HD2 LEU 61 1.112 -9.956 0.519 479 2HD2 LEU 61 2HD2 LEU 61 0.703 -11.286 -0.562 480 3HD2 LEU 61 3HD2 LEU 61 1.905 -10.092 -1.049 481 H LEU 62 H LEU 62 6.953 -9.822 0.781 482 HA LEU 62 HA LEU 62 7.518 -10.630 -1.863 483 1HB LEU 62 1HB LEU 62 9.205 -9.161 0.163 484 2HB LEU 62 2HB LEU 62 9.639 -9.351 -1.526 485 HG LEU 62 HG LEU 62 7.013 -8.109 -0.828 486 1HD1 LEU 62 1HD1 LEU 62 7.996 -5.934 -0.651 487 2HD1 LEU 62 2HD1 LEU 62 9.606 -6.588 -0.937 488 3HD1 LEU 62 3HD1 LEU 62 8.748 -6.982 0.551 489 1HD2 LEU 62 1HD2 LEU 62 7.544 -8.680 -3.153 490 2HD2 LEU 62 2HD2 LEU 62 8.982 -7.661 -3.064 491 3HD2 LEU 62 3HD2 LEU 62 7.380 -6.940 -2.919 492 H GLU 63 H GLU 63 8.080 -12.131 1.067 493 HA GLU 63 HA GLU 63 10.299 -13.713 -0.045 494 1HB GLU 63 1HB GLU 63 10.790 -14.297 2.337 495 2HB GLU 63 2HB GLU 63 11.016 -12.600 1.942 496 1HG GLU 63 1HG GLU 63 8.979 -12.006 3.029 497 2HG GLU 63 2HG GLU 63 8.536 -13.699 3.239 498 H ASP 64 H ASP 64 7.046 -13.804 0.434 499 HA ASP 64 HA ASP 64 6.574 -16.311 1.587 500 1HB ASP 64 1HB ASP 64 4.888 -14.450 1.054 501 2HB ASP 64 2HB ASP 64 4.838 -15.134 -0.569 502 H ASP 65 H ASP 65 7.507 -15.384 -1.584 503 HA ASP 65 HA ASP 65 8.054 -16.525 -3.474 504 1HB ASP 65 1HB ASP 65 8.657 -18.657 -1.419 505 2HB ASP 65 2HB ASP 65 9.134 -18.752 -3.111 506 H SER 66 H SER 66 5.231 -16.720 -2.512 507 HA SER 66 HA SER 66 4.405 -19.374 -3.338 508 1HB SER 66 1HB SER 66 3.162 -18.325 -1.539 509 2HB SER 66 2HB SER 66 2.791 -16.939 -2.559 510 HG SER 66 HG SER 66 1.639 -19.439 -2.488 511 H GLY 67 H GLY 67 4.939 -16.326 -4.790 512 1HA GLY 67 1HA GLY 67 5.116 -16.427 -7.251 513 2HA GLY 67 2HA GLY 67 3.558 -17.244 -7.243 514 H PHE 68 H PHE 68 1.780 -16.003 -7.541 515 HA PHE 68 HA PHE 68 1.975 -13.281 -8.131 516 1HB PHE 68 1HB PHE 68 -0.253 -13.375 -8.601 517 2HB PHE 68 2HB PHE 68 0.013 -15.108 -8.461 518 HD1 PHE 68 HD1 PHE 68 -0.763 -16.331 -6.509 519 HD2 PHE 68 HD2 PHE 68 -1.489 -12.154 -6.928 520 HE1 PHE 68 HE1 PHE 68 -2.464 -16.450 -4.738 521 HE2 PHE 68 HE2 PHE 68 -3.191 -12.271 -5.157 522 HZ PHE 68 HZ PHE 68 -3.681 -14.420 -4.059 523 H VAL 69 H VAL 69 1.636 -14.967 -5.152 524 HA VAL 69 HA VAL 69 0.710 -12.834 -3.537 525 HB VAL 69 HB VAL 69 2.421 -15.137 -2.622 526 1HG1 VAL 69 1HG1 VAL 69 0.947 -14.875 -0.572 527 2HG1 VAL 69 2HG1 VAL 69 0.449 -13.329 -1.264 528 3HG1 VAL 69 3HG1 VAL 69 2.142 -13.615 -0.865 529 1HG2 VAL 69 1HG2 VAL 69 0.664 -16.109 -3.924 530 2HG2 VAL 69 2HG2 VAL 69 -0.543 -15.079 -3.155 531 3HG2 VAL 69 3HG2 VAL 69 0.269 -16.335 -2.220 532 H ARG 70 H ARG 70 3.854 -13.924 -4.613 533 HA ARG 70 HA ARG 70 5.326 -12.149 -2.910 534 1HB ARG 70 1HB ARG 70 6.228 -14.318 -3.745 535 2HB ARG 70 2HB ARG 70 6.279 -13.629 -5.362 536 1HG ARG 70 1HG ARG 70 7.843 -11.909 -4.559 537 2HG ARG 70 2HG ARG 70 7.823 -12.663 -2.963 538 1HD ARG 70 1HD ARG 70 9.780 -13.374 -4.217 539 2HD ARG 70 2HD ARG 70 8.694 -14.736 -3.940 540 HE ARG 70 HE ARG 70 8.232 -13.450 -6.452 541 1HH1 ARG 70 1HH1 ARG 70 10.232 -15.773 -4.794 542 2HH1 ARG 70 2HH1 ARG 70 10.647 -16.636 -6.238 543 1HH2 ARG 70 1HH2 ARG 70 8.771 -14.579 -8.353 544 2HH2 ARG 70 2HH2 ARG 70 9.816 -15.958 -8.260 545 H SER 71 H SER 71 4.306 -12.183 -6.289 546 HA SER 71 HA SER 71 5.698 -9.852 -7.078 547 1HB SER 71 1HB SER 71 4.320 -9.908 -9.075 548 2HB SER 71 2HB SER 71 4.823 -11.547 -8.667 549 HG SER 71 HG SER 71 2.294 -10.342 -8.378 550 H GLY 72 H GLY 72 2.463 -10.394 -5.792 551 1HA GLY 72 1HA GLY 72 1.306 -7.920 -6.249 552 2HA GLY 72 2HA GLY 72 0.946 -8.941 -4.866 553 H ALA 73 H ALA 73 3.057 -8.900 -3.308 554 HA ALA 73 HA ALA 73 2.987 -6.460 -1.997 555 1HB ALA 73 1HB ALA 73 5.090 -8.616 -1.913 556 2HB ALA 73 2HB ALA 73 3.680 -8.461 -0.865 557 3HB ALA 73 3HB ALA 73 4.982 -7.277 -0.773 558 H ALA 74 H ALA 74 5.112 -7.571 -4.554 559 HA ALA 74 HA ALA 74 7.133 -5.646 -4.302 560 1HB ALA 74 1HB ALA 74 6.190 -6.999 -6.827 561 2HB ALA 74 2HB ALA 74 7.333 -7.679 -5.670 562 3HB ALA 74 3HB ALA 74 7.753 -6.223 -6.572 563 H ARG 75 H ARG 75 4.522 -5.694 -6.741 564 HA ARG 75 HA ARG 75 4.897 -3.133 -7.721 565 1HB ARG 75 1HB ARG 75 2.222 -3.390 -8.038 566 2HB ARG 75 2HB ARG 75 3.413 -4.156 -9.081 567 1HG ARG 75 1HG ARG 75 3.220 -6.223 -7.866 568 2HG ARG 75 2HG ARG 75 2.149 -5.468 -6.686 569 1HD ARG 75 1HD ARG 75 1.067 -6.881 -8.511 570 2HD ARG 75 2HD ARG 75 0.396 -5.277 -8.224 571 HE ARG 75 HE ARG 75 1.369 -4.541 -10.250 572 1HH1 ARG 75 1HH1 ARG 75 1.840 -7.945 -9.664 573 2HH1 ARG 75 2HH1 ARG 75 2.195 -8.309 -11.319 574 1HH2 ARG 75 1HH2 ARG 75 1.835 -5.015 -12.426 575 2HH2 ARG 75 2HH2 ARG 75 2.194 -6.645 -12.889 576 H SER 76 H SER 76 3.196 -4.166 -4.840 577 HA SER 76 HA SER 76 1.714 -1.880 -4.280 578 1HB SER 76 1HB SER 76 1.353 -3.821 -2.942 579 2HB SER 76 2HB SER 76 3.045 -3.877 -2.448 580 HG SER 76 HG SER 76 2.722 -2.019 -1.238 581 H LEU 77 H LEU 77 5.095 -2.613 -3.611 582 HA LEU 77 HA LEU 77 5.678 -0.347 -2.052 583 1HB LEU 77 1HB LEU 77 7.434 -2.025 -3.837 584 2HB LEU 77 2HB LEU 77 8.043 -0.786 -2.755 585 HG LEU 77 HG LEU 77 6.367 -3.024 -1.677 586 1HD1 LEU 77 1HD1 LEU 77 8.144 -4.058 -3.016 587 2HD1 LEU 77 2HD1 LEU 77 8.369 -4.327 -1.287 588 3HD1 LEU 77 3HD1 LEU 77 9.341 -3.121 -2.125 589 1HD2 LEU 77 1HD2 LEU 77 6.829 -1.157 -0.208 590 2HD2 LEU 77 2HD2 LEU 77 8.556 -1.289 -0.540 591 3HD2 LEU 77 3HD2 LEU 77 7.724 -2.578 0.331 592 H GLU 78 H GLU 78 6.427 -0.939 -5.491 593 HA GLU 78 HA GLU 78 7.324 1.562 -6.180 594 1HB GLU 78 1HB GLU 78 7.342 -0.406 -7.680 595 2HB GLU 78 2HB GLU 78 5.604 -0.242 -7.891 596 1HG GLU 78 1HG GLU 78 5.896 1.904 -8.955 597 2HG GLU 78 2HG GLU 78 7.634 1.841 -8.661 598 H GLN 79 H GLN 79 4.004 0.468 -5.790 599 HA GLN 79 HA GLN 79 2.713 2.707 -6.910 600 1HB GLN 79 1HB GLN 79 1.866 0.701 -4.823 601 2HB GLN 79 2HB GLN 79 0.804 2.000 -5.349 602 1HG GLN 79 1HG GLN 79 0.895 1.169 -7.633 603 2HG GLN 79 2HG GLN 79 1.990 -0.118 -7.130 604 1HE2 GLN 79 1HE2 GLN 79 1.193 -1.845 -5.939 605 2HE2 GLN 79 2HE2 GLN 79 -0.498 -2.171 -5.797 606 H ILE 80 H ILE 80 3.974 2.040 -3.704 607 HA ILE 80 HA ILE 80 2.939 4.396 -2.478 608 HB ILE 80 HB ILE 80 5.136 2.488 -1.658 609 1HG1 ILE 80 1HG1 ILE 80 2.366 2.926 -0.520 610 2HG1 ILE 80 2HG1 ILE 80 2.771 1.663 -1.677 611 1HG2 ILE 80 1HG2 ILE 80 4.002 4.843 -0.152 612 2HG2 ILE 80 2HG2 ILE 80 5.668 4.625 -0.688 613 3HG2 ILE 80 3HG2 ILE 80 5.002 3.582 0.568 614 1HD1 ILE 80 1HD1 ILE 80 2.679 0.840 0.625 615 2HD1 ILE 80 2HD1 ILE 80 3.977 1.950 1.067 616 3HD1 ILE 80 3HD1 ILE 80 4.281 0.648 -0.084 617 H GLY 81 H GLY 81 6.287 3.468 -3.325 618 1HA GLY 81 1HA GLY 81 8.099 4.728 -3.943 619 2HA GLY 81 2HA GLY 81 6.941 5.852 -4.637 620 H GLY 82 H GLY 82 9.092 5.208 -2.031 621 1HA GLY 82 1HA GLY 82 9.366 7.862 -1.262 622 2HA GLY 82 2HA GLY 82 8.146 7.168 -0.204 623 H GLU 83 H GLU 83 9.886 7.846 1.374 624 HA GLU 83 HA GLU 83 12.285 6.314 1.517 625 1HB GLU 83 1HB GLU 83 11.987 8.572 2.543 626 2HB GLU 83 2HB GLU 83 10.913 7.847 3.732 627 1HG GLU 83 1HG GLU 83 12.787 6.382 4.445 628 2HG GLU 83 2HG GLU 83 13.840 7.271 3.345 629 H ARG 84 H ARG 84 9.045 5.938 2.738 630 HA ARG 84 HA ARG 84 9.503 4.052 4.739 631 1HB ARG 84 1HB ARG 84 7.143 3.429 4.492 632 2HB ARG 84 2HB ARG 84 7.351 5.172 4.498 633 1HG ARG 84 1HG ARG 84 7.150 3.672 1.916 634 2HG ARG 84 2HG ARG 84 5.707 4.102 2.828 635 1HD ARG 84 1HD ARG 84 7.781 5.972 1.696 636 2HD ARG 84 2HD ARG 84 6.102 5.805 1.195 637 HE ARG 84 HE ARG 84 6.081 6.476 3.886 638 1HH1 ARG 84 1HH1 ARG 84 7.113 7.898 0.874 639 2HH1 ARG 84 2HH1 ARG 84 6.836 9.524 1.401 640 1HH2 ARG 84 1HH2 ARG 84 5.710 8.612 4.582 641 2HH2 ARG 84 2HH2 ARG 84 6.038 9.932 3.508 642 H VAL 85 H VAL 85 8.720 3.539 1.305 643 HA VAL 85 HA VAL 85 8.946 0.704 1.463 644 HB VAL 85 HB VAL 85 9.026 0.812 -1.036 645 1HG1 VAL 85 1HG1 VAL 85 6.913 0.673 0.249 646 2HG1 VAL 85 2HG1 VAL 85 6.732 1.512 -1.292 647 3HG1 VAL 85 3HG1 VAL 85 6.811 2.433 0.210 648 1HG2 VAL 85 1HG2 VAL 85 8.567 3.005 -2.085 649 2HG2 VAL 85 2HG2 VAL 85 10.157 2.921 -1.328 650 3HG2 VAL 85 3HG2 VAL 85 8.841 3.777 -0.523 651 H ARG 86 H ARG 86 11.164 3.304 1.028 652 HA ARG 86 HA ARG 86 13.280 2.077 -0.295 653 1HB ARG 86 1HB ARG 86 12.884 4.537 0.691 654 2HB ARG 86 2HB ARG 86 13.916 3.906 1.965 655 1HG ARG 86 1HG ARG 86 14.679 3.788 -0.938 656 2HG ARG 86 2HG ARG 86 15.054 5.168 0.094 657 1HD ARG 86 1HD ARG 86 16.252 3.639 1.629 658 2HD ARG 86 2HD ARG 86 15.946 2.317 0.504 659 HE ARG 86 HE ARG 86 17.197 3.933 -1.119 660 1HH1 ARG 86 1HH1 ARG 86 17.913 3.339 2.241 661 2HH1 ARG 86 2HH1 ARG 86 19.609 3.648 2.066 662 1HH2 ARG 86 1HH2 ARG 86 19.425 4.340 -1.356 663 2HH2 ARG 86 2HH2 ARG 86 20.467 4.219 0.022 664 H ALA 87 H ALA 87 12.138 1.710 2.961 665 HA ALA 87 HA ALA 87 14.526 0.401 3.919 666 1HB ALA 87 1HB ALA 87 11.817 0.460 5.235 667 2HB ALA 87 2HB ALA 87 12.998 1.763 5.373 668 3HB ALA 87 3HB ALA 87 13.381 0.156 5.993 669 H ALA 88 H ALA 88 11.376 -0.509 2.678 670 HA ALA 88 HA ALA 88 11.347 -3.201 3.389 671 1HB ALA 88 1HB ALA 88 10.239 -2.122 0.808 672 2HB ALA 88 2HB ALA 88 9.466 -1.854 2.370 673 3HB ALA 88 3HB ALA 88 9.659 -3.494 1.751 674 H MET 89 H MET 89 12.578 -1.673 0.421 675 HA MET 89 HA MET 89 13.472 -4.028 -0.818 676 1HB MET 89 1HB MET 89 15.129 -1.621 -1.240 677 2HB MET 89 2HB MET 89 14.361 -2.674 -2.411 678 1HG MET 89 1HG MET 89 13.176 -0.379 -0.916 679 2HG MET 89 2HG MET 89 13.360 -0.588 -2.659 680 1HE MET 89 1HE MET 89 12.103 -2.430 -4.016 681 2HE MET 89 2HE MET 89 10.660 -3.283 -3.467 682 3HE MET 89 3HE MET 89 12.248 -3.763 -2.869 683 H GLU 90 H GLU 90 15.120 -1.705 1.270 684 HA GLU 90 HA GLU 90 17.645 -2.831 1.346 685 1HB GLU 90 1HB GLU 90 16.056 -1.366 3.449 686 2HB GLU 90 2HB GLU 90 17.715 -1.875 3.725 687 1HG GLU 90 1HG GLU 90 16.789 -0.035 1.531 688 2HG GLU 90 2HG GLU 90 17.572 0.458 3.030 689 H LYS 91 H LYS 91 14.695 -3.794 2.952 690 HA LYS 91 HA LYS 91 15.925 -5.684 4.708 691 1HB LYS 91 1HB LYS 91 13.736 -4.686 5.207 692 2HB LYS 91 2HB LYS 91 13.051 -5.471 3.792 693 1HG LYS 91 1HG LYS 91 12.453 -6.679 5.793 694 2HG LYS 91 2HG LYS 91 13.522 -7.662 4.791 695 1HD LYS 91 1HD LYS 91 15.418 -7.054 6.205 696 2HD LYS 91 2HD LYS 91 14.362 -6.044 7.197 697 1HE LYS 91 1HE LYS 91 14.093 -9.025 6.818 698 2HE LYS 91 2HE LYS 91 14.794 -8.233 8.229 699 1HZ LYS 91 1HZ LYS 91 12.620 -7.115 8.546 700 2HZ LYS 91 2HZ LYS 91 12.547 -8.795 8.718 701 3HZ LYS 91 3HZ LYS 91 11.980 -8.065 7.301 702 H LEU 92 H LEU 92 14.658 -5.792 1.438 703 HA LEU 92 HA LEU 92 14.653 -8.664 1.288 704 1HB LEU 92 1HB LEU 92 14.710 -6.726 -1.018 705 2HB LEU 92 2HB LEU 92 14.176 -8.396 -1.042 706 HG LEU 92 HG LEU 92 12.785 -6.230 0.518 707 1HD1 LEU 92 1HD1 LEU 92 12.059 -7.359 -2.178 708 2HD1 LEU 92 2HD1 LEU 92 12.759 -5.765 -1.901 709 3HD1 LEU 92 3HD1 LEU 92 11.161 -6.147 -1.266 710 1HD2 LEU 92 1HD2 LEU 92 11.926 -9.005 -0.297 711 2HD2 LEU 92 2HD2 LEU 92 10.953 -7.840 0.602 712 3HD2 LEU 92 3HD2 LEU 92 12.415 -8.513 1.324 713 H ALA 93 H ALA 93 16.852 -6.077 0.353 714 HA ALA 93 HA ALA 93 18.704 -7.469 -1.140 715 1HB ALA 93 1HB ALA 93 20.354 -5.784 -0.353 716 2HB ALA 93 2HB ALA 93 19.152 -5.212 0.804 717 3HB ALA 93 3HB ALA 93 18.840 -5.085 -0.927 718 H GLU 94 H GLU 94 18.237 -7.438 2.332 719 HA GLU 94 HA GLU 94 20.679 -8.903 2.853 720 1HB GLU 94 1HB GLU 94 19.747 -7.201 4.436 721 2HB GLU 94 2HB GLU 94 18.400 -8.288 4.741 722 1HG GLU 94 1HG GLU 94 20.021 -8.476 6.505 723 2HG GLU 94 2HG GLU 94 19.976 -9.976 5.580 724 H THR 95 H THR 95 17.418 -9.581 2.106 725 HA THR 95 HA THR 95 17.826 -12.428 2.761 726 HB THR 95 HB THR 95 15.365 -12.634 3.002 727 HG1 THR 95 HG1 THR 95 15.496 -9.823 2.612 728 1HG2 THR 95 1HG2 THR 95 16.779 -12.307 4.984 729 2HG2 THR 95 2HG2 THR 95 15.191 -11.571 5.191 730 3HG2 THR 95 3HG2 THR 95 16.590 -10.561 4.826 731 H GLY 96 H GLY 96 18.637 -11.216 0.353 732 1HA GLY 96 1HA GLY 96 17.018 -11.113 -1.808 733 2HA GLY 96 2HA GLY 96 18.626 -11.808 -1.872 734 H THR 97 H THR 97 15.470 -12.350 -2.551 735 HA THR 97 HA THR 97 15.941 -15.151 -3.040 736 HB THR 97 HB THR 97 15.172 -15.298 -0.746 737 HG1 THR 97 HG1 THR 97 12.843 -16.023 -2.110 738 1HG2 THR 97 1HG2 THR 97 13.957 -13.111 -0.738 739 2HG2 THR 97 2HG2 THR 97 13.062 -14.438 0.003 740 3HG2 THR 97 3HG2 THR 97 12.647 -13.894 -1.623 741 H GLY 98 H GLY 98 14.806 -15.868 -4.773 742 1HA GLY 98 1HA GLY 98 13.443 -15.803 -6.618 743 2HA GLY 98 2HA GLY 98 12.284 -14.964 -5.598 744 H PHE 99 H PHE 99 11.589 -13.501 -7.124 745 HA PHE 99 HA PHE 99 13.568 -11.820 -8.454 746 1HB PHE 99 1HB PHE 99 11.985 -11.384 -10.024 747 2HB PHE 99 2HB PHE 99 11.269 -12.858 -9.390 748 HD1 PHE 99 HD1 PHE 99 9.629 -12.448 -7.325 749 HD2 PHE 99 HD2 PHE 99 10.654 -9.552 -10.273 750 HE1 PHE 99 HE1 PHE 99 7.563 -11.214 -6.824 751 HE2 PHE 99 HE2 PHE 99 8.588 -8.311 -9.772 752 HZ PHE 99 HZ PHE 99 7.042 -9.140 -8.048 753 H ALA 100 H ALA 100 11.658 -11.816 -5.658 754 HA ALA 100 HA ALA 100 10.934 -9.162 -5.297 755 1HB ALA 100 1HB ALA 100 11.950 -11.063 -3.184 756 2HB ALA 100 2HB ALA 100 10.290 -10.980 -3.775 757 3HB ALA 100 3HB ALA 100 10.986 -9.611 -2.908 758 H ARG 101 H ARG 101 14.034 -10.744 -4.901 759 HA ARG 101 HA ARG 101 15.406 -8.595 -3.670 760 1HB ARG 101 1HB ARG 101 16.286 -10.856 -3.595 761 2HB ARG 101 2HB ARG 101 16.389 -10.897 -5.349 762 1HG ARG 101 1HG ARG 101 18.582 -10.565 -4.435 763 2HG ARG 101 2HG ARG 101 18.073 -9.090 -5.256 764 1HD ARG 101 1HD ARG 101 17.265 -8.330 -2.932 765 2HD ARG 101 2HD ARG 101 18.274 -9.638 -2.317 766 HE ARG 101 HE ARG 101 19.177 -7.165 -3.538 767 1HH1 ARG 101 1HH1 ARG 101 19.993 -10.368 -2.438 768 2HH1 ARG 101 2HH1 ARG 101 21.685 -10.026 -2.293 769 1HH2 ARG 101 1HH2 ARG 101 21.401 -6.705 -3.350 770 2HH2 ARG 101 2HH2 ARG 101 22.485 -7.944 -2.812 771 H LYS 102 H LYS 102 15.436 -9.787 -7.019 772 HA LYS 102 HA LYS 102 16.955 -7.860 -8.247 773 1HB LYS 102 1HB LYS 102 16.181 -9.767 -9.481 774 2HB LYS 102 2HB LYS 102 14.500 -9.331 -9.223 775 1HG LYS 102 1HG LYS 102 14.800 -8.677 -11.389 776 2HG LYS 102 2HG LYS 102 15.163 -7.174 -10.539 777 1HD LYS 102 1HD LYS 102 17.490 -7.475 -10.805 778 2HD LYS 102 2HD LYS 102 17.290 -9.157 -11.302 779 1HE LYS 102 1HE LYS 102 16.113 -8.387 -13.324 780 2HE LYS 102 2HE LYS 102 16.410 -6.718 -12.840 781 1HZ LYS 102 1HZ LYS 102 18.780 -7.125 -12.991 782 2HZ LYS 102 2HZ LYS 102 18.033 -7.490 -14.463 783 3HZ LYS 102 3HZ LYS 102 18.510 -8.738 -13.427 784 H VAL 103 H VAL 103 13.750 -7.674 -7.005 785 HA VAL 103 HA VAL 103 13.009 -5.228 -8.299 786 HB VAL 103 HB VAL 103 11.824 -6.880 -6.082 787 1HG1 VAL 103 1HG1 VAL 103 11.298 -4.622 -5.460 788 2HG1 VAL 103 2HG1 VAL 103 9.856 -5.334 -6.183 789 3HG1 VAL 103 3HG1 VAL 103 10.848 -4.214 -7.115 790 1HG2 VAL 103 1HG2 VAL 103 10.054 -7.281 -7.680 791 2HG2 VAL 103 2HG2 VAL 103 11.614 -7.663 -8.412 792 3HG2 VAL 103 3HG2 VAL 103 10.791 -6.159 -8.823 793 H ALA 104 H ALA 104 14.113 -6.148 -5.049 794 HA ALA 104 HA ALA 104 13.825 -3.717 -3.763 795 1HB ALA 104 1HB ALA 104 15.434 -4.520 -2.162 796 2HB ALA 104 2HB ALA 104 16.019 -5.723 -3.311 797 3HB ALA 104 3HB ALA 104 14.384 -5.845 -2.665 798 H VAL 105 H VAL 105 16.783 -4.947 -5.254 799 HA VAL 105 HA VAL 105 18.344 -2.667 -4.825 800 HB VAL 105 HB VAL 105 18.671 -4.691 -7.039 801 1HG1 VAL 105 1HG1 VAL 105 20.603 -2.773 -5.752 802 2HG1 VAL 105 2HG1 VAL 105 20.056 -2.777 -7.428 803 3HG1 VAL 105 3HG1 VAL 105 21.077 -4.085 -6.830 804 1HG2 VAL 105 1HG2 VAL 105 20.155 -5.874 -5.486 805 2HG2 VAL 105 2HG2 VAL 105 18.502 -5.797 -4.878 806 3HG2 VAL 105 3HG2 VAL 105 19.735 -4.724 -4.216 807 H ASN 106 H ASN 106 16.872 -3.770 -7.877 808 HA ASN 106 HA ASN 106 17.541 -1.566 -9.426 809 1HB ASN 106 1HB ASN 106 16.789 -3.515 -10.529 810 2HB ASN 106 2HB ASN 106 15.285 -3.551 -9.615 811 1HD2 ASN 106 1HD2 ASN 106 13.969 -3.562 -11.388 812 2HD2 ASN 106 2HD2 ASN 106 13.787 -2.205 -12.441 813 H TYR 107 H TYR 107 14.651 -2.054 -7.405 814 HA TYR 107 HA TYR 107 13.208 0.150 -8.354 815 1HB TYR 107 1HB TYR 107 12.085 -1.591 -7.188 816 2HB TYR 107 2HB TYR 107 13.138 -1.420 -5.792 817 HD1 TYR 107 HD1 TYR 107 12.286 -0.427 -3.999 818 HD2 TYR 107 HD2 TYR 107 10.832 0.741 -7.801 819 HE1 TYR 107 HE1 TYR 107 10.712 1.122 -2.904 820 HE2 TYR 107 HE2 TYR 107 9.250 2.292 -6.740 821 HH TYR 107 HH TYR 107 8.135 2.588 -4.578 822 H LEU 108 H LEU 108 15.785 -0.162 -6.047 823 HA LEU 108 HA LEU 108 15.429 2.157 -4.543 824 1HB LEU 108 1HB LEU 108 17.863 0.592 -5.324 825 2HB LEU 108 2HB LEU 108 17.994 2.040 -4.355 826 HG LEU 108 HG LEU 108 16.356 -0.369 -3.574 827 1HD1 LEU 108 1HD1 LEU 108 18.154 -0.831 -1.971 828 2HD1 LEU 108 2HD1 LEU 108 19.109 0.473 -2.679 829 3HD1 LEU 108 3HD1 LEU 108 18.712 -0.952 -3.641 830 1HD2 LEU 108 1HD2 LEU 108 17.218 2.059 -2.006 831 2HD2 LEU 108 2HD2 LEU 108 16.311 0.686 -1.375 832 3HD2 LEU 108 3HD2 LEU 108 15.588 1.736 -2.595 833 H GLU 109 H GLU 109 16.082 1.896 -7.845 834 HA GLU 109 HA GLU 109 17.625 4.317 -8.100 835 1HB GLU 109 1HB GLU 109 16.215 2.643 -10.189 836 2HB GLU 109 2HB GLU 109 17.290 3.991 -10.534 837 1HG GLU 109 1HG GLU 109 19.125 2.785 -9.431 838 2HG GLU 109 2HG GLU 109 18.040 1.421 -9.157 839 H THR 110 H THR 110 14.578 3.920 -7.165 840 HA THR 110 HA THR 110 13.752 6.491 -8.296 841 HB THR 110 HB THR 110 11.416 5.625 -8.576 842 HG1 THR 110 HG1 THR 110 11.885 3.076 -8.985 843 1HG2 THR 110 1HG2 THR 110 11.852 4.500 -10.726 844 2HG2 THR 110 2HG2 THR 110 13.551 4.339 -10.282 845 3HG2 THR 110 3HG2 THR 110 12.849 5.940 -10.515 846 H HIS 111 H HIS 111 12.237 3.989 -6.270 847 HA HIS 111 HA HIS 111 11.071 4.160 -4.326 848 1HB HIS 111 1HB HIS 111 12.439 4.971 -2.413 849 2HB HIS 111 2HB HIS 111 13.274 3.817 -3.440 850 HD1 HIS 111 HD1 HIS 111 15.064 4.928 -5.145 851 HD2 HIS 111 HD2 HIS 111 13.780 7.298 -1.982 852 HE1 HIS 111 HE1 HIS 111 16.763 6.773 -4.953 853 HE2 HIS 111 HE2 HIS 111 15.945 8.216 -3.058 Start of MODEL 8 1 H MET 1 H MET 1 0.078 13.961 7.385 2 HA MET 1 HA MET 1 -1.962 12.067 8.392 3 1HB MET 1 1HB MET 1 0.066 13.729 9.901 4 2HB MET 1 2HB MET 1 -1.221 12.784 10.637 5 1HG MET 1 1HG MET 1 -0.246 10.740 9.766 6 2HG MET 1 2HG MET 1 1.023 11.669 8.971 7 1HE MET 1 1HE MET 1 2.851 10.144 10.092 8 2HE MET 1 2HE MET 1 1.618 9.204 10.932 9 3HE MET 1 3HE MET 1 2.983 9.868 11.829 10 H ALA 2 H ALA 2 -1.699 14.801 6.800 11 HA ALA 2 HA ALA 2 -3.906 16.061 8.269 12 1HB ALA 2 1HB ALA 2 -1.588 17.592 7.093 13 2HB ALA 2 2HB ALA 2 -1.827 17.270 8.811 14 3HB ALA 2 3HB ALA 2 -2.983 18.271 7.933 15 H ASP 3 H ASP 3 -2.520 15.030 5.344 16 HA ASP 3 HA ASP 3 -4.545 16.483 3.776 17 1HB ASP 3 1HB ASP 3 -1.987 15.161 2.844 18 2HB ASP 3 2HB ASP 3 -3.135 16.003 1.809 19 H GLU 4 H GLU 4 -3.074 13.313 4.308 20 HA GLU 4 HA GLU 4 -4.905 11.969 2.539 21 1HB GLU 4 1HB GLU 4 -2.939 10.891 4.568 22 2HB GLU 4 2HB GLU 4 -3.850 9.903 3.435 23 1HG GLU 4 1HG GLU 4 -1.863 12.035 2.684 24 2HG GLU 4 2HG GLU 4 -1.552 10.299 2.697 25 H ASN 5 H ASN 5 -5.882 9.841 3.612 26 HA ASN 5 HA ASN 5 -7.803 9.175 4.655 27 1HB ASN 5 1HB ASN 5 -7.511 9.059 7.156 28 2HB ASN 5 2HB ASN 5 -6.200 8.361 6.214 29 1HD2 ASN 5 1HD2 ASN 5 -4.222 9.451 6.097 30 2HD2 ASN 5 2HD2 ASN 5 -3.777 10.642 7.268 31 H LYS 6 H LYS 6 -9.244 10.746 3.867 32 HA LYS 6 HA LYS 6 -10.596 12.187 5.918 33 1HB LYS 6 1HB LYS 6 -8.723 13.758 5.367 34 2HB LYS 6 2HB LYS 6 -9.351 13.857 3.727 35 1HG LYS 6 1HG LYS 6 -10.070 15.770 5.012 36 2HG LYS 6 2HG LYS 6 -11.460 14.761 4.605 37 1HD LYS 6 1HD LYS 6 -11.408 13.778 6.842 38 2HD LYS 6 2HD LYS 6 -10.001 14.762 7.249 39 1HE LYS 6 1HE LYS 6 -12.029 15.751 8.155 40 2HE LYS 6 2HE LYS 6 -11.332 16.791 6.914 41 1HZ LYS 6 1HZ LYS 6 -13.604 14.920 6.508 42 2HZ LYS 6 2HZ LYS 6 -12.953 15.958 5.341 43 3HZ LYS 6 3HZ LYS 6 -13.738 16.597 6.696 44 H TRP 7 H TRP 7 -10.109 11.634 2.476 45 HA TRP 7 HA TRP 7 -12.851 12.276 1.823 46 1HB TRP 7 1HB TRP 7 -12.235 11.623 -0.462 47 2HB TRP 7 2HB TRP 7 -11.064 12.754 0.210 48 HD1 TRP 7 HD1 TRP 7 -8.659 11.666 0.988 49 HE1 TRP 7 HE1 TRP 7 -7.380 9.648 0.029 50 HE3 TRP 7 HE3 TRP 7 -12.490 9.397 -1.522 51 HZ2 TRP 7 HZ2 TRP 7 -7.925 7.392 -1.582 52 HZ3 TRP 7 HZ3 TRP 7 -12.028 7.314 -2.747 53 HH2 TRP 7 HH2 TRP 7 -9.793 6.333 -2.776 54 H VAL 8 H VAL 8 -11.785 9.910 3.569 55 HA VAL 8 HA VAL 8 -12.409 7.478 2.409 56 HB VAL 8 HB VAL 8 -11.347 7.576 4.569 57 1HG1 VAL 8 1HG1 VAL 8 -13.932 8.782 5.540 58 2HG1 VAL 8 2HG1 VAL 8 -12.345 9.551 5.494 59 3HG1 VAL 8 3HG1 VAL 8 -12.644 8.205 6.595 60 1HG2 VAL 8 1HG2 VAL 8 -12.619 5.892 5.770 61 2HG2 VAL 8 2HG2 VAL 8 -12.664 5.570 4.038 62 3HG2 VAL 8 3HG2 VAL 8 -14.062 6.286 4.838 63 H ARG 9 H ARG 9 -14.200 6.513 1.771 64 HA ARG 9 HA ARG 9 -16.371 5.939 1.486 65 1HB ARG 9 1HB ARG 9 -16.661 5.953 3.885 66 2HB ARG 9 2HB ARG 9 -16.850 7.701 3.892 67 1HG ARG 9 1HG ARG 9 -19.003 6.703 4.131 68 2HG ARG 9 2HG ARG 9 -18.904 7.429 2.527 69 1HD ARG 9 1HD ARG 9 -18.347 5.194 1.606 70 2HD ARG 9 2HD ARG 9 -18.591 4.508 3.212 71 HE ARG 9 HE ARG 9 -20.863 5.987 2.348 72 1HH1 ARG 9 1HH1 ARG 9 -19.218 2.937 1.973 73 2HH1 ARG 9 2HH1 ARG 9 -20.651 2.073 1.529 74 1HH2 ARG 9 1HH2 ARG 9 -22.755 4.859 1.767 75 2HH2 ARG 9 2HH2 ARG 9 -22.664 3.166 1.410 76 H ARG 10 H ARG 10 -15.851 9.406 2.026 77 HA ARG 10 HA ARG 10 -18.082 10.347 0.653 78 1HB ARG 10 1HB ARG 10 -15.321 11.580 0.777 79 2HB ARG 10 2HB ARG 10 -16.792 12.418 0.303 80 1HG ARG 10 1HG ARG 10 -17.714 11.927 2.567 81 2HG ARG 10 2HG ARG 10 -16.128 11.293 3.012 82 1HD ARG 10 1HD ARG 10 -16.665 14.091 2.021 83 2HD ARG 10 2HD ARG 10 -16.463 13.638 3.713 84 HE ARG 10 HE ARG 10 -14.185 12.742 2.699 85 1HH1 ARG 10 1HH1 ARG 10 -15.844 15.754 2.135 86 2HH1 ARG 10 2HH1 ARG 10 -14.390 16.651 1.851 87 1HH2 ARG 10 1HH2 ARG 10 -12.264 13.919 2.331 88 2HH2 ARG 10 2HH2 ARG 10 -12.358 15.609 1.959 89 H ASP 11 H ASP 11 -18.658 10.337 -1.416 90 HA ASP 11 HA ASP 11 -18.556 10.281 -3.700 91 1HB ASP 11 1HB ASP 11 -16.423 11.583 -3.494 92 2HB ASP 11 2HB ASP 11 -15.555 10.050 -3.443 93 H VAL 12 H VAL 12 -16.096 8.133 -2.274 94 HA VAL 12 HA VAL 12 -16.412 6.061 -4.163 95 HB VAL 12 HB VAL 12 -15.543 4.740 -1.916 96 1HG1 VAL 12 1HG1 VAL 12 -14.456 4.572 -4.026 97 2HG1 VAL 12 2HG1 VAL 12 -13.259 5.152 -2.868 98 3HG1 VAL 12 3HG1 VAL 12 -14.009 6.278 -4.001 99 1HG2 VAL 12 1HG2 VAL 12 -13.954 6.191 -0.787 100 2HG2 VAL 12 2HG2 VAL 12 -15.593 6.816 -0.607 101 3HG2 VAL 12 3HG2 VAL 12 -14.486 7.561 -1.760 102 H SER 13 H SER 13 -16.955 3.752 -3.303 103 HA SER 13 HA SER 13 -19.193 3.626 -1.488 104 1HB SER 13 1HB SER 13 -20.308 4.354 -3.556 105 2HB SER 13 2HB SER 13 -19.605 2.988 -4.422 106 HG SER 13 HG SER 13 -20.829 2.062 -2.251 107 H THR 14 H THR 14 -17.022 2.078 -3.765 108 HA THR 14 HA THR 14 -17.593 -0.598 -3.353 109 HB THR 14 HB THR 14 -15.169 -1.024 -3.848 110 HG1 THR 14 HG1 THR 14 -15.111 1.759 -3.468 111 1HG2 THR 14 1HG2 THR 14 -16.592 0.950 -5.637 112 2HG2 THR 14 2HG2 THR 14 -16.777 -0.803 -5.663 113 3HG2 THR 14 3HG2 THR 14 -15.238 -0.073 -6.121 114 H ALA 15 H ALA 15 -16.588 -2.209 -1.993 115 HA ALA 15 HA ALA 15 -16.223 -1.200 0.708 116 1HB ALA 15 1HB ALA 15 -16.520 -3.456 1.442 117 2HB ALA 15 2HB ALA 15 -16.328 -4.068 -0.202 118 3HB ALA 15 3HB ALA 15 -17.744 -3.107 0.220 119 H LEU 16 H LEU 16 -14.535 -3.805 -1.079 120 HA LEU 16 HA LEU 16 -12.131 -3.211 0.436 121 1HB LEU 16 1HB LEU 16 -11.292 -5.275 -0.238 122 2HB LEU 16 2HB LEU 16 -13.009 -5.551 -0.014 123 HG LEU 16 HG LEU 16 -11.731 -5.071 -2.706 124 1HD1 LEU 16 1HD1 LEU 16 -12.546 -7.688 -1.453 125 2HD1 LEU 16 2HD1 LEU 16 -10.884 -7.130 -1.648 126 3HD1 LEU 16 3HD1 LEU 16 -11.878 -7.453 -3.069 127 1HD2 LEU 16 1HD2 LEU 16 -13.835 -5.969 -3.566 128 2HD2 LEU 16 2HD2 LEU 16 -14.106 -4.523 -2.594 129 3HD2 LEU 16 3HD2 LEU 16 -14.450 -6.116 -1.920 130 H SER 17 H SER 17 -13.226 -3.056 -2.916 131 HA SER 17 HA SER 17 -10.814 -2.647 -4.212 132 1HB SER 17 1HB SER 17 -13.482 -1.384 -4.871 133 2HB SER 17 2HB SER 17 -12.114 -1.531 -5.973 134 HG SER 17 HG SER 17 -12.739 -3.921 -4.872 135 H ARG 18 H ARG 18 -12.984 -0.123 -2.914 136 HA ARG 18 HA ARG 18 -10.652 1.585 -2.502 137 1HB ARG 18 1HB ARG 18 -13.081 2.438 -4.089 138 2HB ARG 18 2HB ARG 18 -11.829 3.531 -3.519 139 1HG ARG 18 1HG ARG 18 -10.179 2.396 -4.890 140 2HG ARG 18 2HG ARG 18 -11.402 1.244 -5.431 141 1HD ARG 18 1HD ARG 18 -11.447 4.223 -5.902 142 2HD ARG 18 2HD ARG 18 -11.017 2.997 -7.094 143 HE ARG 18 HE ARG 18 -13.564 2.408 -6.100 144 1HH1 ARG 18 1HH1 ARG 18 -11.965 4.840 -8.023 145 2HH1 ARG 18 2HH1 ARG 18 -13.382 5.230 -8.937 146 1HH2 ARG 18 1HH2 ARG 18 -15.429 2.915 -7.300 147 2HH2 ARG 18 2HH2 ARG 18 -15.351 4.137 -8.526 148 H MET 19 H MET 19 -10.778 1.813 -0.366 149 HA MET 19 HA MET 19 -13.290 2.839 0.759 150 1HB MET 19 1HB MET 19 -12.448 1.444 2.857 151 2HB MET 19 2HB MET 19 -13.476 0.734 1.617 152 1HG MET 19 1HG MET 19 -11.875 -0.875 1.805 153 2HG MET 19 2HG MET 19 -11.190 0.102 0.514 154 1HE MET 19 1HE MET 19 -8.992 -1.326 1.103 155 2HE MET 19 2HE MET 19 -9.680 -2.048 2.558 156 3HE MET 19 3HE MET 19 -8.130 -1.209 2.638 157 H GLY 20 H GLY 20 -9.796 2.421 1.228 158 1HA GLY 20 1HA GLY 20 -8.442 4.367 1.713 159 2HA GLY 20 2HA GLY 20 -9.800 5.017 2.615 160 H ASP 21 H ASP 21 -10.160 4.395 4.707 161 HA ASP 21 HA ASP 21 -8.141 2.624 5.906 162 1HB ASP 21 1HB ASP 21 -9.114 5.289 6.951 163 2HB ASP 21 2HB ASP 21 -8.141 4.157 7.888 164 H GLU 22 H GLU 22 -11.302 2.948 5.256 165 HA GLU 22 HA GLU 22 -12.393 2.219 7.830 166 1HB GLU 22 1HB GLU 22 -13.742 3.570 6.337 167 2HB GLU 22 2HB GLU 22 -13.634 2.348 5.077 168 1HG GLU 22 1HG GLU 22 -15.794 2.253 6.129 169 2HG GLU 22 2HG GLU 22 -14.885 0.790 6.505 170 H ALA 23 H ALA 23 -11.806 0.612 4.718 171 HA ALA 23 HA ALA 23 -12.362 -1.962 6.023 172 1HB ALA 23 1HB ALA 23 -13.281 -0.983 3.615 173 2HB ALA 23 2HB ALA 23 -13.327 -2.664 4.147 174 3HB ALA 23 3HB ALA 23 -11.991 -2.092 3.149 175 H PHE 24 H PHE 24 -9.835 -0.157 5.843 176 HA PHE 24 HA PHE 24 -7.786 -1.330 4.454 177 1HB PHE 24 1HB PHE 24 -7.882 0.708 6.109 178 2HB PHE 24 2HB PHE 24 -7.341 -0.477 7.290 179 HD1 PHE 24 HD1 PHE 24 -5.363 -2.053 6.094 180 HD2 PHE 24 HD2 PHE 24 -6.207 2.055 5.379 181 HE1 PHE 24 HE1 PHE 24 -3.038 -1.699 5.386 182 HE2 PHE 24 HE2 PHE 24 -3.887 2.414 4.670 183 HZ PHE 24 HZ PHE 24 -2.296 0.538 4.673 184 H GLU 25 H GLU 25 -8.917 -2.222 7.707 185 HA GLU 25 HA GLU 25 -7.060 -4.291 8.124 186 1HB GLU 25 1HB GLU 25 -9.378 -4.944 9.542 187 2HB GLU 25 2HB GLU 25 -7.913 -4.203 10.155 188 1HG GLU 25 1HG GLU 25 -8.834 -1.989 9.619 189 2HG GLU 25 2HG GLU 25 -10.318 -2.757 9.061 190 HA PRO 26 HA PRO 26 -10.990 -7.268 6.905 191 1HB PRO 26 1HB PRO 26 -11.317 -5.577 4.456 192 2HB PRO 26 2HB PRO 26 -12.499 -6.615 5.261 193 1HG PRO 26 1HG PRO 26 -12.444 -3.933 5.609 194 2HG PRO 26 2HG PRO 26 -12.977 -5.054 6.872 195 1HD PRO 26 1HD PRO 26 -10.581 -3.388 6.784 196 2HD PRO 26 2HD PRO 26 -11.270 -4.283 8.147 197 H LEU 27 H LEU 27 -8.793 -5.490 4.855 198 HA LEU 27 HA LEU 27 -8.100 -7.642 3.132 199 1HB LEU 27 1HB LEU 27 -7.021 -4.930 3.795 200 2HB LEU 27 2HB LEU 27 -6.117 -6.006 2.733 201 HG LEU 27 HG LEU 27 -7.944 -6.052 1.155 202 1HD1 LEU 27 1HD1 LEU 27 -9.935 -4.671 1.440 203 2HD1 LEU 27 2HD1 LEU 27 -9.394 -4.231 3.059 204 3HD1 LEU 27 3HD1 LEU 27 -9.820 -5.903 2.696 205 1HD2 LEU 27 1HD2 LEU 27 -6.291 -4.247 1.019 206 2HD2 LEU 27 2HD2 LEU 27 -7.345 -3.238 2.011 207 3HD2 LEU 27 3HD2 LEU 27 -7.872 -3.754 0.410 208 H LEU 28 H LEU 28 -6.386 -5.936 5.701 209 HA LEU 28 HA LEU 28 -4.110 -7.455 5.942 210 1HB LEU 28 1HB LEU 28 -5.049 -5.325 7.217 211 2HB LEU 28 2HB LEU 28 -5.482 -6.517 8.422 212 HG LEU 28 HG LEU 28 -3.366 -5.447 8.953 213 1HD1 LEU 28 1HD1 LEU 28 -3.727 -7.783 9.617 214 2HD1 LEU 28 2HD1 LEU 28 -2.025 -7.422 9.329 215 3HD1 LEU 28 3HD1 LEU 28 -2.954 -8.313 8.123 216 1HD2 LEU 28 1HD2 LEU 28 -2.403 -6.586 6.332 217 2HD2 LEU 28 2HD2 LEU 28 -1.388 -5.809 7.547 218 3HD2 LEU 28 3HD2 LEU 28 -2.630 -4.879 6.711 219 H GLU 29 H GLU 29 -7.322 -8.087 7.238 220 HA GLU 29 HA GLU 29 -6.617 -10.266 8.884 221 1HB GLU 29 1HB GLU 29 -9.264 -9.620 7.579 222 2HB GLU 29 2HB GLU 29 -9.028 -10.784 8.875 223 1HG GLU 29 1HG GLU 29 -8.554 -7.816 9.041 224 2HG GLU 29 2HG GLU 29 -9.911 -8.702 9.734 225 H SER 30 H SER 30 -7.418 -9.964 5.496 226 HA SER 30 HA SER 30 -7.900 -12.684 4.936 227 1HB SER 30 1HB SER 30 -6.799 -10.591 3.049 228 2HB SER 30 2HB SER 30 -7.630 -12.082 2.604 229 HG SER 30 HG SER 30 -8.653 -9.689 3.579 230 H LEU 31 H LEU 31 -5.044 -11.069 5.769 231 HA LEU 31 HA LEU 31 -3.172 -12.573 4.257 232 1HB LEU 31 1HB LEU 31 -2.828 -11.121 6.881 233 2HB LEU 31 2HB LEU 31 -1.516 -11.753 5.905 234 HG LEU 31 HG LEU 31 -3.418 -9.546 5.109 235 1HD1 LEU 31 1HD1 LEU 31 -1.347 -8.173 5.156 236 2HD1 LEU 31 2HD1 LEU 31 -0.511 -9.540 5.894 237 3HD1 LEU 31 3HD1 LEU 31 -1.850 -8.764 6.738 238 1HD2 LEU 31 1HD2 LEU 31 -2.804 -10.839 3.164 239 2HD2 LEU 31 2HD2 LEU 31 -1.102 -10.776 3.622 240 3HD2 LEU 31 3HD2 LEU 31 -1.942 -9.299 3.147 241 H SER 32 H SER 32 -5.060 -13.287 7.018 242 HA SER 32 HA SER 32 -3.320 -15.471 7.866 243 1HB SER 32 1HB SER 32 -5.945 -14.479 9.008 244 2HB SER 32 2HB SER 32 -4.946 -15.751 9.711 245 HG SER 32 HG SER 32 -4.325 -13.006 9.414 246 H ASN 33 H ASN 33 -5.307 -15.147 5.401 247 HA ASN 33 HA ASN 33 -7.011 -17.444 5.724 248 1HB ASN 33 1HB ASN 33 -7.461 -15.341 4.300 249 2HB ASN 33 2HB ASN 33 -6.398 -16.085 3.109 250 1HD2 ASN 33 1HD2 ASN 33 -9.447 -16.250 4.735 251 2HD2 ASN 33 2HD2 ASN 33 -10.167 -17.432 3.704 252 H GLU 34 H GLU 34 -6.548 -19.491 5.242 253 HA GLU 34 HA GLU 34 -3.957 -20.351 4.657 254 1HB GLU 34 1HB GLU 34 -6.585 -21.806 4.349 255 2HB GLU 34 2HB GLU 34 -5.008 -22.575 4.253 256 1HG GLU 34 1HG GLU 34 -4.538 -21.930 6.551 257 2HG GLU 34 2HG GLU 34 -6.100 -21.120 6.652 258 H ASP 35 H ASP 35 -6.499 -19.341 2.540 259 HA ASP 35 HA ASP 35 -5.503 -20.674 0.205 260 1HB ASP 35 1HB ASP 35 -7.896 -19.867 0.582 261 2HB ASP 35 2HB ASP 35 -7.298 -18.249 0.231 262 H TRP 36 H TRP 36 -4.422 -19.742 -1.563 263 HA TRP 36 HA TRP 36 -2.653 -17.547 -0.807 264 1HB TRP 36 1HB TRP 36 -1.441 -18.241 -2.946 265 2HB TRP 36 2HB TRP 36 -1.437 -19.397 -1.619 266 HD1 TRP 36 HD1 TRP 36 -2.942 -21.614 -1.917 267 HE1 TRP 36 HE1 TRP 36 -3.813 -22.798 -4.029 268 HE3 TRP 36 HE3 TRP 36 -2.287 -17.840 -5.303 269 HZ2 TRP 36 HZ2 TRP 36 -4.171 -22.220 -6.758 270 HZ3 TRP 36 HZ3 TRP 36 -2.917 -18.241 -7.647 271 HH2 TRP 36 HH2 TRP 36 -3.839 -20.390 -8.355 272 H ARG 37 H ARG 37 -5.026 -18.394 -3.280 273 HA ARG 37 HA ARG 37 -4.635 -16.168 -4.948 274 1HB ARG 37 1HB ARG 37 -5.874 -18.172 -5.640 275 2HB ARG 37 2HB ARG 37 -7.143 -17.792 -4.483 276 1HG ARG 37 1HG ARG 37 -7.692 -15.779 -5.684 277 2HG ARG 37 2HG ARG 37 -6.353 -16.045 -6.800 278 1HD ARG 37 1HD ARG 37 -8.487 -16.721 -7.785 279 2HD ARG 37 2HD ARG 37 -7.403 -18.098 -7.589 280 HE ARG 37 HE ARG 37 -9.013 -17.950 -5.318 281 1HH1 ARG 37 1HH1 ARG 37 -9.344 -18.551 -8.732 282 2HH1 ARG 37 2HH1 ARG 37 -10.726 -19.577 -8.549 283 1HH2 ARG 37 1HH2 ARG 37 -10.837 -19.306 -5.067 284 2HH2 ARG 37 2HH2 ARG 37 -11.572 -20.009 -6.470 285 H ILE 38 H ILE 38 -6.773 -16.691 -2.174 286 HA ILE 38 HA ILE 38 -8.125 -14.207 -2.355 287 HB ILE 38 HB ILE 38 -7.692 -15.927 0.092 288 1HG1 ILE 38 1HG1 ILE 38 -10.033 -15.889 -1.826 289 2HG1 ILE 38 2HG1 ILE 38 -8.757 -17.101 -1.845 290 1HG2 ILE 38 1HG2 ILE 38 -8.407 -13.697 0.688 291 2HG2 ILE 38 2HG2 ILE 38 -9.740 -14.826 0.921 292 3HG2 ILE 38 3HG2 ILE 38 -9.717 -13.770 -0.490 293 1HD1 ILE 38 1HD1 ILE 38 -9.382 -17.773 0.425 294 2HD1 ILE 38 2HD1 ILE 38 -10.718 -17.941 -0.714 295 3HD1 ILE 38 3HD1 ILE 38 -10.680 -16.580 0.409 296 H ARG 39 H ARG 39 -5.320 -15.292 -0.474 297 HA ARG 39 HA ARG 39 -4.921 -12.898 0.953 298 1HB ARG 39 1HB ARG 39 -3.889 -15.059 1.570 299 2HB ARG 39 2HB ARG 39 -2.872 -14.971 0.138 300 1HG ARG 39 1HG ARG 39 -1.862 -12.901 1.024 301 2HG ARG 39 2HG ARG 39 -2.830 -13.090 2.488 302 1HD ARG 39 1HD ARG 39 -0.851 -15.120 1.461 303 2HD ARG 39 2HD ARG 39 -0.507 -13.932 2.717 304 HE ARG 39 HE ARG 39 -2.637 -15.156 3.741 305 1HH1 ARG 39 1HH1 ARG 39 0.220 -16.471 2.239 306 2HH1 ARG 39 2HH1 ARG 39 0.201 -17.925 3.180 307 1HH2 ARG 39 1HH2 ARG 39 -2.666 -17.064 4.989 308 2HH2 ARG 39 2HH2 ARG 39 -1.439 -18.262 4.744 309 H GLY 40 H GLY 40 -4.232 -13.805 -2.300 310 1HA GLY 40 1HA GLY 40 -2.130 -12.002 -2.862 311 2HA GLY 40 2HA GLY 40 -3.220 -12.710 -4.045 312 H ALA 41 H ALA 41 -5.568 -11.719 -3.770 313 HA ALA 41 HA ALA 41 -5.570 -9.178 -4.765 314 1HB ALA 41 1HB ALA 41 -7.725 -10.493 -3.118 315 2HB ALA 41 2HB ALA 41 -7.526 -10.585 -4.868 316 3HB ALA 41 3HB ALA 41 -7.948 -9.051 -4.108 317 H ALA 42 H ALA 42 -5.605 -10.135 -1.375 318 HA ALA 42 HA ALA 42 -6.176 -7.630 -0.245 319 1HB ALA 42 1HB ALA 42 -6.202 -9.800 0.973 320 2HB ALA 42 2HB ALA 42 -5.326 -8.522 1.815 321 3HB ALA 42 3HB ALA 42 -4.439 -9.781 0.956 322 H ALA 43 H ALA 43 -3.033 -9.219 -0.747 323 HA ALA 43 HA ALA 43 -1.437 -7.035 0.062 324 1HB ALA 43 1HB ALA 43 -0.572 -9.285 -0.006 325 2HB ALA 43 2HB ALA 43 0.385 -8.251 -1.066 326 3HB ALA 43 3HB ALA 43 -0.804 -9.357 -1.752 327 H TRP 44 H TRP 44 -2.926 -7.893 -2.974 328 HA TRP 44 HA TRP 44 -1.369 -6.211 -4.643 329 1HB TRP 44 1HB TRP 44 -3.875 -7.790 -4.943 330 2HB TRP 44 2HB TRP 44 -3.515 -6.563 -6.153 331 HD1 TRP 44 HD1 TRP 44 -1.457 -9.403 -4.459 332 HE1 TRP 44 HE1 TRP 44 -0.096 -10.586 -6.294 333 HE3 TRP 44 HE3 TRP 44 -2.954 -6.642 -8.493 334 HZ2 TRP 44 HZ2 TRP 44 0.297 -10.378 -9.078 335 HZ3 TRP 44 HZ3 TRP 44 -2.039 -7.199 -10.708 336 HH2 TRP 44 HH2 TRP 44 -0.448 -9.029 -10.994 337 H ILE 45 H ILE 45 -4.272 -5.657 -2.745 338 HA ILE 45 HA ILE 45 -4.639 -3.045 -4.036 339 HB ILE 45 HB ILE 45 -6.434 -4.433 -2.043 340 1HG1 ILE 45 1HG1 ILE 45 -6.769 -4.149 -5.036 341 2HG1 ILE 45 2HG1 ILE 45 -6.205 -5.613 -4.237 342 1HG2 ILE 45 1HG2 ILE 45 -6.620 -1.971 -2.078 343 2HG2 ILE 45 2HG2 ILE 45 -8.085 -2.771 -2.646 344 3HG2 ILE 45 3HG2 ILE 45 -6.972 -2.043 -3.805 345 1HD1 ILE 45 1HD1 ILE 45 -8.329 -5.781 -3.052 346 2HD1 ILE 45 2HD1 ILE 45 -8.558 -5.764 -4.801 347 3HD1 ILE 45 3HD1 ILE 45 -8.891 -4.315 -3.852 348 H ILE 46 H ILE 46 -3.643 -4.534 -1.075 349 HA ILE 46 HA ILE 46 -4.012 -2.396 0.692 350 HB ILE 46 HB ILE 46 -3.294 -4.891 1.106 351 1HG1 ILE 46 1HG1 ILE 46 -2.095 -2.826 2.931 352 2HG1 ILE 46 2HG1 ILE 46 -3.842 -2.954 2.715 353 1HG2 ILE 46 1HG2 ILE 46 -1.118 -4.676 -0.023 354 2HG2 ILE 46 2HG2 ILE 46 -0.955 -5.159 1.665 355 3HG2 ILE 46 3HG2 ILE 46 -0.624 -3.494 1.189 356 1HD1 ILE 46 1HD1 ILE 46 -3.834 -5.198 3.545 357 2HD1 ILE 46 2HD1 ILE 46 -2.984 -4.162 4.692 358 3HD1 ILE 46 3HD1 ILE 46 -2.072 -5.213 3.609 359 H GLY 47 H GLY 47 -1.550 -2.986 -1.707 360 1HA GLY 47 1HA GLY 47 0.389 -1.175 -0.669 361 2HA GLY 47 2HA GLY 47 0.330 -1.798 -2.310 362 H ASN 48 H ASN 48 -2.629 -0.535 -1.900 363 HA ASN 48 HA ASN 48 -2.065 1.757 -3.475 364 1HB ASN 48 1HB ASN 48 -4.542 0.759 -2.080 365 2HB ASN 48 2HB ASN 48 -4.516 2.287 -2.950 366 1HD2 ASN 48 1HD2 ASN 48 -2.674 -0.513 -3.930 367 2HD2 ASN 48 2HD2 ASN 48 -3.575 -0.854 -5.362 368 H PHE 49 H PHE 49 -2.817 1.231 -0.062 369 HA PHE 49 HA PHE 49 -2.583 4.076 0.497 370 1HB PHE 49 1HB PHE 49 -2.974 1.891 2.534 371 2HB PHE 49 2HB PHE 49 -3.430 3.589 2.650 372 HD1 PHE 49 HD1 PHE 49 -5.027 4.290 0.534 373 HD2 PHE 49 HD2 PHE 49 -4.740 0.445 2.336 374 HE1 PHE 49 HE1 PHE 49 -7.275 3.736 -0.296 375 HE2 PHE 49 HE2 PHE 49 -6.979 -0.116 1.505 376 HZ PHE 49 HZ PHE 49 -8.254 1.529 0.188 377 H GLN 50 H GLN 50 -0.705 4.960 0.921 378 HA GLN 50 HA GLN 50 1.681 3.460 1.357 379 1HB GLN 50 1HB GLN 50 1.534 6.385 1.945 380 2HB GLN 50 2HB GLN 50 2.813 5.465 1.164 381 1HG GLN 50 1HG GLN 50 1.148 5.141 -0.744 382 2HG GLN 50 2HG GLN 50 0.237 6.441 0.013 383 1HE2 GLN 50 1HE2 GLN 50 2.607 7.815 0.968 384 2HE2 GLN 50 2HE2 GLN 50 3.317 8.571 -0.414 385 H ASP 51 H ASP 51 -0.483 3.240 3.400 386 HA ASP 51 HA ASP 51 0.615 4.474 5.772 387 1HB ASP 51 1HB ASP 51 -1.841 4.180 5.431 388 2HB ASP 51 2HB ASP 51 -1.612 2.438 5.548 389 H GLU 52 H GLU 52 1.308 3.281 7.642 390 HA GLU 52 HA GLU 52 3.248 1.344 7.105 391 1HB GLU 52 1HB GLU 52 3.327 1.037 9.575 392 2HB GLU 52 2HB GLU 52 3.403 2.720 9.073 393 1HG GLU 52 1HG GLU 52 1.067 3.025 9.628 394 2HG GLU 52 2HG GLU 52 0.927 1.320 10.057 395 H ARG 53 H ARG 53 -0.122 1.026 7.998 396 HA ARG 53 HA ARG 53 -0.062 -1.720 8.687 397 1HB ARG 53 1HB ARG 53 -1.883 -0.068 9.259 398 2HB ARG 53 2HB ARG 53 -2.415 -0.175 7.587 399 1HG ARG 53 1HG ARG 53 -2.932 -2.509 7.848 400 2HG ARG 53 2HG ARG 53 -2.263 -2.509 9.482 401 1HD ARG 53 1HD ARG 53 -4.680 -0.985 8.515 402 2HD ARG 53 2HD ARG 53 -4.675 -2.385 9.588 403 HE ARG 53 HE ARG 53 -3.212 -0.733 11.018 404 1HH1 ARG 53 1HH1 ARG 53 -6.106 -0.056 9.198 405 2HH1 ARG 53 2HH1 ARG 53 -6.611 1.234 10.237 406 1HH2 ARG 53 1HH2 ARG 53 -3.872 0.965 12.391 407 2HH2 ARG 53 2HH2 ARG 53 -5.343 1.814 12.049 408 H ALA 54 H ALA 54 0.334 -0.168 5.735 409 HA ALA 54 HA ALA 54 -0.639 -2.485 4.204 410 1HB ALA 54 1HB ALA 54 -0.171 0.379 3.454 411 2HB ALA 54 2HB ALA 54 -1.645 -0.579 3.314 412 3HB ALA 54 3HB ALA 54 -0.286 -0.888 2.234 413 H VAL 55 H VAL 55 2.129 -1.147 5.473 414 HA VAL 55 HA VAL 55 3.895 -2.003 3.318 415 HB VAL 55 HB VAL 55 4.521 -0.733 5.990 416 1HG1 VAL 55 1HG1 VAL 55 6.746 -0.316 4.992 417 2HG1 VAL 55 2HG1 VAL 55 6.288 -1.334 3.628 418 3HG1 VAL 55 3HG1 VAL 55 6.401 -2.026 5.246 419 1HG2 VAL 55 1HG2 VAL 55 4.527 0.479 3.228 420 2HG2 VAL 55 2HG2 VAL 55 4.893 1.303 4.743 421 3HG2 VAL 55 3HG2 VAL 55 3.261 0.711 4.433 422 H GLU 56 H GLU 56 2.832 -3.036 6.487 423 HA GLU 56 HA GLU 56 4.903 -4.826 7.086 424 1HB GLU 56 1HB GLU 56 3.118 -4.062 8.672 425 2HB GLU 56 2HB GLU 56 2.013 -5.175 7.875 426 1HG GLU 56 1HG GLU 56 3.776 -6.969 8.403 427 2HG GLU 56 2HG GLU 56 4.421 -5.783 9.537 428 HA PRO 57 HA PRO 57 1.945 -8.256 5.004 429 1HB PRO 57 1HB PRO 57 1.125 -6.451 2.777 430 2HB PRO 57 2HB PRO 57 0.243 -7.790 3.522 431 1HG PRO 57 1HG PRO 57 -0.390 -5.266 4.080 432 2HG PRO 57 2HG PRO 57 -0.423 -6.515 5.338 433 1HD PRO 57 1HD PRO 57 1.552 -4.338 4.878 434 2HD PRO 57 2HD PRO 57 1.018 -5.080 6.398 435 H LEU 58 H LEU 58 3.167 -5.708 2.872 436 HA LEU 58 HA LEU 58 4.317 -7.307 0.938 437 1HB LEU 58 1HB LEU 58 5.006 -4.532 1.885 438 2HB LEU 58 2HB LEU 58 5.729 -5.267 0.467 439 HG LEU 58 HG LEU 58 3.546 -5.417 -0.600 440 1HD1 LEU 58 1HD1 LEU 58 1.633 -4.153 0.471 441 2HD1 LEU 58 2HD1 LEU 58 2.534 -4.302 1.979 442 3HD1 LEU 58 3HD1 LEU 58 2.009 -5.748 1.120 443 1HD2 LEU 58 1HD2 LEU 58 3.032 -2.905 -0.652 444 2HD2 LEU 58 2HD2 LEU 58 4.627 -3.444 -1.172 445 3HD2 LEU 58 3HD2 LEU 58 4.412 -2.751 0.435 446 H ILE 59 H ILE 59 5.528 -6.475 4.105 447 HA ILE 59 HA ILE 59 8.258 -6.996 3.664 448 HB ILE 59 HB ILE 59 6.629 -7.247 6.189 449 1HG1 ILE 59 1HG1 ILE 59 6.759 -4.978 5.249 450 2HG1 ILE 59 2HG1 ILE 59 7.646 -5.091 6.765 451 1HG2 ILE 59 1HG2 ILE 59 9.622 -7.336 5.842 452 2HG2 ILE 59 2HG2 ILE 59 8.585 -8.651 6.398 453 3HG2 ILE 59 3HG2 ILE 59 8.783 -7.204 7.387 454 1HD1 ILE 59 1HD1 ILE 59 9.741 -5.291 5.476 455 2HD1 ILE 59 2HD1 ILE 59 8.888 -3.774 5.189 456 3HD1 ILE 59 3HD1 ILE 59 8.814 -5.068 3.992 457 H LYS 60 H LYS 60 5.823 -9.117 5.185 458 HA LYS 60 HA LYS 60 7.502 -11.411 5.146 459 1HB LYS 60 1HB LYS 60 5.609 -11.039 6.732 460 2HB LYS 60 2HB LYS 60 4.493 -11.301 5.401 461 1HG LYS 60 1HG LYS 60 4.586 -13.338 6.554 462 2HG LYS 60 2HG LYS 60 5.583 -13.571 5.117 463 1HD LYS 60 1HD LYS 60 6.763 -14.509 6.964 464 2HD LYS 60 2HD LYS 60 7.581 -13.008 6.527 465 1HE LYS 60 1HE LYS 60 7.388 -13.156 8.930 466 2HE LYS 60 2HE LYS 60 6.360 -11.853 8.333 467 1HZ LYS 60 1HZ LYS 60 4.460 -13.359 8.483 468 2HZ LYS 60 2HZ LYS 60 5.206 -13.157 9.987 469 3HZ LYS 60 3HZ LYS 60 5.457 -14.577 9.103 470 H LEU 61 H LEU 61 5.410 -9.972 2.830 471 HA LEU 61 HA LEU 61 4.728 -12.238 1.298 472 1HB LEU 61 1HB LEU 61 4.723 -9.302 0.905 473 2HB LEU 61 2HB LEU 61 4.643 -10.297 -0.534 474 HG LEU 61 HG LEU 61 2.530 -11.047 -0.076 475 1HD1 LEU 61 1HD1 LEU 61 1.547 -10.910 2.286 476 2HD1 LEU 61 2HD1 LEU 61 3.212 -10.680 2.821 477 3HD1 LEU 61 3HD1 LEU 61 2.757 -12.153 1.968 478 1HD2 LEU 61 1HD2 LEU 61 2.770 -8.358 1.231 479 2HD2 LEU 61 2HD2 LEU 61 1.221 -9.152 0.958 480 3HD2 LEU 61 3HD2 LEU 61 2.252 -8.736 -0.411 481 H LEU 62 H LEU 62 7.304 -9.823 0.790 482 HA LEU 62 HA LEU 62 8.383 -10.819 -1.542 483 1HB LEU 62 1HB LEU 62 9.926 -9.635 0.764 484 2HB LEU 62 2HB LEU 62 10.429 -9.677 -0.916 485 HG LEU 62 HG LEU 62 7.882 -8.294 -0.181 486 1HD1 LEU 62 1HD1 LEU 62 9.484 -7.384 1.384 487 2HD1 LEU 62 2HD1 LEU 62 9.147 -6.202 0.120 488 3HD1 LEU 62 3HD1 LEU 62 10.647 -7.126 0.086 489 1HD2 LEU 62 1HD2 LEU 62 8.412 -6.956 -2.128 490 2HD2 LEU 62 2HD2 LEU 62 8.463 -8.669 -2.539 491 3HD2 LEU 62 3HD2 LEU 62 9.964 -7.775 -2.298 492 H GLU 63 H GLU 63 8.479 -12.179 1.612 493 HA GLU 63 HA GLU 63 10.599 -14.053 0.837 494 1HB GLU 63 1HB GLU 63 10.220 -12.652 3.159 495 2HB GLU 63 2HB GLU 63 9.531 -14.221 3.563 496 1HG GLU 63 1HG GLU 63 12.292 -13.762 2.474 497 2HG GLU 63 2HG GLU 63 11.896 -14.034 4.168 498 H ASP 64 H ASP 64 7.220 -13.789 1.278 499 HA ASP 64 HA ASP 64 6.534 -16.380 2.049 500 1HB ASP 64 1HB ASP 64 5.049 -14.282 1.817 501 2HB ASP 64 2HB ASP 64 4.869 -14.776 0.136 502 H ASP 65 H ASP 65 7.302 -15.052 -1.055 503 HA ASP 65 HA ASP 65 7.603 -15.962 -3.129 504 1HB ASP 65 1HB ASP 65 9.413 -17.068 -1.790 505 2HB ASP 65 2HB ASP 65 8.340 -18.447 -1.572 506 H SER 66 H SER 66 4.935 -16.205 -1.946 507 HA SER 66 HA SER 66 3.902 -18.778 -2.733 508 1HB SER 66 1HB SER 66 2.897 -17.516 -0.866 509 2HB SER 66 2HB SER 66 2.430 -16.241 -1.988 510 HG SER 66 HG SER 66 1.623 -18.818 -2.627 511 H GLY 67 H GLY 67 4.892 -16.162 -4.478 512 1HA GLY 67 1HA GLY 67 4.731 -15.924 -6.803 513 2HA GLY 67 2HA GLY 67 3.363 -17.029 -6.799 514 H PHE 68 H PHE 68 1.286 -16.206 -6.093 515 HA PHE 68 HA PHE 68 0.655 -13.686 -7.193 516 1HB PHE 68 1HB PHE 68 -0.841 -15.790 -6.695 517 2HB PHE 68 2HB PHE 68 -1.087 -15.013 -5.138 518 HD1 PHE 68 HD1 PHE 68 -1.266 -12.152 -5.937 519 HD2 PHE 68 HD2 PHE 68 -2.878 -15.656 -7.747 520 HE1 PHE 68 HE1 PHE 68 -3.087 -10.817 -6.904 521 HE2 PHE 68 HE2 PHE 68 -4.697 -14.320 -8.720 522 HZ PHE 68 HZ PHE 68 -4.804 -11.896 -8.300 523 H VAL 69 H VAL 69 0.959 -14.823 -3.859 524 HA VAL 69 HA VAL 69 0.391 -12.333 -2.630 525 HB VAL 69 HB VAL 69 2.024 -14.522 -1.371 526 1HG1 VAL 69 1HG1 VAL 69 0.152 -12.412 -0.339 527 2HG1 VAL 69 2HG1 VAL 69 1.863 -12.632 0.024 528 3HG1 VAL 69 3HG1 VAL 69 0.679 -13.784 0.636 529 1HG2 VAL 69 1HG2 VAL 69 0.133 -15.602 -2.447 530 2HG2 VAL 69 2HG2 VAL 69 -0.973 -14.447 -1.705 531 3HG2 VAL 69 3HG2 VAL 69 -0.085 -15.589 -0.697 532 H ARG 70 H ARG 70 3.432 -14.017 -3.374 533 HA ARG 70 HA ARG 70 5.150 -12.111 -2.200 534 1HB ARG 70 1HB ARG 70 5.695 -14.500 -2.926 535 2HB ARG 70 2HB ARG 70 5.860 -13.858 -4.554 536 1HG ARG 70 1HG ARG 70 7.426 -12.732 -2.256 537 2HG ARG 70 2HG ARG 70 7.975 -14.146 -3.154 538 1HD ARG 70 1HD ARG 70 7.490 -11.368 -4.210 539 2HD ARG 70 2HD ARG 70 9.028 -12.224 -4.099 540 HE ARG 70 HE ARG 70 6.952 -12.604 -6.097 541 1HH1 ARG 70 1HH1 ARG 70 9.924 -13.747 -4.681 542 2HH1 ARG 70 2HH1 ARG 70 10.370 -14.689 -6.064 543 1HH2 ARG 70 1HH2 ARG 70 7.531 -13.841 -7.920 544 2HH2 ARG 70 2HH2 ARG 70 9.009 -14.741 -7.906 545 H SER 71 H SER 71 4.544 -12.681 -5.674 546 HA SER 71 HA SER 71 5.814 -10.420 -6.646 547 1HB SER 71 1HB SER 71 3.363 -11.768 -7.805 548 2HB SER 71 2HB SER 71 4.472 -10.709 -8.678 549 HG SER 71 HG SER 71 4.667 -13.284 -8.444 550 H GLY 72 H GLY 72 2.656 -10.754 -5.207 551 1HA GLY 72 1HA GLY 72 1.453 -8.389 -6.087 552 2HA GLY 72 2HA GLY 72 1.099 -9.197 -4.567 553 H ALA 73 H ALA 73 3.633 -8.954 -3.364 554 HA ALA 73 HA ALA 73 3.429 -6.350 -2.291 555 1HB ALA 73 1HB ALA 73 4.239 -8.216 -0.966 556 2HB ALA 73 2HB ALA 73 5.442 -6.927 -1.016 557 3HB ALA 73 3HB ALA 73 5.649 -8.368 -2.013 558 H ALA 74 H ALA 74 5.612 -7.812 -4.641 559 HA ALA 74 HA ALA 74 7.559 -5.885 -4.862 560 1HB ALA 74 1HB ALA 74 7.929 -6.667 -7.124 561 2HB ALA 74 2HB ALA 74 6.331 -7.410 -7.157 562 3HB ALA 74 3HB ALA 74 7.570 -8.033 -6.067 563 H ARG 75 H ARG 75 4.523 -6.015 -6.735 564 HA ARG 75 HA ARG 75 4.920 -3.504 -7.988 565 1HB ARG 75 1HB ARG 75 2.473 -3.692 -8.542 566 2HB ARG 75 2HB ARG 75 3.455 -5.062 -9.046 567 1HG ARG 75 1HG ARG 75 2.605 -6.437 -7.341 568 2HG ARG 75 2HG ARG 75 1.928 -5.065 -6.462 569 1HD ARG 75 1HD ARG 75 0.311 -6.541 -7.778 570 2HD ARG 75 2HD ARG 75 0.182 -4.792 -7.994 571 HE ARG 75 HE ARG 75 1.461 -6.633 -9.915 572 1HH1 ARG 75 1HH1 ARG 75 -0.215 -3.671 -9.163 573 2HH1 ARG 75 2HH1 ARG 75 -0.391 -3.200 -10.820 574 1HH2 ARG 75 1HH2 ARG 75 1.232 -6.013 -12.100 575 2HH2 ARG 75 2HH2 ARG 75 0.425 -4.530 -12.484 576 H SER 76 H SER 76 3.083 -4.527 -5.152 577 HA SER 76 HA SER 76 1.795 -2.118 -4.588 578 1HB SER 76 1HB SER 76 2.718 -4.324 -2.742 579 2HB SER 76 2HB SER 76 1.648 -3.011 -2.252 580 HG SER 76 HG SER 76 0.139 -3.737 -3.762 581 H LEU 77 H LEU 77 5.066 -3.148 -3.933 582 HA LEU 77 HA LEU 77 5.664 -1.138 -2.004 583 1HB LEU 77 1HB LEU 77 7.376 -2.918 -3.723 584 2HB LEU 77 2HB LEU 77 8.069 -1.734 -2.631 585 HG LEU 77 HG LEU 77 6.204 -3.920 -1.721 586 1HD1 LEU 77 1HD1 LEU 77 8.208 -4.913 -2.689 587 2HD1 LEU 77 2HD1 LEU 77 8.173 -5.103 -0.936 588 3HD1 LEU 77 3HD1 LEU 77 9.212 -3.883 -1.669 589 1HD2 LEU 77 1HD2 LEU 77 6.424 -1.900 -0.289 590 2HD2 LEU 77 2HD2 LEU 77 8.151 -2.232 -0.166 591 3HD2 LEU 77 3HD2 LEU 77 6.985 -3.386 0.477 592 H GLU 78 H GLU 78 6.781 -1.481 -5.386 593 HA GLU 78 HA GLU 78 7.804 1.106 -5.631 594 1HB GLU 78 1HB GLU 78 8.325 -0.674 -7.225 595 2HB GLU 78 2HB GLU 78 6.654 -0.702 -7.769 596 1HG GLU 78 1HG GLU 78 6.884 1.565 -8.630 597 2HG GLU 78 2HG GLU 78 8.552 1.617 -8.061 598 H GLN 79 H GLN 79 4.583 -0.062 -5.650 599 HA GLN 79 HA GLN 79 3.224 1.856 -7.137 600 1HB GLN 79 1HB GLN 79 2.362 -0.296 -6.033 601 2HB GLN 79 2HB GLN 79 2.175 0.666 -4.576 602 1HG GLN 79 1HG GLN 79 0.537 2.039 -5.579 603 2HG GLN 79 2HG GLN 79 0.890 1.401 -7.186 604 1HE2 GLN 79 1HE2 GLN 79 0.763 -0.650 -4.391 605 2HE2 GLN 79 2HE2 GLN 79 -0.697 -1.470 -4.803 606 H ILE 80 H ILE 80 4.384 1.924 -3.816 607 HA ILE 80 HA ILE 80 3.129 4.376 -3.098 608 HB ILE 80 HB ILE 80 5.600 3.167 -1.857 609 1HG1 ILE 80 1HG1 ILE 80 3.830 1.480 -1.962 610 2HG1 ILE 80 2HG1 ILE 80 4.077 2.015 -0.303 611 1HG2 ILE 80 1HG2 ILE 80 4.810 4.318 0.172 612 2HG2 ILE 80 2HG2 ILE 80 3.497 5.027 -0.766 613 3HG2 ILE 80 3HG2 ILE 80 5.169 5.436 -1.144 614 1HD1 ILE 80 1HD1 ILE 80 1.738 1.800 -0.692 615 2HD1 ILE 80 2HD1 ILE 80 1.836 2.786 -2.151 616 3HD1 ILE 80 3HD1 ILE 80 2.115 3.519 -0.572 617 H GLY 81 H GLY 81 6.566 3.606 -3.692 618 1HA GLY 81 1HA GLY 81 8.241 4.855 -4.649 619 2HA GLY 81 2HA GLY 81 6.995 5.899 -5.319 620 H GLY 82 H GLY 82 8.908 5.230 -2.432 621 1HA GLY 82 1HA GLY 82 9.413 7.963 -1.937 622 2HA GLY 82 2HA GLY 82 8.120 7.414 -0.882 623 H GLU 83 H GLU 83 10.118 8.253 0.491 624 HA GLU 83 HA GLU 83 12.304 6.530 0.899 625 1HB GLU 83 1HB GLU 83 12.311 8.843 1.668 626 2HB GLU 83 2HB GLU 83 11.001 8.500 2.786 627 1HG GLU 83 1HG GLU 83 12.444 7.004 4.047 628 2HG GLU 83 2HG GLU 83 13.757 7.292 2.907 629 H ARG 84 H ARG 84 9.017 6.336 1.886 630 HA ARG 84 HA ARG 84 9.282 4.778 4.202 631 1HB ARG 84 1HB ARG 84 6.915 3.952 3.481 632 2HB ARG 84 2HB ARG 84 7.149 5.624 3.960 633 1HG ARG 84 1HG ARG 84 7.445 5.019 1.080 634 2HG ARG 84 2HG ARG 84 5.819 4.908 1.760 635 1HD ARG 84 1HD ARG 84 7.647 7.298 1.988 636 2HD ARG 84 2HD ARG 84 6.316 7.140 0.843 637 HE ARG 84 HE ARG 84 5.286 6.708 3.393 638 1HH1 ARG 84 1HH1 ARG 84 6.759 9.292 1.578 639 2HH1 ARG 84 2HH1 ARG 84 5.922 10.544 2.435 640 1HH2 ARG 84 1HH2 ARG 84 4.184 8.348 4.527 641 2HH2 ARG 84 2HH2 ARG 84 4.457 10.006 4.109 642 H VAL 85 H VAL 85 8.458 3.674 0.913 643 HA VAL 85 HA VAL 85 8.818 0.932 1.552 644 HB VAL 85 HB VAL 85 8.684 2.360 -1.106 645 1HG1 VAL 85 1HG1 VAL 85 8.255 0.106 -2.065 646 2HG1 VAL 85 2HG1 VAL 85 8.732 -0.594 -0.518 647 3HG1 VAL 85 3HG1 VAL 85 9.899 0.325 -1.467 648 1HG2 VAL 85 1HG2 VAL 85 6.661 0.734 0.427 649 2HG2 VAL 85 2HG2 VAL 85 6.424 1.391 -1.192 650 3HG2 VAL 85 3HG2 VAL 85 6.637 2.480 0.179 651 H ARG 86 H ARG 86 10.933 3.480 0.594 652 HA ARG 86 HA ARG 86 13.000 2.073 -0.633 653 1HB ARG 86 1HB ARG 86 12.690 4.611 -0.313 654 2HB ARG 86 2HB ARG 86 13.492 4.379 1.234 655 1HG ARG 86 1HG ARG 86 14.806 3.307 -1.204 656 2HG ARG 86 2HG ARG 86 14.825 5.050 -0.932 657 1HD ARG 86 1HD ARG 86 15.838 4.709 1.257 658 2HD ARG 86 2HD ARG 86 15.784 2.963 1.023 659 HE ARG 86 HE ARG 86 17.228 3.678 -1.075 660 1HH1 ARG 86 1HH1 ARG 86 17.424 4.750 2.233 661 2HH1 ARG 86 2HH1 ARG 86 19.127 5.066 2.165 662 1HH2 ARG 86 1HH2 ARG 86 19.467 4.090 -1.176 663 2HH2 ARG 86 2HH2 ARG 86 20.287 4.692 0.226 664 H ALA 87 H ALA 87 12.078 2.224 2.716 665 HA ALA 87 HA ALA 87 14.574 1.148 3.692 666 1HB ALA 87 1HB ALA 87 11.938 1.579 5.094 667 2HB ALA 87 2HB ALA 87 13.315 2.681 5.094 668 3HB ALA 87 3HB ALA 87 13.447 1.104 5.874 669 H ALA 88 H ALA 88 11.405 -0.038 2.794 670 HA ALA 88 HA ALA 88 11.643 -2.605 3.978 671 1HB ALA 88 1HB ALA 88 9.950 -1.784 1.619 672 2HB ALA 88 2HB ALA 88 9.486 -1.601 3.311 673 3HB ALA 88 3HB ALA 88 9.727 -3.211 2.631 674 H MET 89 H MET 89 12.562 -1.227 0.888 675 HA MET 89 HA MET 89 13.205 -3.694 -0.374 676 1HB MET 89 1HB MET 89 14.227 -0.922 -1.003 677 2HB MET 89 2HB MET 89 14.305 -2.318 -2.058 678 1HG MET 89 1HG MET 89 11.812 -0.942 -1.110 679 2HG MET 89 2HG MET 89 12.514 -0.867 -2.720 680 1HE MET 89 1HE MET 89 9.776 -3.066 -4.036 681 2HE MET 89 2HE MET 89 11.088 -1.971 -4.474 682 3HE MET 89 3HE MET 89 9.862 -1.457 -3.317 683 H GLU 90 H GLU 90 15.138 -1.183 1.223 684 HA GLU 90 HA GLU 90 17.645 -2.367 0.903 685 1HB GLU 90 1HB GLU 90 16.599 -0.632 3.148 686 2HB GLU 90 2HB GLU 90 18.291 -1.066 2.951 687 1HG GLU 90 1HG GLU 90 18.348 0.063 0.800 688 2HG GLU 90 2HG GLU 90 16.640 0.471 0.959 689 H LYS 91 H LYS 91 15.040 -3.049 3.106 690 HA LYS 91 HA LYS 91 16.603 -4.758 4.823 691 1HB LYS 91 1HB LYS 91 14.680 -3.562 5.727 692 2HB LYS 91 2HB LYS 91 13.615 -4.362 4.581 693 1HG LYS 91 1HG LYS 91 13.404 -5.359 6.771 694 2HG LYS 91 2HG LYS 91 14.104 -6.516 5.638 695 1HD LYS 91 1HD LYS 91 16.312 -6.115 6.523 696 2HD LYS 91 2HD LYS 91 15.698 -4.834 7.569 697 1HE LYS 91 1HE LYS 91 14.378 -6.435 8.813 698 2HE LYS 91 2HE LYS 91 14.862 -7.728 7.717 699 1HZ LYS 91 1HZ LYS 91 16.697 -6.194 9.479 700 2HZ LYS 91 2HZ LYS 91 17.140 -7.462 8.453 701 3HZ LYS 91 3HZ LYS 91 16.134 -7.762 9.777 702 H LEU 92 H LEU 92 14.537 -5.141 2.016 703 HA LEU 92 HA LEU 92 14.443 -8.010 2.253 704 1HB LEU 92 1HB LEU 92 12.572 -7.479 1.135 705 2HB LEU 92 2HB LEU 92 13.214 -5.933 0.611 706 HG LEU 92 HG LEU 92 14.498 -7.234 -1.162 707 1HD1 LEU 92 1HD1 LEU 92 14.191 -9.451 -0.075 708 2HD1 LEU 92 2HD1 LEU 92 13.687 -9.413 -1.764 709 3HD1 LEU 92 3HD1 LEU 92 12.478 -9.367 -0.482 710 1HD2 LEU 92 1HD2 LEU 92 12.779 -6.935 -2.665 711 2HD2 LEU 92 2HD2 LEU 92 12.241 -5.929 -1.322 712 3HD2 LEU 92 3HD2 LEU 92 11.556 -7.538 -1.550 713 H ALA 93 H ALA 93 16.431 -5.611 0.771 714 HA ALA 93 HA ALA 93 17.691 -7.215 -1.187 715 1HB ALA 93 1HB ALA 93 17.756 -4.758 -1.215 716 2HB ALA 93 2HB ALA 93 19.373 -5.460 -1.276 717 3HB ALA 93 3HB ALA 93 18.764 -4.776 0.232 718 H GLU 94 H GLU 94 17.996 -6.983 2.229 719 HA GLU 94 HA GLU 94 20.642 -8.119 2.372 720 1HB GLU 94 1HB GLU 94 18.537 -7.751 4.516 721 2HB GLU 94 2HB GLU 94 20.202 -8.236 4.802 722 1HG GLU 94 1HG GLU 94 20.987 -6.102 3.935 723 2HG GLU 94 2HG GLU 94 19.324 -5.615 3.608 724 H THR 95 H THR 95 17.366 -9.204 2.292 725 HA THR 95 HA THR 95 18.266 -11.998 2.609 726 HB THR 95 HB THR 95 15.904 -12.520 3.244 727 HG1 THR 95 HG1 THR 95 15.067 -10.165 4.063 728 1HG2 THR 95 1HG2 THR 95 17.557 -12.257 4.998 729 2HG2 THR 95 2HG2 THR 95 16.029 -11.552 5.524 730 3HG2 THR 95 3HG2 THR 95 17.342 -10.507 4.981 731 H GLY 96 H GLY 96 18.163 -10.174 0.267 732 1HA GLY 96 1HA GLY 96 16.021 -10.672 -1.430 733 2HA GLY 96 2HA GLY 96 17.648 -10.277 -1.954 734 H THR 97 H THR 97 15.253 -12.453 -2.241 735 HA THR 97 HA THR 97 17.080 -14.461 -3.318 736 HB THR 97 HB THR 97 16.642 -15.367 -1.139 737 HG1 THR 97 HG1 THR 97 16.572 -17.033 -2.535 738 1HG2 THR 97 1HG2 THR 97 13.725 -14.895 -1.759 739 2HG2 THR 97 2HG2 THR 97 14.684 -14.122 -0.496 740 3HG2 THR 97 3HG2 THR 97 14.313 -15.843 -0.393 741 H GLY 98 H GLY 98 16.425 -15.197 -5.242 742 1HA GLY 98 1HA GLY 98 15.039 -15.737 -7.007 743 2HA GLY 98 2HA GLY 98 13.665 -15.497 -5.941 744 H PHE 99 H PHE 99 12.323 -14.131 -6.898 745 HA PHE 99 HA PHE 99 13.318 -11.978 -8.571 746 1HB PHE 99 1HB PHE 99 11.463 -13.040 -9.525 747 2HB PHE 99 2HB PHE 99 10.605 -13.133 -7.994 748 HD1 PHE 99 HD1 PHE 99 11.832 -10.677 -10.508 749 HD2 PHE 99 HD2 PHE 99 8.959 -11.590 -7.505 750 HE1 PHE 99 HE1 PHE 99 10.572 -8.650 -11.102 751 HE2 PHE 99 HE2 PHE 99 7.693 -9.566 -8.092 752 HZ PHE 99 HZ PHE 99 8.499 -8.092 -9.894 753 H ALA 100 H ALA 100 12.035 -12.419 -5.377 754 HA ALA 100 HA ALA 100 11.025 -9.914 -4.775 755 1HB ALA 100 1HB ALA 100 11.462 -10.427 -2.459 756 2HB ALA 100 2HB ALA 100 12.627 -11.668 -2.920 757 3HB ALA 100 3HB ALA 100 10.917 -11.884 -3.290 758 H ARG 101 H ARG 101 14.376 -10.990 -4.878 759 HA ARG 101 HA ARG 101 15.531 -8.709 -3.673 760 1HB ARG 101 1HB ARG 101 16.695 -10.855 -3.902 761 2HB ARG 101 2HB ARG 101 16.704 -10.652 -5.647 762 1HG ARG 101 1HG ARG 101 18.288 -8.954 -5.573 763 2HG ARG 101 2HG ARG 101 17.978 -8.615 -3.869 764 1HD ARG 101 1HD ARG 101 20.130 -9.803 -4.315 765 2HD ARG 101 2HD ARG 101 19.051 -10.630 -3.192 766 HE ARG 101 HE ARG 101 18.550 -11.612 -5.759 767 1HH1 ARG 101 1HH1 ARG 101 21.114 -11.606 -3.398 768 2HH1 ARG 101 2HH1 ARG 101 21.760 -13.130 -3.907 769 1HH2 ARG 101 1HH2 ARG 101 19.390 -13.620 -6.432 770 2HH2 ARG 101 2HH2 ARG 101 20.780 -14.276 -5.632 771 H LYS 102 H LYS 102 15.447 -9.660 -7.110 772 HA LYS 102 HA LYS 102 16.567 -7.461 -8.272 773 1HB LYS 102 1HB LYS 102 15.905 -9.427 -9.537 774 2HB LYS 102 2HB LYS 102 14.206 -9.080 -9.245 775 1HG LYS 102 1HG LYS 102 14.527 -6.936 -10.506 776 2HG LYS 102 2HG LYS 102 16.132 -7.522 -10.946 777 1HD LYS 102 1HD LYS 102 15.163 -9.452 -12.043 778 2HD LYS 102 2HD LYS 102 13.547 -8.964 -11.527 779 1HE LYS 102 1HE LYS 102 13.892 -8.345 -13.838 780 2HE LYS 102 2HE LYS 102 13.780 -6.897 -12.840 781 1HZ LYS 102 1HZ LYS 102 15.576 -6.721 -14.438 782 2HZ LYS 102 2HZ LYS 102 16.296 -8.125 -13.830 783 3HZ LYS 102 3HZ LYS 102 16.194 -6.742 -12.862 784 H VAL 103 H VAL 103 13.519 -7.691 -6.702 785 HA VAL 103 HA VAL 103 12.285 -5.397 -7.841 786 HB VAL 103 HB VAL 103 11.772 -6.987 -5.338 787 1HG1 VAL 103 1HG1 VAL 103 11.036 -4.729 -4.869 788 2HG1 VAL 103 2HG1 VAL 103 9.628 -5.750 -5.158 789 3HG1 VAL 103 3HG1 VAL 103 10.189 -4.648 -6.413 790 1HG2 VAL 103 1HG2 VAL 103 9.806 -7.758 -6.557 791 2HG2 VAL 103 2HG2 VAL 103 11.282 -8.084 -7.466 792 3HG2 VAL 103 3HG2 VAL 103 10.243 -6.735 -7.926 793 H ALA 104 H ALA 104 13.645 -5.935 -4.583 794 HA ALA 104 HA ALA 104 13.468 -3.326 -3.654 795 1HB ALA 104 1HB ALA 104 15.403 -4.065 -2.137 796 2HB ALA 104 2HB ALA 104 15.241 -5.626 -2.943 797 3HB ALA 104 3HB ALA 104 13.881 -4.948 -2.052 798 H VAL 105 H VAL 105 16.269 -4.913 -5.120 799 HA VAL 105 HA VAL 105 18.046 -2.753 -4.908 800 HB VAL 105 HB VAL 105 18.163 -4.896 -7.024 801 1HG1 VAL 105 1HG1 VAL 105 19.749 -3.014 -7.238 802 2HG1 VAL 105 2HG1 VAL 105 20.552 -4.553 -6.924 803 3HG1 VAL 105 3HG1 VAL 105 20.361 -3.378 -5.624 804 1HG2 VAL 105 1HG2 VAL 105 19.487 -6.193 -5.383 805 2HG2 VAL 105 2HG2 VAL 105 17.801 -5.989 -4.906 806 3HG2 VAL 105 3HG2 VAL 105 19.057 -5.011 -4.146 807 H ASN 106 H ASN 106 16.531 -3.958 -7.912 808 HA ASN 106 HA ASN 106 17.342 -1.864 -9.537 809 1HB ASN 106 1HB ASN 106 14.921 -3.651 -9.740 810 2HB ASN 106 2HB ASN 106 15.416 -2.540 -11.012 811 1HD2 ASN 106 1HD2 ASN 106 17.228 -2.994 -12.232 812 2HD2 ASN 106 2HD2 ASN 106 18.017 -4.531 -12.194 813 H TYR 107 H TYR 107 14.453 -2.064 -7.490 814 HA TYR 107 HA TYR 107 13.099 0.139 -8.575 815 1HB TYR 107 1HB TYR 107 11.832 -1.324 -7.251 816 2HB TYR 107 2HB TYR 107 13.003 -1.290 -5.941 817 HD1 TYR 107 HD1 TYR 107 12.563 -0.055 -4.123 818 HD2 TYR 107 HD2 TYR 107 10.715 1.046 -7.770 819 HE1 TYR 107 HE1 TYR 107 11.311 1.697 -2.936 820 HE2 TYR 107 HE2 TYR 107 9.446 2.804 -6.610 821 HH TYR 107 HH TYR 107 10.183 3.825 -3.460 822 H LEU 108 H LEU 108 15.660 -0.137 -6.228 823 HA LEU 108 HA LEU 108 15.494 2.346 -4.983 824 1HB LEU 108 1HB LEU 108 17.812 0.539 -5.596 825 2HB LEU 108 2HB LEU 108 18.025 2.043 -4.731 826 HG LEU 108 HG LEU 108 16.163 -0.131 -3.799 827 1HD1 LEU 108 1HD1 LEU 108 18.492 -0.942 -3.912 828 2HD1 LEU 108 2HD1 LEU 108 17.888 -0.822 -2.260 829 3HD1 LEU 108 3HD1 LEU 108 18.985 0.408 -2.889 830 1HD2 LEU 108 1HD2 LEU 108 15.711 2.127 -2.951 831 2HD2 LEU 108 2HD2 LEU 108 17.375 2.234 -2.375 832 3HD2 LEU 108 3HD2 LEU 108 16.276 1.047 -1.676 833 H GLU 109 H GLU 109 16.130 1.686 -8.227 834 HA GLU 109 HA GLU 109 17.959 3.762 -8.833 835 1HB GLU 109 1HB GLU 109 17.483 1.802 -10.298 836 2HB GLU 109 2HB GLU 109 15.906 2.495 -10.653 837 1HG GLU 109 1HG GLU 109 16.986 4.450 -11.640 838 2HG GLU 109 2HG GLU 109 18.566 3.752 -11.283 839 H THR 110 H THR 110 14.724 3.843 -7.889 840 HA THR 110 HA THR 110 14.346 6.504 -9.096 841 HB THR 110 HB THR 110 11.916 6.170 -8.753 842 HG1 THR 110 HG1 THR 110 12.252 3.428 -8.389 843 1HG2 THR 110 1HG2 THR 110 12.833 5.653 -10.924 844 2HG2 THR 110 2HG2 THR 110 11.618 4.440 -10.518 845 3HG2 THR 110 3HG2 THR 110 13.333 4.055 -10.375 846 H HIS 111 H HIS 111 13.211 4.701 -6.228 847 HA HIS 111 HA HIS 111 13.869 7.053 -4.590 848 1HB HIS 111 1HB HIS 111 11.314 5.438 -4.497 849 2HB HIS 111 2HB HIS 111 11.791 6.586 -3.250 850 HD1 HIS 111 HD1 HIS 111 11.124 8.959 -3.611 851 HD2 HIS 111 HD2 HIS 111 10.895 6.713 -7.100 852 HE1 HIS 111 HE1 HIS 111 10.055 10.470 -5.315 853 HE2 HIS 111 HE2 HIS 111 9.989 9.113 -7.436 Start of MODEL 9 1 H MET 1 H MET 1 -26.691 11.982 14.684 2 HA MET 1 HA MET 1 -26.801 10.132 13.195 3 1HB MET 1 1HB MET 1 -28.499 10.327 14.981 4 2HB MET 1 2HB MET 1 -29.559 11.181 13.869 5 1HG MET 1 1HG MET 1 -29.652 9.199 12.439 6 2HG MET 1 2HG MET 1 -28.603 8.343 13.567 7 1HE MET 1 1HE MET 1 -31.445 7.244 12.582 8 2HE MET 1 2HE MET 1 -32.105 6.632 14.098 9 3HE MET 1 3HE MET 1 -30.407 6.367 13.706 10 H ALA 2 H ALA 2 -26.799 9.545 11.139 11 HA ALA 2 HA ALA 2 -27.157 9.504 8.896 12 1HB ALA 2 1HB ALA 2 -29.358 10.096 8.054 13 2HB ALA 2 2HB ALA 2 -29.732 10.921 9.567 14 3HB ALA 2 3HB ALA 2 -29.496 9.173 9.551 15 H ASP 3 H ASP 3 -26.133 12.012 10.422 16 HA ASP 3 HA ASP 3 -26.374 13.898 8.172 17 1HB ASP 3 1HB ASP 3 -25.769 14.398 11.092 18 2HB ASP 3 2HB ASP 3 -25.642 15.632 9.842 19 H GLU 4 H GLU 4 -24.083 12.677 10.600 20 HA GLU 4 HA GLU 4 -21.836 13.658 9.036 21 1HB GLU 4 1HB GLU 4 -21.754 13.917 11.459 22 2HB GLU 4 2HB GLU 4 -21.939 12.181 11.673 23 1HG GLU 4 1HG GLU 4 -19.789 11.805 10.600 24 2HG GLU 4 2HG GLU 4 -19.606 13.540 10.342 25 H ASN 5 H ASN 5 -23.258 10.580 10.039 26 HA ASN 5 HA ASN 5 -21.232 9.023 8.711 27 1HB ASN 5 1HB ASN 5 -23.895 8.173 9.869 28 2HB ASN 5 2HB ASN 5 -22.608 7.089 9.347 29 1HD2 ASN 5 1HD2 ASN 5 -23.855 7.429 11.971 30 2HD2 ASN 5 2HD2 ASN 5 -22.567 7.792 13.062 31 H LYS 6 H LYS 6 -21.194 9.350 6.551 32 HA LYS 6 HA LYS 6 -23.107 8.065 4.927 33 1HB LYS 6 1HB LYS 6 -24.449 10.069 5.417 34 2HB LYS 6 2HB LYS 6 -23.151 11.087 4.808 35 1HG LYS 6 1HG LYS 6 -23.425 10.155 2.587 36 2HG LYS 6 2HG LYS 6 -24.677 9.063 3.182 37 1HD LYS 6 1HD LYS 6 -26.060 10.995 3.791 38 2HD LYS 6 2HD LYS 6 -24.810 12.079 3.179 39 1HE LYS 6 1HE LYS 6 -26.392 10.066 1.586 40 2HE LYS 6 2HE LYS 6 -26.557 11.820 1.526 41 1HZ LYS 6 1HZ LYS 6 -24.131 10.295 0.743 42 2HZ LYS 6 2HZ LYS 6 -24.314 11.974 0.657 43 3HZ LYS 6 3HZ LYS 6 -25.254 10.971 -0.329 44 H TRP 7 H TRP 7 -20.704 10.676 4.988 45 HA TRP 7 HA TRP 7 -19.646 9.752 2.422 46 1HB TRP 7 1HB TRP 7 -18.378 11.823 2.375 47 2HB TRP 7 2HB TRP 7 -20.066 12.174 2.726 48 HD1 TRP 7 HD1 TRP 7 -20.545 12.463 5.540 49 HE1 TRP 7 HE1 TRP 7 -19.115 13.806 7.206 50 HE3 TRP 7 HE3 TRP 7 -16.182 12.660 2.886 51 HZ2 TRP 7 HZ2 TRP 7 -16.484 14.817 7.371 52 HZ3 TRP 7 HZ3 TRP 7 -14.256 13.835 3.867 53 HH2 TRP 7 HH2 TRP 7 -14.406 14.892 6.064 54 H VAL 8 H VAL 8 -19.309 8.645 5.332 55 HA VAL 8 HA VAL 8 -16.588 8.803 6.019 56 HB VAL 8 HB VAL 8 -18.509 6.526 6.543 57 1HG1 VAL 8 1HG1 VAL 8 -16.196 5.865 6.897 58 2HG1 VAL 8 2HG1 VAL 8 -17.039 6.008 8.438 59 3HG1 VAL 8 3HG1 VAL 8 -15.932 7.278 7.919 60 1HG2 VAL 8 1HG2 VAL 8 -19.265 8.777 7.325 61 2HG2 VAL 8 2HG2 VAL 8 -17.825 8.845 8.341 62 3HG2 VAL 8 3HG2 VAL 8 -19.037 7.594 8.613 63 H ARG 9 H ARG 9 -18.345 6.621 3.879 64 HA ARG 9 HA ARG 9 -15.788 5.384 3.118 65 1HB ARG 9 1HB ARG 9 -18.576 4.296 2.685 66 2HB ARG 9 2HB ARG 9 -17.064 3.462 2.349 67 1HG ARG 9 1HG ARG 9 -16.548 3.297 4.667 68 2HG ARG 9 2HG ARG 9 -17.887 4.364 5.097 69 1HD ARG 9 1HD ARG 9 -19.441 2.654 4.126 70 2HD ARG 9 2HD ARG 9 -18.052 1.579 3.956 71 HE ARG 9 HE ARG 9 -17.887 2.125 6.529 72 1HH1 ARG 9 1HH1 ARG 9 -20.720 1.423 4.625 73 2HH1 ARG 9 2HH1 ARG 9 -21.582 0.702 5.944 74 1HH2 ARG 9 1HH2 ARG 9 -19.015 1.180 8.267 75 2HH2 ARG 9 2HH2 ARG 9 -20.613 0.563 8.012 76 H ARG 10 H ARG 10 -18.950 5.968 1.577 77 HA ARG 10 HA ARG 10 -18.046 6.057 -1.036 78 1HB ARG 10 1HB ARG 10 -20.324 7.603 0.225 79 2HB ARG 10 2HB ARG 10 -20.078 7.428 -1.508 80 1HG ARG 10 1HG ARG 10 -20.303 4.980 -1.255 81 2HG ARG 10 2HG ARG 10 -20.651 5.220 0.458 82 1HD ARG 10 1HD ARG 10 -22.256 6.431 -1.789 83 2HD ARG 10 2HD ARG 10 -22.677 4.931 -0.964 84 HE ARG 10 HE ARG 10 -22.319 7.055 0.887 85 1HH1 ARG 10 1HH1 ARG 10 -24.567 5.774 -1.453 86 2HH1 ARG 10 2HH1 ARG 10 -25.959 6.440 -0.667 87 1HH2 ARG 10 1HH2 ARG 10 -24.146 7.935 1.921 88 2HH2 ARG 10 2HH2 ARG 10 -25.720 7.672 1.247 89 H ASP 11 H ASP 11 -17.562 7.811 -2.451 90 HA ASP 11 HA ASP 11 -16.722 9.836 -3.084 91 1HB ASP 11 1HB ASP 11 -17.224 10.647 -0.216 92 2HB ASP 11 2HB ASP 11 -16.672 11.736 -1.484 93 H VAL 12 H VAL 12 -15.529 8.502 -0.034 94 HA VAL 12 HA VAL 12 -12.970 9.723 -0.173 95 HB VAL 12 HB VAL 12 -13.753 7.194 1.285 96 1HG1 VAL 12 1HG1 VAL 12 -11.816 7.542 2.644 97 2HG1 VAL 12 2HG1 VAL 12 -11.472 9.082 1.856 98 3HG1 VAL 12 3HG1 VAL 12 -11.302 7.573 0.957 99 1HG2 VAL 12 1HG2 VAL 12 -14.067 8.634 3.232 100 2HG2 VAL 12 2HG2 VAL 12 -15.154 9.097 1.921 101 3HG2 VAL 12 3HG2 VAL 12 -13.709 10.054 2.249 102 H SER 13 H SER 13 -13.512 6.205 -0.303 103 HA SER 13 HA SER 13 -12.319 5.864 -2.856 104 1HB SER 13 1HB SER 13 -10.297 6.508 -1.567 105 2HB SER 13 2HB SER 13 -10.572 5.138 -0.491 106 HG SER 13 HG SER 13 -9.058 4.839 -2.322 107 H THR 14 H THR 14 -11.546 3.440 -3.051 108 HA THR 14 HA THR 14 -13.451 1.728 -1.587 109 HB THR 14 HB THR 14 -13.860 0.451 -3.609 110 HG1 THR 14 HG1 THR 14 -12.398 2.332 -5.130 111 1HG2 THR 14 1HG2 THR 14 -14.154 3.396 -4.210 112 2HG2 THR 14 2HG2 THR 14 -15.248 2.462 -3.191 113 3HG2 THR 14 3HG2 THR 14 -15.098 2.080 -4.906 114 H ALA 15 H ALA 15 -12.381 0.174 -0.460 115 HA ALA 15 HA ALA 15 -9.647 -0.450 -1.275 116 1HB ALA 15 1HB ALA 15 -9.696 0.073 0.987 117 2HB ALA 15 2HB ALA 15 -9.654 -1.691 0.970 118 3HB ALA 15 3HB ALA 15 -11.174 -0.846 1.264 119 H LEU 16 H LEU 16 -12.140 -2.555 0.217 120 HA LEU 16 HA LEU 16 -11.196 -4.704 -1.510 121 1HB LEU 16 1HB LEU 16 -11.475 -5.157 0.872 122 2HB LEU 16 2HB LEU 16 -13.171 -4.727 0.769 123 HG LEU 16 HG LEU 16 -13.577 -6.659 -0.697 124 1HD1 LEU 16 1HD1 LEU 16 -11.398 -6.815 -1.758 125 2HD1 LEU 16 2HD1 LEU 16 -11.828 -8.348 -0.998 126 3HD1 LEU 16 3HD1 LEU 16 -10.664 -7.275 -0.221 127 1HD2 LEU 16 1HD2 LEU 16 -13.305 -8.387 0.990 128 2HD2 LEU 16 2HD2 LEU 16 -13.823 -6.873 1.735 129 3HD2 LEU 16 3HD2 LEU 16 -12.138 -7.382 1.852 130 H SER 17 H SER 17 -14.452 -3.789 -0.433 131 HA SER 17 HA SER 17 -15.535 -4.595 -3.016 132 1HB SER 17 1HB SER 17 -17.742 -4.273 -1.894 133 2HB SER 17 2HB SER 17 -16.701 -5.429 -1.062 134 HG SER 17 HG SER 17 -16.062 -3.518 0.250 135 H ARG 18 H ARG 18 -15.687 -1.830 -0.828 136 HA ARG 18 HA ARG 18 -15.342 0.201 -2.686 137 1HB ARG 18 1HB ARG 18 -17.544 -0.737 -3.542 138 2HB ARG 18 2HB ARG 18 -18.266 -0.211 -2.031 139 1HG ARG 18 1HG ARG 18 -17.456 2.118 -2.623 140 2HG ARG 18 2HG ARG 18 -17.120 1.475 -4.232 141 1HD ARG 18 1HD ARG 18 -19.782 1.555 -2.820 142 2HD ARG 18 2HD ARG 18 -19.301 2.493 -4.234 143 HE ARG 18 HE ARG 18 -19.099 0.213 -5.347 144 1HH1 ARG 18 1HH1 ARG 18 -21.348 0.907 -2.777 145 2HH1 ARG 18 2HH1 ARG 18 -22.496 -0.288 -3.283 146 1HH2 ARG 18 1HH2 ARG 18 -20.603 -1.364 -6.019 147 2HH2 ARG 18 2HH2 ARG 18 -22.070 -1.582 -5.125 148 H MET 19 H MET 19 -14.849 -0.676 0.070 149 HA MET 19 HA MET 19 -16.260 1.237 1.744 150 1HB MET 19 1HB MET 19 -14.042 -0.353 2.878 151 2HB MET 19 2HB MET 19 -15.652 -0.048 3.515 152 1HG MET 19 1HG MET 19 -16.492 -1.642 1.721 153 2HG MET 19 2HG MET 19 -14.800 -2.093 1.493 154 1HE MET 19 1HE MET 19 -17.847 -2.036 3.944 155 2HE MET 19 2HE MET 19 -16.644 -1.126 4.861 156 3HE MET 19 3HE MET 19 -17.155 -2.721 5.415 157 H GLY 20 H GLY 20 -12.919 0.587 0.712 158 1HA GLY 20 1HA GLY 20 -11.241 2.163 0.349 159 2HA GLY 20 2HA GLY 20 -12.297 3.401 1.010 160 H ASP 21 H ASP 21 -12.419 3.654 3.308 161 HA ASP 21 HA ASP 21 -9.908 2.911 4.603 162 1HB ASP 21 1HB ASP 21 -12.001 4.993 5.183 163 2HB ASP 21 2HB ASP 21 -10.768 4.575 6.370 164 H GLU 22 H GLU 22 -12.838 1.503 4.395 165 HA GLU 22 HA GLU 22 -12.863 0.673 7.217 166 1HB GLU 22 1HB GLU 22 -14.972 1.623 6.216 167 2HB GLU 22 2HB GLU 22 -15.031 0.213 5.168 168 1HG GLU 22 1HG GLU 22 -16.497 -0.082 7.063 169 2HG GLU 22 2HG GLU 22 -15.169 -1.241 7.128 170 H ALA 23 H ALA 23 -12.275 -0.401 3.998 171 HA ALA 23 HA ALA 23 -12.327 -3.217 4.791 172 1HB ALA 23 1HB ALA 23 -11.626 -3.398 2.250 173 2HB ALA 23 2HB ALA 23 -12.331 -1.782 2.193 174 3HB ALA 23 3HB ALA 23 -13.302 -3.149 2.733 175 H PHE 24 H PHE 24 -10.193 -0.800 5.100 176 HA PHE 24 HA PHE 24 -7.816 -1.730 3.970 177 1HB PHE 24 1HB PHE 24 -8.308 0.542 5.031 178 2HB PHE 24 2HB PHE 24 -8.015 -0.235 6.581 179 HD1 PHE 24 HD1 PHE 24 -6.018 -1.510 3.881 180 HD2 PHE 24 HD2 PHE 24 -6.275 1.554 6.822 181 HE1 PHE 24 HE1 PHE 24 -3.622 -1.079 3.631 182 HE2 PHE 24 HE2 PHE 24 -3.874 1.991 6.576 183 HZ PHE 24 HZ PHE 24 -2.535 0.675 4.978 184 H GLU 25 H GLU 25 -9.189 -2.212 7.205 185 HA GLU 25 HA GLU 25 -7.140 -3.883 8.158 186 1HB GLU 25 1HB GLU 25 -9.927 -3.292 8.990 187 2HB GLU 25 2HB GLU 25 -9.151 -4.725 9.635 188 1HG GLU 25 1HG GLU 25 -7.259 -3.269 10.374 189 2HG GLU 25 2HG GLU 25 -8.235 -1.880 9.900 190 HA PRO 26 HA PRO 26 -10.305 -7.615 7.047 191 1HB PRO 26 1HB PRO 26 -11.140 -6.260 4.510 192 2HB PRO 26 2HB PRO 26 -12.022 -7.428 5.499 193 1HG PRO 26 1HG PRO 26 -12.592 -4.823 5.609 194 2HG PRO 26 2HG PRO 26 -12.649 -5.841 7.058 195 1HD PRO 26 1HD PRO 26 -10.677 -3.774 6.285 196 2HD PRO 26 2HD PRO 26 -11.134 -4.354 7.895 197 H LEU 27 H LEU 27 -8.525 -5.504 4.933 198 HA LEU 27 HA LEU 27 -7.594 -7.442 3.087 199 1HB LEU 27 1HB LEU 27 -6.683 -4.708 3.925 200 2HB LEU 27 2HB LEU 27 -5.815 -5.629 2.704 201 HG LEU 27 HG LEU 27 -8.721 -4.831 2.500 202 1HD1 LEU 27 1HD1 LEU 27 -7.984 -3.178 0.876 203 2HD1 LEU 27 2HD1 LEU 27 -6.303 -3.624 1.167 204 3HD1 LEU 27 3HD1 LEU 27 -7.253 -2.877 2.452 205 1HD2 LEU 27 1HD2 LEU 27 -8.513 -5.514 0.176 206 2HD2 LEU 27 2HD2 LEU 27 -8.136 -6.859 1.254 207 3HD2 LEU 27 3HD2 LEU 27 -6.835 -5.983 0.449 208 H LEU 28 H LEU 28 -6.012 -5.804 5.812 209 HA LEU 28 HA LEU 28 -3.680 -7.411 5.780 210 1HB LEU 28 1HB LEU 28 -3.471 -5.295 6.775 211 2HB LEU 28 2HB LEU 28 -4.912 -5.510 7.749 212 HG LEU 28 HG LEU 28 -3.692 -7.198 9.109 213 1HD1 LEU 28 1HD1 LEU 28 -1.341 -6.311 7.443 214 2HD1 LEU 28 2HD1 LEU 28 -2.049 -7.925 7.498 215 3HD1 LEU 28 3HD1 LEU 28 -1.234 -7.272 8.919 216 1HD2 LEU 28 1HD2 LEU 28 -2.295 -4.531 8.978 217 2HD2 LEU 28 2HD2 LEU 28 -2.417 -5.606 10.371 218 3HD2 LEU 28 3HD2 LEU 28 -3.859 -4.804 9.747 219 H GLU 29 H GLU 29 -6.839 -7.908 6.958 220 HA GLU 29 HA GLU 29 -6.160 -9.783 9.024 221 1HB GLU 29 1HB GLU 29 -8.214 -8.415 9.115 222 2HB GLU 29 2HB GLU 29 -8.817 -9.242 7.686 223 1HG GLU 29 1HG GLU 29 -9.835 -10.124 9.700 224 2HG GLU 29 2HG GLU 29 -8.848 -11.350 8.905 225 H SER 30 H SER 30 -7.365 -9.958 5.703 226 HA SER 30 HA SER 30 -7.701 -12.763 5.627 227 1HB SER 30 1HB SER 30 -7.752 -12.462 3.160 228 2HB SER 30 2HB SER 30 -8.808 -11.331 4.007 229 HG SER 30 HG SER 30 -6.181 -10.548 3.446 230 H LEU 31 H LEU 31 -4.899 -10.865 5.679 231 HA LEU 31 HA LEU 31 -3.199 -12.430 4.040 232 1HB LEU 31 1HB LEU 31 -2.606 -10.559 6.328 233 2HB LEU 31 2HB LEU 31 -1.361 -11.317 5.354 234 HG LEU 31 HG LEU 31 -3.473 -9.419 4.325 235 1HD1 LEU 31 1HD1 LEU 31 -1.833 -8.288 5.710 236 2HD1 LEU 31 2HD1 LEU 31 -1.596 -7.875 4.012 237 3HD1 LEU 31 3HD1 LEU 31 -0.521 -9.033 4.797 238 1HD2 LEU 31 1HD2 LEU 31 -2.208 -9.470 2.239 239 2HD2 LEU 31 2HD2 LEU 31 -2.809 -11.075 2.654 240 3HD2 LEU 31 3HD2 LEU 31 -1.113 -10.672 2.924 241 H SER 32 H SER 32 -4.702 -13.191 6.909 242 HA SER 32 HA SER 32 -2.558 -14.938 7.856 243 1HB SER 32 1HB SER 32 -4.006 -15.322 9.809 244 2HB SER 32 2HB SER 32 -3.754 -13.598 9.536 245 HG SER 32 HG SER 32 -6.057 -15.024 9.526 246 H ASN 33 H ASN 33 -4.412 -15.232 5.400 247 HA ASN 33 HA ASN 33 -5.653 -17.807 6.003 248 1HB ASN 33 1HB ASN 33 -5.762 -16.049 3.544 249 2HB ASN 33 2HB ASN 33 -6.585 -17.599 3.689 250 1HD2 ASN 33 1HD2 ASN 33 -7.239 -17.225 6.486 251 2HD2 ASN 33 2HD2 ASN 33 -8.515 -16.063 6.534 252 H GLU 34 H GLU 34 -4.948 -19.729 5.210 253 HA GLU 34 HA GLU 34 -2.261 -19.945 4.340 254 1HB GLU 34 1HB GLU 34 -2.712 -22.337 4.134 255 2HB GLU 34 2HB GLU 34 -3.366 -21.707 5.640 256 1HG GLU 34 1HG GLU 34 -5.597 -21.596 4.569 257 2HG GLU 34 2HG GLU 34 -4.904 -22.360 3.138 258 H ASP 35 H ASP 35 -4.884 -18.927 2.663 259 HA ASP 35 HA ASP 35 -4.333 -20.261 0.153 260 1HB ASP 35 1HB ASP 35 -6.174 -17.938 0.766 261 2HB ASP 35 2HB ASP 35 -6.136 -18.854 -0.738 262 H TRP 36 H TRP 36 -3.651 -19.175 -1.765 263 HA TRP 36 HA TRP 36 -1.888 -16.891 -1.207 264 1HB TRP 36 1HB TRP 36 -0.728 -17.536 -3.311 265 2HB TRP 36 2HB TRP 36 -0.706 -18.808 -2.094 266 HD1 TRP 36 HD1 TRP 36 -2.243 -20.984 -2.576 267 HE1 TRP 36 HE1 TRP 36 -3.139 -21.962 -4.784 268 HE3 TRP 36 HE3 TRP 36 -1.581 -16.917 -5.600 269 HZ2 TRP 36 HZ2 TRP 36 -3.514 -21.126 -7.443 270 HZ3 TRP 36 HZ3 TRP 36 -2.235 -17.090 -7.966 271 HH2 TRP 36 HH2 TRP 36 -3.182 -19.155 -8.864 272 H ARG 37 H ARG 37 -4.375 -18.074 -3.391 273 HA ARG 37 HA ARG 37 -4.440 -15.896 -5.158 274 1HB ARG 37 1HB ARG 37 -6.790 -16.688 -5.623 275 2HB ARG 37 2HB ARG 37 -5.539 -17.913 -5.790 276 1HG ARG 37 1HG ARG 37 -6.098 -18.718 -3.510 277 2HG ARG 37 2HG ARG 37 -7.438 -17.570 -3.480 278 1HD ARG 37 1HD ARG 37 -7.074 -19.763 -5.518 279 2HD ARG 37 2HD ARG 37 -8.137 -19.851 -4.113 280 HE ARG 37 HE ARG 37 -8.696 -17.573 -5.731 281 1HH1 ARG 37 1HH1 ARG 37 -9.200 -21.009 -5.456 282 2HH1 ARG 37 2HH1 ARG 37 -10.672 -20.996 -6.370 283 1HH2 ARG 37 1HH2 ARG 37 -10.632 -17.546 -6.936 284 2HH2 ARG 37 2HH2 ARG 37 -11.485 -19.028 -7.212 285 H ILE 38 H ILE 38 -6.073 -16.485 -2.086 286 HA ILE 38 HA ILE 38 -7.634 -14.069 -2.217 287 HB ILE 38 HB ILE 38 -7.097 -15.812 0.192 288 1HG1 ILE 38 1HG1 ILE 38 -9.419 -15.947 -1.743 289 2HG1 ILE 38 2HG1 ILE 38 -8.054 -17.060 -1.755 290 1HG2 ILE 38 1HG2 ILE 38 -8.003 -13.536 0.624 291 2HG2 ILE 38 2HG2 ILE 38 -9.084 -14.837 1.121 292 3HG2 ILE 38 3HG2 ILE 38 -9.401 -13.949 -0.370 293 1HD1 ILE 38 1HD1 ILE 38 -8.641 -17.795 0.499 294 2HD1 ILE 38 2HD1 ILE 38 -9.969 -18.036 -0.637 295 3HD1 ILE 38 3HD1 ILE 38 -10.014 -16.687 0.499 296 H ARG 39 H ARG 39 -4.821 -15.176 -0.343 297 HA ARG 39 HA ARG 39 -4.438 -12.785 1.097 298 1HB ARG 39 1HB ARG 39 -3.408 -14.878 1.802 299 2HB ARG 39 2HB ARG 39 -2.454 -14.935 0.327 300 1HG ARG 39 1HG ARG 39 -1.326 -12.844 1.028 301 2HG ARG 39 2HG ARG 39 -2.218 -12.918 2.548 302 1HD ARG 39 1HD ARG 39 -0.393 -15.095 1.542 303 2HD ARG 39 2HD ARG 39 0.099 -13.832 2.670 304 HE ARG 39 HE ARG 39 -2.196 -15.149 3.647 305 1HH1 ARG 39 1HH1 ARG 39 1.215 -15.650 3.148 306 2HH1 ARG 39 2HH1 ARG 39 1.373 -16.774 4.457 307 1HH2 ARG 39 1HH2 ARG 39 -1.994 -16.622 5.380 308 2HH2 ARG 39 2HH2 ARG 39 -0.449 -17.327 5.724 309 H GLY 40 H GLY 40 -3.551 -13.767 -2.114 310 1HA GLY 40 1HA GLY 40 -1.525 -11.829 -2.571 311 2HA GLY 40 2HA GLY 40 -2.415 -12.707 -3.807 312 H ALA 41 H ALA 41 -4.887 -11.930 -3.770 313 HA ALA 41 HA ALA 41 -4.964 -9.420 -4.912 314 1HB ALA 41 1HB ALA 41 -7.228 -10.839 -3.509 315 2HB ALA 41 2HB ALA 41 -6.737 -11.080 -5.185 316 3HB ALA 41 3HB ALA 41 -7.391 -9.525 -4.672 317 H ALA 42 H ALA 42 -5.148 -10.314 -1.548 318 HA ALA 42 HA ALA 42 -6.227 -7.923 -0.519 319 1HB ALA 42 1HB ALA 42 -4.310 -9.805 0.854 320 2HB ALA 42 2HB ALA 42 -6.056 -10.037 0.754 321 3HB ALA 42 3HB ALA 42 -5.399 -8.652 1.628 322 H ALA 43 H ALA 43 -2.823 -9.000 -0.688 323 HA ALA 43 HA ALA 43 -1.767 -6.498 0.135 324 1HB ALA 43 1HB ALA 43 0.383 -7.413 -0.462 325 2HB ALA 43 2HB ALA 43 -0.396 -8.722 -1.353 326 3HB ALA 43 3HB ALA 43 -0.573 -8.621 0.399 327 H TRP 44 H TRP 44 -2.836 -7.740 -2.901 328 HA TRP 44 HA TRP 44 -1.307 -6.088 -4.609 329 1HB TRP 44 1HB TRP 44 -3.697 -7.811 -4.877 330 2HB TRP 44 2HB TRP 44 -3.538 -6.530 -6.074 331 HD1 TRP 44 HD1 TRP 44 -1.121 -9.190 -4.575 332 HE1 TRP 44 HE1 TRP 44 0.258 -10.176 -6.510 333 HE3 TRP 44 HE3 TRP 44 -3.084 -6.478 -8.441 334 HZ2 TRP 44 HZ2 TRP 44 0.487 -9.853 -9.299 335 HZ3 TRP 44 HZ3 TRP 44 -2.231 -6.882 -10.714 336 HH2 TRP 44 HH2 TRP 44 -0.483 -8.534 -11.133 337 H ILE 45 H ILE 45 -4.175 -5.557 -2.720 338 HA ILE 45 HA ILE 45 -4.641 -2.961 -4.006 339 HB ILE 45 HB ILE 45 -6.319 -4.356 -1.913 340 1HG1 ILE 45 1HG1 ILE 45 -6.759 -4.150 -4.901 341 2HG1 ILE 45 2HG1 ILE 45 -6.209 -5.596 -4.061 342 1HG2 ILE 45 1HG2 ILE 45 -6.827 -1.921 -3.616 343 2HG2 ILE 45 2HG2 ILE 45 -6.662 -1.980 -1.862 344 3HG2 ILE 45 3HG2 ILE 45 -8.054 -2.731 -2.642 345 1HD1 ILE 45 1HD1 ILE 45 -8.337 -5.561 -2.769 346 2HD1 ILE 45 2HD1 ILE 45 -8.534 -5.825 -4.501 347 3HD1 ILE 45 3HD1 ILE 45 -8.879 -4.241 -3.805 348 H ILE 46 H ILE 46 -3.381 -4.431 -1.162 349 HA ILE 46 HA ILE 46 -3.704 -2.358 0.692 350 HB ILE 46 HB ILE 46 -2.784 -4.849 0.910 351 1HG1 ILE 46 1HG1 ILE 46 -1.589 -3.031 2.916 352 2HG1 ILE 46 2HG1 ILE 46 -3.314 -2.822 2.611 353 1HG2 ILE 46 1HG2 ILE 46 -0.247 -3.241 1.117 354 2HG2 ILE 46 2HG2 ILE 46 -0.660 -4.251 -0.267 355 3HG2 ILE 46 3HG2 ILE 46 -0.443 -4.982 1.322 356 1HD1 ILE 46 1HD1 ILE 46 -2.852 -4.341 4.480 357 2HD1 ILE 46 2HD1 ILE 46 -1.997 -5.418 3.374 358 3HD1 ILE 46 3HD1 ILE 46 -3.725 -5.132 3.169 359 H GLY 47 H GLY 47 -1.330 -2.840 -1.850 360 1HA GLY 47 1HA GLY 47 0.550 -0.918 -0.971 361 2HA GLY 47 2HA GLY 47 0.373 -1.501 -2.619 362 H ASN 48 H ASN 48 -2.570 -0.545 -2.312 363 HA ASN 48 HA ASN 48 -2.184 1.937 -3.622 364 1HB ASN 48 1HB ASN 48 -4.625 0.544 -2.529 365 2HB ASN 48 2HB ASN 48 -4.708 2.109 -3.324 366 1HD2 ASN 48 1HD2 ASN 48 -2.468 -0.419 -4.231 367 2HD2 ASN 48 2HD2 ASN 48 -3.183 -0.770 -5.763 368 H PHE 49 H PHE 49 -2.669 0.999 -0.315 369 HA PHE 49 HA PHE 49 -3.115 3.778 0.486 370 1HB PHE 49 1HB PHE 49 -3.234 1.231 2.115 371 2HB PHE 49 2HB PHE 49 -3.600 2.843 2.719 372 HD1 PHE 49 HD1 PHE 49 -5.377 4.128 1.141 373 HD2 PHE 49 HD2 PHE 49 -5.035 -0.087 1.611 374 HE1 PHE 49 HE1 PHE 49 -7.719 3.864 0.441 375 HE2 PHE 49 HE2 PHE 49 -7.375 -0.359 0.909 376 HZ PHE 49 HZ PHE 49 -8.721 1.617 0.323 377 H GLN 50 H GLN 50 -1.348 4.929 0.815 378 HA GLN 50 HA GLN 50 1.185 3.736 1.446 379 1HB GLN 50 1HB GLN 50 0.355 6.642 1.326 380 2HB GLN 50 2HB GLN 50 2.011 6.068 1.477 381 1HG GLN 50 1HG GLN 50 2.082 6.189 -0.737 382 2HG GLN 50 2HG GLN 50 1.120 4.713 -0.718 383 1HE2 GLN 50 1HE2 GLN 50 -1.214 6.163 0.376 384 2HE2 GLN 50 2HE2 GLN 50 -1.882 7.030 -0.959 385 H ASP 51 H ASP 51 -0.801 3.200 3.396 386 HA ASP 51 HA ASP 51 -0.082 4.853 5.694 387 1HB ASP 51 1HB ASP 51 -2.468 4.321 5.295 388 2HB ASP 51 2HB ASP 51 -2.101 2.609 5.477 389 H GLU 52 H GLU 52 0.337 3.685 7.782 390 HA GLU 52 HA GLU 52 2.611 2.032 7.520 391 1HB GLU 52 1HB GLU 52 2.500 1.848 9.975 392 2HB GLU 52 2HB GLU 52 2.324 3.509 9.427 393 1HG GLU 52 1HG GLU 52 -0.072 3.399 9.764 394 2HG GLU 52 2HG GLU 52 0.053 1.703 10.233 395 H ARG 53 H ARG 53 -0.774 1.342 8.011 396 HA ARG 53 HA ARG 53 -0.484 -1.344 8.874 397 1HB ARG 53 1HB ARG 53 -2.518 -0.010 9.254 398 2HB ARG 53 2HB ARG 53 -2.826 0.006 7.525 399 1HG ARG 53 1HG ARG 53 -3.190 -2.362 7.507 400 2HG ARG 53 2HG ARG 53 -2.711 -2.487 9.201 401 1HD ARG 53 1HD ARG 53 -5.084 -0.951 8.149 402 2HD ARG 53 2HD ARG 53 -5.150 -2.530 8.932 403 HE ARG 53 HE ARG 53 -3.926 -1.059 10.797 404 1HH1 ARG 53 1HH1 ARG 53 -6.781 -0.448 8.895 405 2HH1 ARG 53 2HH1 ARG 53 -7.530 0.540 10.104 406 1HH2 ARG 53 1HH2 ARG 53 -4.903 0.241 12.391 407 2HH2 ARG 53 2HH2 ARG 53 -6.462 0.932 12.093 408 H ALA 54 H ALA 54 -0.005 0.106 5.856 409 HA ALA 54 HA ALA 54 -0.522 -2.414 4.426 410 1HB ALA 54 1HB ALA 54 -1.684 -0.497 3.490 411 2HB ALA 54 2HB ALA 54 -0.447 -1.069 2.371 412 3HB ALA 54 3HB ALA 54 -0.161 0.377 3.339 413 H VAL 55 H VAL 55 1.870 -1.052 6.035 414 HA VAL 55 HA VAL 55 3.987 -1.308 4.083 415 HB VAL 55 HB VAL 55 4.081 -0.660 7.026 416 1HG1 VAL 55 1HG1 VAL 55 6.403 0.027 6.588 417 2HG1 VAL 55 2HG1 VAL 55 6.266 -0.620 4.953 418 3HG1 VAL 55 3HG1 VAL 55 6.152 -1.701 6.343 419 1HG2 VAL 55 1HG2 VAL 55 3.002 0.992 5.439 420 2HG2 VAL 55 2HG2 VAL 55 4.591 1.172 4.695 421 3HG2 VAL 55 3HG2 VAL 55 4.356 1.600 6.389 422 H GLU 56 H GLU 56 2.993 -2.941 7.081 423 HA GLU 56 HA GLU 56 5.098 -4.791 7.150 424 1HB GLU 56 1HB GLU 56 3.645 -4.374 9.076 425 2HB GLU 56 2HB GLU 56 2.297 -5.120 8.228 426 1HG GLU 56 1HG GLU 56 3.338 -7.252 8.274 427 2HG GLU 56 2HG GLU 56 4.859 -6.565 8.845 428 HA PRO 57 HA PRO 57 1.719 -7.767 4.887 429 1HB PRO 57 1HB PRO 57 1.135 -5.544 2.966 430 2HB PRO 57 2HB PRO 57 0.130 -6.922 3.430 431 1HG PRO 57 1HG PRO 57 -0.308 -4.509 4.469 432 2HG PRO 57 2HG PRO 57 -0.472 -5.972 5.456 433 1HD PRO 57 1HD PRO 57 1.639 -3.895 5.497 434 2HD PRO 57 2HD PRO 57 1.083 -4.968 6.795 435 H LEU 58 H LEU 58 3.293 -5.151 3.025 436 HA LEU 58 HA LEU 58 4.233 -6.794 0.961 437 1HB LEU 58 1HB LEU 58 5.566 -4.269 1.915 438 2HB LEU 58 2HB LEU 58 5.641 -4.969 0.312 439 HG LEU 58 HG LEU 58 3.435 -3.409 1.592 440 1HD1 LEU 58 1HD1 LEU 58 3.469 -2.261 -0.560 441 2HD1 LEU 58 2HD1 LEU 58 4.707 -3.376 -1.140 442 3HD1 LEU 58 3HD1 LEU 58 5.067 -2.273 0.188 443 1HD2 LEU 58 1HD2 LEU 58 3.095 -5.374 -0.670 444 2HD2 LEU 58 2HD2 LEU 58 1.938 -4.109 -0.263 445 3HD2 LEU 58 3HD2 LEU 58 2.278 -5.398 0.891 446 H ILE 59 H ILE 59 5.663 -5.917 4.054 447 HA ILE 59 HA ILE 59 8.268 -6.771 3.640 448 HB ILE 59 HB ILE 59 6.644 -6.940 6.176 449 1HG1 ILE 59 1HG1 ILE 59 6.777 -4.669 5.298 450 2HG1 ILE 59 2HG1 ILE 59 7.780 -4.814 6.737 451 1HG2 ILE 59 1HG2 ILE 59 8.761 -7.025 7.358 452 2HG2 ILE 59 2HG2 ILE 59 9.637 -7.012 5.828 453 3HG2 ILE 59 3HG2 ILE 59 8.620 -8.389 6.250 454 1HD1 ILE 59 1HD1 ILE 59 8.757 -4.841 3.890 455 2HD1 ILE 59 2HD1 ILE 59 9.768 -4.988 5.327 456 3HD1 ILE 59 3HD1 ILE 59 8.879 -3.496 5.024 457 H LYS 60 H LYS 60 5.650 -8.674 5.159 458 HA LYS 60 HA LYS 60 7.148 -11.095 5.092 459 1HB LYS 60 1HB LYS 60 4.234 -10.501 5.577 460 2HB LYS 60 2HB LYS 60 4.868 -12.140 5.581 461 1HG LYS 60 1HG LYS 60 4.739 -11.397 7.834 462 2HG LYS 60 2HG LYS 60 6.444 -11.450 7.385 463 1HD LYS 60 1HD LYS 60 6.493 -9.062 7.087 464 2HD LYS 60 2HD LYS 60 4.750 -8.955 7.340 465 1HE LYS 60 1HE LYS 60 6.795 -9.840 9.376 466 2HE LYS 60 2HE LYS 60 5.975 -8.279 9.341 467 1HZ LYS 60 1HZ LYS 60 4.964 -9.818 10.923 468 2HZ LYS 60 2HZ LYS 60 4.630 -10.908 9.674 469 3HZ LYS 60 3HZ LYS 60 3.877 -9.393 9.699 470 H LEU 61 H LEU 61 5.391 -9.412 2.732 471 HA LEU 61 HA LEU 61 4.473 -11.637 1.196 472 1HB LEU 61 1HB LEU 61 4.246 -8.807 1.125 473 2HB LEU 61 2HB LEU 61 4.816 -9.348 -0.442 474 HG LEU 61 HG LEU 61 2.864 -11.034 -0.335 475 1HD1 LEU 61 1HD1 LEU 61 2.371 -10.604 2.058 476 2HD1 LEU 61 2HD1 LEU 61 0.980 -10.390 0.995 477 3HD1 LEU 61 3HD1 LEU 61 1.842 -8.981 1.614 478 1HD2 LEU 61 1HD2 LEU 61 1.430 -9.471 -1.410 479 2HD2 LEU 61 2HD2 LEU 61 3.093 -9.060 -1.820 480 3HD2 LEU 61 3HD2 LEU 61 2.224 -8.112 -0.614 481 H LEU 62 H LEU 62 7.139 -9.328 0.724 482 HA LEU 62 HA LEU 62 8.187 -10.409 -1.607 483 1HB LEU 62 1HB LEU 62 9.760 -9.105 0.612 484 2HB LEU 62 2HB LEU 62 10.190 -9.176 -1.087 485 HG LEU 62 HG LEU 62 7.654 -7.815 -0.268 486 1HD1 LEU 62 1HD1 LEU 62 10.402 -6.580 -0.184 487 2HD1 LEU 62 2HD1 LEU 62 9.343 -6.867 1.196 488 3HD1 LEU 62 3HD1 LEU 62 8.877 -5.706 -0.046 489 1HD2 LEU 62 1HD2 LEU 62 8.249 -6.424 -2.253 490 2HD2 LEU 62 2HD2 LEU 62 7.967 -8.126 -2.615 491 3HD2 LEU 62 3HD2 LEU 62 9.615 -7.504 -2.533 492 H GLU 63 H GLU 63 8.047 -11.809 1.442 493 HA GLU 63 HA GLU 63 10.332 -13.568 0.862 494 1HB GLU 63 1HB GLU 63 9.215 -12.439 3.349 495 2HB GLU 63 2HB GLU 63 9.734 -14.114 3.441 496 1HG GLU 63 1HG GLU 63 11.954 -13.477 2.657 497 2HG GLU 63 2HG GLU 63 11.432 -11.796 2.544 498 H ASP 64 H ASP 64 6.952 -13.434 0.971 499 HA ASP 64 HA ASP 64 6.294 -15.999 1.871 500 1HB ASP 64 1HB ASP 64 4.910 -14.046 0.070 501 2HB ASP 64 2HB ASP 64 4.224 -15.642 0.355 502 H ASP 65 H ASP 65 7.417 -14.880 -1.192 503 HA ASP 65 HA ASP 65 7.858 -15.920 -3.185 504 1HB ASP 65 1HB ASP 65 8.583 -18.129 -1.249 505 2HB ASP 65 2HB ASP 65 9.031 -18.108 -2.951 506 H SER 66 H SER 66 5.109 -16.114 -2.270 507 HA SER 66 HA SER 66 4.200 -18.781 -2.918 508 1HB SER 66 1HB SER 66 3.052 -17.393 -1.210 509 2HB SER 66 2HB SER 66 2.597 -16.253 -2.475 510 HG SER 66 HG SER 66 1.054 -18.017 -1.823 511 H GLY 67 H GLY 67 4.697 -15.793 -4.583 512 1HA GLY 67 1HA GLY 67 4.867 -15.907 -7.015 513 2HA GLY 67 2HA GLY 67 3.466 -16.972 -6.998 514 H PHE 68 H PHE 68 1.384 -16.070 -6.527 515 HA PHE 68 HA PHE 68 0.929 -13.526 -7.659 516 1HB PHE 68 1HB PHE 68 -0.706 -15.543 -7.286 517 2HB PHE 68 2HB PHE 68 -0.998 -14.789 -5.724 518 HD1 PHE 68 HD1 PHE 68 -1.208 -11.974 -6.200 519 HD2 PHE 68 HD2 PHE 68 -2.443 -15.200 -8.703 520 HE1 PHE 68 HE1 PHE 68 -2.904 -10.527 -7.233 521 HE2 PHE 68 HE2 PHE 68 -4.130 -13.746 -9.744 522 HZ PHE 68 HZ PHE 68 -4.363 -11.408 -9.010 523 H VAL 69 H VAL 69 1.117 -14.703 -4.350 524 HA VAL 69 HA VAL 69 0.549 -12.237 -3.079 525 HB VAL 69 HB VAL 69 2.148 -14.504 -1.905 526 1HG1 VAL 69 1HG1 VAL 69 1.088 -13.755 0.197 527 2HG1 VAL 69 2HG1 VAL 69 0.358 -12.412 -0.681 528 3HG1 VAL 69 3HG1 VAL 69 2.112 -12.523 -0.537 529 1HG2 VAL 69 1HG2 VAL 69 -0.845 -14.240 -2.163 530 2HG2 VAL 69 2HG2 VAL 69 -0.027 -15.416 -1.135 531 3HG2 VAL 69 3HG2 VAL 69 0.179 -15.482 -2.885 532 H ARG 70 H ARG 70 3.624 -13.999 -3.476 533 HA ARG 70 HA ARG 70 5.302 -12.083 -2.385 534 1HB ARG 70 1HB ARG 70 5.861 -14.461 -3.050 535 2HB ARG 70 2HB ARG 70 6.039 -13.872 -4.695 536 1HG ARG 70 1HG ARG 70 7.571 -12.536 -2.521 537 2HG ARG 70 2HG ARG 70 8.108 -14.111 -3.109 538 1HD ARG 70 1HD ARG 70 7.746 -11.583 -4.706 539 2HD ARG 70 2HD ARG 70 9.258 -12.418 -4.349 540 HE ARG 70 HE ARG 70 7.235 -13.218 -6.295 541 1HH1 ARG 70 1HH1 ARG 70 10.247 -13.892 -4.674 542 2HH1 ARG 70 2HH1 ARG 70 10.753 -15.074 -5.833 543 1HH2 ARG 70 1HH2 ARG 70 7.895 -14.773 -7.824 544 2HH2 ARG 70 2HH2 ARG 70 9.418 -15.574 -7.625 545 H SER 71 H SER 71 4.463 -12.522 -5.822 546 HA SER 71 HA SER 71 5.942 -10.317 -6.761 547 1HB SER 71 1HB SER 71 3.502 -11.619 -7.988 548 2HB SER 71 2HB SER 71 4.624 -10.544 -8.824 549 HG SER 71 HG SER 71 6.004 -12.503 -7.642 550 H GLY 72 H GLY 72 2.940 -10.498 -5.114 551 1HA GLY 72 1HA GLY 72 1.624 -8.225 -6.083 552 2HA GLY 72 2HA GLY 72 1.438 -8.889 -4.467 553 H ALA 73 H ALA 73 3.416 -8.395 -3.017 554 HA ALA 73 HA ALA 73 3.503 -5.720 -2.436 555 1HB ALA 73 1HB ALA 73 4.242 -7.320 -0.830 556 2HB ALA 73 2HB ALA 73 5.585 -6.225 -1.155 557 3HB ALA 73 3HB ALA 73 5.569 -7.836 -1.871 558 H ALA 74 H ALA 74 5.474 -7.472 -4.749 559 HA ALA 74 HA ALA 74 7.583 -5.707 -5.084 560 1HB ALA 74 1HB ALA 74 7.551 -7.887 -6.134 561 2HB ALA 74 2HB ALA 74 7.796 -6.636 -7.353 562 3HB ALA 74 3HB ALA 74 6.215 -7.395 -7.174 563 H ARG 75 H ARG 75 4.406 -5.696 -6.687 564 HA ARG 75 HA ARG 75 5.007 -3.251 -8.104 565 1HB ARG 75 1HB ARG 75 2.609 -3.419 -8.841 566 2HB ARG 75 2HB ARG 75 3.607 -4.805 -9.259 567 1HG ARG 75 1HG ARG 75 2.657 -6.097 -7.470 568 2HG ARG 75 2HG ARG 75 1.765 -4.694 -6.880 569 1HD ARG 75 1HD ARG 75 0.481 -6.413 -8.270 570 2HD ARG 75 2HD ARG 75 0.303 -4.710 -8.709 571 HE ARG 75 HE ARG 75 2.289 -6.321 -10.135 572 1HH1 ARG 75 1HH1 ARG 75 -0.787 -4.676 -10.124 573 2HH1 ARG 75 2HH1 ARG 75 -0.928 -4.660 -11.850 574 1HH2 ARG 75 1HH2 ARG 75 2.109 -6.296 -12.411 575 2HH2 ARG 75 2HH2 ARG 75 0.718 -5.574 -13.149 576 H SER 76 H SER 76 3.543 -4.170 -5.120 577 HA SER 76 HA SER 76 1.908 -1.932 -4.666 578 1HB SER 76 1HB SER 76 3.330 -3.694 -2.658 579 2HB SER 76 2HB SER 76 2.005 -2.589 -2.292 580 HG SER 76 HG SER 76 1.251 -4.714 -2.597 581 H LEU 77 H LEU 77 5.330 -2.503 -4.008 582 HA LEU 77 HA LEU 77 5.843 -0.261 -2.417 583 1HB LEU 77 1HB LEU 77 7.644 -1.661 -4.389 584 2HB LEU 77 2HB LEU 77 8.188 -0.486 -3.208 585 HG LEU 77 HG LEU 77 6.870 -3.110 -2.512 586 1HD1 LEU 77 1HD1 LEU 77 9.768 -2.308 -2.581 587 2HD1 LEU 77 2HD1 LEU 77 8.980 -3.541 -3.564 588 3HD1 LEU 77 3HD1 LEU 77 9.152 -3.777 -1.824 589 1HD2 LEU 77 1HD2 LEU 77 8.338 -1.099 -0.808 590 2HD2 LEU 77 2HD2 LEU 77 7.662 -2.632 -0.259 591 3HD2 LEU 77 3HD2 LEU 77 6.593 -1.349 -0.827 592 H GLU 78 H GLU 78 6.543 -0.612 -5.895 593 HA GLU 78 HA GLU 78 7.229 1.935 -6.540 594 1HB GLU 78 1HB GLU 78 5.430 0.137 -8.178 595 2HB GLU 78 2HB GLU 78 6.338 1.508 -8.799 596 1HG GLU 78 1HG GLU 78 8.421 0.410 -8.311 597 2HG GLU 78 2HG GLU 78 7.572 -0.925 -7.533 598 H GLN 79 H GLN 79 4.008 0.756 -5.849 599 HA GLN 79 HA GLN 79 2.620 3.061 -6.799 600 1HB GLN 79 1HB GLN 79 1.766 0.949 -4.814 601 2HB GLN 79 2HB GLN 79 0.703 2.157 -5.521 602 1HG GLN 79 1HG GLN 79 0.985 1.229 -7.703 603 2HG GLN 79 2HG GLN 79 2.236 0.132 -7.126 604 1HE2 GLN 79 1HE2 GLN 79 0.764 -0.404 -4.638 605 2HE2 GLN 79 2HE2 GLN 79 -0.512 -1.480 -5.077 606 H ILE 80 H ILE 80 3.832 2.052 -3.636 607 HA ILE 80 HA ILE 80 2.723 4.295 -2.250 608 HB ILE 80 HB ILE 80 4.918 2.421 -1.355 609 1HG1 ILE 80 1HG1 ILE 80 1.937 2.283 -0.834 610 2HG1 ILE 80 2HG1 ILE 80 2.792 1.284 -2.005 611 1HG2 ILE 80 1HG2 ILE 80 4.315 3.118 0.892 612 2HG2 ILE 80 2HG2 ILE 80 3.068 4.185 0.250 613 3HG2 ILE 80 3HG2 ILE 80 4.768 4.522 -0.075 614 1HD1 ILE 80 1HD1 ILE 80 2.366 0.078 0.060 615 2HD1 ILE 80 2HD1 ILE 80 3.257 1.300 0.968 616 3HD1 ILE 80 3HD1 ILE 80 4.097 0.287 -0.207 617 H GLY 81 H GLY 81 6.137 3.391 -2.858 618 1HA GLY 81 1HA GLY 81 7.982 4.701 -3.261 619 2HA GLY 81 2HA GLY 81 6.876 5.963 -3.773 620 H GLY 82 H GLY 82 9.159 6.691 -2.508 621 1HA GLY 82 1HA GLY 82 9.433 8.446 -0.923 622 2HA GLY 82 2HA GLY 82 8.095 7.782 0.001 623 H GLU 83 H GLU 83 9.788 8.244 1.719 624 HA GLU 83 HA GLU 83 12.078 6.608 1.960 625 1HB GLU 83 1HB GLU 83 11.981 8.586 3.282 626 2HB GLU 83 2HB GLU 83 10.434 8.129 3.980 627 1HG GLU 83 1HG GLU 83 11.464 6.357 5.233 628 2HG GLU 83 2HG GLU 83 13.016 6.659 4.451 629 H ARG 84 H ARG 84 8.736 6.076 2.545 630 HA ARG 84 HA ARG 84 8.738 4.036 4.418 631 1HB ARG 84 1HB ARG 84 6.673 5.025 3.719 632 2HB ARG 84 2HB ARG 84 6.950 4.580 2.045 633 1HG ARG 84 1HG ARG 84 6.652 2.466 4.142 634 2HG ARG 84 2HG ARG 84 5.234 3.259 3.448 635 1HD ARG 84 1HD ARG 84 6.181 2.651 1.175 636 2HD ARG 84 2HD ARG 84 7.329 1.629 2.033 637 HE ARG 84 HE ARG 84 4.409 1.259 2.191 638 1HH1 ARG 84 1HH1 ARG 84 7.656 0.004 2.016 639 2HH1 ARG 84 2HH1 ARG 84 7.151 -1.653 2.011 640 1HH2 ARG 84 1HH2 ARG 84 3.740 -0.919 2.182 641 2HH2 ARG 84 2HH2 ARG 84 4.929 -2.176 2.104 642 H VAL 85 H VAL 85 8.579 3.625 0.893 643 HA VAL 85 HA VAL 85 9.052 0.855 0.902 644 HB VAL 85 HB VAL 85 9.631 1.189 -1.517 645 1HG1 VAL 85 1HG1 VAL 85 7.392 1.815 -2.180 646 2HG1 VAL 85 2HG1 VAL 85 7.109 2.579 -0.615 647 3HG1 VAL 85 3HG1 VAL 85 7.313 0.830 -0.719 648 1HG2 VAL 85 1HG2 VAL 85 9.240 4.069 -0.738 649 2HG2 VAL 85 2HG2 VAL 85 9.182 3.497 -2.402 650 3HG2 VAL 85 3HG2 VAL 85 10.666 3.330 -1.467 651 H ARG 86 H ARG 86 11.173 3.569 1.107 652 HA ARG 86 HA ARG 86 13.545 2.546 0.102 653 1HB ARG 86 1HB ARG 86 12.802 4.852 1.382 654 2HB ARG 86 2HB ARG 86 13.848 4.098 2.577 655 1HG ARG 86 1HG ARG 86 14.621 4.618 -0.286 656 2HG ARG 86 2HG ARG 86 15.028 5.664 1.076 657 1HD ARG 86 1HD ARG 86 16.275 3.854 2.115 658 2HD ARG 86 2HD ARG 86 15.827 2.769 0.798 659 HE ARG 86 HE ARG 86 17.066 4.883 -0.422 660 1HH1 ARG 86 1HH1 ARG 86 17.928 2.595 2.061 661 2HH1 ARG 86 2HH1 ARG 86 19.617 2.622 1.680 662 1HH2 ARG 86 1HH2 ARG 86 19.289 4.924 -0.931 663 2HH2 ARG 86 2HH2 ARG 86 20.390 3.946 -0.019 664 H ALA 87 H ALA 87 11.921 1.955 3.120 665 HA ALA 87 HA ALA 87 14.151 0.455 4.226 666 1HB ALA 87 1HB ALA 87 12.757 0.192 6.197 667 2HB ALA 87 2HB ALA 87 11.383 0.889 5.337 668 3HB ALA 87 3HB ALA 87 12.798 1.880 5.688 669 H ALA 88 H ALA 88 11.236 -0.140 2.473 670 HA ALA 88 HA ALA 88 10.830 -2.837 3.255 671 1HB ALA 88 1HB ALA 88 9.236 -2.947 1.471 672 2HB ALA 88 2HB ALA 88 9.920 -1.509 0.711 673 3HB ALA 88 3HB ALA 88 9.089 -1.377 2.261 674 H MET 89 H MET 89 12.369 -1.395 0.362 675 HA MET 89 HA MET 89 13.009 -3.921 -0.773 676 1HB MET 89 1HB MET 89 14.303 -2.659 -2.385 677 2HB MET 89 2HB MET 89 12.762 -1.860 -2.106 678 1HG MET 89 1HG MET 89 14.445 -0.688 -0.263 679 2HG MET 89 2HG MET 89 15.454 -0.908 -1.685 680 1HE MET 89 1HE MET 89 15.854 1.586 -2.296 681 2HE MET 89 2HE MET 89 15.134 1.928 -0.725 682 3HE MET 89 3HE MET 89 14.606 2.822 -2.151 683 H GLU 90 H GLU 90 14.614 -1.755 1.449 684 HA GLU 90 HA GLU 90 17.203 -2.913 1.240 685 1HB GLU 90 1HB GLU 90 15.867 -1.215 3.340 686 2HB GLU 90 2HB GLU 90 17.506 -1.820 3.540 687 1HG GLU 90 1HG GLU 90 16.554 -0.076 1.280 688 2HG GLU 90 2HG GLU 90 17.455 0.471 2.692 689 H LYS 91 H LYS 91 14.461 -3.431 3.421 690 HA LYS 91 HA LYS 91 15.755 -5.345 5.065 691 1HB LYS 91 1HB LYS 91 13.715 -4.066 5.713 692 2HB LYS 91 2HB LYS 91 12.791 -5.021 4.562 693 1HG LYS 91 1HG LYS 91 12.455 -5.905 6.762 694 2HG LYS 91 2HG LYS 91 13.404 -7.059 5.825 695 1HD LYS 91 1HD LYS 91 15.445 -6.282 6.893 696 2HD LYS 91 2HD LYS 91 14.534 -5.063 7.787 697 1HE LYS 91 1HE LYS 91 13.263 -6.861 8.892 698 2HE LYS 91 2HE LYS 91 14.234 -8.056 8.031 699 1HZ LYS 91 1HZ LYS 91 15.108 -7.753 10.226 700 2HZ LYS 91 2HZ LYS 91 15.212 -6.078 10.017 701 3HZ LYS 91 3HZ LYS 91 16.213 -7.104 9.119 702 H LEU 92 H LEU 92 14.085 -5.532 2.010 703 HA LEU 92 HA LEU 92 13.905 -8.418 2.106 704 1HB LEU 92 1HB LEU 92 12.108 -7.764 0.912 705 2HB LEU 92 2HB LEU 92 12.845 -6.250 0.430 706 HG LEU 92 HG LEU 92 14.184 -7.592 -1.248 707 1HD1 LEU 92 1HD1 LEU 92 12.086 -9.675 -0.655 708 2HD1 LEU 92 2HD1 LEU 92 13.784 -9.797 -0.196 709 3HD1 LEU 92 3HD1 LEU 92 13.332 -9.757 -1.900 710 1HD2 LEU 92 1HD2 LEU 92 11.194 -7.602 -1.601 711 2HD2 LEU 92 2HD2 LEU 92 12.413 -7.550 -2.872 712 3HD2 LEU 92 3HD2 LEU 92 12.217 -6.179 -1.782 713 H ALA 93 H ALA 93 15.982 -5.933 0.850 714 HA ALA 93 HA ALA 93 17.382 -7.492 -1.062 715 1HB ALA 93 1HB ALA 93 17.472 -5.068 -1.115 716 2HB ALA 93 2HB ALA 93 19.096 -5.730 -0.932 717 3HB ALA 93 3HB ALA 93 18.263 -5.040 0.460 718 H GLU 94 H GLU 94 17.487 -7.281 2.374 719 HA GLU 94 HA GLU 94 20.134 -8.383 2.665 720 1HB GLU 94 1HB GLU 94 19.200 -6.872 4.362 721 2HB GLU 94 2HB GLU 94 17.912 -8.023 4.688 722 1HG GLU 94 1HG GLU 94 19.587 -9.653 5.440 723 2HG GLU 94 2HG GLU 94 20.852 -8.457 5.163 724 H THR 95 H THR 95 16.893 -9.560 2.393 725 HA THR 95 HA THR 95 17.868 -12.315 2.786 726 HB THR 95 HB THR 95 15.554 -12.924 3.465 727 HG1 THR 95 HG1 THR 95 14.672 -10.906 2.454 728 1HG2 THR 95 1HG2 THR 95 16.778 -10.761 5.180 729 2HG2 THR 95 2HG2 THR 95 17.284 -12.450 5.158 730 3HG2 THR 95 3HG2 THR 95 15.668 -12.021 5.720 731 H GLY 96 H GLY 96 17.667 -10.495 0.446 732 1HA GLY 96 1HA GLY 96 15.534 -11.128 -1.227 733 2HA GLY 96 2HA GLY 96 17.125 -10.618 -1.765 734 H THR 97 H THR 97 14.925 -12.878 -2.190 735 HA THR 97 HA THR 97 16.910 -14.832 -3.087 736 HB THR 97 HB THR 97 16.247 -15.818 -1.028 737 HG1 THR 97 HG1 THR 97 14.581 -17.475 -2.137 738 1HG2 THR 97 1HG2 THR 97 14.250 -14.461 -0.606 739 2HG2 THR 97 2HG2 THR 97 13.916 -16.179 -0.389 740 3HG2 THR 97 3HG2 THR 97 13.378 -15.355 -1.852 741 H GLY 98 H GLY 98 16.519 -15.549 -5.091 742 1HA GLY 98 1HA GLY 98 15.469 -15.885 -7.104 743 2HA GLY 98 2HA GLY 98 13.974 -16.038 -6.192 744 H PHE 99 H PHE 99 12.616 -14.873 -7.454 745 HA PHE 99 HA PHE 99 13.238 -12.466 -8.766 746 1HB PHE 99 1HB PHE 99 11.359 -13.713 -9.524 747 2HB PHE 99 2HB PHE 99 10.629 -13.727 -7.926 748 HD1 PHE 99 HD1 PHE 99 9.107 -12.082 -7.294 749 HD2 PHE 99 HD2 PHE 99 11.496 -11.501 -10.766 750 HE1 PHE 99 HE1 PHE 99 7.752 -10.120 -7.888 751 HE2 PHE 99 HE2 PHE 99 10.146 -9.531 -11.366 752 HZ PHE 99 HZ PHE 99 8.268 -8.840 -9.924 753 H ALA 100 H ALA 100 12.000 -13.147 -5.551 754 HA ALA 100 HA ALA 100 11.119 -10.635 -4.767 755 1HB ALA 100 1HB ALA 100 11.508 -11.362 -2.491 756 2HB ALA 100 2HB ALA 100 12.566 -12.654 -3.057 757 3HB ALA 100 3HB ALA 100 10.846 -12.690 -3.444 758 H ARG 101 H ARG 101 14.392 -11.915 -4.933 759 HA ARG 101 HA ARG 101 15.660 -9.800 -3.530 760 1HB ARG 101 1HB ARG 101 16.572 -12.128 -4.024 761 2HB ARG 101 2HB ARG 101 16.910 -11.545 -5.645 762 1HG ARG 101 1HG ARG 101 17.984 -10.110 -3.247 763 2HG ARG 101 2HG ARG 101 18.799 -11.531 -3.901 764 1HD ARG 101 1HD ARG 101 18.861 -10.387 -6.114 765 2HD ARG 101 2HD ARG 101 18.206 -8.947 -5.335 766 HE ARG 101 HE ARG 101 20.303 -9.177 -3.864 767 1HH1 ARG 101 1HH1 ARG 101 20.119 -10.015 -7.241 768 2HH1 ARG 101 2HH1 ARG 101 21.791 -9.683 -7.548 769 1HH2 ARG 101 1HH2 ARG 101 22.506 -8.733 -4.259 770 2HH2 ARG 101 2HH2 ARG 101 23.148 -8.955 -5.852 771 H LYS 102 H LYS 102 15.722 -10.565 -7.017 772 HA LYS 102 HA LYS 102 16.972 -8.271 -7.905 773 1HB LYS 102 1HB LYS 102 16.535 -10.250 -9.305 774 2HB LYS 102 2HB LYS 102 14.825 -9.844 -9.341 775 1HG LYS 102 1HG LYS 102 15.332 -7.767 -10.510 776 2HG LYS 102 2HG LYS 102 17.053 -8.150 -10.455 777 1HD LYS 102 1HD LYS 102 14.992 -9.910 -11.775 778 2HD LYS 102 2HD LYS 102 15.919 -8.677 -12.632 779 1HE LYS 102 1HE LYS 102 17.994 -9.795 -12.027 780 2HE LYS 102 2HE LYS 102 17.095 -11.004 -11.112 781 1HZ LYS 102 1HZ LYS 102 17.681 -11.871 -13.260 782 2HZ LYS 102 2HZ LYS 102 16.961 -10.558 -14.045 783 3HZ LYS 102 3HZ LYS 102 16.003 -11.663 -13.195 784 H VAL 103 H VAL 103 13.766 -8.647 -6.738 785 HA VAL 103 HA VAL 103 12.543 -6.434 -8.003 786 HB VAL 103 HB VAL 103 11.926 -8.062 -5.565 787 1HG1 VAL 103 1HG1 VAL 103 10.459 -5.568 -6.435 788 2HG1 VAL 103 2HG1 VAL 103 11.267 -5.841 -4.891 789 3HG1 VAL 103 3HG1 VAL 103 9.821 -6.760 -5.304 790 1HG2 VAL 103 1HG2 VAL 103 10.341 -7.515 -8.070 791 2HG2 VAL 103 2HG2 VAL 103 9.997 -8.725 -6.833 792 3HG2 VAL 103 3HG2 VAL 103 11.426 -8.886 -7.851 793 H ALA 104 H ALA 104 13.923 -6.791 -4.737 794 HA ALA 104 HA ALA 104 13.490 -4.214 -3.821 795 1HB ALA 104 1HB ALA 104 15.774 -6.072 -3.184 796 2HB ALA 104 2HB ALA 104 14.216 -5.996 -2.363 797 3HB ALA 104 3HB ALA 104 15.335 -4.641 -2.252 798 H VAL 105 H VAL 105 16.577 -5.456 -5.081 799 HA VAL 105 HA VAL 105 17.937 -3.048 -5.136 800 HB VAL 105 HB VAL 105 18.351 -5.304 -7.094 801 1HG1 VAL 105 1HG1 VAL 105 20.641 -4.537 -7.178 802 2HG1 VAL 105 2HG1 VAL 105 20.300 -3.292 -5.977 803 3HG1 VAL 105 3HG1 VAL 105 19.559 -3.202 -7.574 804 1HG2 VAL 105 1HG2 VAL 105 19.310 -4.979 -4.257 805 2HG2 VAL 105 2HG2 VAL 105 20.009 -6.123 -5.402 806 3HG2 VAL 105 3HG2 VAL 105 18.321 -6.281 -4.919 807 H ASN 106 H ASN 106 16.388 -4.638 -7.936 808 HA ASN 106 HA ASN 106 16.875 -2.598 -9.767 809 1HB ASN 106 1HB ASN 106 15.866 -5.030 -10.031 810 2HB ASN 106 2HB ASN 106 14.339 -4.158 -9.978 811 1HD2 ASN 106 1HD2 ASN 106 15.702 -1.788 -11.234 812 2HD2 ASN 106 2HD2 ASN 106 15.795 -2.186 -12.910 813 H TYR 107 H TYR 107 14.338 -2.846 -7.328 814 HA TYR 107 HA TYR 107 12.581 -0.963 -8.457 815 1HB TYR 107 1HB TYR 107 11.735 -2.433 -6.819 816 2HB TYR 107 2HB TYR 107 13.006 -2.017 -5.675 817 HD1 TYR 107 HD1 TYR 107 12.419 -0.737 -3.958 818 HD2 TYR 107 HD2 TYR 107 10.319 -0.263 -7.594 819 HE1 TYR 107 HE1 TYR 107 10.971 0.945 -2.872 820 HE2 TYR 107 HE2 TYR 107 8.865 1.416 -6.558 821 HH TYR 107 HH TYR 107 9.526 2.947 -3.744 822 H LEU 108 H LEU 108 15.533 -0.672 -6.683 823 HA LEU 108 HA LEU 108 15.385 1.829 -5.543 824 1HB LEU 108 1HB LEU 108 17.592 0.244 -6.758 825 2HB LEU 108 2HB LEU 108 17.905 1.921 -6.387 826 HG LEU 108 HG LEU 108 18.550 0.147 -4.653 827 1HD1 LEU 108 1HD1 LEU 108 16.858 2.486 -3.804 828 2HD1 LEU 108 2HD1 LEU 108 18.564 2.558 -4.243 829 3HD1 LEU 108 3HD1 LEU 108 18.059 1.653 -2.816 830 1HD2 LEU 108 1HD2 LEU 108 16.783 -0.441 -3.061 831 2HD2 LEU 108 2HD2 LEU 108 16.505 -1.134 -4.657 832 3HD2 LEU 108 3HD2 LEU 108 15.588 0.280 -4.140 833 H GLU 109 H GLU 109 15.545 0.988 -8.902 834 HA GLU 109 HA GLU 109 16.500 3.319 -10.055 835 1HB GLU 109 1HB GLU 109 14.345 1.453 -11.058 836 2HB GLU 109 2HB GLU 109 15.111 2.696 -12.036 837 1HG GLU 109 1HG GLU 109 16.564 0.411 -10.727 838 2HG GLU 109 2HG GLU 109 16.033 0.441 -12.407 839 H THR 110 H THR 110 13.689 2.943 -8.202 840 HA THR 110 HA THR 110 12.638 5.502 -9.212 841 HB THR 110 HB THR 110 10.407 4.768 -8.308 842 HG1 THR 110 HG1 THR 110 11.535 2.159 -8.341 843 1HG2 THR 110 1HG2 THR 110 10.978 4.662 -10.710 844 2HG2 THR 110 2HG2 THR 110 9.860 3.387 -10.228 845 3HG2 THR 110 3HG2 THR 110 11.566 3.015 -10.479 846 H HIS 111 H HIS 111 11.609 3.787 -6.294 847 HA HIS 111 HA HIS 111 12.595 6.074 -4.725 848 1HB HIS 111 1HB HIS 111 10.412 4.192 -3.821 849 2HB HIS 111 2HB HIS 111 10.795 5.803 -3.221 850 HD1 HIS 111 HD1 HIS 111 9.713 7.776 -4.373 851 HD2 HIS 111 HD2 HIS 111 9.055 4.179 -6.347 852 HE1 HIS 111 HE1 HIS 111 7.989 8.281 -6.132 853 HE2 HIS 111 HE2 HIS 111 7.637 6.099 -7.343 Start of MODEL 10 1 H MET 1 H MET 1 -15.892 11.698 15.637 2 HA MET 1 HA MET 1 -18.224 11.114 15.700 3 1HB MET 1 1HB MET 1 -17.179 11.956 18.411 4 2HB MET 1 2HB MET 1 -18.395 10.723 18.101 5 1HG MET 1 1HG MET 1 -15.495 10.622 17.303 6 2HG MET 1 2HG MET 1 -16.266 9.702 18.594 7 1HE MET 1 1HE MET 1 -15.383 7.336 17.621 8 2HE MET 1 2HE MET 1 -14.481 8.344 16.489 9 3HE MET 1 3HE MET 1 -15.424 6.977 15.895 10 H ALA 2 H ALA 2 -17.661 14.337 15.886 11 HA ALA 2 HA ALA 2 -20.093 15.099 17.272 12 1HB ALA 2 1HB ALA 2 -18.043 16.443 17.499 13 2HB ALA 2 2HB ALA 2 -19.392 17.381 16.859 14 3HB ALA 2 3HB ALA 2 -18.117 16.820 15.778 15 H ASP 3 H ASP 3 -18.877 14.919 13.969 16 HA ASP 3 HA ASP 3 -21.153 16.218 12.815 17 1HB ASP 3 1HB ASP 3 -20.198 15.550 10.668 18 2HB ASP 3 2HB ASP 3 -18.955 16.237 11.709 19 H GLU 4 H GLU 4 -22.454 15.079 11.089 20 HA GLU 4 HA GLU 4 -23.597 12.677 12.268 21 1HB GLU 4 1HB GLU 4 -24.534 14.389 9.958 22 2HB GLU 4 2HB GLU 4 -25.426 13.036 10.643 23 1HG GLU 4 1HG GLU 4 -25.544 14.215 12.788 24 2HG GLU 4 2HG GLU 4 -24.682 15.576 12.076 25 H ASN 5 H ASN 5 -21.207 11.985 11.365 26 HA ASN 5 HA ASN 5 -19.974 10.779 9.867 27 1HB ASN 5 1HB ASN 5 -21.139 8.672 9.149 28 2HB ASN 5 2HB ASN 5 -21.207 9.002 10.876 29 1HD2 ASN 5 1HD2 ASN 5 -23.161 9.547 11.821 30 2HD2 ASN 5 2HD2 ASN 5 -24.673 9.312 11.017 31 H LYS 6 H LYS 6 -19.657 12.375 8.280 32 HA LYS 6 HA LYS 6 -21.145 11.861 5.792 33 1HB LYS 6 1HB LYS 6 -21.809 14.031 6.792 34 2HB LYS 6 2HB LYS 6 -20.130 14.550 6.735 35 1HG LYS 6 1HG LYS 6 -20.129 14.488 4.337 36 2HG LYS 6 2HG LYS 6 -21.749 13.789 4.315 37 1HD LYS 6 1HD LYS 6 -21.082 16.496 5.468 38 2HD LYS 6 2HD LYS 6 -21.687 16.235 3.830 39 1HE LYS 6 1HE LYS 6 -23.708 15.191 4.758 40 2HE LYS 6 2HE LYS 6 -23.105 15.489 6.388 41 1HZ LYS 6 1HZ LYS 6 -24.674 17.184 5.759 42 2HZ LYS 6 2HZ LYS 6 -23.791 17.553 4.365 43 3HZ LYS 6 3HZ LYS 6 -23.134 17.876 5.890 44 H TRP 7 H TRP 7 -18.160 12.218 7.408 45 HA TRP 7 HA TRP 7 -16.710 12.088 4.844 46 1HB TRP 7 1HB TRP 7 -15.728 13.143 7.507 47 2HB TRP 7 2HB TRP 7 -14.777 13.055 6.028 48 HD1 TRP 7 HD1 TRP 7 -17.337 15.186 7.801 49 HE1 TRP 7 HE1 TRP 7 -17.769 17.318 6.426 50 HE3 TRP 7 HE3 TRP 7 -14.863 13.903 3.517 51 HZ2 TRP 7 HZ2 TRP 7 -17.144 18.323 3.864 52 HZ3 TRP 7 HZ3 TRP 7 -14.828 15.505 1.649 53 HH2 TRP 7 HH2 TRP 7 -15.946 17.668 1.821 54 H VAL 8 H VAL 8 -17.687 9.744 5.644 55 HA VAL 8 HA VAL 8 -15.349 8.177 6.092 56 HB VAL 8 HB VAL 8 -15.882 8.906 8.424 57 1HG1 VAL 8 1HG1 VAL 8 -18.342 8.934 8.147 58 2HG1 VAL 8 2HG1 VAL 8 -17.810 8.028 9.562 59 3HG1 VAL 8 3HG1 VAL 8 -18.326 7.171 8.109 60 1HG2 VAL 8 1HG2 VAL 8 -14.612 6.891 8.073 61 2HG2 VAL 8 2HG2 VAL 8 -16.087 5.962 7.807 62 3HG2 VAL 8 3HG2 VAL 8 -15.744 6.633 9.402 63 H ARG 9 H ARG 9 -18.774 8.478 5.633 64 HA ARG 9 HA ARG 9 -18.849 5.707 4.640 65 1HB ARG 9 1HB ARG 9 -20.266 6.064 6.643 66 2HB ARG 9 2HB ARG 9 -21.153 7.306 5.772 67 1HG ARG 9 1HG ARG 9 -21.899 5.639 4.149 68 2HG ARG 9 2HG ARG 9 -21.006 4.393 5.024 69 1HD ARG 9 1HD ARG 9 -22.380 4.853 7.020 70 2HD ARG 9 2HD ARG 9 -23.303 6.032 6.088 71 HE ARG 9 HE ARG 9 -23.410 3.655 4.680 72 1HH1 ARG 9 1HH1 ARG 9 -24.406 4.835 7.803 73 2HH1 ARG 9 2HH1 ARG 9 -25.747 3.747 7.930 74 1HH2 ARG 9 1HH2 ARG 9 -25.171 2.219 4.838 75 2HH2 ARG 9 2HH2 ARG 9 -26.181 2.257 6.245 76 H ARG 10 H ARG 10 -19.656 9.052 4.043 77 HA ARG 10 HA ARG 10 -21.244 8.725 1.757 78 1HB ARG 10 1HB ARG 10 -20.944 10.884 2.926 79 2HB ARG 10 2HB ARG 10 -19.280 10.948 2.359 80 1HG ARG 10 1HG ARG 10 -20.137 10.948 0.026 81 2HG ARG 10 2HG ARG 10 -21.773 11.059 0.678 82 1HD ARG 10 1HD ARG 10 -21.194 13.157 1.786 83 2HD ARG 10 2HD ARG 10 -19.550 13.042 1.156 84 HE ARG 10 HE ARG 10 -21.793 13.139 -0.728 85 1HH1 ARG 10 1HH1 ARG 10 -18.971 14.621 0.680 86 2HH1 ARG 10 2HH1 ARG 10 -18.857 15.855 -0.529 87 1HH2 ARG 10 1HH2 ARG 10 -21.646 14.758 -2.330 88 2HH2 ARG 10 2HH2 ARG 10 -20.375 15.931 -2.242 89 H ASP 11 H ASP 11 -20.787 8.285 -0.337 90 HA ASP 11 HA ASP 11 -19.620 7.823 -2.245 91 1HB ASP 11 1HB ASP 11 -18.237 9.813 -1.710 92 2HB ASP 11 2HB ASP 11 -17.174 8.786 -0.752 93 H VAL 12 H VAL 12 -18.702 6.579 0.827 94 HA VAL 12 HA VAL 12 -16.890 4.579 -0.008 95 HB VAL 12 HB VAL 12 -18.664 4.725 2.432 96 1HG1 VAL 12 1HG1 VAL 12 -18.132 2.400 1.999 97 2HG1 VAL 12 2HG1 VAL 12 -17.209 2.983 3.386 98 3HG1 VAL 12 3HG1 VAL 12 -16.425 2.802 1.818 99 1HG2 VAL 12 1HG2 VAL 12 -17.044 6.481 2.405 100 2HG2 VAL 12 2HG2 VAL 12 -15.760 5.361 1.949 101 3HG2 VAL 12 3HG2 VAL 12 -16.495 5.255 3.548 102 H SER 13 H SER 13 -20.159 3.962 1.269 103 HA SER 13 HA SER 13 -21.755 2.444 0.718 104 1HB SER 13 1HB SER 13 -21.755 3.595 -1.456 105 2HB SER 13 2HB SER 13 -20.462 2.537 -2.019 106 HG SER 13 HG SER 13 -23.007 2.097 -2.228 107 H THR 14 H THR 14 -19.368 1.134 -1.541 108 HA THR 14 HA THR 14 -19.667 -1.513 -0.684 109 HB THR 14 HB THR 14 -17.448 -1.892 -1.868 110 HG1 THR 14 HG1 THR 14 -17.737 0.769 -2.779 111 1HG2 THR 14 1HG2 THR 14 -19.678 -0.466 -3.322 112 2HG2 THR 14 2HG2 THR 14 -19.535 -2.202 -3.045 113 3HG2 THR 14 3HG2 THR 14 -18.392 -1.382 -4.108 114 H ALA 15 H ALA 15 -17.740 -2.867 0.134 115 HA ALA 15 HA ALA 15 -16.817 -1.582 2.591 116 1HB ALA 15 1HB ALA 15 -16.806 -4.494 1.820 117 2HB ALA 15 2HB ALA 15 -18.024 -3.687 2.808 118 3HB ALA 15 3HB ALA 15 -16.367 -3.836 3.397 119 H LEU 16 H LEU 16 -15.324 -4.041 0.458 120 HA LEU 16 HA LEU 16 -12.722 -2.951 1.130 121 1HB LEU 16 1HB LEU 16 -11.762 -4.898 0.277 122 2HB LEU 16 2HB LEU 16 -13.222 -5.416 1.093 123 HG LEU 16 HG LEU 16 -12.937 -5.093 -1.896 124 1HD1 LEU 16 1HD1 LEU 16 -12.972 -7.577 -0.186 125 2HD1 LEU 16 2HD1 LEU 16 -11.567 -6.917 -1.023 126 3HD1 LEU 16 3HD1 LEU 16 -12.937 -7.532 -1.950 127 1HD2 LEU 16 1HD2 LEU 16 -15.161 -6.213 -0.191 128 2HD2 LEU 16 2HD2 LEU 16 -15.074 -6.335 -1.949 129 3HD2 LEU 16 3HD2 LEU 16 -15.221 -4.755 -1.181 130 H SER 17 H SER 17 -14.900 -2.910 -1.585 131 HA SER 17 HA SER 17 -13.084 -2.347 -3.641 132 1HB SER 17 1HB SER 17 -15.441 -2.856 -4.081 133 2HB SER 17 2HB SER 17 -15.922 -1.347 -3.308 134 HG SER 17 HG SER 17 -15.856 -0.988 -5.499 135 H ARG 18 H ARG 18 -14.911 -0.109 -1.573 136 HA ARG 18 HA ARG 18 -12.738 1.817 -1.720 137 1HB ARG 18 1HB ARG 18 -15.550 2.421 -2.640 138 2HB ARG 18 2HB ARG 18 -14.393 3.668 -2.198 139 1HG ARG 18 1HG ARG 18 -13.770 1.629 -4.306 140 2HG ARG 18 2HG ARG 18 -14.665 3.105 -4.673 141 1HD ARG 18 1HD ARG 18 -12.365 3.516 -5.149 142 2HD ARG 18 2HD ARG 18 -12.778 4.406 -3.685 143 HE ARG 18 HE ARG 18 -11.741 1.918 -2.939 144 1HH1 ARG 18 1HH1 ARG 18 -10.702 4.873 -4.462 145 2HH1 ARG 18 2HH1 ARG 18 -9.065 4.732 -3.918 146 1HH2 ARG 18 1HH2 ARG 18 -9.583 1.722 -2.214 147 2HH2 ARG 18 2HH2 ARG 18 -8.428 2.941 -2.638 148 H MET 19 H MET 19 -12.321 2.204 0.345 149 HA MET 19 HA MET 19 -14.573 2.679 2.179 150 1HB MET 19 1HB MET 19 -13.173 1.512 3.937 151 2HB MET 19 2HB MET 19 -13.871 0.476 2.702 152 1HG MET 19 1HG MET 19 -11.100 1.550 2.399 153 2HG MET 19 2HG MET 19 -11.410 0.131 3.395 154 1HE MET 19 1HE MET 19 -9.784 -1.314 1.967 155 2HE MET 19 2HE MET 19 -9.412 0.039 0.899 156 3HE MET 19 3HE MET 19 -9.890 -1.515 0.217 157 H GLY 20 H GLY 20 -11.088 3.019 1.644 158 1HA GLY 20 1HA GLY 20 -9.620 4.676 2.202 159 2HA GLY 20 2HA GLY 20 -11.010 5.746 2.311 160 H ASP 21 H ASP 21 -8.968 3.501 4.057 161 HA ASP 21 HA ASP 21 -8.305 3.405 6.221 162 1HB ASP 21 1HB ASP 21 -8.141 5.900 5.949 163 2HB ASP 21 2HB ASP 21 -9.763 6.023 6.624 164 H GLU 22 H GLU 22 -11.295 2.863 5.240 165 HA GLU 22 HA GLU 22 -12.431 2.595 7.937 166 1HB GLU 22 1HB GLU 22 -13.846 3.792 6.354 167 2HB GLU 22 2HB GLU 22 -13.773 2.441 5.234 168 1HG GLU 22 1HG GLU 22 -15.888 2.489 6.427 169 2HG GLU 22 2HG GLU 22 -14.968 1.036 6.814 170 H ALA 23 H ALA 23 -11.886 0.742 4.951 171 HA ALA 23 HA ALA 23 -12.314 -1.722 6.500 172 1HB ALA 23 1HB ALA 23 -12.876 -2.853 4.528 173 2HB ALA 23 2HB ALA 23 -12.180 -1.599 3.505 174 3HB ALA 23 3HB ALA 23 -13.674 -1.286 4.388 175 H PHE 24 H PHE 24 -9.865 0.097 6.187 176 HA PHE 24 HA PHE 24 -7.829 -1.100 4.775 177 1HB PHE 24 1HB PHE 24 -7.916 1.049 6.275 178 2HB PHE 24 2HB PHE 24 -7.323 -0.035 7.527 179 HD1 PHE 24 HD1 PHE 24 -5.648 -1.743 5.521 180 HD2 PHE 24 HD2 PHE 24 -5.980 2.426 6.272 181 HE1 PHE 24 HE1 PHE 24 -3.364 -1.427 4.711 182 HE2 PHE 24 HE2 PHE 24 -3.692 2.753 5.457 183 HZ PHE 24 HZ PHE 24 -2.374 0.826 4.672 184 H GLU 25 H GLU 25 -8.876 -1.801 8.098 185 HA GLU 25 HA GLU 25 -6.945 -3.759 8.634 186 1HB GLU 25 1HB GLU 25 -9.360 -2.771 9.902 187 2HB GLU 25 2HB GLU 25 -9.148 -4.502 10.110 188 1HG GLU 25 1HG GLU 25 -6.936 -4.144 11.045 189 2HG GLU 25 2HG GLU 25 -7.101 -2.408 10.792 190 HA PRO 26 HA PRO 26 -10.431 -7.100 7.567 191 1HB PRO 26 1HB PRO 26 -11.933 -6.056 5.399 192 2HB PRO 26 2HB PRO 26 -12.526 -6.465 7.007 193 1HG PRO 26 1HG PRO 26 -11.853 -3.844 5.862 194 2HG PRO 26 2HG PRO 26 -12.927 -4.239 7.209 195 1HD PRO 26 1HD PRO 26 -10.487 -3.065 7.517 196 2HD PRO 26 2HD PRO 26 -11.238 -4.086 8.754 197 H LEU 27 H LEU 27 -8.801 -4.840 5.577 198 HA LEU 27 HA LEU 27 -8.468 -6.575 3.308 199 1HB LEU 27 1HB LEU 27 -8.398 -4.432 2.569 200 2HB LEU 27 2HB LEU 27 -7.829 -3.821 4.115 201 HG LEU 27 HG LEU 27 -5.552 -4.684 3.512 202 1HD1 LEU 27 1HD1 LEU 27 -5.066 -5.205 1.204 203 2HD1 LEU 27 2HD1 LEU 27 -6.756 -4.959 0.762 204 3HD1 LEU 27 3HD1 LEU 27 -6.305 -6.306 1.808 205 1HD2 LEU 27 1HD2 LEU 27 -5.042 -2.813 2.030 206 2HD2 LEU 27 2HD2 LEU 27 -6.157 -2.327 3.306 207 3HD2 LEU 27 3HD2 LEU 27 -6.760 -2.621 1.674 208 H LEU 28 H LEU 28 -6.608 -5.455 6.070 209 HA LEU 28 HA LEU 28 -4.229 -6.914 5.362 210 1HB LEU 28 1HB LEU 28 -3.751 -4.980 6.548 211 2HB LEU 28 2HB LEU 28 -5.110 -5.184 7.634 212 HG LEU 28 HG LEU 28 -3.872 -7.070 8.723 213 1HD1 LEU 28 1HD1 LEU 28 -1.657 -6.098 6.928 214 2HD1 LEU 28 2HD1 LEU 28 -2.358 -7.715 6.990 215 3HD1 LEU 28 3HD1 LEU 28 -1.406 -7.113 8.347 216 1HD2 LEU 28 1HD2 LEU 28 -2.329 -5.602 9.949 217 2HD2 LEU 28 2HD2 LEU 28 -3.914 -4.864 9.718 218 3HD2 LEU 28 3HD2 LEU 28 -2.553 -4.361 8.716 219 H GLU 29 H GLU 29 -7.139 -7.525 7.078 220 HA GLU 29 HA GLU 29 -6.168 -9.620 8.755 221 1HB GLU 29 1HB GLU 29 -8.198 -8.327 9.289 222 2HB GLU 29 2HB GLU 29 -8.993 -9.004 7.875 223 1HG GLU 29 1HG GLU 29 -8.917 -11.209 8.820 224 2HG GLU 29 2HG GLU 29 -7.962 -10.632 10.186 225 H SER 30 H SER 30 -7.570 -9.402 5.553 226 HA SER 30 HA SER 30 -8.085 -12.153 5.165 227 1HB SER 30 1HB SER 30 -7.542 -9.970 3.139 228 2HB SER 30 2HB SER 30 -8.178 -11.570 2.755 229 HG SER 30 HG SER 30 -9.677 -9.652 3.165 230 H LEU 31 H LEU 31 -5.184 -10.372 5.261 231 HA LEU 31 HA LEU 31 -3.615 -11.924 3.480 232 1HB LEU 31 1HB LEU 31 -2.945 -10.099 5.772 233 2HB LEU 31 2HB LEU 31 -1.696 -10.976 4.907 234 HG LEU 31 HG LEU 31 -3.632 -9.109 3.544 235 1HD1 LEU 31 1HD1 LEU 31 -2.375 -7.823 5.155 236 2HD1 LEU 31 2HD1 LEU 31 -1.783 -7.482 3.530 237 3HD1 LEU 31 3HD1 LEU 31 -0.865 -8.542 4.598 238 1HD2 LEU 31 1HD2 LEU 31 -2.518 -10.824 2.149 239 2HD2 LEU 31 2HD2 LEU 31 -0.956 -10.191 2.670 240 3HD2 LEU 31 3HD2 LEU 31 -2.049 -9.177 1.727 241 H SER 32 H SER 32 -5.071 -12.760 6.339 242 HA SER 32 HA SER 32 -2.989 -14.696 7.078 243 1HB SER 32 1HB SER 32 -5.463 -13.828 8.597 244 2HB SER 32 2HB SER 32 -4.246 -14.962 9.183 245 HG SER 32 HG SER 32 -2.974 -12.782 8.407 246 H ASN 33 H ASN 33 -5.267 -14.666 4.914 247 HA ASN 33 HA ASN 33 -6.928 -16.881 5.578 248 1HB ASN 33 1HB ASN 33 -7.468 -15.097 3.882 249 2HB ASN 33 2HB ASN 33 -6.287 -15.845 2.811 250 1HD2 ASN 33 1HD2 ASN 33 -8.360 -17.620 4.991 251 2HD2 ASN 33 2HD2 ASN 33 -9.321 -18.376 3.771 252 H GLU 34 H GLU 34 -6.778 -19.010 5.008 253 HA GLU 34 HA GLU 34 -4.247 -20.183 4.862 254 1HB GLU 34 1HB GLU 34 -6.913 -21.376 4.080 255 2HB GLU 34 2HB GLU 34 -5.444 -22.282 4.417 256 1HG GLU 34 1HG GLU 34 -5.474 -21.595 6.711 257 2HG GLU 34 2HG GLU 34 -6.823 -20.500 6.409 258 H ASP 35 H ASP 35 -6.506 -19.270 2.330 259 HA ASP 35 HA ASP 35 -4.998 -20.584 0.251 260 1HB ASP 35 1HB ASP 35 -7.253 -18.578 0.037 261 2HB ASP 35 2HB ASP 35 -6.610 -19.553 -1.282 262 H TRP 36 H TRP 36 -3.707 -19.624 -1.304 263 HA TRP 36 HA TRP 36 -2.495 -17.113 -0.497 264 1HB TRP 36 1HB TRP 36 -0.969 -17.662 -2.511 265 2HB TRP 36 2HB TRP 36 -0.861 -18.678 -1.078 266 HD1 TRP 36 HD1 TRP 36 -2.289 -18.729 -4.657 267 HE1 TRP 36 HE1 TRP 36 -2.551 -21.187 -5.380 268 HE3 TRP 36 HE3 TRP 36 -1.086 -21.014 -0.244 269 HZ2 TRP 36 HZ2 TRP 36 -2.284 -23.748 -4.237 270 HZ3 TRP 36 HZ3 TRP 36 -1.115 -23.474 -0.144 271 HH2 TRP 36 HH2 TRP 36 -1.702 -24.808 -2.105 272 H ARG 37 H ARG 37 -4.498 -18.376 -3.077 273 HA ARG 37 HA ARG 37 -4.255 -16.294 -4.922 274 1HB ARG 37 1HB ARG 37 -6.582 -18.117 -4.298 275 2HB ARG 37 2HB ARG 37 -6.577 -16.993 -5.650 276 1HG ARG 37 1HG ARG 37 -4.515 -19.149 -5.263 277 2HG ARG 37 2HG ARG 37 -5.976 -19.340 -6.235 278 1HD ARG 37 1HD ARG 37 -3.857 -17.238 -6.676 279 2HD ARG 37 2HD ARG 37 -3.990 -18.746 -7.582 280 HE ARG 37 HE ARG 37 -6.400 -17.205 -7.643 281 1HH1 ARG 37 1HH1 ARG 37 -3.246 -17.568 -9.084 282 2HH1 ARG 37 2HH1 ARG 37 -3.713 -16.857 -10.593 283 1HH2 ARG 37 1HH2 ARG 37 -7.022 -16.277 -9.629 284 2HH2 ARG 37 2HH2 ARG 37 -5.859 -16.126 -10.903 285 H ILE 38 H ILE 38 -6.204 -16.598 -2.018 286 HA ILE 38 HA ILE 38 -7.645 -14.141 -2.477 287 HB ILE 38 HB ILE 38 -7.427 -15.747 0.074 288 1HG1 ILE 38 1HG1 ILE 38 -8.301 -17.111 -1.784 289 2HG1 ILE 38 2HG1 ILE 38 -9.541 -16.788 -0.577 290 1HG2 ILE 38 1HG2 ILE 38 -9.380 -13.635 -0.824 291 2HG2 ILE 38 2HG2 ILE 38 -8.211 -13.515 0.492 292 3HG2 ILE 38 3HG2 ILE 38 -9.573 -14.628 0.621 293 1HD1 ILE 38 1HD1 ILE 38 -10.527 -15.100 -1.993 294 2HD1 ILE 38 2HD1 ILE 38 -10.377 -16.619 -2.876 295 3HD1 ILE 38 3HD1 ILE 38 -9.238 -15.307 -3.179 296 H ARG 39 H ARG 39 -4.964 -15.243 -0.463 297 HA ARG 39 HA ARG 39 -4.597 -12.872 1.006 298 1HB ARG 39 1HB ARG 39 -3.612 -15.082 1.586 299 2HB ARG 39 2HB ARG 39 -2.514 -14.921 0.222 300 1HG ARG 39 1HG ARG 39 -1.666 -12.810 1.295 301 2HG ARG 39 2HG ARG 39 -2.610 -13.251 2.718 302 1HD ARG 39 1HD ARG 39 -0.413 -14.888 1.457 303 2HD ARG 39 2HD ARG 39 -0.295 -13.968 2.956 304 HE ARG 39 HE ARG 39 -2.421 -15.819 3.121 305 1HH1 ARG 39 1HH1 ARG 39 1.059 -15.659 3.132 306 2HH1 ARG 39 2HH1 ARG 39 1.252 -17.095 4.080 307 1HH2 ARG 39 1HH2 ARG 39 -2.177 -17.721 4.362 308 2HH2 ARG 39 2HH2 ARG 39 -0.587 -18.269 4.778 309 H GLY 40 H GLY 40 -3.903 -13.677 -2.251 310 1HA GLY 40 1HA GLY 40 -1.733 -11.893 -2.697 311 2HA GLY 40 2HA GLY 40 -2.764 -12.599 -3.932 312 H ALA 41 H ALA 41 -5.109 -11.619 -3.816 313 HA ALA 41 HA ALA 41 -5.073 -9.080 -4.795 314 1HB ALA 41 1HB ALA 41 -7.452 -8.985 -4.424 315 2HB ALA 41 2HB ALA 41 -7.348 -10.255 -3.205 316 3HB ALA 41 3HB ALA 41 -6.999 -10.623 -4.894 317 H ALA 42 H ALA 42 -5.177 -10.036 -1.418 318 HA ALA 42 HA ALA 42 -5.860 -7.556 -0.294 319 1HB ALA 42 1HB ALA 42 -4.895 -8.408 1.771 320 2HB ALA 42 2HB ALA 42 -4.081 -9.694 0.881 321 3HB ALA 42 3HB ALA 42 -5.842 -9.663 0.974 322 H ALA 43 H ALA 43 -2.666 -9.018 -0.847 323 HA ALA 43 HA ALA 43 -1.122 -6.786 -0.062 324 1HB ALA 43 1HB ALA 43 -0.418 -8.981 -2.008 325 2HB ALA 43 2HB ALA 43 -0.245 -9.072 -0.255 326 3HB ALA 43 3HB ALA 43 0.713 -7.914 -1.177 327 H TRP 44 H TRP 44 -2.741 -7.650 -3.014 328 HA TRP 44 HA TRP 44 -1.337 -5.973 -4.796 329 1HB TRP 44 1HB TRP 44 -3.928 -7.447 -4.853 330 2HB TRP 44 2HB TRP 44 -3.640 -6.222 -6.082 331 HD1 TRP 44 HD1 TRP 44 -1.733 -9.301 -4.669 332 HE1 TRP 44 HE1 TRP 44 -0.556 -10.469 -6.635 333 HE3 TRP 44 HE3 TRP 44 -3.086 -6.118 -8.430 334 HZ2 TRP 44 HZ2 TRP 44 -0.236 -10.092 -9.409 335 HZ3 TRP 44 HZ3 TRP 44 -2.305 -6.594 -10.714 336 HH2 TRP 44 HH2 TRP 44 -0.912 -8.542 -11.193 337 H ILE 45 H ILE 45 -4.151 -5.428 -2.734 338 HA ILE 45 HA ILE 45 -4.460 -2.732 -3.842 339 HB ILE 45 HB ILE 45 -6.243 -4.157 -1.865 340 1HG1 ILE 45 1HG1 ILE 45 -6.214 -5.358 -3.991 341 2HG1 ILE 45 2HG1 ILE 45 -7.754 -4.531 -3.778 342 1HG2 ILE 45 1HG2 ILE 45 -6.426 -1.733 -1.769 343 2HG2 ILE 45 2HG2 ILE 45 -7.883 -2.440 -2.468 344 3HG2 ILE 45 3HG2 ILE 45 -6.689 -1.669 -3.511 345 1HD1 ILE 45 1HD1 ILE 45 -7.014 -4.317 -6.055 346 2HD1 ILE 45 2HD1 ILE 45 -5.470 -3.651 -5.528 347 3HD1 ILE 45 3HD1 ILE 45 -6.958 -2.739 -5.271 348 H ILE 46 H ILE 46 -3.278 -4.384 -1.061 349 HA ILE 46 HA ILE 46 -3.648 -2.405 0.885 350 HB ILE 46 HB ILE 46 -2.802 -4.892 1.064 351 1HG1 ILE 46 1HG1 ILE 46 -1.718 -2.856 3.001 352 2HG1 ILE 46 2HG1 ILE 46 -3.440 -3.199 2.857 353 1HG2 ILE 46 1HG2 ILE 46 -0.674 -4.489 -0.087 354 2HG2 ILE 46 2HG2 ILE 46 -0.437 -5.068 1.561 355 3HG2 ILE 46 3HG2 ILE 46 -0.209 -3.360 1.187 356 1HD1 ILE 46 1HD1 ILE 46 -2.941 -5.578 3.367 357 2HD1 ILE 46 2HD1 ILE 46 -2.564 -4.460 4.678 358 3HD1 ILE 46 3HD1 ILE 46 -1.269 -5.107 3.672 359 H GLY 47 H GLY 47 -1.040 -2.848 -1.473 360 1HA GLY 47 1HA GLY 47 0.726 -0.930 -0.401 361 2HA GLY 47 2HA GLY 47 0.707 -1.482 -2.067 362 H ASN 48 H ASN 48 -2.311 -0.417 -1.690 363 HA ASN 48 HA ASN 48 -1.847 1.973 -3.158 364 1HB ASN 48 1HB ASN 48 -4.335 0.807 -1.909 365 2HB ASN 48 2HB ASN 48 -4.342 2.298 -2.843 366 1HD2 ASN 48 1HD2 ASN 48 -2.310 -0.471 -3.550 367 2HD2 ASN 48 2HD2 ASN 48 -3.086 -0.895 -5.033 368 H PHE 49 H PHE 49 -3.042 1.388 0.155 369 HA PHE 49 HA PHE 49 -3.342 4.113 0.821 370 1HB PHE 49 1HB PHE 49 -2.992 1.676 2.564 371 2HB PHE 49 2HB PHE 49 -3.403 3.273 3.176 372 HD1 PHE 49 HD1 PHE 49 -4.573 0.650 0.816 373 HD2 PHE 49 HD2 PHE 49 -5.624 3.933 3.312 374 HE1 PHE 49 HE1 PHE 49 -6.957 0.188 0.417 375 HE2 PHE 49 HE2 PHE 49 -8.003 3.479 2.913 376 HZ PHE 49 HZ PHE 49 -8.675 1.605 1.467 377 H GLN 50 H GLN 50 -0.570 2.013 0.837 378 HA GLN 50 HA GLN 50 1.635 2.369 1.280 379 1HB GLN 50 1HB GLN 50 1.217 5.322 1.459 380 2HB GLN 50 2HB GLN 50 2.542 4.425 0.729 381 1HG GLN 50 1HG GLN 50 0.838 3.674 -1.009 382 2HG GLN 50 2HG GLN 50 -0.189 4.951 -0.367 383 1HE2 GLN 50 1HE2 GLN 50 2.095 6.681 0.233 384 2HE2 GLN 50 2HE2 GLN 50 2.611 7.325 -1.285 385 H ASP 51 H ASP 51 -0.539 2.492 3.459 386 HA ASP 51 HA ASP 51 0.774 4.003 5.552 387 1HB ASP 51 1HB ASP 51 -1.749 3.728 5.302 388 2HB ASP 51 2HB ASP 51 -1.527 2.090 5.904 389 H GLU 52 H GLU 52 0.746 2.640 7.787 390 HA GLU 52 HA GLU 52 2.974 0.951 7.630 391 1HB GLU 52 1HB GLU 52 2.473 0.431 10.023 392 2HB GLU 52 2HB GLU 52 2.555 2.148 9.654 393 1HG GLU 52 1HG GLU 52 0.134 2.282 9.631 394 2HG GLU 52 2HG GLU 52 0.021 0.549 9.936 395 H ARG 53 H ARG 53 -0.482 0.181 7.777 396 HA ARG 53 HA ARG 53 -0.120 -2.595 8.241 397 1HB ARG 53 1HB ARG 53 -2.522 -1.988 6.708 398 2HB ARG 53 2HB ARG 53 -2.359 -2.705 8.300 399 1HG ARG 53 1HG ARG 53 -1.953 -0.331 9.136 400 2HG ARG 53 2HG ARG 53 -2.569 0.189 7.566 401 1HD ARG 53 1HD ARG 53 -4.622 -1.139 8.005 402 2HD ARG 53 2HD ARG 53 -4.007 -1.483 9.620 403 HE ARG 53 HE ARG 53 -4.240 1.319 8.885 404 1HH1 ARG 53 1HH1 ARG 53 -5.604 -1.422 10.553 405 2HH1 ARG 53 2HH1 ARG 53 -6.660 -0.460 11.532 406 1HH2 ARG 53 1HH2 ARG 53 -5.621 2.588 10.173 407 2HH2 ARG 53 2HH2 ARG 53 -6.666 1.819 11.321 408 H ALA 54 H ALA 54 0.594 -0.721 5.566 409 HA ALA 54 HA ALA 54 0.250 -2.970 3.700 410 1HB ALA 54 1HB ALA 54 0.489 -1.327 1.910 411 2HB ALA 54 2HB ALA 54 0.722 -0.051 3.107 412 3HB ALA 54 3HB ALA 54 -0.824 -0.894 3.006 413 H VAL 55 H VAL 55 2.530 -1.434 5.587 414 HA VAL 55 HA VAL 55 4.773 -1.692 3.795 415 HB VAL 55 HB VAL 55 4.584 -0.974 6.717 416 1HG1 VAL 55 1HG1 VAL 55 7.003 -1.162 4.939 417 2HG1 VAL 55 2HG1 VAL 55 6.698 -2.034 6.441 418 3HG1 VAL 55 3HG1 VAL 55 6.974 -0.292 6.473 419 1HG2 VAL 55 1HG2 VAL 55 3.718 0.705 5.185 420 2HG2 VAL 55 2HG2 VAL 55 5.219 0.660 4.261 421 3HG2 VAL 55 3HG2 VAL 55 5.221 1.257 5.921 422 H GLU 56 H GLU 56 3.677 -3.341 6.759 423 HA GLU 56 HA GLU 56 5.807 -5.149 6.931 424 1HB GLU 56 1HB GLU 56 4.170 -4.724 8.746 425 2HB GLU 56 2HB GLU 56 2.965 -5.623 7.834 426 1HG GLU 56 1HG GLU 56 3.736 -7.217 9.297 427 2HG GLU 56 2HG GLU 56 4.730 -7.523 7.870 428 HA PRO 57 HA PRO 57 2.621 -8.214 4.512 429 1HB PRO 57 1HB PRO 57 2.043 -6.019 2.561 430 2HB PRO 57 2HB PRO 57 1.061 -7.424 2.995 431 1HG PRO 57 1HG PRO 57 0.504 -5.030 4.005 432 2HG PRO 57 2HG PRO 57 0.369 -6.490 5.001 433 1HD PRO 57 1HD PRO 57 2.410 -4.339 5.067 434 2HD PRO 57 2HD PRO 57 1.835 -5.393 6.373 435 H LEU 58 H LEU 58 4.142 -5.560 2.680 436 HA LEU 58 HA LEU 58 5.211 -7.052 0.621 437 1HB LEU 58 1HB LEU 58 6.632 -4.689 1.818 438 2HB LEU 58 2HB LEU 58 6.627 -5.214 0.146 439 HG LEU 58 HG LEU 58 4.350 -3.930 1.648 440 1HD1 LEU 58 1HD1 LEU 58 5.930 -3.024 -0.746 441 2HD1 LEU 58 2HD1 LEU 58 6.106 -2.408 0.896 442 3HD1 LEU 58 3HD1 LEU 58 4.599 -2.155 0.016 443 1HD2 LEU 58 1HD2 LEU 58 4.379 -4.950 -1.186 444 2HD2 LEU 58 2HD2 LEU 58 3.058 -4.092 -0.391 445 3HD2 LEU 58 3HD2 LEU 58 3.522 -5.702 0.159 446 H ILE 59 H ILE 59 6.502 -6.580 3.862 447 HA ILE 59 HA ILE 59 9.114 -7.497 3.375 448 HB ILE 59 HB ILE 59 7.553 -7.730 5.946 449 1HG1 ILE 59 1HG1 ILE 59 7.556 -5.424 5.108 450 2HG1 ILE 59 2HG1 ILE 59 8.563 -5.573 6.544 451 1HG2 ILE 59 1HG2 ILE 59 9.565 -9.082 5.956 452 2HG2 ILE 59 2HG2 ILE 59 9.765 -7.684 7.013 453 3HG2 ILE 59 3HG2 ILE 59 10.521 -7.700 5.420 454 1HD1 ILE 59 1HD1 ILE 59 9.625 -4.149 4.917 455 2HD1 ILE 59 2HD1 ILE 59 9.525 -5.418 3.697 456 3HD1 ILE 59 3HD1 ILE 59 10.557 -5.633 5.111 457 H LYS 60 H LYS 60 6.439 -9.284 4.930 458 HA LYS 60 HA LYS 60 7.812 -11.778 4.770 459 1HB LYS 60 1HB LYS 60 5.725 -12.752 5.607 460 2HB LYS 60 2HB LYS 60 6.207 -11.344 6.543 461 1HG LYS 60 1HG LYS 60 4.383 -10.172 5.966 462 2HG LYS 60 2HG LYS 60 4.388 -10.783 4.310 463 1HD LYS 60 1HD LYS 60 3.390 -12.856 5.021 464 2HD LYS 60 2HD LYS 60 3.513 -12.378 6.716 465 1HE LYS 60 1HE LYS 60 1.952 -10.551 6.332 466 2HE LYS 60 2HE LYS 60 1.867 -10.962 4.621 467 1HZ LYS 60 1HZ LYS 60 -0.028 -11.823 5.862 468 2HZ LYS 60 2HZ LYS 60 1.004 -12.726 6.850 469 3HZ LYS 60 3HZ LYS 60 0.888 -13.083 5.201 470 H LEU 61 H LEU 61 5.875 -10.046 2.546 471 HA LEU 61 HA LEU 61 4.858 -12.323 1.118 472 1HB LEU 61 1HB LEU 61 4.771 -9.383 0.827 473 2HB LEU 61 2HB LEU 61 4.554 -10.323 -0.635 474 HG LEU 61 HG LEU 61 2.538 -11.218 0.072 475 1HD1 LEU 61 1HD1 LEU 61 3.214 -12.127 2.199 476 2HD1 LEU 61 2HD1 LEU 61 1.752 -11.166 2.423 477 3HD1 LEU 61 3HD1 LEU 61 3.318 -10.512 2.899 478 1HD2 LEU 61 1HD2 LEU 61 1.201 -9.357 0.907 479 2HD2 LEU 61 2HD2 LEU 61 2.350 -8.818 -0.318 480 3HD2 LEU 61 3HD2 LEU 61 2.670 -8.511 1.388 481 H LEU 62 H LEU 62 7.355 -9.886 0.408 482 HA LEU 62 HA LEU 62 8.145 -11.025 -2.048 483 1HB LEU 62 1HB LEU 62 9.759 -9.321 -0.145 484 2HB LEU 62 2HB LEU 62 10.138 -9.619 -1.831 485 HG LEU 62 HG LEU 62 7.643 -8.210 -0.882 486 1HD1 LEU 62 1HD1 LEU 62 8.668 -6.151 -1.483 487 2HD1 LEU 62 2HD1 LEU 62 10.087 -6.974 -2.128 488 3HD1 LEU 62 3HD1 LEU 62 9.773 -6.986 -0.392 489 1HD2 LEU 62 1HD2 LEU 62 8.859 -8.505 -3.627 490 2HD2 LEU 62 2HD2 LEU 62 7.424 -7.560 -3.227 491 3HD2 LEU 62 3HD2 LEU 62 7.404 -9.314 -3.045 492 H GLU 63 H GLU 63 8.429 -12.140 1.063 493 HA GLU 63 HA GLU 63 10.747 -13.832 0.408 494 1HB GLU 63 1HB GLU 63 9.633 -12.912 3.058 495 2HB GLU 63 2HB GLU 63 10.834 -14.183 2.915 496 1HG GLU 63 1HG GLU 63 11.183 -11.355 1.955 497 2HG GLU 63 2HG GLU 63 11.818 -12.008 3.464 498 H ASP 64 H ASP 64 7.390 -13.752 0.929 499 HA ASP 64 HA ASP 64 6.897 -16.272 2.046 500 1HB ASP 64 1HB ASP 64 5.331 -14.168 1.325 501 2HB ASP 64 2HB ASP 64 4.924 -15.346 0.080 502 H ASP 65 H ASP 65 6.813 -15.267 -1.298 503 HA ASP 65 HA ASP 65 7.280 -16.340 -3.251 504 1HB ASP 65 1HB ASP 65 9.196 -17.334 -1.894 505 2HB ASP 65 2HB ASP 65 8.166 -18.741 -1.649 506 H SER 66 H SER 66 4.748 -16.583 -1.701 507 HA SER 66 HA SER 66 3.722 -19.197 -2.371 508 1HB SER 66 1HB SER 66 2.390 -16.709 -1.294 509 2HB SER 66 2HB SER 66 1.542 -18.224 -1.584 510 HG SER 66 HG SER 66 2.451 -19.073 0.125 511 H GLY 67 H GLY 67 4.364 -16.490 -4.151 512 1HA GLY 67 1HA GLY 67 3.974 -16.427 -6.494 513 2HA GLY 67 2HA GLY 67 2.502 -17.356 -6.252 514 H PHE 68 H PHE 68 0.588 -16.289 -5.995 515 HA PHE 68 HA PHE 68 0.295 -13.671 -6.859 516 1HB PHE 68 1HB PHE 68 -1.432 -15.681 -6.222 517 2HB PHE 68 2HB PHE 68 -1.714 -14.571 -4.886 518 HD1 PHE 68 HD1 PHE 68 -1.873 -11.981 -5.771 519 HD2 PHE 68 HD2 PHE 68 -2.851 -15.491 -7.982 520 HE1 PHE 68 HE1 PHE 68 -3.377 -10.664 -7.202 521 HE2 PHE 68 HE2 PHE 68 -4.349 -14.174 -9.417 522 HZ PHE 68 HZ PHE 68 -4.615 -11.757 -9.028 523 H VAL 69 H VAL 69 0.957 -14.949 -3.703 524 HA VAL 69 HA VAL 69 0.429 -12.565 -2.231 525 HB VAL 69 HB VAL 69 2.214 -14.849 -1.403 526 1HG1 VAL 69 1HG1 VAL 69 0.663 -12.772 0.119 527 2HG1 VAL 69 2HG1 VAL 69 2.409 -13.019 0.095 528 3HG1 VAL 69 3HG1 VAL 69 1.360 -14.208 0.866 529 1HG2 VAL 69 1HG2 VAL 69 0.258 -15.929 -0.470 530 2HG2 VAL 69 2HG2 VAL 69 0.036 -15.684 -2.202 531 3HG2 VAL 69 3HG2 VAL 69 -0.772 -14.621 -1.052 532 H ARG 70 H ARG 70 3.409 -14.119 -3.426 533 HA ARG 70 HA ARG 70 5.126 -12.087 -2.423 534 1HB ARG 70 1HB ARG 70 5.834 -14.435 -2.982 535 2HB ARG 70 2HB ARG 70 5.715 -14.001 -4.682 536 1HG ARG 70 1HG ARG 70 7.392 -12.218 -4.295 537 2HG ARG 70 2HG ARG 70 7.564 -12.790 -2.638 538 1HD ARG 70 1HD ARG 70 7.829 -14.876 -4.681 539 2HD ARG 70 2HD ARG 70 9.073 -13.628 -4.744 540 HE ARG 70 HE ARG 70 8.520 -14.894 -2.169 541 1HH1 ARG 70 1HH1 ARG 70 10.613 -14.512 -4.930 542 2HH1 ARG 70 2HH1 ARG 70 11.982 -15.234 -4.154 543 1HH2 ARG 70 1HH2 ARG 70 10.317 -15.850 -1.141 544 2HH2 ARG 70 2HH2 ARG 70 11.814 -15.997 -2.001 545 H SER 71 H SER 71 4.239 -12.897 -5.782 546 HA SER 71 HA SER 71 5.294 -10.656 -7.013 547 1HB SER 71 1HB SER 71 2.795 -12.161 -7.814 548 2HB SER 71 2HB SER 71 3.758 -11.122 -8.862 549 HG SER 71 HG SER 71 5.546 -12.629 -8.259 550 H GLY 72 H GLY 72 2.364 -11.003 -5.175 551 1HA GLY 72 1HA GLY 72 0.975 -8.732 -6.073 552 2HA GLY 72 2HA GLY 72 0.786 -9.484 -4.497 553 H ALA 73 H ALA 73 3.460 -9.105 -3.608 554 HA ALA 73 HA ALA 73 3.260 -6.374 -2.730 555 1HB ALA 73 1HB ALA 73 3.930 -8.076 -1.151 556 2HB ALA 73 2HB ALA 73 5.252 -6.930 -1.373 557 3HB ALA 73 3HB ALA 73 5.311 -8.509 -2.156 558 H ALA 74 H ALA 74 5.326 -8.242 -4.876 559 HA ALA 74 HA ALA 74 7.478 -6.617 -5.279 560 1HB ALA 74 1HB ALA 74 7.641 -7.560 -7.527 561 2HB ALA 74 2HB ALA 74 5.980 -8.140 -7.406 562 3HB ALA 74 3HB ALA 74 7.221 -8.793 -6.338 563 H ARG 75 H ARG 75 4.225 -6.134 -6.539 564 HA ARG 75 HA ARG 75 5.055 -3.913 -8.196 565 1HB ARG 75 1HB ARG 75 2.482 -3.674 -8.438 566 2HB ARG 75 2HB ARG 75 3.291 -5.043 -9.184 567 1HG ARG 75 1HG ARG 75 2.614 -6.481 -7.356 568 2HG ARG 75 2HG ARG 75 1.869 -5.111 -6.530 569 1HD ARG 75 1HD ARG 75 0.378 -6.713 -7.917 570 2HD ARG 75 2HD ARG 75 0.129 -4.971 -8.053 571 HE ARG 75 HE ARG 75 0.699 -5.127 -10.252 572 1HH1 ARG 75 1HH1 ARG 75 2.001 -7.900 -8.589 573 2HH1 ARG 75 2HH1 ARG 75 2.587 -8.652 -10.035 574 1HH2 ARG 75 1HH2 ARG 75 1.465 -6.112 -12.158 575 2HH2 ARG 75 2HH2 ARG 75 2.282 -7.635 -12.063 576 H SER 76 H SER 76 3.546 -4.399 -5.074 577 HA SER 76 HA SER 76 2.548 -1.844 -4.611 578 1HB SER 76 1HB SER 76 3.689 -3.850 -2.663 579 2HB SER 76 2HB SER 76 2.774 -2.416 -2.195 580 HG SER 76 HG SER 76 1.453 -3.810 -4.086 581 H LEU 77 H LEU 77 5.841 -3.087 -4.177 582 HA LEU 77 HA LEU 77 6.958 -0.993 -2.743 583 1HB LEU 77 1HB LEU 77 8.072 -2.830 -4.840 584 2HB LEU 77 2HB LEU 77 9.073 -1.594 -4.105 585 HG LEU 77 HG LEU 77 9.402 -3.777 -3.066 586 1HD1 LEU 77 1HD1 LEU 77 8.061 -1.772 -1.270 587 2HD1 LEU 77 2HD1 LEU 77 9.765 -1.802 -1.717 588 3HD1 LEU 77 3HD1 LEU 77 9.089 -3.097 -0.730 589 1HD2 LEU 77 1HD2 LEU 77 7.590 -4.708 -1.635 590 2HD2 LEU 77 2HD2 LEU 77 7.284 -4.815 -3.368 591 3HD2 LEU 77 3HD2 LEU 77 6.478 -3.578 -2.406 592 H GLU 78 H GLU 78 7.137 -1.384 -6.280 593 HA GLU 78 HA GLU 78 8.032 1.238 -6.781 594 1HB GLU 78 1HB GLU 78 6.601 -0.693 -8.618 595 2HB GLU 78 2HB GLU 78 7.440 0.762 -9.137 596 1HG GLU 78 1HG GLU 78 9.546 -0.144 -8.327 597 2HG GLU 78 2HG GLU 78 8.714 -1.590 -7.758 598 H GLN 79 H GLN 79 4.897 -0.089 -6.232 599 HA GLN 79 HA GLN 79 3.272 1.814 -7.496 600 1HB GLN 79 1HB GLN 79 2.773 -0.456 -6.169 601 2HB GLN 79 2HB GLN 79 2.402 0.684 -4.887 602 1HG GLN 79 1HG GLN 79 0.708 1.723 -6.203 603 2HG GLN 79 2HG GLN 79 1.171 0.789 -7.626 604 1HE2 GLN 79 1HE2 GLN 79 1.603 -1.637 -6.025 605 2HE2 GLN 79 2HE2 GLN 79 0.030 -2.245 -5.655 606 H ILE 80 H ILE 80 4.189 1.618 -4.060 607 HA ILE 80 HA ILE 80 3.146 4.129 -3.343 608 HB ILE 80 HB ILE 80 5.315 2.486 -2.029 609 1HG1 ILE 80 1HG1 ILE 80 2.380 2.774 -1.352 610 2HG1 ILE 80 2HG1 ILE 80 3.067 1.422 -2.244 611 1HG2 ILE 80 1HG2 ILE 80 3.787 4.867 -0.985 612 2HG2 ILE 80 2HG2 ILE 80 5.520 4.774 -1.298 613 3HG2 ILE 80 3HG2 ILE 80 4.806 3.814 -0.003 614 1HD1 ILE 80 1HD1 ILE 80 3.856 2.179 0.559 615 2HD1 ILE 80 2HD1 ILE 80 4.334 0.735 -0.334 616 3HD1 ILE 80 3HD1 ILE 80 2.653 0.956 0.150 617 H GLY 81 H GLY 81 6.507 3.130 -4.000 618 1HA GLY 81 1HA GLY 81 8.360 4.348 -4.588 619 2HA GLY 81 2HA GLY 81 7.233 5.395 -5.435 620 H GLY 82 H GLY 82 8.657 4.772 -2.245 621 1HA GLY 82 1HA GLY 82 9.254 7.508 -1.817 622 2HA GLY 82 2HA GLY 82 7.798 7.072 -0.938 623 H GLU 83 H GLU 83 9.588 7.889 0.688 624 HA GLU 83 HA GLU 83 11.640 6.171 1.499 625 1HB GLU 83 1HB GLU 83 11.641 7.393 3.592 626 2HB GLU 83 2HB GLU 83 11.412 8.513 2.256 627 1HG GLU 83 1HG GLU 83 9.020 8.590 2.718 628 2HG GLU 83 2HG GLU 83 9.238 7.452 4.047 629 H ARG 84 H ARG 84 8.250 5.928 1.845 630 HA ARG 84 HA ARG 84 8.004 4.412 4.183 631 1HB ARG 84 1HB ARG 84 6.304 4.165 1.694 632 2HB ARG 84 2HB ARG 84 5.842 3.714 3.327 633 1HG ARG 84 1HG ARG 84 4.748 5.711 3.058 634 2HG ARG 84 2HG ARG 84 6.237 6.229 3.853 635 1HD ARG 84 1HD ARG 84 7.117 7.118 1.879 636 2HD ARG 84 2HD ARG 84 6.021 6.185 0.858 637 HE ARG 84 HE ARG 84 4.922 8.265 2.606 638 1HH1 ARG 84 1HH1 ARG 84 5.672 7.108 -0.596 639 2HH1 ARG 84 2HH1 ARG 84 4.667 8.273 -1.390 640 1HH2 ARG 84 1HH2 ARG 84 3.602 9.805 1.564 641 2HH2 ARG 84 2HH2 ARG 84 3.490 9.805 -0.165 642 H VAL 85 H VAL 85 7.846 3.235 0.845 643 HA VAL 85 HA VAL 85 8.308 0.527 1.577 644 HB VAL 85 HB VAL 85 8.845 0.455 -1.043 645 1HG1 VAL 85 1HG1 VAL 85 6.106 0.813 0.167 646 2HG1 VAL 85 2HG1 VAL 85 7.012 -0.696 0.058 647 3HG1 VAL 85 3HG1 VAL 85 6.442 0.099 -1.410 648 1HG2 VAL 85 1HG2 VAL 85 7.097 2.895 -0.779 649 2HG2 VAL 85 2HG2 VAL 85 7.681 2.150 -2.267 650 3HG2 VAL 85 3HG2 VAL 85 8.814 2.948 -1.176 651 H ARG 86 H ARG 86 10.343 3.204 0.971 652 HA ARG 86 HA ARG 86 12.644 2.068 -0.071 653 1HB ARG 86 1HB ARG 86 12.433 4.461 0.215 654 2HB ARG 86 2HB ARG 86 12.356 4.285 1.963 655 1HG ARG 86 1HG ARG 86 14.654 3.492 2.003 656 2HG ARG 86 2HG ARG 86 14.737 3.614 0.244 657 1HD ARG 86 1HD ARG 86 14.443 6.001 0.346 658 2HD ARG 86 2HD ARG 86 14.174 5.932 2.088 659 HE ARG 86 HE ARG 86 16.717 4.874 1.253 660 1HH1 ARG 86 1HH1 ARG 86 14.965 7.745 2.171 661 2HH1 ARG 86 2HH1 ARG 86 16.380 8.597 2.690 662 1HH2 ARG 86 1HH2 ARG 86 18.583 5.989 1.926 663 2HH2 ARG 86 2HH2 ARG 86 18.439 7.600 2.546 664 H ALA 87 H ALA 87 11.369 1.937 3.181 665 HA ALA 87 HA ALA 87 13.758 0.765 4.295 666 1HB ALA 87 1HB ALA 87 12.303 2.210 5.650 667 2HB ALA 87 2HB ALA 87 12.480 0.604 6.355 668 3HB ALA 87 3HB ALA 87 11.001 1.031 5.493 669 H ALA 88 H ALA 88 10.795 -0.290 2.851 670 HA ALA 88 HA ALA 88 10.818 -2.955 3.848 671 1HB ALA 88 1HB ALA 88 9.161 -3.398 2.085 672 2HB ALA 88 2HB ALA 88 9.472 -1.800 1.408 673 3HB ALA 88 3HB ALA 88 8.769 -1.955 3.019 674 H MET 89 H MET 89 11.950 -1.458 0.822 675 HA MET 89 HA MET 89 12.841 -3.899 -0.321 676 1HB MET 89 1HB MET 89 13.840 -2.578 -2.037 677 2HB MET 89 2HB MET 89 12.321 -1.812 -1.612 678 1HG MET 89 1HG MET 89 13.781 -0.044 -1.842 679 2HG MET 89 2HG MET 89 13.736 -0.302 -0.099 680 1HE MET 89 1HE MET 89 17.431 0.877 -1.037 681 2HE MET 89 2HE MET 89 16.000 1.280 -0.088 682 3HE MET 89 3HE MET 89 15.935 1.337 -1.848 683 H GLU 90 H GLU 90 14.261 -1.573 1.845 684 HA GLU 90 HA GLU 90 16.953 -2.461 1.571 685 1HB GLU 90 1HB GLU 90 15.487 -0.847 3.644 686 2HB GLU 90 2HB GLU 90 17.156 -1.338 3.896 687 1HG GLU 90 1HG GLU 90 16.211 0.226 1.511 688 2HG GLU 90 2HG GLU 90 16.866 0.955 2.976 689 H LYS 91 H LYS 91 14.205 -3.435 3.480 690 HA LYS 91 HA LYS 91 15.677 -5.112 5.271 691 1HB LYS 91 1HB LYS 91 13.509 -4.195 5.908 692 2HB LYS 91 2HB LYS 91 12.733 -5.058 4.588 693 1HG LYS 91 1HG LYS 91 12.367 -6.153 6.741 694 2HG LYS 91 2HG LYS 91 13.260 -7.183 5.623 695 1HD LYS 91 1HD LYS 91 14.182 -7.277 7.899 696 2HD LYS 91 2HD LYS 91 15.348 -6.630 6.743 697 1HE LYS 91 1HE LYS 91 15.315 -5.378 8.869 698 2HE LYS 91 2HE LYS 91 14.892 -4.376 7.482 699 1HZ LYS 91 1HZ LYS 91 12.529 -4.741 8.072 700 2HZ LYS 91 2HZ LYS 91 13.393 -3.895 9.252 701 3HZ LYS 91 3HZ LYS 91 13.028 -5.529 9.484 702 H LEU 92 H LEU 92 14.174 -5.564 2.126 703 HA LEU 92 HA LEU 92 14.459 -8.439 2.281 704 1HB LEU 92 1HB LEU 92 12.590 -8.037 1.064 705 2HB LEU 92 2HB LEU 92 13.169 -6.489 0.484 706 HG LEU 92 HG LEU 92 14.669 -7.733 -1.084 707 1HD1 LEU 92 1HD1 LEU 92 14.245 -10.050 -1.547 708 2HD1 LEU 92 2HD1 LEU 92 12.945 -10.097 -0.356 709 3HD1 LEU 92 3HD1 LEU 92 14.614 -9.884 0.169 710 1HD2 LEU 92 1HD2 LEU 92 12.724 -6.753 -1.985 711 2HD2 LEU 92 2HD2 LEU 92 11.681 -7.972 -1.253 712 3HD2 LEU 92 3HD2 LEU 92 12.743 -8.410 -2.587 713 H ALA 93 H ALA 93 16.062 -5.664 0.873 714 HA ALA 93 HA ALA 93 17.745 -6.882 -0.961 715 1HB ALA 93 1HB ALA 93 17.507 -4.424 -0.586 716 2HB ALA 93 2HB ALA 93 19.177 -4.970 -0.743 717 3HB ALA 93 3HB ALA 93 18.518 -4.598 0.850 718 H GLU 94 H GLU 94 17.813 -6.878 2.499 719 HA GLU 94 HA GLU 94 20.497 -7.926 2.700 720 1HB GLU 94 1HB GLU 94 19.531 -6.432 4.431 721 2HB GLU 94 2HB GLU 94 18.343 -7.672 4.809 722 1HG GLU 94 1HG GLU 94 20.155 -7.663 6.417 723 2HG GLU 94 2HG GLU 94 20.112 -9.176 5.515 724 H THR 95 H THR 95 17.266 -9.105 2.463 725 HA THR 95 HA THR 95 18.197 -11.872 2.916 726 HB THR 95 HB THR 95 15.810 -12.441 3.356 727 HG1 THR 95 HG1 THR 95 15.191 -9.751 3.779 728 1HG2 THR 95 1HG2 THR 95 15.702 -11.491 5.598 729 2HG2 THR 95 2HG2 THR 95 16.905 -10.278 5.159 730 3HG2 THR 95 3HG2 THR 95 17.352 -11.983 5.218 731 H GLY 96 H GLY 96 18.451 -10.335 0.495 732 1HA GLY 96 1HA GLY 96 16.559 -10.600 -1.446 733 2HA GLY 96 2HA GLY 96 18.280 -10.727 -1.752 734 H THR 97 H THR 97 15.443 -12.191 -2.250 735 HA THR 97 HA THR 97 16.718 -14.721 -2.889 736 HB THR 97 HB THR 97 14.255 -14.631 -1.129 737 HG1 THR 97 HG1 THR 97 16.981 -15.021 -0.626 738 1HG2 THR 97 1HG2 THR 97 15.790 -16.940 -2.324 739 2HG2 THR 97 2HG2 THR 97 14.118 -16.488 -2.657 740 3HG2 THR 97 3HG2 THR 97 14.566 -17.105 -1.066 741 H GLY 98 H GLY 98 15.984 -15.483 -4.786 742 1HA GLY 98 1HA GLY 98 14.629 -15.792 -6.627 743 2HA GLY 98 2HA GLY 98 13.292 -15.154 -5.681 744 H PHE 99 H PHE 99 12.406 -13.750 -7.115 745 HA PHE 99 HA PHE 99 14.109 -11.862 -8.535 746 1HB PHE 99 1HB PHE 99 12.268 -11.393 -9.892 747 2HB PHE 99 2HB PHE 99 12.039 -13.094 -9.502 748 HD1 PHE 99 HD1 PHE 99 10.633 -13.427 -7.210 749 HD2 PHE 99 HD2 PHE 99 10.410 -10.074 -9.822 750 HE1 PHE 99 HE1 PHE 99 8.378 -12.922 -6.368 751 HE2 PHE 99 HE2 PHE 99 8.156 -9.564 -8.980 752 HZ PHE 99 HZ PHE 99 7.138 -10.989 -7.251 753 H ALA 100 H ALA 100 12.255 -12.045 -5.685 754 HA ALA 100 HA ALA 100 11.355 -9.454 -5.294 755 1HB ALA 100 1HB ALA 100 12.459 -11.394 -3.265 756 2HB ALA 100 2HB ALA 100 10.779 -11.252 -3.782 757 3HB ALA 100 3HB ALA 100 11.538 -9.941 -2.878 758 H ARG 101 H ARG 101 14.542 -10.844 -4.630 759 HA ARG 101 HA ARG 101 15.766 -8.712 -3.378 760 1HB ARG 101 1HB ARG 101 16.804 -10.917 -3.700 761 2HB ARG 101 2HB ARG 101 16.957 -10.584 -5.419 762 1HG ARG 101 1HG ARG 101 18.554 -8.860 -5.023 763 2HG ARG 101 2HG ARG 101 18.272 -8.926 -3.282 764 1HD ARG 101 1HD ARG 101 20.346 -10.066 -3.895 765 2HD ARG 101 2HD ARG 101 19.170 -11.183 -3.205 766 HE ARG 101 HE ARG 101 18.942 -11.165 -6.016 767 1HH1 ARG 101 1HH1 ARG 101 21.046 -12.278 -3.467 768 2HH1 ARG 101 2HH1 ARG 101 21.678 -13.598 -4.394 769 1HH2 ARG 101 1HH2 ARG 101 19.770 -12.897 -7.238 770 2HH2 ARG 101 2HH2 ARG 101 20.957 -13.946 -6.537 771 H LYS 102 H LYS 102 15.846 -9.421 -6.873 772 HA LYS 102 HA LYS 102 17.061 -7.056 -7.693 773 1HB LYS 102 1HB LYS 102 16.906 -8.816 -9.273 774 2HB LYS 102 2HB LYS 102 15.162 -8.942 -9.085 775 1HG LYS 102 1HG LYS 102 14.829 -6.867 -10.237 776 2HG LYS 102 2HG LYS 102 16.565 -6.556 -10.278 777 1HD LYS 102 1HD LYS 102 15.178 -8.869 -11.639 778 2HD LYS 102 2HD LYS 102 15.682 -7.378 -12.435 779 1HE LYS 102 1HE LYS 102 18.010 -7.850 -11.840 780 2HE LYS 102 2HE LYS 102 17.504 -9.341 -11.045 781 1HZ LYS 102 1HZ LYS 102 17.281 -8.710 -13.937 782 2HZ LYS 102 2HZ LYS 102 16.639 -10.096 -13.213 783 3HZ LYS 102 3HZ LYS 102 18.311 -9.847 -13.224 784 H VAL 103 H VAL 103 13.752 -7.770 -6.881 785 HA VAL 103 HA VAL 103 12.521 -5.489 -7.977 786 HB VAL 103 HB VAL 103 11.762 -7.370 -5.759 787 1HG1 VAL 103 1HG1 VAL 103 10.832 -5.243 -5.085 788 2HG1 VAL 103 2HG1 VAL 103 9.540 -6.270 -5.704 789 3HG1 VAL 103 3HG1 VAL 103 10.190 -4.971 -6.705 790 1HG2 VAL 103 1HG2 VAL 103 11.594 -8.213 -8.026 791 2HG2 VAL 103 2HG2 VAL 103 10.615 -6.824 -8.494 792 3HG2 VAL 103 3HG2 VAL 103 9.984 -7.998 -7.338 793 H ALA 104 H ALA 104 13.965 -6.097 -4.796 794 HA ALA 104 HA ALA 104 13.190 -3.681 -3.573 795 1HB ALA 104 1HB ALA 104 15.168 -4.193 -2.054 796 2HB ALA 104 2HB ALA 104 15.397 -5.640 -3.038 797 3HB ALA 104 3HB ALA 104 13.890 -5.404 -2.152 798 H VAL 105 H VAL 105 16.321 -4.617 -4.940 799 HA VAL 105 HA VAL 105 17.542 -2.101 -4.653 800 HB VAL 105 HB VAL 105 18.897 -4.073 -4.823 801 1HG1 VAL 105 1HG1 VAL 105 17.930 -4.368 -7.662 802 2HG1 VAL 105 2HG1 VAL 105 17.417 -5.369 -6.304 803 3HG1 VAL 105 3HG1 VAL 105 19.099 -5.396 -6.834 804 1HG2 VAL 105 1HG2 VAL 105 19.360 -2.383 -7.275 805 2HG2 VAL 105 2HG2 VAL 105 20.560 -3.331 -6.396 806 3HG2 VAL 105 3HG2 VAL 105 19.817 -1.923 -5.636 807 H ASN 106 H ASN 106 16.301 -3.679 -7.612 808 HA ASN 106 HA ASN 106 16.865 -1.607 -9.373 809 1HB ASN 106 1HB ASN 106 16.157 -3.835 -10.114 810 2HB ASN 106 2HB ASN 106 14.539 -3.538 -9.486 811 1HD2 ASN 106 1HD2 ASN 106 13.222 -1.991 -10.516 812 2HD2 ASN 106 2HD2 ASN 106 13.510 -1.523 -12.154 813 H TYR 107 H TYR 107 14.163 -1.989 -7.164 814 HA TYR 107 HA TYR 107 12.445 -0.066 -8.230 815 1HB TYR 107 1HB TYR 107 11.452 -1.395 -6.621 816 2HB TYR 107 2HB TYR 107 12.834 -1.297 -5.540 817 HD1 TYR 107 HD1 TYR 107 12.499 -0.184 -3.621 818 HD2 TYR 107 HD2 TYR 107 10.374 1.094 -7.061 819 HE1 TYR 107 HE1 TYR 107 11.438 1.594 -2.290 820 HE2 TYR 107 HE2 TYR 107 9.296 2.872 -5.751 821 HH TYR 107 HH TYR 107 10.366 3.748 -2.632 822 H LEU 108 H LEU 108 15.303 0.266 -6.232 823 HA LEU 108 HA LEU 108 15.006 2.776 -5.150 824 1HB LEU 108 1HB LEU 108 17.174 0.998 -5.705 825 2HB LEU 108 2HB LEU 108 17.665 2.629 -6.111 826 HG LEU 108 HG LEU 108 16.570 1.765 -3.434 827 1HD1 LEU 108 1HD1 LEU 108 18.773 0.812 -3.864 828 2HD1 LEU 108 2HD1 LEU 108 18.859 2.073 -2.633 829 3HD1 LEU 108 3HD1 LEU 108 19.392 2.410 -4.281 830 1HD2 LEU 108 1HD2 LEU 108 17.737 4.384 -4.369 831 2HD2 LEU 108 2HD2 LEU 108 17.342 3.985 -2.697 832 3HD2 LEU 108 3HD2 LEU 108 16.062 4.085 -3.905 833 H GLU 109 H GLU 109 15.297 1.953 -8.465 834 HA GLU 109 HA GLU 109 16.331 4.409 -9.441 835 1HB GLU 109 1HB GLU 109 14.646 2.308 -10.810 836 2HB GLU 109 2HB GLU 109 15.450 3.636 -11.634 837 1HG GLU 109 1HG GLU 109 17.618 2.768 -10.807 838 2HG GLU 109 2HG GLU 109 16.761 1.386 -10.127 839 H THR 110 H THR 110 13.615 4.036 -7.740 840 HA THR 110 HA THR 110 12.035 5.921 -9.356 841 HB THR 110 HB THR 110 11.052 4.281 -7.019 842 HG1 THR 110 HG1 THR 110 11.158 2.697 -8.430 843 1HG2 THR 110 1HG2 THR 110 9.707 6.249 -7.448 844 2HG2 THR 110 2HG2 THR 110 8.830 4.815 -7.983 845 3HG2 THR 110 3HG2 THR 110 9.625 5.854 -9.165 846 H HIS 111 H HIS 111 12.217 5.249 -5.855 847 HA HIS 111 HA HIS 111 12.037 8.099 -5.323 848 1HB HIS 111 1HB HIS 111 10.695 6.498 -3.986 849 2HB HIS 111 2HB HIS 111 12.186 5.779 -3.383 850 HD1 HIS 111 HD1 HIS 111 10.448 9.162 -3.369 851 HD2 HIS 111 HD2 HIS 111 13.078 6.902 -1.079 852 HE1 HIS 111 HE1 HIS 111 10.821 10.491 -1.267 853 HE2 HIS 111 HE2 HIS 111 12.341 9.060 0.144 Start of MODEL 11 1 H MET 1 H MET 1 -22.015 9.231 2.651 2 HA MET 1 HA MET 1 -23.641 7.526 2.543 3 1HB MET 1 1HB MET 1 -22.041 5.784 3.464 4 2HB MET 1 2HB MET 1 -22.437 6.386 5.068 5 1HG MET 1 1HG MET 1 -23.767 4.465 4.668 6 2HG MET 1 2HG MET 1 -24.828 5.872 4.592 7 1HE MET 1 1HE MET 1 -26.680 4.323 3.415 8 2HE MET 1 2HE MET 1 -25.575 2.951 3.480 9 3HE MET 1 3HE MET 1 -26.366 3.373 1.962 10 H ALA 2 H ALA 2 -22.323 9.416 5.102 11 HA ALA 2 HA ALA 2 -25.049 10.019 6.046 12 1HB ALA 2 1HB ALA 2 -23.680 8.673 7.672 13 2HB ALA 2 2HB ALA 2 -24.290 10.208 8.290 14 3HB ALA 2 3HB ALA 2 -22.602 10.063 7.800 15 H ASP 3 H ASP 3 -23.308 11.299 4.016 16 HA ASP 3 HA ASP 3 -22.813 13.392 3.289 17 1HB ASP 3 1HB ASP 3 -25.076 13.864 4.338 18 2HB ASP 3 2HB ASP 3 -24.205 14.443 5.755 19 H GLU 4 H GLU 4 -21.381 11.959 5.718 20 HA GLU 4 HA GLU 4 -19.800 14.246 6.643 21 1HB GLU 4 1HB GLU 4 -20.679 12.659 8.332 22 2HB GLU 4 2HB GLU 4 -19.754 11.369 7.577 23 1HG GLU 4 1HG GLU 4 -17.680 12.531 8.111 24 2HG GLU 4 2HG GLU 4 -18.599 13.841 8.849 25 H ASN 5 H ASN 5 -19.376 11.027 5.191 26 HA ASN 5 HA ASN 5 -16.661 11.808 4.381 27 1HB ASN 5 1HB ASN 5 -17.936 9.065 4.478 28 2HB ASN 5 2HB ASN 5 -16.275 9.402 3.998 29 1HD2 ASN 5 1HD2 ASN 5 -14.802 10.140 5.566 30 2HD2 ASN 5 2HD2 ASN 5 -15.073 9.860 7.249 31 H LYS 6 H LYS 6 -16.564 12.660 2.422 32 HA LYS 6 HA LYS 6 -18.418 11.710 0.350 33 1HB LYS 6 1HB LYS 6 -16.684 14.181 0.274 34 2HB LYS 6 2HB LYS 6 -18.020 13.780 -0.798 35 1HG LYS 6 1HG LYS 6 -19.610 14.079 0.970 36 2HG LYS 6 2HG LYS 6 -18.318 14.287 2.154 37 1HD LYS 6 1HD LYS 6 -17.580 16.310 0.946 38 2HD LYS 6 2HD LYS 6 -18.936 16.116 -0.166 39 1HE LYS 6 1HE LYS 6 -19.152 16.524 2.815 40 2HE LYS 6 2HE LYS 6 -19.407 17.766 1.590 41 1HZ LYS 6 1HZ LYS 6 -21.512 16.911 2.278 42 2HZ LYS 6 2HZ LYS 6 -21.029 15.315 2.000 43 3HZ LYS 6 3HZ LYS 6 -21.227 16.376 0.698 44 H TRP 7 H TRP 7 -15.000 12.419 0.953 45 HA TRP 7 HA TRP 7 -14.267 11.086 -1.549 46 1HB TRP 7 1HB TRP 7 -12.533 12.603 0.415 47 2HB TRP 7 2HB TRP 7 -12.020 11.983 -1.151 48 HD1 TRP 7 HD1 TRP 7 -13.944 14.842 0.454 49 HE1 TRP 7 HE1 TRP 7 -14.422 16.636 -1.329 50 HE3 TRP 7 HE3 TRP 7 -12.434 12.278 -3.703 51 HZ2 TRP 7 HZ2 TRP 7 -14.191 16.925 -4.127 52 HZ3 TRP 7 HZ3 TRP 7 -12.595 13.385 -5.894 53 HH2 TRP 7 HH2 TRP 7 -13.457 15.659 -6.101 54 H VAL 8 H VAL 8 -14.011 8.955 -1.428 55 HA VAL 8 HA VAL 8 -12.102 7.735 0.241 56 HB VAL 8 HB VAL 8 -13.787 8.106 1.997 57 1HG1 VAL 8 1HG1 VAL 8 -15.924 6.960 1.946 58 2HG1 VAL 8 2HG1 VAL 8 -15.559 6.306 0.350 59 3HG1 VAL 8 3HG1 VAL 8 -15.779 8.043 0.561 60 1HG2 VAL 8 1HG2 VAL 8 -13.834 5.847 2.868 61 2HG2 VAL 8 2HG2 VAL 8 -12.285 6.155 2.084 62 3HG2 VAL 8 3HG2 VAL 8 -13.515 5.194 1.261 63 H ARG 9 H ARG 9 -14.794 7.545 -1.928 64 HA ARG 9 HA ARG 9 -14.074 4.792 -2.670 65 1HB ARG 9 1HB ARG 9 -16.434 5.175 -2.066 66 2HB ARG 9 2HB ARG 9 -16.560 6.385 -3.333 67 1HG ARG 9 1HG ARG 9 -16.278 4.737 -5.036 68 2HG ARG 9 2HG ARG 9 -15.887 3.498 -3.843 69 1HD ARG 9 1HD ARG 9 -18.525 4.949 -3.938 70 2HD ARG 9 2HD ARG 9 -18.227 3.418 -4.760 71 HE ARG 9 HE ARG 9 -17.498 3.122 -2.080 72 1HH1 ARG 9 1HH1 ARG 9 -20.363 3.664 -3.988 73 2HH1 ARG 9 2HH1 ARG 9 -21.413 2.848 -2.877 74 1HH2 ARG 9 1HH2 ARG 9 -18.874 2.044 -0.614 75 2HH2 ARG 9 2HH2 ARG 9 -20.567 1.929 -0.960 76 H ARG 10 H ARG 10 -13.269 7.822 -3.533 77 HA ARG 10 HA ARG 10 -13.603 8.041 -6.264 78 1HB ARG 10 1HB ARG 10 -11.427 9.325 -6.232 79 2HB ARG 10 2HB ARG 10 -12.649 9.877 -5.095 80 1HG ARG 10 1HG ARG 10 -11.511 8.768 -3.275 81 2HG ARG 10 2HG ARG 10 -10.327 8.092 -4.394 82 1HD ARG 10 1HD ARG 10 -9.516 10.298 -4.936 83 2HD ARG 10 2HD ARG 10 -10.773 11.039 -3.948 84 HE ARG 10 HE ARG 10 -9.077 9.232 -2.493 85 1HH1 ARG 10 1HH1 ARG 10 -9.468 12.505 -3.626 86 2HH1 ARG 10 2HH1 ARG 10 -8.434 13.184 -2.413 87 1HH2 ARG 10 1HH2 ARG 10 -7.717 10.117 -0.893 88 2HH2 ARG 10 2HH2 ARG 10 -7.439 11.827 -0.861 89 H ASP 11 H ASP 11 -13.320 6.413 -7.640 90 HA ASP 11 HA ASP 11 -12.226 4.953 -9.010 91 1HB ASP 11 1HB ASP 11 -10.267 6.505 -8.762 92 2HB ASP 11 2HB ASP 11 -9.726 5.511 -7.413 93 H VAL 12 H VAL 12 -11.914 4.728 -5.564 94 HA VAL 12 HA VAL 12 -11.021 2.045 -5.404 95 HB VAL 12 HB VAL 12 -12.714 3.428 -3.332 96 1HG1 VAL 12 1HG1 VAL 12 -12.239 1.067 -2.951 97 2HG1 VAL 12 2HG1 VAL 12 -11.407 2.079 -1.770 98 3HG1 VAL 12 3HG1 VAL 12 -10.512 1.381 -3.119 99 1HG2 VAL 12 1HG2 VAL 12 -10.600 4.306 -2.387 100 2HG2 VAL 12 2HG2 VAL 12 -11.002 5.006 -3.954 101 3HG2 VAL 12 3HG2 VAL 12 -9.760 3.760 -3.839 102 H SER 13 H SER 13 -12.287 0.209 -4.633 103 HA SER 13 HA SER 13 -15.152 0.283 -4.929 104 1HB SER 13 1HB SER 13 -14.167 0.071 -7.285 105 2HB SER 13 2HB SER 13 -13.644 -1.541 -6.801 106 HG SER 13 HG SER 13 -15.591 -2.168 -7.232 107 H THR 14 H THR 14 -15.392 -2.542 -5.429 108 HA THR 14 HA THR 14 -15.702 -4.418 -4.203 109 HB THR 14 HB THR 14 -13.270 -4.579 -4.976 110 HG1 THR 14 HG1 THR 14 -13.357 -6.169 -2.751 111 1HG2 THR 14 1HG2 THR 14 -12.822 -3.938 -2.060 112 2HG2 THR 14 2HG2 THR 14 -12.179 -3.075 -3.456 113 3HG2 THR 14 3HG2 THR 14 -11.623 -4.708 -3.098 114 H ALA 15 H ALA 15 -14.759 -5.434 -1.873 115 HA ALA 15 HA ALA 15 -16.361 -4.227 0.053 116 1HB ALA 15 1HB ALA 15 -14.002 -6.025 0.578 117 2HB ALA 15 2HB ALA 15 -15.600 -6.582 0.083 118 3HB ALA 15 3HB ALA 15 -15.393 -5.759 1.629 119 H LEU 16 H LEU 16 -12.873 -3.905 -0.488 120 HA LEU 16 HA LEU 16 -12.117 -2.546 1.774 121 1HB LEU 16 1HB LEU 16 -10.560 -3.288 0.062 122 2HB LEU 16 2HB LEU 16 -11.195 -2.110 -1.067 123 HG LEU 16 HG LEU 16 -8.938 -1.641 0.079 124 1HD1 LEU 16 1HD1 LEU 16 -11.006 0.534 0.256 125 2HD1 LEU 16 2HD1 LEU 16 -10.312 -0.037 -1.259 126 3HD1 LEU 16 3HD1 LEU 16 -9.276 0.700 -0.039 127 1HD2 LEU 16 1HD2 LEU 16 -10.742 -0.712 2.304 128 2HD2 LEU 16 2HD2 LEU 16 -8.984 -0.601 2.229 129 3HD2 LEU 16 3HD2 LEU 16 -9.764 -2.177 2.366 130 H SER 17 H SER 17 -14.040 -1.371 -0.892 131 HA SER 17 HA SER 17 -13.820 1.391 -0.030 132 1HB SER 17 1HB SER 17 -13.962 0.838 -2.438 133 2HB SER 17 2HB SER 17 -15.582 0.193 -2.176 134 HG SER 17 HG SER 17 -14.895 2.835 -1.453 135 H ARG 18 H ARG 18 -16.023 -1.286 0.361 136 HA ARG 18 HA ARG 18 -18.392 0.009 0.957 137 1HB ARG 18 1HB ARG 18 -19.149 -1.981 1.846 138 2HB ARG 18 2HB ARG 18 -17.820 -2.534 0.840 139 1HG ARG 18 1HG ARG 18 -16.395 -2.437 2.942 140 2HG ARG 18 2HG ARG 18 -17.910 -2.260 3.824 141 1HD ARG 18 1HD ARG 18 -18.708 -4.368 2.987 142 2HD ARG 18 2HD ARG 18 -17.302 -4.526 1.934 143 HE ARG 18 HE ARG 18 -16.310 -4.295 4.496 144 1HH1 ARG 18 1HH1 ARG 18 -18.421 -6.479 2.787 145 2HH1 ARG 18 2HH1 ARG 18 -17.976 -7.857 3.737 146 1HH2 ARG 18 1HH2 ARG 18 -15.717 -6.104 5.750 147 2HH2 ARG 18 2HH2 ARG 18 -16.439 -7.644 5.421 148 H MET 19 H MET 19 -15.493 -0.190 2.870 149 HA MET 19 HA MET 19 -16.855 1.350 4.985 150 1HB MET 19 1HB MET 19 -14.439 -0.413 5.407 151 2HB MET 19 2HB MET 19 -15.384 0.406 6.637 152 1HG MET 19 1HG MET 19 -16.178 -1.954 4.963 153 2HG MET 19 2HG MET 19 -15.971 -1.876 6.710 154 1HE MET 19 1HE MET 19 -19.014 0.324 7.810 155 2HE MET 19 2HE MET 19 -17.331 0.771 7.530 156 3HE MET 19 3HE MET 19 -17.716 -0.725 8.381 157 H GLY 20 H GLY 20 -14.138 1.023 2.857 158 1HA GLY 20 1HA GLY 20 -12.765 2.735 2.079 159 2HA GLY 20 2HA GLY 20 -13.414 3.790 3.326 160 H ASP 21 H ASP 21 -11.907 4.443 4.693 161 HA ASP 21 HA ASP 21 -9.378 3.198 4.952 162 1HB ASP 21 1HB ASP 21 -9.713 5.602 5.344 163 2HB ASP 21 2HB ASP 21 -10.717 5.239 6.745 164 H GLU 22 H GLU 22 -12.402 2.764 6.559 165 HA GLU 22 HA GLU 22 -11.302 1.420 8.850 166 1HB GLU 22 1HB GLU 22 -13.500 2.603 8.892 167 2HB GLU 22 2HB GLU 22 -14.142 1.379 7.805 168 1HG GLU 22 1HG GLU 22 -13.937 -0.315 9.441 169 2HG GLU 22 2HG GLU 22 -12.964 0.717 10.487 170 H ALA 23 H ALA 23 -11.833 0.648 5.626 171 HA ALA 23 HA ALA 23 -12.125 -2.215 6.109 172 1HB ALA 23 1HB ALA 23 -12.213 -0.567 3.595 173 2HB ALA 23 2HB ALA 23 -13.542 -1.416 4.382 174 3HB ALA 23 3HB ALA 23 -12.254 -2.328 3.599 175 H PHE 24 H PHE 24 -9.658 -0.124 6.150 176 HA PHE 24 HA PHE 24 -7.702 -1.213 4.465 177 1HB PHE 24 1HB PHE 24 -7.645 0.992 5.719 178 2HB PHE 24 2HB PHE 24 -7.247 0.067 7.160 179 HD1 PHE 24 HD1 PHE 24 -5.300 1.720 7.093 180 HD2 PHE 24 HD2 PHE 24 -5.826 -1.407 4.257 181 HE1 PHE 24 HE1 PHE 24 -2.923 1.845 6.513 182 HE2 PHE 24 HE2 PHE 24 -3.454 -1.288 3.678 183 HZ PHE 24 HZ PHE 24 -1.986 0.342 4.802 184 H GLU 25 H GLU 25 -8.706 -1.915 7.750 185 HA GLU 25 HA GLU 25 -6.722 -3.816 8.351 186 1HB GLU 25 1HB GLU 25 -9.495 -3.421 9.443 187 2HB GLU 25 2HB GLU 25 -8.392 -4.652 10.028 188 1HG GLU 25 1HG GLU 25 -6.797 -2.963 10.690 189 2HG GLU 25 2HG GLU 25 -7.833 -1.700 10.027 190 HA PRO 26 HA PRO 26 -10.329 -7.148 7.093 191 1HB PRO 26 1HB PRO 26 -10.923 -5.452 4.690 192 2HB PRO 26 2HB PRO 26 -11.961 -6.619 5.516 193 1HG PRO 26 1HG PRO 26 -12.192 -3.967 5.907 194 2HG PRO 26 2HG PRO 26 -12.522 -5.148 7.185 195 1HD PRO 26 1HD PRO 26 -10.318 -3.233 6.958 196 2HD PRO 26 2HD PRO 26 -10.867 -4.149 8.370 197 H LEU 27 H LEU 27 -8.271 -5.088 5.178 198 HA LEU 27 HA LEU 27 -7.508 -7.014 3.225 199 1HB LEU 27 1HB LEU 27 -6.336 -4.408 4.164 200 2HB LEU 27 2HB LEU 27 -5.643 -5.335 2.839 201 HG LEU 27 HG LEU 27 -8.435 -4.175 2.883 202 1HD1 LEU 27 1HD1 LEU 27 -7.581 -2.622 1.196 203 2HD1 LEU 27 2HD1 LEU 27 -5.963 -3.293 1.401 204 3HD1 LEU 27 3HD1 LEU 27 -6.739 -2.440 2.735 205 1HD2 LEU 27 1HD2 LEU 27 -6.912 -5.538 0.664 206 2HD2 LEU 27 2HD2 LEU 27 -8.517 -4.816 0.536 207 3HD2 LEU 27 3HD2 LEU 27 -8.264 -6.230 1.559 208 H LEU 28 H LEU 28 -5.731 -5.532 5.929 209 HA LEU 28 HA LEU 28 -3.508 -7.236 5.838 210 1HB LEU 28 1HB LEU 28 -3.418 -5.119 6.991 211 2HB LEU 28 2HB LEU 28 -4.680 -5.619 8.101 212 HG LEU 28 HG LEU 28 -3.111 -7.384 8.959 213 1HD1 LEU 28 1HD1 LEU 28 -0.737 -7.136 8.494 214 2HD1 LEU 28 2HD1 LEU 28 -1.080 -5.830 7.360 215 3HD1 LEU 28 3HD1 LEU 28 -1.627 -7.469 7.009 216 1HD2 LEU 28 1HD2 LEU 28 -2.344 -4.482 9.203 217 2HD2 LEU 28 2HD2 LEU 28 -1.720 -5.762 10.242 218 3HD2 LEU 28 3HD2 LEU 28 -3.445 -5.392 10.238 219 H GLU 29 H GLU 29 -6.670 -7.660 7.162 220 HA GLU 29 HA GLU 29 -5.953 -9.801 8.936 221 1HB GLU 29 1HB GLU 29 -7.877 -8.392 9.444 222 2HB GLU 29 2HB GLU 29 -8.652 -8.873 7.941 223 1HG GLU 29 1HG GLU 29 -9.611 -10.047 9.832 224 2HG GLU 29 2HG GLU 29 -8.800 -11.169 8.740 225 H SER 30 H SER 30 -7.512 -9.519 5.766 226 HA SER 30 HA SER 30 -8.006 -12.276 5.408 227 1HB SER 30 1HB SER 30 -8.249 -11.678 2.994 228 2HB SER 30 2HB SER 30 -9.190 -10.643 4.069 229 HG SER 30 HG SER 30 -7.683 -9.030 3.812 230 H LEU 31 H LEU 31 -5.119 -10.547 5.444 231 HA LEU 31 HA LEU 31 -3.650 -11.986 3.483 232 1HB LEU 31 1HB LEU 31 -2.869 -10.274 5.822 233 2HB LEU 31 2HB LEU 31 -1.660 -11.120 4.878 234 HG LEU 31 HG LEU 31 -3.609 -9.099 3.763 235 1HD1 LEU 31 1HD1 LEU 31 -1.668 -7.624 3.595 236 2HD1 LEU 31 2HD1 LEU 31 -0.676 -8.833 4.411 237 3HD1 LEU 31 3HD1 LEU 31 -2.005 -8.056 5.271 238 1HD2 LEU 31 1HD2 LEU 31 -2.142 -9.186 1.783 239 2HD2 LEU 31 2HD2 LEU 31 -2.940 -10.727 2.102 240 3HD2 LEU 31 3HD2 LEU 31 -1.243 -10.507 2.530 241 H SER 32 H SER 32 -4.945 -12.978 6.375 242 HA SER 32 HA SER 32 -2.874 -15.037 6.753 243 1HB SER 32 1HB SER 32 -3.775 -15.296 9.048 244 2HB SER 32 2HB SER 32 -3.188 -13.661 8.745 245 HG SER 32 HG SER 32 -5.813 -14.593 9.044 246 H ASN 33 H ASN 33 -5.429 -14.777 5.005 247 HA ASN 33 HA ASN 33 -7.195 -16.805 5.909 248 1HB ASN 33 1HB ASN 33 -8.286 -15.473 4.413 249 2HB ASN 33 2HB ASN 33 -6.847 -15.199 3.439 250 1HD2 ASN 33 1HD2 ASN 33 -6.526 -16.378 1.670 251 2HD2 ASN 33 2HD2 ASN 33 -7.564 -17.648 1.130 252 H GLU 34 H GLU 34 -7.459 -18.919 5.188 253 HA GLU 34 HA GLU 34 -5.157 -20.459 4.966 254 1HB GLU 34 1HB GLU 34 -7.960 -21.202 4.121 255 2HB GLU 34 2HB GLU 34 -6.652 -22.329 4.448 256 1HG GLU 34 1HG GLU 34 -6.608 -21.663 6.768 257 2HG GLU 34 2HG GLU 34 -7.840 -20.438 6.464 258 H ASP 35 H ASP 35 -7.375 -19.397 2.394 259 HA ASP 35 HA ASP 35 -5.947 -20.823 0.357 260 1HB ASP 35 1HB ASP 35 -8.055 -18.665 0.161 261 2HB ASP 35 2HB ASP 35 -7.412 -19.557 -1.214 262 H TRP 36 H TRP 36 -5.029 -19.731 -1.559 263 HA TRP 36 HA TRP 36 -3.338 -17.486 -0.704 264 1HB TRP 36 1HB TRP 36 -2.914 -19.295 -3.087 265 2HB TRP 36 2HB TRP 36 -1.749 -18.198 -2.353 266 HD1 TRP 36 HD1 TRP 36 -3.219 -21.676 -1.999 267 HE1 TRP 36 HE1 TRP 36 -1.914 -22.963 -0.189 268 HE3 TRP 36 HE3 TRP 36 -0.410 -17.836 -0.123 269 HZ2 TRP 36 HZ2 TRP 36 0.036 -22.428 1.766 270 HZ3 TRP 36 HZ3 TRP 36 1.151 -18.313 1.719 271 HH2 TRP 36 HH2 TRP 36 1.365 -20.564 2.641 272 H ARG 37 H ARG 37 -5.674 -18.499 -3.079 273 HA ARG 37 HA ARG 37 -5.288 -16.492 -4.996 274 1HB ARG 37 1HB ARG 37 -6.588 -18.556 -5.364 275 2HB ARG 37 2HB ARG 37 -7.820 -17.967 -4.258 276 1HG ARG 37 1HG ARG 37 -8.554 -17.615 -6.498 277 2HG ARG 37 2HG ARG 37 -8.196 -16.051 -5.765 278 1HD ARG 37 1HD ARG 37 -6.063 -15.968 -6.907 279 2HD ARG 37 2HD ARG 37 -6.327 -17.580 -7.571 280 HE ARG 37 HE ARG 37 -8.301 -15.552 -8.240 281 1HH1 ARG 37 1HH1 ARG 37 -5.472 -17.353 -9.196 282 2HH1 ARG 37 2HH1 ARG 37 -5.675 -17.021 -10.883 283 1HH2 ARG 37 1HH2 ARG 37 -8.575 -15.113 -10.458 284 2HH2 ARG 37 2HH2 ARG 37 -7.438 -15.747 -11.601 285 H ILE 38 H ILE 38 -7.067 -16.548 -1.972 286 HA ILE 38 HA ILE 38 -8.400 -14.037 -2.474 287 HB ILE 38 HB ILE 38 -8.148 -15.603 0.099 288 1HG1 ILE 38 1HG1 ILE 38 -10.457 -15.453 -1.850 289 2HG1 ILE 38 2HG1 ILE 38 -9.324 -16.796 -1.752 290 1HG2 ILE 38 1HG2 ILE 38 -8.629 -13.227 0.464 291 2HG2 ILE 38 2HG2 ILE 38 -10.003 -14.245 0.898 292 3HG2 ILE 38 3HG2 ILE 38 -10.017 -13.347 -0.619 293 1HD1 ILE 38 1HD1 ILE 38 -10.051 -17.251 0.525 294 2HD1 ILE 38 2HD1 ILE 38 -11.407 -17.294 -0.603 295 3HD1 ILE 38 3HD1 ILE 38 -11.173 -15.893 0.443 296 H ARG 39 H ARG 39 -5.664 -15.174 -0.537 297 HA ARG 39 HA ARG 39 -5.110 -12.759 0.785 298 1HB ARG 39 1HB ARG 39 -4.136 -14.888 1.489 299 2HB ARG 39 2HB ARG 39 -3.225 -14.986 -0.012 300 1HG ARG 39 1HG ARG 39 -2.064 -12.875 0.649 301 2HG ARG 39 2HG ARG 39 -2.868 -12.995 2.214 302 1HD ARG 39 1HD ARG 39 -0.992 -15.025 1.009 303 2HD ARG 39 2HD ARG 39 -0.618 -13.913 2.325 304 HE ARG 39 HE ARG 39 -2.865 -15.474 3.004 305 1HH1 ARG 39 1HH1 ARG 39 0.588 -15.723 2.591 306 2HH1 ARG 39 2HH1 ARG 39 0.757 -17.025 3.720 307 1HH2 ARG 39 1HH2 ARG 39 -2.649 -17.190 4.491 308 2HH2 ARG 39 2HH2 ARG 39 -1.081 -17.860 4.798 309 H GLY 40 H GLY 40 -4.361 -13.888 -2.427 310 1HA GLY 40 1HA GLY 40 -2.256 -12.200 -3.112 311 2HA GLY 40 2HA GLY 40 -3.455 -12.814 -4.242 312 H ALA 41 H ALA 41 -5.679 -11.631 -3.933 313 HA ALA 41 HA ALA 41 -5.445 -9.060 -4.868 314 1HB ALA 41 1HB ALA 41 -7.826 -8.784 -4.307 315 2HB ALA 41 2HB ALA 41 -7.751 -10.258 -3.340 316 3HB ALA 41 3HB ALA 41 -7.490 -10.331 -5.083 317 H ALA 42 H ALA 42 -5.426 -10.155 -1.548 318 HA ALA 42 HA ALA 42 -5.977 -7.681 -0.303 319 1HB ALA 42 1HB ALA 42 -4.444 -10.082 0.682 320 2HB ALA 42 2HB ALA 42 -6.138 -9.694 0.982 321 3HB ALA 42 3HB ALA 42 -4.866 -8.697 1.688 322 H ALA 43 H ALA 43 -2.888 -9.305 -0.993 323 HA ALA 43 HA ALA 43 -1.231 -7.173 -0.126 324 1HB ALA 43 1HB ALA 43 -0.420 -9.463 -0.324 325 2HB ALA 43 2HB ALA 43 0.551 -8.369 -1.310 326 3HB ALA 43 3HB ALA 43 -0.653 -9.408 -2.071 327 H TRP 44 H TRP 44 -2.813 -7.954 -3.135 328 HA TRP 44 HA TRP 44 -1.330 -6.213 -4.813 329 1HB TRP 44 1HB TRP 44 -3.871 -7.761 -5.065 330 2HB TRP 44 2HB TRP 44 -3.505 -6.526 -6.263 331 HD1 TRP 44 HD1 TRP 44 -1.606 -9.532 -4.689 332 HE1 TRP 44 HE1 TRP 44 -0.268 -10.682 -6.561 333 HE3 TRP 44 HE3 TRP 44 -2.845 -6.456 -8.579 334 HZ2 TRP 44 HZ2 TRP 44 0.199 -10.335 -9.321 335 HZ3 TRP 44 HZ3 TRP 44 -1.910 -6.936 -10.804 336 HH2 TRP 44 HH2 TRP 44 -0.419 -8.834 -11.163 337 H ILE 45 H ILE 45 -4.095 -5.745 -2.728 338 HA ILE 45 HA ILE 45 -4.622 -3.116 -3.916 339 HB ILE 45 HB ILE 45 -6.176 -4.643 -1.823 340 1HG1 ILE 45 1HG1 ILE 45 -6.903 -4.062 -4.700 341 2HG1 ILE 45 2HG1 ILE 45 -6.186 -5.577 -4.162 342 1HG2 ILE 45 1HG2 ILE 45 -7.910 -2.945 -2.139 343 2HG2 ILE 45 2HG2 ILE 45 -6.852 -2.068 -3.244 344 3HG2 ILE 45 3HG2 ILE 45 -6.411 -2.230 -1.544 345 1HD1 ILE 45 1HD1 ILE 45 -8.794 -4.480 -3.142 346 2HD1 ILE 45 2HD1 ILE 45 -8.101 -6.068 -2.812 347 3HD1 ILE 45 3HD1 ILE 45 -8.642 -5.663 -4.440 348 H ILE 46 H ILE 46 -3.334 -4.629 -1.070 349 HA ILE 46 HA ILE 46 -3.567 -2.516 0.744 350 HB ILE 46 HB ILE 46 -2.709 -5.028 0.990 351 1HG1 ILE 46 1HG1 ILE 46 -1.571 -3.027 2.904 352 2HG1 ILE 46 2HG1 ILE 46 -3.318 -3.131 2.686 353 1HG2 ILE 46 1HG2 ILE 46 -0.374 -5.216 1.385 354 2HG2 ILE 46 2HG2 ILE 46 -0.138 -3.479 1.193 355 3HG2 ILE 46 3HG2 ILE 46 -0.570 -4.469 -0.201 356 1HD1 ILE 46 1HD1 ILE 46 -1.593 -5.480 3.406 357 2HD1 ILE 46 2HD1 ILE 46 -3.353 -5.384 3.430 358 3HD1 ILE 46 3HD1 ILE 46 -2.403 -4.454 4.588 359 H GLY 47 H GLY 47 -1.282 -3.049 -1.851 360 1HA GLY 47 1HA GLY 47 0.733 -1.268 -1.001 361 2HA GLY 47 2HA GLY 47 0.442 -1.761 -2.662 362 H ASN 48 H ASN 48 -2.401 -0.656 -2.304 363 HA ASN 48 HA ASN 48 -1.897 1.871 -3.465 364 1HB ASN 48 1HB ASN 48 -4.490 0.995 -2.190 365 2HB ASN 48 2HB ASN 48 -4.272 2.177 -3.476 366 1HD2 ASN 48 1HD2 ASN 48 -2.262 0.500 -4.823 367 2HD2 ASN 48 2HD2 ASN 48 -3.153 -0.758 -5.602 368 H PHE 49 H PHE 49 -2.231 0.798 -0.207 369 HA PHE 49 HA PHE 49 -2.612 3.513 0.796 370 1HB PHE 49 1HB PHE 49 -2.514 0.858 2.246 371 2HB PHE 49 2HB PHE 49 -2.804 2.413 3.016 372 HD1 PHE 49 HD1 PHE 49 -4.152 0.325 0.231 373 HD2 PHE 49 HD2 PHE 49 -4.985 3.027 3.413 374 HE1 PHE 49 HE1 PHE 49 -6.563 0.073 -0.189 375 HE2 PHE 49 HE2 PHE 49 -7.395 2.783 2.995 376 HZ PHE 49 HZ PHE 49 -8.186 1.304 1.194 377 H GLN 50 H GLN 50 -0.817 4.678 0.900 378 HA GLN 50 HA GLN 50 1.798 3.577 1.158 379 1HB GLN 50 1HB GLN 50 1.089 6.451 1.693 380 2HB GLN 50 2HB GLN 50 2.588 5.796 1.047 381 1HG GLN 50 1HG GLN 50 1.138 5.008 -0.918 382 2HG GLN 50 2HG GLN 50 -0.043 6.158 -0.307 383 1HE2 GLN 50 1HE2 GLN 50 0.105 7.441 -2.148 384 2HE2 GLN 50 2HE2 GLN 50 1.476 8.446 -2.459 385 H ASP 51 H ASP 51 -0.334 3.274 3.354 386 HA ASP 51 HA ASP 51 0.929 4.498 5.648 387 1HB ASP 51 1HB ASP 51 -1.526 4.249 5.521 388 2HB ASP 51 2HB ASP 51 -1.339 2.498 5.505 389 H GLU 52 H GLU 52 1.580 3.177 7.536 390 HA GLU 52 HA GLU 52 3.528 1.272 6.793 391 1HB GLU 52 1HB GLU 52 3.970 1.028 9.153 392 2HB GLU 52 2HB GLU 52 3.711 2.727 8.782 393 1HG GLU 52 1HG GLU 52 1.432 2.569 9.642 394 2HG GLU 52 2HG GLU 52 1.692 0.865 10.014 395 H ARG 53 H ARG 53 0.208 0.962 7.812 396 HA ARG 53 HA ARG 53 0.263 -1.743 8.605 397 1HB ARG 53 1HB ARG 53 -1.614 -0.143 9.047 398 2HB ARG 53 2HB ARG 53 -2.053 -0.261 7.351 399 1HG ARG 53 1HG ARG 53 -2.654 -2.536 7.563 400 2HG ARG 53 2HG ARG 53 -1.932 -2.645 9.172 401 1HD ARG 53 1HD ARG 53 -4.367 -1.056 8.372 402 2HD ARG 53 2HD ARG 53 -4.332 -2.506 9.374 403 HE ARG 53 HE ARG 53 -3.053 0.013 10.215 404 1HH1 ARG 53 1HH1 ARG 53 -5.112 -2.730 10.836 405 2HH1 ARG 53 2HH1 ARG 53 -5.389 -2.308 12.493 406 1HH2 ARG 53 1HH2 ARG 53 -3.414 0.573 12.395 407 2HH2 ARG 53 2HH2 ARG 53 -4.426 -0.432 13.378 408 H ALA 54 H ALA 54 0.690 -0.307 5.591 409 HA ALA 54 HA ALA 54 -0.118 -2.736 4.143 410 1HB ALA 54 1HB ALA 54 -0.105 -1.392 2.138 411 2HB ALA 54 2HB ALA 54 0.546 -0.015 3.027 412 3HB ALA 54 3HB ALA 54 -1.084 -0.594 3.369 413 H VAL 55 H VAL 55 2.521 -1.152 5.429 414 HA VAL 55 HA VAL 55 4.456 -1.906 3.432 415 HB VAL 55 HB VAL 55 4.853 -0.831 6.227 416 1HG1 VAL 55 1HG1 VAL 55 6.786 -1.155 3.940 417 2HG1 VAL 55 2HG1 VAL 55 6.823 -2.004 5.486 418 3HG1 VAL 55 3HG1 VAL 55 7.117 -0.267 5.426 419 1HG2 VAL 55 1HG2 VAL 55 4.808 0.537 3.540 420 2HG2 VAL 55 2HG2 VAL 55 5.345 1.295 5.039 421 3HG2 VAL 55 3HG2 VAL 55 3.672 0.764 4.869 422 H GLU 56 H GLU 56 3.351 -3.127 6.556 423 HA GLU 56 HA GLU 56 5.424 -4.963 7.011 424 1HB GLU 56 1HB GLU 56 3.714 -4.304 8.701 425 2HB GLU 56 2HB GLU 56 2.538 -5.287 7.840 426 1HG GLU 56 1HG GLU 56 3.193 -6.767 9.437 427 2HG GLU 56 2HG GLU 56 4.350 -7.160 8.163 428 HA PRO 57 HA PRO 57 2.287 -8.185 4.759 429 1HB PRO 57 1HB PRO 57 1.676 -6.160 2.649 430 2HB PRO 57 2HB PRO 57 0.698 -7.517 3.221 431 1HG PRO 57 1HG PRO 57 0.161 -5.029 4.001 432 2HG PRO 57 2HG PRO 57 0.007 -6.393 5.122 433 1HD PRO 57 1HD PRO 57 2.072 -4.267 5.001 434 2HD PRO 57 2HD PRO 57 1.478 -5.190 6.394 435 H LEU 58 H LEU 58 3.785 -5.605 2.834 436 HA LEU 58 HA LEU 58 4.875 -7.175 0.840 437 1HB LEU 58 1HB LEU 58 6.333 -4.764 1.843 438 2HB LEU 58 2HB LEU 58 6.107 -5.311 0.193 439 HG LEU 58 HG LEU 58 4.081 -3.954 1.960 440 1HD1 LEU 58 1HD1 LEU 58 5.167 -3.159 -0.726 441 2HD1 LEU 58 2HD1 LEU 58 5.776 -2.550 0.813 442 3HD1 LEU 58 3HD1 LEU 58 4.114 -2.217 0.327 443 1HD2 LEU 58 1HD2 LEU 58 2.510 -4.159 0.093 444 2HD2 LEU 58 2HD2 LEU 58 2.959 -5.735 0.746 445 3HD2 LEU 58 3HD2 LEU 58 3.671 -5.171 -0.765 446 H ILE 59 H ILE 59 6.147 -6.478 4.048 447 HA ILE 59 HA ILE 59 8.770 -7.373 3.651 448 HB ILE 59 HB ILE 59 7.119 -7.510 6.172 449 1HG1 ILE 59 1HG1 ILE 59 7.307 -5.235 5.230 450 2HG1 ILE 59 2HG1 ILE 59 8.173 -5.386 6.755 451 1HG2 ILE 59 1HG2 ILE 59 9.039 -8.967 6.334 452 2HG2 ILE 59 2HG2 ILE 59 9.287 -7.539 7.338 453 3HG2 ILE 59 3HG2 ILE 59 10.102 -7.672 5.781 454 1HD1 ILE 59 1HD1 ILE 59 9.484 -4.092 5.234 455 2HD1 ILE 59 2HD1 ILE 59 9.363 -5.340 3.993 456 3HD1 ILE 59 3HD1 ILE 59 10.275 -5.650 5.470 457 H LYS 60 H LYS 60 6.092 -9.163 5.183 458 HA LYS 60 HA LYS 60 7.481 -11.649 5.121 459 1HB LYS 60 1HB LYS 60 4.687 -10.817 5.798 460 2HB LYS 60 2HB LYS 60 5.074 -12.522 5.629 461 1HG LYS 60 1HG LYS 60 5.218 -11.942 7.936 462 2HG LYS 60 2HG LYS 60 6.854 -12.226 7.339 463 1HD LYS 60 1HD LYS 60 7.201 -9.818 7.129 464 2HD LYS 60 2HD LYS 60 5.556 -9.525 7.694 465 1HE LYS 60 1HE LYS 60 7.154 -9.207 9.500 466 2HE LYS 60 2HE LYS 60 6.106 -10.585 9.832 467 1HZ LYS 60 1HZ LYS 60 8.428 -11.056 10.348 468 2HZ LYS 60 2HZ LYS 60 8.864 -10.755 8.741 469 3HZ LYS 60 3HZ LYS 60 7.861 -12.064 9.114 470 H LEU 61 H LEU 61 5.883 -9.945 2.711 471 HA LEU 61 HA LEU 61 4.900 -12.278 1.287 472 1HB LEU 61 1HB LEU 61 4.668 -9.345 1.024 473 2HB LEU 61 2HB LEU 61 4.596 -10.263 -0.466 474 HG LEU 61 HG LEU 61 2.600 -11.295 0.101 475 1HD1 LEU 61 1HD1 LEU 61 3.269 -12.116 2.314 476 2HD1 LEU 61 2HD1 LEU 61 1.654 -11.412 2.339 477 3HD1 LEU 61 3HD1 LEU 61 3.020 -10.504 2.983 478 1HD2 LEU 61 1HD2 LEU 61 2.549 -8.553 1.341 479 2HD2 LEU 61 2HD2 LEU 61 1.115 -9.499 0.945 480 3HD2 LEU 61 3HD2 LEU 61 2.206 -8.973 -0.337 481 H LEU 62 H LEU 62 7.353 -9.756 0.769 482 HA LEU 62 HA LEU 62 8.274 -10.679 -1.708 483 1HB LEU 62 1HB LEU 62 9.763 -9.176 0.446 484 2HB LEU 62 2HB LEU 62 10.297 -9.352 -1.216 485 HG LEU 62 HG LEU 62 7.656 -8.080 -0.550 486 1HD1 LEU 62 1HD1 LEU 62 9.483 -6.909 0.665 487 2HD1 LEU 62 2HD1 LEU 62 8.690 -5.919 -0.560 488 3HD1 LEU 62 3HD1 LEU 62 10.272 -6.625 -0.885 489 1HD2 LEU 62 1HD2 LEU 62 7.984 -8.765 -2.854 490 2HD2 LEU 62 2HD2 LEU 62 9.516 -7.895 -2.918 491 3HD2 LEU 62 3HD2 LEU 62 8.005 -7.006 -2.732 492 H GLU 63 H GLU 63 8.518 -12.061 1.340 493 HA GLU 63 HA GLU 63 10.796 -13.726 0.512 494 1HB GLU 63 1HB GLU 63 9.891 -12.701 3.162 495 2HB GLU 63 2HB GLU 63 10.687 -14.265 3.104 496 1HG GLU 63 1HG GLU 63 12.263 -12.482 3.590 497 2HG GLU 63 2HG GLU 63 12.630 -13.259 2.050 498 H ASP 64 H ASP 64 7.464 -13.675 0.999 499 HA ASP 64 HA ASP 64 6.951 -16.232 2.010 500 1HB ASP 64 1HB ASP 64 5.288 -14.348 1.737 501 2HB ASP 64 2HB ASP 64 5.209 -14.776 0.031 502 H ASP 65 H ASP 65 7.288 -15.097 -1.268 503 HA ASP 65 HA ASP 65 7.841 -16.124 -3.223 504 1HB ASP 65 1HB ASP 65 8.581 -18.416 -1.392 505 2HB ASP 65 2HB ASP 65 8.903 -18.386 -3.122 506 H SER 66 H SER 66 5.174 -16.379 -1.866 507 HA SER 66 HA SER 66 4.152 -18.900 -2.863 508 1HB SER 66 1HB SER 66 2.902 -16.592 -1.388 509 2HB SER 66 2HB SER 66 1.958 -17.946 -1.993 510 HG SER 66 HG SER 66 4.138 -18.105 -0.185 511 H GLY 67 H GLY 67 5.138 -16.519 -4.592 512 1HA GLY 67 1HA GLY 67 4.641 -15.833 -6.734 513 2HA GLY 67 2HA GLY 67 3.288 -16.953 -6.718 514 H PHE 68 H PHE 68 1.249 -16.192 -6.379 515 HA PHE 68 HA PHE 68 0.540 -13.618 -6.986 516 1HB PHE 68 1HB PHE 68 -0.861 -15.835 -6.526 517 2HB PHE 68 2HB PHE 68 -1.137 -15.053 -4.978 518 HD1 PHE 68 HD1 PHE 68 -1.144 -12.154 -6.264 519 HD2 PHE 68 HD2 PHE 68 -3.154 -15.817 -7.132 520 HE1 PHE 68 HE1 PHE 68 -3.012 -10.903 -7.253 521 HE2 PHE 68 HE2 PHE 68 -5.017 -14.561 -8.122 522 HZ PHE 68 HZ PHE 68 -4.948 -12.102 -8.186 523 H VAL 69 H VAL 69 1.198 -14.970 -3.794 524 HA VAL 69 HA VAL 69 0.500 -12.629 -2.335 525 HB VAL 69 HB VAL 69 2.351 -14.826 -1.427 526 1HG1 VAL 69 1HG1 VAL 69 0.683 -12.775 -0.010 527 2HG1 VAL 69 2HG1 VAL 69 2.415 -13.082 0.133 528 3HG1 VAL 69 3HG1 VAL 69 1.258 -14.235 0.795 529 1HG2 VAL 69 1HG2 VAL 69 -0.661 -14.745 -1.316 530 2HG2 VAL 69 2HG2 VAL 69 0.361 -15.958 -0.546 531 3HG2 VAL 69 3HG2 VAL 69 0.317 -15.830 -2.305 532 H ARG 70 H ARG 70 3.646 -14.052 -3.239 533 HA ARG 70 HA ARG 70 5.237 -12.020 -2.128 534 1HB ARG 70 1HB ARG 70 6.109 -14.230 -2.780 535 2HB ARG 70 2HB ARG 70 5.862 -13.823 -4.473 536 1HG ARG 70 1HG ARG 70 7.436 -11.884 -4.108 537 2HG ARG 70 2HG ARG 70 7.817 -12.605 -2.544 538 1HD ARG 70 1HD ARG 70 9.434 -13.241 -4.282 539 2HD ARG 70 2HD ARG 70 8.573 -14.633 -3.629 540 HE ARG 70 HE ARG 70 7.264 -13.653 -5.936 541 1HH1 ARG 70 1HH1 ARG 70 10.084 -15.444 -4.940 542 2HH1 ARG 70 2HH1 ARG 70 10.206 -16.325 -6.427 543 1HH2 ARG 70 1HH2 ARG 70 7.417 -14.809 -7.892 544 2HH2 ARG 70 2HH2 ARG 70 8.691 -15.964 -8.104 545 H SER 71 H SER 71 4.494 -12.571 -5.572 546 HA SER 71 HA SER 71 5.548 -10.224 -6.579 547 1HB SER 71 1HB SER 71 4.086 -10.572 -8.525 548 2HB SER 71 2HB SER 71 4.808 -12.092 -7.997 549 HG SER 71 HG SER 71 2.633 -12.028 -6.671 550 H GLY 72 H GLY 72 2.431 -10.797 -5.063 551 1HA GLY 72 1HA GLY 72 1.105 -8.452 -5.798 552 2HA GLY 72 2HA GLY 72 0.827 -9.338 -4.305 553 H ALA 73 H ALA 73 3.663 -8.970 -3.525 554 HA ALA 73 HA ALA 73 3.343 -6.368 -2.281 555 1HB ALA 73 1HB ALA 73 4.024 -8.138 -0.836 556 2HB ALA 73 2HB ALA 73 5.397 -7.048 -1.025 557 3HB ALA 73 3HB ALA 73 5.356 -8.575 -1.905 558 H ALA 74 H ALA 74 5.531 -8.014 -4.507 559 HA ALA 74 HA ALA 74 7.552 -6.144 -4.717 560 1HB ALA 74 1HB ALA 74 7.567 -8.382 -5.768 561 2HB ALA 74 2HB ALA 74 8.050 -7.098 -6.877 562 3HB ALA 74 3HB ALA 74 6.431 -7.792 -6.981 563 H ARG 75 H ARG 75 4.357 -6.143 -6.177 564 HA ARG 75 HA ARG 75 4.901 -3.859 -7.849 565 1HB ARG 75 1HB ARG 75 2.545 -3.988 -8.455 566 2HB ARG 75 2HB ARG 75 3.283 -5.581 -8.538 567 1HG ARG 75 1HG ARG 75 2.273 -6.214 -6.449 568 2HG ARG 75 2HG ARG 75 1.642 -4.583 -6.218 569 1HD ARG 75 1HD ARG 75 0.796 -6.678 -8.195 570 2HD ARG 75 2HD ARG 75 -0.182 -5.800 -7.019 571 HE ARG 75 HE ARG 75 -0.108 -3.887 -8.431 572 1HH1 ARG 75 1HH1 ARG 75 1.302 -6.746 -9.838 573 2HH1 ARG 75 2HH1 ARG 75 1.179 -6.163 -11.464 574 1HH2 ARG 75 1HH2 ARG 75 -0.274 -3.111 -10.569 575 2HH2 ARG 75 2HH2 ARG 75 0.283 -4.096 -11.879 576 H SER 76 H SER 76 3.770 -4.427 -4.638 577 HA SER 76 HA SER 76 2.347 -2.015 -4.239 578 1HB SER 76 1HB SER 76 3.719 -3.853 -2.274 579 2HB SER 76 2HB SER 76 2.683 -2.504 -1.809 580 HG SER 76 HG SER 76 1.937 -4.943 -2.398 581 H LEU 77 H LEU 77 5.748 -2.898 -3.772 582 HA LEU 77 HA LEU 77 6.642 -0.636 -2.448 583 1HB LEU 77 1HB LEU 77 7.931 -2.478 -4.436 584 2HB LEU 77 2HB LEU 77 8.807 -1.096 -3.812 585 HG LEU 77 HG LEU 77 9.355 -3.175 -2.631 586 1HD1 LEU 77 1HD1 LEU 77 9.511 -0.990 -1.500 587 2HD1 LEU 77 2HD1 LEU 77 9.177 -2.317 -0.388 588 3HD1 LEU 77 3HD1 LEU 77 7.879 -1.227 -0.875 589 1HD2 LEU 77 1HD2 LEU 77 6.444 -3.149 -1.885 590 2HD2 LEU 77 2HD2 LEU 77 7.665 -4.118 -1.061 591 3HD2 LEU 77 3HD2 LEU 77 7.320 -4.400 -2.768 592 H GLU 78 H GLU 78 6.687 -1.200 -5.969 593 HA GLU 78 HA GLU 78 7.451 1.418 -6.660 594 1HB GLU 78 1HB GLU 78 5.945 -0.625 -8.301 595 2HB GLU 78 2HB GLU 78 6.720 0.819 -8.939 596 1HG GLU 78 1HG GLU 78 8.892 -0.031 -8.156 597 2HG GLU 78 2HG GLU 78 8.092 -1.501 -7.599 598 H GLN 79 H GLN 79 4.300 -0.052 -6.142 599 HA GLN 79 HA GLN 79 2.673 1.880 -7.310 600 1HB GLN 79 1HB GLN 79 2.342 -0.321 -5.468 601 2HB GLN 79 2HB GLN 79 1.317 1.032 -5.009 602 1HG GLN 79 1HG GLN 79 0.228 1.037 -7.112 603 2HG GLN 79 2HG GLN 79 1.404 -0.082 -7.796 604 1HE2 GLN 79 1HE2 GLN 79 1.471 -1.785 -5.462 605 2HE2 GLN 79 2HE2 GLN 79 -0.011 -2.670 -5.452 606 H ILE 80 H ILE 80 4.007 1.762 -4.022 607 HA ILE 80 HA ILE 80 2.786 4.255 -3.275 608 HB ILE 80 HB ILE 80 4.951 2.651 -1.905 609 1HG1 ILE 80 1HG1 ILE 80 2.014 2.919 -1.230 610 2HG1 ILE 80 2HG1 ILE 80 2.696 1.570 -2.130 611 1HG2 ILE 80 1HG2 ILE 80 5.036 5.021 -1.288 612 2HG2 ILE 80 2HG2 ILE 80 4.498 4.020 0.059 613 3HG2 ILE 80 3HG2 ILE 80 3.328 4.968 -0.858 614 1HD1 ILE 80 1HD1 ILE 80 3.656 2.303 0.613 615 2HD1 ILE 80 2HD1 ILE 80 3.885 0.792 -0.268 616 3HD1 ILE 80 3HD1 ILE 80 2.289 1.224 0.343 617 H GLY 81 H GLY 81 6.194 3.248 -3.643 618 1HA GLY 81 1HA GLY 81 8.033 4.402 -4.386 619 2HA GLY 81 2HA GLY 81 6.922 5.497 -5.195 620 H GLY 82 H GLY 82 8.952 4.984 -2.461 621 1HA GLY 82 1HA GLY 82 9.338 7.654 -1.874 622 2HA GLY 82 2HA GLY 82 7.996 7.143 -0.861 623 H GLU 83 H GLU 83 9.864 7.944 0.647 624 HA GLU 83 HA GLU 83 12.019 6.166 1.137 625 1HB GLU 83 1HB GLU 83 10.759 8.324 2.829 626 2HB GLU 83 2HB GLU 83 12.175 7.410 3.333 627 1HG GLU 83 1HG GLU 83 12.952 9.450 2.435 628 2HG GLU 83 2HG GLU 83 13.314 8.198 1.248 629 H ARG 84 H ARG 84 8.718 6.342 2.282 630 HA ARG 84 HA ARG 84 8.949 4.690 4.526 631 1HB ARG 84 1HB ARG 84 6.563 4.382 4.409 632 2HB ARG 84 2HB ARG 84 6.931 6.042 3.975 633 1HG ARG 84 1HG ARG 84 6.390 3.870 1.960 634 2HG ARG 84 2HG ARG 84 5.153 4.955 2.597 635 1HD ARG 84 1HD ARG 84 7.634 5.791 1.097 636 2HD ARG 84 2HD ARG 84 6.004 5.716 0.433 637 HE ARG 84 HE ARG 84 6.377 7.416 2.759 638 1HH1 ARG 84 1HH1 ARG 84 6.128 7.168 -0.708 639 2HH1 ARG 84 2HH1 ARG 84 5.754 8.844 -0.930 640 1HH2 ARG 84 1HH2 ARG 84 5.883 9.624 2.475 641 2HH2 ARG 84 2HH2 ARG 84 5.614 10.240 0.878 642 H VAL 85 H VAL 85 8.057 3.830 1.197 643 HA VAL 85 HA VAL 85 8.065 1.026 1.692 644 HB VAL 85 HB VAL 85 8.479 1.265 -1.027 645 1HG1 VAL 85 1HG1 VAL 85 6.102 0.833 -1.218 646 2HG1 VAL 85 2HG1 VAL 85 5.846 1.382 0.437 647 3HG1 VAL 85 3HG1 VAL 85 6.779 -0.081 0.129 648 1HG2 VAL 85 1HG2 VAL 85 8.422 3.715 -0.853 649 2HG2 VAL 85 2HG2 VAL 85 6.818 3.618 -0.126 650 3HG2 VAL 85 3HG2 VAL 85 7.065 3.090 -1.791 651 H ARG 86 H ARG 86 10.513 3.338 0.941 652 HA ARG 86 HA ARG 86 12.413 1.720 -0.323 653 1HB ARG 86 1HB ARG 86 12.635 4.143 -0.228 654 2HB ARG 86 2HB ARG 86 12.839 4.081 1.518 655 1HG ARG 86 1HG ARG 86 14.955 3.043 1.330 656 2HG ARG 86 2HG ARG 86 14.719 2.715 -0.388 657 1HD ARG 86 1HD ARG 86 14.757 5.109 -0.857 658 2HD ARG 86 2HD ARG 86 14.960 5.452 0.860 659 HE ARG 86 HE ARG 86 17.124 4.231 0.668 660 1HH1 ARG 86 1HH1 ARG 86 15.655 5.667 -2.149 661 2HH1 ARG 86 2HH1 ARG 86 17.155 5.853 -2.993 662 1HH2 ARG 86 1HH2 ARG 86 19.102 4.472 -0.438 663 2HH2 ARG 86 2HH2 ARG 86 19.113 5.174 -2.023 664 H ALA 87 H ALA 87 11.700 2.169 3.097 665 HA ALA 87 HA ALA 87 13.957 0.678 4.018 666 1HB ALA 87 1HB ALA 87 11.420 1.428 5.468 667 2HB ALA 87 2HB ALA 87 12.896 2.391 5.406 668 3HB ALA 87 3HB ALA 87 12.900 0.822 6.211 669 H ALA 88 H ALA 88 10.810 -0.096 2.867 670 HA ALA 88 HA ALA 88 10.527 -2.618 4.171 671 1HB ALA 88 1HB ALA 88 8.716 -3.002 2.557 672 2HB ALA 88 2HB ALA 88 9.196 -1.548 1.681 673 3HB ALA 88 3HB ALA 88 8.581 -1.422 3.329 674 H MET 89 H MET 89 11.566 -1.566 0.953 675 HA MET 89 HA MET 89 12.176 -4.201 0.066 676 1HB MET 89 1HB MET 89 13.060 -3.176 -1.899 677 2HB MET 89 2HB MET 89 11.608 -2.308 -1.454 678 1HG MET 89 1HG MET 89 13.124 -0.673 -2.104 679 2HG MET 89 2HG MET 89 13.139 -0.620 -0.343 680 1HE MET 89 1HE MET 89 16.814 0.311 -1.319 681 2HE MET 89 2HE MET 89 15.443 0.743 -0.297 682 3HE MET 89 3HE MET 89 15.286 0.801 -2.052 683 H GLU 90 H GLU 90 13.974 -1.646 1.663 684 HA GLU 90 HA GLU 90 16.569 -2.606 1.230 685 1HB GLU 90 1HB GLU 90 15.317 -0.945 3.390 686 2HB GLU 90 2HB GLU 90 16.971 -1.510 3.579 687 1HG GLU 90 1HG GLU 90 17.474 -0.458 1.356 688 2HG GLU 90 2HG GLU 90 15.873 0.273 1.426 689 H LYS 91 H LYS 91 14.159 -3.389 3.686 690 HA LYS 91 HA LYS 91 15.771 -5.158 5.185 691 1HB LYS 91 1HB LYS 91 13.584 -4.169 5.926 692 2HB LYS 91 2HB LYS 91 12.774 -5.273 4.825 693 1HG LYS 91 1HG LYS 91 14.640 -6.499 6.746 694 2HG LYS 91 2HG LYS 91 13.173 -5.789 7.421 695 1HD LYS 91 1HD LYS 91 11.822 -7.124 5.872 696 2HD LYS 91 2HD LYS 91 13.294 -7.840 5.211 697 1HE LYS 91 1HE LYS 91 12.467 -8.023 8.101 698 2HE LYS 91 2HE LYS 91 12.119 -9.259 6.893 699 1HZ LYS 91 1HZ LYS 91 14.106 -9.778 8.182 700 2HZ LYS 91 2HZ LYS 91 14.833 -8.338 7.673 701 3HZ LYS 91 3HZ LYS 91 14.484 -9.552 6.549 702 H LEU 92 H LEU 92 14.155 -5.431 2.155 703 HA LEU 92 HA LEU 92 14.261 -8.327 2.120 704 1HB LEU 92 1HB LEU 92 12.463 -7.857 0.857 705 2HB LEU 92 2HB LEU 92 12.981 -6.210 0.571 706 HG LEU 92 HG LEU 92 14.572 -7.169 -1.170 707 1HD1 LEU 92 1HD1 LEU 92 14.384 -9.515 -0.370 708 2HD1 LEU 92 2HD1 LEU 92 14.054 -9.325 -2.089 709 3HD1 LEU 92 3HD1 LEU 92 12.722 -9.538 -0.955 710 1HD2 LEU 92 1HD2 LEU 92 12.895 -7.105 -2.865 711 2HD2 LEU 92 2HD2 LEU 92 12.432 -5.955 -1.611 712 3HD2 LEU 92 3HD2 LEU 92 11.632 -7.524 -1.710 713 H ALA 93 H ALA 93 16.089 -5.583 1.038 714 HA ALA 93 HA ALA 93 17.632 -6.811 -0.968 715 1HB ALA 93 1HB ALA 93 17.461 -4.366 -0.624 716 2HB ALA 93 2HB ALA 93 19.127 -4.932 -0.750 717 3HB ALA 93 3HB ALA 93 18.449 -4.530 0.829 718 H GLU 94 H GLU 94 17.900 -6.790 2.525 719 HA GLU 94 HA GLU 94 20.565 -7.892 2.528 720 1HB GLU 94 1HB GLU 94 20.247 -8.096 4.964 721 2HB GLU 94 2HB GLU 94 19.877 -6.479 4.382 722 1HG GLU 94 1HG GLU 94 17.503 -6.958 4.491 723 2HG GLU 94 2HG GLU 94 17.844 -8.609 5.007 724 H THR 95 H THR 95 17.384 -9.077 2.237 725 HA THR 95 HA THR 95 18.363 -11.837 2.594 726 HB THR 95 HB THR 95 16.027 -12.476 3.186 727 HG1 THR 95 HG1 THR 95 15.676 -9.660 3.066 728 1HG2 THR 95 1HG2 THR 95 17.143 -10.365 5.034 729 2HG2 THR 95 2HG2 THR 95 17.757 -12.014 4.922 730 3HG2 THR 95 3HG2 THR 95 16.107 -11.724 5.473 731 H GLY 96 H GLY 96 18.273 -9.993 0.301 732 1HA GLY 96 1HA GLY 96 16.150 -10.641 -1.434 733 2HA GLY 96 2HA GLY 96 17.693 -9.953 -1.903 734 H THR 97 H THR 97 15.735 -12.327 -2.578 735 HA THR 97 HA THR 97 17.899 -14.062 -3.514 736 HB THR 97 HB THR 97 17.162 -15.171 -1.495 737 HG1 THR 97 HG1 THR 97 16.862 -16.227 -3.979 738 1HG2 THR 97 1HG2 THR 97 14.919 -14.112 -1.374 739 2HG2 THR 97 2HG2 THR 97 14.874 -15.857 -1.128 740 3HG2 THR 97 3HG2 THR 97 14.383 -15.173 -2.677 741 H GLY 98 H GLY 98 17.635 -14.716 -5.560 742 1HA GLY 98 1HA GLY 98 16.721 -14.917 -7.654 743 2HA GLY 98 2HA GLY 98 15.253 -15.404 -6.821 744 H PHE 99 H PHE 99 13.596 -14.311 -7.597 745 HA PHE 99 HA PHE 99 13.797 -11.823 -8.922 746 1HB PHE 99 1HB PHE 99 12.010 -13.310 -9.504 747 2HB PHE 99 2HB PHE 99 11.429 -13.357 -7.844 748 HD1 PHE 99 HD1 PHE 99 12.104 -10.843 -10.523 749 HD2 PHE 99 HD2 PHE 99 9.580 -12.111 -7.341 750 HE1 PHE 99 HE1 PHE 99 10.559 -8.991 -11.016 751 HE2 PHE 99 HE2 PHE 99 8.030 -10.262 -7.827 752 HZ PHE 99 HZ PHE 99 8.518 -8.700 -9.667 753 H ALA 100 H ALA 100 12.840 -12.725 -5.646 754 HA ALA 100 HA ALA 100 11.776 -10.366 -4.711 755 1HB ALA 100 1HB ALA 100 13.627 -12.059 -3.059 756 2HB ALA 100 2HB ALA 100 12.005 -12.586 -3.508 757 3HB ALA 100 3HB ALA 100 12.222 -11.132 -2.532 758 H ARG 101 H ARG 101 15.193 -11.240 -4.999 759 HA ARG 101 HA ARG 101 16.250 -8.974 -3.694 760 1HB ARG 101 1HB ARG 101 17.600 -10.950 -4.108 761 2HB ARG 101 2HB ARG 101 17.413 -10.745 -5.843 762 1HG ARG 101 1HG ARG 101 19.561 -9.963 -5.398 763 2HG ARG 101 2HG ARG 101 18.587 -8.498 -5.526 764 1HD ARG 101 1HD ARG 101 18.456 -8.334 -3.116 765 2HD ARG 101 2HD ARG 101 19.329 -9.856 -2.939 766 HE ARG 101 HE ARG 101 20.595 -7.545 -4.245 767 1HH1 ARG 101 1HH1 ARG 101 20.523 -9.956 -1.728 768 2HH1 ARG 101 2HH1 ARG 101 22.117 -9.593 -1.157 769 1HH2 ARG 101 1HH2 ARG 101 22.695 -7.062 -3.499 770 2HH2 ARG 101 2HH2 ARG 101 23.351 -7.948 -2.163 771 H LYS 102 H LYS 102 16.062 -9.675 -7.188 772 HA LYS 102 HA LYS 102 16.934 -7.266 -8.180 773 1HB LYS 102 1HB LYS 102 16.476 -9.260 -9.555 774 2HB LYS 102 2HB LYS 102 14.750 -8.999 -9.347 775 1HG LYS 102 1HG LYS 102 15.369 -8.175 -11.493 776 2HG LYS 102 2HG LYS 102 15.020 -6.787 -10.461 777 1HD LYS 102 1HD LYS 102 16.996 -6.260 -11.668 778 2HD LYS 102 2HD LYS 102 17.497 -6.637 -10.018 779 1HE LYS 102 1HE LYS 102 19.001 -7.682 -11.607 780 2HE LYS 102 2HE LYS 102 18.086 -8.913 -10.736 781 1HZ LYS 102 1HZ LYS 102 16.551 -8.971 -12.673 782 2HZ LYS 102 2HZ LYS 102 18.117 -9.501 -13.022 783 3HZ LYS 102 3HZ LYS 102 17.621 -7.959 -13.506 784 H VAL 103 H VAL 103 13.956 -7.969 -6.613 785 HA VAL 103 HA VAL 103 12.380 -5.860 -7.631 786 HB VAL 103 HB VAL 103 12.247 -7.547 -5.153 787 1HG1 VAL 103 1HG1 VAL 103 10.064 -6.511 -4.632 788 2HG1 VAL 103 2HG1 VAL 103 10.370 -5.291 -5.869 789 3HG1 VAL 103 3HG1 VAL 103 11.408 -5.386 -4.446 790 1HG2 VAL 103 1HG2 VAL 103 10.557 -7.280 -7.631 791 2HG2 VAL 103 2HG2 VAL 103 10.107 -8.260 -6.237 792 3HG2 VAL 103 3HG2 VAL 103 11.562 -8.647 -7.152 793 H ALA 104 H ALA 104 14.006 -6.122 -4.459 794 HA ALA 104 HA ALA 104 13.538 -3.519 -3.589 795 1HB ALA 104 1HB ALA 104 14.251 -5.141 -2.027 796 2HB ALA 104 2HB ALA 104 15.518 -3.919 -2.094 797 3HB ALA 104 3HB ALA 104 15.735 -5.458 -2.925 798 H VAL 105 H VAL 105 16.457 -4.810 -5.117 799 HA VAL 105 HA VAL 105 17.951 -2.449 -5.117 800 HB VAL 105 HB VAL 105 18.964 -4.637 -5.436 801 1HG1 VAL 105 1HG1 VAL 105 18.803 -5.869 -7.483 802 2HG1 VAL 105 2HG1 VAL 105 17.802 -4.613 -8.212 803 3HG1 VAL 105 3HG1 VAL 105 17.174 -5.573 -6.873 804 1HG2 VAL 105 1HG2 VAL 105 20.261 -2.748 -6.137 805 2HG2 VAL 105 2HG2 VAL 105 19.432 -2.695 -7.692 806 3HG2 VAL 105 3HG2 VAL 105 20.497 -4.047 -7.306 807 H ASN 106 H ASN 106 16.027 -3.852 -7.786 808 HA ASN 106 HA ASN 106 16.616 -1.708 -9.560 809 1HB ASN 106 1HB ASN 106 15.956 -3.957 -10.342 810 2HB ASN 106 2HB ASN 106 14.337 -3.686 -9.705 811 1HD2 ASN 106 1HD2 ASN 106 13.367 -3.876 -11.707 812 2HD2 ASN 106 2HD2 ASN 106 13.518 -2.667 -12.931 813 H TYR 107 H TYR 107 14.140 -2.202 -7.153 814 HA TYR 107 HA TYR 107 12.232 -0.395 -8.172 815 1HB TYR 107 1HB TYR 107 11.371 -1.897 -6.635 816 2HB TYR 107 2HB TYR 107 12.729 -1.707 -5.535 817 HD1 TYR 107 HD1 TYR 107 12.207 -0.760 -3.568 818 HD2 TYR 107 HD2 TYR 107 10.141 0.557 -7.029 819 HE1 TYR 107 HE1 TYR 107 10.943 0.840 -2.189 820 HE2 TYR 107 HE2 TYR 107 8.866 2.161 -5.673 821 HH TYR 107 HH TYR 107 9.697 2.884 -2.428 822 H LEU 108 H LEU 108 14.751 -0.036 -5.697 823 HA LEU 108 HA LEU 108 14.187 2.561 -4.918 824 1HB LEU 108 1HB LEU 108 16.589 2.666 -4.258 825 2HB LEU 108 2HB LEU 108 15.704 1.298 -3.631 826 HG LEU 108 HG LEU 108 16.710 0.014 -5.631 827 1HD1 LEU 108 1HD1 LEU 108 18.963 0.900 -6.260 828 2HD1 LEU 108 2HD1 LEU 108 18.501 2.430 -5.517 829 3HD1 LEU 108 3HD1 LEU 108 17.603 1.817 -6.905 830 1HD2 LEU 108 1HD2 LEU 108 17.293 -0.430 -3.322 831 2HD2 LEU 108 2HD2 LEU 108 18.418 0.928 -3.322 832 3HD2 LEU 108 3HD2 LEU 108 18.736 -0.481 -4.335 833 H GLU 109 H GLU 109 15.253 1.546 -7.958 834 HA GLU 109 HA GLU 109 16.877 3.737 -8.702 835 1HB GLU 109 1HB GLU 109 16.819 1.639 -9.975 836 2HB GLU 109 2HB GLU 109 15.150 1.955 -10.431 837 1HG GLU 109 1HG GLU 109 15.857 3.944 -11.652 838 2HG GLU 109 2HG GLU 109 17.529 3.635 -11.189 839 H THR 110 H THR 110 13.430 3.264 -8.544 840 HA THR 110 HA THR 110 13.005 5.953 -9.670 841 HB THR 110 HB THR 110 10.600 5.190 -9.941 842 HG1 THR 110 HG1 THR 110 10.442 3.369 -8.734 843 1HG2 THR 110 1HG2 THR 110 12.171 5.331 -11.826 844 2HG2 THR 110 2HG2 THR 110 11.045 3.987 -12.017 845 3HG2 THR 110 3HG2 THR 110 12.703 3.681 -11.499 846 H HIS 111 H HIS 111 12.046 3.733 -7.094 847 HA HIS 111 HA HIS 111 10.923 4.034 -5.138 848 1HB HIS 111 1HB HIS 111 11.944 5.718 -3.650 849 2HB HIS 111 2HB HIS 111 13.146 4.757 -4.499 850 HD1 HIS 111 HD1 HIS 111 11.746 8.230 -4.301 851 HD2 HIS 111 HD2 HIS 111 14.818 6.185 -6.210 852 HE1 HIS 111 HE1 HIS 111 13.220 10.007 -5.296 853 HE2 HIS 111 HE2 HIS 111 15.049 8.745 -6.485 Start of MODEL 12 1 H MET 1 H MET 1 -22.345 4.536 0.362 2 HA MET 1 HA MET 1 -20.321 5.453 2.319 3 1HB MET 1 1HB MET 1 -18.900 5.872 0.358 4 2HB MET 1 2HB MET 1 -19.295 4.167 0.514 5 1HG MET 1 1HG MET 1 -20.991 4.389 -1.217 6 2HG MET 1 2HG MET 1 -20.629 6.108 -1.360 7 1HE MET 1 1HE MET 1 -18.228 3.065 -0.829 8 2HE MET 1 2HE MET 1 -17.645 2.763 -2.465 9 3HE MET 1 3HE MET 1 -19.329 2.435 -2.055 10 H ALA 2 H ALA 2 -22.874 6.162 0.112 11 HA ALA 2 HA ALA 2 -22.254 8.978 -0.094 12 1HB ALA 2 1HB ALA 2 -24.370 9.114 -1.346 13 2HB ALA 2 2HB ALA 2 -24.677 7.417 -0.982 14 3HB ALA 2 3HB ALA 2 -23.294 7.868 -1.979 15 H ASP 3 H ASP 3 -25.003 7.129 1.239 16 HA ASP 3 HA ASP 3 -25.576 9.399 3.014 17 1HB ASP 3 1HB ASP 3 -27.318 7.073 2.177 18 2HB ASP 3 2HB ASP 3 -27.805 8.334 3.306 19 H GLU 4 H GLU 4 -24.524 9.179 4.885 20 HA GLU 4 HA GLU 4 -23.770 8.328 6.851 21 1HB GLU 4 1HB GLU 4 -26.193 6.578 6.439 22 2HB GLU 4 2HB GLU 4 -25.217 6.533 7.901 23 1HG GLU 4 1HG GLU 4 -25.696 8.909 8.275 24 2HG GLU 4 2HG GLU 4 -26.711 8.918 6.834 25 H ASN 5 H ASN 5 -23.587 5.820 7.921 26 HA ASN 5 HA ASN 5 -21.604 4.614 6.163 27 1HB ASN 5 1HB ASN 5 -22.265 4.226 9.083 28 2HB ASN 5 2HB ASN 5 -21.088 3.233 8.231 29 1HD2 ASN 5 1HD2 ASN 5 -21.563 6.632 7.564 30 2HD2 ASN 5 2HD2 ASN 5 -20.049 7.164 8.202 31 H LYS 6 H LYS 6 -23.544 3.946 4.789 32 HA LYS 6 HA LYS 6 -24.652 1.395 5.755 33 1HB LYS 6 1HB LYS 6 -25.662 3.230 3.574 34 2HB LYS 6 2HB LYS 6 -26.392 1.694 4.018 35 1HG LYS 6 1HG LYS 6 -26.105 4.040 5.883 36 2HG LYS 6 2HG LYS 6 -27.555 3.673 4.950 37 1HD LYS 6 1HD LYS 6 -26.286 1.791 6.936 38 2HD LYS 6 2HD LYS 6 -27.635 2.867 7.306 39 1HE LYS 6 1HE LYS 6 -28.908 1.764 5.453 40 2HE LYS 6 2HE LYS 6 -27.592 0.599 5.321 41 1HZ LYS 6 1HZ LYS 6 -29.384 -0.255 6.688 42 2HZ LYS 6 2HZ LYS 6 -29.255 1.064 7.737 43 3HZ LYS 6 3HZ LYS 6 -27.986 -0.047 7.619 44 H TRP 7 H TRP 7 -24.866 -0.336 4.158 45 HA TRP 7 HA TRP 7 -24.076 -1.732 2.553 46 1HB TRP 7 1HB TRP 7 -24.356 -0.593 0.635 47 2HB TRP 7 2HB TRP 7 -23.852 0.920 1.369 48 HD1 TRP 7 HD1 TRP 7 -21.231 1.556 1.180 49 HE1 TRP 7 HE1 TRP 7 -19.433 0.823 -0.508 50 HE3 TRP 7 HE3 TRP 7 -23.580 -2.541 -0.788 51 HZ2 TRP 7 HZ2 TRP 7 -19.059 -1.216 -2.420 52 HZ3 TRP 7 HZ3 TRP 7 -22.432 -3.825 -2.547 53 HH2 TRP 7 HH2 TRP 7 -20.218 -3.174 -3.345 54 H VAL 8 H VAL 8 -22.157 0.106 4.536 55 HA VAL 8 HA VAL 8 -19.542 -0.287 3.834 56 HB VAL 8 HB VAL 8 -19.162 -0.563 6.389 57 1HG1 VAL 8 1HG1 VAL 8 -19.628 1.853 6.725 58 2HG1 VAL 8 2HG1 VAL 8 -20.482 1.864 5.183 59 3HG1 VAL 8 3HG1 VAL 8 -18.756 1.505 5.233 60 1HG2 VAL 8 1HG2 VAL 8 -21.060 0.189 7.758 61 2HG2 VAL 8 2HG2 VAL 8 -21.397 -1.344 6.954 62 3HG2 VAL 8 3HG2 VAL 8 -22.094 0.151 6.330 63 H ARG 9 H ARG 9 -21.536 -2.561 5.736 64 HA ARG 9 HA ARG 9 -20.435 -4.849 4.505 65 1HB ARG 9 1HB ARG 9 -19.180 -5.761 6.433 66 2HB ARG 9 2HB ARG 9 -18.433 -4.316 5.765 67 1HG ARG 9 1HG ARG 9 -19.452 -2.987 7.573 68 2HG ARG 9 2HG ARG 9 -20.115 -4.471 8.258 69 1HD ARG 9 1HD ARG 9 -17.826 -5.354 8.489 70 2HD ARG 9 2HD ARG 9 -17.193 -3.831 7.866 71 HE ARG 9 HE ARG 9 -18.869 -3.377 10.104 72 1HH1 ARG 9 1HH1 ARG 9 -15.698 -4.525 9.223 73 2HH1 ARG 9 2HH1 ARG 9 -14.983 -4.108 10.744 74 1HH2 ARG 9 1HH2 ARG 9 -17.935 -2.825 12.111 75 2HH2 ARG 9 2HH2 ARG 9 -16.255 -3.144 12.386 76 H ARG 10 H ARG 10 -22.738 -3.332 6.169 77 HA ARG 10 HA ARG 10 -23.723 -5.277 7.943 78 1HB ARG 10 1HB ARG 10 -25.299 -3.253 6.338 79 2HB ARG 10 2HB ARG 10 -25.864 -4.100 7.771 80 1HG ARG 10 1HG ARG 10 -24.017 -3.008 9.048 81 2HG ARG 10 2HG ARG 10 -23.669 -2.049 7.608 82 1HD ARG 10 1HD ARG 10 -25.061 -0.757 9.078 83 2HD ARG 10 2HD ARG 10 -26.006 -1.218 7.661 84 HE ARG 10 HE ARG 10 -26.513 -3.167 9.517 85 1HH1 ARG 10 1HH1 ARG 10 -26.825 0.303 9.409 86 2HH1 ARG 10 2HH1 ARG 10 -28.184 0.342 10.483 87 1HH2 ARG 10 1HH2 ARG 10 -28.301 -3.124 10.931 88 2HH2 ARG 10 2HH2 ARG 10 -29.021 -1.605 11.349 89 H ASP 11 H ASP 11 -23.965 -7.322 7.286 90 HA ASP 11 HA ASP 11 -24.873 -9.136 6.254 91 1HB ASP 11 1HB ASP 11 -26.610 -7.025 4.988 92 2HB ASP 11 2HB ASP 11 -26.790 -8.741 4.640 93 H VAL 12 H VAL 12 -22.938 -6.955 4.870 94 HA VAL 12 HA VAL 12 -23.036 -7.978 2.149 95 HB VAL 12 HB VAL 12 -21.025 -6.048 3.302 96 1HG1 VAL 12 1HG1 VAL 12 -20.397 -7.094 1.182 97 2HG1 VAL 12 2HG1 VAL 12 -20.721 -5.372 0.980 98 3HG1 VAL 12 3HG1 VAL 12 -21.918 -6.560 0.468 99 1HG2 VAL 12 1HG2 VAL 12 -22.459 -4.275 2.304 100 2HG2 VAL 12 2HG2 VAL 12 -23.198 -5.098 3.678 101 3HG2 VAL 12 3HG2 VAL 12 -23.704 -5.494 2.036 102 H SER 13 H SER 13 -20.335 -7.510 4.433 103 HA SER 13 HA SER 13 -18.508 -8.767 4.926 104 1HB SER 13 1HB SER 13 -20.200 -11.065 3.915 105 2HB SER 13 2HB SER 13 -18.712 -11.220 4.847 106 HG SER 13 HG SER 13 -20.711 -11.336 6.083 107 H THR 14 H THR 14 -16.717 -9.994 3.964 108 HA THR 14 HA THR 14 -15.132 -10.103 2.321 109 HB THR 14 HB THR 14 -15.789 -11.357 0.309 110 HG1 THR 14 HG1 THR 14 -18.444 -11.203 1.335 111 1HG2 THR 14 1HG2 THR 14 -15.323 -12.673 2.246 112 2HG2 THR 14 2HG2 THR 14 -16.761 -13.355 1.487 113 3HG2 THR 14 3HG2 THR 14 -16.916 -12.345 2.924 114 H ALA 15 H ALA 15 -16.437 -7.562 2.551 115 HA ALA 15 HA ALA 15 -16.912 -6.579 -0.121 116 1HB ALA 15 1HB ALA 15 -18.160 -5.731 1.842 117 2HB ALA 15 2HB ALA 15 -17.357 -4.459 0.921 118 3HB ALA 15 3HB ALA 15 -16.663 -5.016 2.443 119 H LEU 16 H LEU 16 -14.160 -7.342 1.504 120 HA LEU 16 HA LEU 16 -12.425 -5.223 1.304 121 1HB LEU 16 1HB LEU 16 -10.621 -6.799 1.206 122 2HB LEU 16 2HB LEU 16 -11.861 -7.419 2.279 123 HG LEU 16 HG LEU 16 -11.692 -8.309 -0.588 124 1HD1 LEU 16 1HD1 LEU 16 -10.387 -10.230 0.172 125 2HD1 LEU 16 2HD1 LEU 16 -10.281 -9.522 1.783 126 3HD1 LEU 16 3HD1 LEU 16 -9.510 -8.719 0.415 127 1HD2 LEU 16 1HD2 LEU 16 -13.751 -8.852 0.510 128 2HD2 LEU 16 2HD2 LEU 16 -12.891 -9.471 1.920 129 3HD2 LEU 16 3HD2 LEU 16 -12.787 -10.324 0.379 130 H SER 17 H SER 17 -13.957 -6.884 -1.262 131 HA SER 17 HA SER 17 -12.056 -6.416 -3.310 132 1HB SER 17 1HB SER 17 -13.858 -8.075 -3.539 133 2HB SER 17 2HB SER 17 -15.054 -6.780 -3.523 134 HG SER 17 HG SER 17 -13.059 -7.274 -5.474 135 H ARG 18 H ARG 18 -15.025 -4.662 -2.382 136 HA ARG 18 HA ARG 18 -13.834 -2.225 -3.491 137 1HB ARG 18 1HB ARG 18 -16.629 -3.188 -4.120 138 2HB ARG 18 2HB ARG 18 -15.994 -1.603 -4.533 139 1HG ARG 18 1HG ARG 18 -14.306 -2.662 -5.960 140 2HG ARG 18 2HG ARG 18 -14.979 -4.245 -5.561 141 1HD ARG 18 1HD ARG 18 -17.124 -3.573 -6.529 142 2HD ARG 18 2HD ARG 18 -16.454 -1.992 -6.923 143 HE ARG 18 HE ARG 18 -14.778 -3.738 -8.161 144 1HH1 ARG 18 1HH1 ARG 18 -18.226 -3.234 -8.193 145 2HH1 ARG 18 2HH1 ARG 18 -18.422 -3.788 -9.822 146 1HH2 ARG 18 1HH2 ARG 18 -15.026 -4.467 -10.307 147 2HH2 ARG 18 2HH2 ARG 18 -16.602 -4.492 -11.023 148 H MET 19 H MET 19 -13.554 -2.009 -1.084 149 HA MET 19 HA MET 19 -15.915 -0.645 0.010 150 1HB MET 19 1HB MET 19 -15.019 -3.068 0.982 151 2HB MET 19 2HB MET 19 -14.252 -1.907 2.055 152 1HG MET 19 1HG MET 19 -17.198 -2.170 1.502 153 2HG MET 19 2HG MET 19 -16.353 -2.627 2.980 154 1HE MET 19 1HE MET 19 -18.581 -0.179 1.456 155 2HE MET 19 2HE MET 19 -17.175 0.485 0.623 156 3HE MET 19 3HE MET 19 -17.995 1.433 1.863 157 H GLY 20 H GLY 20 -12.419 -1.153 0.227 158 1HA GLY 20 1HA GLY 20 -10.733 0.418 0.402 159 2HA GLY 20 2HA GLY 20 -11.955 1.678 0.396 160 H ASP 21 H ASP 21 -13.152 2.011 2.441 161 HA ASP 21 HA ASP 21 -11.323 2.306 4.586 162 1HB ASP 21 1HB ASP 21 -14.331 2.636 4.548 163 2HB ASP 21 2HB ASP 21 -13.264 3.188 5.836 164 H GLU 22 H GLU 22 -14.462 0.609 4.694 165 HA GLU 22 HA GLU 22 -13.842 -0.855 7.012 166 1HB GLU 22 1HB GLU 22 -15.808 -1.617 4.848 167 2HB GLU 22 2HB GLU 22 -15.813 -2.180 6.513 168 1HG GLU 22 1HG GLU 22 -16.129 0.707 5.754 169 2HG GLU 22 2HG GLU 22 -17.483 -0.401 5.946 170 H ALA 23 H ALA 23 -12.565 -1.128 3.971 171 HA ALA 23 HA ALA 23 -12.129 -4.014 4.123 172 1HB ALA 23 1HB ALA 23 -12.845 -3.243 1.979 173 2HB ALA 23 2HB ALA 23 -11.150 -3.714 1.848 174 3HB ALA 23 3HB ALA 23 -11.588 -2.008 1.944 175 H PHE 24 H PHE 24 -10.523 -1.010 4.668 176 HA PHE 24 HA PHE 24 -7.896 -1.427 4.184 177 1HB PHE 24 1HB PHE 24 -8.976 0.591 5.270 178 2HB PHE 24 2HB PHE 24 -8.863 -0.278 6.798 179 HD1 PHE 24 HD1 PHE 24 -6.382 -0.303 4.056 180 HD2 PHE 24 HD2 PHE 24 -7.347 1.075 7.964 181 HE1 PHE 24 HE1 PHE 24 -4.080 0.483 4.341 182 HE2 PHE 24 HE2 PHE 24 -5.041 1.870 8.254 183 HZ PHE 24 HZ PHE 24 -3.396 1.568 6.442 184 H GLU 25 H GLU 25 -9.496 -2.410 7.222 185 HA GLU 25 HA GLU 25 -7.261 -3.815 8.204 186 1HB GLU 25 1HB GLU 25 -9.925 -3.292 9.057 187 2HB GLU 25 2HB GLU 25 -9.635 -5.019 9.169 188 1HG GLU 25 1HG GLU 25 -7.621 -4.578 10.507 189 2HG GLU 25 2HG GLU 25 -7.978 -2.852 10.432 190 HA PRO 26 HA PRO 26 -9.775 -7.853 6.552 191 1HB PRO 26 1HB PRO 26 -10.656 -6.316 4.131 192 2HB PRO 26 2HB PRO 26 -11.385 -7.745 4.876 193 1HG PRO 26 1HG PRO 26 -12.400 -5.322 5.311 194 2HG PRO 26 2HG PRO 26 -12.326 -6.529 6.608 195 1HD PRO 26 1HD PRO 26 -10.725 -4.068 6.233 196 2HD PRO 26 2HD PRO 26 -11.122 -4.943 7.722 197 H LEU 27 H LEU 27 -8.307 -5.341 4.521 198 HA LEU 27 HA LEU 27 -7.040 -6.878 2.618 199 1HB LEU 27 1HB LEU 27 -6.603 -4.254 3.902 200 2HB LEU 27 2HB LEU 27 -5.219 -4.930 3.063 201 HG LEU 27 HG LEU 27 -6.509 -3.376 1.673 202 1HD1 LEU 27 1HD1 LEU 27 -6.606 -6.228 0.718 203 2HD1 LEU 27 2HD1 LEU 27 -5.219 -5.143 0.616 204 3HD1 LEU 27 3HD1 LEU 27 -6.681 -4.795 -0.306 205 1HD2 LEU 27 1HD2 LEU 27 -8.727 -3.533 2.318 206 2HD2 LEU 27 2HD2 LEU 27 -8.734 -5.294 2.217 207 3HD2 LEU 27 3HD2 LEU 27 -8.707 -4.326 0.744 208 H LEU 28 H LEU 28 -5.658 -5.712 5.679 209 HA LEU 28 HA LEU 28 -3.356 -7.400 5.509 210 1HB LEU 28 1HB LEU 28 -2.806 -5.576 6.737 211 2HB LEU 28 2HB LEU 28 -4.436 -5.359 7.339 212 HG LEU 28 HG LEU 28 -3.999 -7.256 8.943 213 1HD1 LEU 28 1HD1 LEU 28 -2.128 -8.303 7.797 214 2HD1 LEU 28 2HD1 LEU 28 -1.640 -7.782 9.409 215 3HD1 LEU 28 3HD1 LEU 28 -1.162 -6.841 7.996 216 1HD2 LEU 28 1HD2 LEU 28 -2.730 -5.864 10.488 217 2HD2 LEU 28 2HD2 LEU 28 -3.929 -4.910 9.614 218 3HD2 LEU 28 3HD2 LEU 28 -2.228 -4.825 9.154 219 H GLU 29 H GLU 29 -6.503 -7.624 7.002 220 HA GLU 29 HA GLU 29 -5.953 -9.726 8.788 221 1HB GLU 29 1HB GLU 29 -8.515 -8.859 7.450 222 2HB GLU 29 2HB GLU 29 -8.445 -10.129 8.664 223 1HG GLU 29 1HG GLU 29 -7.451 -8.471 10.236 224 2HG GLU 29 2HG GLU 29 -7.745 -7.226 9.023 225 H SER 30 H SER 30 -6.621 -9.612 5.379 226 HA SER 30 HA SER 30 -7.326 -12.322 4.995 227 1HB SER 30 1HB SER 30 -7.794 -10.555 3.334 228 2HB SER 30 2HB SER 30 -6.064 -10.400 3.025 229 HG SER 30 HG SER 30 -7.460 -11.849 1.627 230 H LEU 31 H LEU 31 -4.338 -10.822 5.679 231 HA LEU 31 HA LEU 31 -2.594 -12.632 4.371 232 1HB LEU 31 1HB LEU 31 -2.191 -10.869 6.785 233 2HB LEU 31 2HB LEU 31 -0.907 -11.800 6.040 234 HG LEU 31 HG LEU 31 -2.476 -9.593 4.704 235 1HD1 LEU 31 1HD1 LEU 31 -0.932 -8.810 6.450 236 2HD1 LEU 31 2HD1 LEU 31 -0.422 -8.319 4.836 237 3HD1 LEU 31 3HD1 LEU 31 0.387 -9.661 5.647 238 1HD2 LEU 31 1HD2 LEU 31 -0.896 -9.831 2.876 239 2HD2 LEU 31 2HD2 LEU 31 -1.755 -11.348 3.140 240 3HD2 LEU 31 3HD2 LEU 31 -0.098 -11.162 3.712 241 H SER 32 H SER 32 -4.754 -13.142 6.828 242 HA SER 32 HA SER 32 -3.201 -15.433 7.848 243 1HB SER 32 1HB SER 32 -4.386 -15.195 9.987 244 2HB SER 32 2HB SER 32 -3.506 -13.720 9.589 245 HG SER 32 HG SER 32 -6.040 -13.921 10.168 246 H ASN 33 H ASN 33 -5.220 -15.096 5.605 247 HA ASN 33 HA ASN 33 -7.469 -16.681 6.522 248 1HB ASN 33 1HB ASN 33 -8.345 -16.416 4.275 249 2HB ASN 33 2HB ASN 33 -7.784 -14.858 4.872 250 1HD2 ASN 33 1HD2 ASN 33 -8.156 -15.130 2.247 251 2HD2 ASN 33 2HD2 ASN 33 -6.649 -15.198 1.406 252 H GLU 34 H GLU 34 -7.994 -18.761 5.774 253 HA GLU 34 HA GLU 34 -5.833 -20.541 5.557 254 1HB GLU 34 1HB GLU 34 -8.071 -21.093 6.494 255 2HB GLU 34 2HB GLU 34 -8.729 -21.047 4.864 256 1HG GLU 34 1HG GLU 34 -7.229 -22.864 4.219 257 2HG GLU 34 2HG GLU 34 -6.604 -22.919 5.864 258 H ASP 35 H ASP 35 -7.840 -18.971 3.153 259 HA ASP 35 HA ASP 35 -6.879 -20.638 0.999 260 1HB ASP 35 1HB ASP 35 -9.179 -19.616 1.049 261 2HB ASP 35 2HB ASP 35 -8.421 -18.048 0.783 262 H TRP 36 H TRP 36 -5.855 -19.643 -0.946 263 HA TRP 36 HA TRP 36 -3.822 -17.687 -0.101 264 1HB TRP 36 1HB TRP 36 -3.632 -19.764 -2.293 265 2HB TRP 36 2HB TRP 36 -2.348 -18.673 -1.782 266 HD1 TRP 36 HD1 TRP 36 -4.015 -21.948 -0.881 267 HE1 TRP 36 HE1 TRP 36 -2.734 -23.039 1.068 268 HE3 TRP 36 HE3 TRP 36 -0.945 -18.054 0.365 269 HZ2 TRP 36 HZ2 TRP 36 -0.699 -22.346 2.887 270 HZ3 TRP 36 HZ3 TRP 36 0.640 -18.352 2.223 271 HH2 TRP 36 HH2 TRP 36 0.756 -20.457 3.455 272 H ARG 37 H ARG 37 -5.920 -18.636 -2.792 273 HA ARG 37 HA ARG 37 -5.216 -16.642 -4.601 274 1HB ARG 37 1HB ARG 37 -6.633 -18.648 -5.076 275 2HB ARG 37 2HB ARG 37 -7.958 -17.856 -4.236 276 1HG ARG 37 1HG ARG 37 -7.988 -16.083 -5.865 277 2HG ARG 37 2HG ARG 37 -6.575 -16.764 -6.671 278 1HD ARG 37 1HD ARG 37 -7.840 -18.773 -7.220 279 2HD ARG 37 2HD ARG 37 -9.249 -18.128 -6.378 280 HE ARG 37 HE ARG 37 -8.964 -16.235 -8.139 281 1HH1 ARG 37 1HH1 ARG 37 -8.447 -19.647 -8.639 282 2HH1 ARG 37 2HH1 ARG 37 -8.887 -19.598 -10.314 283 1HH2 ARG 37 1HH2 ARG 37 -9.543 -16.163 -10.341 284 2HH2 ARG 37 2HH2 ARG 37 -9.508 -17.618 -11.281 285 H ILE 38 H ILE 38 -7.263 -16.537 -1.777 286 HA ILE 38 HA ILE 38 -8.475 -14.014 -2.433 287 HB ILE 38 HB ILE 38 -8.353 -15.447 0.224 288 1HG1 ILE 38 1HG1 ILE 38 -10.565 -15.378 -1.841 289 2HG1 ILE 38 2HG1 ILE 38 -9.460 -16.728 -1.605 290 1HG2 ILE 38 1HG2 ILE 38 -10.263 -14.024 0.825 291 2HG2 ILE 38 2HG2 ILE 38 -10.104 -13.177 -0.713 292 3HG2 ILE 38 3HG2 ILE 38 -8.816 -13.077 0.487 293 1HD1 ILE 38 1HD1 ILE 38 -11.540 -17.208 -0.525 294 2HD1 ILE 38 2HD1 ILE 38 -11.483 -15.683 0.359 295 3HD1 ILE 38 3HD1 ILE 38 -10.306 -16.951 0.708 296 H ARG 39 H ARG 39 -5.864 -15.115 -0.309 297 HA ARG 39 HA ARG 39 -5.274 -12.632 0.862 298 1HB ARG 39 1HB ARG 39 -4.424 -14.794 1.711 299 2HB ARG 39 2HB ARG 39 -3.391 -14.933 0.296 300 1HG ARG 39 1HG ARG 39 -2.282 -12.805 1.002 301 2HG ARG 39 2HG ARG 39 -3.210 -12.893 2.499 302 1HD ARG 39 1HD ARG 39 -1.271 -14.974 1.494 303 2HD ARG 39 2HD ARG 39 -0.957 -13.808 2.778 304 HE ARG 39 HE ARG 39 -3.260 -15.303 3.403 305 1HH1 ARG 39 1HH1 ARG 39 0.202 -15.637 3.177 306 2HH1 ARG 39 2HH1 ARG 39 0.286 -16.907 4.353 307 1HH2 ARG 39 1HH2 ARG 39 -3.156 -16.974 4.957 308 2HH2 ARG 39 2HH2 ARG 39 -1.620 -17.666 5.362 309 H GLY 40 H GLY 40 -4.719 -13.861 -2.288 310 1HA GLY 40 1HA GLY 40 -2.432 -12.399 -3.037 311 2HA GLY 40 2HA GLY 40 -3.662 -13.005 -4.136 312 H ALA 41 H ALA 41 -5.783 -11.687 -4.017 313 HA ALA 41 HA ALA 41 -5.379 -9.165 -5.018 314 1HB ALA 41 1HB ALA 41 -7.481 -10.383 -5.242 315 2HB ALA 41 2HB ALA 41 -7.754 -8.755 -4.624 316 3HB ALA 41 3HB ALA 41 -7.814 -10.135 -3.528 317 H ALA 42 H ALA 42 -5.528 -10.160 -1.680 318 HA ALA 42 HA ALA 42 -6.035 -7.663 -0.488 319 1HB ALA 42 1HB ALA 42 -6.196 -9.750 0.755 320 2HB ALA 42 2HB ALA 42 -5.071 -8.644 1.542 321 3HB ALA 42 3HB ALA 42 -4.457 -9.996 0.592 322 H ALA 43 H ALA 43 -2.930 -9.350 -0.946 323 HA ALA 43 HA ALA 43 -1.285 -7.201 -0.147 324 1HB ALA 43 1HB ALA 43 -0.682 -9.518 -1.987 325 2HB ALA 43 2HB ALA 43 -0.496 -9.499 -0.234 326 3HB ALA 43 3HB ALA 43 0.516 -8.462 -1.238 327 H TRP 44 H TRP 44 -2.767 -8.071 -3.190 328 HA TRP 44 HA TRP 44 -1.197 -6.399 -4.858 329 1HB TRP 44 1HB TRP 44 -3.747 -7.922 -5.184 330 2HB TRP 44 2HB TRP 44 -3.281 -6.751 -6.411 331 HD1 TRP 44 HD1 TRP 44 -1.517 -9.691 -4.575 332 HE1 TRP 44 HE1 TRP 44 -0.096 -10.958 -6.304 333 HE3 TRP 44 HE3 TRP 44 -2.517 -6.837 -8.695 334 HZ2 TRP 44 HZ2 TRP 44 0.522 -10.775 -9.048 335 HZ3 TRP 44 HZ3 TRP 44 -1.472 -7.453 -10.836 336 HH2 TRP 44 HH2 TRP 44 0.015 -9.382 -11.008 337 H ILE 45 H ILE 45 -4.184 -5.863 -3.056 338 HA ILE 45 HA ILE 45 -4.488 -3.230 -4.316 339 HB ILE 45 HB ILE 45 -6.372 -4.680 -2.450 340 1HG1 ILE 45 1HG1 ILE 45 -6.553 -4.273 -5.444 341 2HG1 ILE 45 2HG1 ILE 45 -6.084 -5.780 -4.664 342 1HG2 ILE 45 1HG2 ILE 45 -6.619 -2.259 -2.330 343 2HG2 ILE 45 2HG2 ILE 45 -8.010 -2.992 -3.126 344 3HG2 ILE 45 3HG2 ILE 45 -6.774 -2.177 -4.084 345 1HD1 ILE 45 1HD1 ILE 45 -8.397 -5.861 -5.359 346 2HD1 ILE 45 2HD1 ILE 45 -8.752 -4.409 -4.425 347 3HD1 ILE 45 3HD1 ILE 45 -8.288 -5.897 -3.599 348 H ILE 46 H ILE 46 -3.441 -4.718 -1.410 349 HA ILE 46 HA ILE 46 -4.007 -2.705 0.453 350 HB ILE 46 HB ILE 46 -3.097 -5.124 0.795 351 1HG1 ILE 46 1HG1 ILE 46 -2.065 -2.942 2.601 352 2HG1 ILE 46 2HG1 ILE 46 -3.766 -3.392 2.503 353 1HG2 ILE 46 1HG2 ILE 46 -0.735 -5.270 1.275 354 2HG2 ILE 46 2HG2 ILE 46 -0.515 -3.572 0.857 355 3HG2 ILE 46 3HG2 ILE 46 -0.970 -4.735 -0.389 356 1HD1 ILE 46 1HD1 ILE 46 -1.524 -5.239 3.280 357 2HD1 ILE 46 2HD1 ILE 46 -3.244 -5.630 3.253 358 3HD1 ILE 46 3HD1 ILE 46 -2.628 -4.438 4.398 359 H GLY 47 H GLY 47 -1.376 -3.018 -1.853 360 1HA GLY 47 1HA GLY 47 0.302 -1.037 -0.695 361 2HA GLY 47 2HA GLY 47 0.403 -1.644 -2.338 362 H ASN 48 H ASN 48 -2.511 -0.828 -2.688 363 HA ASN 48 HA ASN 48 -1.964 1.715 -3.838 364 1HB ASN 48 1HB ASN 48 -4.688 0.500 -3.374 365 2HB ASN 48 2HB ASN 48 -4.235 1.688 -4.593 366 1HD2 ASN 48 1HD2 ASN 48 -1.712 0.322 -5.182 367 2HD2 ASN 48 2HD2 ASN 48 -2.135 -1.067 -6.117 368 H PHE 49 H PHE 49 -2.733 0.818 -0.680 369 HA PHE 49 HA PHE 49 -4.259 3.187 -0.025 370 1HB PHE 49 1HB PHE 49 -3.162 0.939 1.662 371 2HB PHE 49 2HB PHE 49 -4.056 2.301 2.329 372 HD1 PHE 49 HD1 PHE 49 -4.273 -0.717 0.263 373 HD2 PHE 49 HD2 PHE 49 -6.425 2.503 2.024 374 HE1 PHE 49 HE1 PHE 49 -6.388 -1.887 -0.193 375 HE2 PHE 49 HE2 PHE 49 -8.544 1.340 1.570 376 HZ PHE 49 HZ PHE 49 -8.528 -0.858 0.460 377 H GLN 50 H GLN 50 -0.948 2.057 0.318 378 HA GLN 50 HA GLN 50 0.973 3.095 0.955 379 1HB GLN 50 1HB GLN 50 -0.636 5.580 0.345 380 2HB GLN 50 2HB GLN 50 1.097 5.558 0.637 381 1HG GLN 50 1HG GLN 50 1.174 5.458 -1.604 382 2HG GLN 50 2HG GLN 50 0.975 3.735 -1.294 383 1HE2 GLN 50 1HE2 GLN 50 -1.582 6.077 -0.856 384 2HE2 GLN 50 2HE2 GLN 50 -2.566 5.536 -2.168 385 H ASP 51 H ASP 51 -0.505 2.218 3.034 386 HA ASP 51 HA ASP 51 -0.092 4.320 5.056 387 1HB ASP 51 1HB ASP 51 -2.532 3.791 4.522 388 2HB ASP 51 2HB ASP 51 -2.245 2.224 5.267 389 H GLU 52 H GLU 52 -0.212 3.159 7.351 390 HA GLU 52 HA GLU 52 2.113 1.620 7.584 391 1HB GLU 52 1HB GLU 52 -0.158 1.939 9.551 392 2HB GLU 52 2HB GLU 52 1.437 1.307 9.936 393 1HG GLU 52 1HG GLU 52 0.904 4.073 8.882 394 2HG GLU 52 2HG GLU 52 1.120 3.668 10.583 395 H ARG 53 H ARG 53 -1.299 0.632 7.669 396 HA ARG 53 HA ARG 53 -0.821 -2.076 8.298 397 1HB ARG 53 1HB ARG 53 -3.144 -0.839 6.815 398 2HB ARG 53 2HB ARG 53 -3.118 -2.465 7.477 399 1HG ARG 53 1HG ARG 53 -2.471 -0.363 9.410 400 2HG ARG 53 2HG ARG 53 -4.106 -0.286 8.750 401 1HD ARG 53 1HD ARG 53 -4.561 -2.527 9.438 402 2HD ARG 53 2HD ARG 53 -2.880 -2.777 9.912 403 HE ARG 53 HE ARG 53 -4.008 -0.608 11.343 404 1HH1 ARG 53 1HH1 ARG 53 -4.023 -4.086 11.165 405 2HH1 ARG 53 2HH1 ARG 53 -4.423 -4.300 12.836 406 1HH2 ARG 53 1HH2 ARG 53 -4.532 -0.879 13.548 407 2HH2 ARG 53 2HH2 ARG 53 -4.714 -2.477 14.191 408 H ALA 54 H ALA 54 -0.100 -0.354 5.518 409 HA ALA 54 HA ALA 54 -0.264 -2.737 3.800 410 1HB ALA 54 1HB ALA 54 -1.385 -0.715 2.957 411 2HB ALA 54 2HB ALA 54 -0.059 -1.226 1.914 412 3HB ALA 54 3HB ALA 54 0.156 0.142 3.005 413 H VAL 55 H VAL 55 1.809 -1.453 5.853 414 HA VAL 55 HA VAL 55 4.187 -1.471 4.181 415 HB VAL 55 HB VAL 55 3.879 -0.971 7.143 416 1HG1 VAL 55 1HG1 VAL 55 6.169 -0.070 6.990 417 2HG1 VAL 55 2HG1 VAL 55 6.264 -0.665 5.333 418 3HG1 VAL 55 3HG1 VAL 55 6.088 -1.801 6.669 419 1HG2 VAL 55 1HG2 VAL 55 4.130 0.873 4.778 420 2HG2 VAL 55 2HG2 VAL 55 4.411 1.390 6.440 421 3HG2 VAL 55 3HG2 VAL 55 2.825 0.791 5.960 422 H GLU 56 H GLU 56 3.120 -3.163 7.147 423 HA GLU 56 HA GLU 56 5.248 -4.957 7.267 424 1HB GLU 56 1HB GLU 56 3.788 -4.634 9.162 425 2HB GLU 56 2HB GLU 56 2.418 -5.277 8.266 426 1HG GLU 56 1HG GLU 56 3.280 -7.461 8.303 427 2HG GLU 56 2HG GLU 56 4.877 -6.908 8.806 428 HA PRO 57 HA PRO 57 2.068 -8.071 4.885 429 1HB PRO 57 1HB PRO 57 1.446 -5.867 2.957 430 2HB PRO 57 2HB PRO 57 0.485 -7.287 3.388 431 1HG PRO 57 1HG PRO 57 -0.091 -4.905 4.420 432 2HG PRO 57 2HG PRO 57 -0.205 -6.374 5.406 433 1HD PRO 57 1HD PRO 57 1.808 -4.199 5.480 434 2HD PRO 57 2HD PRO 57 1.263 -5.281 6.776 435 H LEU 58 H LEU 58 3.515 -5.382 3.056 436 HA LEU 58 HA LEU 58 4.584 -6.855 0.979 437 1HB LEU 58 1HB LEU 58 5.973 -4.452 2.123 438 2HB LEU 58 2HB LEU 58 5.890 -4.967 0.449 439 HG LEU 58 HG LEU 58 3.671 -3.746 2.089 440 1HD1 LEU 58 1HD1 LEU 58 5.111 -2.814 -0.388 441 2HD1 LEU 58 2HD1 LEU 58 5.293 -2.153 1.237 442 3HD1 LEU 58 3HD1 LEU 58 3.757 -1.991 0.386 443 1HD2 LEU 58 1HD2 LEU 58 3.562 -4.835 -0.722 444 2HD2 LEU 58 2HD2 LEU 58 2.280 -3.935 0.090 445 3HD2 LEU 58 3HD2 LEU 58 2.759 -5.522 0.690 446 H ILE 59 H ILE 59 5.980 -6.195 4.158 447 HA ILE 59 HA ILE 59 8.576 -7.110 3.649 448 HB ILE 59 HB ILE 59 7.058 -7.229 6.251 449 1HG1 ILE 59 1HG1 ILE 59 7.120 -4.961 5.356 450 2HG1 ILE 59 2HG1 ILE 59 8.187 -5.089 6.748 451 1HG2 ILE 59 1HG2 ILE 59 9.312 -7.184 7.277 452 2HG2 ILE 59 2HG2 ILE 59 10.010 -7.380 5.670 453 3HG2 ILE 59 3HG2 ILE 59 8.991 -8.649 6.351 454 1HD1 ILE 59 1HD1 ILE 59 8.979 -5.002 3.849 455 2HD1 ILE 59 2HD1 ILE 59 10.099 -5.330 5.171 456 3HD1 ILE 59 3HD1 ILE 59 9.270 -3.776 5.082 457 H LYS 60 H LYS 60 5.958 -8.885 5.311 458 HA LYS 60 HA LYS 60 7.361 -11.358 5.271 459 1HB LYS 60 1HB LYS 60 4.384 -11.035 5.600 460 2HB LYS 60 2HB LYS 60 5.412 -12.306 6.244 461 1HG LYS 60 1HG LYS 60 5.520 -9.415 7.084 462 2HG LYS 60 2HG LYS 60 4.672 -10.696 7.952 463 1HD LYS 60 1HD LYS 60 6.781 -11.884 8.278 464 2HD LYS 60 2HD LYS 60 7.636 -10.625 7.385 465 1HE LYS 60 1HE LYS 60 6.116 -10.243 9.964 466 2HE LYS 60 2HE LYS 60 7.870 -10.335 9.805 467 1HZ LYS 60 1HZ LYS 60 7.103 -8.047 9.950 468 2HZ LYS 60 2HZ LYS 60 6.138 -8.257 8.578 469 3HZ LYS 60 3HZ LYS 60 7.822 -8.341 8.447 470 H LEU 61 H LEU 61 5.833 -9.710 2.810 471 HA LEU 61 HA LEU 61 4.789 -12.056 1.450 472 1HB LEU 61 1HB LEU 61 4.611 -9.131 1.110 473 2HB LEU 61 2HB LEU 61 4.519 -10.089 -0.354 474 HG LEU 61 HG LEU 61 2.505 -11.038 0.222 475 1HD1 LEU 61 1HD1 LEU 61 1.573 -11.064 2.520 476 2HD1 LEU 61 2HD1 LEU 61 3.088 -10.379 3.103 477 3HD1 LEU 61 3HD1 LEU 61 3.073 -11.976 2.359 478 1HD2 LEU 61 1HD2 LEU 61 1.106 -9.189 1.258 479 2HD2 LEU 61 2HD2 LEU 61 2.015 -8.789 -0.199 480 3HD2 LEU 61 3HD2 LEU 61 2.610 -8.276 1.379 481 H LEU 62 H LEU 62 7.412 -9.707 0.983 482 HA LEU 62 HA LEU 62 8.255 -10.652 -1.530 483 1HB LEU 62 1HB LEU 62 9.921 -9.349 0.625 484 2HB LEU 62 2HB LEU 62 10.325 -9.452 -1.080 485 HG LEU 62 HG LEU 62 7.783 -8.099 -0.283 486 1HD1 LEU 62 1HD1 LEU 62 8.957 -5.986 -0.007 487 2HD1 LEU 62 2HD1 LEU 62 10.507 -6.803 -0.198 488 3HD1 LEU 62 3HD1 LEU 62 9.492 -7.152 1.201 489 1HD2 LEU 62 1HD2 LEU 62 8.236 -6.793 -2.278 490 2HD2 LEU 62 2HD2 LEU 62 8.306 -8.517 -2.648 491 3HD2 LEU 62 3HD2 LEU 62 9.797 -7.591 -2.472 492 H GLU 63 H GLU 63 8.277 -12.109 1.447 493 HA GLU 63 HA GLU 63 10.371 -14.002 0.621 494 1HB GLU 63 1HB GLU 63 10.731 -14.385 3.074 495 2HB GLU 63 2HB GLU 63 11.203 -12.792 2.508 496 1HG GLU 63 1HG GLU 63 9.166 -11.840 3.398 497 2HG GLU 63 2HG GLU 63 8.614 -13.437 3.900 498 H ASP 64 H ASP 64 7.133 -13.548 1.094 499 HA ASP 64 HA ASP 64 6.305 -15.855 2.454 500 1HB ASP 64 1HB ASP 64 4.879 -13.851 1.904 501 2HB ASP 64 2HB ASP 64 4.774 -14.467 0.258 502 H ASP 65 H ASP 65 7.333 -15.332 -0.772 503 HA ASP 65 HA ASP 65 7.667 -16.693 -2.567 504 1HB ASP 65 1HB ASP 65 9.049 -17.813 -0.740 505 2HB ASP 65 2HB ASP 65 7.727 -18.966 -0.584 506 H SER 66 H SER 66 4.854 -16.279 -1.595 507 HA SER 66 HA SER 66 3.556 -18.794 -2.246 508 1HB SER 66 1HB SER 66 2.591 -17.423 -0.477 509 2HB SER 66 2HB SER 66 2.402 -16.077 -1.599 510 HG SER 66 HG SER 66 1.184 -18.607 -1.974 511 H GLY 67 H GLY 67 4.915 -16.381 -4.030 512 1HA GLY 67 1HA GLY 67 4.873 -16.072 -6.331 513 2HA GLY 67 2HA GLY 67 3.542 -17.218 -6.426 514 H PHE 68 H PHE 68 1.424 -16.390 -5.544 515 HA PHE 68 HA PHE 68 0.717 -13.980 -6.873 516 1HB PHE 68 1HB PHE 68 -0.716 -16.093 -6.249 517 2HB PHE 68 2HB PHE 68 -0.985 -15.234 -4.740 518 HD1 PHE 68 HD1 PHE 68 -2.961 -16.115 -6.943 519 HD2 PHE 68 HD2 PHE 68 -1.057 -12.402 -6.061 520 HE1 PHE 68 HE1 PHE 68 -4.829 -14.912 -7.986 521 HE2 PHE 68 HE2 PHE 68 -2.925 -11.201 -7.110 522 HZ PHE 68 HZ PHE 68 -4.813 -12.451 -8.074 523 H VAL 69 H VAL 69 0.778 -14.895 -3.441 524 HA VAL 69 HA VAL 69 0.302 -12.280 -2.472 525 HB VAL 69 HB VAL 69 1.581 -14.552 -0.966 526 1HG1 VAL 69 1HG1 VAL 69 0.100 -12.083 -0.107 527 2HG1 VAL 69 2HG1 VAL 69 1.753 -12.558 0.286 528 3HG1 VAL 69 3HG1 VAL 69 0.394 -13.454 0.963 529 1HG2 VAL 69 1HG2 VAL 69 -0.428 -15.404 -1.949 530 2HG2 VAL 69 2HG2 VAL 69 -1.330 -13.966 -1.469 531 3HG2 VAL 69 3HG2 VAL 69 -0.743 -15.090 -0.243 532 H ARG 70 H ARG 70 3.198 -14.042 -3.304 533 HA ARG 70 HA ARG 70 5.015 -12.322 -1.940 534 1HB ARG 70 1HB ARG 70 5.513 -14.672 -2.702 535 2HB ARG 70 2HB ARG 70 5.609 -14.049 -4.344 536 1HG ARG 70 1HG ARG 70 7.377 -12.443 -3.453 537 2HG ARG 70 2HG ARG 70 7.415 -13.474 -2.021 538 1HD ARG 70 1HD ARG 70 7.787 -15.411 -3.626 539 2HD ARG 70 2HD ARG 70 8.097 -14.189 -4.853 540 HE ARG 70 HE ARG 70 9.722 -13.543 -2.729 541 1HH1 ARG 70 1HH1 ARG 70 9.303 -16.270 -4.859 542 2HH1 ARG 70 2HH1 ARG 70 10.961 -16.761 -4.764 543 1HH2 ARG 70 1HH2 ARG 70 11.904 -14.183 -2.598 544 2HH2 ARG 70 2HH2 ARG 70 12.438 -15.578 -3.476 545 H SER 71 H SER 71 4.460 -12.731 -5.441 546 HA SER 71 HA SER 71 5.830 -10.403 -6.200 547 1HB SER 71 1HB SER 71 3.620 -11.849 -7.675 548 2HB SER 71 2HB SER 71 4.739 -10.683 -8.380 549 HG SER 71 HG SER 71 6.411 -12.218 -7.516 550 H GLY 72 H GLY 72 2.679 -10.844 -4.898 551 1HA GLY 72 1HA GLY 72 1.408 -8.556 -5.963 552 2HA GLY 72 2HA GLY 72 0.957 -9.384 -4.479 553 H ALA 73 H ALA 73 3.794 -8.932 -3.507 554 HA ALA 73 HA ALA 73 3.260 -6.335 -2.327 555 1HB ALA 73 1HB ALA 73 5.406 -8.371 -1.759 556 2HB ALA 73 2HB ALA 73 3.926 -8.104 -0.839 557 3HB ALA 73 3HB ALA 73 5.179 -6.865 -0.869 558 H ALA 74 H ALA 74 5.913 -7.897 -4.124 559 HA ALA 74 HA ALA 74 7.764 -5.912 -4.236 560 1HB ALA 74 1HB ALA 74 8.533 -6.835 -6.328 561 2HB ALA 74 2HB ALA 74 6.979 -7.627 -6.587 562 3HB ALA 74 3HB ALA 74 8.019 -8.139 -5.259 563 H ARG 75 H ARG 75 4.720 -6.022 -5.974 564 HA ARG 75 HA ARG 75 5.351 -3.765 -7.646 565 1HB ARG 75 1HB ARG 75 2.881 -3.892 -8.205 566 2HB ARG 75 2HB ARG 75 3.831 -5.322 -8.586 567 1HG ARG 75 1HG ARG 75 2.978 -6.485 -6.688 568 2HG ARG 75 2HG ARG 75 2.195 -5.026 -6.079 569 1HD ARG 75 1HD ARG 75 0.684 -6.686 -7.233 570 2HD ARG 75 2HD ARG 75 0.612 -5.030 -7.838 571 HE ARG 75 HE ARG 75 2.137 -7.168 -9.181 572 1HH1 ARG 75 1HH1 ARG 75 0.003 -4.412 -9.255 573 2HH1 ARG 75 2HH1 ARG 75 -0.081 -4.362 -10.983 574 1HH2 ARG 75 1HH2 ARG 75 2.027 -7.110 -11.456 575 2HH2 ARG 75 2HH2 ARG 75 1.065 -5.898 -12.235 576 H SER 76 H SER 76 3.668 -4.330 -4.627 577 HA SER 76 HA SER 76 2.389 -1.836 -4.395 578 1HB SER 76 1HB SER 76 3.341 -3.737 -2.245 579 2HB SER 76 2HB SER 76 2.267 -2.366 -1.969 580 HG SER 76 HG SER 76 0.767 -3.347 -3.376 581 H LEU 77 H LEU 77 5.649 -2.895 -3.522 582 HA LEU 77 HA LEU 77 6.429 -0.746 -1.951 583 1HB LEU 77 1HB LEU 77 7.958 -2.478 -3.876 584 2HB LEU 77 2HB LEU 77 8.746 -1.219 -2.949 585 HG LEU 77 HG LEU 77 9.063 -3.363 -1.888 586 1HD1 LEU 77 1HD1 LEU 77 8.236 -2.853 0.345 587 2HD1 LEU 77 2HD1 LEU 77 7.127 -1.663 -0.334 588 3HD1 LEU 77 3HD1 LEU 77 8.868 -1.410 -0.446 589 1HD2 LEU 77 1HD2 LEU 77 7.105 -4.516 -2.742 590 2HD2 LEU 77 2HD2 LEU 77 6.067 -3.530 -1.713 591 3HD2 LEU 77 3HD2 LEU 77 7.213 -4.657 -0.988 592 H GLU 78 H GLU 78 7.003 -1.132 -5.450 593 HA GLU 78 HA GLU 78 7.870 1.506 -5.869 594 1HB GLU 78 1HB GLU 78 8.230 -0.467 -7.397 595 2HB GLU 78 2HB GLU 78 6.562 -0.279 -7.920 596 1HG GLU 78 1HG GLU 78 7.048 1.945 -8.753 597 2HG GLU 78 2HG GLU 78 8.708 1.816 -8.173 598 H GLN 79 H GLN 79 4.700 0.122 -5.639 599 HA GLN 79 HA GLN 79 3.230 2.094 -7.001 600 1HB GLN 79 1HB GLN 79 2.628 -0.002 -4.991 601 2HB GLN 79 2HB GLN 79 1.460 1.303 -5.137 602 1HG GLN 79 1HG GLN 79 0.939 0.763 -7.331 603 2HG GLN 79 2HG GLN 79 2.425 -0.154 -7.558 604 1HE2 GLN 79 1HE2 GLN 79 0.446 -0.487 -4.714 605 2HE2 GLN 79 2HE2 GLN 79 -0.127 -2.078 -5.057 606 H ILE 80 H ILE 80 3.989 1.763 -3.541 607 HA ILE 80 HA ILE 80 2.793 4.199 -2.760 608 HB ILE 80 HB ILE 80 5.033 2.698 -1.394 609 1HG1 ILE 80 1HG1 ILE 80 2.055 2.533 -0.895 610 2HG1 ILE 80 2HG1 ILE 80 2.955 1.362 -1.849 611 1HG2 ILE 80 1HG2 ILE 80 4.215 3.824 0.642 612 2HG2 ILE 80 2HG2 ILE 80 3.094 4.757 -0.350 613 3HG2 ILE 80 3HG2 ILE 80 4.833 4.958 -0.559 614 1HD1 ILE 80 1HD1 ILE 80 3.532 1.983 1.033 615 2HD1 ILE 80 2HD1 ILE 80 4.213 0.681 0.059 616 3HD1 ILE 80 3HD1 ILE 80 2.502 0.662 0.484 617 H GLY 81 H GLY 81 6.229 3.346 -3.204 618 1HA GLY 81 1HA GLY 81 8.027 4.616 -3.846 619 2HA GLY 81 2HA GLY 81 6.883 5.761 -4.523 620 H GLY 82 H GLY 82 9.294 5.393 -2.315 621 1HA GLY 82 1HA GLY 82 9.543 7.837 -1.335 622 2HA GLY 82 2HA GLY 82 8.209 7.257 -0.348 623 H GLU 83 H GLU 83 10.230 7.990 1.090 624 HA GLU 83 HA GLU 83 12.347 6.175 1.455 625 1HB GLU 83 1HB GLU 83 12.282 8.515 2.315 626 2HB GLU 83 2HB GLU 83 11.113 8.002 3.523 627 1HG GLU 83 1HG GLU 83 12.746 6.493 4.494 628 2HG GLU 83 2HG GLU 83 13.917 6.942 3.256 629 H ARG 84 H ARG 84 9.038 6.059 2.392 630 HA ARG 84 HA ARG 84 9.229 4.372 4.632 631 1HB ARG 84 1HB ARG 84 6.828 3.702 3.888 632 2HB ARG 84 2HB ARG 84 7.139 5.348 4.419 633 1HG ARG 84 1HG ARG 84 7.421 4.838 1.527 634 2HG ARG 84 2HG ARG 84 5.788 4.741 2.188 635 1HD ARG 84 1HD ARG 84 7.684 7.074 2.465 636 2HD ARG 84 2HD ARG 84 6.295 6.991 1.383 637 HE ARG 84 HE ARG 84 5.795 6.653 4.235 638 1HH1 ARG 84 1HH1 ARG 84 5.699 8.711 1.423 639 2HH1 ARG 84 2HH1 ARG 84 4.580 9.832 2.123 640 1HH2 ARG 84 1HH2 ARG 84 4.321 8.123 5.162 641 2HH2 ARG 84 2HH2 ARG 84 3.798 9.498 4.248 642 H VAL 85 H VAL 85 8.403 3.501 1.271 643 HA VAL 85 HA VAL 85 8.602 0.706 1.752 644 HB VAL 85 HB VAL 85 8.679 0.581 -0.787 645 1HG1 VAL 85 1HG1 VAL 85 6.314 1.147 -1.009 646 2HG1 VAL 85 2HG1 VAL 85 6.385 2.058 0.500 647 3HG1 VAL 85 3HG1 VAL 85 6.624 0.311 0.512 648 1HG2 VAL 85 1HG2 VAL 85 9.612 2.724 -1.302 649 2HG2 VAL 85 2HG2 VAL 85 8.305 3.552 -0.455 650 3HG2 VAL 85 3HG2 VAL 85 7.971 2.671 -1.946 651 H ARG 86 H ARG 86 10.871 3.171 1.003 652 HA ARG 86 HA ARG 86 12.847 1.712 -0.331 653 1HB ARG 86 1HB ARG 86 12.903 4.131 -0.192 654 2HB ARG 86 2HB ARG 86 13.103 4.052 1.551 655 1HG ARG 86 1HG ARG 86 15.302 3.273 1.381 656 2HG ARG 86 2HG ARG 86 15.096 2.811 -0.311 657 1HD ARG 86 1HD ARG 86 14.867 5.184 -0.907 658 2HD ARG 86 2HD ARG 86 15.138 5.621 0.780 659 HE ARG 86 HE ARG 86 17.184 4.101 -0.674 660 1HH1 ARG 86 1HH1 ARG 86 16.164 7.006 0.961 661 2HH1 ARG 86 2HH1 ARG 86 17.760 7.672 1.045 662 1HH2 ARG 86 1HH2 ARG 86 19.287 4.974 -0.571 663 2HH2 ARG 86 2HH2 ARG 86 19.534 6.519 0.172 664 H ALA 87 H ALA 87 12.083 1.986 3.083 665 HA ALA 87 HA ALA 87 14.437 0.737 4.056 666 1HB ALA 87 1HB ALA 87 13.198 0.513 6.160 667 2HB ALA 87 2HB ALA 87 11.712 0.984 5.334 668 3HB ALA 87 3HB ALA 87 13.040 2.135 5.485 669 H ALA 88 H ALA 88 11.401 -0.400 2.804 670 HA ALA 88 HA ALA 88 11.601 -3.071 3.769 671 1HB ALA 88 1HB ALA 88 10.013 -1.965 1.455 672 2HB ALA 88 2HB ALA 88 9.458 -2.115 3.122 673 3HB ALA 88 3HB ALA 88 9.806 -3.561 2.175 674 H MET 89 H MET 89 12.661 -1.404 0.854 675 HA MET 89 HA MET 89 13.389 -3.732 -0.601 676 1HB MET 89 1HB MET 89 14.783 -1.106 -0.973 677 2HB MET 89 2HB MET 89 14.363 -2.311 -2.172 678 1HG MET 89 1HG MET 89 12.671 -0.213 -0.932 679 2HG MET 89 2HG MET 89 12.904 -0.633 -2.627 680 1HE MET 89 1HE MET 89 12.329 -3.733 -2.867 681 2HE MET 89 2HE MET 89 11.714 -2.437 -3.893 682 3HE MET 89 3HE MET 89 10.603 -3.627 -3.215 683 H GLU 90 H GLU 90 15.300 -1.385 1.262 684 HA GLU 90 HA GLU 90 17.781 -2.604 1.018 685 1HB GLU 90 1HB GLU 90 16.677 -1.111 3.408 686 2HB GLU 90 2HB GLU 90 18.380 -1.432 3.104 687 1HG GLU 90 1HG GLU 90 18.381 -0.019 1.187 688 2HG GLU 90 2HG GLU 90 16.627 0.155 1.247 689 H LYS 91 H LYS 91 15.099 -3.285 3.175 690 HA LYS 91 HA LYS 91 16.523 -5.248 4.716 691 1HB LYS 91 1HB LYS 91 14.184 -3.812 5.055 692 2HB LYS 91 2HB LYS 91 13.601 -5.438 4.731 693 1HG LYS 91 1HG LYS 91 15.631 -4.757 6.844 694 2HG LYS 91 2HG LYS 91 13.899 -4.918 7.136 695 1HD LYS 91 1HD LYS 91 13.951 -7.231 6.462 696 2HD LYS 91 2HD LYS 91 15.645 -7.091 5.985 697 1HE LYS 91 1HE LYS 91 14.578 -6.737 8.782 698 2HE LYS 91 2HE LYS 91 15.378 -8.184 8.172 699 1HZ LYS 91 1HZ LYS 91 17.371 -6.878 7.787 700 2HZ LYS 91 2HZ LYS 91 16.904 -6.778 9.409 701 3HZ LYS 91 3HZ LYS 91 16.603 -5.485 8.363 702 H LEU 92 H LEU 92 14.680 -5.213 1.779 703 HA LEU 92 HA LEU 92 14.312 -8.084 1.764 704 1HB LEU 92 1HB LEU 92 12.505 -7.237 0.709 705 2HB LEU 92 2HB LEU 92 13.336 -5.767 0.246 706 HG LEU 92 HG LEU 92 14.451 -7.094 -1.578 707 1HD1 LEU 92 1HD1 LEU 92 12.269 -9.101 -1.055 708 2HD1 LEU 92 2HD1 LEU 92 13.924 -9.317 -0.487 709 3HD1 LEU 92 3HD1 LEU 92 13.592 -9.207 -2.216 710 1HD2 LEU 92 1HD2 LEU 92 11.440 -6.941 -1.686 711 2HD2 LEU 92 2HD2 LEU 92 12.545 -6.931 -3.058 712 3HD2 LEU 92 3HD2 LEU 92 12.529 -5.577 -1.929 713 H ALA 93 H ALA 93 16.597 -5.754 0.702 714 HA ALA 93 HA ALA 93 17.749 -7.283 -1.423 715 1HB ALA 93 1HB ALA 93 17.974 -4.870 -1.394 716 2HB ALA 93 2HB ALA 93 19.566 -5.625 -1.325 717 3HB ALA 93 3HB ALA 93 18.849 -4.944 0.135 718 H GLU 94 H GLU 94 18.004 -7.268 1.998 719 HA GLU 94 HA GLU 94 20.603 -8.507 2.127 720 1HB GLU 94 1HB GLU 94 19.319 -7.027 3.902 721 2HB GLU 94 2HB GLU 94 18.662 -8.579 4.400 722 1HG GLU 94 1HG GLU 94 21.607 -8.020 4.174 723 2HG GLU 94 2HG GLU 94 20.680 -7.802 5.658 724 H THR 95 H THR 95 17.315 -9.510 1.828 725 HA THR 95 HA THR 95 18.151 -12.328 2.080 726 HB THR 95 HB THR 95 15.860 -12.888 2.775 727 HG1 THR 95 HG1 THR 95 15.256 -10.188 3.239 728 1HG2 THR 95 1HG2 THR 95 17.450 -12.503 4.546 729 2HG2 THR 95 2HG2 THR 95 15.894 -11.824 5.025 730 3HG2 THR 95 3HG2 THR 95 17.185 -10.762 4.461 731 H GLY 96 H GLY 96 17.818 -10.176 -0.086 732 1HA GLY 96 1HA GLY 96 15.707 -10.868 -1.787 733 2HA GLY 96 2HA GLY 96 17.195 -10.076 -2.277 734 H THR 97 H THR 97 15.335 -12.500 -3.045 735 HA THR 97 HA THR 97 17.569 -14.084 -4.091 736 HB THR 97 HB THR 97 16.868 -15.363 -2.184 737 HG1 THR 97 HG1 THR 97 17.069 -16.381 -4.418 738 1HG2 THR 97 1HG2 THR 97 14.063 -15.197 -3.291 739 2HG2 THR 97 2HG2 THR 97 14.658 -14.354 -1.861 740 3HG2 THR 97 3HG2 THR 97 14.563 -16.115 -1.871 741 H GLY 98 H GLY 98 17.367 -14.544 -6.187 742 1HA GLY 98 1HA GLY 98 16.471 -14.779 -8.285 743 2HA GLY 98 2HA GLY 98 14.953 -15.180 -7.497 744 H PHE 99 H PHE 99 13.316 -13.807 -7.695 745 HA PHE 99 HA PHE 99 13.714 -11.372 -9.212 746 1HB PHE 99 1HB PHE 99 11.874 -12.674 -9.923 747 2HB PHE 99 2HB PHE 99 11.290 -12.897 -8.280 748 HD1 PHE 99 HD1 PHE 99 9.710 -11.449 -7.363 749 HD2 PHE 99 HD2 PHE 99 11.731 -10.362 -10.949 750 HE1 PHE 99 HE1 PHE 99 8.173 -9.550 -7.649 751 HE2 PHE 99 HE2 PHE 99 10.196 -8.459 -11.239 752 HZ PHE 99 HZ PHE 99 8.416 -8.053 -9.587 753 H ALA 100 H ALA 100 12.613 -12.302 -5.987 754 HA ALA 100 HA ALA 100 11.624 -9.946 -5.004 755 1HB ALA 100 1HB ALA 100 13.325 -11.973 -3.563 756 2HB ALA 100 2HB ALA 100 11.569 -11.986 -3.727 757 3HB ALA 100 3HB ALA 100 12.356 -10.725 -2.779 758 H ARG 101 H ARG 101 15.025 -10.830 -5.380 759 HA ARG 101 HA ARG 101 16.031 -8.550 -3.980 760 1HB ARG 101 1HB ARG 101 17.290 -10.670 -4.265 761 2HB ARG 101 2HB ARG 101 17.425 -10.315 -5.979 762 1HG ARG 101 1HG ARG 101 18.989 -8.692 -5.669 763 2HG ARG 101 2HG ARG 101 18.384 -8.261 -4.068 764 1HD ARG 101 1HD ARG 101 19.354 -10.253 -3.120 765 2HD ARG 101 2HD ARG 101 19.859 -10.809 -4.715 766 HE ARG 101 HE ARG 101 20.983 -8.283 -4.235 767 1HH1 ARG 101 1HH1 ARG 101 21.228 -11.575 -3.116 768 2HH1 ARG 101 2HH1 ARG 101 22.894 -11.434 -2.663 769 1HH2 ARG 101 1HH2 ARG 101 23.178 -8.088 -3.640 770 2HH2 ARG 101 2HH2 ARG 101 24.002 -9.453 -2.961 771 H LYS 102 H LYS 102 16.049 -9.422 -7.439 772 HA LYS 102 HA LYS 102 17.124 -7.161 -8.535 773 1HB LYS 102 1HB LYS 102 16.447 -9.207 -9.781 774 2HB LYS 102 2HB LYS 102 14.772 -8.692 -9.663 775 1HG LYS 102 1HG LYS 102 15.145 -7.799 -11.678 776 2HG LYS 102 2HG LYS 102 15.903 -6.494 -10.766 777 1HD LYS 102 1HD LYS 102 17.384 -8.902 -11.815 778 2HD LYS 102 2HD LYS 102 17.271 -7.364 -12.672 779 1HE LYS 102 1HE LYS 102 18.353 -6.238 -10.790 780 2HE LYS 102 2HE LYS 102 18.460 -7.771 -9.929 781 1HZ LYS 102 1HZ LYS 102 20.548 -7.302 -10.971 782 2HZ LYS 102 2HZ LYS 102 19.814 -7.073 -12.477 783 3HZ LYS 102 3HZ LYS 102 19.838 -8.611 -11.774 784 H VAL 103 H VAL 103 14.115 -7.488 -6.956 785 HA VAL 103 HA VAL 103 12.793 -5.225 -8.079 786 HB VAL 103 HB VAL 103 12.318 -6.929 -5.646 787 1HG1 VAL 103 1HG1 VAL 103 10.086 -5.724 -5.521 788 2HG1 VAL 103 2HG1 VAL 103 10.808 -4.480 -6.543 789 3HG1 VAL 103 3HG1 VAL 103 11.491 -4.820 -4.953 790 1HG2 VAL 103 1HG2 VAL 103 10.285 -7.563 -6.932 791 2HG2 VAL 103 2HG2 VAL 103 11.797 -7.991 -7.730 792 3HG2 VAL 103 3HG2 VAL 103 10.881 -6.588 -8.274 793 H ALA 104 H ALA 104 14.141 -5.788 -4.817 794 HA ALA 104 HA ALA 104 13.852 -3.199 -3.845 795 1HB ALA 104 1HB ALA 104 15.852 -5.326 -3.120 796 2HB ALA 104 2HB ALA 104 14.284 -5.033 -2.373 797 3HB ALA 104 3HB ALA 104 15.580 -3.854 -2.189 798 H VAL 105 H VAL 105 16.595 -4.662 -5.477 799 HA VAL 105 HA VAL 105 18.422 -2.555 -5.126 800 HB VAL 105 HB VAL 105 18.361 -4.593 -7.350 801 1HG1 VAL 105 1HG1 VAL 105 19.853 -2.771 -7.874 802 2HG1 VAL 105 2HG1 VAL 105 20.796 -4.196 -7.439 803 3HG1 VAL 105 3HG1 VAL 105 20.600 -2.881 -6.280 804 1HG2 VAL 105 1HG2 VAL 105 19.972 -5.820 -5.899 805 2HG2 VAL 105 2HG2 VAL 105 18.333 -5.738 -5.257 806 3HG2 VAL 105 3HG2 VAL 105 19.589 -4.686 -4.603 807 H ASN 106 H ASN 106 16.793 -3.499 -8.148 808 HA ASN 106 HA ASN 106 17.557 -1.238 -9.593 809 1HB ASN 106 1HB ASN 106 15.323 -3.214 -9.972 810 2HB ASN 106 2HB ASN 106 15.634 -1.914 -11.114 811 1HD2 ASN 106 1HD2 ASN 106 15.813 -4.829 -11.418 812 2HD2 ASN 106 2HD2 ASN 106 17.422 -5.142 -11.964 813 H TYR 107 H TYR 107 14.683 -1.764 -7.588 814 HA TYR 107 HA TYR 107 13.191 0.408 -8.539 815 1HB TYR 107 1HB TYR 107 11.996 -1.156 -7.280 816 2HB TYR 107 2HB TYR 107 13.196 -1.175 -5.993 817 HD1 TYR 107 HD1 TYR 107 12.793 -0.036 -4.095 818 HD2 TYR 107 HD2 TYR 107 10.785 1.173 -7.623 819 HE1 TYR 107 HE1 TYR 107 11.530 1.623 -2.788 820 HE2 TYR 107 HE2 TYR 107 9.508 2.836 -6.344 821 HH TYR 107 HH TYR 107 8.796 3.190 -3.976 822 H LEU 108 H LEU 108 15.779 0.157 -6.215 823 HA LEU 108 HA LEU 108 15.515 2.534 -4.823 824 1HB LEU 108 1HB LEU 108 17.891 0.901 -5.638 825 2HB LEU 108 2HB LEU 108 18.103 2.402 -4.767 826 HG LEU 108 HG LEU 108 16.433 0.108 -3.752 827 1HD1 LEU 108 1HD1 LEU 108 18.750 -0.597 -3.933 828 2HD1 LEU 108 2HD1 LEU 108 18.309 -0.360 -2.243 829 3HD1 LEU 108 3HD1 LEU 108 19.276 0.854 -3.081 830 1HD2 LEU 108 1HD2 LEU 108 15.805 2.261 -2.832 831 2HD2 LEU 108 2HD2 LEU 108 17.486 2.600 -2.423 832 3HD2 LEU 108 3HD2 LEU 108 16.628 1.293 -1.609 833 H GLU 109 H GLU 109 16.247 2.080 -8.128 834 HA GLU 109 HA GLU 109 17.725 4.477 -8.565 835 1HB GLU 109 1HB GLU 109 16.150 2.740 -10.472 836 2HB GLU 109 2HB GLU 109 17.189 4.069 -10.966 837 1HG GLU 109 1HG GLU 109 19.111 2.918 -9.966 838 2HG GLU 109 2HG GLU 109 18.060 1.574 -9.525 839 H THR 110 H THR 110 14.673 4.147 -7.507 840 HA THR 110 HA THR 110 13.692 6.500 -8.981 841 HB THR 110 HB THR 110 11.989 4.507 -7.478 842 HG1 THR 110 HG1 THR 110 13.054 4.455 -10.043 843 1HG2 THR 110 1HG2 THR 110 10.170 5.515 -8.811 844 2HG2 THR 110 2HG2 THR 110 11.323 6.679 -9.466 845 3HG2 THR 110 3HG2 THR 110 10.950 6.681 -7.743 846 H HIS 111 H HIS 111 12.600 5.078 -5.926 847 HA HIS 111 HA HIS 111 12.971 7.704 -4.662 848 1HB HIS 111 1HB HIS 111 11.195 5.390 -3.860 849 2HB HIS 111 2HB HIS 111 11.323 6.915 -2.989 850 HD1 HIS 111 HD1 HIS 111 9.532 5.288 -5.720 851 HD2 HIS 111 HD2 HIS 111 10.337 9.186 -4.529 852 HE1 HIS 111 HE1 HIS 111 7.882 6.724 -6.961 853 HE2 HIS 111 HE2 HIS 111 8.448 9.087 -6.292 Start of MODEL 13 1 H MET 1 H MET 1 -16.631 7.480 -6.031 2 HA MET 1 HA MET 1 -17.113 9.326 -4.590 3 1HB MET 1 1HB MET 1 -15.796 9.634 -6.709 4 2HB MET 1 2HB MET 1 -17.277 10.182 -7.485 5 1HG MET 1 1HG MET 1 -15.925 12.066 -6.816 6 2HG MET 1 2HG MET 1 -17.427 12.031 -5.896 7 1HE MET 1 1HE MET 1 -15.061 13.835 -5.083 8 2HE MET 1 2HE MET 1 -14.814 13.522 -3.366 9 3HE MET 1 3HE MET 1 -16.449 13.709 -4.000 10 H ALA 2 H ALA 2 -18.580 10.647 -3.685 11 HA ALA 2 HA ALA 2 -20.973 11.434 -5.113 12 1HB ALA 2 1HB ALA 2 -21.597 9.231 -4.262 13 2HB ALA 2 2HB ALA 2 -22.525 10.506 -3.474 14 3HB ALA 2 3HB ALA 2 -21.182 9.741 -2.626 15 H ASP 3 H ASP 3 -19.954 11.164 -1.697 16 HA ASP 3 HA ASP 3 -20.329 14.079 -1.476 17 1HB ASP 3 1HB ASP 3 -20.716 11.999 0.686 18 2HB ASP 3 2HB ASP 3 -20.957 13.735 0.864 19 H GLU 4 H GLU 4 -18.927 11.821 0.855 20 HA GLU 4 HA GLU 4 -16.226 12.640 0.297 21 1HB GLU 4 1HB GLU 4 -17.260 14.537 1.651 22 2HB GLU 4 2HB GLU 4 -17.352 13.402 2.991 23 1HG GLU 4 1HG GLU 4 -14.916 13.105 2.883 24 2HG GLU 4 2HG GLU 4 -14.846 14.292 1.581 25 H ASN 5 H ASN 5 -17.261 10.152 0.200 26 HA ASN 5 HA ASN 5 -16.946 8.014 0.902 27 1HB ASN 5 1HB ASN 5 -14.579 8.850 1.074 28 2HB ASN 5 2HB ASN 5 -14.876 9.162 2.782 29 1HD2 ASN 5 1HD2 ASN 5 -13.309 7.706 3.434 30 2HD2 ASN 5 2HD2 ASN 5 -13.526 5.996 3.311 31 H LYS 6 H LYS 6 -18.501 10.177 2.586 32 HA LYS 6 HA LYS 6 -18.595 9.179 5.232 33 1HB LYS 6 1HB LYS 6 -19.381 11.444 4.474 34 2HB LYS 6 2HB LYS 6 -20.782 10.656 3.762 35 1HG LYS 6 1HG LYS 6 -21.429 9.831 5.980 36 2HG LYS 6 2HG LYS 6 -20.043 10.668 6.681 37 1HD LYS 6 1HD LYS 6 -22.108 12.125 5.057 38 2HD LYS 6 2HD LYS 6 -22.330 11.831 6.781 39 1HE LYS 6 1HE LYS 6 -21.383 14.022 6.468 40 2HE LYS 6 2HE LYS 6 -20.178 12.972 7.213 41 1HZ LYS 6 1HZ LYS 6 -19.428 14.458 5.314 42 2HZ LYS 6 2HZ LYS 6 -20.260 13.400 4.289 43 3HZ LYS 6 3HZ LYS 6 -18.980 12.829 5.236 44 H TRP 7 H TRP 7 -20.066 7.818 6.236 45 HA TRP 7 HA TRP 7 -21.560 6.129 6.491 46 1HB TRP 7 1HB TRP 7 -23.398 6.863 5.411 47 2HB TRP 7 2HB TRP 7 -22.488 7.398 4.009 48 HD1 TRP 7 HD1 TRP 7 -22.324 5.751 1.955 49 HE1 TRP 7 HE1 TRP 7 -23.582 3.588 1.344 50 HE3 TRP 7 HE3 TRP 7 -24.440 4.735 6.494 51 HZ2 TRP 7 HZ2 TRP 7 -25.251 1.704 2.620 52 HZ3 TRP 7 HZ3 TRP 7 -25.854 2.734 6.716 53 HH2 TRP 7 HH2 TRP 7 -26.251 1.251 4.817 54 H VAL 8 H VAL 8 -19.714 6.163 3.501 55 HA VAL 8 HA VAL 8 -18.631 4.566 2.317 56 HB VAL 8 HB VAL 8 -17.544 4.627 4.734 57 1HG1 VAL 8 1HG1 VAL 8 -17.314 2.398 5.692 58 2HG1 VAL 8 2HG1 VAL 8 -18.451 1.762 4.504 59 3HG1 VAL 8 3HG1 VAL 8 -18.995 2.928 5.709 60 1HG2 VAL 8 1HG2 VAL 8 -16.475 4.163 2.511 61 2HG2 VAL 8 2HG2 VAL 8 -16.787 2.451 2.800 62 3HG2 VAL 8 3HG2 VAL 8 -15.735 3.351 3.890 63 H ARG 9 H ARG 9 -18.289 2.094 2.070 64 HA ARG 9 HA ARG 9 -20.957 1.001 1.718 65 1HB ARG 9 1HB ARG 9 -18.289 -0.004 0.713 66 2HB ARG 9 2HB ARG 9 -19.867 -0.622 0.248 67 1HG ARG 9 1HG ARG 9 -19.073 2.236 -0.208 68 2HG ARG 9 2HG ARG 9 -18.718 0.956 -1.369 69 1HD ARG 9 1HD ARG 9 -21.492 1.462 -0.326 70 2HD ARG 9 2HD ARG 9 -20.849 2.297 -1.741 71 HE ARG 9 HE ARG 9 -20.637 -0.574 -1.862 72 1HH1 ARG 9 1HH1 ARG 9 -22.648 2.194 -2.525 73 2HH1 ARG 9 2HH1 ARG 9 -23.565 1.394 -3.758 74 1HH2 ARG 9 1HH2 ARG 9 -21.838 -1.633 -3.485 75 2HH2 ARG 9 2HH2 ARG 9 -23.107 -0.782 -4.301 76 H ARG 10 H ARG 10 -20.221 1.060 4.362 77 HA ARG 10 HA ARG 10 -18.987 -1.286 5.293 78 1HB ARG 10 1HB ARG 10 -19.597 0.837 6.611 79 2HB ARG 10 2HB ARG 10 -21.206 0.139 6.754 80 1HG ARG 10 1HG ARG 10 -20.248 -1.826 7.855 81 2HG ARG 10 2HG ARG 10 -18.644 -1.105 7.724 82 1HD ARG 10 1HD ARG 10 -19.431 0.805 9.082 83 2HD ARG 10 2HD ARG 10 -20.988 -0.003 9.269 84 HE ARG 10 HE ARG 10 -18.583 -1.411 10.153 85 1HH1 ARG 10 1HH1 ARG 10 -21.502 0.320 10.949 86 2HH1 ARG 10 2HH1 ARG 10 -21.522 -0.216 12.597 87 1HH2 ARG 10 1HH2 ARG 10 -18.603 -2.122 12.318 88 2HH2 ARG 10 2HH2 ARG 10 -19.872 -1.603 13.376 89 H ASP 11 H ASP 11 -19.640 -3.218 4.569 90 HA ASP 11 HA ASP 11 -20.938 -5.066 4.268 91 1HB ASP 11 1HB ASP 11 -21.772 -4.461 6.577 92 2HB ASP 11 2HB ASP 11 -23.096 -3.600 5.797 93 H VAL 12 H VAL 12 -21.158 -2.398 2.714 94 HA VAL 12 HA VAL 12 -23.739 -2.804 1.410 95 HB VAL 12 HB VAL 12 -21.735 -0.587 0.922 96 1HG1 VAL 12 1HG1 VAL 12 -23.624 0.560 -0.118 97 2HG1 VAL 12 2HG1 VAL 12 -24.652 -0.841 0.181 98 3HG1 VAL 12 3HG1 VAL 12 -23.288 -0.968 -0.931 99 1HG2 VAL 12 1HG2 VAL 12 -23.142 0.798 2.330 100 2HG2 VAL 12 2HG2 VAL 12 -22.546 -0.591 3.240 101 3HG2 VAL 12 3HG2 VAL 12 -24.208 -0.570 2.649 102 H SER 13 H SER 13 -23.029 -4.836 0.482 103 HA SER 13 HA SER 13 -22.459 -6.113 -1.300 104 1HB SER 13 1HB SER 13 -23.562 -4.405 -2.640 105 2HB SER 13 2HB SER 13 -22.083 -3.446 -2.675 106 HG SER 13 HG SER 13 -21.174 -4.858 -4.035 107 H THR 14 H THR 14 -20.711 -7.286 -1.344 108 HA THR 14 HA THR 14 -18.565 -7.994 -1.363 109 HB THR 14 HB THR 14 -17.004 -6.935 -2.831 110 HG1 THR 14 HG1 THR 14 -17.083 -4.791 -2.394 111 1HG2 THR 14 1HG2 THR 14 -18.731 -8.089 -3.997 112 2HG2 THR 14 2HG2 THR 14 -18.446 -6.577 -4.860 113 3HG2 THR 14 3HG2 THR 14 -19.849 -6.738 -3.804 114 H ALA 15 H ALA 15 -16.801 -8.025 -0.088 115 HA ALA 15 HA ALA 15 -16.581 -5.874 1.879 116 1HB ALA 15 1HB ALA 15 -16.895 -8.125 2.734 117 2HB ALA 15 2HB ALA 15 -15.327 -7.482 3.223 118 3HB ALA 15 3HB ALA 15 -15.428 -8.656 1.912 119 H LEU 16 H LEU 16 -14.208 -8.029 0.303 120 HA LEU 16 HA LEU 16 -12.144 -6.024 0.637 121 1HB LEU 16 1HB LEU 16 -11.828 -8.677 -0.733 122 2HB LEU 16 2HB LEU 16 -10.588 -7.689 0.019 123 HG LEU 16 HG LEU 16 -12.083 -8.155 2.182 124 1HD1 LEU 16 1HD1 LEU 16 -13.770 -9.466 1.053 125 2HD1 LEU 16 2HD1 LEU 16 -12.852 -10.494 2.149 126 3HD1 LEU 16 3HD1 LEU 16 -12.539 -10.554 0.415 127 1HD2 LEU 16 1HD2 LEU 16 -9.735 -8.619 2.053 128 2HD2 LEU 16 2HD2 LEU 16 -10.019 -9.988 0.978 129 3HD2 LEU 16 3HD2 LEU 16 -10.559 -10.058 2.655 130 H SER 17 H SER 17 -14.363 -6.773 -1.798 131 HA SER 17 HA SER 17 -13.047 -6.665 -4.178 132 1HB SER 17 1HB SER 17 -15.467 -6.889 -4.030 133 2HB SER 17 2HB SER 17 -15.609 -5.215 -3.494 134 HG SER 17 HG SER 17 -15.574 -4.644 -5.503 135 H ARG 18 H ARG 18 -14.082 -3.752 -2.356 136 HA ARG 18 HA ARG 18 -11.798 -2.254 -2.827 137 1HB ARG 18 1HB ARG 18 -12.569 -0.705 -4.625 138 2HB ARG 18 2HB ARG 18 -12.246 -2.338 -5.190 139 1HG ARG 18 1HG ARG 18 -14.603 -2.835 -5.244 140 2HG ARG 18 2HG ARG 18 -14.981 -1.260 -4.543 141 1HD ARG 18 1HD ARG 18 -15.354 -1.243 -6.947 142 2HD ARG 18 2HD ARG 18 -14.032 -0.160 -6.513 143 HE ARG 18 HE ARG 18 -13.247 -2.831 -7.310 144 1HH1 ARG 18 1HH1 ARG 18 -13.794 0.469 -8.284 145 2HH1 ARG 18 2HH1 ARG 18 -12.811 0.348 -9.706 146 1HH2 ARG 18 1HH2 ARG 18 -11.953 -3.001 -9.179 147 2HH2 ARG 18 2HH2 ARG 18 -11.766 -1.625 -10.215 148 H MET 19 H MET 19 -13.675 -2.569 -0.754 149 HA MET 19 HA MET 19 -15.417 -0.301 -0.641 150 1HB MET 19 1HB MET 19 -14.467 -2.017 1.654 151 2HB MET 19 2HB MET 19 -15.892 -0.991 1.619 152 1HG MET 19 1HG MET 19 -15.477 -3.397 -0.137 153 2HG MET 19 2HG MET 19 -16.382 -3.400 1.374 154 1HE MET 19 1HE MET 19 -16.390 -2.981 -2.316 155 2HE MET 19 2HE MET 19 -16.286 -1.237 -2.071 156 3HE MET 19 3HE MET 19 -17.764 -1.951 -2.714 157 H GLY 20 H GLY 20 -12.119 -0.593 -0.386 158 1HA GLY 20 1HA GLY 20 -10.476 0.878 0.245 159 2HA GLY 20 2HA GLY 20 -11.735 2.098 0.356 160 H ASP 21 H ASP 21 -12.325 2.822 2.310 161 HA ASP 21 HA ASP 21 -10.766 2.334 4.563 162 1HB ASP 21 1HB ASP 21 -12.106 4.373 4.241 163 2HB ASP 21 2HB ASP 21 -13.581 3.437 4.458 164 H GLU 22 H GLU 22 -13.845 0.913 3.583 165 HA GLU 22 HA GLU 22 -14.126 -0.564 6.042 166 1HB GLU 22 1HB GLU 22 -16.095 0.211 4.777 167 2HB GLU 22 2HB GLU 22 -15.638 -0.833 3.440 168 1HG GLU 22 1HG GLU 22 -17.429 -1.774 4.837 169 2HG GLU 22 2HG GLU 22 -15.994 -2.794 4.774 170 H ALA 23 H ALA 23 -12.496 -1.006 3.077 171 HA ALA 23 HA ALA 23 -12.373 -3.913 3.410 172 1HB ALA 23 1HB ALA 23 -11.235 -3.898 1.218 173 2HB ALA 23 2HB ALA 23 -11.375 -2.141 1.181 174 3HB ALA 23 3HB ALA 23 -12.827 -3.142 1.163 175 H PHE 24 H PHE 24 -10.800 -1.273 4.538 176 HA PHE 24 HA PHE 24 -8.081 -1.743 4.230 177 1HB PHE 24 1HB PHE 24 -9.369 0.198 5.391 178 2HB PHE 24 2HB PHE 24 -9.238 -0.802 6.833 179 HD1 PHE 24 HD1 PHE 24 -7.359 -0.658 8.154 180 HD2 PHE 24 HD2 PHE 24 -7.171 0.666 4.117 181 HE1 PHE 24 HE1 PHE 24 -5.093 0.199 8.544 182 HE2 PHE 24 HE2 PHE 24 -4.906 1.531 4.501 183 HZ PHE 24 HZ PHE 24 -3.860 1.302 6.718 184 H GLU 25 H GLU 25 -10.105 -2.717 6.986 185 HA GLU 25 HA GLU 25 -8.165 -4.388 8.136 186 1HB GLU 25 1HB GLU 25 -10.983 -3.782 8.568 187 2HB GLU 25 2HB GLU 25 -10.538 -5.432 8.965 188 1HG GLU 25 1HG GLU 25 -10.372 -4.013 10.919 189 2HG GLU 25 2HG GLU 25 -8.778 -4.603 10.449 190 HA PRO 26 HA PRO 26 -10.908 -8.090 6.131 191 1HB PRO 26 1HB PRO 26 -11.263 -6.529 3.599 192 2HB PRO 26 2HB PRO 26 -12.278 -7.807 4.279 193 1HG PRO 26 1HG PRO 26 -12.975 -5.242 4.500 194 2HG PRO 26 2HG PRO 26 -13.262 -6.388 5.822 195 1HD PRO 26 1HD PRO 26 -11.264 -4.209 5.612 196 2HD PRO 26 2HD PRO 26 -12.007 -4.928 7.052 197 H LEU 27 H LEU 27 -8.855 -5.774 4.515 198 HA LEU 27 HA LEU 27 -7.492 -7.565 2.801 199 1HB LEU 27 1HB LEU 27 -6.971 -4.834 3.904 200 2HB LEU 27 2HB LEU 27 -5.740 -5.645 2.944 201 HG LEU 27 HG LEU 27 -8.542 -5.109 1.956 202 1HD1 LEU 27 1HD1 LEU 27 -7.615 -3.250 0.708 203 2HD1 LEU 27 2HD1 LEU 27 -6.028 -3.535 1.423 204 3HD1 LEU 27 3HD1 LEU 27 -7.369 -3.007 2.437 205 1HD2 LEU 27 1HD2 LEU 27 -7.540 -5.533 -0.244 206 2HD2 LEU 27 2HD2 LEU 27 -7.421 -6.936 0.819 207 3HD2 LEU 27 3HD2 LEU 27 -6.007 -5.920 0.539 208 H LEU 28 H LEU 28 -6.428 -5.961 5.804 209 HA LEU 28 HA LEU 28 -4.097 -7.486 6.156 210 1HB LEU 28 1HB LEU 28 -4.191 -5.478 7.343 211 2HB LEU 28 2HB LEU 28 -5.803 -5.799 7.951 212 HG LEU 28 HG LEU 28 -4.879 -7.514 9.466 213 1HD1 LEU 28 1HD1 LEU 28 -2.415 -7.561 9.802 214 2HD1 LEU 28 2HD1 LEU 28 -2.238 -6.594 8.338 215 3HD1 LEU 28 3HD1 LEU 28 -2.930 -8.212 8.247 216 1HD2 LEU 28 1HD2 LEU 28 -3.504 -4.845 9.725 217 2HD2 LEU 28 2HD2 LEU 28 -3.860 -5.982 11.026 218 3HD2 LEU 28 3HD2 LEU 28 -5.177 -5.170 10.180 219 H GLU 29 H GLU 29 -7.403 -8.203 6.735 220 HA GLU 29 HA GLU 29 -6.974 -10.262 8.686 221 1HB GLU 29 1HB GLU 29 -9.100 -8.994 8.512 222 2HB GLU 29 2HB GLU 29 -9.391 -9.738 6.947 223 1HG GLU 29 1HG GLU 29 -9.395 -11.952 8.047 224 2HG GLU 29 2HG GLU 29 -9.229 -11.141 9.603 225 H SER 30 H SER 30 -7.049 -10.042 5.225 226 HA SER 30 HA SER 30 -7.530 -12.749 4.608 227 1HB SER 30 1HB SER 30 -6.058 -10.598 3.075 228 2HB SER 30 2HB SER 30 -6.455 -12.182 2.411 229 HG SER 30 HG SER 30 -8.707 -11.504 3.195 230 H LEU 31 H LEU 31 -4.713 -11.072 5.719 231 HA LEU 31 HA LEU 31 -2.740 -12.891 4.844 232 1HB LEU 31 1HB LEU 31 -2.729 -11.089 7.264 233 2HB LEU 31 2HB LEU 31 -1.322 -11.878 6.579 234 HG LEU 31 HG LEU 31 -2.994 -9.790 5.177 235 1HD1 LEU 31 1HD1 LEU 31 -1.744 -8.859 7.050 236 2HD1 LEU 31 2HD1 LEU 31 -1.068 -8.327 5.510 237 3HD1 LEU 31 3HD1 LEU 31 -0.263 -9.593 6.437 238 1HD2 LEU 31 1HD2 LEU 31 -1.927 -11.424 3.666 239 2HD2 LEU 31 2HD2 LEU 31 -0.364 -11.032 4.381 240 3HD2 LEU 31 3HD2 LEU 31 -1.260 -9.801 3.492 241 H SER 32 H SER 32 -5.148 -13.127 7.231 242 HA SER 32 HA SER 32 -3.729 -15.277 8.637 243 1HB SER 32 1HB SER 32 -6.291 -13.839 9.371 244 2HB SER 32 2HB SER 32 -5.490 -15.069 10.347 245 HG SER 32 HG SER 32 -4.215 -12.674 9.539 246 H ASN 33 H ASN 33 -5.215 -15.282 5.920 247 HA ASN 33 HA ASN 33 -7.236 -17.317 6.494 248 1HB ASN 33 1HB ASN 33 -6.560 -15.735 4.025 249 2HB ASN 33 2HB ASN 33 -7.623 -17.138 3.963 250 1HD2 ASN 33 1HD2 ASN 33 -8.333 -14.480 3.308 251 2HD2 ASN 33 2HD2 ASN 33 -9.563 -13.985 4.412 252 H GLU 34 H GLU 34 -7.165 -19.390 5.728 253 HA GLU 34 HA GLU 34 -4.607 -20.570 5.486 254 1HB GLU 34 1HB GLU 34 -6.721 -21.619 6.430 255 2HB GLU 34 2HB GLU 34 -7.236 -21.860 4.764 256 1HG GLU 34 1HG GLU 34 -5.317 -23.251 4.335 257 2HG GLU 34 2HG GLU 34 -4.707 -22.950 5.961 258 H ASP 35 H ASP 35 -6.690 -19.112 3.226 259 HA ASP 35 HA ASP 35 -5.728 -20.615 0.943 260 1HB ASP 35 1HB ASP 35 -8.065 -19.709 1.091 261 2HB ASP 35 2HB ASP 35 -7.390 -18.088 0.967 262 H TRP 36 H TRP 36 -4.710 -19.500 -0.908 263 HA TRP 36 HA TRP 36 -2.804 -17.471 0.041 264 1HB TRP 36 1HB TRP 36 -1.474 -18.289 -2.030 265 2HB TRP 36 2HB TRP 36 -1.511 -19.299 -0.589 266 HD1 TRP 36 HD1 TRP 36 -3.067 -19.104 -4.116 267 HE1 TRP 36 HE1 TRP 36 -3.792 -21.479 -4.798 268 HE3 TRP 36 HE3 TRP 36 -2.104 -21.552 0.272 269 HZ2 TRP 36 HZ2 TRP 36 -3.937 -24.038 -3.643 270 HZ3 TRP 36 HZ3 TRP 36 -2.566 -23.967 0.395 271 HH2 TRP 36 HH2 TRP 36 -3.465 -25.179 -1.524 272 H ARG 37 H ARG 37 -5.001 -18.305 -2.579 273 HA ARG 37 HA ARG 37 -4.381 -16.230 -4.340 274 1HB ARG 37 1HB ARG 37 -5.765 -18.114 -4.998 275 2HB ARG 37 2HB ARG 37 -7.010 -17.638 -3.851 276 1HG ARG 37 1HG ARG 37 -7.357 -15.565 -5.111 277 2HG ARG 37 2HG ARG 37 -6.140 -16.087 -6.277 278 1HD ARG 37 1HD ARG 37 -7.510 -18.088 -6.755 279 2HD ARG 37 2HD ARG 37 -8.744 -17.475 -5.653 280 HE ARG 37 HE ARG 37 -8.333 -15.455 -7.460 281 1HH1 ARG 37 1HH1 ARG 37 -9.261 -18.810 -7.639 282 2HH1 ARG 37 2HH1 ARG 37 -10.217 -18.602 -9.067 283 1HH2 ARG 37 1HH2 ARG 37 -9.591 -15.173 -9.341 284 2HH2 ARG 37 2HH2 ARG 37 -10.403 -16.536 -10.037 285 H ILE 38 H ILE 38 -6.343 -16.284 -1.444 286 HA ILE 38 HA ILE 38 -7.488 -13.679 -1.928 287 HB ILE 38 HB ILE 38 -7.525 -15.323 0.605 288 1HG1 ILE 38 1HG1 ILE 38 -9.613 -15.119 -1.577 289 2HG1 ILE 38 2HG1 ILE 38 -8.522 -16.483 -1.364 290 1HG2 ILE 38 1HG2 ILE 38 -9.271 -13.027 -0.280 291 2HG2 ILE 38 2HG2 ILE 38 -8.002 -12.943 0.943 292 3HG2 ILE 38 3HG2 ILE 38 -9.431 -13.938 1.223 293 1HD1 ILE 38 1HD1 ILE 38 -9.500 -16.834 0.888 294 2HD1 ILE 38 2HD1 ILE 38 -10.647 -17.041 -0.435 295 3HD1 ILE 38 3HD1 ILE 38 -10.669 -15.564 0.529 296 H ARG 39 H ARG 39 -4.915 -15.056 0.051 297 HA ARG 39 HA ARG 39 -4.382 -12.761 1.598 298 1HB ARG 39 1HB ARG 39 -3.587 -15.027 2.176 299 2HB ARG 39 2HB ARG 39 -2.482 -14.976 0.810 300 1HG ARG 39 1HG ARG 39 -1.368 -13.025 1.836 301 2HG ARG 39 2HG ARG 39 -2.427 -13.195 3.233 302 1HD ARG 39 1HD ARG 39 -0.571 -15.345 2.228 303 2HD ARG 39 2HD ARG 39 -0.183 -14.223 3.532 304 HE ARG 39 HE ARG 39 -2.520 -15.334 4.332 305 1HH1 ARG 39 1HH1 ARG 39 0.524 -16.656 3.269 306 2HH1 ARG 39 2HH1 ARG 39 0.394 -18.078 4.249 307 1HH2 ARG 39 1HH2 ARG 39 -2.692 -17.202 5.629 308 2HH2 ARG 39 2HH2 ARG 39 -1.431 -18.387 5.588 309 H GLY 40 H GLY 40 -2.910 -13.949 -1.417 310 1HA GLY 40 1HA GLY 40 -0.954 -11.963 -1.681 311 2HA GLY 40 2HA GLY 40 -1.653 -12.876 -3.009 312 H ALA 41 H ALA 41 -4.251 -12.053 -3.015 313 HA ALA 41 HA ALA 41 -4.186 -9.670 -4.426 314 1HB ALA 41 1HB ALA 41 -5.992 -11.402 -4.492 315 2HB ALA 41 2HB ALA 41 -6.566 -9.736 -4.425 316 3HB ALA 41 3HB ALA 41 -6.598 -10.738 -2.974 317 H ALA 42 H ALA 42 -4.472 -10.231 -1.001 318 HA ALA 42 HA ALA 42 -5.602 -7.816 -0.180 319 1HB ALA 42 1HB ALA 42 -5.268 -9.747 1.303 320 2HB ALA 42 2HB ALA 42 -4.623 -8.258 1.995 321 3HB ALA 42 3HB ALA 42 -3.530 -9.446 1.284 322 H ALA 43 H ALA 43 -2.133 -8.664 -0.341 323 HA ALA 43 HA ALA 43 -1.212 -6.054 0.219 324 1HB ALA 43 1HB ALA 43 0.963 -6.849 -0.522 325 2HB ALA 43 2HB ALA 43 0.211 -8.281 -1.226 326 3HB ALA 43 3HB ALA 43 0.179 -8.037 0.520 327 H TRP 44 H TRP 44 -2.218 -7.653 -2.698 328 HA TRP 44 HA TRP 44 -1.002 -6.106 -4.652 329 1HB TRP 44 1HB TRP 44 -3.292 -7.906 -4.483 330 2HB TRP 44 2HB TRP 44 -3.505 -6.657 -5.700 331 HD1 TRP 44 HD1 TRP 44 -1.193 -9.595 -4.811 332 HE1 TRP 44 HE1 TRP 44 0.069 -10.313 -6.937 333 HE3 TRP 44 HE3 TRP 44 -2.735 -5.880 -7.971 334 HZ2 TRP 44 HZ2 TRP 44 0.371 -9.428 -9.596 335 HZ3 TRP 44 HZ3 TRP 44 -1.916 -5.891 -10.291 336 HH2 TRP 44 HH2 TRP 44 -0.395 -7.630 -11.086 337 H ILE 45 H ILE 45 -4.008 -5.507 -2.871 338 HA ILE 45 HA ILE 45 -4.276 -2.897 -4.177 339 HB ILE 45 HB ILE 45 -6.206 -4.288 -2.312 340 1HG1 ILE 45 1HG1 ILE 45 -6.310 -4.028 -5.326 341 2HG1 ILE 45 2HG1 ILE 45 -5.828 -5.487 -4.469 342 1HG2 ILE 45 1HG2 ILE 45 -6.507 -1.893 -2.289 343 2HG2 ILE 45 2HG2 ILE 45 -7.825 -2.638 -3.193 344 3HG2 ILE 45 3HG2 ILE 45 -6.507 -1.843 -4.052 345 1HD1 ILE 45 1HD1 ILE 45 -8.524 -4.165 -4.261 346 2HD1 ILE 45 2HD1 ILE 45 -8.033 -5.675 -3.495 347 3HD1 ILE 45 3HD1 ILE 45 -8.145 -5.573 -5.252 348 H ILE 46 H ILE 46 -3.285 -4.334 -1.225 349 HA ILE 46 HA ILE 46 -3.871 -2.358 0.644 350 HB ILE 46 HB ILE 46 -2.574 -4.763 0.724 351 1HG1 ILE 46 1HG1 ILE 46 -2.153 -2.973 3.053 352 2HG1 ILE 46 2HG1 ILE 46 -3.811 -3.185 2.494 353 1HG2 ILE 46 1HG2 ILE 46 -0.452 -3.789 0.029 354 2HG2 ILE 46 2HG2 ILE 46 -0.363 -4.407 1.679 355 3HG2 ILE 46 3HG2 ILE 46 -0.512 -2.673 1.395 356 1HD1 ILE 46 1HD1 ILE 46 -3.709 -5.527 2.866 357 2HD1 ILE 46 2HD1 ILE 46 -3.082 -4.731 4.312 358 3HD1 ILE 46 3HD1 ILE 46 -1.970 -5.465 3.155 359 H GLY 47 H GLY 47 -1.211 -2.562 -1.665 360 1HA GLY 47 1HA GLY 47 0.397 -0.514 -0.611 361 2HA GLY 47 2HA GLY 47 0.399 -1.050 -2.281 362 H ASN 48 H ASN 48 -2.587 -0.311 -2.328 363 HA ASN 48 HA ASN 48 -2.218 2.266 -3.462 364 1HB ASN 48 1HB ASN 48 -4.683 0.651 -2.825 365 2HB ASN 48 2HB ASN 48 -4.760 2.239 -3.580 366 1HD2 ASN 48 1HD2 ASN 48 -3.764 -1.076 -3.967 367 2HD2 ASN 48 2HD2 ASN 48 -3.591 -1.030 -5.684 368 H PHE 49 H PHE 49 -2.949 1.209 -0.262 369 HA PHE 49 HA PHE 49 -4.207 3.679 0.536 370 1HB PHE 49 1HB PHE 49 -3.267 1.301 2.144 371 2HB PHE 49 2HB PHE 49 -4.149 2.671 2.812 372 HD1 PHE 49 HD1 PHE 49 -4.366 -0.212 0.533 373 HD2 PHE 49 HD2 PHE 49 -6.503 2.884 2.525 374 HE1 PHE 49 HE1 PHE 49 -6.490 -1.296 -0.068 375 HE2 PHE 49 HE2 PHE 49 -8.630 1.804 1.928 376 HZ PHE 49 HZ PHE 49 -8.626 -0.288 0.629 377 H GLN 50 H GLN 50 -0.975 2.363 0.555 378 HA GLN 50 HA GLN 50 1.040 3.224 1.183 379 1HB GLN 50 1HB GLN 50 -0.578 5.694 0.685 380 2HB GLN 50 2HB GLN 50 1.055 5.831 1.326 381 1HG GLN 50 1HG GLN 50 1.672 5.858 -0.811 382 2HG GLN 50 2HG GLN 50 1.430 4.113 -0.721 383 1HE2 GLN 50 1HE2 GLN 50 0.070 7.146 -1.770 384 2HE2 GLN 50 2HE2 GLN 50 -1.099 6.478 -2.852 385 H ASP 51 H ASP 51 -0.941 2.517 3.234 386 HA ASP 51 HA ASP 51 -0.191 4.328 5.419 387 1HB ASP 51 1HB ASP 51 -2.612 3.751 5.060 388 2HB ASP 51 2HB ASP 51 -2.220 2.087 5.487 389 H GLU 52 H GLU 52 0.472 3.412 7.481 390 HA GLU 52 HA GLU 52 2.622 1.653 7.278 391 1HB GLU 52 1HB GLU 52 2.461 1.517 9.783 392 2HB GLU 52 2HB GLU 52 2.507 3.152 9.137 393 1HG GLU 52 1HG GLU 52 0.075 3.307 9.379 394 2HG GLU 52 2HG GLU 52 0.048 1.680 10.059 395 H ARG 53 H ARG 53 -0.743 1.072 8.054 396 HA ARG 53 HA ARG 53 -0.545 -1.615 8.883 397 1HB ARG 53 1HB ARG 53 -2.515 -0.065 9.166 398 2HB ARG 53 2HB ARG 53 -2.855 -0.275 7.460 399 1HG ARG 53 1HG ARG 53 -2.801 -2.560 9.418 400 2HG ARG 53 2HG ARG 53 -4.253 -1.629 9.039 401 1HD ARG 53 1HD ARG 53 -2.700 -3.492 7.294 402 2HD ARG 53 2HD ARG 53 -4.426 -3.456 7.635 403 HE ARG 53 HE ARG 53 -3.396 -1.159 6.206 404 1HH1 ARG 53 1HH1 ARG 53 -4.868 -4.304 6.001 405 2HH1 ARG 53 2HH1 ARG 53 -5.511 -4.043 4.416 406 1HH2 ARG 53 1HH2 ARG 53 -4.233 -0.800 4.118 407 2HH2 ARG 53 2HH2 ARG 53 -5.147 -2.048 3.340 408 H ALA 54 H ALA 54 -0.479 -0.078 5.788 409 HA ALA 54 HA ALA 54 -0.922 -2.589 4.355 410 1HB ALA 54 1HB ALA 54 -1.103 -1.233 2.366 411 2HB ALA 54 2HB ALA 54 -0.595 0.200 3.260 412 3HB ALA 54 3HB ALA 54 -2.140 -0.567 3.629 413 H VAL 55 H VAL 55 1.573 -1.070 5.755 414 HA VAL 55 HA VAL 55 3.518 -1.472 3.636 415 HB VAL 55 HB VAL 55 3.612 -0.236 6.367 416 1HG1 VAL 55 1HG1 VAL 55 6.037 0.137 6.027 417 2HG1 VAL 55 2HG1 VAL 55 5.981 -0.996 4.676 418 3HG1 VAL 55 3HG1 VAL 55 5.610 -1.551 6.309 419 1HG2 VAL 55 1HG2 VAL 55 2.879 1.127 4.478 420 2HG2 VAL 55 2HG2 VAL 55 4.377 0.761 3.625 421 3HG2 VAL 55 3HG2 VAL 55 4.420 1.699 5.117 422 H GLU 56 H GLU 56 2.685 -2.812 6.803 423 HA GLU 56 HA GLU 56 4.883 -4.540 7.067 424 1HB GLU 56 1HB GLU 56 3.226 -3.916 8.868 425 2HB GLU 56 2HB GLU 56 2.122 -5.081 8.150 426 1HG GLU 56 1HG GLU 56 4.003 -6.781 8.443 427 2HG GLU 56 2HG GLU 56 4.752 -5.582 9.495 428 HA PRO 57 HA PRO 57 1.836 -7.953 5.139 429 1HB PRO 57 1HB PRO 57 0.531 -6.138 3.184 430 2HB PRO 57 2HB PRO 57 -0.126 -7.527 4.055 431 1HG PRO 57 1HG PRO 57 -0.765 -5.050 4.782 432 2HG PRO 57 2HG PRO 57 -0.482 -6.312 5.997 433 1HD PRO 57 1HD PRO 57 1.290 -4.064 5.145 434 2HD PRO 57 2HD PRO 57 1.040 -4.756 6.761 435 H LEU 58 H LEU 58 3.534 -5.343 3.651 436 HA LEU 58 HA LEU 58 4.038 -6.818 1.207 437 1HB LEU 58 1HB LEU 58 5.406 -4.280 2.055 438 2HB LEU 58 2HB LEU 58 5.165 -4.892 0.429 439 HG LEU 58 HG LEU 58 3.093 -3.684 2.254 440 1HD1 LEU 58 1HD1 LEU 58 4.183 -2.877 -0.436 441 2HD1 LEU 58 2HD1 LEU 58 4.463 -2.067 1.104 442 3HD1 LEU 58 3HD1 LEU 58 2.847 -2.084 0.399 443 1HD2 LEU 58 1HD2 LEU 58 1.924 -5.439 1.237 444 2HD2 LEU 58 2HD2 LEU 58 2.770 -5.232 -0.296 445 3HD2 LEU 58 3HD2 LEU 58 1.586 -4.034 0.226 446 H ILE 59 H ILE 59 5.629 -6.084 4.217 447 HA ILE 59 HA ILE 59 8.258 -6.764 3.507 448 HB ILE 59 HB ILE 59 7.000 -7.092 6.226 449 1HG1 ILE 59 1HG1 ILE 59 6.552 -4.843 5.398 450 2HG1 ILE 59 2HG1 ILE 59 7.775 -4.782 6.661 451 1HG2 ILE 59 1HG2 ILE 59 9.218 -6.838 7.094 452 2HG2 ILE 59 2HG2 ILE 59 9.860 -6.504 5.487 453 3HG2 ILE 59 3HG2 ILE 59 9.242 -8.110 5.872 454 1HD1 ILE 59 1HD1 ILE 59 8.369 -3.285 4.884 455 2HD1 ILE 59 2HD1 ILE 59 8.239 -4.581 3.696 456 3HD1 ILE 59 3HD1 ILE 59 9.512 -4.627 4.916 457 H LYS 60 H LYS 60 5.746 -8.727 5.107 458 HA LYS 60 HA LYS 60 7.354 -11.074 5.206 459 1HB LYS 60 1HB LYS 60 5.477 -10.610 6.751 460 2HB LYS 60 2HB LYS 60 4.354 -10.835 5.417 461 1HG LYS 60 1HG LYS 60 5.333 -13.157 5.166 462 2HG LYS 60 2HG LYS 60 6.117 -12.882 6.722 463 1HD LYS 60 1HD LYS 60 3.149 -12.675 6.237 464 2HD LYS 60 2HD LYS 60 3.959 -14.096 6.896 465 1HE LYS 60 1HE LYS 60 4.739 -12.791 8.798 466 2HE LYS 60 2HE LYS 60 3.989 -11.343 8.128 467 1HZ LYS 60 1HZ LYS 60 1.831 -12.386 8.357 468 2HZ LYS 60 2HZ LYS 60 2.623 -12.357 9.851 469 3HZ LYS 60 3HZ LYS 60 2.539 -13.796 8.966 470 H LEU 61 H LEU 61 4.751 -10.032 3.035 471 HA LEU 61 HA LEU 61 4.439 -12.403 1.618 472 1HB LEU 61 1HB LEU 61 3.369 -9.856 1.532 473 2HB LEU 61 2HB LEU 61 4.098 -10.058 -0.048 474 HG LEU 61 HG LEU 61 2.803 -12.108 -0.393 475 1HD1 LEU 61 1HD1 LEU 61 1.007 -12.702 1.165 476 2HD1 LEU 61 2HD1 LEU 61 1.562 -11.449 2.275 477 3HD1 LEU 61 3HD1 LEU 61 2.595 -12.833 1.920 478 1HD2 LEU 61 1HD2 LEU 61 1.923 -9.896 -1.075 479 2HD2 LEU 61 2HD2 LEU 61 1.040 -9.821 0.450 480 3HD2 LEU 61 3HD2 LEU 61 0.663 -11.080 -0.725 481 H LEU 62 H LEU 62 6.808 -9.826 1.109 482 HA LEU 62 HA LEU 62 7.685 -10.573 -1.431 483 1HB LEU 62 1HB LEU 62 9.122 -9.262 0.864 484 2HB LEU 62 2HB LEU 62 9.870 -9.504 -0.705 485 HG LEU 62 HG LEU 62 7.266 -8.034 -0.445 486 1HD1 LEU 62 1HD1 LEU 62 8.768 -6.885 1.045 487 2HD1 LEU 62 2HD1 LEU 62 8.597 -5.943 -0.434 488 3HD1 LEU 62 3HD1 LEU 62 10.049 -6.906 -0.166 489 1HD2 LEU 62 1HD2 LEU 62 8.040 -6.998 -2.535 490 2HD2 LEU 62 2HD2 LEU 62 7.913 -8.752 -2.671 491 3HD2 LEU 62 3HD2 LEU 62 9.494 -7.995 -2.479 492 H GLU 63 H GLU 63 7.935 -12.323 1.455 493 HA GLU 63 HA GLU 63 10.176 -13.893 0.379 494 1HB GLU 63 1HB GLU 63 9.919 -12.746 2.869 495 2HB GLU 63 2HB GLU 63 9.439 -14.415 3.158 496 1HG GLU 63 1HG GLU 63 11.520 -15.213 2.252 497 2HG GLU 63 2HG GLU 63 11.989 -13.572 1.816 498 H ASP 64 H ASP 64 6.883 -13.933 0.618 499 HA ASP 64 HA ASP 64 6.305 -16.535 1.481 500 1HB ASP 64 1HB ASP 64 4.873 -14.550 -0.232 501 2HB ASP 64 2HB ASP 64 4.256 -16.195 -0.124 502 H ASP 65 H ASP 65 7.353 -15.287 -1.556 503 HA ASP 65 HA ASP 65 7.910 -16.242 -3.552 504 1HB ASP 65 1HB ASP 65 9.620 -17.177 -1.950 505 2HB ASP 65 2HB ASP 65 8.638 -18.635 -1.860 506 H SER 66 H SER 66 5.141 -16.703 -2.558 507 HA SER 66 HA SER 66 4.448 -19.351 -3.489 508 1HB SER 66 1HB SER 66 3.199 -18.311 -1.629 509 2HB SER 66 2HB SER 66 2.659 -17.033 -2.715 510 HG SER 66 HG SER 66 1.345 -19.132 -2.285 511 H GLY 67 H GLY 67 4.893 -16.264 -4.839 512 1HA GLY 67 1HA GLY 67 5.070 -16.316 -7.310 513 2HA GLY 67 2HA GLY 67 3.493 -17.097 -7.311 514 H PHE 68 H PHE 68 1.793 -15.784 -7.686 515 HA PHE 68 HA PHE 68 2.066 -13.048 -8.120 516 1HB PHE 68 1HB PHE 68 -0.098 -13.137 -8.760 517 2HB PHE 68 2HB PHE 68 0.034 -14.867 -8.478 518 HD1 PHE 68 HD1 PHE 68 -1.004 -15.897 -6.564 519 HD2 PHE 68 HD2 PHE 68 -1.249 -11.685 -7.169 520 HE1 PHE 68 HE1 PHE 68 -2.797 -15.762 -4.892 521 HE2 PHE 68 HE2 PHE 68 -3.045 -11.550 -5.497 522 HZ PHE 68 HZ PHE 68 -3.819 -13.589 -4.355 523 H VAL 69 H VAL 69 1.540 -14.861 -5.230 524 HA VAL 69 HA VAL 69 0.649 -12.791 -3.534 525 HB VAL 69 HB VAL 69 2.307 -15.196 -2.763 526 1HG1 VAL 69 1HG1 VAL 69 1.099 -14.959 -0.603 527 2HG1 VAL 69 2HG1 VAL 69 0.441 -13.431 -1.192 528 3HG1 VAL 69 3HG1 VAL 69 2.181 -13.618 -0.971 529 1HG2 VAL 69 1HG2 VAL 69 0.389 -15.932 -4.041 530 2HG2 VAL 69 2HG2 VAL 69 -0.683 -14.941 -3.053 531 3HG2 VAL 69 3HG2 VAL 69 0.153 -16.318 -2.337 532 H ARG 70 H ARG 70 3.827 -13.953 -4.491 533 HA ARG 70 HA ARG 70 5.274 -12.220 -2.748 534 1HB ARG 70 1HB ARG 70 6.188 -14.361 -3.612 535 2HB ARG 70 2HB ARG 70 6.248 -13.651 -5.220 536 1HG ARG 70 1HG ARG 70 7.787 -11.916 -4.336 537 2HG ARG 70 2HG ARG 70 7.803 -12.777 -2.797 538 1HD ARG 70 1HD ARG 70 9.738 -13.301 -4.272 539 2HD ARG 70 2HD ARG 70 8.782 -14.709 -3.811 540 HE ARG 70 HE ARG 70 7.764 -13.831 -6.226 541 1HH1 ARG 70 1HH1 ARG 70 10.814 -15.011 -5.023 542 2HH1 ARG 70 2HH1 ARG 70 11.280 -15.721 -6.531 543 1HH2 ARG 70 1HH2 ARG 70 8.370 -14.765 -8.216 544 2HH2 ARG 70 2HH2 ARG 70 9.894 -15.579 -8.346 545 H SER 71 H SER 71 4.312 -12.143 -6.133 546 HA SER 71 HA SER 71 5.742 -9.832 -6.876 547 1HB SER 71 1HB SER 71 3.193 -10.977 -8.036 548 2HB SER 71 2HB SER 71 4.203 -9.755 -8.808 549 HG SER 71 HG SER 71 4.461 -12.378 -8.929 550 H GLY 72 H GLY 72 2.606 -10.306 -5.379 551 1HA GLY 72 1HA GLY 72 1.446 -7.817 -5.773 552 2HA GLY 72 2HA GLY 72 1.180 -8.826 -4.359 553 H ALA 73 H ALA 73 3.265 -8.795 -2.869 554 HA ALA 73 HA ALA 73 3.402 -6.276 -1.700 555 1HB ALA 73 1HB ALA 73 5.239 -8.649 -1.485 556 2HB ALA 73 2HB ALA 73 3.937 -8.179 -0.390 557 3HB ALA 73 3HB ALA 73 5.403 -7.204 -0.490 558 H ALA 74 H ALA 74 5.356 -7.721 -4.211 559 HA ALA 74 HA ALA 74 7.555 -5.987 -4.124 560 1HB ALA 74 1HB ALA 74 7.532 -8.102 -5.368 561 2HB ALA 74 2HB ALA 74 8.037 -6.747 -6.378 562 3HB ALA 74 3HB ALA 74 6.405 -7.399 -6.528 563 H ARG 75 H ARG 75 4.765 -5.896 -6.360 564 HA ARG 75 HA ARG 75 5.444 -3.379 -7.460 565 1HB ARG 75 1HB ARG 75 3.102 -3.429 -8.366 566 2HB ARG 75 2HB ARG 75 4.086 -4.830 -8.763 567 1HG ARG 75 1HG ARG 75 2.914 -6.221 -7.316 568 2HG ARG 75 2HG ARG 75 2.244 -4.866 -6.405 569 1HD ARG 75 1HD ARG 75 0.619 -6.025 -7.918 570 2HD ARG 75 2HD ARG 75 0.777 -4.290 -8.188 571 HE ARG 75 HE ARG 75 2.300 -6.155 -9.863 572 1HH1 ARG 75 1HH1 ARG 75 -0.214 -3.766 -9.518 573 2HH1 ARG 75 2HH1 ARG 75 -0.391 -3.519 -11.223 574 1HH2 ARG 75 1HH2 ARG 75 2.067 -5.838 -12.112 575 2HH2 ARG 75 2HH2 ARG 75 0.903 -4.698 -12.697 576 H SER 76 H SER 76 3.306 -4.316 -4.812 577 HA SER 76 HA SER 76 1.905 -1.957 -4.445 578 1HB SER 76 1HB SER 76 1.722 -2.643 -2.053 579 2HB SER 76 2HB SER 76 1.353 -3.947 -3.182 580 HG SER 76 HG SER 76 3.993 -3.701 -2.347 581 H LEU 77 H LEU 77 5.147 -2.807 -3.324 582 HA LEU 77 HA LEU 77 5.544 -0.474 -1.766 583 1HB LEU 77 1HB LEU 77 7.380 -2.511 -2.977 584 2HB LEU 77 2HB LEU 77 8.028 -1.089 -2.184 585 HG LEU 77 HG LEU 77 6.211 -3.102 -0.861 586 1HD1 LEU 77 1HD1 LEU 77 8.203 -3.872 0.297 587 2HD1 LEU 77 2HD1 LEU 77 9.192 -2.735 -0.622 588 3HD1 LEU 77 3HD1 LEU 77 8.381 -4.067 -1.446 589 1HD2 LEU 77 1HD2 LEU 77 7.796 -0.784 0.244 590 2HD2 LEU 77 2HD2 LEU 77 6.917 -1.971 1.208 591 3HD2 LEU 77 3HD2 LEU 77 6.039 -0.889 0.124 592 H GLU 78 H GLU 78 6.955 -1.341 -4.937 593 HA GLU 78 HA GLU 78 8.031 1.118 -5.573 594 1HB GLU 78 1HB GLU 78 6.716 -0.716 -7.579 595 2HB GLU 78 2HB GLU 78 8.043 0.402 -7.864 596 1HG GLU 78 1HG GLU 78 9.459 -0.954 -6.366 597 2HG GLU 78 2HG GLU 78 8.133 -2.102 -6.199 598 H GLN 79 H GLN 79 4.743 0.096 -5.552 599 HA GLN 79 HA GLN 79 3.640 2.104 -7.228 600 1HB GLN 79 1HB GLN 79 2.311 0.184 -6.832 601 2HB GLN 79 2HB GLN 79 2.507 0.307 -5.093 602 1HG GLN 79 1HG GLN 79 1.176 2.438 -5.206 603 2HG GLN 79 2HG GLN 79 0.828 2.031 -6.886 604 1HE2 GLN 79 1HE2 GLN 79 1.175 -0.361 -4.378 605 2HE2 GLN 79 2HE2 GLN 79 -0.481 -0.849 -4.332 606 H ILE 80 H ILE 80 4.197 1.834 -3.756 607 HA ILE 80 HA ILE 80 2.952 4.224 -2.965 608 HB ILE 80 HB ILE 80 5.269 2.753 -1.698 609 1HG1 ILE 80 1HG1 ILE 80 2.335 2.689 -0.974 610 2HG1 ILE 80 2HG1 ILE 80 3.109 1.490 -2.000 611 1HG2 ILE 80 1HG2 ILE 80 4.537 3.928 0.382 612 2HG2 ILE 80 2HG2 ILE 80 3.496 4.938 -0.620 613 3HG2 ILE 80 3HG2 ILE 80 5.244 4.983 -0.842 614 1HD1 ILE 80 1HD1 ILE 80 3.758 2.071 0.878 615 2HD1 ILE 80 2HD1 ILE 80 4.619 0.920 -0.143 616 3HD1 ILE 80 3HD1 ILE 80 2.920 0.655 0.246 617 H GLY 81 H GLY 81 6.410 3.530 -3.515 618 1HA GLY 81 1HA GLY 81 8.131 4.882 -4.205 619 2HA GLY 81 2HA GLY 81 6.918 5.982 -4.838 620 H GLY 82 H GLY 82 9.436 5.768 -2.769 621 1HA GLY 82 1HA GLY 82 9.514 8.220 -1.742 622 2HA GLY 82 2HA GLY 82 8.341 7.467 -0.671 623 H GLU 83 H GLU 83 10.334 8.333 0.685 624 HA GLU 83 HA GLU 83 12.669 6.743 0.775 625 1HB GLU 83 1HB GLU 83 12.558 9.005 1.725 626 2HB GLU 83 2HB GLU 83 11.419 8.443 2.939 627 1HG GLU 83 1HG GLU 83 13.157 6.903 3.795 628 2HG GLU 83 2HG GLU 83 14.292 7.601 2.640 629 H ARG 84 H ARG 84 9.532 6.491 2.325 630 HA ARG 84 HA ARG 84 10.208 4.587 4.275 631 1HB ARG 84 1HB ARG 84 7.848 4.179 4.514 632 2HB ARG 84 2HB ARG 84 8.085 5.900 4.248 633 1HG ARG 84 1HG ARG 84 7.388 4.028 2.007 634 2HG ARG 84 2HG ARG 84 6.154 4.775 3.022 635 1HD ARG 84 1HD ARG 84 8.203 6.196 1.322 636 2HD ARG 84 2HD ARG 84 6.470 6.080 1.010 637 HE ARG 84 HE ARG 84 7.380 7.369 3.478 638 1HH1 ARG 84 1HH1 ARG 84 5.910 7.599 0.326 639 2HH1 ARG 84 2HH1 ARG 84 5.281 9.190 0.594 640 1HH2 ARG 84 1HH2 ARG 84 6.554 9.461 3.842 641 2HH2 ARG 84 2HH2 ARG 84 5.648 10.250 2.593 642 H VAL 85 H VAL 85 9.231 4.260 0.924 643 HA VAL 85 HA VAL 85 8.873 1.464 0.916 644 HB VAL 85 HB VAL 85 9.795 3.140 -1.418 645 1HG1 VAL 85 1HG1 VAL 85 8.599 1.474 -2.748 646 2HG1 VAL 85 2HG1 VAL 85 8.183 0.596 -1.277 647 3HG1 VAL 85 3HG1 VAL 85 9.870 0.732 -1.778 648 1HG2 VAL 85 1HG2 VAL 85 7.862 4.194 -0.345 649 2HG2 VAL 85 2HG2 VAL 85 6.973 2.675 -0.457 650 3HG2 VAL 85 3HG2 VAL 85 7.446 3.532 -1.925 651 H ARG 86 H ARG 86 11.671 3.528 0.473 652 HA ARG 86 HA ARG 86 13.456 1.633 -0.563 653 1HB ARG 86 1HB ARG 86 13.816 4.110 -0.481 654 2HB ARG 86 2HB ARG 86 14.163 3.951 1.236 655 1HG ARG 86 1HG ARG 86 16.146 2.797 0.858 656 2HG ARG 86 2HG ARG 86 15.692 2.369 -0.793 657 1HD ARG 86 1HD ARG 86 17.425 4.125 -0.698 658 2HD ARG 86 2HD ARG 86 15.950 4.656 -1.506 659 HE ARG 86 HE ARG 86 15.794 5.357 1.204 660 1HH1 ARG 86 1HH1 ARG 86 17.591 6.185 -1.666 661 2HH1 ARG 86 2HH1 ARG 86 17.882 7.818 -1.167 662 1HH2 ARG 86 1HH2 ARG 86 16.168 7.506 1.865 663 2HH2 ARG 86 2HH2 ARG 86 17.071 8.570 0.838 664 H ALA 87 H ALA 87 12.295 2.137 2.664 665 HA ALA 87 HA ALA 87 14.380 0.795 4.046 666 1HB ALA 87 1HB ALA 87 12.792 2.364 5.120 667 2HB ALA 87 2HB ALA 87 12.902 0.811 5.951 668 3HB ALA 87 3HB ALA 87 11.516 1.164 4.919 669 H ALA 88 H ALA 88 11.250 -0.227 2.752 670 HA ALA 88 HA ALA 88 11.348 -2.867 3.755 671 1HB ALA 88 1HB ALA 88 9.530 -3.337 2.234 672 2HB ALA 88 2HB ALA 88 9.871 -1.865 1.324 673 3HB ALA 88 3HB ALA 88 9.280 -1.758 2.982 674 H MET 89 H MET 89 12.445 -1.393 0.746 675 HA MET 89 HA MET 89 13.119 -3.802 -0.571 676 1HB MET 89 1HB MET 89 14.331 -1.065 -0.973 677 2HB MET 89 2HB MET 89 14.382 -2.403 -2.104 678 1HG MET 89 1HG MET 89 11.950 -0.876 -1.232 679 2HG MET 89 2HG MET 89 12.737 -0.824 -2.806 680 1HE MET 89 1HE MET 89 9.849 -1.121 -2.990 681 2HE MET 89 2HE MET 89 9.495 -2.616 -3.856 682 3HE MET 89 3HE MET 89 10.779 -1.550 -4.427 683 H GLU 90 H GLU 90 15.073 -1.467 1.253 684 HA GLU 90 HA GLU 90 17.533 -2.744 1.027 685 1HB GLU 90 1HB GLU 90 16.394 -1.026 3.228 686 2HB GLU 90 2HB GLU 90 18.062 -1.580 3.219 687 1HG GLU 90 1HG GLU 90 18.455 -0.425 1.119 688 2HG GLU 90 2HG GLU 90 16.771 0.093 1.076 689 H LYS 91 H LYS 91 14.850 -3.359 3.215 690 HA LYS 91 HA LYS 91 16.317 -5.252 4.812 691 1HB LYS 91 1HB LYS 91 13.360 -4.655 4.620 692 2HB LYS 91 2HB LYS 91 14.067 -5.781 5.772 693 1HG LYS 91 1HG LYS 91 14.725 -2.847 5.610 694 2HG LYS 91 2HG LYS 91 13.584 -3.570 6.743 695 1HD LYS 91 1HD LYS 91 15.410 -4.956 7.654 696 2HD LYS 91 2HD LYS 91 16.538 -4.163 6.552 697 1HE LYS 91 1HE LYS 91 16.628 -3.193 8.801 698 2HE LYS 91 2HE LYS 91 16.087 -2.018 7.604 699 1HZ LYS 91 1HZ LYS 91 14.752 -1.898 9.606 700 2HZ LYS 91 2HZ LYS 91 14.335 -3.532 9.464 701 3HZ LYS 91 3HZ LYS 91 13.804 -2.420 8.305 702 H LEU 92 H LEU 92 14.379 -5.375 1.930 703 HA LEU 92 HA LEU 92 14.098 -8.254 2.041 704 1HB LEU 92 1HB LEU 92 12.241 -7.521 0.992 705 2HB LEU 92 2HB LEU 92 12.999 -6.029 0.478 706 HG LEU 92 HG LEU 92 14.157 -7.427 -1.314 707 1HD1 LEU 92 1HD1 LEU 92 13.835 -9.642 -0.621 708 2HD1 LEU 92 2HD1 LEU 92 12.698 -9.434 -1.951 709 3HD1 LEU 92 3HD1 LEU 92 12.125 -9.381 -0.285 710 1HD2 LEU 92 1HD2 LEU 92 12.326 -7.153 -2.817 711 2HD2 LEU 92 2HD2 LEU 92 12.247 -5.842 -1.642 712 3HD2 LEU 92 3HD2 LEU 92 11.158 -7.221 -1.499 713 H ALA 93 H ALA 93 16.283 -5.909 0.876 714 HA ALA 93 HA ALA 93 17.455 -7.448 -1.228 715 1HB ALA 93 1HB ALA 93 19.186 -5.739 -1.245 716 2HB ALA 93 2HB ALA 93 18.584 -5.091 0.281 717 3HB ALA 93 3HB ALA 93 17.587 -4.997 -1.171 718 H GLU 94 H GLU 94 17.716 -7.404 2.190 719 HA GLU 94 HA GLU 94 20.356 -8.555 2.320 720 1HB GLU 94 1HB GLU 94 19.379 -7.107 4.121 721 2HB GLU 94 2HB GLU 94 18.258 -8.410 4.493 722 1HG GLU 94 1HG GLU 94 20.149 -9.873 5.025 723 2HG GLU 94 2HG GLU 94 21.260 -8.548 4.678 724 H THR 95 H THR 95 17.080 -9.658 2.136 725 HA THR 95 HA THR 95 18.010 -12.452 2.335 726 HB THR 95 HB THR 95 15.567 -12.967 2.892 727 HG1 THR 95 HG1 THR 95 14.865 -10.775 2.311 728 1HG2 THR 95 1HG2 THR 95 17.378 -13.068 4.554 729 2HG2 THR 95 2HG2 THR 95 15.864 -12.511 5.268 730 3HG2 THR 95 3HG2 THR 95 17.145 -11.355 4.901 731 H GLY 96 H GLY 96 17.684 -10.384 0.140 732 1HA GLY 96 1HA GLY 96 15.568 -10.920 -1.549 733 2HA GLY 96 2HA GLY 96 17.157 -10.400 -2.082 734 H THR 97 H THR 97 14.918 -12.585 -2.644 735 HA THR 97 HA THR 97 16.871 -14.526 -3.648 736 HB THR 97 HB THR 97 16.067 -15.556 -1.619 737 HG1 THR 97 HG1 THR 97 14.793 -17.350 -2.724 738 1HG2 THR 97 1HG2 THR 97 13.671 -16.044 -1.285 739 2HG2 THR 97 2HG2 THR 97 13.294 -15.093 -2.722 740 3HG2 THR 97 3HG2 THR 97 14.001 -14.311 -1.309 741 H GLY 98 H GLY 98 16.514 -15.090 -5.698 742 1HA GLY 98 1HA GLY 98 15.527 -15.251 -7.759 743 2HA GLY 98 2HA GLY 98 14.017 -15.498 -6.897 744 H PHE 99 H PHE 99 12.497 -14.138 -7.477 745 HA PHE 99 HA PHE 99 13.064 -11.729 -8.919 746 1HB PHE 99 1HB PHE 99 11.142 -12.951 -9.591 747 2HB PHE 99 2HB PHE 99 10.525 -13.032 -7.948 748 HD1 PHE 99 HD1 PHE 99 11.241 -10.658 -10.711 749 HD2 PHE 99 HD2 PHE 99 9.012 -11.452 -7.174 750 HE1 PHE 99 HE1 PHE 99 9.865 -8.661 -11.134 751 HE2 PHE 99 HE2 PHE 99 7.634 -9.458 -7.590 752 HZ PHE 99 HZ PHE 99 8.058 -8.060 -9.571 753 H ALA 100 H ALA 100 12.019 -12.506 -5.649 754 HA ALA 100 HA ALA 100 11.137 -10.053 -4.750 755 1HB ALA 100 1HB ALA 100 11.134 -12.246 -3.511 756 2HB ALA 100 2HB ALA 100 11.535 -10.822 -2.551 757 3HB ALA 100 3HB ALA 100 12.813 -11.913 -3.085 758 H ARG 101 H ARG 101 14.473 -11.193 -5.050 759 HA ARG 101 HA ARG 101 15.685 -9.012 -3.718 760 1HB ARG 101 1HB ARG 101 16.797 -11.183 -4.167 761 2HB ARG 101 2HB ARG 101 16.842 -10.770 -5.874 762 1HG ARG 101 1HG ARG 101 18.579 -9.358 -5.629 763 2HG ARG 101 2HG ARG 101 18.027 -8.784 -4.055 764 1HD ARG 101 1HD ARG 101 18.820 -10.841 -3.016 765 2HD ARG 101 2HD ARG 101 19.340 -11.447 -4.588 766 HE ARG 101 HE ARG 101 20.679 -9.110 -4.361 767 1HH1 ARG 101 1HH1 ARG 101 20.347 -11.877 -2.267 768 2HH1 ARG 101 2HH1 ARG 101 21.915 -11.688 -1.556 769 1HH2 ARG 101 1HH2 ARG 101 22.744 -8.854 -3.428 770 2HH2 ARG 101 2HH2 ARG 101 23.275 -9.970 -2.215 771 H LYS 102 H LYS 102 15.552 -9.723 -7.214 772 HA LYS 102 HA LYS 102 16.644 -7.442 -8.236 773 1HB LYS 102 1HB LYS 102 16.008 -9.250 -9.685 774 2HB LYS 102 2HB LYS 102 14.312 -9.059 -9.272 775 1HG LYS 102 1HG LYS 102 14.657 -8.164 -11.453 776 2HG LYS 102 2HG LYS 102 14.363 -6.818 -10.351 777 1HD LYS 102 1HD LYS 102 16.169 -6.209 -11.798 778 2HD LYS 102 2HD LYS 102 16.837 -6.508 -10.192 779 1HE LYS 102 1HE LYS 102 17.599 -8.695 -10.871 780 2HE LYS 102 2HE LYS 102 16.818 -8.517 -12.441 781 1HZ LYS 102 1HZ LYS 102 18.320 -6.734 -12.980 782 2HZ LYS 102 2HZ LYS 102 19.217 -8.091 -12.520 783 3HZ LYS 102 3HZ LYS 102 19.028 -6.802 -11.444 784 H VAL 103 H VAL 103 13.464 -7.860 -6.881 785 HA VAL 103 HA VAL 103 12.206 -5.542 -7.782 786 HB VAL 103 HB VAL 103 11.876 -7.227 -5.318 787 1HG1 VAL 103 1HG1 VAL 103 9.761 -5.974 -4.888 788 2HG1 VAL 103 2HG1 VAL 103 10.286 -4.770 -6.064 789 3HG1 VAL 103 3HG1 VAL 103 11.219 -5.028 -4.591 790 1HG2 VAL 103 1HG2 VAL 103 11.171 -8.162 -7.459 791 2HG2 VAL 103 2HG2 VAL 103 10.134 -6.763 -7.737 792 3HG2 VAL 103 3HG2 VAL 103 9.787 -7.867 -6.408 793 H ALA 104 H ALA 104 13.760 -6.050 -4.610 794 HA ALA 104 HA ALA 104 13.566 -3.427 -3.698 795 1HB ALA 104 1HB ALA 104 15.621 -5.518 -3.011 796 2HB ALA 104 2HB ALA 104 14.050 -5.302 -2.241 797 3HB ALA 104 3HB ALA 104 15.290 -4.060 -2.078 798 H VAL 105 H VAL 105 16.406 -5.023 -5.082 799 HA VAL 105 HA VAL 105 18.114 -2.821 -5.036 800 HB VAL 105 HB VAL 105 18.175 -5.203 -6.885 801 1HG1 VAL 105 1HG1 VAL 105 19.542 -3.492 -7.843 802 2HG1 VAL 105 2HG1 VAL 105 20.612 -4.654 -7.057 803 3HG1 VAL 105 3HG1 VAL 105 20.259 -3.112 -6.278 804 1HG2 VAL 105 1HG2 VAL 105 18.253 -5.834 -4.547 805 2HG2 VAL 105 2HG2 VAL 105 19.543 -4.668 -4.249 806 3HG2 VAL 105 3HG2 VAL 105 19.837 -6.066 -5.284 807 H ASN 106 H ASN 106 16.482 -4.150 -7.939 808 HA ASN 106 HA ASN 106 17.285 -2.147 -9.684 809 1HB ASN 106 1HB ASN 106 16.308 -4.199 -10.504 810 2HB ASN 106 2HB ASN 106 14.767 -3.813 -9.744 811 1HD2 ASN 106 1HD2 ASN 106 13.438 -2.270 -10.663 812 2HD2 ASN 106 2HD2 ASN 106 13.675 -1.678 -12.269 813 H TYR 107 H TYR 107 14.530 -2.165 -7.466 814 HA TYR 107 HA TYR 107 13.176 0.030 -8.580 815 1HB TYR 107 1HB TYR 107 11.972 -1.391 -7.120 816 2HB TYR 107 2HB TYR 107 13.187 -1.248 -5.858 817 HD1 TYR 107 HD1 TYR 107 12.819 0.132 -4.138 818 HD2 TYR 107 HD2 TYR 107 10.810 0.910 -7.785 819 HE1 TYR 107 HE1 TYR 107 11.601 1.976 -3.054 820 HE2 TYR 107 HE2 TYR 107 9.574 2.753 -6.727 821 HH TYR 107 HH TYR 107 8.890 3.444 -4.449 822 H LEU 108 H LEU 108 15.999 -0.238 -6.641 823 HA LEU 108 HA LEU 108 16.016 2.214 -5.314 824 1HB LEU 108 1HB LEU 108 18.300 0.581 -6.409 825 2HB LEU 108 2HB LEU 108 18.502 1.956 -5.350 826 HG LEU 108 HG LEU 108 16.958 -0.522 -4.600 827 1HD1 LEU 108 1HD1 LEU 108 19.340 -1.013 -4.976 828 2HD1 LEU 108 2HD1 LEU 108 18.880 -1.164 -3.280 829 3HD1 LEU 108 3HD1 LEU 108 19.766 0.258 -3.830 830 1HD2 LEU 108 1HD2 LEU 108 17.130 0.364 -2.334 831 2HD2 LEU 108 2HD2 LEU 108 16.295 1.500 -3.394 832 3HD2 LEU 108 3HD2 LEU 108 17.977 1.786 -2.944 833 H GLU 109 H GLU 109 16.264 1.547 -8.649 834 HA GLU 109 HA GLU 109 17.854 3.722 -9.488 835 1HB GLU 109 1HB GLU 109 15.665 2.223 -10.937 836 2HB GLU 109 2HB GLU 109 16.743 3.384 -11.700 837 1HG GLU 109 1HG GLU 109 17.550 0.798 -10.388 838 2HG GLU 109 2HG GLU 109 17.481 1.119 -12.121 839 H THR 110 H THR 110 14.587 3.495 -8.413 840 HA THR 110 HA THR 110 13.986 6.208 -9.356 841 HB THR 110 HB THR 110 11.647 5.702 -8.593 842 HG1 THR 110 HG1 THR 110 11.186 3.491 -8.157 843 1HG2 THR 110 1HG2 THR 110 12.362 5.417 -10.946 844 2HG2 THR 110 2HG2 THR 110 11.103 4.273 -10.479 845 3HG2 THR 110 3HG2 THR 110 12.779 3.739 -10.592 846 H HIS 111 H HIS 111 13.524 4.242 -6.413 847 HA HIS 111 HA HIS 111 14.287 6.569 -4.805 848 1HB HIS 111 1HB HIS 111 11.800 4.907 -4.344 849 2HB HIS 111 2HB HIS 111 12.415 6.131 -3.239 850 HD1 HIS 111 HD1 HIS 111 10.032 5.716 -5.859 851 HD2 HIS 111 HD2 HIS 111 12.552 8.790 -4.648 852 HE1 HIS 111 HE1 HIS 111 9.077 7.809 -6.878 853 HE2 HIS 111 HE2 HIS 111 10.620 9.658 -6.133 Start of MODEL 14 1 H MET 1 H MET 1 -25.305 10.215 15.069 2 HA MET 1 HA MET 1 -23.057 9.864 15.952 3 1HB MET 1 1HB MET 1 -25.098 10.956 17.898 4 2HB MET 1 2HB MET 1 -23.370 11.275 17.958 5 1HG MET 1 1HG MET 1 -25.226 12.052 15.720 6 2HG MET 1 2HG MET 1 -24.602 13.129 16.968 7 1HE MET 1 1HE MET 1 -22.050 13.810 17.197 8 2HE MET 1 2HE MET 1 -20.773 13.186 16.153 9 3HE MET 1 3HE MET 1 -21.602 12.106 17.274 10 H ALA 2 H ALA 2 -21.871 8.298 16.789 11 HA ALA 2 HA ALA 2 -22.705 7.053 19.298 12 1HB ALA 2 1HB ALA 2 -22.355 4.816 18.516 13 2HB ALA 2 2HB ALA 2 -21.822 5.398 16.941 14 3HB ALA 2 3HB ALA 2 -23.502 5.606 17.434 15 H ASP 3 H ASP 3 -20.465 8.738 17.766 16 HA ASP 3 HA ASP 3 -18.256 9.169 18.060 17 1HB ASP 3 1HB ASP 3 -18.659 7.478 20.537 18 2HB ASP 3 2HB ASP 3 -17.229 8.451 20.209 19 H GLU 4 H GLU 4 -19.321 6.447 16.922 20 HA GLU 4 HA GLU 4 -16.649 5.383 16.432 21 1HB GLU 4 1HB GLU 4 -18.939 3.677 17.426 22 2HB GLU 4 2HB GLU 4 -17.403 3.061 16.836 23 1HG GLU 4 1HG GLU 4 -16.242 4.187 18.662 24 2HG GLU 4 2HG GLU 4 -17.779 4.819 19.250 25 H ASN 5 H ASN 5 -20.119 5.060 15.738 26 HA ASN 5 HA ASN 5 -19.664 3.868 13.167 27 1HB ASN 5 1HB ASN 5 -22.197 5.056 14.310 28 2HB ASN 5 2HB ASN 5 -22.087 4.029 12.884 29 1HD2 ASN 5 1HD2 ASN 5 -21.648 1.835 13.131 30 2HD2 ASN 5 2HD2 ASN 5 -21.843 1.030 14.647 31 H LYS 6 H LYS 6 -18.229 5.491 12.307 32 HA LYS 6 HA LYS 6 -19.668 7.846 11.272 33 1HB LYS 6 1HB LYS 6 -16.825 7.462 12.135 34 2HB LYS 6 2HB LYS 6 -17.190 8.649 10.891 35 1HG LYS 6 1HG LYS 6 -17.099 9.737 13.024 36 2HG LYS 6 2HG LYS 6 -18.765 9.742 12.447 37 1HD LYS 6 1HD LYS 6 -19.313 7.893 13.907 38 2HD LYS 6 2HD LYS 6 -17.630 7.767 14.425 39 1HE LYS 6 1HE LYS 6 -19.432 10.146 14.859 40 2HE LYS 6 2HE LYS 6 -19.021 8.937 16.073 41 1HZ LYS 6 1HZ LYS 6 -16.717 9.595 15.927 42 2HZ LYS 6 2HZ LYS 6 -17.670 10.952 16.264 43 3HZ LYS 6 3HZ LYS 6 -17.070 10.708 14.702 44 H TRP 7 H TRP 7 -20.253 5.765 9.860 45 HA TRP 7 HA TRP 7 -20.248 4.853 7.780 46 1HB TRP 7 1HB TRP 7 -18.349 7.128 7.152 47 2HB TRP 7 2HB TRP 7 -19.141 6.107 5.957 48 HD1 TRP 7 HD1 TRP 7 -20.501 8.145 8.989 49 HE1 TRP 7 HE1 TRP 7 -22.522 9.513 8.170 50 HE3 TRP 7 HE3 TRP 7 -20.514 6.722 4.075 51 HZ2 TRP 7 HZ2 TRP 7 -23.935 9.934 5.763 52 HZ3 TRP 7 HZ3 TRP 7 -22.235 7.653 2.582 53 HH2 TRP 7 HH2 TRP 7 -23.909 9.225 3.410 54 H VAL 8 H VAL 8 -18.060 4.405 9.886 55 HA VAL 8 HA VAL 8 -15.797 3.478 8.364 56 HB VAL 8 HB VAL 8 -16.427 2.850 11.246 57 1HG1 VAL 8 1HG1 VAL 8 -14.635 1.522 10.398 58 2HG1 VAL 8 2HG1 VAL 8 -13.937 2.784 11.414 59 3HG1 VAL 8 3HG1 VAL 8 -13.869 2.928 9.656 60 1HG2 VAL 8 1HG2 VAL 8 -15.195 4.837 11.876 61 2HG2 VAL 8 2HG2 VAL 8 -16.569 5.276 10.862 62 3HG2 VAL 8 3HG2 VAL 8 -14.942 5.249 10.179 63 H ARG 9 H ARG 9 -18.350 1.927 10.310 64 HA ARG 9 HA ARG 9 -18.107 -0.455 8.621 65 1HB ARG 9 1HB ARG 9 -18.194 -0.491 11.646 66 2HB ARG 9 2HB ARG 9 -18.305 -1.911 10.616 67 1HG ARG 9 1HG ARG 9 -16.053 -1.475 9.770 68 2HG ARG 9 2HG ARG 9 -15.944 -0.052 10.809 69 1HD ARG 9 1HD ARG 9 -16.175 -1.456 12.784 70 2HD ARG 9 2HD ARG 9 -16.352 -2.884 11.766 71 HE ARG 9 HE ARG 9 -13.927 -1.598 11.153 72 1HH1 ARG 9 1HH1 ARG 9 -15.427 -3.452 13.697 73 2HH1 ARG 9 2HH1 ARG 9 -13.932 -4.103 14.280 74 1HH2 ARG 9 1HH2 ARG 9 -11.955 -2.453 11.916 75 2HH2 ARG 9 2HH2 ARG 9 -11.958 -3.533 13.269 76 H ARG 10 H ARG 10 -20.013 1.838 10.173 77 HA ARG 10 HA ARG 10 -22.381 0.400 10.640 78 1HB ARG 10 1HB ARG 10 -21.882 2.757 11.392 79 2HB ARG 10 2HB ARG 10 -22.181 3.283 9.742 80 1HG ARG 10 1HG ARG 10 -24.306 1.671 11.005 81 2HG ARG 10 2HG ARG 10 -24.047 3.290 11.658 82 1HD ARG 10 1HD ARG 10 -24.544 2.620 8.759 83 2HD ARG 10 2HD ARG 10 -25.737 3.273 9.881 84 HE ARG 10 HE ARG 10 -23.278 4.763 9.258 85 1HH1 ARG 10 1HH1 ARG 10 -26.754 4.531 9.364 86 2HH1 ARG 10 2HH1 ARG 10 -27.006 6.200 8.976 87 1HH2 ARG 10 1HH2 ARG 10 -23.602 6.962 8.749 88 2HH2 ARG 10 2HH2 ARG 10 -25.215 7.581 8.629 89 H ASP 11 H ASP 11 -23.168 -0.917 9.116 90 HA ASP 11 HA ASP 11 -24.308 -1.551 7.242 91 1HB ASP 11 1HB ASP 11 -25.336 0.708 7.279 92 2HB ASP 11 2HB ASP 11 -23.991 1.303 6.310 93 H VAL 12 H VAL 12 -21.267 0.005 7.146 94 HA VAL 12 HA VAL 12 -20.492 -0.266 4.493 95 HB VAL 12 HB VAL 12 -18.757 -0.602 6.942 96 1HG1 VAL 12 1HG1 VAL 12 -18.079 0.038 4.077 97 2HG1 VAL 12 2HG1 VAL 12 -17.597 -1.387 4.998 98 3HG1 VAL 12 3HG1 VAL 12 -16.955 0.200 5.426 99 1HG2 VAL 12 1HG2 VAL 12 -18.294 1.786 6.700 100 2HG2 VAL 12 2HG2 VAL 12 -20.012 1.494 6.974 101 3HG2 VAL 12 3HG2 VAL 12 -19.429 1.874 5.354 102 H SER 13 H SER 13 -19.544 -2.493 7.115 103 HA SER 13 HA SER 13 -19.216 -4.736 7.177 104 1HB SER 13 1HB SER 13 -21.472 -4.919 6.205 105 2HB SER 13 2HB SER 13 -20.782 -4.790 4.587 106 HG SER 13 HG SER 13 -19.724 -6.738 4.917 107 H THR 14 H THR 14 -19.195 -4.493 3.637 108 HA THR 14 HA THR 14 -16.350 -5.258 3.711 109 HB THR 14 HB THR 14 -16.717 -6.208 1.434 110 HG1 THR 14 HG1 THR 14 -18.652 -4.950 0.995 111 1HG2 THR 14 1HG2 THR 14 -18.406 -7.286 3.691 112 2HG2 THR 14 2HG2 THR 14 -16.740 -7.715 3.301 113 3HG2 THR 14 3HG2 THR 14 -18.048 -8.177 2.212 114 H ALA 15 H ALA 15 -15.389 -3.267 3.643 115 HA ALA 15 HA ALA 15 -16.129 -1.395 1.522 116 1HB ALA 15 1HB ALA 15 -14.503 -1.189 4.021 117 2HB ALA 15 2HB ALA 15 -15.879 -0.220 3.496 118 3HB ALA 15 3HB ALA 15 -14.306 -0.002 2.735 119 H LEU 16 H LEU 16 -14.145 -3.985 1.830 120 HA LEU 16 HA LEU 16 -11.659 -3.195 0.865 121 1HB LEU 16 1HB LEU 16 -13.110 -5.768 0.294 122 2HB LEU 16 2HB LEU 16 -11.383 -5.507 0.135 123 HG LEU 16 HG LEU 16 -11.667 -4.856 2.720 124 1HD1 LEU 16 1HD1 LEU 16 -13.918 -6.744 2.092 125 2HD1 LEU 16 2HD1 LEU 16 -13.979 -5.219 2.975 126 3HD1 LEU 16 3HD1 LEU 16 -13.197 -6.625 3.696 127 1HD2 LEU 16 1HD2 LEU 16 -10.919 -7.120 3.246 128 2HD2 LEU 16 2HD2 LEU 16 -10.114 -6.500 1.804 129 3HD2 LEU 16 3HD2 LEU 16 -11.429 -7.665 1.648 130 H SER 17 H SER 17 -14.672 -3.280 -0.764 131 HA SER 17 HA SER 17 -14.084 -3.888 -3.368 132 1HB SER 17 1HB SER 17 -15.855 -1.634 -2.392 133 2HB SER 17 2HB SER 17 -15.892 -2.331 -4.012 134 HG SER 17 HG SER 17 -16.289 -4.392 -2.845 135 H ARG 18 H ARG 18 -13.749 -0.674 -1.865 136 HA ARG 18 HA ARG 18 -11.349 0.032 -3.047 137 1HB ARG 18 1HB ARG 18 -13.518 0.136 -4.915 138 2HB ARG 18 2HB ARG 18 -12.969 1.776 -4.598 139 1HG ARG 18 1HG ARG 18 -11.112 -0.463 -5.357 140 2HG ARG 18 2HG ARG 18 -11.874 0.610 -6.532 141 1HD ARG 18 1HD ARG 18 -10.113 1.504 -4.252 142 2HD ARG 18 2HD ARG 18 -9.587 1.318 -5.924 143 HE ARG 18 HE ARG 18 -11.736 3.006 -6.049 144 1HH1 ARG 18 1HH1 ARG 18 -8.683 3.007 -4.366 145 2HH1 ARG 18 2HH1 ARG 18 -8.542 4.733 -4.364 146 1HH2 ARG 18 1HH2 ARG 18 -11.553 5.277 -6.050 147 2HH2 ARG 18 2HH2 ARG 18 -10.171 6.022 -5.319 148 H MET 19 H MET 19 -13.721 0.472 -0.980 149 HA MET 19 HA MET 19 -14.102 3.240 -0.747 150 1HB MET 19 1HB MET 19 -14.065 1.355 1.595 151 2HB MET 19 2HB MET 19 -15.050 2.794 1.366 152 1HG MET 19 1HG MET 19 -15.996 1.444 -0.670 153 2HG MET 19 2HG MET 19 -15.386 0.057 0.235 154 1HE MET 19 1HE MET 19 -17.934 2.999 0.097 155 2HE MET 19 2HE MET 19 -16.962 3.469 1.491 156 3HE MET 19 3HE MET 19 -18.641 2.977 1.713 157 H GLY 20 H GLY 20 -11.651 1.099 0.655 158 1HA GLY 20 1HA GLY 20 -9.539 1.598 1.439 159 2HA GLY 20 2HA GLY 20 -9.769 3.239 0.856 160 H ASP 21 H ASP 21 -8.412 2.961 3.138 161 HA ASP 21 HA ASP 21 -8.281 3.687 5.289 162 1HB ASP 21 1HB ASP 21 -9.602 5.607 4.305 163 2HB ASP 21 2HB ASP 21 -11.058 4.814 4.901 164 H GLU 22 H GLU 22 -11.790 3.257 5.273 165 HA GLU 22 HA GLU 22 -11.800 1.736 7.652 166 1HB GLU 22 1HB GLU 22 -14.181 1.369 7.157 167 2HB GLU 22 2HB GLU 22 -13.732 3.054 6.928 168 1HG GLU 22 1HG GLU 22 -13.343 1.883 4.440 169 2HG GLU 22 2HG GLU 22 -14.834 1.166 5.049 170 H ALA 23 H ALA 23 -11.064 0.918 4.464 171 HA ALA 23 HA ALA 23 -11.752 -1.908 4.823 172 1HB ALA 23 1HB ALA 23 -11.267 -2.134 2.435 173 2HB ALA 23 2HB ALA 23 -10.795 -0.436 2.371 174 3HB ALA 23 3HB ALA 23 -12.463 -0.874 2.734 175 H PHE 24 H PHE 24 -9.240 0.050 5.541 176 HA PHE 24 HA PHE 24 -6.988 -1.288 4.511 177 1HB PHE 24 1HB PHE 24 -7.279 1.011 5.811 178 2HB PHE 24 2HB PHE 24 -6.833 0.003 7.186 179 HD1 PHE 24 HD1 PHE 24 -4.762 -1.577 6.718 180 HD2 PHE 24 HD2 PHE 24 -5.593 2.050 4.657 181 HE1 PHE 24 HE1 PHE 24 -2.399 -1.396 6.092 182 HE2 PHE 24 HE2 PHE 24 -3.226 2.239 4.030 183 HZ PHE 24 HZ PHE 24 -1.621 0.515 4.746 184 H GLU 25 H GLU 25 -8.641 -1.597 7.639 185 HA GLU 25 HA GLU 25 -6.986 -3.615 8.667 186 1HB GLU 25 1HB GLU 25 -9.616 -2.489 9.348 187 2HB GLU 25 2HB GLU 25 -9.336 -4.141 9.880 188 1HG GLU 25 1HG GLU 25 -7.365 -3.460 11.094 189 2HG GLU 25 2HG GLU 25 -7.519 -1.816 10.476 190 HA PRO 26 HA PRO 26 -10.362 -6.861 7.213 191 1HB PRO 26 1HB PRO 26 -11.706 -5.992 4.935 192 2HB PRO 26 2HB PRO 26 -12.389 -6.048 6.563 193 1HG PRO 26 1HG PRO 26 -11.233 -3.743 5.067 194 2HG PRO 26 2HG PRO 26 -12.617 -3.786 6.174 195 1HD PRO 26 1HD PRO 26 -10.238 -2.802 6.930 196 2HD PRO 26 2HD PRO 26 -11.268 -3.707 8.058 197 H LEU 27 H LEU 27 -8.445 -4.706 5.424 198 HA LEU 27 HA LEU 27 -7.953 -6.399 3.162 199 1HB LEU 27 1HB LEU 27 -7.573 -4.283 2.481 200 2HB LEU 27 2HB LEU 27 -7.269 -3.721 4.115 201 HG LEU 27 HG LEU 27 -4.958 -4.721 3.901 202 1HD1 LEU 27 1HD1 LEU 27 -5.418 -6.215 2.026 203 2HD1 LEU 27 2HD1 LEU 27 -4.120 -5.087 1.637 204 3HD1 LEU 27 3HD1 LEU 27 -5.740 -4.825 0.991 205 1HD2 LEU 27 1HD2 LEU 27 -5.432 -2.598 1.843 206 2HD2 LEU 27 2HD2 LEU 27 -4.106 -2.756 2.996 207 3HD2 LEU 27 3HD2 LEU 27 -5.707 -2.277 3.554 208 H LEU 28 H LEU 28 -6.369 -5.575 6.197 209 HA LEU 28 HA LEU 28 -4.081 -7.265 5.681 210 1HB LEU 28 1HB LEU 28 -4.881 -6.167 8.364 211 2HB LEU 28 2HB LEU 28 -3.274 -6.566 7.786 212 HG LEU 28 HG LEU 28 -4.865 -4.351 6.552 213 1HD1 LEU 28 1HD1 LEU 28 -2.959 -4.079 8.866 214 2HD1 LEU 28 2HD1 LEU 28 -4.714 -3.984 8.995 215 3HD1 LEU 28 3HD1 LEU 28 -3.834 -2.783 8.050 216 1HD2 LEU 28 1HD2 LEU 28 -2.887 -5.209 5.361 217 2HD2 LEU 28 2HD2 LEU 28 -1.899 -4.842 6.775 218 3HD2 LEU 28 3HD2 LEU 28 -2.684 -3.537 5.885 219 H GLU 29 H GLU 29 -7.221 -7.514 7.020 220 HA GLU 29 HA GLU 29 -6.913 -9.631 8.799 221 1HB GLU 29 1HB GLU 29 -8.986 -8.399 8.713 222 2HB GLU 29 2HB GLU 29 -9.250 -8.871 7.041 223 1HG GLU 29 1HG GLU 29 -10.687 -10.142 8.495 224 2HG GLU 29 2HG GLU 29 -9.493 -11.205 7.752 225 H SER 30 H SER 30 -7.096 -9.470 5.342 226 HA SER 30 HA SER 30 -7.572 -12.189 4.768 227 1HB SER 30 1HB SER 30 -7.979 -10.874 2.929 228 2HB SER 30 2HB SER 30 -6.611 -9.810 3.255 229 HG SER 30 HG SER 30 -5.255 -11.254 2.342 230 H LEU 31 H LEU 31 -4.703 -10.441 5.639 231 HA LEU 31 HA LEU 31 -2.713 -12.059 4.566 232 1HB LEU 31 1HB LEU 31 -2.650 -10.652 7.233 233 2HB LEU 31 2HB LEU 31 -1.257 -11.199 6.321 234 HG LEU 31 HG LEU 31 -3.175 -9.028 5.471 235 1HD1 LEU 31 1HD1 LEU 31 -1.246 -7.547 5.815 236 2HD1 LEU 31 2HD1 LEU 31 -0.328 -8.911 6.455 237 3HD1 LEU 31 3HD1 LEU 31 -1.759 -8.333 7.308 238 1HD2 LEU 31 1HD2 LEU 31 -1.641 -8.642 3.628 239 2HD2 LEU 31 2HD2 LEU 31 -2.264 -10.292 3.568 240 3HD2 LEU 31 3HD2 LEU 31 -0.632 -9.985 4.162 241 H SER 32 H SER 32 -4.966 -12.814 7.023 242 HA SER 32 HA SER 32 -3.301 -14.896 8.194 243 1HB SER 32 1HB SER 32 -6.176 -14.183 8.813 244 2HB SER 32 2HB SER 32 -5.122 -15.226 9.768 245 HG SER 32 HG SER 32 -3.969 -12.822 9.333 246 H ASN 33 H ASN 33 -4.373 -14.953 5.354 247 HA ASN 33 HA ASN 33 -5.817 -17.514 5.544 248 1HB ASN 33 1HB ASN 33 -5.866 -15.456 3.330 249 2HB ASN 33 2HB ASN 33 -6.686 -17.014 3.274 250 1HD2 ASN 33 1HD2 ASN 33 -8.435 -17.392 4.673 251 2HD2 ASN 33 2HD2 ASN 33 -9.316 -16.084 5.378 252 H GLU 34 H GLU 34 -4.766 -19.261 4.921 253 HA GLU 34 HA GLU 34 -2.139 -19.170 3.866 254 1HB GLU 34 1HB GLU 34 -2.315 -21.616 3.756 255 2HB GLU 34 2HB GLU 34 -2.880 -20.996 5.300 256 1HG GLU 34 1HG GLU 34 -5.185 -21.245 4.582 257 2HG GLU 34 2HG GLU 34 -4.645 -21.809 3.001 258 H ASP 35 H ASP 35 -5.040 -18.681 2.331 259 HA ASP 35 HA ASP 35 -4.526 -20.081 -0.118 260 1HB ASP 35 1HB ASP 35 -6.467 -17.851 0.521 261 2HB ASP 35 2HB ASP 35 -6.436 -18.753 -0.992 262 H TRP 36 H TRP 36 -4.129 -19.077 -2.180 263 HA TRP 36 HA TRP 36 -2.176 -16.932 -1.959 264 1HB TRP 36 1HB TRP 36 -1.729 -17.465 -4.370 265 2HB TRP 36 2HB TRP 36 -1.485 -18.821 -3.274 266 HD1 TRP 36 HD1 TRP 36 -3.128 -20.901 -3.503 267 HE1 TRP 36 HE1 TRP 36 -4.769 -21.616 -5.351 268 HE3 TRP 36 HE3 TRP 36 -3.374 -16.518 -6.131 269 HZ2 TRP 36 HZ2 TRP 36 -6.002 -20.487 -7.613 270 HZ3 TRP 36 HZ3 TRP 36 -4.811 -16.424 -8.127 271 HH2 TRP 36 HH2 TRP 36 -6.095 -18.372 -8.848 272 H ARG 37 H ARG 37 -5.329 -17.550 -3.374 273 HA ARG 37 HA ARG 37 -5.467 -15.168 -4.912 274 1HB ARG 37 1HB ARG 37 -7.897 -15.650 -5.015 275 2HB ARG 37 2HB ARG 37 -6.904 -17.036 -5.444 276 1HG ARG 37 1HG ARG 37 -7.215 -17.901 -3.139 277 2HG ARG 37 2HG ARG 37 -8.331 -16.568 -2.836 278 1HD ARG 37 1HD ARG 37 -9.566 -18.566 -3.426 279 2HD ARG 37 2HD ARG 37 -9.740 -17.352 -4.693 280 HE ARG 37 HE ARG 37 -7.593 -19.155 -5.226 281 1HH1 ARG 37 1HH1 ARG 37 -11.056 -18.797 -5.384 282 2HH1 ARG 37 2HH1 ARG 37 -11.243 -19.932 -6.678 283 1HH2 ARG 37 1HH2 ARG 37 -7.829 -20.648 -6.929 284 2HH2 ARG 37 2HH2 ARG 37 -9.406 -20.985 -7.560 285 H ILE 38 H ILE 38 -6.255 -15.978 -1.601 286 HA ILE 38 HA ILE 38 -7.599 -13.475 -1.089 287 HB ILE 38 HB ILE 38 -6.637 -15.533 0.901 288 1HG1 ILE 38 1HG1 ILE 38 -8.167 -16.551 -0.722 289 2HG1 ILE 38 2HG1 ILE 38 -8.938 -16.406 0.853 290 1HG2 ILE 38 1HG2 ILE 38 -7.089 -13.416 1.942 291 2HG2 ILE 38 2HG2 ILE 38 -8.387 -14.538 2.344 292 3HG2 ILE 38 3HG2 ILE 38 -8.643 -13.296 1.119 293 1HD1 ILE 38 1HD1 ILE 38 -10.498 -15.829 -0.881 294 2HD1 ILE 38 2HD1 ILE 38 -9.383 -14.630 -1.533 295 3HD1 ILE 38 3HD1 ILE 38 -10.106 -14.388 0.057 296 H ARG 39 H ARG 39 -4.598 -15.005 0.071 297 HA ARG 39 HA ARG 39 -3.595 -12.836 1.504 298 1HB ARG 39 1HB ARG 39 -2.709 -15.153 1.605 299 2HB ARG 39 2HB ARG 39 -2.010 -14.933 0.008 300 1HG ARG 39 1HG ARG 39 -0.223 -14.563 1.425 301 2HG ARG 39 2HG ARG 39 -0.782 -12.930 1.055 302 1HD ARG 39 1HD ARG 39 -2.060 -12.917 3.159 303 2HD ARG 39 2HD ARG 39 -1.432 -14.521 3.533 304 HE ARG 39 HE ARG 39 0.258 -12.117 3.284 305 1HH1 ARG 39 1HH1 ARG 39 -0.520 -15.179 4.758 306 2HH1 ARG 39 2HH1 ARG 39 0.804 -15.123 5.872 307 1HH2 ARG 39 1HH2 ARG 39 2.004 -12.039 4.748 308 2HH2 ARG 39 2HH2 ARG 39 2.237 -13.341 5.867 309 H GLY 40 H GLY 40 -3.250 -13.676 -1.911 310 1HA GLY 40 1HA GLY 40 -1.340 -11.712 -2.577 311 2HA GLY 40 2HA GLY 40 -2.431 -12.501 -3.702 312 H ALA 41 H ALA 41 -4.846 -11.686 -3.221 313 HA ALA 41 HA ALA 41 -5.127 -9.201 -4.295 314 1HB ALA 41 1HB ALA 41 -7.037 -10.468 -2.339 315 2HB ALA 41 2HB ALA 41 -6.948 -10.825 -4.063 316 3HB ALA 41 3HB ALA 41 -7.424 -9.216 -3.519 317 H ALA 42 H ALA 42 -4.451 -9.953 -0.961 318 HA ALA 42 HA ALA 42 -5.241 -7.489 0.177 319 1HB ALA 42 1HB ALA 42 -4.845 -9.518 1.502 320 2HB ALA 42 2HB ALA 42 -3.910 -8.147 2.099 321 3HB ALA 42 3HB ALA 42 -3.121 -9.403 1.146 322 H ALA 43 H ALA 43 -1.978 -8.670 -0.683 323 HA ALA 43 HA ALA 43 -0.698 -6.189 -0.225 324 1HB ALA 43 1HB ALA 43 0.171 -8.527 -1.918 325 2HB ALA 43 2HB ALA 43 0.545 -8.259 -0.214 326 3HB ALA 43 3HB ALA 43 1.197 -7.174 -1.441 327 H TRP 44 H TRP 44 -2.133 -7.680 -3.075 328 HA TRP 44 HA TRP 44 -1.148 -6.026 -5.068 329 1HB TRP 44 1HB TRP 44 -3.599 -7.693 -4.766 330 2HB TRP 44 2HB TRP 44 -3.509 -6.580 -6.128 331 HD1 TRP 44 HD1 TRP 44 -1.387 -9.437 -4.587 332 HE1 TRP 44 HE1 TRP 44 -0.174 -10.651 -6.502 333 HE3 TRP 44 HE3 TRP 44 -2.914 -6.515 -8.492 334 HZ2 TRP 44 HZ2 TRP 44 0.104 -10.404 -9.298 335 HZ3 TRP 44 HZ3 TRP 44 -2.130 -7.072 -10.758 336 HH2 TRP 44 HH2 TRP 44 -0.654 -8.977 -11.152 337 H ILE 45 H ILE 45 -3.743 -5.466 -2.789 338 HA ILE 45 HA ILE 45 -4.413 -2.925 -4.086 339 HB ILE 45 HB ILE 45 -5.790 -4.273 -1.755 340 1HG1 ILE 45 1HG1 ILE 45 -5.930 -5.631 -3.804 341 2HG1 ILE 45 2HG1 ILE 45 -7.497 -4.958 -3.373 342 1HG2 ILE 45 1HG2 ILE 45 -6.531 -1.905 -3.462 343 2HG2 ILE 45 2HG2 ILE 45 -6.234 -1.934 -1.724 344 3HG2 ILE 45 3HG2 ILE 45 -7.659 -2.732 -2.390 345 1HD1 ILE 45 1HD1 ILE 45 -5.651 -3.887 -5.494 346 2HD1 ILE 45 2HD1 ILE 45 -7.240 -3.244 -5.078 347 3HD1 ILE 45 3HD1 ILE 45 -7.096 -4.859 -5.772 348 H ILE 46 H ILE 46 -2.703 -4.240 -1.436 349 HA ILE 46 HA ILE 46 -2.840 -2.153 0.423 350 HB ILE 46 HB ILE 46 -1.418 -4.594 0.146 351 1HG1 ILE 46 1HG1 ILE 46 -1.209 -2.999 2.635 352 2HG1 ILE 46 2HG1 ILE 46 -2.829 -3.343 2.041 353 1HG2 ILE 46 1HG2 ILE 46 0.739 -4.018 1.164 354 2HG2 ILE 46 2HG2 ILE 46 0.361 -2.306 0.973 355 3HG2 ILE 46 3HG2 ILE 46 0.562 -3.329 -0.450 356 1HD1 ILE 46 1HD1 ILE 46 -2.056 -4.990 3.675 357 2HD1 ILE 46 2HD1 ILE 46 -0.721 -5.405 2.602 358 3HD1 ILE 46 3HD1 ILE 46 -2.381 -5.713 2.100 359 H GLY 47 H GLY 47 -0.654 -2.661 -2.321 360 1HA GLY 47 1HA GLY 47 1.147 -0.582 -1.789 361 2HA GLY 47 2HA GLY 47 0.805 -1.241 -3.381 362 H ASN 48 H ASN 48 -2.127 -0.414 -2.731 363 HA ASN 48 HA ASN 48 -2.021 2.025 -4.189 364 1HB ASN 48 1HB ASN 48 -4.378 0.870 -2.689 365 2HB ASN 48 2HB ASN 48 -4.431 2.045 -3.999 366 1HD2 ASN 48 1HD2 ASN 48 -2.273 0.638 -5.446 367 2HD2 ASN 48 2HD2 ASN 48 -3.026 -0.745 -6.158 368 H PHE 49 H PHE 49 -2.692 1.241 -0.780 369 HA PHE 49 HA PHE 49 -2.904 4.079 -0.149 370 1HB PHE 49 1HB PHE 49 -3.080 1.776 1.794 371 2HB PHE 49 2HB PHE 49 -3.706 3.410 1.990 372 HD1 PHE 49 HD1 PHE 49 -5.257 3.987 -0.290 373 HD2 PHE 49 HD2 PHE 49 -4.769 0.244 1.675 374 HE1 PHE 49 HE1 PHE 49 -7.439 3.253 -1.156 375 HE2 PHE 49 HE2 PHE 49 -6.950 -0.498 0.811 376 HZ PHE 49 HZ PHE 49 -8.288 1.008 -0.608 377 H GLN 50 H GLN 50 -0.985 5.069 -0.035 378 HA GLN 50 HA GLN 50 1.412 3.764 0.791 379 1HB GLN 50 1HB GLN 50 0.823 6.713 0.471 380 2HB GLN 50 2HB GLN 50 2.423 6.011 0.668 381 1HG GLN 50 1HG GLN 50 2.259 6.358 -1.614 382 2HG GLN 50 2HG GLN 50 1.869 4.647 -1.424 383 1HE2 GLN 50 1HE2 GLN 50 0.739 4.586 -3.356 384 2HE2 GLN 50 2HE2 GLN 50 -0.815 5.318 -3.542 385 H ASP 51 H ASP 51 0.523 2.930 2.822 386 HA ASP 51 HA ASP 51 0.850 4.889 4.990 387 1HB ASP 51 1HB ASP 51 -1.531 4.315 4.704 388 2HB ASP 51 2HB ASP 51 -1.141 2.611 4.923 389 H GLU 52 H GLU 52 1.632 4.030 6.998 390 HA GLU 52 HA GLU 52 3.763 2.211 6.686 391 1HB GLU 52 1HB GLU 52 3.910 2.353 9.187 392 2HB GLU 52 2HB GLU 52 3.924 3.905 8.361 393 1HG GLU 52 1HG GLU 52 1.569 4.222 8.891 394 2HG GLU 52 2HG GLU 52 1.532 2.652 9.694 395 H ARG 53 H ARG 53 0.452 1.805 7.664 396 HA ARG 53 HA ARG 53 0.729 -0.725 8.917 397 1HB ARG 53 1HB ARG 53 -1.192 0.831 9.240 398 2HB ARG 53 2HB ARG 53 -1.717 0.472 7.602 399 1HG ARG 53 1HG ARG 53 -2.169 -1.800 8.166 400 2HG ARG 53 2HG ARG 53 -1.437 -1.602 9.763 401 1HD ARG 53 1HD ARG 53 -3.893 -0.156 8.770 402 2HD ARG 53 2HD ARG 53 -3.900 -1.560 9.834 403 HE ARG 53 HE ARG 53 -2.316 0.538 10.909 404 1HH1 ARG 53 1HH1 ARG 53 -5.613 -0.486 10.436 405 2HH1 ARG 53 2HH1 ARG 53 -6.217 0.389 11.804 406 1HH2 ARG 53 1HH2 ARG 53 -3.104 1.691 12.713 407 2HH2 ARG 53 2HH2 ARG 53 -4.791 1.624 13.096 408 H ALA 54 H ALA 54 1.044 0.176 5.701 409 HA ALA 54 HA ALA 54 0.184 -2.460 4.707 410 1HB ALA 54 1HB ALA 54 0.305 -1.397 2.452 411 2HB ALA 54 2HB ALA 54 0.632 0.139 3.252 412 3HB ALA 54 3HB ALA 54 -0.900 -0.689 3.524 413 H VAL 55 H VAL 55 2.790 -1.382 6.026 414 HA VAL 55 HA VAL 55 4.749 -1.901 3.955 415 HB VAL 55 HB VAL 55 5.151 -1.319 6.891 416 1HG1 VAL 55 1HG1 VAL 55 7.434 -0.897 6.354 417 2HG1 VAL 55 2HG1 VAL 55 7.123 -1.106 4.631 418 3HG1 VAL 55 3HG1 VAL 55 7.022 -2.490 5.719 419 1HG2 VAL 55 1HG2 VAL 55 5.303 0.520 4.506 420 2HG2 VAL 55 2HG2 VAL 55 5.655 0.955 6.178 421 3HG2 VAL 55 3HG2 VAL 55 4.016 0.503 5.710 422 H GLU 56 H GLU 56 3.861 -3.360 7.090 423 HA GLU 56 HA GLU 56 5.689 -5.446 7.075 424 1HB GLU 56 1HB GLU 56 4.382 -4.905 9.043 425 2HB GLU 56 2HB GLU 56 2.901 -5.398 8.233 426 1HG GLU 56 1HG GLU 56 3.777 -7.696 8.091 427 2HG GLU 56 2HG GLU 56 5.208 -7.180 8.982 428 HA PRO 57 HA PRO 57 2.004 -8.101 4.915 429 1HB PRO 57 1HB PRO 57 1.432 -5.845 3.045 430 2HB PRO 57 2HB PRO 57 0.374 -7.148 3.601 431 1HG PRO 57 1HG PRO 57 0.161 -4.716 4.645 432 2HG PRO 57 2HG PRO 57 0.019 -6.155 5.672 433 1HD PRO 57 1HD PRO 57 2.262 -4.218 5.424 434 2HD PRO 57 2HD PRO 57 1.727 -5.155 6.832 435 H LEU 58 H LEU 58 4.068 -5.669 3.395 436 HA LEU 58 HA LEU 58 4.617 -7.264 1.086 437 1HB LEU 58 1HB LEU 58 6.374 -5.030 2.039 438 2HB LEU 58 2HB LEU 58 6.045 -5.542 0.396 439 HG LEU 58 HG LEU 58 4.203 -4.014 2.227 440 1HD1 LEU 58 1HD1 LEU 58 4.340 -2.317 0.458 441 2HD1 LEU 58 2HD1 LEU 58 5.503 -3.327 -0.403 442 3HD1 LEU 58 3HD1 LEU 58 5.912 -2.661 1.178 443 1HD2 LEU 58 1HD2 LEU 58 3.662 -5.229 -0.476 444 2HD2 LEU 58 2HD2 LEU 58 2.652 -3.996 0.279 445 3HD2 LEU 58 3HD2 LEU 58 2.833 -5.575 1.043 446 H ILE 59 H ILE 59 6.269 -6.592 4.125 447 HA ILE 59 HA ILE 59 8.727 -7.760 3.621 448 HB ILE 59 HB ILE 59 7.230 -7.828 6.239 449 1HG1 ILE 59 1HG1 ILE 59 7.377 -5.553 5.293 450 2HG1 ILE 59 2HG1 ILE 59 8.354 -5.721 6.746 451 1HG2 ILE 59 1HG2 ILE 59 10.167 -8.055 5.606 452 2HG2 ILE 59 2HG2 ILE 59 9.125 -9.306 6.285 453 3HG2 ILE 59 3HG2 ILE 59 9.501 -7.863 7.228 454 1HD1 ILE 59 1HD1 ILE 59 9.402 -5.814 3.927 455 2HD1 ILE 59 2HD1 ILE 59 10.362 -5.898 5.404 456 3HD1 ILE 59 3HD1 ILE 59 9.479 -4.423 5.008 457 H LYS 60 H LYS 60 5.856 -9.327 5.054 458 HA LYS 60 HA LYS 60 7.091 -11.885 5.228 459 1HB LYS 60 1HB LYS 60 4.131 -11.320 5.208 460 2HB LYS 60 2HB LYS 60 4.955 -12.695 5.929 461 1HG LYS 60 1HG LYS 60 5.186 -9.834 6.845 462 2HG LYS 60 2HG LYS 60 4.213 -11.091 7.611 463 1HD LYS 60 1HD LYS 60 6.219 -12.376 8.099 464 2HD LYS 60 2HD LYS 60 7.211 -11.171 7.275 465 1HE LYS 60 1HE LYS 60 6.461 -9.485 8.914 466 2HE LYS 60 2HE LYS 60 5.553 -10.738 9.757 467 1HZ LYS 60 1HZ LYS 60 7.712 -10.314 10.783 468 2HZ LYS 60 2HZ LYS 60 8.494 -10.743 9.346 469 3HZ LYS 60 3HZ LYS 60 7.608 -11.900 10.203 470 H LEU 61 H LEU 61 5.490 -10.242 2.650 471 HA LEU 61 HA LEU 61 4.839 -12.702 1.249 472 1HB LEU 61 1HB LEU 61 4.061 -9.913 1.086 473 2HB LEU 61 2HB LEU 61 4.377 -10.611 -0.492 474 HG LEU 61 HG LEU 61 2.740 -12.320 -0.145 475 1HD1 LEU 61 1HD1 LEU 61 3.038 -12.819 2.179 476 2HD1 LEU 61 2HD1 LEU 61 1.356 -12.350 1.926 477 3HD1 LEU 61 3HD1 LEU 61 2.492 -11.208 2.642 478 1HD2 LEU 61 1HD2 LEU 61 1.906 -10.194 -0.956 479 2HD2 LEU 61 2HD2 LEU 61 1.676 -9.634 0.700 480 3HD2 LEU 61 3HD2 LEU 61 0.708 -10.971 0.079 481 H LEU 62 H LEU 62 7.126 -10.030 0.884 482 HA LEU 62 HA LEU 62 8.082 -10.746 -1.662 483 1HB LEU 62 1HB LEU 62 9.480 -9.292 0.586 484 2HB LEU 62 2HB LEU 62 10.040 -9.356 -1.077 485 HG LEU 62 HG LEU 62 7.300 -8.314 -0.487 486 1HD1 LEU 62 1HD1 LEU 62 8.821 -7.126 1.045 487 2HD1 LEU 62 2HD1 LEU 62 8.178 -6.069 -0.211 488 3HD1 LEU 62 3HD1 LEU 62 9.831 -6.674 -0.328 489 1HD2 LEU 62 1HD2 LEU 62 7.764 -6.977 -2.494 490 2HD2 LEU 62 2HD2 LEU 62 7.927 -8.706 -2.799 491 3HD2 LEU 62 3HD2 LEU 62 9.366 -7.706 -2.601 492 H GLU 63 H GLU 63 8.322 -12.277 1.280 493 HA GLU 63 HA GLU 63 10.856 -13.612 0.784 494 1HB GLU 63 1HB GLU 63 9.665 -12.923 3.073 495 2HB GLU 63 2HB GLU 63 8.914 -14.508 2.838 496 1HG GLU 63 1HG GLU 63 11.167 -15.504 2.683 497 2HG GLU 63 2HG GLU 63 11.864 -13.921 3.021 498 H ASP 64 H ASP 64 7.414 -14.207 0.839 499 HA ASP 64 HA ASP 64 7.387 -16.975 0.605 500 1HB ASP 64 1HB ASP 64 5.436 -14.854 -0.258 501 2HB ASP 64 2HB ASP 64 5.111 -16.567 -0.507 502 H ASP 65 H ASP 65 6.218 -17.923 -1.381 503 HA ASP 65 HA ASP 65 7.262 -17.022 -3.933 504 1HB ASP 65 1HB ASP 65 9.088 -18.406 -2.881 505 2HB ASP 65 2HB ASP 65 7.991 -19.781 -2.936 506 H SER 66 H SER 66 4.640 -17.452 -2.691 507 HA SER 66 HA SER 66 3.537 -19.795 -3.985 508 1HB SER 66 1HB SER 66 2.177 -17.548 -2.482 509 2HB SER 66 2HB SER 66 1.390 -19.026 -3.033 510 HG SER 66 HG SER 66 2.646 -20.202 -1.627 511 H GLY 67 H GLY 67 4.411 -16.810 -5.076 512 1HA GLY 67 1HA GLY 67 4.108 -16.089 -7.300 513 2HA GLY 67 2HA GLY 67 2.652 -17.070 -7.398 514 H PHE 68 H PHE 68 0.689 -16.171 -6.898 515 HA PHE 68 HA PHE 68 0.252 -13.471 -7.169 516 1HB PHE 68 1HB PHE 68 -1.357 -15.648 -6.852 517 2HB PHE 68 2HB PHE 68 -1.614 -14.824 -5.320 518 HD1 PHE 68 HD1 PHE 68 -1.821 -12.078 -5.794 519 HD2 PHE 68 HD2 PHE 68 -2.987 -15.259 -8.379 520 HE1 PHE 68 HE1 PHE 68 -3.453 -10.596 -6.885 521 HE2 PHE 68 HE2 PHE 68 -4.615 -13.777 -9.473 522 HZ PHE 68 HZ PHE 68 -4.849 -11.442 -8.727 523 H VAL 69 H VAL 69 1.044 -15.300 -4.315 524 HA VAL 69 HA VAL 69 0.532 -13.237 -2.419 525 HB VAL 69 HB VAL 69 2.291 -15.682 -2.166 526 1HG1 VAL 69 1HG1 VAL 69 1.841 -15.419 0.265 527 2HG1 VAL 69 2HG1 VAL 69 1.106 -13.855 -0.086 528 3HG1 VAL 69 3HG1 VAL 69 2.815 -14.122 -0.427 529 1HG2 VAL 69 1HG2 VAL 69 0.344 -16.721 -1.097 530 2HG2 VAL 69 2HG2 VAL 69 0.017 -16.281 -2.774 531 3HG2 VAL 69 3HG2 VAL 69 -0.613 -15.286 -1.460 532 H ARG 70 H ARG 70 3.587 -14.616 -3.672 533 HA ARG 70 HA ARG 70 5.243 -12.679 -2.459 534 1HB ARG 70 1HB ARG 70 5.901 -14.971 -3.368 535 2HB ARG 70 2HB ARG 70 5.935 -14.216 -4.954 536 1HG ARG 70 1HG ARG 70 7.529 -13.091 -2.684 537 2HG ARG 70 2HG ARG 70 8.129 -14.442 -3.642 538 1HD ARG 70 1HD ARG 70 7.341 -11.730 -4.682 539 2HD ARG 70 2HD ARG 70 8.985 -12.334 -4.493 540 HE ARG 70 HE ARG 70 7.184 -12.897 -6.642 541 1HH1 ARG 70 1HH1 ARG 70 9.851 -14.162 -4.788 542 2HH1 ARG 70 2HH1 ARG 70 10.404 -15.208 -6.053 543 1HH2 ARG 70 1HH2 ARG 70 7.905 -14.269 -8.315 544 2HH2 ARG 70 2HH2 ARG 70 9.298 -15.268 -8.060 545 H SER 71 H SER 71 4.537 -13.072 -5.933 546 HA SER 71 HA SER 71 5.607 -10.693 -6.824 547 1HB SER 71 1HB SER 71 4.228 -10.943 -8.803 548 2HB SER 71 2HB SER 71 4.795 -12.532 -8.287 549 HG SER 71 HG SER 71 2.367 -11.698 -7.242 550 H GLY 72 H GLY 72 2.706 -11.200 -5.039 551 1HA GLY 72 1HA GLY 72 1.263 -8.901 -5.786 552 2HA GLY 72 2HA GLY 72 1.096 -9.760 -4.264 553 H ALA 73 H ALA 73 3.641 -9.412 -3.207 554 HA ALA 73 HA ALA 73 3.416 -6.738 -2.216 555 1HB ALA 73 1HB ALA 73 5.572 -8.783 -1.720 556 2HB ALA 73 2HB ALA 73 4.089 -8.608 -0.783 557 3HB ALA 73 3HB ALA 73 5.288 -7.316 -0.786 558 H ALA 74 H ALA 74 5.575 -8.412 -4.442 559 HA ALA 74 HA ALA 74 7.643 -6.587 -4.626 560 1HB ALA 74 1HB ALA 74 8.092 -7.512 -6.823 561 2HB ALA 74 2HB ALA 74 6.475 -8.212 -6.881 562 3HB ALA 74 3HB ALA 74 7.646 -8.795 -5.698 563 H ARG 75 H ARG 75 4.507 -6.560 -6.253 564 HA ARG 75 HA ARG 75 5.147 -4.165 -7.745 565 1HB ARG 75 1HB ARG 75 2.882 -4.358 -8.632 566 2HB ARG 75 2HB ARG 75 3.724 -5.899 -8.738 567 1HG ARG 75 1HG ARG 75 2.487 -6.815 -6.958 568 2HG ARG 75 2HG ARG 75 1.872 -5.235 -6.472 569 1HD ARG 75 1HD ARG 75 0.230 -6.674 -7.691 570 2HD ARG 75 2HD ARG 75 0.496 -5.085 -8.407 571 HE ARG 75 HE ARG 75 1.587 -7.619 -9.448 572 1HH1 ARG 75 1HH1 ARG 75 0.606 -4.303 -9.883 573 2HH1 ARG 75 2HH1 ARG 75 0.818 -4.330 -11.601 574 1HH2 ARG 75 1HH2 ARG 75 1.873 -7.664 -11.708 575 2HH2 ARG 75 2HH2 ARG 75 1.539 -6.242 -12.640 576 H SER 76 H SER 76 3.892 -4.906 -4.670 577 HA SER 76 HA SER 76 2.113 -2.741 -4.316 578 1HB SER 76 1HB SER 76 3.710 -4.283 -2.261 579 2HB SER 76 2HB SER 76 2.364 -3.201 -1.901 580 HG SER 76 HG SER 76 2.241 -5.751 -2.509 581 H LEU 77 H LEU 77 5.573 -3.098 -3.561 582 HA LEU 77 HA LEU 77 5.940 -0.679 -2.246 583 1HB LEU 77 1HB LEU 77 7.823 -2.270 -3.969 584 2HB LEU 77 2HB LEU 77 8.323 -0.843 -3.081 585 HG LEU 77 HG LEU 77 7.203 -2.240 -1.074 586 1HD1 LEU 77 1HD1 LEU 77 8.146 -4.256 -3.089 587 2HD1 LEU 77 2HD1 LEU 77 6.599 -4.183 -2.246 588 3HD1 LEU 77 3HD1 LEU 77 8.065 -4.603 -1.362 589 1HD2 LEU 77 1HD2 LEU 77 9.517 -3.017 -0.553 590 2HD2 LEU 77 2HD2 LEU 77 9.389 -1.303 -0.948 591 3HD2 LEU 77 3HD2 LEU 77 10.007 -2.440 -2.147 592 H GLU 78 H GLU 78 6.647 -1.308 -5.700 593 HA GLU 78 HA GLU 78 7.179 1.307 -6.423 594 1HB GLU 78 1HB GLU 78 6.505 0.627 -8.737 595 2HB GLU 78 2HB GLU 78 7.665 -0.446 -7.967 596 1HG GLU 78 1HG GLU 78 6.308 -2.070 -8.658 597 2HG GLU 78 2HG GLU 78 5.317 -1.613 -7.274 598 H GLN 79 H GLN 79 4.083 -0.217 -5.855 599 HA GLN 79 HA GLN 79 2.500 1.803 -7.100 600 1HB GLN 79 1HB GLN 79 1.907 -0.366 -5.102 601 2HB GLN 79 2HB GLN 79 0.690 0.831 -5.514 602 1HG GLN 79 1HG GLN 79 0.999 0.175 -7.914 603 2HG GLN 79 2HG GLN 79 1.997 -1.158 -7.344 604 1HE2 GLN 79 1HE2 GLN 79 0.368 -1.584 -4.949 605 2HE2 GLN 79 2HE2 GLN 79 -1.084 -2.342 -5.490 606 H ILE 80 H ILE 80 3.920 1.374 -3.947 607 HA ILE 80 HA ILE 80 2.465 3.538 -2.727 608 HB ILE 80 HB ILE 80 4.868 1.972 -1.776 609 1HG1 ILE 80 1HG1 ILE 80 1.994 1.848 -0.847 610 2HG1 ILE 80 2HG1 ILE 80 2.673 0.758 -2.051 611 1HG2 ILE 80 1HG2 ILE 80 3.155 3.933 -0.253 612 2HG2 ILE 80 2HG2 ILE 80 4.823 4.197 -0.762 613 3HG2 ILE 80 3HG2 ILE 80 4.450 2.945 0.423 614 1HD1 ILE 80 1HD1 ILE 80 2.617 -0.273 0.142 615 2HD1 ILE 80 2HD1 ILE 80 3.598 1.038 0.798 616 3HD1 ILE 80 3HD1 ILE 80 4.279 -0.056 -0.406 617 H GLY 81 H GLY 81 5.946 3.035 -3.386 618 1HA GLY 81 1HA GLY 81 7.596 4.509 -3.994 619 2HA GLY 81 2HA GLY 81 6.325 5.552 -4.611 620 H GLY 82 H GLY 82 8.772 5.282 -2.369 621 1HA GLY 82 1HA GLY 82 8.814 7.738 -1.345 622 2HA GLY 82 2HA GLY 82 7.545 7.011 -0.372 623 H GLU 83 H GLU 83 9.837 8.022 0.793 624 HA GLU 83 HA GLU 83 11.878 6.120 1.196 625 1HB GLU 83 1HB GLU 83 12.456 7.473 3.192 626 2HB GLU 83 2HB GLU 83 12.246 8.445 1.742 627 1HG GLU 83 1HG GLU 83 10.019 9.091 2.486 628 2HG GLU 83 2HG GLU 83 10.208 8.099 3.931 629 H ARG 84 H ARG 84 8.715 6.477 2.561 630 HA ARG 84 HA ARG 84 9.104 4.953 4.902 631 1HB ARG 84 1HB ARG 84 6.693 4.824 5.053 632 2HB ARG 84 2HB ARG 84 7.162 6.444 4.571 633 1HG ARG 84 1HG ARG 84 6.242 4.354 2.613 634 2HG ARG 84 2HG ARG 84 5.151 5.481 3.416 635 1HD ARG 84 1HD ARG 84 6.564 7.344 2.486 636 2HD ARG 84 2HD ARG 84 7.406 6.127 1.526 637 HE ARG 84 HE ARG 84 5.025 5.617 0.684 638 1HH1 ARG 84 1HH1 ARG 84 6.228 8.774 1.548 639 2HH1 ARG 84 2HH1 ARG 84 5.190 9.611 0.444 640 1HH2 ARG 84 1HH2 ARG 84 3.660 6.716 -0.773 641 2HH2 ARG 84 2HH2 ARG 84 3.731 8.443 -0.875 642 H VAL 85 H VAL 85 7.721 4.036 1.749 643 HA VAL 85 HA VAL 85 7.556 1.267 2.392 644 HB VAL 85 HB VAL 85 6.185 2.378 0.647 645 1HG1 VAL 85 1HG1 VAL 85 7.145 2.759 -1.571 646 2HG1 VAL 85 2HG1 VAL 85 8.744 2.376 -0.933 647 3HG1 VAL 85 3HG1 VAL 85 7.876 3.794 -0.345 648 1HG2 VAL 85 1HG2 VAL 85 6.324 -0.027 0.667 649 2HG2 VAL 85 2HG2 VAL 85 7.837 0.019 -0.237 650 3HG2 VAL 85 3HG2 VAL 85 6.335 0.535 -1.005 651 H ARG 86 H ARG 86 9.988 3.362 1.199 652 HA ARG 86 HA ARG 86 11.694 1.633 -0.153 653 1HB ARG 86 1HB ARG 86 11.907 4.137 0.060 654 2HB ARG 86 2HB ARG 86 12.587 3.875 1.662 655 1HG ARG 86 1HG ARG 86 14.350 2.461 0.573 656 2HG ARG 86 2HG ARG 86 13.730 3.017 -0.983 657 1HD ARG 86 1HD ARG 86 15.612 4.378 -0.342 658 2HD ARG 86 2HD ARG 86 14.141 5.348 -0.271 659 HE ARG 86 HE ARG 86 14.281 4.656 2.242 660 1HH1 ARG 86 1HH1 ARG 86 16.915 5.515 0.131 661 2HH1 ARG 86 2HH1 ARG 86 17.904 6.143 1.408 662 1HH2 ARG 86 1HH2 ARG 86 15.572 5.477 3.930 663 2HH2 ARG 86 2HH2 ARG 86 17.138 6.123 3.569 664 H ALA 87 H ALA 87 10.912 1.775 3.179 665 HA ALA 87 HA ALA 87 13.278 0.526 4.183 666 1HB ALA 87 1HB ALA 87 11.791 1.922 5.582 667 2HB ALA 87 2HB ALA 87 12.067 0.318 6.263 668 3HB ALA 87 3HB ALA 87 10.545 0.681 5.450 669 H ALA 88 H ALA 88 10.162 -0.550 2.997 670 HA ALA 88 HA ALA 88 10.224 -3.205 3.871 671 1HB ALA 88 1HB ALA 88 8.216 -2.179 2.955 672 2HB ALA 88 2HB ALA 88 8.618 -3.651 2.071 673 3HB ALA 88 3HB ALA 88 8.977 -2.075 1.367 674 H MET 89 H MET 89 11.367 -1.778 0.810 675 HA MET 89 HA MET 89 12.372 -4.242 -0.199 676 1HB MET 89 1HB MET 89 13.307 -2.979 -1.983 677 2HB MET 89 2HB MET 89 11.766 -2.241 -1.604 678 1HG MET 89 1HG MET 89 13.154 -0.432 -1.913 679 2HG MET 89 2HG MET 89 13.148 -0.622 -0.160 680 1HE MET 89 1HE MET 89 15.376 0.668 0.366 681 2HE MET 89 2HE MET 89 15.270 1.174 -1.320 682 3HE MET 89 3HE MET 89 16.795 0.568 -0.676 683 H GLU 90 H GLU 90 13.675 -1.684 1.777 684 HA GLU 90 HA GLU 90 16.408 -2.315 1.537 685 1HB GLU 90 1HB GLU 90 15.169 -0.276 2.658 686 2HB GLU 90 2HB GLU 90 15.275 -1.271 4.104 687 1HG GLU 90 1HG GLU 90 17.629 -0.471 2.409 688 2HG GLU 90 2HG GLU 90 17.110 0.370 3.870 689 H LYS 91 H LYS 91 13.838 -3.544 3.594 690 HA LYS 91 HA LYS 91 15.612 -5.196 5.157 691 1HB LYS 91 1HB LYS 91 12.596 -5.172 4.962 692 2HB LYS 91 2HB LYS 91 13.523 -6.096 6.135 693 1HG LYS 91 1HG LYS 91 13.493 -3.094 5.898 694 2HG LYS 91 2HG LYS 91 12.620 -4.045 7.100 695 1HD LYS 91 1HD LYS 91 14.662 -4.813 8.078 696 2HD LYS 91 2HD LYS 91 15.614 -4.118 6.762 697 1HE LYS 91 1HE LYS 91 13.967 -2.569 8.762 698 2HE LYS 91 2HE LYS 91 15.722 -2.744 8.789 699 1HZ LYS 91 1HZ LYS 91 15.076 -0.646 7.803 700 2HZ LYS 91 2HZ LYS 91 14.140 -1.440 6.640 701 3HZ LYS 91 3HZ LYS 91 15.821 -1.626 6.642 702 H LEU 92 H LEU 92 13.719 -5.558 2.260 703 HA LEU 92 HA LEU 92 13.907 -8.434 2.283 704 1HB LEU 92 1HB LEU 92 12.017 -7.954 1.144 705 2HB LEU 92 2HB LEU 92 12.581 -6.366 0.667 706 HG LEU 92 HG LEU 92 14.013 -7.542 -1.054 707 1HD1 LEU 92 1HD1 LEU 92 12.178 -9.842 -0.376 708 2HD1 LEU 92 2HD1 LEU 92 13.915 -9.789 -0.079 709 3HD1 LEU 92 3HD1 LEU 92 13.303 -9.782 -1.733 710 1HD2 LEU 92 1HD2 LEU 92 12.014 -6.329 -1.662 711 2HD2 LEU 92 2HD2 LEU 92 11.012 -7.717 -1.244 712 3HD2 LEU 92 3HD2 LEU 92 12.118 -7.811 -2.611 713 H ALA 93 H ALA 93 15.713 -5.726 1.158 714 HA ALA 93 HA ALA 93 17.226 -7.082 -0.847 715 1HB ALA 93 1HB ALA 93 18.673 -5.117 -0.798 716 2HB ALA 93 2HB ALA 93 17.879 -4.557 0.674 717 3HB ALA 93 3HB ALA 93 16.974 -4.646 -0.837 718 H GLU 94 H GLU 94 17.228 -7.199 2.528 719 HA GLU 94 HA GLU 94 20.050 -7.943 2.723 720 1HB GLU 94 1HB GLU 94 17.939 -7.571 4.855 721 2HB GLU 94 2HB GLU 94 19.609 -8.018 5.174 722 1HG GLU 94 1HG GLU 94 20.352 -5.908 4.168 723 2HG GLU 94 2HG GLU 94 18.668 -5.458 3.901 724 H THR 95 H THR 95 17.008 -9.369 2.318 725 HA THR 95 HA THR 95 18.148 -12.020 2.877 726 HB THR 95 HB THR 95 15.949 -12.786 3.735 727 HG1 THR 95 HG1 THR 95 15.329 -10.014 3.539 728 1HG2 THR 95 1HG2 THR 95 17.140 -10.477 5.276 729 2HG2 THR 95 2HG2 THR 95 17.686 -12.153 5.328 730 3HG2 THR 95 3HG2 THR 95 16.090 -11.725 5.947 731 H GLY 96 H GLY 96 17.482 -10.139 0.589 732 1HA GLY 96 1HA GLY 96 15.341 -11.141 -0.905 733 2HA GLY 96 2HA GLY 96 16.717 -10.268 -1.552 734 H THR 97 H THR 97 15.192 -12.502 -2.575 735 HA THR 97 HA THR 97 17.444 -14.158 -3.357 736 HB THR 97 HB THR 97 16.670 -15.438 -1.480 737 HG1 THR 97 HG1 THR 97 16.660 -16.346 -3.956 738 1HG2 THR 97 1HG2 THR 97 14.349 -16.242 -1.312 739 2HG2 THR 97 2HG2 THR 97 13.921 -15.274 -2.722 740 3HG2 THR 97 3HG2 THR 97 14.443 -14.482 -1.235 741 H GLY 98 H GLY 98 17.345 -14.639 -5.462 742 1HA GLY 98 1HA GLY 98 16.568 -14.775 -7.614 743 2HA GLY 98 2HA GLY 98 15.071 -15.363 -6.910 744 H PHE 99 H PHE 99 13.459 -14.302 -7.821 745 HA PHE 99 HA PHE 99 13.603 -11.773 -9.013 746 1HB PHE 99 1HB PHE 99 11.882 -13.302 -9.668 747 2HB PHE 99 2HB PHE 99 11.261 -13.403 -8.026 748 HD1 PHE 99 HD1 PHE 99 11.681 -11.070 -10.885 749 HD2 PHE 99 HD2 PHE 99 9.563 -11.985 -7.311 750 HE1 PHE 99 HE1 PHE 99 10.060 -9.288 -11.391 751 HE2 PHE 99 HE2 PHE 99 7.940 -10.208 -7.809 752 HZ PHE 99 HZ PHE 99 8.186 -8.855 -9.851 753 H ALA 100 H ALA 100 12.324 -12.732 -5.837 754 HA ALA 100 HA ALA 100 11.326 -10.330 -4.943 755 1HB ALA 100 1HB ALA 100 11.107 -12.426 -3.716 756 2HB ALA 100 2HB ALA 100 11.735 -11.145 -2.680 757 3HB ALA 100 3HB ALA 100 12.824 -12.377 -3.315 758 H ARG 101 H ARG 101 14.684 -11.431 -4.891 759 HA ARG 101 HA ARG 101 15.777 -9.327 -3.391 760 1HB ARG 101 1HB ARG 101 17.016 -11.363 -3.822 761 2HB ARG 101 2HB ARG 101 16.980 -11.054 -5.551 762 1HG ARG 101 1HG ARG 101 19.155 -10.514 -4.780 763 2HG ARG 101 2HG ARG 101 18.331 -8.991 -5.124 764 1HD ARG 101 1HD ARG 101 17.915 -8.619 -2.794 765 2HD ARG 101 2HD ARG 101 18.512 -10.226 -2.382 766 HE ARG 101 HE ARG 101 20.329 -8.293 -3.632 767 1HH1 ARG 101 1HH1 ARG 101 19.388 -10.209 -0.878 768 2HH1 ARG 101 2HH1 ARG 101 20.885 -9.972 -0.039 769 1HH2 ARG 101 1HH2 ARG 101 22.304 -7.977 -2.533 770 2HH2 ARG 101 2HH2 ARG 101 22.540 -8.704 -0.979 771 H LYS 102 H LYS 102 15.933 -9.785 -6.925 772 HA LYS 102 HA LYS 102 16.997 -7.323 -7.595 773 1HB LYS 102 1HB LYS 102 16.823 -9.153 -9.189 774 2HB LYS 102 2HB LYS 102 15.069 -9.043 -9.165 775 1HG LYS 102 1HG LYS 102 15.192 -6.818 -10.164 776 2HG LYS 102 2HG LYS 102 16.953 -6.923 -10.178 777 1HD LYS 102 1HD LYS 102 15.180 -8.917 -11.570 778 2HD LYS 102 2HD LYS 102 15.792 -7.463 -12.359 779 1HE LYS 102 1HE LYS 102 18.076 -8.184 -11.969 780 2HE LYS 102 2HE LYS 102 17.503 -9.600 -11.090 781 1HZ LYS 102 1HZ LYS 102 16.894 -9.052 -13.944 782 2HZ LYS 102 2HZ LYS 102 16.539 -10.464 -13.083 783 3HZ LYS 102 3HZ LYS 102 18.147 -10.059 -13.416 784 H VAL 103 H VAL 103 13.755 -8.146 -6.700 785 HA VAL 103 HA VAL 103 12.393 -5.935 -7.777 786 HB VAL 103 HB VAL 103 11.813 -7.825 -5.520 787 1HG1 VAL 103 1HG1 VAL 103 9.577 -6.805 -5.306 788 2HG1 VAL 103 2HG1 VAL 103 10.082 -5.500 -6.380 789 3HG1 VAL 103 3HG1 VAL 103 10.859 -5.701 -4.808 790 1HG2 VAL 103 1HG2 VAL 103 10.076 -8.612 -6.984 791 2HG2 VAL 103 2HG2 VAL 103 11.592 -8.545 -7.884 792 3HG2 VAL 103 3HG2 VAL 103 10.373 -7.291 -8.113 793 H ALA 104 H ALA 104 13.868 -6.430 -4.577 794 HA ALA 104 HA ALA 104 13.023 -4.015 -3.432 795 1HB ALA 104 1HB ALA 104 15.359 -5.808 -2.824 796 2HB ALA 104 2HB ALA 104 13.797 -5.739 -2.009 797 3HB ALA 104 3HB ALA 104 14.934 -4.403 -1.847 798 H VAL 105 H VAL 105 16.236 -4.822 -4.714 799 HA VAL 105 HA VAL 105 17.285 -2.229 -4.445 800 HB VAL 105 HB VAL 105 18.747 -4.144 -4.564 801 1HG1 VAL 105 1HG1 VAL 105 19.105 -5.426 -6.562 802 2HG1 VAL 105 2HG1 VAL 105 17.962 -4.426 -7.457 803 3HG1 VAL 105 3HG1 VAL 105 17.390 -5.466 -6.152 804 1HG2 VAL 105 1HG2 VAL 105 20.384 -3.305 -6.223 805 2HG2 VAL 105 2HG2 VAL 105 19.713 -2.031 -5.204 806 3HG2 VAL 105 3HG2 VAL 105 19.138 -2.230 -6.859 807 H ASN 106 H ASN 106 16.168 -3.911 -7.399 808 HA ASN 106 HA ASN 106 16.674 -1.840 -9.180 809 1HB ASN 106 1HB ASN 106 16.066 -4.115 -9.882 810 2HB ASN 106 2HB ASN 106 14.421 -3.851 -9.310 811 1HD2 ASN 106 1HD2 ASN 106 16.775 -3.077 -11.741 812 2HD2 ASN 106 2HD2 ASN 106 15.677 -2.361 -12.866 813 H TYR 107 H TYR 107 14.003 -2.256 -6.951 814 HA TYR 107 HA TYR 107 12.191 -0.460 -8.101 815 1HB TYR 107 1HB TYR 107 11.269 -1.823 -6.462 816 2HB TYR 107 2HB TYR 107 12.616 -1.577 -5.358 817 HD1 TYR 107 HD1 TYR 107 12.221 -0.331 -3.521 818 HD2 TYR 107 HD2 TYR 107 9.960 0.481 -7.016 819 HE1 TYR 107 HE1 TYR 107 10.983 1.408 -2.299 820 HE2 TYR 107 HE2 TYR 107 8.706 2.221 -5.815 821 HH TYR 107 HH TYR 107 9.686 3.435 -2.803 822 H LEU 108 H LEU 108 15.040 0.017 -6.167 823 HA LEU 108 HA LEU 108 14.662 2.531 -5.113 824 1HB LEU 108 1HB LEU 108 17.047 1.028 -6.061 825 2HB LEU 108 2HB LEU 108 17.240 2.722 -5.677 826 HG LEU 108 HG LEU 108 16.081 0.735 -3.735 827 1HD1 LEU 108 1HD1 LEU 108 18.265 -0.061 -4.110 828 2HD1 LEU 108 2HD1 LEU 108 18.364 0.926 -2.651 829 3HD1 LEU 108 3HD1 LEU 108 18.930 1.571 -4.191 830 1HD2 LEU 108 1HD2 LEU 108 15.514 3.046 -3.280 831 2HD2 LEU 108 2HD2 LEU 108 17.210 3.513 -3.409 832 3HD2 LEU 108 3HD2 LEU 108 16.681 2.466 -2.092 833 H GLU 109 H GLU 109 15.021 1.654 -8.426 834 HA GLU 109 HA GLU 109 15.919 4.175 -9.396 835 1HB GLU 109 1HB GLU 109 14.656 1.778 -10.690 836 2HB GLU 109 2HB GLU 109 14.936 3.254 -11.604 837 1HG GLU 109 1HG GLU 109 16.746 1.713 -11.961 838 2HG GLU 109 2HG GLU 109 17.325 3.119 -11.069 839 H THR 110 H THR 110 13.174 3.561 -7.816 840 HA THR 110 HA THR 110 11.498 5.299 -9.493 841 HB THR 110 HB THR 110 10.660 3.591 -7.144 842 HG1 THR 110 HG1 THR 110 11.295 2.392 -9.040 843 1HG2 THR 110 1HG2 THR 110 9.173 5.466 -7.407 844 2HG2 THR 110 2HG2 THR 110 8.368 4.026 -8.033 845 3HG2 THR 110 3HG2 THR 110 9.074 5.198 -9.146 846 H HIS 111 H HIS 111 12.104 4.748 -6.015 847 HA HIS 111 HA HIS 111 11.542 7.572 -5.511 848 1HB HIS 111 1HB HIS 111 10.385 6.043 -4.042 849 2HB HIS 111 2HB HIS 111 11.890 5.224 -3.636 850 HD1 HIS 111 HD1 HIS 111 10.298 8.651 -3.225 851 HD2 HIS 111 HD2 HIS 111 13.100 6.182 -1.405 852 HE1 HIS 111 HE1 HIS 111 10.964 9.835 -1.109 853 HE2 HIS 111 HE2 HIS 111 12.731 8.367 -0.074 Start of MODEL 15 1 H MET 1 H MET 1 -12.389 10.681 18.570 2 HA MET 1 HA MET 1 -11.191 8.624 18.265 3 1HB MET 1 1HB MET 1 -10.845 8.142 20.660 4 2HB MET 1 2HB MET 1 -12.560 7.794 20.834 5 1HG MET 1 1HG MET 1 -12.325 5.938 19.244 6 2HG MET 1 2HG MET 1 -10.599 6.273 19.130 7 1HE MET 1 1HE MET 1 -11.710 3.376 19.855 8 2HE MET 1 2HE MET 1 -10.592 2.948 21.150 9 3HE MET 1 3HE MET 1 -10.004 3.802 19.724 10 H ALA 2 H ALA 2 -14.444 9.237 19.445 11 HA ALA 2 HA ALA 2 -15.599 7.188 17.750 12 1HB ALA 2 1HB ALA 2 -16.533 7.645 19.980 13 2HB ALA 2 2HB ALA 2 -17.725 7.860 18.699 14 3HB ALA 2 3HB ALA 2 -16.972 9.268 19.448 15 H ASP 3 H ASP 3 -14.726 10.462 17.480 16 HA ASP 3 HA ASP 3 -16.695 11.118 15.454 17 1HB ASP 3 1HB ASP 3 -14.292 12.672 16.440 18 2HB ASP 3 2HB ASP 3 -15.535 13.289 15.354 19 H GLU 4 H GLU 4 -13.342 10.135 15.643 20 HA GLU 4 HA GLU 4 -12.837 10.657 12.846 21 1HB GLU 4 1HB GLU 4 -10.634 9.655 13.283 22 2HB GLU 4 2HB GLU 4 -11.021 10.912 14.450 23 1HG GLU 4 1HG GLU 4 -11.611 9.234 16.098 24 2HG GLU 4 2HG GLU 4 -11.301 7.953 14.926 25 H ASN 5 H ASN 5 -14.350 8.231 14.588 26 HA ASN 5 HA ASN 5 -14.519 6.543 12.262 27 1HB ASN 5 1HB ASN 5 -12.411 5.766 13.317 28 2HB ASN 5 2HB ASN 5 -13.303 5.416 14.794 29 1HD2 ASN 5 1HD2 ASN 5 -14.693 3.663 14.858 30 2HD2 ASN 5 2HD2 ASN 5 -14.665 2.418 13.660 31 H LYS 6 H LYS 6 -16.505 5.732 12.152 32 HA LYS 6 HA LYS 6 -18.018 5.362 14.650 33 1HB LYS 6 1HB LYS 6 -18.813 7.391 13.564 34 2HB LYS 6 2HB LYS 6 -19.037 6.526 12.050 35 1HG LYS 6 1HG LYS 6 -20.775 5.159 13.083 36 2HG LYS 6 2HG LYS 6 -20.543 6.011 14.609 37 1HD LYS 6 1HD LYS 6 -21.294 7.399 12.045 38 2HD LYS 6 2HD LYS 6 -22.485 6.792 13.196 39 1HE LYS 6 1HE LYS 6 -21.572 8.223 14.932 40 2HE LYS 6 2HE LYS 6 -20.313 8.787 13.832 41 1HZ LYS 6 1HZ LYS 6 -22.019 9.762 12.432 42 2HZ LYS 6 2HZ LYS 6 -22.132 10.372 14.005 43 3HZ LYS 6 3HZ LYS 6 -23.233 9.204 13.469 44 H TRP 7 H TRP 7 -17.243 4.266 11.449 45 HA TRP 7 HA TRP 7 -18.296 1.643 12.078 46 1HB TRP 7 1HB TRP 7 -19.554 1.477 9.933 47 2HB TRP 7 2HB TRP 7 -20.255 2.621 11.069 48 HD1 TRP 7 HD1 TRP 7 -19.102 5.300 10.530 49 HE1 TRP 7 HE1 TRP 7 -19.152 6.458 8.232 50 HE3 TRP 7 HE3 TRP 7 -19.754 1.188 7.558 51 HZ2 TRP 7 HZ2 TRP 7 -19.433 5.729 5.522 52 HZ3 TRP 7 HZ3 TRP 7 -19.907 1.508 5.123 53 HH2 TRP 7 HH2 TRP 7 -19.751 3.732 4.128 54 H VAL 8 H VAL 8 -16.816 0.210 11.518 55 HA VAL 8 HA VAL 8 -15.116 0.758 9.176 56 HB VAL 8 HB VAL 8 -13.702 1.204 11.026 57 1HG1 VAL 8 1HG1 VAL 8 -14.601 -1.410 12.229 58 2HG1 VAL 8 2HG1 VAL 8 -15.099 0.194 12.763 59 3HG1 VAL 8 3HG1 VAL 8 -13.413 -0.302 12.915 60 1HG2 VAL 8 1HG2 VAL 8 -12.698 -0.196 9.276 61 2HG2 VAL 8 2HG2 VAL 8 -13.170 -1.640 10.168 62 3HG2 VAL 8 3HG2 VAL 8 -11.995 -0.522 10.859 63 H ARG 9 H ARG 9 -16.354 -1.731 11.394 64 HA ARG 9 HA ARG 9 -15.988 -3.719 9.255 65 1HB ARG 9 1HB ARG 9 -14.843 -4.128 11.460 66 2HB ARG 9 2HB ARG 9 -16.435 -4.262 12.191 67 1HG ARG 9 1HG ARG 9 -16.936 -6.154 10.700 68 2HG ARG 9 2HG ARG 9 -15.305 -6.036 10.037 69 1HD ARG 9 1HD ARG 9 -14.613 -7.386 11.661 70 2HD ARG 9 2HD ARG 9 -14.991 -6.109 12.817 71 HE ARG 9 HE ARG 9 -17.142 -7.914 12.013 72 1HH1 ARG 9 1HH1 ARG 9 -14.839 -6.901 14.426 73 2HH1 ARG 9 2HH1 ARG 9 -15.643 -7.722 15.722 74 1HH2 ARG 9 1HH2 ARG 9 -18.203 -8.998 13.711 75 2HH2 ARG 9 2HH2 ARG 9 -17.555 -8.916 15.315 76 H ARG 10 H ARG 10 -18.313 -1.969 11.019 77 HA ARG 10 HA ARG 10 -20.492 -3.678 11.091 78 1HB ARG 10 1HB ARG 10 -20.570 -1.465 12.098 79 2HB ARG 10 2HB ARG 10 -20.429 -0.707 10.517 80 1HG ARG 10 1HG ARG 10 -22.600 -1.591 9.880 81 2HG ARG 10 2HG ARG 10 -22.739 -2.405 11.440 82 1HD ARG 10 1HD ARG 10 -24.014 -0.342 11.454 83 2HD ARG 10 2HD ARG 10 -22.653 -0.225 12.568 84 HE ARG 10 HE ARG 10 -21.642 0.870 10.341 85 1HH1 ARG 10 1HH1 ARG 10 -24.648 1.394 12.025 86 2HH1 ARG 10 2HH1 ARG 10 -24.772 3.056 11.554 87 1HH2 ARG 10 1HH2 ARG 10 -21.798 3.058 9.715 88 2HH2 ARG 10 2HH2 ARG 10 -23.152 4.001 10.240 89 H ASP 11 H ASP 11 -21.275 -4.878 9.504 90 HA ASP 11 HA ASP 11 -22.241 -5.462 7.523 91 1HB ASP 11 1HB ASP 11 -23.226 -3.174 7.517 92 2HB ASP 11 2HB ASP 11 -21.801 -2.602 6.653 93 H VAL 12 H VAL 12 -19.169 -3.984 7.752 94 HA VAL 12 HA VAL 12 -18.314 -4.730 5.085 95 HB VAL 12 HB VAL 12 -16.670 -3.693 7.401 96 1HG1 VAL 12 1HG1 VAL 12 -16.039 -3.933 4.460 97 2HG1 VAL 12 2HG1 VAL 12 -15.305 -4.854 5.773 98 3HG1 VAL 12 3HG1 VAL 12 -15.029 -3.117 5.653 99 1HG2 VAL 12 1HG2 VAL 12 -17.752 -2.169 5.034 100 2HG2 VAL 12 2HG2 VAL 12 -16.838 -1.518 6.395 101 3HG2 VAL 12 3HG2 VAL 12 -18.466 -2.147 6.646 102 H SER 13 H SER 13 -17.489 -6.633 4.547 103 HA SER 13 HA SER 13 -15.857 -8.180 6.325 104 1HB SER 13 1HB SER 13 -18.083 -8.816 7.161 105 2HB SER 13 2HB SER 13 -18.564 -9.286 5.530 106 HG SER 13 HG SER 13 -16.969 -10.605 7.357 107 H THR 14 H THR 14 -17.352 -7.548 3.313 108 HA THR 14 HA THR 14 -15.295 -9.100 1.936 109 HB THR 14 HB THR 14 -18.131 -9.263 0.945 110 HG1 THR 14 HG1 THR 14 -18.430 -10.337 2.794 111 1HG2 THR 14 1HG2 THR 14 -16.402 -9.877 -0.634 112 2HG2 THR 14 2HG2 THR 14 -17.260 -11.329 -0.118 113 3HG2 THR 14 3HG2 THR 14 -15.667 -10.963 0.546 114 H ALA 15 H ALA 15 -16.541 -6.247 2.482 115 HA ALA 15 HA ALA 15 -16.880 -5.275 -0.229 116 1HB ALA 15 1HB ALA 15 -16.922 -3.797 2.399 117 2HB ALA 15 2HB ALA 15 -18.327 -4.414 1.530 118 3HB ALA 15 3HB ALA 15 -17.354 -3.121 0.829 119 H LEU 16 H LEU 16 -14.260 -5.998 1.619 120 HA LEU 16 HA LEU 16 -12.554 -3.828 1.503 121 1HB LEU 16 1HB LEU 16 -10.715 -5.394 1.616 122 2HB LEU 16 2HB LEU 16 -12.017 -5.911 2.670 123 HG LEU 16 HG LEU 16 -11.836 -7.067 -0.082 124 1HD1 LEU 16 1HD1 LEU 16 -10.166 -7.905 2.284 125 2HD1 LEU 16 2HD1 LEU 16 -9.580 -7.295 0.736 126 3HD1 LEU 16 3HD1 LEU 16 -10.391 -8.859 0.818 127 1HD2 LEU 16 1HD2 LEU 16 -12.767 -9.026 1.099 128 2HD2 LEU 16 2HD2 LEU 16 -13.782 -7.593 1.250 129 3HD2 LEU 16 3HD2 LEU 16 -12.762 -8.096 2.598 130 H SER 17 H SER 17 -13.896 -5.522 -1.095 131 HA SER 17 HA SER 17 -11.926 -5.463 -3.044 132 1HB SER 17 1HB SER 17 -14.089 -6.558 -3.382 133 2HB SER 17 2HB SER 17 -14.893 -4.989 -3.381 134 HG SER 17 HG SER 17 -14.036 -6.191 -5.462 135 H ARG 18 H ARG 18 -13.995 -2.861 -1.889 136 HA ARG 18 HA ARG 18 -12.181 -0.887 -2.785 137 1HB ARG 18 1HB ARG 18 -13.225 -1.593 -4.957 138 2HB ARG 18 2HB ARG 18 -14.761 -0.997 -4.344 139 1HG ARG 18 1HG ARG 18 -13.823 0.672 -5.741 140 2HG ARG 18 2HG ARG 18 -13.711 1.233 -4.072 141 1HD ARG 18 1HD ARG 18 -11.367 0.506 -4.002 142 2HD ARG 18 2HD ARG 18 -11.487 -0.013 -5.683 143 HE ARG 18 HE ARG 18 -12.086 2.779 -5.102 144 1HH1 ARG 18 1HH1 ARG 18 -9.819 0.413 -6.284 145 2HH1 ARG 18 2HH1 ARG 18 -8.857 1.571 -7.139 146 1HH2 ARG 18 1HH2 ARG 18 -10.825 4.312 -6.226 147 2HH2 ARG 18 2HH2 ARG 18 -9.428 3.788 -7.106 148 H MET 19 H MET 19 -12.562 -0.439 -0.527 149 HA MET 19 HA MET 19 -14.897 1.306 -0.167 150 1HB MET 19 1HB MET 19 -13.944 -0.873 1.671 151 2HB MET 19 2HB MET 19 -14.873 0.489 2.279 152 1HG MET 19 1HG MET 19 -15.760 -1.444 0.150 153 2HG MET 19 2HG MET 19 -16.288 -1.439 1.831 154 1HE MET 19 1HE MET 19 -18.217 -1.401 -0.737 155 2HE MET 19 2HE MET 19 -19.437 -0.235 -0.226 156 3HE MET 19 3HE MET 19 -18.831 -1.435 0.916 157 H GLY 20 H GLY 20 -11.693 0.360 1.015 158 1HA GLY 20 1HA GLY 20 -9.912 1.702 1.607 159 2HA GLY 20 2HA GLY 20 -10.878 3.105 1.188 160 H ASP 21 H ASP 21 -9.095 2.477 3.490 161 HA ASP 21 HA ASP 21 -8.954 2.951 5.700 162 1HB ASP 21 1HB ASP 21 -10.262 4.976 4.968 163 2HB ASP 21 2HB ASP 21 -11.728 4.122 5.453 164 H GLU 22 H GLU 22 -12.467 2.526 5.664 165 HA GLU 22 HA GLU 22 -12.489 0.856 7.921 166 1HB GLU 22 1HB GLU 22 -14.837 0.490 7.418 167 2HB GLU 22 2HB GLU 22 -14.429 2.182 7.172 168 1HG GLU 22 1HG GLU 22 -14.247 1.742 4.746 169 2HG GLU 22 2HG GLU 22 -14.777 0.087 5.044 170 H ALA 23 H ALA 23 -11.607 0.183 4.746 171 HA ALA 23 HA ALA 23 -12.294 -2.656 4.966 172 1HB ALA 23 1HB ALA 23 -11.339 -1.025 2.622 173 2HB ALA 23 2HB ALA 23 -12.963 -1.658 2.893 174 3HB ALA 23 3HB ALA 23 -11.626 -2.764 2.578 175 H PHE 24 H PHE 24 -9.756 -0.635 5.672 176 HA PHE 24 HA PHE 24 -7.495 -1.988 4.745 177 1HB PHE 24 1HB PHE 24 -7.807 0.300 6.027 178 2HB PHE 24 2HB PHE 24 -7.487 -0.700 7.439 179 HD1 PHE 24 HD1 PHE 24 -5.454 -2.538 6.599 180 HD2 PHE 24 HD2 PHE 24 -5.956 1.558 5.569 181 HE1 PHE 24 HE1 PHE 24 -3.045 -2.352 6.186 182 HE2 PHE 24 HE2 PHE 24 -3.546 1.752 5.154 183 HZ PHE 24 HZ PHE 24 -2.081 -0.203 5.460 184 H GLU 25 H GLU 25 -9.234 -2.291 7.823 185 HA GLU 25 HA GLU 25 -7.606 -4.306 8.895 186 1HB GLU 25 1HB GLU 25 -10.237 -3.153 9.535 187 2HB GLU 25 2HB GLU 25 -9.950 -4.790 10.102 188 1HG GLU 25 1HG GLU 25 -7.872 -3.998 11.194 189 2HG GLU 25 2HG GLU 25 -8.291 -2.356 10.709 190 HA PRO 26 HA PRO 26 -10.992 -7.551 7.504 191 1HB PRO 26 1HB PRO 26 -12.379 -6.745 5.241 192 2HB PRO 26 2HB PRO 26 -13.025 -6.724 6.884 193 1HG PRO 26 1HG PRO 26 -11.848 -4.499 5.278 194 2HG PRO 26 2HG PRO 26 -13.235 -4.475 6.382 195 1HD PRO 26 1HD PRO 26 -10.851 -3.497 7.115 196 2HD PRO 26 2HD PRO 26 -11.888 -4.362 8.270 197 H LEU 27 H LEU 27 -9.075 -5.447 5.676 198 HA LEU 27 HA LEU 27 -8.579 -7.218 3.457 199 1HB LEU 27 1HB LEU 27 -8.266 -5.120 2.682 200 2HB LEU 27 2HB LEU 27 -7.973 -4.482 4.290 201 HG LEU 27 HG LEU 27 -5.628 -5.388 4.109 202 1HD1 LEU 27 1HD1 LEU 27 -6.016 -7.011 2.330 203 2HD1 LEU 27 2HD1 LEU 27 -4.775 -5.848 1.867 204 3HD1 LEU 27 3HD1 LEU 27 -6.406 -5.704 1.213 205 1HD2 LEU 27 1HD2 LEU 27 -6.567 -3.287 2.162 206 2HD2 LEU 27 2HD2 LEU 27 -4.889 -3.531 2.643 207 3HD2 LEU 27 3HD2 LEU 27 -6.085 -3.039 3.841 208 H LEU 28 H LEU 28 -7.019 -6.177 6.422 209 HA LEU 28 HA LEU 28 -4.684 -7.834 5.992 210 1HB LEU 28 1HB LEU 28 -4.104 -5.877 7.077 211 2HB LEU 28 2HB LEU 28 -5.575 -5.843 8.028 212 HG LEU 28 HG LEU 28 -4.680 -7.698 9.417 213 1HD1 LEU 28 1HD1 LEU 28 -2.128 -7.208 7.880 214 2HD1 LEU 28 2HD1 LEU 28 -3.143 -8.643 7.744 215 3HD1 LEU 28 3HD1 LEU 28 -2.328 -8.283 9.265 216 1HD2 LEU 28 1HD2 LEU 28 -4.461 -5.406 10.166 217 2HD2 LEU 28 2HD2 LEU 28 -2.973 -5.218 9.237 218 3HD2 LEU 28 3HD2 LEU 28 -3.022 -6.326 10.608 219 H GLU 29 H GLU 29 -7.771 -8.073 7.457 220 HA GLU 29 HA GLU 29 -7.129 -10.111 9.361 221 1HB GLU 29 1HB GLU 29 -9.737 -9.072 8.263 222 2HB GLU 29 2HB GLU 29 -9.656 -10.382 9.432 223 1HG GLU 29 1HG GLU 29 -8.532 -7.625 9.872 224 2HG GLU 29 2HG GLU 29 -10.109 -8.174 10.438 225 H SER 30 H SER 30 -8.382 -9.997 6.081 226 HA SER 30 HA SER 30 -9.101 -12.715 5.854 227 1HB SER 30 1HB SER 30 -9.009 -12.290 3.398 228 2HB SER 30 2HB SER 30 -9.947 -11.083 4.277 229 HG SER 30 HG SER 30 -8.622 -9.633 3.561 230 H LEU 31 H LEU 31 -6.047 -11.104 5.734 231 HA LEU 31 HA LEU 31 -4.565 -12.886 4.175 232 1HB LEU 31 1HB LEU 31 -3.754 -11.153 6.503 233 2HB LEU 31 2HB LEU 31 -2.605 -12.059 5.537 234 HG LEU 31 HG LEU 31 -4.438 -9.904 4.477 235 1HD1 LEU 31 1HD1 LEU 31 -2.448 -8.536 4.308 236 2HD1 LEU 31 2HD1 LEU 31 -1.468 -9.833 4.992 237 3HD1 LEU 31 3HD1 LEU 31 -2.695 -9.039 5.980 238 1HD2 LEU 31 1HD2 LEU 31 -2.180 -11.412 3.160 239 2HD2 LEU 31 2HD2 LEU 31 -3.087 -10.078 2.447 240 3HD2 LEU 31 3HD2 LEU 31 -3.897 -11.601 2.808 241 H SER 32 H SER 32 -6.151 -13.538 7.035 242 HA SER 32 HA SER 32 -4.223 -15.484 8.014 243 1HB SER 32 1HB SER 32 -5.827 -15.839 9.842 244 2HB SER 32 2HB SER 32 -5.476 -14.124 9.636 245 HG SER 32 HG SER 32 -7.827 -15.233 9.663 246 H ASN 33 H ASN 33 -5.779 -15.696 5.387 247 HA ASN 33 HA ASN 33 -7.370 -18.084 5.833 248 1HB ASN 33 1HB ASN 33 -7.590 -17.941 3.261 249 2HB ASN 33 2HB ASN 33 -8.380 -16.714 4.238 250 1HD2 ASN 33 1HD2 ASN 33 -4.929 -16.738 3.754 251 2HD2 ASN 33 2HD2 ASN 33 -4.871 -15.348 2.738 252 H GLU 34 H GLU 34 -6.945 -20.116 4.960 253 HA GLU 34 HA GLU 34 -4.216 -20.888 4.931 254 1HB GLU 34 1HB GLU 34 -6.673 -22.420 4.055 255 2HB GLU 34 2HB GLU 34 -5.080 -23.121 4.307 256 1HG GLU 34 1HG GLU 34 -5.180 -22.455 6.669 257 2HG GLU 34 2HG GLU 34 -6.799 -21.811 6.403 258 H ASP 35 H ASP 35 -6.449 -19.895 2.488 259 HA ASP 35 HA ASP 35 -5.021 -21.001 0.262 260 1HB ASP 35 1HB ASP 35 -7.092 -18.794 0.329 261 2HB ASP 35 2HB ASP 35 -6.539 -19.646 -1.110 262 H TRP 36 H TRP 36 -4.092 -19.646 -1.461 263 HA TRP 36 HA TRP 36 -2.587 -17.396 -0.311 264 1HB TRP 36 1HB TRP 36 -1.036 -17.913 -2.337 265 2HB TRP 36 2HB TRP 36 -0.976 -18.957 -0.921 266 HD1 TRP 36 HD1 TRP 36 -2.912 -18.936 -4.299 267 HE1 TRP 36 HE1 TRP 36 -3.013 -21.364 -5.154 268 HE3 TRP 36 HE3 TRP 36 -0.495 -21.270 -0.442 269 HZ2 TRP 36 HZ2 TRP 36 -2.184 -23.917 -4.314 270 HZ3 TRP 36 HZ3 TRP 36 -0.190 -23.710 -0.549 271 HH2 TRP 36 HH2 TRP 36 -1.021 -25.002 -2.448 272 H ARG 37 H ARG 37 -4.715 -18.385 -2.865 273 HA ARG 37 HA ARG 37 -4.303 -16.349 -4.722 274 1HB ARG 37 1HB ARG 37 -5.697 -18.355 -5.122 275 2HB ARG 37 2HB ARG 37 -6.908 -17.717 -4.018 276 1HG ARG 37 1HG ARG 37 -7.156 -15.755 -5.508 277 2HG ARG 37 2HG ARG 37 -6.048 -16.528 -6.641 278 1HD ARG 37 1HD ARG 37 -7.583 -18.439 -6.815 279 2HD ARG 37 2HD ARG 37 -8.694 -17.633 -5.709 280 HE ARG 37 HE ARG 37 -8.760 -15.827 -7.484 281 1HH1 ARG 37 1HH1 ARG 37 -8.169 -19.182 -8.220 282 2HH1 ARG 37 2HH1 ARG 37 -8.807 -19.074 -9.827 283 1HH2 ARG 37 1HH2 ARG 37 -9.601 -15.677 -9.597 284 2HH2 ARG 37 2HH2 ARG 37 -9.620 -17.082 -10.610 285 H ILE 38 H ILE 38 -6.545 -16.487 -1.958 286 HA ILE 38 HA ILE 38 -7.750 -14.002 -2.301 287 HB ILE 38 HB ILE 38 -7.097 -15.245 0.368 288 1HG1 ILE 38 1HG1 ILE 38 -8.165 -16.890 -1.136 289 2HG1 ILE 38 2HG1 ILE 38 -9.216 -16.442 0.202 290 1HG2 ILE 38 1HG2 ILE 38 -7.931 -12.940 0.441 291 2HG2 ILE 38 2HG2 ILE 38 -9.082 -14.077 1.142 292 3HG2 ILE 38 3HG2 ILE 38 -9.354 -13.433 -0.477 293 1HD1 ILE 38 1HD1 ILE 38 -9.407 -15.319 -2.584 294 2HD1 ILE 38 2HD1 ILE 38 -10.513 -15.017 -1.243 295 3HD1 ILE 38 3HD1 ILE 38 -10.399 -16.631 -1.945 296 H ARG 39 H ARG 39 -4.884 -14.851 -0.355 297 HA ARG 39 HA ARG 39 -4.241 -12.343 0.610 298 1HB ARG 39 1HB ARG 39 -2.489 -14.655 -0.199 299 2HB ARG 39 2HB ARG 39 -1.816 -13.182 0.480 300 1HG ARG 39 1HG ARG 39 -3.467 -13.584 2.417 301 2HG ARG 39 2HG ARG 39 -3.569 -15.225 1.777 302 1HD ARG 39 1HD ARG 39 -1.094 -15.377 1.925 303 2HD ARG 39 2HD ARG 39 -1.080 -13.792 2.697 304 HE ARG 39 HE ARG 39 -2.804 -15.571 4.077 305 1HH1 ARG 39 1HH1 ARG 39 0.561 -14.812 3.578 306 2HH1 ARG 39 2HH1 ARG 39 1.067 -15.465 5.100 307 1HH2 ARG 39 1HH2 ARG 39 -2.144 -16.434 6.085 308 2HH2 ARG 39 2HH2 ARG 39 -0.469 -16.387 6.524 309 H GLY 40 H GLY 40 -4.017 -13.552 -2.618 310 1HA GLY 40 1HA GLY 40 -2.047 -11.859 -3.676 311 2HA GLY 40 2HA GLY 40 -3.364 -12.579 -4.590 312 H ALA 41 H ALA 41 -5.559 -11.455 -4.152 313 HA ALA 41 HA ALA 41 -5.463 -8.866 -5.125 314 1HB ALA 41 1HB ALA 41 -7.807 -8.727 -4.693 315 2HB ALA 41 2HB ALA 41 -7.712 -9.988 -3.464 316 3HB ALA 41 3HB ALA 41 -7.443 -10.389 -5.161 317 H ALA 42 H ALA 42 -5.747 -9.978 -1.774 318 HA ALA 42 HA ALA 42 -6.169 -7.505 -0.544 319 1HB ALA 42 1HB ALA 42 -4.684 -9.896 0.546 320 2HB ALA 42 2HB ALA 42 -6.426 -9.633 0.625 321 3HB ALA 42 3HB ALA 42 -5.332 -8.560 1.497 322 H ALA 43 H ALA 43 -3.109 -9.259 -0.996 323 HA ALA 43 HA ALA 43 -1.388 -7.262 -0.040 324 1HB ALA 43 1HB ALA 43 -0.656 -9.545 -0.335 325 2HB ALA 43 2HB ALA 43 0.357 -8.473 -1.303 326 3HB ALA 43 3HB ALA 43 -0.903 -9.435 -2.077 327 H TRP 44 H TRP 44 -2.827 -7.834 -3.186 328 HA TRP 44 HA TRP 44 -1.227 -6.024 -4.660 329 1HB TRP 44 1HB TRP 44 -3.739 -7.545 -5.143 330 2HB TRP 44 2HB TRP 44 -3.387 -6.191 -6.211 331 HD1 TRP 44 HD1 TRP 44 -1.177 -9.059 -4.798 332 HE1 TRP 44 HE1 TRP 44 0.153 -10.073 -6.751 333 HE3 TRP 44 HE3 TRP 44 -3.015 -6.189 -8.610 334 HZ2 TRP 44 HZ2 TRP 44 0.399 -9.708 -9.532 335 HZ3 TRP 44 HZ3 TRP 44 -2.181 -6.589 -10.890 336 HH2 TRP 44 HH2 TRP 44 -0.511 -8.313 -11.342 337 H ILE 45 H ILE 45 -4.084 -5.632 -2.702 338 HA ILE 45 HA ILE 45 -4.539 -2.930 -3.702 339 HB ILE 45 HB ILE 45 -6.008 -4.549 -1.613 340 1HG1 ILE 45 1HG1 ILE 45 -6.327 -5.331 -3.920 341 2HG1 ILE 45 2HG1 ILE 45 -7.806 -4.620 -3.283 342 1HG2 ILE 45 1HG2 ILE 45 -7.700 -2.765 -1.651 343 2HG2 ILE 45 2HG2 ILE 45 -6.645 -1.804 -2.688 344 3HG2 ILE 45 3HG2 ILE 45 -6.145 -2.196 -1.043 345 1HD1 ILE 45 1HD1 ILE 45 -7.357 -2.569 -4.522 346 2HD1 ILE 45 2HD1 ILE 45 -7.427 -3.969 -5.592 347 3HD1 ILE 45 3HD1 ILE 45 -5.867 -3.273 -5.151 348 H ILE 46 H ILE 46 -2.940 -4.557 -1.139 349 HA ILE 46 HA ILE 46 -2.959 -2.675 0.904 350 HB ILE 46 HB ILE 46 -1.097 -4.850 0.088 351 1HG1 ILE 46 1HG1 ILE 46 -3.148 -5.173 1.508 352 2HG1 ILE 46 2HG1 ILE 46 -1.654 -5.757 2.232 353 1HG2 ILE 46 1HG2 ILE 46 0.481 -3.112 0.665 354 2HG2 ILE 46 2HG2 ILE 46 0.447 -4.338 1.932 355 3HG2 ILE 46 3HG2 ILE 46 -0.377 -2.801 2.172 356 1HD1 ILE 46 1HD1 ILE 46 -3.210 -4.544 3.773 357 2HD1 ILE 46 2HD1 ILE 46 -2.849 -3.075 2.865 358 3HD1 ILE 46 3HD1 ILE 46 -1.561 -3.922 3.723 359 H GLY 47 H GLY 47 -1.039 -2.779 -2.047 360 1HA GLY 47 1HA GLY 47 0.902 -0.869 -1.401 361 2HA GLY 47 2HA GLY 47 0.340 -1.227 -3.027 362 H ASN 48 H ASN 48 -2.436 -0.452 -2.310 363 HA ASN 48 HA ASN 48 -2.412 2.181 -3.197 364 1HB ASN 48 1HB ASN 48 -4.519 0.792 -1.532 365 2HB ASN 48 2HB ASN 48 -4.759 2.290 -2.422 366 1HD2 ASN 48 1HD2 ASN 48 -2.827 -0.332 -3.698 367 2HD2 ASN 48 2HD2 ASN 48 -3.925 -0.791 -4.946 368 H PHE 49 H PHE 49 -2.862 0.958 0.116 369 HA PHE 49 HA PHE 49 -2.667 3.623 1.212 370 1HB PHE 49 1HB PHE 49 -2.711 1.005 2.716 371 2HB PHE 49 2HB PHE 49 -3.096 2.604 3.341 372 HD1 PHE 49 HD1 PHE 49 -5.081 3.818 2.101 373 HD2 PHE 49 HD2 PHE 49 -4.431 -0.387 2.118 374 HE1 PHE 49 HE1 PHE 49 -7.455 3.452 1.567 375 HE2 PHE 49 HE2 PHE 49 -6.801 -0.761 1.581 376 HZ PHE 49 HZ PHE 49 -8.316 1.160 1.305 377 H GLN 50 H GLN 50 -0.787 4.568 1.485 378 HA GLN 50 HA GLN 50 1.678 3.059 1.632 379 1HB GLN 50 1HB GLN 50 1.448 6.033 2.024 380 2HB GLN 50 2HB GLN 50 2.796 5.112 1.370 381 1HG GLN 50 1HG GLN 50 1.120 4.497 -0.509 382 2HG GLN 50 2HG GLN 50 0.241 5.909 0.067 383 1HE2 GLN 50 1HE2 GLN 50 2.661 7.326 0.844 384 2HE2 GLN 50 2HE2 GLN 50 3.393 7.871 -0.622 385 H ASP 51 H ASP 51 -0.352 2.930 3.788 386 HA ASP 51 HA ASP 51 0.849 4.260 6.056 387 1HB ASP 51 1HB ASP 51 -1.477 2.353 5.798 388 2HB ASP 51 2HB ASP 51 -0.940 3.025 7.332 389 H GLU 52 H GLU 52 1.407 3.041 8.028 390 HA GLU 52 HA GLU 52 3.433 1.170 7.526 391 1HB GLU 52 1HB GLU 52 3.598 0.926 9.942 392 2HB GLU 52 2HB GLU 52 3.413 2.618 9.504 393 1HG GLU 52 1HG GLU 52 1.133 0.882 10.410 394 2HG GLU 52 2HG GLU 52 2.107 1.862 11.502 395 H ARG 53 H ARG 53 0.064 0.736 8.491 396 HA ARG 53 HA ARG 53 0.244 -2.012 9.107 397 1HB ARG 53 1HB ARG 53 -1.669 -0.460 9.693 398 2HB ARG 53 2HB ARG 53 -2.196 -0.595 8.020 399 1HG ARG 53 1HG ARG 53 -2.741 -2.854 8.248 400 2HG ARG 53 2HG ARG 53 -1.803 -3.022 9.733 401 1HD ARG 53 1HD ARG 53 -4.264 -2.971 10.093 402 2HD ARG 53 2HD ARG 53 -3.388 -1.711 10.959 403 HE ARG 53 HE ARG 53 -4.236 -0.677 8.499 404 1HH1 ARG 53 1HH1 ARG 53 -5.577 -1.785 11.521 405 2HH1 ARG 53 2HH1 ARG 53 -6.961 -0.747 11.434 406 1HH2 ARG 53 1HH2 ARG 53 -6.056 0.693 8.380 407 2HH2 ARG 53 2HH2 ARG 53 -7.233 0.660 9.651 408 H ALA 54 H ALA 54 0.602 -0.398 6.203 409 HA ALA 54 HA ALA 54 -0.213 -2.728 4.604 410 1HB ALA 54 1HB ALA 54 0.277 0.135 3.796 411 2HB ALA 54 2HB ALA 54 -1.275 -0.697 3.875 412 3HB ALA 54 3HB ALA 54 -0.079 -1.173 2.670 413 H VAL 55 H VAL 55 2.444 -1.202 5.944 414 HA VAL 55 HA VAL 55 4.351 -1.752 3.868 415 HB VAL 55 HB VAL 55 4.748 -0.977 6.761 416 1HG1 VAL 55 1HG1 VAL 55 6.730 -1.101 4.496 417 2HG1 VAL 55 2HG1 VAL 55 6.712 -2.120 5.935 418 3HG1 VAL 55 3HG1 VAL 55 7.036 -0.393 6.081 419 1HG2 VAL 55 1HG2 VAL 55 3.679 0.809 5.669 420 2HG2 VAL 55 2HG2 VAL 55 4.628 0.590 4.200 421 3HG2 VAL 55 3HG2 VAL 55 5.392 1.223 5.658 422 H GLU 56 H GLU 56 3.514 -3.215 6.995 423 HA GLU 56 HA GLU 56 5.522 -5.145 7.076 424 1HB GLU 56 1HB GLU 56 4.170 -4.659 9.019 425 2HB GLU 56 2HB GLU 56 2.722 -5.230 8.205 426 1HG GLU 56 1HG GLU 56 4.896 -7.188 8.343 427 2HG GLU 56 2HG GLU 56 4.230 -6.703 9.904 428 HA PRO 57 HA PRO 57 2.099 -8.133 4.937 429 1HB PRO 57 1HB PRO 57 1.269 -5.961 3.067 430 2HB PRO 57 2HB PRO 57 0.352 -7.348 3.667 431 1HG PRO 57 1HG PRO 57 -0.049 -4.907 4.666 432 2HG PRO 57 2HG PRO 57 -0.099 -6.345 5.702 433 1HD PRO 57 1HD PRO 57 1.979 -4.239 5.490 434 2HD PRO 57 2HD PRO 57 1.533 -5.254 6.874 435 H LEU 58 H LEU 58 3.415 -5.430 3.032 436 HA LEU 58 HA LEU 58 4.265 -6.968 0.858 437 1HB LEU 58 1HB LEU 58 5.588 -4.424 1.765 438 2HB LEU 58 2HB LEU 58 5.448 -5.044 0.132 439 HG LEU 58 HG LEU 58 3.241 -3.889 1.829 440 1HD1 LEU 58 1HD1 LEU 58 3.102 -2.247 0.002 441 2HD1 LEU 58 2HD1 LEU 58 4.511 -2.995 -0.750 442 3HD1 LEU 58 3HD1 LEU 58 4.661 -2.218 0.826 443 1HD2 LEU 58 1HD2 LEU 58 2.301 -5.737 0.630 444 2HD2 LEU 58 2HD2 LEU 58 3.103 -5.237 -0.857 445 3HD2 LEU 58 3HD2 LEU 58 1.816 -4.245 -0.178 446 H ILE 59 H ILE 59 5.878 -6.156 3.882 447 HA ILE 59 HA ILE 59 8.473 -6.951 3.158 448 HB ILE 59 HB ILE 59 7.157 -6.931 5.872 449 1HG1 ILE 59 1HG1 ILE 59 7.308 -4.726 4.823 450 2HG1 ILE 59 2HG1 ILE 59 8.418 -4.838 6.182 451 1HG2 ILE 59 1HG2 ILE 59 9.022 -8.459 5.932 452 2HG2 ILE 59 2HG2 ILE 59 9.454 -6.975 6.781 453 3HG2 ILE 59 3HG2 ILE 59 10.065 -7.270 5.153 454 1HD1 ILE 59 1HD1 ILE 59 9.145 -5.066 3.270 455 2HD1 ILE 59 2HD1 ILE 59 10.268 -5.217 4.622 456 3HD1 ILE 59 3HD1 ILE 59 9.447 -3.685 4.324 457 H LYS 60 H LYS 60 6.076 -8.754 5.092 458 HA LYS 60 HA LYS 60 7.579 -11.168 4.995 459 1HB LYS 60 1HB LYS 60 5.377 -12.169 5.856 460 2HB LYS 60 2HB LYS 60 6.199 -10.988 6.864 461 1HG LYS 60 1HG LYS 60 4.144 -10.102 7.026 462 2HG LYS 60 2HG LYS 60 4.560 -9.358 5.482 463 1HD LYS 60 1HD LYS 60 2.515 -10.272 4.984 464 2HD LYS 60 2HD LYS 60 3.589 -11.586 4.502 465 1HE LYS 60 1HE LYS 60 2.100 -11.353 7.115 466 2HE LYS 60 2HE LYS 60 1.712 -12.443 5.786 467 1HZ LYS 60 1HZ LYS 60 4.195 -12.500 7.415 468 2HZ LYS 60 2HZ LYS 60 3.858 -13.527 6.114 469 3HZ LYS 60 3HZ LYS 60 2.912 -13.600 7.514 470 H LEU 61 H LEU 61 5.867 -9.656 2.618 471 HA LEU 61 HA LEU 61 4.766 -12.050 1.389 472 1HB LEU 61 1HB LEU 61 4.469 -9.162 1.074 473 2HB LEU 61 2HB LEU 61 4.511 -10.028 -0.447 474 HG LEU 61 HG LEU 61 2.525 -11.136 -0.036 475 1HD1 LEU 61 1HD1 LEU 61 2.858 -10.524 2.896 476 2HD1 LEU 61 2HD1 LEU 61 3.060 -12.096 2.124 477 3HD1 LEU 61 3HD1 LEU 61 1.470 -11.337 2.179 478 1HD2 LEU 61 1HD2 LEU 61 2.348 -8.455 1.315 479 2HD2 LEU 61 2HD2 LEU 61 0.946 -9.434 0.888 480 3HD2 LEU 61 3HD2 LEU 61 2.022 -8.836 -0.376 481 H LEU 62 H LEU 62 7.306 -9.664 0.679 482 HA LEU 62 HA LEU 62 8.079 -10.605 -1.820 483 1HB LEU 62 1HB LEU 62 9.839 -9.402 0.316 484 2HB LEU 62 2HB LEU 62 10.210 -9.489 -1.397 485 HG LEU 62 HG LEU 62 7.703 -8.095 -0.618 486 1HD1 LEU 62 1HD1 LEU 62 10.462 -6.962 -0.185 487 2HD1 LEU 62 2HD1 LEU 62 9.205 -7.201 1.027 488 3HD1 LEU 62 3HD1 LEU 62 8.985 -6.001 -0.246 489 1HD2 LEU 62 1HD2 LEU 62 8.248 -8.314 -2.952 490 2HD2 LEU 62 2HD2 LEU 62 9.854 -7.638 -2.681 491 3HD2 LEU 62 3HD2 LEU 62 8.425 -6.624 -2.477 492 H GLU 63 H GLU 63 8.395 -12.089 1.215 493 HA GLU 63 HA GLU 63 10.470 -13.910 0.211 494 1HB GLU 63 1HB GLU 63 9.822 -12.794 2.864 495 2HB GLU 63 2HB GLU 63 10.293 -14.486 2.850 496 1HG GLU 63 1HG GLU 63 12.201 -13.059 3.250 497 2HG GLU 63 2HG GLU 63 12.367 -13.896 1.708 498 H ASP 64 H ASP 64 7.172 -13.674 0.755 499 HA ASP 64 HA ASP 64 6.518 -16.193 1.779 500 1HB ASP 64 1HB ASP 64 5.008 -14.132 1.417 501 2HB ASP 64 2HB ASP 64 4.788 -14.766 -0.212 502 H ASP 65 H ASP 65 7.289 -15.142 -1.411 503 HA ASP 65 HA ASP 65 7.617 -16.223 -3.390 504 1HB ASP 65 1HB ASP 65 9.291 -17.353 -1.873 505 2HB ASP 65 2HB ASP 65 8.128 -18.661 -1.684 506 H SER 66 H SER 66 4.883 -16.244 -2.249 507 HA SER 66 HA SER 66 3.784 -18.804 -3.055 508 1HB SER 66 1HB SER 66 2.809 -17.600 -1.143 509 2HB SER 66 2HB SER 66 2.379 -16.266 -2.207 510 HG SER 66 HG SER 66 1.108 -18.633 -1.799 511 H GLY 67 H GLY 67 4.653 -15.962 -4.635 512 1HA GLY 67 1HA GLY 67 4.524 -15.721 -6.990 513 2HA GLY 67 2HA GLY 67 3.123 -16.785 -6.998 514 H PHE 68 H PHE 68 1.078 -15.935 -6.315 515 HA PHE 68 HA PHE 68 0.540 -13.328 -7.254 516 1HB PHE 68 1HB PHE 68 -1.030 -15.393 -6.960 517 2HB PHE 68 2HB PHE 68 -1.256 -14.784 -5.330 518 HD1 PHE 68 HD1 PHE 68 -0.964 -11.769 -6.701 519 HD2 PHE 68 HD2 PHE 68 -3.493 -15.183 -7.107 520 HE1 PHE 68 HE1 PHE 68 -2.787 -10.333 -7.507 521 HE2 PHE 68 HE2 PHE 68 -5.309 -13.741 -7.914 522 HZ PHE 68 HZ PHE 68 -4.958 -11.315 -8.118 523 H VAL 69 H VAL 69 0.934 -14.696 -4.030 524 HA VAL 69 HA VAL 69 0.358 -12.295 -2.618 525 HB VAL 69 HB VAL 69 2.003 -14.571 -1.545 526 1HG1 VAL 69 1HG1 VAL 69 1.890 -12.720 -0.059 527 2HG1 VAL 69 2HG1 VAL 69 0.796 -13.956 0.557 528 3HG1 VAL 69 3HG1 VAL 69 0.151 -12.555 -0.299 529 1HG2 VAL 69 1HG2 VAL 69 -0.077 -15.676 -0.893 530 2HG2 VAL 69 2HG2 VAL 69 0.045 -15.531 -2.646 531 3HG2 VAL 69 3HG2 VAL 69 -1.005 -14.439 -1.742 532 H ARG 70 H ARG 70 3.369 -13.907 -3.601 533 HA ARG 70 HA ARG 70 5.095 -12.032 -2.340 534 1HB ARG 70 1HB ARG 70 5.677 -14.394 -3.103 535 2HB ARG 70 2HB ARG 70 5.801 -13.732 -4.728 536 1HG ARG 70 1HG ARG 70 7.448 -12.049 -3.670 537 2HG ARG 70 2HG ARG 70 7.528 -13.210 -2.344 538 1HD ARG 70 1HD ARG 70 7.843 -14.855 -4.466 539 2HD ARG 70 2HD ARG 70 8.585 -13.382 -5.087 540 HE ARG 70 HE ARG 70 9.562 -13.903 -2.501 541 1HH1 ARG 70 1HH1 ARG 70 9.760 -15.131 -5.755 542 2HH1 ARG 70 2HH1 ARG 70 11.349 -15.789 -5.547 543 1HH2 ARG 70 1HH2 ARG 70 11.652 -14.767 -2.217 544 2HH2 ARG 70 2HH2 ARG 70 12.424 -15.582 -3.536 545 H SER 71 H SER 71 4.525 -12.569 -5.823 546 HA SER 71 HA SER 71 5.753 -10.288 -6.774 547 1HB SER 71 1HB SER 71 3.336 -11.717 -7.900 548 2HB SER 71 2HB SER 71 4.297 -10.527 -8.777 549 HG SER 71 HG SER 71 6.030 -12.230 -7.877 550 H GLY 72 H GLY 72 2.755 -10.598 -5.113 551 1HA GLY 72 1HA GLY 72 1.507 -8.217 -6.004 552 2HA GLY 72 2HA GLY 72 1.147 -9.073 -4.511 553 H ALA 73 H ALA 73 3.751 -8.911 -3.380 554 HA ALA 73 HA ALA 73 3.591 -6.350 -2.173 555 1HB ALA 73 1HB ALA 73 4.395 -8.109 -0.830 556 2HB ALA 73 2HB ALA 73 5.774 -7.045 -1.103 557 3HB ALA 73 3HB ALA 73 5.627 -8.552 -2.009 558 H ALA 74 H ALA 74 5.918 -7.812 -4.439 559 HA ALA 74 HA ALA 74 7.651 -5.633 -4.640 560 1HB ALA 74 1HB ALA 74 8.397 -6.617 -6.739 561 2HB ALA 74 2HB ALA 74 6.961 -7.640 -6.787 562 3HB ALA 74 3HB ALA 74 8.165 -7.869 -5.520 563 H ARG 75 H ARG 75 4.519 -6.219 -5.952 564 HA ARG 75 HA ARG 75 4.628 -4.110 -7.921 565 1HB ARG 75 1HB ARG 75 3.261 -6.074 -8.359 566 2HB ARG 75 2HB ARG 75 2.345 -5.803 -6.883 567 1HG ARG 75 1HG ARG 75 1.985 -3.441 -8.182 568 2HG ARG 75 2HG ARG 75 2.071 -4.580 -9.526 569 1HD ARG 75 1HD ARG 75 0.372 -5.986 -8.278 570 2HD ARG 75 2HD ARG 75 0.173 -4.609 -7.188 571 HE ARG 75 HE ARG 75 -0.258 -4.285 -10.077 572 1HH1 ARG 75 1HH1 ARG 75 -1.435 -4.172 -6.800 573 2HH1 ARG 75 2HH1 ARG 75 -2.913 -3.375 -7.222 574 1HH2 ARG 75 1HH2 ARG 75 -2.203 -3.236 -10.642 575 2HH2 ARG 75 2HH2 ARG 75 -3.351 -2.844 -9.405 576 H SER 76 H SER 76 3.242 -4.639 -4.728 577 HA SER 76 HA SER 76 1.798 -2.218 -4.559 578 1HB SER 76 1HB SER 76 2.858 -4.082 -2.435 579 2HB SER 76 2HB SER 76 1.809 -2.709 -2.091 580 HG SER 76 HG SER 76 0.767 -4.171 -4.083 581 H LEU 77 H LEU 77 5.119 -3.066 -3.814 582 HA LEU 77 HA LEU 77 5.751 -0.767 -2.297 583 1HB LEU 77 1HB LEU 77 7.490 -2.597 -3.944 584 2HB LEU 77 2HB LEU 77 8.118 -1.322 -2.916 585 HG LEU 77 HG LEU 77 6.467 -3.653 -1.938 586 1HD1 LEU 77 1HD1 LEU 77 8.745 -4.219 -2.832 587 2HD1 LEU 77 2HD1 LEU 77 8.474 -4.615 -1.135 588 3HD1 LEU 77 3HD1 LEU 77 9.410 -3.186 -1.569 589 1HD2 LEU 77 1HD2 LEU 77 6.328 -1.545 -0.611 590 2HD2 LEU 77 2HD2 LEU 77 8.073 -1.638 -0.377 591 3HD2 LEU 77 3HD2 LEU 77 7.029 -2.906 0.263 592 H GLU 78 H GLU 78 6.609 -1.526 -5.680 593 HA GLU 78 HA GLU 78 7.556 0.947 -6.426 594 1HB GLU 78 1HB GLU 78 7.629 -1.093 -7.838 595 2HB GLU 78 2HB GLU 78 5.906 -0.919 -8.142 596 1HG GLU 78 1HG GLU 78 6.315 1.225 -9.234 597 2HG GLU 78 2HG GLU 78 8.042 1.049 -8.931 598 H GLN 79 H GLN 79 4.342 -0.028 -5.734 599 HA GLN 79 HA GLN 79 2.920 2.003 -7.109 600 1HB GLN 79 1HB GLN 79 2.241 -0.248 -5.713 601 2HB GLN 79 2HB GLN 79 1.776 1.012 -4.581 602 1HG GLN 79 1HG GLN 79 0.275 1.979 -6.153 603 2HG GLN 79 2HG GLN 79 0.873 0.939 -7.447 604 1HE2 GLN 79 1HE2 GLN 79 1.037 -1.377 -5.650 605 2HE2 GLN 79 2HE2 GLN 79 -0.585 -1.925 -5.434 606 H ILE 80 H ILE 80 4.041 1.669 -3.753 607 HA ILE 80 HA ILE 80 3.114 4.104 -2.765 608 HB ILE 80 HB ILE 80 5.602 2.577 -1.952 609 1HG1 ILE 80 1HG1 ILE 80 2.812 2.537 -0.773 610 2HG1 ILE 80 2HG1 ILE 80 3.469 1.296 -1.833 611 1HG2 ILE 80 1HG2 ILE 80 4.040 4.686 -0.455 612 2HG2 ILE 80 2HG2 ILE 80 5.643 4.893 -1.160 613 3HG2 ILE 80 3HG2 ILE 80 5.407 3.768 0.177 614 1HD1 ILE 80 1HD1 ILE 80 5.229 0.854 -0.162 615 2HD1 ILE 80 2HD1 ILE 80 3.599 0.565 0.450 616 3HD1 ILE 80 3HD1 ILE 80 4.467 2.031 0.908 617 H GLY 81 H GLY 81 6.442 3.346 -3.823 618 1HA GLY 81 1HA GLY 81 8.078 4.658 -4.751 619 2HA GLY 81 2HA GLY 81 6.780 5.643 -5.400 620 H GLY 82 H GLY 82 9.358 5.503 -3.224 621 1HA GLY 82 1HA GLY 82 9.635 8.106 -2.646 622 2HA GLY 82 2HA GLY 82 8.393 7.631 -1.499 623 H GLU 83 H GLU 83 10.312 8.522 -0.162 624 HA GLU 83 HA GLU 83 12.556 6.815 0.247 625 1HB GLU 83 1HB GLU 83 12.599 9.218 0.784 626 2HB GLU 83 2HB GLU 83 11.399 8.957 2.042 627 1HG GLU 83 1HG GLU 83 12.968 7.541 3.255 628 2HG GLU 83 2HG GLU 83 14.170 7.784 1.990 629 H ARG 84 H ARG 84 9.329 6.943 1.507 630 HA ARG 84 HA ARG 84 9.780 5.430 3.855 631 1HB ARG 84 1HB ARG 84 7.369 5.209 3.996 632 2HB ARG 84 2HB ARG 84 7.791 6.854 3.554 633 1HG ARG 84 1HG ARG 84 7.080 4.877 1.430 634 2HG ARG 84 2HG ARG 84 5.816 5.662 2.371 635 1HD ARG 84 1HD ARG 84 7.906 6.989 0.651 636 2HD ARG 84 2HD ARG 84 6.170 6.920 0.362 637 HE ARG 84 HE ARG 84 6.509 8.138 2.822 638 1HH1 ARG 84 1HH1 ARG 84 7.383 8.760 -0.493 639 2HH1 ARG 84 2HH1 ARG 84 7.374 10.482 -0.307 640 1HH2 ARG 84 1HH2 ARG 84 6.493 10.404 3.075 641 2HH2 ARG 84 2HH2 ARG 84 6.868 11.416 1.720 642 H VAL 85 H VAL 85 8.556 4.522 0.648 643 HA VAL 85 HA VAL 85 8.361 1.747 1.249 644 HB VAL 85 HB VAL 85 7.107 2.890 -0.568 645 1HG1 VAL 85 1HG1 VAL 85 8.820 4.312 -1.468 646 2HG1 VAL 85 2HG1 VAL 85 8.244 3.229 -2.736 647 3HG1 VAL 85 3HG1 VAL 85 9.785 2.913 -1.938 648 1HG2 VAL 85 1HG2 VAL 85 8.794 0.532 -1.383 649 2HG2 VAL 85 2HG2 VAL 85 7.327 1.060 -2.208 650 3HG2 VAL 85 3HG2 VAL 85 7.242 0.480 -0.545 651 H ARG 86 H ARG 86 10.870 3.844 0.174 652 HA ARG 86 HA ARG 86 12.602 2.047 -1.084 653 1HB ARG 86 1HB ARG 86 12.829 4.533 -1.075 654 2HB ARG 86 2HB ARG 86 13.398 4.435 0.586 655 1HG ARG 86 1HG ARG 86 15.309 3.106 -0.136 656 2HG ARG 86 2HG ARG 86 14.732 3.175 -1.802 657 1HD ARG 86 1HD ARG 86 14.955 5.614 -1.774 658 2HD ARG 86 2HD ARG 86 15.535 5.541 -0.110 659 HE ARG 86 HE ARG 86 17.033 4.044 -2.112 660 1HH1 ARG 86 1HH1 ARG 86 16.775 6.885 -0.107 661 2HH1 ARG 86 2HH1 ARG 86 18.448 7.302 -0.260 662 1HH2 ARG 86 1HH2 ARG 86 19.237 4.588 -2.317 663 2HH2 ARG 86 2HH2 ARG 86 19.847 5.997 -1.517 664 H ALA 87 H ALA 87 11.858 2.446 2.269 665 HA ALA 87 HA ALA 87 14.241 1.231 3.284 666 1HB ALA 87 1HB ALA 87 12.867 2.797 4.611 667 2HB ALA 87 2HB ALA 87 13.124 1.255 5.427 668 3HB ALA 87 3HB ALA 87 11.578 1.595 4.652 669 H ALA 88 H ALA 88 11.134 0.136 2.179 670 HA ALA 88 HA ALA 88 11.140 -2.424 3.358 671 1HB ALA 88 1HB ALA 88 9.143 -1.350 2.369 672 2HB ALA 88 2HB ALA 88 9.414 -2.983 1.763 673 3HB ALA 88 3HB ALA 88 9.839 -1.592 0.767 674 H MET 89 H MET 89 12.478 -1.170 0.349 675 HA MET 89 HA MET 89 13.218 -3.677 -0.750 676 1HB MET 89 1HB MET 89 14.916 -1.314 -1.330 677 2HB MET 89 2HB MET 89 14.223 -2.492 -2.428 678 1HG MET 89 1HG MET 89 12.922 -0.096 -1.213 679 2HG MET 89 2HG MET 89 13.205 -0.459 -2.916 680 1HE MET 89 1HE MET 89 10.625 -3.345 -3.552 681 2HE MET 89 2HE MET 89 12.268 -3.594 -2.963 682 3HE MET 89 3HE MET 89 11.954 -2.395 -4.216 683 H GLU 90 H GLU 90 14.895 -1.266 1.186 684 HA GLU 90 HA GLU 90 17.402 -2.468 1.337 685 1HB GLU 90 1HB GLU 90 15.985 -0.885 3.492 686 2HB GLU 90 2HB GLU 90 17.717 -1.166 3.390 687 1HG GLU 90 1HG GLU 90 16.095 0.330 1.348 688 2HG GLU 90 2HG GLU 90 17.040 1.077 2.633 689 H LYS 91 H LYS 91 14.469 -3.002 3.211 690 HA LYS 91 HA LYS 91 15.683 -4.830 5.050 691 1HB LYS 91 1HB LYS 91 12.802 -4.212 4.399 692 2HB LYS 91 2HB LYS 91 13.281 -5.361 5.639 693 1HG LYS 91 1HG LYS 91 14.054 -2.451 5.604 694 2HG LYS 91 2HG LYS 91 12.721 -3.135 6.535 695 1HD LYS 91 1HD LYS 91 14.294 -4.553 7.755 696 2HD LYS 91 2HD LYS 91 15.630 -3.892 6.811 697 1HE LYS 91 1HE LYS 91 13.823 -2.333 8.656 698 2HE LYS 91 2HE LYS 91 15.475 -2.834 9.011 699 1HZ LYS 91 1HZ LYS 91 16.257 -1.465 7.192 700 2HZ LYS 91 2HZ LYS 91 15.361 -0.528 8.279 701 3HZ LYS 91 3HZ LYS 91 14.673 -1.008 6.810 702 H LEU 92 H LEU 92 14.130 -5.149 1.933 703 HA LEU 92 HA LEU 92 13.960 -8.035 2.205 704 1HB LEU 92 1HB LEU 92 12.210 -7.573 0.894 705 2HB LEU 92 2HB LEU 92 12.845 -5.999 0.451 706 HG LEU 92 HG LEU 92 14.358 -7.274 -1.187 707 1HD1 LEU 92 1HD1 LEU 92 13.535 -9.428 -1.933 708 2HD1 LEU 92 2HD1 LEU 92 12.265 -9.393 -0.710 709 3HD1 LEU 92 3HD1 LEU 92 13.956 -9.506 -0.224 710 1HD2 LEU 92 1HD2 LEU 92 12.713 -7.132 -2.889 711 2HD2 LEU 92 2HD2 LEU 92 12.323 -5.879 -1.712 712 3HD2 LEU 92 3HD2 LEU 92 11.402 -7.383 -1.740 713 H ALA 93 H ALA 93 16.112 -5.652 0.985 714 HA ALA 93 HA ALA 93 17.548 -7.199 -0.888 715 1HB ALA 93 1HB ALA 93 17.634 -4.737 -0.773 716 2HB ALA 93 2HB ALA 93 19.236 -5.477 -0.764 717 3HB ALA 93 3HB ALA 93 18.541 -4.861 0.736 718 H GLU 94 H GLU 94 17.701 -6.942 2.598 719 HA GLU 94 HA GLU 94 20.256 -8.267 2.803 720 1HB GLU 94 1HB GLU 94 19.773 -8.294 5.240 721 2HB GLU 94 2HB GLU 94 19.646 -6.688 4.534 722 1HG GLU 94 1HG GLU 94 17.222 -6.894 4.483 723 2HG GLU 94 2HG GLU 94 17.339 -8.513 5.168 724 H THR 95 H THR 95 17.008 -9.149 2.425 725 HA THR 95 HA THR 95 17.646 -11.970 3.011 726 HB THR 95 HB THR 95 15.249 -12.325 3.480 727 HG1 THR 95 HG1 THR 95 14.964 -9.496 3.443 728 1HG2 THR 95 1HG2 THR 95 16.722 -11.855 5.360 729 2HG2 THR 95 2HG2 THR 95 15.137 -11.132 5.634 730 3HG2 THR 95 3HG2 THR 95 16.492 -10.122 5.132 731 H GLY 96 H GLY 96 17.880 -10.197 0.621 732 1HA GLY 96 1HA GLY 96 15.890 -10.714 -1.273 733 2HA GLY 96 2HA GLY 96 17.551 -10.279 -1.633 734 H THR 97 H THR 97 15.283 -12.459 -2.250 735 HA THR 97 HA THR 97 17.245 -14.435 -3.104 736 HB THR 97 HB THR 97 16.575 -15.332 -0.958 737 HG1 THR 97 HG1 THR 97 16.810 -16.895 -2.556 738 1HG2 THR 97 1HG2 THR 97 14.278 -15.833 -0.394 739 2HG2 THR 97 2HG2 THR 97 13.728 -15.229 -1.957 740 3HG2 THR 97 3HG2 THR 97 14.420 -14.117 -0.776 741 H GLY 98 H GLY 98 16.806 -15.150 -5.103 742 1HA GLY 98 1HA GLY 98 15.642 -15.666 -7.022 743 2HA GLY 98 2HA GLY 98 14.160 -15.566 -6.085 744 H PHE 99 H PHE 99 12.836 -14.303 -7.201 745 HA PHE 99 HA PHE 99 13.752 -12.076 -8.770 746 1HB PHE 99 1HB PHE 99 11.925 -13.137 -9.736 747 2HB PHE 99 2HB PHE 99 11.105 -13.357 -8.197 748 HD1 PHE 99 HD1 PHE 99 12.107 -10.715 -10.626 749 HD2 PHE 99 HD2 PHE 99 9.390 -11.941 -7.585 750 HE1 PHE 99 HE1 PHE 99 10.702 -8.745 -11.086 751 HE2 PHE 99 HE2 PHE 99 7.985 -9.975 -8.039 752 HZ PHE 99 HZ PHE 99 8.638 -8.373 -9.788 753 H ALA 100 H ALA 100 12.338 -12.521 -5.606 754 HA ALA 100 HA ALA 100 11.378 -9.971 -5.072 755 1HB ALA 100 1HB ALA 100 11.018 -11.880 -3.596 756 2HB ALA 100 2HB ALA 100 11.689 -10.508 -2.713 757 3HB ALA 100 3HB ALA 100 12.724 -11.867 -3.153 758 H ARG 101 H ARG 101 14.679 -11.205 -4.908 759 HA ARG 101 HA ARG 101 15.815 -8.951 -3.626 760 1HB ARG 101 1HB ARG 101 16.934 -11.119 -3.683 761 2HB ARG 101 2HB ARG 101 17.081 -11.002 -5.430 762 1HG ARG 101 1HG ARG 101 18.780 -9.485 -5.332 763 2HG ARG 101 2HG ARG 101 18.244 -8.823 -3.787 764 1HD ARG 101 1HD ARG 101 19.062 -10.774 -2.624 765 2HD ARG 101 2HD ARG 101 19.500 -11.540 -4.151 766 HE ARG 101 HE ARG 101 20.814 -9.071 -3.971 767 1HH1 ARG 101 1HH1 ARG 101 20.851 -12.225 -2.486 768 2HH1 ARG 101 2HH1 ARG 101 22.524 -12.136 -2.045 769 1HH2 ARG 101 1HH2 ARG 101 23.012 -8.949 -3.394 770 2HH2 ARG 101 2HH2 ARG 101 23.752 -10.274 -2.561 771 H LYS 102 H LYS 102 16.019 -9.967 -7.039 772 HA LYS 102 HA LYS 102 17.320 -7.810 -8.110 773 1HB LYS 102 1HB LYS 102 16.670 -9.853 -9.354 774 2HB LYS 102 2HB LYS 102 15.007 -9.286 -9.385 775 1HG LYS 102 1HG LYS 102 15.866 -8.734 -11.484 776 2HG LYS 102 2HG LYS 102 15.899 -7.223 -10.573 777 1HD LYS 102 1HD LYS 102 17.966 -7.468 -11.796 778 2HD LYS 102 2HD LYS 102 18.285 -7.621 -10.068 779 1HE LYS 102 1HE LYS 102 18.317 -10.060 -10.294 780 2HE LYS 102 2HE LYS 102 17.997 -9.904 -12.021 781 1HZ LYS 102 1HZ LYS 102 20.392 -8.824 -10.635 782 2HZ LYS 102 2HZ LYS 102 20.095 -8.783 -12.299 783 3HZ LYS 102 3HZ LYS 102 20.354 -10.263 -11.524 784 H VAL 103 H VAL 103 14.164 -7.913 -6.802 785 HA VAL 103 HA VAL 103 13.099 -5.627 -8.141 786 HB VAL 103 HB VAL 103 12.256 -7.258 -5.766 787 1HG1 VAL 103 1HG1 VAL 103 11.028 -4.686 -6.748 788 2HG1 VAL 103 2HG1 VAL 103 11.552 -5.088 -5.113 789 3HG1 VAL 103 3HG1 VAL 103 10.134 -5.877 -5.803 790 1HG2 VAL 103 1HG2 VAL 103 10.385 -7.844 -7.191 791 2HG2 VAL 103 2HG2 VAL 103 11.907 -8.150 -8.029 792 3HG2 VAL 103 3HG2 VAL 103 10.949 -6.725 -8.431 793 H ALA 104 H ALA 104 14.151 -6.155 -4.762 794 HA ALA 104 HA ALA 104 13.825 -3.607 -3.799 795 1HB ALA 104 1HB ALA 104 15.471 -4.186 -2.093 796 2HB ALA 104 2HB ALA 104 15.978 -5.571 -3.060 797 3HB ALA 104 3HB ALA 104 14.348 -5.510 -2.395 798 H VAL 105 H VAL 105 16.862 -4.918 -5.056 799 HA VAL 105 HA VAL 105 18.403 -2.622 -4.725 800 HB VAL 105 HB VAL 105 18.785 -4.788 -6.789 801 1HG1 VAL 105 1HG1 VAL 105 21.185 -4.145 -6.593 802 2HG1 VAL 105 2HG1 VAL 105 20.685 -2.752 -5.632 803 3HG1 VAL 105 3HG1 VAL 105 20.166 -2.898 -7.311 804 1HG2 VAL 105 1HG2 VAL 105 18.560 -5.593 -4.441 805 2HG2 VAL 105 2HG2 VAL 105 19.952 -4.596 -4.016 806 3HG2 VAL 105 3HG2 VAL 105 20.133 -5.922 -5.165 807 H ASN 106 H ASN 106 17.180 -3.850 -7.853 808 HA ASN 106 HA ASN 106 17.938 -1.606 -9.329 809 1HB ASN 106 1HB ASN 106 15.744 -3.606 -9.882 810 2HB ASN 106 2HB ASN 106 16.363 -2.447 -11.054 811 1HD2 ASN 106 1HD2 ASN 106 18.466 -2.692 -11.850 812 2HD2 ASN 106 2HD2 ASN 106 19.307 -4.195 -11.736 813 H TYR 107 H TYR 107 14.964 -2.175 -7.498 814 HA TYR 107 HA TYR 107 13.442 -0.151 -8.716 815 1HB TYR 107 1HB TYR 107 12.287 -1.809 -7.491 816 2HB TYR 107 2HB TYR 107 13.282 -1.553 -6.062 817 HD1 TYR 107 HD1 TYR 107 12.428 -0.359 -4.366 818 HD2 TYR 107 HD2 TYR 107 10.946 0.357 -8.269 819 HE1 TYR 107 HE1 TYR 107 10.794 1.235 -3.439 820 HE2 TYR 107 HE2 TYR 107 9.305 1.949 -7.374 821 HH TYR 107 HH TYR 107 9.467 3.190 -4.245 822 H LEU 108 H LEU 108 15.943 -0.122 -6.334 823 HA LEU 108 HA LEU 108 15.413 2.250 -4.984 824 1HB LEU 108 1HB LEU 108 18.069 1.053 -5.768 825 2HB LEU 108 2HB LEU 108 17.871 2.357 -4.621 826 HG LEU 108 HG LEU 108 16.777 -0.431 -4.289 827 1HD1 LEU 108 1HD1 LEU 108 18.461 -0.684 -2.561 828 2HD1 LEU 108 2HD1 LEU 108 19.072 0.936 -2.898 829 3HD1 LEU 108 3HD1 LEU 108 19.217 -0.332 -4.115 830 1HD2 LEU 108 1HD2 LEU 108 16.262 0.292 -2.000 831 2HD2 LEU 108 2HD2 LEU 108 15.364 1.217 -3.204 832 3HD2 LEU 108 3HD2 LEU 108 16.770 1.929 -2.415 833 H GLU 109 H GLU 109 16.359 1.730 -8.234 834 HA GLU 109 HA GLU 109 17.672 4.146 -8.806 835 1HB GLU 109 1HB GLU 109 17.557 2.090 -10.266 836 2HB GLU 109 2HB GLU 109 15.925 2.574 -10.703 837 1HG GLU 109 1HG GLU 109 16.864 4.720 -11.547 838 2HG GLU 109 2HG GLU 109 18.475 4.068 -11.250 839 H THR 110 H THR 110 14.464 3.579 -7.932 840 HA THR 110 HA THR 110 13.704 6.264 -8.857 841 HB THR 110 HB THR 110 11.398 5.475 -9.254 842 HG1 THR 110 HG1 THR 110 12.565 2.994 -8.550 843 1HG2 THR 110 1HG2 THR 110 12.878 5.642 -11.156 844 2HG2 THR 110 2HG2 THR 110 11.872 4.205 -11.339 845 3HG2 THR 110 3HG2 THR 110 13.550 4.048 -10.819 846 H HIS 111 H HIS 111 14.603 4.942 -6.254 847 HA HIS 111 HA HIS 111 14.220 5.215 -4.032 848 1HB HIS 111 1HB HIS 111 12.135 7.216 -4.931 849 2HB HIS 111 2HB HIS 111 12.796 7.072 -3.306 850 HD1 HIS 111 HD1 HIS 111 13.518 8.464 -6.666 851 HD2 HIS 111 HD2 HIS 111 15.456 8.025 -3.016 852 HE1 HIS 111 HE1 HIS 111 15.528 9.971 -6.786 853 HE2 HIS 111 HE2 HIS 111 16.715 9.647 -4.588 Start of MODEL 16 1 H MET 1 H MET 1 -4.282 1.254 22.218 2 HA MET 1 HA MET 1 -6.088 2.351 21.052 3 1HB MET 1 1HB MET 1 -7.470 1.025 19.500 4 2HB MET 1 2HB MET 1 -5.835 1.250 18.895 5 1HG MET 1 1HG MET 1 -5.249 -1.002 19.604 6 2HG MET 1 2HG MET 1 -6.874 -1.231 20.247 7 1HE MET 1 1HE MET 1 -8.570 0.324 17.964 8 2HE MET 1 2HE MET 1 -9.070 -1.195 18.707 9 3HE MET 1 3HE MET 1 -9.026 -1.044 16.950 10 H ALA 2 H ALA 2 -7.953 2.380 22.196 11 HA ALA 2 HA ALA 2 -9.159 0.055 23.315 12 1HB ALA 2 1HB ALA 2 -8.753 0.480 25.663 13 2HB ALA 2 2HB ALA 2 -7.755 1.878 25.264 14 3HB ALA 2 3HB ALA 2 -7.218 0.257 24.821 15 H ASP 3 H ASP 3 -11.144 0.700 22.726 16 HA ASP 3 HA ASP 3 -13.113 1.828 22.708 17 1HB ASP 3 1HB ASP 3 -11.964 3.105 25.198 18 2HB ASP 3 2HB ASP 3 -13.637 3.259 24.673 19 H GLU 4 H GLU 4 -10.391 3.116 21.752 20 HA GLU 4 HA GLU 4 -11.207 5.902 21.594 21 1HB GLU 4 1HB GLU 4 -8.758 4.459 20.571 22 2HB GLU 4 2HB GLU 4 -9.044 6.182 20.363 23 1HG GLU 4 1HG GLU 4 -9.095 6.451 22.802 24 2HG GLU 4 2HG GLU 4 -8.754 4.731 22.984 25 H ASN 5 H ASN 5 -10.330 3.335 19.277 26 HA ASN 5 HA ASN 5 -11.830 4.772 17.207 27 1HB ASN 5 1HB ASN 5 -9.854 2.490 16.995 28 2HB ASN 5 2HB ASN 5 -10.700 3.207 15.627 29 1HD2 ASN 5 1HD2 ASN 5 -8.849 3.910 14.623 30 2HD2 ASN 5 2HD2 ASN 5 -7.882 5.204 15.234 31 H LYS 6 H LYS 6 -13.931 4.239 17.671 32 HA LYS 6 HA LYS 6 -14.811 1.623 18.312 33 1HB LYS 6 1HB LYS 6 -16.062 3.688 18.872 34 2HB LYS 6 2HB LYS 6 -16.405 3.921 17.164 35 1HG LYS 6 1HG LYS 6 -17.713 1.905 17.096 36 2HG LYS 6 2HG LYS 6 -17.266 1.517 18.759 37 1HD LYS 6 1HD LYS 6 -18.806 3.973 17.923 38 2HD LYS 6 2HD LYS 6 -19.538 2.496 18.548 39 1HE LYS 6 1HE LYS 6 -18.257 2.766 20.630 40 2HE LYS 6 2HE LYS 6 -17.573 4.265 20.002 41 1HZ LYS 6 1HZ LYS 6 -19.395 4.777 21.439 42 2HZ LYS 6 2HZ LYS 6 -20.430 3.733 20.604 43 3HZ LYS 6 3HZ LYS 6 -19.861 5.139 19.853 44 H TRP 7 H TRP 7 -15.650 3.487 15.391 45 HA TRP 7 HA TRP 7 -16.259 1.123 13.915 46 1HB TRP 7 1HB TRP 7 -15.902 3.992 13.023 47 2HB TRP 7 2HB TRP 7 -16.480 2.695 11.982 48 HD1 TRP 7 HD1 TRP 7 -17.526 4.303 15.367 49 HE1 TRP 7 HE1 TRP 7 -20.099 4.352 15.450 50 HE3 TRP 7 HE3 TRP 7 -18.529 1.967 10.931 51 HZ2 TRP 7 HZ2 TRP 7 -22.265 3.513 13.848 52 HZ3 TRP 7 HZ3 TRP 7 -20.877 1.630 10.280 53 HH2 TRP 7 HH2 TRP 7 -22.706 2.387 11.709 54 H VAL 8 H VAL 8 -14.373 -0.135 13.987 55 HA VAL 8 HA VAL 8 -12.185 0.855 12.276 56 HB VAL 8 HB VAL 8 -11.508 0.680 14.660 57 1HG1 VAL 8 1HG1 VAL 8 -12.128 -2.244 14.265 58 2HG1 VAL 8 2HG1 VAL 8 -12.899 -1.133 15.399 59 3HG1 VAL 8 3HG1 VAL 8 -11.210 -1.589 15.621 60 1HG2 VAL 8 1HG2 VAL 8 -9.860 0.434 12.876 61 2HG2 VAL 8 2HG2 VAL 8 -10.170 -1.301 12.820 62 3HG2 VAL 8 3HG2 VAL 8 -9.453 -0.578 14.261 63 H ARG 9 H ARG 9 -14.331 -1.756 13.102 64 HA ARG 9 HA ARG 9 -13.584 -3.108 10.634 65 1HB ARG 9 1HB ARG 9 -13.534 -5.322 11.792 66 2HB ARG 9 2HB ARG 9 -12.198 -4.263 12.222 67 1HG ARG 9 1HG ARG 9 -13.360 -3.658 14.296 68 2HG ARG 9 2HG ARG 9 -14.673 -4.758 13.866 69 1HD ARG 9 1HD ARG 9 -13.103 -5.775 15.455 70 2HD ARG 9 2HD ARG 9 -13.147 -6.643 13.921 71 HE ARG 9 HE ARG 9 -11.078 -4.910 13.623 72 1HH1 ARG 9 1HH1 ARG 9 -11.902 -7.301 16.022 73 2HH1 ARG 9 2HH1 ARG 9 -10.254 -7.660 16.414 74 1HH2 ARG 9 1HH2 ARG 9 -8.907 -5.379 14.131 75 2HH2 ARG 9 2HH2 ARG 9 -8.551 -6.569 15.339 76 H ARG 10 H ARG 10 -15.833 -2.539 13.216 77 HA ARG 10 HA ARG 10 -17.872 -4.293 12.457 78 1HB ARG 10 1HB ARG 10 -17.935 -1.594 13.800 79 2HB ARG 10 2HB ARG 10 -19.397 -2.526 13.509 80 1HG ARG 10 1HG ARG 10 -17.130 -3.840 14.915 81 2HG ARG 10 2HG ARG 10 -18.115 -2.669 15.794 82 1HD ARG 10 1HD ARG 10 -18.880 -5.025 16.040 83 2HD ARG 10 2HD ARG 10 -20.104 -3.936 15.387 84 HE ARG 10 HE ARG 10 -19.122 -4.925 13.145 85 1HH1 ARG 10 1HH1 ARG 10 -19.906 -6.564 16.118 86 2HH1 ARG 10 2HH1 ARG 10 -20.297 -8.060 15.338 87 1HH2 ARG 10 1HH2 ARG 10 -19.638 -6.886 12.112 88 2HH2 ARG 10 2HH2 ARG 10 -20.141 -8.244 13.062 89 H ASP 11 H ASP 11 -19.452 -4.218 10.925 90 HA ASP 11 HA ASP 11 -20.623 -3.570 9.080 91 1HB ASP 11 1HB ASP 11 -19.617 -0.847 9.905 92 2HB ASP 11 2HB ASP 11 -20.719 -1.105 8.555 93 H VAL 12 H VAL 12 -17.388 -3.652 9.305 94 HA VAL 12 HA VAL 12 -16.966 -2.848 6.503 95 HB VAL 12 HB VAL 12 -14.877 -3.139 8.666 96 1HG1 VAL 12 1HG1 VAL 12 -13.386 -2.058 7.058 97 2HG1 VAL 12 2HG1 VAL 12 -14.680 -2.045 5.861 98 3HG1 VAL 12 3HG1 VAL 12 -14.016 -3.578 6.425 99 1HG2 VAL 12 1HG2 VAL 12 -14.747 -0.667 8.541 100 2HG2 VAL 12 2HG2 VAL 12 -16.290 -1.253 9.159 101 3HG2 VAL 12 3HG2 VAL 12 -16.169 -0.677 7.497 102 H SER 13 H SER 13 -16.453 -4.337 5.054 103 HA SER 13 HA SER 13 -15.014 -6.729 5.700 104 1HB SER 13 1HB SER 13 -17.218 -7.456 6.431 105 2HB SER 13 2HB SER 13 -17.927 -6.942 4.901 106 HG SER 13 HG SER 13 -17.574 -9.091 4.684 107 H THR 14 H THR 14 -17.413 -5.768 3.241 108 HA THR 14 HA THR 14 -15.416 -6.322 1.163 109 HB THR 14 HB THR 14 -17.365 -6.202 -0.410 110 HG1 THR 14 HG1 THR 14 -19.079 -6.448 1.806 111 1HG2 THR 14 1HG2 THR 14 -16.574 -8.356 0.391 112 2HG2 THR 14 2HG2 THR 14 -18.333 -8.369 0.262 113 3HG2 THR 14 3HG2 THR 14 -17.565 -8.205 1.841 114 H ALA 15 H ALA 15 -16.006 -3.825 2.952 115 HA ALA 15 HA ALA 15 -16.501 -1.786 0.954 116 1HB ALA 15 1HB ALA 15 -17.456 -1.537 3.184 117 2HB ALA 15 2HB ALA 15 -16.345 -0.217 2.821 118 3HB ALA 15 3HB ALA 15 -15.838 -1.528 3.885 119 H LEU 16 H LEU 16 -13.876 -3.573 1.764 120 HA LEU 16 HA LEU 16 -11.753 -1.859 2.139 121 1HB LEU 16 1HB LEU 16 -10.325 -3.568 1.278 122 2HB LEU 16 2HB LEU 16 -11.628 -4.334 2.167 123 HG LEU 16 HG LEU 16 -11.665 -4.065 -0.835 124 1HD1 LEU 16 1HD1 LEU 16 -10.587 -6.327 0.841 125 2HD1 LEU 16 2HD1 LEU 16 -9.674 -5.304 -0.269 126 3HD1 LEU 16 3HD1 LEU 16 -10.897 -6.410 -0.892 127 1HD2 LEU 16 1HD2 LEU 16 -13.161 -5.790 1.134 128 2HD2 LEU 16 2HD2 LEU 16 -13.221 -5.998 -0.616 129 3HD2 LEU 16 3HD2 LEU 16 -13.822 -4.510 0.115 130 H SER 17 H SER 17 -13.761 -2.076 -0.600 131 HA SER 17 HA SER 17 -12.133 -1.446 -2.729 132 1HB SER 17 1HB SER 17 -14.524 -1.880 -2.988 133 2HB SER 17 2HB SER 17 -14.904 -0.376 -2.150 134 HG SER 17 HG SER 17 -14.961 0.255 -4.198 135 H ARG 18 H ARG 18 -13.405 0.717 -0.243 136 HA ARG 18 HA ARG 18 -11.254 2.512 -0.477 137 1HB ARG 18 1HB ARG 18 -12.493 2.991 -2.625 138 2HB ARG 18 2HB ARG 18 -13.821 3.588 -1.641 139 1HG ARG 18 1HG ARG 18 -12.471 5.414 -2.438 140 2HG ARG 18 2HG ARG 18 -12.341 5.280 -0.684 141 1HD ARG 18 1HD ARG 18 -10.204 4.136 -0.920 142 2HD ARG 18 2HD ARG 18 -10.341 4.217 -2.676 143 HE ARG 18 HE ARG 18 -10.470 6.787 -1.412 144 1HH1 ARG 18 1HH1 ARG 18 -8.335 4.315 -2.623 145 2HH1 ARG 18 2HH1 ARG 18 -7.016 5.405 -2.891 146 1HH2 ARG 18 1HH2 ARG 18 -8.740 8.230 -1.765 147 2HH2 ARG 18 2HH2 ARG 18 -7.246 7.629 -2.402 148 H MET 19 H MET 19 -11.252 2.452 1.745 149 HA MET 19 HA MET 19 -13.418 3.953 3.040 150 1HB MET 19 1HB MET 19 -12.329 1.275 3.800 151 2HB MET 19 2HB MET 19 -12.880 2.365 5.066 152 1HG MET 19 1HG MET 19 -14.545 1.465 2.727 153 2HG MET 19 2HG MET 19 -14.599 0.757 4.340 154 1HE MET 19 1HE MET 19 -17.978 2.784 4.021 155 2HE MET 19 2HE MET 19 -17.257 1.186 4.214 156 3HE MET 19 3HE MET 19 -17.129 2.031 2.671 157 H GLY 20 H GLY 20 -10.088 2.759 3.276 158 1HA GLY 20 1HA GLY 20 -8.411 4.562 3.649 159 2HA GLY 20 2HA GLY 20 -9.471 5.131 4.929 160 H ASP 21 H ASP 21 -9.279 4.291 6.938 161 HA ASP 21 HA ASP 21 -7.165 2.290 7.321 162 1HB ASP 21 1HB ASP 21 -7.214 3.109 9.708 163 2HB ASP 21 2HB ASP 21 -6.702 4.304 8.517 164 H GLU 22 H GLU 22 -10.543 2.889 7.804 165 HA GLU 22 HA GLU 22 -11.098 0.973 9.778 166 1HB GLU 22 1HB GLU 22 -12.898 1.910 7.540 167 2HB GLU 22 2HB GLU 22 -13.415 1.121 9.023 168 1HG GLU 22 1HG GLU 22 -12.545 3.020 10.311 169 2HG GLU 22 2HG GLU 22 -12.098 3.816 8.804 170 H ALA 23 H ALA 23 -10.662 0.685 6.318 171 HA ALA 23 HA ALA 23 -11.391 -2.158 6.458 172 1HB ALA 23 1HB ALA 23 -11.556 -2.073 4.026 173 2HB ALA 23 2HB ALA 23 -11.044 -0.386 4.047 174 3HB ALA 23 3HB ALA 23 -12.579 -0.852 4.781 175 H PHE 24 H PHE 24 -8.712 -0.320 6.768 176 HA PHE 24 HA PHE 24 -6.836 -1.510 5.052 177 1HB PHE 24 1HB PHE 24 -6.679 0.594 6.602 178 2HB PHE 24 2HB PHE 24 -6.057 -0.564 7.775 179 HD1 PHE 24 HD1 PHE 24 -5.225 1.595 5.126 180 HD2 PHE 24 HD2 PHE 24 -4.138 -2.105 6.922 181 HE1 PHE 24 HE1 PHE 24 -3.007 1.750 4.096 182 HE2 PHE 24 HE2 PHE 24 -1.914 -1.955 5.891 183 HZ PHE 24 HZ PHE 24 -1.344 -0.022 4.476 184 H GLU 25 H GLU 25 -7.681 -2.293 8.426 185 HA GLU 25 HA GLU 25 -5.814 -4.386 8.687 186 1HB GLU 25 1HB GLU 25 -8.013 -5.001 10.323 187 2HB GLU 25 2HB GLU 25 -6.477 -4.295 10.793 188 1HG GLU 25 1HG GLU 25 -7.424 -2.053 10.265 189 2HG GLU 25 2HG GLU 25 -8.982 -2.832 9.995 190 HA PRO 26 HA PRO 26 -9.806 -7.307 7.743 191 1HB PRO 26 1HB PRO 26 -10.541 -5.518 5.451 192 2HB PRO 26 2HB PRO 26 -11.564 -6.611 6.392 193 1HG PRO 26 1HG PRO 26 -11.583 -3.984 6.856 194 2HG PRO 26 2HG PRO 26 -11.712 -5.151 8.183 195 1HD PRO 26 1HD PRO 26 -9.443 -3.410 7.420 196 2HD PRO 26 2HD PRO 26 -9.858 -4.099 8.999 197 H LEU 27 H LEU 27 -7.696 -5.425 5.745 198 HA LEU 27 HA LEU 27 -7.351 -7.343 3.649 199 1HB LEU 27 1HB LEU 27 -5.817 -4.908 4.534 200 2HB LEU 27 2HB LEU 27 -5.378 -5.849 3.115 201 HG LEU 27 HG LEU 27 -8.103 -4.602 3.421 202 1HD1 LEU 27 1HD1 LEU 27 -6.456 -2.820 3.613 203 2HD1 LEU 27 2HD1 LEU 27 -7.293 -2.738 2.064 204 3HD1 LEU 27 3HD1 LEU 27 -5.655 -3.387 2.148 205 1HD2 LEU 27 1HD2 LEU 27 -7.921 -6.346 1.746 206 2HD2 LEU 27 2HD2 LEU 27 -6.511 -5.552 1.041 207 3HD2 LEU 27 3HD2 LEU 27 -8.091 -4.773 0.965 208 H LEU 28 H LEU 28 -5.338 -6.196 6.334 209 HA LEU 28 HA LEU 28 -3.268 -8.094 6.007 210 1HB LEU 28 1HB LEU 28 -2.747 -6.098 7.156 211 2HB LEU 28 2HB LEU 28 -4.108 -6.270 8.244 212 HG LEU 28 HG LEU 28 -2.981 -8.176 9.336 213 1HD1 LEU 28 1HD1 LEU 28 -1.629 -9.018 7.547 214 2HD1 LEU 28 2HD1 LEU 28 -0.559 -8.513 8.855 215 3HD1 LEU 28 3HD1 LEU 28 -0.750 -7.495 7.428 216 1HD2 LEU 28 1HD2 LEU 28 -2.732 -5.955 10.268 217 2HD2 LEU 28 2HD2 LEU 28 -1.372 -5.629 9.192 218 3HD2 LEU 28 3HD2 LEU 28 -1.227 -6.858 10.449 219 H GLU 29 H GLU 29 -6.358 -8.208 7.540 220 HA GLU 29 HA GLU 29 -5.777 -10.403 9.283 221 1HB GLU 29 1HB GLU 29 -8.374 -9.171 8.360 222 2HB GLU 29 2HB GLU 29 -8.291 -10.506 9.501 223 1HG GLU 29 1HG GLU 29 -7.051 -7.795 9.908 224 2HG GLU 29 2HG GLU 29 -8.578 -8.337 10.601 225 H SER 30 H SER 30 -7.331 -10.003 6.134 226 HA SER 30 HA SER 30 -8.075 -12.708 5.791 227 1HB SER 30 1HB SER 30 -7.540 -10.575 3.707 228 2HB SER 30 2HB SER 30 -8.354 -12.110 3.408 229 HG SER 30 HG SER 30 -9.585 -11.009 5.445 230 H LEU 31 H LEU 31 -5.042 -11.249 5.812 231 HA LEU 31 HA LEU 31 -3.717 -12.757 3.816 232 1HB LEU 31 1HB LEU 31 -2.645 -11.430 6.305 233 2HB LEU 31 2HB LEU 31 -1.639 -12.136 5.057 234 HG LEU 31 HG LEU 31 -3.418 -9.714 4.823 235 1HD1 LEU 31 1HD1 LEU 31 -1.237 -9.351 5.849 236 2HD1 LEU 31 2HD1 LEU 31 -1.328 -8.591 4.262 237 3HD1 LEU 31 3HD1 LEU 31 -0.452 -10.108 4.465 238 1HD2 LEU 31 1HD2 LEU 31 -3.675 -10.996 2.785 239 2HD2 LEU 31 2HD2 LEU 31 -1.927 -11.176 2.646 240 3HD2 LEU 31 3HD2 LEU 31 -2.666 -9.583 2.479 241 H SER 32 H SER 32 -5.068 -13.701 6.731 242 HA SER 32 HA SER 32 -3.211 -15.942 7.074 243 1HB SER 32 1HB SER 32 -3.839 -14.600 9.081 244 2HB SER 32 2HB SER 32 -5.513 -15.102 8.853 245 HG SER 32 HG SER 32 -4.309 -16.401 10.369 246 H ASN 33 H ASN 33 -5.488 -15.455 5.026 247 HA ASN 33 HA ASN 33 -7.448 -17.451 5.515 248 1HB ASN 33 1HB ASN 33 -7.588 -15.463 3.904 249 2HB ASN 33 2HB ASN 33 -6.637 -16.442 2.791 250 1HD2 ASN 33 1HD2 ASN 33 -9.708 -15.932 4.242 251 2HD2 ASN 33 2HD2 ASN 33 -10.578 -17.119 3.337 252 H GLU 34 H GLU 34 -7.684 -19.502 4.549 253 HA GLU 34 HA GLU 34 -5.347 -21.066 4.457 254 1HB GLU 34 1HB GLU 34 -6.857 -22.863 3.605 255 2HB GLU 34 2HB GLU 34 -7.435 -22.082 5.071 256 1HG GLU 34 1HG GLU 34 -9.001 -20.759 3.782 257 2HG GLU 34 2HG GLU 34 -8.390 -21.463 2.285 258 H ASP 35 H ASP 35 -7.342 -19.653 1.910 259 HA ASP 35 HA ASP 35 -5.898 -20.910 -0.223 260 1HB ASP 35 1HB ASP 35 -7.719 -18.499 -0.357 261 2HB ASP 35 2HB ASP 35 -7.241 -19.536 -1.698 262 H TRP 36 H TRP 36 -4.633 -19.783 -1.823 263 HA TRP 36 HA TRP 36 -2.968 -17.698 -0.606 264 1HB TRP 36 1HB TRP 36 -2.378 -19.267 -3.118 265 2HB TRP 36 2HB TRP 36 -1.247 -18.341 -2.135 266 HD1 TRP 36 HD1 TRP 36 -2.138 -19.561 0.710 267 HE1 TRP 36 HE1 TRP 36 -1.432 -21.969 1.294 268 HE3 TRP 36 HE3 TRP 36 -1.265 -21.323 -4.007 269 HZ2 TRP 36 HZ2 TRP 36 -0.617 -24.300 -0.059 270 HZ3 TRP 36 HZ3 TRP 36 -0.525 -23.655 -4.274 271 HH2 TRP 36 HH2 TRP 36 -0.208 -25.108 -2.337 272 H ARG 37 H ARG 37 -5.005 -18.377 -3.356 273 HA ARG 37 HA ARG 37 -4.369 -16.121 -4.912 274 1HB ARG 37 1HB ARG 37 -5.553 -18.061 -5.818 275 2HB ARG 37 2HB ARG 37 -6.930 -17.722 -4.780 276 1HG ARG 37 1HG ARG 37 -7.396 -15.694 -5.950 277 2HG ARG 37 2HG ARG 37 -5.909 -15.840 -6.889 278 1HD ARG 37 1HD ARG 37 -8.249 -17.743 -6.979 279 2HD ARG 37 2HD ARG 37 -7.876 -16.515 -8.188 280 HE ARG 37 HE ARG 37 -5.772 -18.438 -7.674 281 1HH1 ARG 37 1HH1 ARG 37 -8.527 -17.576 -9.628 282 2HH1 ARG 37 2HH1 ARG 37 -8.056 -18.575 -10.961 283 1HH2 ARG 37 1HH2 ARG 37 -5.146 -19.756 -9.426 284 2HH2 ARG 37 2HH2 ARG 37 -6.135 -19.814 -10.846 285 H ILE 38 H ILE 38 -6.936 -16.696 -2.522 286 HA ILE 38 HA ILE 38 -8.199 -14.204 -2.739 287 HB ILE 38 HB ILE 38 -7.980 -15.856 -0.220 288 1HG1 ILE 38 1HG1 ILE 38 -10.043 -16.063 -2.427 289 2HG1 ILE 38 2HG1 ILE 38 -8.714 -17.195 -2.196 290 1HG2 ILE 38 1HG2 ILE 38 -8.897 -13.660 0.170 291 2HG2 ILE 38 2HG2 ILE 38 -10.190 -14.856 0.273 292 3HG2 ILE 38 3HG2 ILE 38 -10.026 -13.856 -1.171 293 1HD1 ILE 38 1HD1 ILE 38 -11.005 -16.685 -0.317 294 2HD1 ILE 38 2HD1 ILE 38 -9.623 -17.720 0.047 295 3HD1 ILE 38 3HD1 ILE 38 -10.711 -18.134 -1.279 296 H ARG 39 H ARG 39 -5.473 -15.283 -0.784 297 HA ARG 39 HA ARG 39 -5.186 -12.962 0.786 298 1HB ARG 39 1HB ARG 39 -4.092 -15.076 1.354 299 2HB ARG 39 2HB ARG 39 -3.109 -14.977 -0.100 300 1HG ARG 39 1HG ARG 39 -2.088 -12.903 0.786 301 2HG ARG 39 2HG ARG 39 -3.004 -13.133 2.277 302 1HD ARG 39 1HD ARG 39 -0.943 -15.009 1.124 303 2HD ARG 39 2HD ARG 39 -0.743 -13.974 2.539 304 HE ARG 39 HE ARG 39 -2.929 -15.547 3.084 305 1HH1 ARG 39 1HH1 ARG 39 0.419 -16.101 2.291 306 2HH1 ARG 39 2HH1 ARG 39 0.521 -17.577 3.190 307 1HH2 ARG 39 1HH2 ARG 39 -2.802 -17.490 4.273 308 2HH2 ARG 39 2HH2 ARG 39 -1.309 -18.368 4.316 309 H GLY 40 H GLY 40 -4.490 -13.629 -2.499 310 1HA GLY 40 1HA GLY 40 -2.390 -11.798 -2.957 311 2HA GLY 40 2HA GLY 40 -3.496 -12.420 -4.172 312 H ALA 41 H ALA 41 -5.864 -11.436 -3.691 313 HA ALA 41 HA ALA 41 -5.912 -8.878 -4.609 314 1HB ALA 41 1HB ALA 41 -7.961 -10.076 -2.751 315 2HB ALA 41 2HB ALA 41 -7.873 -10.351 -4.491 316 3HB ALA 41 3HB ALA 41 -8.215 -8.737 -3.870 317 H ALA 42 H ALA 42 -5.675 -9.885 -1.236 318 HA ALA 42 HA ALA 42 -6.058 -7.315 -0.104 319 1HB ALA 42 1HB ALA 42 -4.583 -9.692 1.029 320 2HB ALA 42 2HB ALA 42 -6.308 -9.366 1.201 321 3HB ALA 42 3HB ALA 42 -5.128 -8.281 1.938 322 H ALA 43 H ALA 43 -3.126 -9.189 -0.798 323 HA ALA 43 HA ALA 43 -1.240 -7.235 -0.011 324 1HB ALA 43 1HB ALA 43 -0.992 -9.478 -2.016 325 2HB ALA 43 2HB ALA 43 -0.677 -9.586 -0.284 326 3HB ALA 43 3HB ALA 43 0.348 -8.578 -1.307 327 H TRP 44 H TRP 44 -2.988 -7.818 -2.976 328 HA TRP 44 HA TRP 44 -1.407 -6.197 -4.678 329 1HB TRP 44 1HB TRP 44 -4.057 -7.550 -4.868 330 2HB TRP 44 2HB TRP 44 -3.651 -6.326 -6.063 331 HD1 TRP 44 HD1 TRP 44 -1.817 -9.413 -4.567 332 HE1 TRP 44 HE1 TRP 44 -0.646 -10.646 -6.496 333 HE3 TRP 44 HE3 TRP 44 -3.181 -6.356 -8.433 334 HZ2 TRP 44 HZ2 TRP 44 -0.337 -10.365 -9.283 335 HZ3 TRP 44 HZ3 TRP 44 -2.410 -6.913 -10.702 336 HH2 TRP 44 HH2 TRP 44 -1.020 -8.878 -11.117 337 H ILE 45 H ILE 45 -4.213 -5.561 -2.648 338 HA ILE 45 HA ILE 45 -4.428 -2.856 -3.753 339 HB ILE 45 HB ILE 45 -6.273 -4.241 -1.806 340 1HG1 ILE 45 1HG1 ILE 45 -6.582 -3.813 -4.786 341 2HG1 ILE 45 2HG1 ILE 45 -6.180 -5.347 -4.026 342 1HG2 ILE 45 1HG2 ILE 45 -7.854 -2.445 -2.483 343 2HG2 ILE 45 2HG2 ILE 45 -6.532 -1.671 -3.359 344 3HG2 ILE 45 3HG2 ILE 45 -6.442 -1.855 -1.607 345 1HD1 ILE 45 1HD1 ILE 45 -8.733 -3.804 -3.632 346 2HD1 ILE 45 2HD1 ILE 45 -8.331 -5.348 -2.881 347 3HD1 ILE 45 3HD1 ILE 45 -8.528 -5.242 -4.630 348 H ILE 46 H ILE 46 -3.216 -4.517 -1.006 349 HA ILE 46 HA ILE 46 -3.559 -2.589 0.987 350 HB ILE 46 HB ILE 46 -2.605 -5.039 1.090 351 1HG1 ILE 46 1HG1 ILE 46 -1.558 -2.923 2.972 352 2HG1 ILE 46 2HG1 ILE 46 -3.231 -3.474 2.955 353 1HG2 ILE 46 1HG2 ILE 46 -0.240 -5.196 1.374 354 2HG2 ILE 46 2HG2 ILE 46 -0.049 -3.453 1.193 355 3HG2 ILE 46 3HG2 ILE 46 -0.547 -4.432 -0.187 356 1HD1 ILE 46 1HD1 ILE 46 -1.904 -4.552 4.705 357 2HD1 ILE 46 2HD1 ILE 46 -0.839 -5.222 3.468 358 3HD1 ILE 46 3HD1 ILE 46 -2.530 -5.713 3.534 359 H GLY 47 H GLY 47 -1.050 -2.875 -1.494 360 1HA GLY 47 1HA GLY 47 0.546 -0.752 -0.404 361 2HA GLY 47 2HA GLY 47 0.743 -1.498 -1.982 362 H ASN 48 H ASN 48 -2.307 -0.829 -2.230 363 HA ASN 48 HA ASN 48 -1.912 1.519 -3.787 364 1HB ASN 48 1HB ASN 48 -4.437 0.096 -2.925 365 2HB ASN 48 2HB ASN 48 -4.406 1.450 -4.046 366 1HD2 ASN 48 1HD2 ASN 48 -2.007 -1.117 -3.891 367 2HD2 ASN 48 2HD2 ASN 48 -2.375 -1.802 -5.431 368 H PHE 49 H PHE 49 -2.513 1.019 -0.471 369 HA PHE 49 HA PHE 49 -3.894 3.516 -0.029 370 1HB PHE 49 1HB PHE 49 -2.733 1.472 1.867 371 2HB PHE 49 2HB PHE 49 -3.571 2.928 2.395 372 HD1 PHE 49 HD1 PHE 49 -5.924 3.057 2.392 373 HD2 PHE 49 HD2 PHE 49 -3.967 -0.260 0.585 374 HE1 PHE 49 HE1 PHE 49 -8.079 1.880 2.228 375 HE2 PHE 49 HE2 PHE 49 -6.117 -1.443 0.415 376 HZ PHE 49 HZ PHE 49 -8.177 -0.373 1.239 377 H GLN 50 H GLN 50 -0.628 2.423 -0.164 378 HA GLN 50 HA GLN 50 1.376 3.467 0.100 379 1HB GLN 50 1HB GLN 50 -0.371 5.920 -0.138 380 2HB GLN 50 2HB GLN 50 1.387 5.965 -0.126 381 1HG GLN 50 1HG GLN 50 1.364 5.676 -2.312 382 2HG GLN 50 2HG GLN 50 0.684 4.069 -2.053 383 1HE2 GLN 50 1HE2 GLN 50 0.250 5.969 -4.231 384 2HE2 GLN 50 2HE2 GLN 50 -1.451 6.260 -4.279 385 H ASP 51 H ASP 51 -0.345 2.832 2.450 386 HA ASP 51 HA ASP 51 0.485 4.851 4.389 387 1HB ASP 51 1HB ASP 51 -1.831 3.592 4.280 388 2HB ASP 51 2HB ASP 51 -0.951 2.350 5.171 389 H GLU 52 H GLU 52 1.432 4.121 6.450 390 HA GLU 52 HA GLU 52 3.820 2.674 6.018 391 1HB GLU 52 1HB GLU 52 3.980 4.301 7.672 392 2HB GLU 52 2HB GLU 52 2.451 3.845 8.410 393 1HG GLU 52 1HG GLU 52 4.286 3.249 9.853 394 2HG GLU 52 2HG GLU 52 3.479 1.797 9.262 395 H ARG 53 H ARG 53 0.707 1.816 7.383 396 HA ARG 53 HA ARG 53 1.444 -0.641 8.548 397 1HB ARG 53 1HB ARG 53 -0.646 0.581 9.053 398 2HB ARG 53 2HB ARG 53 -1.245 0.202 7.447 399 1HG ARG 53 1HG ARG 53 -1.512 -2.057 7.946 400 2HG ARG 53 2HG ARG 53 -0.448 -1.967 9.353 401 1HD ARG 53 1HD ARG 53 -3.200 -0.766 9.073 402 2HD ARG 53 2HD ARG 53 -2.740 -2.132 10.089 403 HE ARG 53 HE ARG 53 -1.164 -0.215 11.058 404 1HH1 ARG 53 1HH1 ARG 53 -4.559 -0.188 10.270 405 2HH1 ARG 53 2HH1 ARG 53 -4.959 0.994 11.472 406 1HH2 ARG 53 1HH2 ARG 53 -1.684 1.340 12.642 407 2HH2 ARG 53 2HH2 ARG 53 -3.325 1.861 12.819 408 H ALA 54 H ALA 54 1.357 0.250 5.314 409 HA ALA 54 HA ALA 54 0.777 -2.472 4.379 410 1HB ALA 54 1HB ALA 54 0.904 0.170 2.952 411 2HB ALA 54 2HB ALA 54 -0.497 -0.873 3.200 412 3HB ALA 54 3HB ALA 54 0.792 -1.373 2.106 413 H VAL 55 H VAL 55 3.406 -1.379 5.618 414 HA VAL 55 HA VAL 55 5.217 -1.775 3.365 415 HB VAL 55 HB VAL 55 7.021 -1.146 4.842 416 1HG1 VAL 55 1HG1 VAL 55 4.645 0.680 5.165 417 2HG1 VAL 55 2HG1 VAL 55 5.744 0.637 3.787 418 3HG1 VAL 55 3HG1 VAL 55 6.334 1.139 5.372 419 1HG2 VAL 55 1HG2 VAL 55 6.368 -2.186 6.900 420 2HG2 VAL 55 2HG2 VAL 55 4.937 -1.164 7.019 421 3HG2 VAL 55 3HG2 VAL 55 6.543 -0.455 7.187 422 H GLU 56 H GLU 56 4.548 -3.298 6.523 423 HA GLU 56 HA GLU 56 6.505 -5.287 6.340 424 1HB GLU 56 1HB GLU 56 5.064 -4.627 8.363 425 2HB GLU 56 2HB GLU 56 3.871 -5.742 7.708 426 1HG GLU 56 1HG GLU 56 5.043 -7.034 9.236 427 2HG GLU 56 2HG GLU 56 5.773 -7.458 7.683 428 HA PRO 57 HA PRO 57 2.760 -8.097 4.534 429 1HB PRO 57 1HB PRO 57 1.868 -5.853 2.771 430 2HB PRO 57 2HB PRO 57 0.941 -7.211 3.419 431 1HG PRO 57 1HG PRO 57 0.726 -4.793 4.504 432 2HG PRO 57 2HG PRO 57 0.743 -6.247 5.521 433 1HD PRO 57 1HD PRO 57 2.863 -4.206 5.096 434 2HD PRO 57 2HD PRO 57 2.514 -5.194 6.528 435 H LEU 58 H LEU 58 3.969 -5.438 2.496 436 HA LEU 58 HA LEU 58 4.610 -6.980 0.275 437 1HB LEU 58 1HB LEU 58 6.264 -4.605 1.048 438 2HB LEU 58 2HB LEU 58 5.755 -5.120 -0.548 439 HG LEU 58 HG LEU 58 4.016 -3.840 1.558 440 1HD1 LEU 58 1HD1 LEU 58 4.925 -2.847 -1.138 441 2HD1 LEU 58 2HD1 LEU 58 5.553 -2.309 0.420 442 3HD1 LEU 58 3HD1 LEU 58 3.871 -1.993 -0.010 443 1HD2 LEU 58 1HD2 LEU 58 3.313 -4.857 -1.191 444 2HD2 LEU 58 2HD2 LEU 58 2.269 -3.851 -0.187 445 3HD2 LEU 58 3HD2 LEU 58 2.712 -5.471 0.349 446 H ILE 59 H ILE 59 6.477 -6.295 3.180 447 HA ILE 59 HA ILE 59 8.954 -7.247 2.272 448 HB ILE 59 HB ILE 59 7.868 -7.053 5.070 449 1HG1 ILE 59 1HG1 ILE 59 9.807 -5.321 3.517 450 2HG1 ILE 59 2HG1 ILE 59 8.124 -4.926 3.843 451 1HG2 ILE 59 1HG2 ILE 59 9.626 -8.743 4.991 452 2HG2 ILE 59 2HG2 ILE 59 10.184 -7.297 5.833 453 3HG2 ILE 59 3HG2 ILE 59 10.697 -7.604 4.174 454 1HD1 ILE 59 1HD1 ILE 59 8.576 -4.791 6.206 455 2HD1 ILE 59 2HD1 ILE 59 9.694 -3.753 5.321 456 3HD1 ILE 59 3HD1 ILE 59 10.241 -5.309 5.946 457 H LYS 60 H LYS 60 6.634 -8.919 4.420 458 HA LYS 60 HA LYS 60 8.045 -11.372 4.346 459 1HB LYS 60 1HB LYS 60 5.951 -12.333 5.308 460 2HB LYS 60 2HB LYS 60 6.570 -10.937 6.180 461 1HG LYS 60 1HG LYS 60 4.837 -9.584 5.523 462 2HG LYS 60 2HG LYS 60 4.505 -10.532 4.073 463 1HD LYS 60 1HD LYS 60 3.565 -12.314 5.414 464 2HD LYS 60 2HD LYS 60 3.982 -11.453 6.897 465 1HE LYS 60 1HE LYS 60 2.104 -10.412 4.778 466 2HE LYS 60 2HE LYS 60 1.591 -11.237 6.249 467 1HZ LYS 60 1HZ LYS 60 2.641 -9.483 7.548 468 2HZ LYS 60 2HZ LYS 60 1.473 -8.844 6.505 469 3HZ LYS 60 3HZ LYS 60 3.115 -8.689 6.131 470 H LEU 61 H LEU 61 5.384 -10.093 2.449 471 HA LEU 61 HA LEU 61 4.514 -12.375 1.152 472 1HB LEU 61 1HB LEU 61 4.532 -9.479 0.549 473 2HB LEU 61 2HB LEU 61 4.209 -10.559 -0.791 474 HG LEU 61 HG LEU 61 2.191 -11.247 0.060 475 1HD1 LEU 61 1HD1 LEU 61 1.506 -11.041 2.417 476 2HD1 LEU 61 2HD1 LEU 61 3.092 -10.378 2.804 477 3HD1 LEU 61 3HD1 LEU 61 2.948 -12.037 2.224 478 1HD2 LEU 61 1HD2 LEU 61 2.518 -8.469 1.173 479 2HD2 LEU 61 2HD2 LEU 61 0.986 -9.270 0.832 480 3HD2 LEU 61 3HD2 LEU 61 2.090 -8.880 -0.487 481 H LEU 62 H LEU 62 7.031 -10.104 0.067 482 HA LEU 62 HA LEU 62 7.694 -11.439 -2.291 483 1HB LEU 62 1HB LEU 62 9.412 -9.726 -0.501 484 2HB LEU 62 2HB LEU 62 9.855 -10.222 -2.124 485 HG LEU 62 HG LEU 62 7.378 -8.614 -1.513 486 1HD1 LEU 62 1HD1 LEU 62 8.554 -6.640 -2.118 487 2HD1 LEU 62 2HD1 LEU 62 9.996 -7.557 -2.555 488 3HD1 LEU 62 3HD1 LEU 62 9.500 -7.444 -0.866 489 1HD2 LEU 62 1HD2 LEU 62 8.878 -9.130 -4.078 490 2HD2 LEU 62 2HD2 LEU 62 7.439 -8.126 -3.900 491 3HD2 LEU 62 3HD2 LEU 62 7.344 -9.863 -3.613 492 H GLU 63 H GLU 63 8.217 -12.333 0.932 493 HA GLU 63 HA GLU 63 10.388 -14.170 0.235 494 1HB GLU 63 1HB GLU 63 9.462 -12.862 2.703 495 2HB GLU 63 2HB GLU 63 9.938 -14.544 2.904 496 1HG GLU 63 1HG GLU 63 11.804 -13.097 3.355 497 2HG GLU 63 2HG GLU 63 12.112 -14.025 1.889 498 H ASP 64 H ASP 64 7.002 -14.056 0.897 499 HA ASP 64 HA ASP 64 6.563 -16.673 1.796 500 1HB ASP 64 1HB ASP 64 4.841 -14.640 0.436 501 2HB ASP 64 2HB ASP 64 4.231 -16.272 0.704 502 H ASP 65 H ASP 65 6.905 -15.345 -1.375 503 HA ASP 65 HA ASP 65 7.113 -16.267 -3.449 504 1HB ASP 65 1HB ASP 65 8.983 -17.430 -2.226 505 2HB ASP 65 2HB ASP 65 7.890 -18.786 -1.968 506 H SER 66 H SER 66 4.522 -16.487 -2.015 507 HA SER 66 HA SER 66 3.386 -19.029 -2.682 508 1HB SER 66 1HB SER 66 2.549 -17.413 -0.895 509 2HB SER 66 2HB SER 66 1.846 -16.481 -2.215 510 HG SER 66 HG SER 66 0.510 -18.177 -1.118 511 H GLY 67 H GLY 67 4.213 -16.336 -4.532 512 1HA GLY 67 1HA GLY 67 4.065 -16.372 -6.910 513 2HA GLY 67 2HA GLY 67 2.621 -17.367 -6.776 514 H PHE 68 H PHE 68 0.657 -16.329 -5.964 515 HA PHE 68 HA PHE 68 0.234 -13.787 -7.198 516 1HB PHE 68 1HB PHE 68 -1.423 -15.800 -6.704 517 2HB PHE 68 2HB PHE 68 -1.697 -14.915 -5.209 518 HD1 PHE 68 HD1 PHE 68 -1.979 -12.214 -5.735 519 HD2 PHE 68 HD2 PHE 68 -2.979 -15.455 -8.318 520 HE1 PHE 68 HE1 PHE 68 -3.616 -10.791 -6.893 521 HE2 PHE 68 HE2 PHE 68 -4.609 -14.029 -9.480 522 HZ PHE 68 HZ PHE 68 -4.929 -11.694 -8.769 523 H VAL 69 H VAL 69 0.605 -14.959 -3.908 524 HA VAL 69 HA VAL 69 0.089 -12.476 -2.616 525 HB VAL 69 HB VAL 69 1.697 -14.781 -1.523 526 1HG1 VAL 69 1HG1 VAL 69 1.793 -12.795 -0.167 527 2HG1 VAL 69 2HG1 VAL 69 0.812 -14.018 0.636 528 3HG1 VAL 69 3HG1 VAL 69 0.035 -12.661 -0.181 529 1HG2 VAL 69 1HG2 VAL 69 -0.402 -15.631 -2.438 530 2HG2 VAL 69 2HG2 VAL 69 -1.299 -14.432 -1.505 531 3HG2 VAL 69 3HG2 VAL 69 -0.401 -15.702 -0.675 532 H ARG 70 H ARG 70 3.014 -14.183 -3.628 533 HA ARG 70 HA ARG 70 4.865 -12.362 -2.506 534 1HB ARG 70 1HB ARG 70 5.235 -14.777 -3.323 535 2HB ARG 70 2HB ARG 70 5.402 -14.072 -4.922 536 1HG ARG 70 1HG ARG 70 7.065 -13.132 -2.617 537 2HG ARG 70 2HG ARG 70 7.523 -14.532 -3.581 538 1HD ARG 70 1HD ARG 70 7.029 -11.755 -4.651 539 2HD ARG 70 2HD ARG 70 8.614 -12.467 -4.350 540 HE ARG 70 HE ARG 70 6.743 -13.218 -6.473 541 1HH1 ARG 70 1HH1 ARG 70 9.838 -13.590 -4.917 542 2HH1 ARG 70 2HH1 ARG 70 10.553 -14.428 -6.253 543 1HH2 ARG 70 1HH2 ARG 70 7.677 -14.321 -8.238 544 2HH2 ARG 70 2HH2 ARG 70 9.325 -14.843 -8.141 545 H SER 71 H SER 71 3.904 -12.836 -5.914 546 HA SER 71 HA SER 71 5.255 -10.635 -6.956 547 1HB SER 71 1HB SER 71 2.723 -11.947 -7.952 548 2HB SER 71 2HB SER 71 3.712 -10.820 -8.881 549 HG SER 71 HG SER 71 4.581 -13.310 -7.829 550 H GLY 72 H GLY 72 2.077 -10.843 -5.475 551 1HA GLY 72 1HA GLY 72 1.005 -8.405 -6.271 552 2HA GLY 72 2HA GLY 72 0.642 -9.207 -4.751 553 H ALA 73 H ALA 73 3.432 -9.082 -3.859 554 HA ALA 73 HA ALA 73 3.316 -6.536 -2.589 555 1HB ALA 73 1HB ALA 73 5.539 -7.244 -1.642 556 2HB ALA 73 2HB ALA 73 5.372 -8.730 -2.578 557 3HB ALA 73 3HB ALA 73 4.190 -8.335 -1.329 558 H ALA 74 H ALA 74 5.612 -7.965 -4.924 559 HA ALA 74 HA ALA 74 7.427 -5.942 -5.174 560 1HB ALA 74 1HB ALA 74 7.918 -6.765 -7.384 561 2HB ALA 74 2HB ALA 74 6.349 -7.565 -7.471 562 3HB ALA 74 3HB ALA 74 7.560 -8.122 -6.316 563 H ARG 75 H ARG 75 4.343 -6.187 -6.930 564 HA ARG 75 HA ARG 75 4.727 -3.774 -8.378 565 1HB ARG 75 1HB ARG 75 2.290 -3.998 -8.894 566 2HB ARG 75 2HB ARG 75 3.246 -5.424 -9.276 567 1HG ARG 75 1HG ARG 75 2.500 -6.437 -7.142 568 2HG ARG 75 2HG ARG 75 1.456 -5.036 -6.887 569 1HD ARG 75 1HD ARG 75 0.237 -6.939 -7.850 570 2HD ARG 75 2HD ARG 75 0.239 -5.538 -8.921 571 HE ARG 75 HE ARG 75 1.973 -7.897 -9.288 572 1HH1 ARG 75 1HH1 ARG 75 0.064 -5.268 -10.552 573 2HH1 ARG 75 2HH1 ARG 75 0.338 -5.698 -12.207 574 1HH2 ARG 75 1HH2 ARG 75 2.335 -8.468 -11.464 575 2HH2 ARG 75 2HH2 ARG 75 1.628 -7.514 -12.726 576 H SER 76 H SER 76 3.362 -4.524 -5.253 577 HA SER 76 HA SER 76 1.896 -2.148 -4.876 578 1HB SER 76 1HB SER 76 3.098 -4.107 -2.925 579 2HB SER 76 2HB SER 76 2.129 -2.726 -2.415 580 HG SER 76 HG SER 76 1.138 -4.484 -4.370 581 H LEU 77 H LEU 77 5.276 -2.953 -4.203 582 HA LEU 77 HA LEU 77 5.953 -0.744 -2.652 583 1HB LEU 77 1HB LEU 77 7.530 -2.431 -4.568 584 2HB LEU 77 2HB LEU 77 8.270 -1.053 -3.777 585 HG LEU 77 HG LEU 77 7.532 -2.132 -1.573 586 1HD1 LEU 77 1HD1 LEU 77 5.959 -3.733 -2.454 587 2HD1 LEU 77 2HD1 LEU 77 7.286 -4.575 -1.656 588 3HD1 LEU 77 3HD1 LEU 77 7.226 -4.492 -3.416 589 1HD2 LEU 77 1HD2 LEU 77 9.514 -3.489 -1.466 590 2HD2 LEU 77 2HD2 LEU 77 9.855 -2.041 -2.412 591 3HD2 LEU 77 3HD2 LEU 77 9.591 -3.585 -3.225 592 H GLU 78 H GLU 78 6.461 -1.080 -6.164 593 HA GLU 78 HA GLU 78 7.214 1.528 -6.698 594 1HB GLU 78 1HB GLU 78 5.657 -0.336 -8.489 595 2HB GLU 78 2HB GLU 78 6.533 1.092 -9.019 596 1HG GLU 78 1HG GLU 78 8.624 0.070 -8.209 597 2HG GLU 78 2HG GLU 78 7.719 -1.381 -7.783 598 H GLN 79 H GLN 79 3.973 0.200 -6.379 599 HA GLN 79 HA GLN 79 2.554 2.363 -7.463 600 1HB GLN 79 1HB GLN 79 1.803 0.251 -5.455 601 2HB GLN 79 2HB GLN 79 0.662 1.479 -5.990 602 1HG GLN 79 1HG GLN 79 0.816 0.715 -8.259 603 2HG GLN 79 2HG GLN 79 2.101 -0.412 -7.832 604 1HE2 GLN 79 1HE2 GLN 79 0.796 -1.136 -5.308 605 2HE2 GLN 79 2HE2 GLN 79 -0.504 -2.185 -5.739 606 H ILE 80 H ILE 80 4.147 2.032 -4.399 607 HA ILE 80 HA ILE 80 2.643 4.231 -3.225 608 HB ILE 80 HB ILE 80 5.007 2.777 -2.044 609 1HG1 ILE 80 1HG1 ILE 80 2.070 2.253 -1.543 610 2HG1 ILE 80 2HG1 ILE 80 3.066 1.281 -2.621 611 1HG2 ILE 80 1HG2 ILE 80 4.015 3.600 0.093 612 2HG2 ILE 80 2HG2 ILE 80 2.889 4.562 -0.863 613 3HG2 ILE 80 3HG2 ILE 80 4.619 4.876 -0.964 614 1HD1 ILE 80 1HD1 ILE 80 3.511 1.651 0.331 615 2HD1 ILE 80 2HD1 ILE 80 4.498 0.667 -0.748 616 3HD1 ILE 80 3HD1 ILE 80 2.818 0.229 -0.446 617 H GLY 81 H GLY 81 6.137 3.574 -3.686 618 1HA GLY 81 1HA GLY 81 7.879 4.982 -4.205 619 2HA GLY 81 2HA GLY 81 6.687 6.050 -4.928 620 H GLY 82 H GLY 82 9.103 6.064 -2.789 621 1HA GLY 82 1HA GLY 82 9.059 8.451 -1.740 622 2HA GLY 82 2HA GLY 82 7.750 7.754 -0.800 623 H GLU 83 H GLU 83 9.310 8.505 0.923 624 HA GLU 83 HA GLU 83 11.695 7.015 1.379 625 1HB GLU 83 1HB GLU 83 11.292 9.307 2.241 626 2HB GLU 83 2HB GLU 83 10.098 8.649 3.351 627 1HG GLU 83 1HG GLU 83 11.845 7.280 4.396 628 2HG GLU 83 2HG GLU 83 13.034 7.986 3.302 629 H ARG 84 H ARG 84 8.372 6.381 2.086 630 HA ARG 84 HA ARG 84 8.619 4.878 4.424 631 1HB ARG 84 1HB ARG 84 6.410 4.034 3.994 632 2HB ARG 84 2HB ARG 84 6.477 5.733 3.571 633 1HG ARG 84 1HG ARG 84 6.499 3.416 1.643 634 2HG ARG 84 2HG ARG 84 5.141 4.485 1.981 635 1HD ARG 84 1HD ARG 84 5.963 5.402 0.038 636 2HD ARG 84 2HD ARG 84 6.808 6.361 1.251 637 HE ARG 84 HE ARG 84 8.792 5.248 0.724 638 1HH1 ARG 84 1HH1 ARG 84 6.117 4.068 -1.161 639 2HH1 ARG 84 2HH1 ARG 84 7.119 3.226 -2.294 640 1HH2 ARG 84 1HH2 ARG 84 10.117 4.127 -0.747 641 2HH2 ARG 84 2HH2 ARG 84 9.394 3.258 -2.055 642 H VAL 85 H VAL 85 8.123 3.437 1.168 643 HA VAL 85 HA VAL 85 8.951 0.875 2.070 644 HB VAL 85 HB VAL 85 8.759 1.858 -0.783 645 1HG1 VAL 85 1HG1 VAL 85 10.072 -0.208 -0.471 646 2HG1 VAL 85 2HG1 VAL 85 8.592 -0.464 -1.394 647 3HG1 VAL 85 3HG1 VAL 85 8.669 -0.950 0.299 648 1HG2 VAL 85 1HG2 VAL 85 6.531 0.795 -0.772 649 2HG2 VAL 85 2HG2 VAL 85 6.638 2.163 0.335 650 3HG2 VAL 85 3HG2 VAL 85 6.699 0.516 0.961 651 H ARG 86 H ARG 86 10.555 3.683 0.998 652 HA ARG 86 HA ARG 86 12.856 2.844 -0.210 653 1HB ARG 86 1HB ARG 86 12.022 5.213 0.666 654 2HB ARG 86 2HB ARG 86 13.120 4.847 1.986 655 1HG ARG 86 1HG ARG 86 13.990 4.711 -0.880 656 2HG ARG 86 2HG ARG 86 14.024 6.214 0.043 657 1HD ARG 86 1HD ARG 86 15.449 3.655 0.762 658 2HD ARG 86 2HD ARG 86 16.194 5.099 0.081 659 HE ARG 86 HE ARG 86 14.771 5.438 2.592 660 1HH1 ARG 86 1HH1 ARG 86 17.818 4.975 0.969 661 2HH1 ARG 86 2HH1 ARG 86 18.763 5.552 2.302 662 1HH2 ARG 86 1HH2 ARG 86 16.007 6.201 4.352 663 2HH2 ARG 86 2HH2 ARG 86 17.733 6.248 4.223 664 H ALA 87 H ALA 87 11.983 2.632 3.178 665 HA ALA 87 HA ALA 87 14.564 1.551 3.945 666 1HB ALA 87 1HB ALA 87 12.035 1.896 5.555 667 2HB ALA 87 2HB ALA 87 13.377 3.038 5.480 668 3HB ALA 87 3HB ALA 87 13.614 1.443 6.194 669 H ALA 88 H ALA 88 11.392 0.442 3.095 670 HA ALA 88 HA ALA 88 11.488 -2.141 4.215 671 1HB ALA 88 1HB ALA 88 9.977 -1.313 1.748 672 2HB ALA 88 2HB ALA 88 9.438 -0.988 3.395 673 3HB ALA 88 3HB ALA 88 9.607 -2.651 2.835 674 H MET 89 H MET 89 12.257 -1.014 0.906 675 HA MET 89 HA MET 89 12.912 -3.523 -0.139 676 1HB MET 89 1HB MET 89 14.089 -2.314 -1.898 677 2HB MET 89 2HB MET 89 12.554 -1.541 -1.546 678 1HG MET 89 1HG MET 89 14.069 -0.086 0.056 679 2HG MET 89 2HG MET 89 15.316 -0.599 -1.079 680 1HE MET 89 1HE MET 89 14.544 2.599 -0.721 681 2HE MET 89 2HE MET 89 14.823 2.936 -2.429 682 3HE MET 89 3HE MET 89 15.853 1.788 -1.576 683 H GLU 90 H GLU 90 14.891 -1.120 1.545 684 HA GLU 90 HA GLU 90 17.354 -2.452 1.254 685 1HB GLU 90 1HB GLU 90 16.388 -0.570 3.416 686 2HB GLU 90 2HB GLU 90 18.055 -1.107 3.246 687 1HG GLU 90 1HG GLU 90 18.185 -0.064 1.054 688 2HG GLU 90 2HG GLU 90 16.502 0.445 1.185 689 H LYS 91 H LYS 91 14.660 -2.860 3.422 690 HA LYS 91 HA LYS 91 15.996 -4.529 5.314 691 1HB LYS 91 1HB LYS 91 13.718 -3.231 5.487 692 2HB LYS 91 2HB LYS 91 13.047 -4.703 4.802 693 1HG LYS 91 1HG LYS 91 14.766 -4.722 7.264 694 2HG LYS 91 2HG LYS 91 13.020 -4.480 7.328 695 1HD LYS 91 1HD LYS 91 12.662 -6.631 6.249 696 2HD LYS 91 2HD LYS 91 14.403 -6.867 6.105 697 1HE LYS 91 1HE LYS 91 14.588 -6.802 8.562 698 2HE LYS 91 2HE LYS 91 12.835 -6.645 8.671 699 1HZ LYS 91 1HZ LYS 91 13.507 -8.927 8.999 700 2HZ LYS 91 2HZ LYS 91 14.313 -8.947 7.512 701 3HZ LYS 91 3HZ LYS 91 12.629 -8.796 7.558 702 H LEU 92 H LEU 92 14.053 -5.169 2.415 703 HA LEU 92 HA LEU 92 14.202 -8.005 2.752 704 1HB LEU 92 1HB LEU 92 12.417 -7.725 1.431 705 2HB LEU 92 2HB LEU 92 12.932 -6.124 0.938 706 HG LEU 92 HG LEU 92 14.521 -7.326 -0.676 707 1HD1 LEU 92 1HD1 LEU 92 12.581 -9.588 -0.222 708 2HD1 LEU 92 2HD1 LEU 92 14.224 -9.559 0.413 709 3HD1 LEU 92 3HD1 LEU 92 13.954 -9.556 -1.329 710 1HD2 LEU 92 1HD2 LEU 92 12.522 -6.088 -1.350 711 2HD2 LEU 92 2HD2 LEU 92 11.543 -7.530 -1.083 712 3HD2 LEU 92 3HD2 LEU 92 12.766 -7.518 -2.349 713 H ALA 93 H ALA 93 16.169 -5.540 1.351 714 HA ALA 93 HA ALA 93 17.663 -7.005 -0.489 715 1HB ALA 93 1HB ALA 93 19.384 -5.307 -0.228 716 2HB ALA 93 2HB ALA 93 18.636 -4.753 1.270 717 3HB ALA 93 3HB ALA 93 17.787 -4.559 -0.264 718 H GLU 94 H GLU 94 17.723 -6.962 2.982 719 HA GLU 94 HA GLU 94 20.245 -8.355 3.190 720 1HB GLU 94 1HB GLU 94 18.110 -7.697 5.227 721 2HB GLU 94 2HB GLU 94 19.599 -8.549 5.618 722 1HG GLU 94 1HG GLU 94 20.878 -6.598 4.795 723 2HG GLU 94 2HG GLU 94 19.353 -5.746 4.552 724 H THR 95 H THR 95 16.885 -9.096 2.937 725 HA THR 95 HA THR 95 17.435 -11.961 3.379 726 HB THR 95 HB THR 95 14.988 -12.236 3.626 727 HG1 THR 95 HG1 THR 95 13.693 -10.647 3.110 728 1HG2 THR 95 1HG2 THR 95 14.763 -11.213 5.809 729 2HG2 THR 95 2HG2 THR 95 16.067 -10.081 5.448 730 3HG2 THR 95 3HG2 THR 95 16.414 -11.801 5.609 731 H GLY 96 H GLY 96 17.890 -10.169 1.013 732 1HA GLY 96 1HA GLY 96 16.071 -10.569 -1.034 733 2HA GLY 96 2HA GLY 96 17.793 -10.319 -1.259 734 H THR 97 H THR 97 15.280 -12.357 -1.807 735 HA THR 97 HA THR 97 17.113 -14.529 -2.522 736 HB THR 97 HB THR 97 14.494 -14.963 -1.069 737 HG1 THR 97 HG1 THR 97 15.703 -14.961 0.660 738 1HG2 THR 97 1HG2 THR 97 14.939 -16.695 -2.745 739 2HG2 THR 97 2HG2 THR 97 15.104 -17.334 -1.110 740 3HG2 THR 97 3HG2 THR 97 16.542 -16.952 -2.056 741 H GLY 98 H GLY 98 16.771 -15.268 -4.529 742 1HA GLY 98 1HA GLY 98 15.827 -15.536 -6.604 743 2HA GLY 98 2HA GLY 98 14.286 -15.619 -5.765 744 H PHE 99 H PHE 99 13.066 -14.445 -7.153 745 HA PHE 99 HA PHE 99 13.848 -12.056 -8.418 746 1HB PHE 99 1HB PHE 99 12.042 -13.248 -9.377 747 2HB PHE 99 2HB PHE 99 11.169 -13.312 -7.852 748 HD1 PHE 99 HD1 PHE 99 9.555 -11.726 -7.350 749 HD2 PHE 99 HD2 PHE 99 12.333 -10.959 -10.480 750 HE1 PHE 99 HE1 PHE 99 8.273 -9.727 -7.990 751 HE2 PHE 99 HE2 PHE 99 11.056 -8.956 -11.126 752 HZ PHE 99 HZ PHE 99 9.022 -8.338 -9.879 753 H ALA 100 H ALA 100 12.634 -12.708 -5.245 754 HA ALA 100 HA ALA 100 11.474 -10.284 -4.549 755 1HB ALA 100 1HB ALA 100 13.108 -12.083 -2.766 756 2HB ALA 100 2HB ALA 100 11.399 -12.296 -3.150 757 3HB ALA 100 3HB ALA 100 11.930 -10.879 -2.243 758 H ARG 101 H ARG 101 14.897 -11.226 -4.408 759 HA ARG 101 HA ARG 101 15.827 -8.863 -3.186 760 1HB ARG 101 1HB ARG 101 17.126 -10.959 -3.338 761 2HB ARG 101 2HB ARG 101 17.286 -10.702 -5.069 762 1HG ARG 101 1HG ARG 101 18.767 -8.954 -4.815 763 2HG ARG 101 2HG ARG 101 18.221 -8.597 -3.175 764 1HD ARG 101 1HD ARG 101 20.451 -9.609 -3.189 765 2HD ARG 101 2HD ARG 101 19.274 -10.627 -2.360 766 HE ARG 101 HE ARG 101 19.710 -11.251 -5.153 767 1HH1 ARG 101 1HH1 ARG 101 20.571 -11.910 -1.841 768 2HH1 ARG 101 2HH1 ARG 101 21.220 -13.478 -2.186 769 1HH2 ARG 101 1HH2 ARG 101 20.560 -13.316 -5.616 770 2HH2 ARG 101 2HH2 ARG 101 21.215 -14.278 -4.332 771 H LYS 102 H LYS 102 15.868 -9.837 -6.614 772 HA LYS 102 HA LYS 102 16.973 -7.582 -7.738 773 1HB LYS 102 1HB LYS 102 16.362 -9.704 -8.923 774 2HB LYS 102 2HB LYS 102 14.687 -9.169 -8.919 775 1HG LYS 102 1HG LYS 102 15.467 -8.610 -11.038 776 2HG LYS 102 2HG LYS 102 15.534 -7.090 -10.140 777 1HD LYS 102 1HD LYS 102 17.823 -7.070 -10.077 778 2HD LYS 102 2HD LYS 102 17.948 -8.828 -10.138 779 1HE LYS 102 1HE LYS 102 18.758 -7.868 -12.208 780 2HE LYS 102 2HE LYS 102 17.276 -8.776 -12.502 781 1HZ LYS 102 1HZ LYS 102 17.251 -6.678 -13.676 782 2HZ LYS 102 2HZ LYS 102 17.485 -5.826 -12.234 783 3HZ LYS 102 3HZ LYS 102 16.049 -6.684 -12.484 784 H VAL 103 H VAL 103 13.908 -7.947 -6.257 785 HA VAL 103 HA VAL 103 12.569 -5.772 -7.518 786 HB VAL 103 HB VAL 103 12.055 -7.470 -5.109 787 1HG1 VAL 103 1HG1 VAL 103 11.359 -5.285 -4.356 788 2HG1 VAL 103 2HG1 VAL 103 9.926 -6.234 -4.751 789 3HG1 VAL 103 3HG1 VAL 103 10.498 -4.995 -5.868 790 1HG2 VAL 103 1HG2 VAL 103 10.054 -8.082 -6.349 791 2HG2 VAL 103 2HG2 VAL 103 11.496 -8.312 -7.337 792 3HG2 VAL 103 3HG2 VAL 103 10.458 -6.911 -7.605 793 H ALA 104 H ALA 104 13.895 -6.135 -4.217 794 HA ALA 104 HA ALA 104 13.473 -3.521 -3.367 795 1HB ALA 104 1HB ALA 104 15.462 -5.609 -2.546 796 2HB ALA 104 2HB ALA 104 13.978 -5.114 -1.732 797 3HB ALA 104 3HB ALA 104 15.371 -4.036 -1.757 798 H VAL 105 H VAL 105 16.450 -4.927 -4.698 799 HA VAL 105 HA VAL 105 18.020 -2.612 -4.556 800 HB VAL 105 HB VAL 105 18.298 -4.890 -6.517 801 1HG1 VAL 105 1HG1 VAL 105 19.614 -2.950 -7.162 802 2HG1 VAL 105 2HG1 VAL 105 20.667 -4.238 -6.576 803 3HG1 VAL 105 3HG1 VAL 105 20.303 -2.856 -5.541 804 1HG2 VAL 105 1HG2 VAL 105 18.230 -5.675 -4.205 805 2HG2 VAL 105 2HG2 VAL 105 19.498 -4.528 -3.772 806 3HG2 VAL 105 3HG2 VAL 105 19.848 -5.849 -4.887 807 H ASN 106 H ASN 106 16.099 -3.893 -7.263 808 HA ASN 106 HA ASN 106 16.881 -1.833 -9.064 809 1HB ASN 106 1HB ASN 106 14.646 -3.851 -9.096 810 2HB ASN 106 2HB ASN 106 14.840 -2.654 -10.371 811 1HD2 ASN 106 1HD2 ASN 106 17.492 -4.171 -8.659 812 2HD2 ASN 106 2HD2 ASN 106 18.091 -5.072 -10.005 813 H TYR 107 H TYR 107 14.146 -2.222 -6.847 814 HA TYR 107 HA TYR 107 12.584 -0.132 -7.894 815 1HB TYR 107 1HB TYR 107 11.572 -1.806 -6.537 816 2HB TYR 107 2HB TYR 107 12.695 -1.503 -5.220 817 HD1 TYR 107 HD1 TYR 107 11.899 -0.418 -3.476 818 HD2 TYR 107 HD2 TYR 107 10.263 0.477 -7.267 819 HE1 TYR 107 HE1 TYR 107 10.349 1.181 -2.408 820 HE2 TYR 107 HE2 TYR 107 8.712 2.079 -6.244 821 HH TYR 107 HH TYR 107 9.046 3.323 -3.260 822 H LEU 108 H LEU 108 15.339 -0.249 -5.860 823 HA LEU 108 HA LEU 108 15.243 2.028 -4.348 824 1HB LEU 108 1HB LEU 108 17.179 0.185 -5.133 825 2HB LEU 108 2HB LEU 108 17.834 1.737 -5.612 826 HG LEU 108 HG LEU 108 16.910 1.034 -2.830 827 1HD1 LEU 108 1HD1 LEU 108 19.243 0.939 -2.239 828 2HD1 LEU 108 2HD1 LEU 108 19.713 1.351 -3.888 829 3HD1 LEU 108 3HD1 LEU 108 18.931 -0.194 -3.555 830 1HD2 LEU 108 1HD2 LEU 108 18.038 3.134 -2.208 831 2HD2 LEU 108 2HD2 LEU 108 16.679 3.403 -3.299 832 3HD2 LEU 108 3HD2 LEU 108 18.331 3.465 -3.915 833 H GLU 109 H GLU 109 15.732 1.785 -7.804 834 HA GLU 109 HA GLU 109 16.792 4.359 -8.251 835 1HB GLU 109 1HB GLU 109 16.364 3.977 -10.562 836 2HB GLU 109 2HB GLU 109 16.833 2.437 -9.861 837 1HG GLU 109 1HG GLU 109 14.444 1.821 -9.719 838 2HG GLU 109 2HG GLU 109 14.042 3.331 -10.534 839 H THR 110 H THR 110 13.741 3.493 -7.183 840 HA THR 110 HA THR 110 12.664 6.102 -8.013 841 HB THR 110 HB THR 110 10.399 5.087 -8.137 842 HG1 THR 110 HG1 THR 110 11.269 3.132 -6.880 843 1HG2 THR 110 1HG2 THR 110 10.691 4.030 -10.312 844 2HG2 THR 110 2HG2 THR 110 12.414 3.823 -9.998 845 3HG2 THR 110 3HG2 THR 110 11.738 5.443 -10.172 846 H HIS 111 H HIS 111 13.921 4.871 -5.507 847 HA HIS 111 HA HIS 111 13.724 5.114 -3.255 848 1HB HIS 111 1HB HIS 111 11.332 6.881 -3.778 849 2HB HIS 111 2HB HIS 111 12.414 6.909 -2.390 850 HD1 HIS 111 HD1 HIS 111 11.923 8.352 -5.716 851 HD2 HIS 111 HD2 HIS 111 15.048 7.959 -3.005 852 HE1 HIS 111 HE1 HIS 111 13.671 9.999 -6.463 853 HE2 HIS 111 HE2 HIS 111 15.520 9.797 -4.763 Start of MODEL 17 1 H MET 1 H MET 1 -10.202 14.659 13.058 2 HA MET 1 HA MET 1 -10.378 12.398 13.818 3 1HB MET 1 1HB MET 1 -10.909 13.667 16.514 4 2HB MET 1 2HB MET 1 -11.067 11.954 16.149 5 1HG MET 1 1HG MET 1 -8.520 13.552 16.009 6 2HG MET 1 2HG MET 1 -8.982 12.456 17.310 7 1HE MET 1 1HE MET 1 -10.342 10.083 15.783 8 2HE MET 1 2HE MET 1 -9.139 9.809 17.042 9 3HE MET 1 3HE MET 1 -8.990 8.993 15.486 10 H ALA 2 H ALA 2 -12.040 15.216 13.577 11 HA ALA 2 HA ALA 2 -14.684 14.050 14.010 12 1HB ALA 2 1HB ALA 2 -15.533 16.314 13.654 13 2HB ALA 2 2HB ALA 2 -13.903 16.869 13.273 14 3HB ALA 2 3HB ALA 2 -14.280 16.287 14.896 15 H ASP 3 H ASP 3 -12.912 15.751 11.424 16 HA ASP 3 HA ASP 3 -14.305 14.102 9.456 17 1HB ASP 3 1HB ASP 3 -14.215 17.123 9.308 18 2HB ASP 3 2HB ASP 3 -14.849 16.055 8.061 19 H GLU 4 H GLU 4 -12.606 13.094 8.575 20 HA GLU 4 HA GLU 4 -10.665 14.664 7.119 21 1HB GLU 4 1HB GLU 4 -9.683 14.448 9.403 22 2HB GLU 4 2HB GLU 4 -9.717 12.701 9.213 23 1HG GLU 4 1HG GLU 4 -7.505 13.555 8.772 24 2HG GLU 4 2HG GLU 4 -8.205 12.883 7.299 25 H ASN 5 H ASN 5 -11.105 11.332 8.326 26 HA ASN 5 HA ASN 5 -10.240 10.152 5.882 27 1HB ASN 5 1HB ASN 5 -9.892 8.735 7.670 28 2HB ASN 5 2HB ASN 5 -11.412 9.165 8.446 29 1HD2 ASN 5 1HD2 ASN 5 -11.041 8.165 5.096 30 2HD2 ASN 5 2HD2 ASN 5 -11.902 6.675 5.255 31 H LYS 6 H LYS 6 -11.379 10.471 4.078 32 HA LYS 6 HA LYS 6 -13.975 9.352 3.794 33 1HB LYS 6 1HB LYS 6 -14.444 11.566 4.937 34 2HB LYS 6 2HB LYS 6 -13.850 12.352 3.483 35 1HG LYS 6 1HG LYS 6 -15.610 11.203 2.185 36 2HG LYS 6 2HG LYS 6 -16.235 10.525 3.691 37 1HD LYS 6 1HD LYS 6 -16.603 12.797 4.546 38 2HD LYS 6 2HD LYS 6 -16.004 13.460 3.025 39 1HE LYS 6 1HE LYS 6 -17.828 12.308 1.836 40 2HE LYS 6 2HE LYS 6 -18.440 11.717 3.381 41 1HZ LYS 6 1HZ LYS 6 -18.824 13.983 4.077 42 2HZ LYS 6 2HZ LYS 6 -19.618 13.698 2.611 43 3HZ LYS 6 3HZ LYS 6 -18.174 14.579 2.633 44 H TRP 7 H TRP 7 -11.072 10.319 2.632 45 HA TRP 7 HA TRP 7 -11.981 10.044 -0.152 46 1HB TRP 7 1HB TRP 7 -9.868 11.965 0.844 47 2HB TRP 7 2HB TRP 7 -10.250 11.667 -0.849 48 HD1 TRP 7 HD1 TRP 7 -11.589 13.427 2.263 49 HE1 TRP 7 HE1 TRP 7 -13.480 15.024 1.562 50 HE3 TRP 7 HE3 TRP 7 -12.070 12.020 -2.630 51 HZ2 TRP 7 HZ2 TRP 7 -14.973 15.613 -0.755 52 HZ3 TRP 7 HZ3 TRP 7 -13.754 13.154 -4.021 53 HH2 TRP 7 HH2 TRP 7 -15.175 14.913 -3.100 54 H VAL 8 H VAL 8 -10.472 8.480 2.135 55 HA VAL 8 HA VAL 8 -8.042 7.752 0.706 56 HB VAL 8 HB VAL 8 -7.598 6.286 2.657 57 1HG1 VAL 8 1HG1 VAL 8 -8.262 9.149 3.329 58 2HG1 VAL 8 2HG1 VAL 8 -6.758 8.568 2.614 59 3HG1 VAL 8 3HG1 VAL 8 -7.194 8.096 4.256 60 1HG2 VAL 8 1HG2 VAL 8 -10.126 7.489 3.781 61 2HG2 VAL 8 2HG2 VAL 8 -9.010 6.420 4.628 62 3HG2 VAL 8 3HG2 VAL 8 -9.935 5.817 3.254 63 H ARG 9 H ARG 9 -10.275 7.119 -0.768 64 HA ARG 9 HA ARG 9 -9.956 4.278 -1.076 65 1HB ARG 9 1HB ARG 9 -12.385 3.773 -0.898 66 2HB ARG 9 2HB ARG 9 -11.661 4.238 0.637 67 1HG ARG 9 1HG ARG 9 -12.592 6.457 0.452 68 2HG ARG 9 2HG ARG 9 -13.230 6.086 -1.150 69 1HD ARG 9 1HD ARG 9 -14.660 4.352 -0.165 70 2HD ARG 9 2HD ARG 9 -14.031 4.749 1.433 71 HE ARG 9 HE ARG 9 -15.145 7.020 0.106 72 1HH1 ARG 9 1HH1 ARG 9 -15.929 4.188 1.978 73 2HH1 ARG 9 2HH1 ARG 9 -17.408 4.847 2.593 74 1HH2 ARG 9 1HH2 ARG 9 -17.088 7.896 0.909 75 2HH2 ARG 9 2HH2 ARG 9 -18.065 6.958 1.989 76 H ARG 10 H ARG 10 -10.719 7.332 -2.221 77 HA ARG 10 HA ARG 10 -12.319 6.857 -4.430 78 1HB ARG 10 1HB ARG 10 -11.674 9.108 -3.741 79 2HB ARG 10 2HB ARG 10 -10.001 8.783 -4.178 80 1HG ARG 10 1HG ARG 10 -10.589 8.613 -6.503 81 2HG ARG 10 2HG ARG 10 -12.303 8.771 -6.116 82 1HD ARG 10 1HD ARG 10 -11.880 11.020 -5.227 83 2HD ARG 10 2HD ARG 10 -10.176 10.859 -5.654 84 HE ARG 10 HE ARG 10 -12.111 10.558 -7.808 85 1HH1 ARG 10 1HH1 ARG 10 -9.814 12.587 -6.150 86 2HH1 ARG 10 2HH1 ARG 10 -9.662 13.707 -7.462 87 1HH2 ARG 10 1HH2 ARG 10 -11.926 12.031 -9.534 88 2HH2 ARG 10 2HH2 ARG 10 -10.865 13.392 -9.385 89 H ASP 11 H ASP 11 -12.018 5.175 -5.747 90 HA ASP 11 HA ASP 11 -11.133 3.947 -7.452 91 1HB ASP 11 1HB ASP 11 -10.239 6.213 -8.180 92 2HB ASP 11 2HB ASP 11 -8.731 5.765 -7.390 93 H VAL 12 H VAL 12 -10.782 3.074 -4.837 94 HA VAL 12 HA VAL 12 -8.293 1.559 -5.127 95 HB VAL 12 HB VAL 12 -9.102 2.816 -2.501 96 1HG1 VAL 12 1HG1 VAL 12 -6.619 1.295 -3.288 97 2HG1 VAL 12 2HG1 VAL 12 -7.937 0.672 -2.297 98 3HG1 VAL 12 3HG1 VAL 12 -6.947 2.006 -1.707 99 1HG2 VAL 12 1HG2 VAL 12 -7.043 4.190 -2.789 100 2HG2 VAL 12 2HG2 VAL 12 -8.325 4.572 -3.938 101 3HG2 VAL 12 3HG2 VAL 12 -6.941 3.606 -4.450 102 H SER 13 H SER 13 -8.989 -0.463 -5.303 103 HA SER 13 HA SER 13 -9.951 -2.464 -4.837 104 1HB SER 13 1HB SER 13 -10.281 -3.077 -2.612 105 2HB SER 13 2HB SER 13 -9.135 -1.744 -2.476 106 HG SER 13 HG SER 13 -11.936 -1.666 -2.057 107 H THR 14 H THR 14 -12.158 -3.351 -3.649 108 HA THR 14 HA THR 14 -14.341 -1.747 -4.817 109 HB THR 14 HB THR 14 -15.520 -3.964 -5.151 110 HG1 THR 14 HG1 THR 14 -14.520 -5.688 -4.465 111 1HG2 THR 14 1HG2 THR 14 -14.359 -4.462 -7.235 112 2HG2 THR 14 2HG2 THR 14 -12.952 -3.551 -6.687 113 3HG2 THR 14 3HG2 THR 14 -14.475 -2.717 -6.999 114 H ALA 15 H ALA 15 -14.317 -4.672 -2.782 115 HA ALA 15 HA ALA 15 -16.512 -3.925 -1.219 116 1HB ALA 15 1HB ALA 15 -15.586 -5.620 0.433 117 2HB ALA 15 2HB ALA 15 -14.255 -5.847 -0.703 118 3HB ALA 15 3HB ALA 15 -15.910 -6.208 -1.200 119 H LEU 16 H LEU 16 -13.072 -3.420 -0.783 120 HA LEU 16 HA LEU 16 -13.386 -2.249 1.819 121 1HB LEU 16 1HB LEU 16 -10.860 -1.653 0.521 122 2HB LEU 16 2HB LEU 16 -11.175 -2.517 2.006 123 HG LEU 16 HG LEU 16 -11.459 -3.816 -0.695 124 1HD1 LEU 16 1HD1 LEU 16 -9.027 -3.640 1.071 125 2HD1 LEU 16 2HD1 LEU 16 -9.193 -3.048 -0.580 126 3HD1 LEU 16 3HD1 LEU 16 -9.214 -4.781 -0.258 127 1HD2 LEU 16 1HD2 LEU 16 -11.112 -5.864 0.662 128 2HD2 LEU 16 2HD2 LEU 16 -12.576 -4.980 1.090 129 3HD2 LEU 16 3HD2 LEU 16 -11.146 -4.865 2.114 130 H SER 17 H SER 17 -13.763 -1.205 -1.345 131 HA SER 17 HA SER 17 -13.080 1.574 -0.861 132 1HB SER 17 1HB SER 17 -12.742 0.414 -3.085 133 2HB SER 17 2HB SER 17 -14.494 0.402 -3.262 134 HG SER 17 HG SER 17 -12.873 2.329 -3.922 135 H ARG 18 H ARG 18 -15.661 -0.369 -0.123 136 HA ARG 18 HA ARG 18 -17.659 1.749 -0.488 137 1HB ARG 18 1HB ARG 18 -18.017 -0.652 -1.296 138 2HB ARG 18 2HB ARG 18 -18.190 -1.078 0.401 139 1HG ARG 18 1HG ARG 18 -20.128 0.267 0.631 140 2HG ARG 18 2HG ARG 18 -19.874 1.011 -0.950 141 1HD ARG 18 1HD ARG 18 -21.646 -0.705 -0.984 142 2HD ARG 18 2HD ARG 18 -20.299 -1.097 -2.053 143 HE ARG 18 HE ARG 18 -20.600 -2.300 0.622 144 1HH1 ARG 18 1HH1 ARG 18 -19.975 -2.561 -2.799 145 2HH1 ARG 18 2HH1 ARG 18 -19.605 -4.252 -2.732 146 1HH2 ARG 18 1HH2 ARG 18 -20.110 -4.522 0.717 147 2HH2 ARG 18 2HH2 ARG 18 -19.678 -5.365 -0.733 148 H MET 19 H MET 19 -15.502 0.947 1.786 149 HA MET 19 HA MET 19 -17.317 1.713 3.977 150 1HB MET 19 1HB MET 19 -14.893 -0.030 4.362 151 2HB MET 19 2HB MET 19 -16.196 0.279 5.497 152 1HG MET 19 1HG MET 19 -16.395 -1.295 2.940 153 2HG MET 19 2HG MET 19 -16.366 -1.949 4.576 154 1HE MET 19 1HE MET 19 -20.050 -2.583 3.331 155 2HE MET 19 2HE MET 19 -18.650 -3.333 4.098 156 3HE MET 19 3HE MET 19 -18.527 -2.714 2.452 157 H GLY 20 H GLY 20 -14.007 1.783 2.725 158 1HA GLY 20 1HA GLY 20 -12.860 3.924 2.664 159 2HA GLY 20 2HA GLY 20 -13.612 4.308 4.204 160 H ASP 21 H ASP 21 -11.740 4.701 5.332 161 HA ASP 21 HA ASP 21 -9.443 3.077 5.249 162 1HB ASP 21 1HB ASP 21 -9.416 5.392 6.078 163 2HB ASP 21 2HB ASP 21 -10.389 4.907 7.465 164 H GLU 22 H GLU 22 -12.432 2.820 6.990 165 HA GLU 22 HA GLU 22 -11.584 1.039 9.023 166 1HB GLU 22 1HB GLU 22 -13.980 0.508 9.264 167 2HB GLU 22 2HB GLU 22 -13.699 2.241 9.190 168 1HG GLU 22 1HG GLU 22 -14.325 2.194 6.796 169 2HG GLU 22 2HG GLU 22 -14.716 0.483 6.969 170 H ALA 23 H ALA 23 -12.078 0.691 5.684 171 HA ALA 23 HA ALA 23 -12.595 -2.158 5.695 172 1HB ALA 23 1HB ALA 23 -11.739 -0.714 3.249 173 2HB ALA 23 2HB ALA 23 -13.295 -0.302 3.967 174 3HB ALA 23 3HB ALA 23 -12.969 -1.960 3.463 175 H PHE 24 H PHE 24 -9.882 -0.162 5.958 176 HA PHE 24 HA PHE 24 -7.936 -1.531 4.506 177 1HB PHE 24 1HB PHE 24 -7.884 0.720 5.902 178 2HB PHE 24 2HB PHE 24 -7.220 -0.338 7.144 179 HD1 PHE 24 HD1 PHE 24 -6.074 2.023 5.277 180 HD2 PHE 24 HD2 PHE 24 -5.634 -2.197 5.465 181 HE1 PHE 24 HE1 PHE 24 -3.862 2.207 4.237 182 HE2 PHE 24 HE2 PHE 24 -3.424 -2.022 4.429 183 HZ PHE 24 HZ PHE 24 -2.527 0.185 3.809 184 H GLU 25 H GLU 25 -8.843 -1.929 7.933 185 HA GLU 25 HA GLU 25 -7.029 -3.961 8.509 186 1HB GLU 25 1HB GLU 25 -9.442 -4.478 9.933 187 2HB GLU 25 2HB GLU 25 -7.926 -3.830 10.538 188 1HG GLU 25 1HG GLU 25 -8.636 -1.576 9.918 189 2HG GLU 25 2HG GLU 25 -10.161 -2.224 9.317 190 HA PRO 26 HA PRO 26 -10.635 -7.204 7.471 191 1HB PRO 26 1HB PRO 26 -12.049 -6.079 5.267 192 2HB PRO 26 2HB PRO 26 -12.697 -6.516 6.850 193 1HG PRO 26 1HG PRO 26 -11.942 -3.885 5.788 194 2HG PRO 26 2HG PRO 26 -13.038 -4.290 7.117 195 1HD PRO 26 1HD PRO 26 -10.580 -3.176 7.479 196 2HD PRO 26 2HD PRO 26 -11.364 -4.224 8.677 197 H LEU 27 H LEU 27 -9.097 -4.927 5.358 198 HA LEU 27 HA LEU 27 -8.726 -6.677 3.142 199 1HB LEU 27 1HB LEU 27 -8.554 -4.550 2.402 200 2HB LEU 27 2HB LEU 27 -8.022 -3.952 3.964 201 HG LEU 27 HG LEU 27 -5.746 -4.846 3.446 202 1HD1 LEU 27 1HD1 LEU 27 -6.857 -5.162 0.660 203 2HD1 LEU 27 2HD1 LEU 27 -6.449 -6.491 1.743 204 3HD1 LEU 27 3HD1 LEU 27 -5.185 -5.407 1.161 205 1HD2 LEU 27 1HD2 LEU 27 -5.161 -3.015 1.945 206 2HD2 LEU 27 2HD2 LEU 27 -6.307 -2.490 3.176 207 3HD2 LEU 27 3HD2 LEU 27 -6.862 -2.804 1.532 208 H LEU 28 H LEU 28 -6.823 -5.591 5.897 209 HA LEU 28 HA LEU 28 -4.500 -7.149 5.255 210 1HB LEU 28 1HB LEU 28 -3.966 -5.279 6.506 211 2HB LEU 28 2HB LEU 28 -5.400 -5.404 7.503 212 HG LEU 28 HG LEU 28 -4.322 -7.398 8.621 213 1HD1 LEU 28 1HD1 LEU 28 -1.912 -6.386 7.120 214 2HD1 LEU 28 2HD1 LEU 28 -2.685 -7.959 6.932 215 3HD1 LEU 28 3HD1 LEU 28 -1.870 -7.553 8.441 216 1HD2 LEU 28 1HD2 LEU 28 -2.991 -4.702 8.821 217 2HD2 LEU 28 2HD2 LEU 28 -2.833 -5.996 10.008 218 3HD2 LEU 28 3HD2 LEU 28 -4.407 -5.254 9.715 219 H GLU 29 H GLU 29 -7.510 -7.704 6.714 220 HA GLU 29 HA GLU 29 -6.814 -9.793 8.505 221 1HB GLU 29 1HB GLU 29 -8.892 -8.523 8.730 222 2HB GLU 29 2HB GLU 29 -9.451 -9.138 7.181 223 1HG GLU 29 1HG GLU 29 -9.453 -11.411 8.100 224 2HG GLU 29 2HG GLU 29 -8.935 -10.768 9.658 225 H SER 30 H SER 30 -7.624 -9.612 5.114 226 HA SER 30 HA SER 30 -8.149 -12.349 4.658 227 1HB SER 30 1HB SER 30 -8.770 -10.494 3.107 228 2HB SER 30 2HB SER 30 -7.065 -10.321 2.693 229 HG SER 30 HG SER 30 -7.771 -12.888 2.458 230 H LEU 31 H LEU 31 -5.214 -10.526 4.964 231 HA LEU 31 HA LEU 31 -3.465 -12.320 3.650 232 1HB LEU 31 1HB LEU 31 -2.928 -10.341 5.865 233 2HB LEU 31 2HB LEU 31 -1.686 -11.170 4.947 234 HG LEU 31 HG LEU 31 -3.732 -9.357 3.675 235 1HD1 LEU 31 1HD1 LEU 31 -1.845 -7.718 3.563 236 2HD1 LEU 31 2HD1 LEU 31 -0.983 -8.729 4.723 237 3HD1 LEU 31 3HD1 LEU 31 -2.512 -7.977 5.173 238 1HD2 LEU 31 1HD2 LEU 31 -2.059 -9.303 1.850 239 2HD2 LEU 31 2HD2 LEU 31 -2.732 -10.908 2.130 240 3HD2 LEU 31 3HD2 LEU 31 -1.117 -10.515 2.719 241 H SER 32 H SER 32 -5.241 -12.666 6.465 242 HA SER 32 HA SER 32 -3.322 -14.432 7.773 243 1HB SER 32 1HB SER 32 -4.552 -12.845 9.181 244 2HB SER 32 2HB SER 32 -6.082 -13.535 8.643 245 HG SER 32 HG SER 32 -5.023 -14.280 10.731 246 H ASN 33 H ASN 33 -4.934 -14.949 5.192 247 HA ASN 33 HA ASN 33 -6.330 -17.390 6.019 248 1HB ASN 33 1HB ASN 33 -6.478 -15.617 3.619 249 2HB ASN 33 2HB ASN 33 -6.920 -17.312 3.441 250 1HD2 ASN 33 1HD2 ASN 33 -7.393 -15.580 6.420 251 2HD2 ASN 33 2HD2 ASN 33 -9.116 -15.519 6.337 252 H GLU 34 H GLU 34 -5.719 -19.393 5.377 253 HA GLU 34 HA GLU 34 -3.017 -19.830 4.680 254 1HB GLU 34 1HB GLU 34 -5.362 -21.740 4.589 255 2HB GLU 34 2HB GLU 34 -3.670 -22.207 4.494 256 1HG GLU 34 1HG GLU 34 -4.333 -22.610 6.706 257 2HG GLU 34 2HG GLU 34 -3.370 -21.135 6.750 258 H ASP 35 H ASP 35 -5.779 -19.142 2.839 259 HA ASP 35 HA ASP 35 -4.941 -20.440 0.409 260 1HB ASP 35 1HB ASP 35 -7.036 -18.300 0.848 261 2HB ASP 35 2HB ASP 35 -6.830 -19.252 -0.618 262 H TRP 36 H TRP 36 -3.584 -19.679 -1.085 263 HA TRP 36 HA TRP 36 -2.351 -17.098 -0.695 264 1HB TRP 36 1HB TRP 36 -0.910 -17.779 -2.601 265 2HB TRP 36 2HB TRP 36 -0.927 -18.955 -1.292 266 HD1 TRP 36 HD1 TRP 36 -2.077 -21.319 -1.773 267 HE1 TRP 36 HE1 TRP 36 -2.688 -22.520 -3.967 268 HE3 TRP 36 HE3 TRP 36 -1.740 -17.364 -5.001 269 HZ2 TRP 36 HZ2 TRP 36 -2.986 -21.885 -6.691 270 HZ3 TRP 36 HZ3 TRP 36 -2.201 -17.751 -7.387 271 HH2 TRP 36 HH2 TRP 36 -2.811 -19.969 -8.210 272 H ARG 37 H ARG 37 -4.746 -18.505 -2.783 273 HA ARG 37 HA ARG 37 -4.658 -16.661 -4.898 274 1HB ARG 37 1HB ARG 37 -5.884 -18.853 -4.883 275 2HB ARG 37 2HB ARG 37 -7.100 -18.106 -3.857 276 1HG ARG 37 1HG ARG 37 -7.473 -16.420 -5.651 277 2HG ARG 37 2HG ARG 37 -6.389 -17.359 -6.678 278 1HD ARG 37 1HD ARG 37 -7.857 -19.300 -6.457 279 2HD ARG 37 2HD ARG 37 -8.936 -18.370 -5.419 280 HE ARG 37 HE ARG 37 -8.630 -16.994 -7.837 281 1HH1 ARG 37 1HH1 ARG 37 -10.018 -19.949 -6.620 282 2HH1 ARG 37 2HH1 ARG 37 -11.250 -20.024 -7.835 283 1HH2 ARG 37 1HH2 ARG 37 -10.251 -17.079 -9.441 284 2HH2 ARG 37 2HH2 ARG 37 -11.384 -18.389 -9.440 285 H ILE 38 H ILE 38 -6.621 -16.720 -1.935 286 HA ILE 38 HA ILE 38 -7.912 -14.236 -2.488 287 HB ILE 38 HB ILE 38 -7.657 -15.661 0.165 288 1HG1 ILE 38 1HG1 ILE 38 -9.892 -15.816 -1.871 289 2HG1 ILE 38 2HG1 ILE 38 -8.661 -17.054 -1.656 290 1HG2 ILE 38 1HG2 ILE 38 -8.327 -13.300 0.319 291 2HG2 ILE 38 2HG2 ILE 38 -9.621 -14.393 0.809 292 3HG2 ILE 38 3HG2 ILE 38 -9.670 -13.622 -0.777 293 1HD1 ILE 38 1HD1 ILE 38 -10.742 -17.648 -0.548 294 2HD1 ILE 38 2HD1 ILE 38 -10.653 -16.178 0.421 295 3HD1 ILE 38 3HD1 ILE 38 -9.435 -17.439 0.619 296 H ARG 39 H ARG 39 -5.222 -15.218 -0.389 297 HA ARG 39 HA ARG 39 -4.766 -12.741 0.832 298 1HB ARG 39 1HB ARG 39 -3.741 -14.774 1.672 299 2HB ARG 39 2HB ARG 39 -2.826 -14.969 0.184 300 1HG ARG 39 1HG ARG 39 -1.507 -13.026 0.666 301 2HG ARG 39 2HG ARG 39 -2.515 -12.641 2.062 302 1HD ARG 39 1HD ARG 39 -0.304 -13.741 2.569 303 2HD ARG 39 2HD ARG 39 -1.725 -14.508 3.271 304 HE ARG 39 HE ARG 39 -1.141 -15.705 0.791 305 1HH1 ARG 39 1HH1 ARG 39 0.100 -15.491 4.042 306 2HH1 ARG 39 2HH1 ARG 39 0.850 -17.051 3.996 307 1HH2 ARG 39 1HH2 ARG 39 -0.157 -17.763 0.724 308 2HH2 ARG 39 2HH2 ARG 39 0.707 -18.340 2.110 309 H GLY 40 H GLY 40 -3.961 -13.913 -2.338 310 1HA GLY 40 1HA GLY 40 -1.870 -12.188 -3.019 311 2HA GLY 40 2HA GLY 40 -3.010 -12.888 -4.156 312 H ALA 41 H ALA 41 -5.324 -11.772 -3.800 313 HA ALA 41 HA ALA 41 -5.176 -9.240 -4.891 314 1HB ALA 41 1HB ALA 41 -7.452 -10.387 -3.280 315 2HB ALA 41 2HB ALA 41 -7.165 -10.658 -4.999 316 3HB ALA 41 3HB ALA 41 -7.555 -9.041 -4.414 317 H ALA 42 H ALA 42 -5.588 -10.148 -1.481 318 HA ALA 42 HA ALA 42 -6.050 -7.622 -0.417 319 1HB ALA 42 1HB ALA 42 -5.299 -8.521 1.700 320 2HB ALA 42 2HB ALA 42 -4.495 -9.857 0.878 321 3HB ALA 42 3HB ALA 42 -6.253 -9.731 0.842 322 H ALA 43 H ALA 43 -2.928 -9.319 -0.659 323 HA ALA 43 HA ALA 43 -1.308 -7.198 0.210 324 1HB ALA 43 1HB ALA 43 -0.501 -9.468 0.120 325 2HB ALA 43 2HB ALA 43 0.523 -8.439 -0.882 326 3HB ALA 43 3HB ALA 43 -0.673 -9.497 -1.634 327 H TRP 44 H TRP 44 -2.670 -7.970 -2.915 328 HA TRP 44 HA TRP 44 -1.006 -6.299 -4.488 329 1HB TRP 44 1HB TRP 44 -3.475 -7.876 -4.892 330 2HB TRP 44 2HB TRP 44 -3.209 -6.553 -6.020 331 HD1 TRP 44 HD1 TRP 44 -0.901 -9.323 -4.563 332 HE1 TRP 44 HE1 TRP 44 0.437 -10.340 -6.512 333 HE3 TRP 44 HE3 TRP 44 -2.829 -6.554 -8.403 334 HZ2 TRP 44 HZ2 TRP 44 0.650 -10.016 -9.306 335 HZ3 TRP 44 HZ3 TRP 44 -2.008 -6.971 -10.686 336 HH2 TRP 44 HH2 TRP 44 -0.307 -8.667 -11.127 337 H ILE 45 H ILE 45 -4.048 -5.741 -2.799 338 HA ILE 45 HA ILE 45 -4.227 -3.065 -3.981 339 HB ILE 45 HB ILE 45 -6.232 -4.386 -2.161 340 1HG1 ILE 45 1HG1 ILE 45 -5.916 -5.759 -4.172 341 2HG1 ILE 45 2HG1 ILE 45 -7.489 -4.972 -4.183 342 1HG2 ILE 45 1HG2 ILE 45 -6.538 -2.030 -2.237 343 2HG2 ILE 45 2HG2 ILE 45 -7.770 -2.752 -3.272 344 3HG2 ILE 45 3HG2 ILE 45 -6.346 -1.999 -3.989 345 1HD1 ILE 45 1HD1 ILE 45 -6.684 -3.327 -5.767 346 2HD1 ILE 45 2HD1 ILE 45 -6.417 -4.956 -6.383 347 3HD1 ILE 45 3HD1 ILE 45 -5.071 -4.036 -5.714 348 H ILE 46 H ILE 46 -3.287 -4.653 -1.104 349 HA ILE 46 HA ILE 46 -3.896 -2.762 0.842 350 HB ILE 46 HB ILE 46 -2.850 -5.156 1.027 351 1HG1 ILE 46 1HG1 ILE 46 -1.939 -3.078 3.007 352 2HG1 ILE 46 2HG1 ILE 46 -3.629 -3.543 2.838 353 1HG2 ILE 46 1HG2 ILE 46 -0.371 -3.456 1.244 354 2HG2 ILE 46 2HG2 ILE 46 -0.737 -4.548 -0.091 355 3HG2 ILE 46 3HG2 ILE 46 -0.493 -5.192 1.532 356 1HD1 ILE 46 1HD1 ILE 46 -2.532 -4.721 4.669 357 2HD1 ILE 46 2HD1 ILE 46 -1.370 -5.404 3.530 358 3HD1 ILE 46 3HD1 ILE 46 -3.077 -5.832 3.412 359 H GLY 47 H GLY 47 -1.198 -2.861 -1.429 360 1HA GLY 47 1HA GLY 47 0.226 -0.712 -0.164 361 2HA GLY 47 2HA GLY 47 0.579 -1.414 -1.732 362 H ASN 48 H ASN 48 -2.484 -0.784 -2.204 363 HA ASN 48 HA ASN 48 -1.994 1.568 -3.710 364 1HB ASN 48 1HB ASN 48 -4.448 -0.030 -3.069 365 2HB ASN 48 2HB ASN 48 -4.588 1.520 -3.892 366 1HD2 ASN 48 1HD2 ASN 48 -3.287 -1.718 -4.094 367 2HD2 ASN 48 2HD2 ASN 48 -3.071 -1.731 -5.808 368 H PHE 49 H PHE 49 -2.976 1.062 -0.436 369 HA PHE 49 HA PHE 49 -4.189 3.672 -0.165 370 1HB PHE 49 1HB PHE 49 -3.440 1.604 1.905 371 2HB PHE 49 2HB PHE 49 -4.339 3.080 2.235 372 HD1 PHE 49 HD1 PHE 49 -4.454 -0.093 0.321 373 HD2 PHE 49 HD2 PHE 49 -6.656 3.154 1.972 374 HE1 PHE 49 HE1 PHE 49 -6.556 -1.267 -0.185 375 HE2 PHE 49 HE2 PHE 49 -8.763 1.985 1.470 376 HZ PHE 49 HZ PHE 49 -8.714 -0.228 0.390 377 H GLN 50 H GLN 50 -1.120 2.133 0.594 378 HA GLN 50 HA GLN 50 0.935 2.970 1.062 379 1HB GLN 50 1HB GLN 50 -0.369 5.587 0.314 380 2HB GLN 50 2HB GLN 50 1.329 5.441 0.743 381 1HG GLN 50 1HG GLN 50 1.518 5.280 -1.503 382 2HG GLN 50 2HG GLN 50 1.267 3.578 -1.123 383 1HE2 GLN 50 1HE2 GLN 50 -1.274 5.966 -0.944 384 2HE2 GLN 50 2HE2 GLN 50 -2.182 5.386 -2.293 385 H ASP 51 H ASP 51 -0.323 2.240 3.176 386 HA ASP 51 HA ASP 51 0.155 4.375 5.144 387 1HB ASP 51 1HB ASP 51 -2.086 2.360 5.083 388 2HB ASP 51 2HB ASP 51 -1.665 3.276 6.521 389 H GLU 52 H GLU 52 0.108 3.167 7.464 390 HA GLU 52 HA GLU 52 2.484 1.658 7.557 391 1HB GLU 52 1HB GLU 52 0.336 1.927 9.670 392 2HB GLU 52 2HB GLU 52 1.970 1.341 9.941 393 1HG GLU 52 1HG GLU 52 2.853 3.529 9.281 394 2HG GLU 52 2HG GLU 52 1.206 4.113 9.049 395 H ARG 53 H ARG 53 -0.915 0.731 7.631 396 HA ARG 53 HA ARG 53 -0.530 -1.993 8.278 397 1HB ARG 53 1HB ARG 53 -2.765 -0.576 6.825 398 2HB ARG 53 2HB ARG 53 -2.823 -2.275 7.271 399 1HG ARG 53 1HG ARG 53 -2.222 -0.341 9.423 400 2HG ARG 53 2HG ARG 53 -3.858 -0.350 8.776 401 1HD ARG 53 1HD ARG 53 -4.080 -2.702 9.269 402 2HD ARG 53 2HD ARG 53 -2.398 -2.783 9.791 403 HE ARG 53 HE ARG 53 -4.222 -0.993 11.216 404 1HH1 ARG 53 1HH1 ARG 53 -2.327 -3.917 11.145 405 2HH1 ARG 53 2HH1 ARG 53 -2.388 -4.152 12.860 406 1HH2 ARG 53 1HH2 ARG 53 -4.307 -1.294 13.475 407 2HH2 ARG 53 2HH2 ARG 53 -3.519 -2.663 14.184 408 H ALA 54 H ALA 54 0.252 -0.263 5.505 409 HA ALA 54 HA ALA 54 0.094 -2.646 3.782 410 1HB ALA 54 1HB ALA 54 -1.035 -0.669 2.902 411 2HB ALA 54 2HB ALA 54 0.348 -1.107 1.898 412 3HB ALA 54 3HB ALA 54 0.466 0.250 3.020 413 H VAL 55 H VAL 55 2.177 -1.439 5.852 414 HA VAL 55 HA VAL 55 4.533 -1.381 4.155 415 HB VAL 55 HB VAL 55 4.232 -0.932 7.125 416 1HG1 VAL 55 1HG1 VAL 55 6.432 -1.747 6.736 417 2HG1 VAL 55 2HG1 VAL 55 6.542 0.003 6.926 418 3HG1 VAL 55 3HG1 VAL 55 6.625 -0.717 5.318 419 1HG2 VAL 55 1HG2 VAL 55 3.193 0.816 5.816 420 2HG2 VAL 55 2HG2 VAL 55 4.644 0.981 4.830 421 3HG2 VAL 55 3HG2 VAL 55 4.683 1.422 6.538 422 H GLU 56 H GLU 56 3.613 -3.122 7.153 423 HA GLU 56 HA GLU 56 5.753 -4.921 7.067 424 1HB GLU 56 1HB GLU 56 4.540 -4.606 9.111 425 2HB GLU 56 2HB GLU 56 3.050 -5.184 8.377 426 1HG GLU 56 1HG GLU 56 3.774 -7.393 8.351 427 2HG GLU 56 2HG GLU 56 5.468 -6.939 8.542 428 HA PRO 57 HA PRO 57 2.338 -8.059 5.085 429 1HB PRO 57 1HB PRO 57 1.500 -5.899 3.200 430 2HB PRO 57 2HB PRO 57 0.605 -7.314 3.766 431 1HG PRO 57 1HG PRO 57 0.130 -4.910 4.804 432 2HG PRO 57 2HG PRO 57 0.131 -6.359 5.825 433 1HD PRO 57 1HD PRO 57 2.133 -4.178 5.640 434 2HD PRO 57 2HD PRO 57 1.735 -5.237 7.007 435 H LEU 58 H LEU 58 3.608 -5.404 3.078 436 HA LEU 58 HA LEU 58 4.439 -7.003 0.945 437 1HB LEU 58 1HB LEU 58 5.821 -4.455 1.718 438 2HB LEU 58 2HB LEU 58 5.547 -5.104 0.113 439 HG LEU 58 HG LEU 58 3.480 -3.885 1.943 440 1HD1 LEU 58 1HD1 LEU 58 4.886 -2.247 0.860 441 2HD1 LEU 58 2HD1 LEU 58 3.281 -2.233 0.128 442 3HD1 LEU 58 3HD1 LEU 58 4.624 -3.016 -0.705 443 1HD2 LEU 58 1HD2 LEU 58 2.513 -5.771 0.740 444 2HD2 LEU 58 2HD2 LEU 58 3.123 -5.125 -0.784 445 3HD2 LEU 58 3HD2 LEU 58 1.892 -4.242 0.118 446 H ILE 59 H ILE 59 6.083 -6.121 3.921 447 HA ILE 59 HA ILE 59 8.682 -6.890 3.175 448 HB ILE 59 HB ILE 59 7.444 -6.895 5.925 449 1HG1 ILE 59 1HG1 ILE 59 7.293 -4.710 4.837 450 2HG1 ILE 59 2HG1 ILE 59 8.470 -4.666 6.144 451 1HG2 ILE 59 1HG2 ILE 59 10.339 -6.883 5.083 452 2HG2 ILE 59 2HG2 ILE 59 9.485 -8.208 5.872 453 3HG2 ILE 59 3HG2 ILE 59 9.753 -6.694 6.735 454 1HD1 ILE 59 1HD1 ILE 59 9.291 -3.440 4.242 455 2HD1 ILE 59 2HD1 ILE 59 9.065 -4.843 3.200 456 3HD1 ILE 59 3HD1 ILE 59 10.276 -4.883 4.482 457 H LYS 60 H LYS 60 6.349 -8.699 5.195 458 HA LYS 60 HA LYS 60 7.909 -11.086 5.144 459 1HB LYS 60 1HB LYS 60 5.870 -12.119 6.164 460 2HB LYS 60 2HB LYS 60 6.482 -10.709 7.018 461 1HG LYS 60 1HG LYS 60 4.521 -9.702 6.835 462 2HG LYS 60 2HG LYS 60 4.561 -9.871 5.079 463 1HD LYS 60 1HD LYS 60 2.600 -10.976 5.745 464 2HD LYS 60 2HD LYS 60 3.770 -12.265 5.456 465 1HE LYS 60 1HE LYS 60 3.212 -11.088 8.173 466 2HE LYS 60 2HE LYS 60 2.394 -12.516 7.541 467 1HZ LYS 60 1HZ LYS 60 5.296 -12.215 8.082 468 2HZ LYS 60 2HZ LYS 60 4.618 -13.547 7.293 469 3HZ LYS 60 3HZ LYS 60 4.204 -13.217 8.899 470 H LEU 61 H LEU 61 6.057 -9.686 2.773 471 HA LEU 61 HA LEU 61 4.974 -12.153 1.686 472 1HB LEU 61 1HB LEU 61 4.598 -9.279 1.253 473 2HB LEU 61 2HB LEU 61 4.506 -10.249 -0.202 474 HG LEU 61 HG LEU 61 2.604 -11.361 0.493 475 1HD1 LEU 61 1HD1 LEU 61 3.330 -10.574 3.304 476 2HD1 LEU 61 2HD1 LEU 61 3.256 -12.196 2.618 477 3HD1 LEU 61 3HD1 LEU 61 1.773 -11.275 2.867 478 1HD2 LEU 61 1HD2 LEU 61 1.040 -9.664 1.265 479 2HD2 LEU 61 2HD2 LEU 61 2.144 -9.009 0.055 480 3HD2 LEU 61 3HD2 LEU 61 2.386 -8.641 1.762 481 H LEU 62 H LEU 62 7.544 -9.860 0.937 482 HA LEU 62 HA LEU 62 8.134 -10.809 -1.644 483 1HB LEU 62 1HB LEU 62 9.951 -9.489 0.371 484 2HB LEU 62 2HB LEU 62 10.283 -9.659 -1.345 485 HG LEU 62 HG LEU 62 7.762 -8.286 -0.565 486 1HD1 LEU 62 1HD1 LEU 62 9.295 -7.252 0.965 487 2HD1 LEU 62 2HD1 LEU 62 9.001 -6.140 -0.372 488 3HD1 LEU 62 3HD1 LEU 62 10.504 -7.058 -0.304 489 1HD2 LEU 62 1HD2 LEU 62 8.271 -8.656 -2.906 490 2HD2 LEU 62 2HD2 LEU 62 9.831 -7.856 -2.719 491 3HD2 LEU 62 3HD2 LEU 62 8.341 -6.932 -2.539 492 H GLU 63 H GLU 63 8.428 -12.282 1.324 493 HA GLU 63 HA GLU 63 10.541 -14.081 0.356 494 1HB GLU 63 1HB GLU 63 10.765 -14.705 2.784 495 2HB GLU 63 2HB GLU 63 11.244 -13.066 2.380 496 1HG GLU 63 1HG GLU 63 9.183 -12.199 3.262 497 2HG GLU 63 2HG GLU 63 8.583 -13.832 3.555 498 H ASP 64 H ASP 64 7.234 -13.812 0.964 499 HA ASP 64 HA ASP 64 6.573 -16.380 1.863 500 1HB ASP 64 1HB ASP 64 5.085 -14.264 1.603 501 2HB ASP 64 2HB ASP 64 4.818 -14.857 -0.033 502 H ASP 65 H ASP 65 7.417 -15.162 -1.230 503 HA ASP 65 HA ASP 65 7.631 -16.086 -3.306 504 1HB ASP 65 1HB ASP 65 8.424 -18.418 -1.556 505 2HB ASP 65 2HB ASP 65 8.687 -18.359 -3.296 506 H SER 66 H SER 66 4.946 -16.262 -2.140 507 HA SER 66 HA SER 66 3.912 -18.834 -2.976 508 1HB SER 66 1HB SER 66 2.977 -17.558 -1.031 509 2HB SER 66 2HB SER 66 2.368 -16.367 -2.176 510 HG SER 66 HG SER 66 0.952 -18.217 -1.450 511 H GLY 67 H GLY 67 4.811 -16.074 -4.578 512 1HA GLY 67 1HA GLY 67 4.649 -15.785 -6.910 513 2HA GLY 67 2HA GLY 67 3.255 -16.856 -6.924 514 H PHE 68 H PHE 68 1.219 -16.011 -6.106 515 HA PHE 68 HA PHE 68 0.655 -13.419 -7.112 516 1HB PHE 68 1HB PHE 68 -0.907 -15.458 -6.897 517 2HB PHE 68 2HB PHE 68 -1.108 -14.974 -5.222 518 HD1 PHE 68 HD1 PHE 68 -3.488 -15.207 -6.540 519 HD2 PHE 68 HD2 PHE 68 -0.771 -11.929 -6.813 520 HE1 PHE 68 HE1 PHE 68 -5.337 -13.733 -7.212 521 HE2 PHE 68 HE2 PHE 68 -2.626 -10.460 -7.479 522 HZ PHE 68 HZ PHE 68 -4.907 -11.357 -7.680 523 H VAL 69 H VAL 69 0.978 -14.768 -3.864 524 HA VAL 69 HA VAL 69 0.413 -12.324 -2.503 525 HB VAL 69 HB VAL 69 1.811 -14.777 -1.440 526 1HG1 VAL 69 1HG1 VAL 69 0.452 -12.468 -0.074 527 2HG1 VAL 69 2HG1 VAL 69 2.147 -12.947 0.039 528 3HG1 VAL 69 3HG1 VAL 69 0.894 -13.970 0.738 529 1HG2 VAL 69 1HG2 VAL 69 -0.397 -15.470 -0.634 530 2HG2 VAL 69 2HG2 VAL 69 -0.354 -15.360 -2.393 531 3HG2 VAL 69 3HG2 VAL 69 -1.124 -14.086 -1.449 532 H ARG 70 H ARG 70 3.368 -13.995 -3.489 533 HA ARG 70 HA ARG 70 5.128 -12.233 -2.097 534 1HB ARG 70 1HB ARG 70 5.649 -14.597 -2.842 535 2HB ARG 70 2HB ARG 70 5.817 -13.961 -4.473 536 1HG ARG 70 1HG ARG 70 7.391 -12.671 -2.309 537 2HG ARG 70 2HG ARG 70 7.890 -14.268 -2.867 538 1HD ARG 70 1HD ARG 70 7.493 -11.837 -4.610 539 2HD ARG 70 2HD ARG 70 9.046 -12.475 -4.074 540 HE ARG 70 HE ARG 70 7.210 -13.799 -5.954 541 1HH1 ARG 70 1HH1 ARG 70 10.367 -13.434 -4.522 542 2HH1 ARG 70 2HH1 ARG 70 11.144 -14.491 -5.654 543 1HH2 ARG 70 1HH2 ARG 70 8.221 -15.196 -7.441 544 2HH2 ARG 70 2HH2 ARG 70 9.922 -15.498 -7.310 545 H SER 71 H SER 71 4.619 -12.666 -5.609 546 HA SER 71 HA SER 71 5.985 -10.430 -6.478 547 1HB SER 71 1HB SER 71 5.117 -12.166 -7.998 548 2HB SER 71 2HB SER 71 3.475 -11.598 -7.699 549 HG SER 71 HG SER 71 4.108 -9.580 -8.596 550 H GLY 72 H GLY 72 2.852 -10.647 -5.002 551 1HA GLY 72 1HA GLY 72 1.744 -8.203 -5.795 552 2HA GLY 72 2HA GLY 72 1.382 -9.037 -4.290 553 H ALA 73 H ALA 73 3.801 -8.968 -3.010 554 HA ALA 73 HA ALA 73 3.815 -6.418 -1.862 555 1HB ALA 73 1HB ALA 73 5.783 -8.686 -1.784 556 2HB ALA 73 2HB ALA 73 4.636 -8.178 -0.543 557 3HB ALA 73 3HB ALA 73 6.047 -7.183 -0.900 558 H ALA 74 H ALA 74 5.958 -7.900 -4.260 559 HA ALA 74 HA ALA 74 7.776 -5.773 -4.492 560 1HB ALA 74 1HB ALA 74 8.303 -7.969 -5.338 561 2HB ALA 74 2HB ALA 74 8.360 -6.805 -6.663 562 3HB ALA 74 3HB ALA 74 6.972 -7.879 -6.492 563 H ARG 75 H ARG 75 4.595 -6.269 -5.678 564 HA ARG 75 HA ARG 75 4.744 -4.272 -7.753 565 1HB ARG 75 1HB ARG 75 3.320 -6.253 -8.012 566 2HB ARG 75 2HB ARG 75 2.386 -5.773 -6.601 567 1HG ARG 75 1HG ARG 75 1.832 -3.652 -7.869 568 2HG ARG 75 2HG ARG 75 2.508 -4.448 -9.292 569 1HD ARG 75 1HD ARG 75 0.911 -6.368 -8.785 570 2HD ARG 75 2HD ARG 75 0.127 -5.270 -7.650 571 HE ARG 75 HE ARG 75 -0.774 -4.109 -9.415 572 1HH1 ARG 75 1HH1 ARG 75 1.669 -6.302 -10.580 573 2HH1 ARG 75 2HH1 ARG 75 1.267 -6.070 -12.249 574 1HH2 ARG 75 1HH2 ARG 75 -1.317 -3.802 -11.609 575 2HH2 ARG 75 2HH2 ARG 75 -0.427 -4.644 -12.833 576 H SER 76 H SER 76 3.435 -4.557 -4.495 577 HA SER 76 HA SER 76 2.025 -2.110 -4.466 578 1HB SER 76 1HB SER 76 3.158 -3.715 -2.167 579 2HB SER 76 2HB SER 76 1.983 -2.409 -2.017 580 HG SER 76 HG SER 76 1.657 -4.942 -3.226 581 H LEU 77 H LEU 77 5.362 -2.936 -3.663 582 HA LEU 77 HA LEU 77 6.090 -0.632 -2.289 583 1HB LEU 77 1HB LEU 77 7.748 -2.271 -4.203 584 2HB LEU 77 2HB LEU 77 8.389 -1.086 -3.083 585 HG LEU 77 HG LEU 77 7.016 -3.672 -2.363 586 1HD1 LEU 77 1HD1 LEU 77 9.269 -3.972 -3.153 587 2HD1 LEU 77 2HD1 LEU 77 9.217 -4.210 -1.406 588 3HD1 LEU 77 3HD1 LEU 77 9.847 -2.704 -2.073 589 1HD2 LEU 77 1HD2 LEU 77 7.487 -3.106 -0.048 590 2HD2 LEU 77 2HD2 LEU 77 6.444 -1.883 -0.774 591 3HD2 LEU 77 3HD2 LEU 77 8.161 -1.554 -0.544 592 H GLU 78 H GLU 78 6.633 -1.250 -5.765 593 HA GLU 78 HA GLU 78 7.455 1.296 -6.469 594 1HB GLU 78 1HB GLU 78 5.831 -0.646 -8.124 595 2HB GLU 78 2HB GLU 78 6.722 0.730 -8.759 596 1HG GLU 78 1HG GLU 78 8.808 -0.289 -7.876 597 2HG GLU 78 2HG GLU 78 7.866 -1.706 -7.416 598 H GLN 79 H GLN 79 4.270 0.079 -5.815 599 HA GLN 79 HA GLN 79 2.824 2.230 -6.999 600 1HB GLN 79 1HB GLN 79 2.082 0.139 -4.962 601 2HB GLN 79 2HB GLN 79 0.952 1.379 -5.488 602 1HG GLN 79 1HG GLN 79 1.149 0.596 -7.784 603 2HG GLN 79 2HG GLN 79 2.297 -0.640 -7.271 604 1HE2 GLN 79 1HE2 GLN 79 1.561 -2.431 -6.149 605 2HE2 GLN 79 2HE2 GLN 79 -0.114 -2.841 -6.051 606 H ILE 80 H ILE 80 4.091 1.612 -3.761 607 HA ILE 80 HA ILE 80 2.841 3.917 -2.603 608 HB ILE 80 HB ILE 80 5.152 2.277 -1.537 609 1HG1 ILE 80 1HG1 ILE 80 2.198 2.072 -0.900 610 2HG1 ILE 80 2HG1 ILE 80 3.060 0.976 -1.972 611 1HG2 ILE 80 1HG2 ILE 80 3.258 4.160 -0.126 612 2HG2 ILE 80 2HG2 ILE 80 4.945 4.500 -0.513 613 3HG2 ILE 80 3HG2 ILE 80 4.543 3.218 0.628 614 1HD1 ILE 80 1HD1 ILE 80 3.590 1.374 0.962 615 2HD1 ILE 80 2HD1 ILE 80 4.492 0.298 -0.106 616 3HD1 ILE 80 3HD1 ILE 80 2.786 -0.006 0.216 617 H GLY 81 H GLY 81 6.281 3.131 -3.176 618 1HA GLY 81 1HA GLY 81 8.085 4.468 -3.637 619 2HA GLY 81 2HA GLY 81 6.950 5.509 -4.475 620 H GLY 82 H GLY 82 9.102 5.279 -1.909 621 1HA GLY 82 1HA GLY 82 9.100 7.883 -1.149 622 2HA GLY 82 2HA GLY 82 7.817 7.189 -0.169 623 H GLU 83 H GLU 83 9.408 8.058 1.487 624 HA GLU 83 HA GLU 83 11.868 6.783 1.974 625 1HB GLU 83 1HB GLU 83 11.287 8.901 3.028 626 2HB GLU 83 2HB GLU 83 9.963 8.137 3.894 627 1HG GLU 83 1HG GLU 83 11.559 6.764 5.129 628 2HG GLU 83 2HG GLU 83 12.888 7.526 4.259 629 H ARG 84 H ARG 84 8.587 6.068 3.050 630 HA ARG 84 HA ARG 84 9.173 4.055 4.886 631 1HB ARG 84 1HB ARG 84 6.877 3.384 4.699 632 2HB ARG 84 2HB ARG 84 6.938 5.133 4.574 633 1HG ARG 84 1HG ARG 84 6.708 3.257 2.228 634 2HG ARG 84 2HG ARG 84 5.350 4.078 2.999 635 1HD ARG 84 1HD ARG 84 7.671 5.340 1.548 636 2HD ARG 84 2HD ARG 84 5.982 5.313 1.045 637 HE ARG 84 HE ARG 84 6.604 6.622 3.573 638 1HH1 ARG 84 1HH1 ARG 84 5.820 6.905 0.188 639 2HH1 ARG 84 2HH1 ARG 84 5.367 8.573 0.301 640 1HH2 ARG 84 1HH2 ARG 84 6.007 8.816 3.730 641 2HH2 ARG 84 2HH2 ARG 84 5.467 9.657 2.315 642 H VAL 85 H VAL 85 8.619 3.889 1.397 643 HA VAL 85 HA VAL 85 8.890 1.062 1.220 644 HB VAL 85 HB VAL 85 9.514 2.863 -1.089 645 1HG1 VAL 85 1HG1 VAL 85 7.921 0.314 -0.885 646 2HG1 VAL 85 2HG1 VAL 85 9.628 0.410 -1.318 647 3HG1 VAL 85 3HG1 VAL 85 8.411 1.140 -2.364 648 1HG2 VAL 85 1HG2 VAL 85 7.048 2.994 -1.522 649 2HG2 VAL 85 2HG2 VAL 85 7.621 3.967 -0.168 650 3HG2 VAL 85 3HG2 VAL 85 6.797 2.436 0.133 651 H ARG 86 H ARG 86 11.090 3.736 1.250 652 HA ARG 86 HA ARG 86 13.322 2.654 -0.001 653 1HB ARG 86 1HB ARG 86 12.736 4.969 1.445 654 2HB ARG 86 2HB ARG 86 14.051 4.213 2.333 655 1HG ARG 86 1HG ARG 86 14.134 4.747 -0.624 656 2HG ARG 86 2HG ARG 86 14.750 5.865 0.593 657 1HD ARG 86 1HD ARG 86 16.369 4.267 1.337 658 2HD ARG 86 2HD ARG 86 15.659 3.006 0.329 659 HE ARG 86 HE ARG 86 16.340 4.794 -1.514 660 1HH1 ARG 86 1HH1 ARG 86 18.126 3.607 1.231 661 2HH1 ARG 86 2HH1 ARG 86 19.671 3.799 0.472 662 1HH2 ARG 86 1HH2 ARG 86 18.367 5.041 -2.527 663 2HH2 ARG 86 2HH2 ARG 86 19.807 4.610 -1.667 664 H ALA 87 H ALA 87 12.009 2.086 3.173 665 HA ALA 87 HA ALA 87 14.344 0.617 4.073 666 1HB ALA 87 1HB ALA 87 13.133 0.306 6.141 667 2HB ALA 87 2HB ALA 87 11.652 0.913 5.400 668 3HB ALA 87 3HB ALA 87 13.024 1.994 5.641 669 H ALA 88 H ALA 88 11.427 0.002 2.409 670 HA ALA 88 HA ALA 88 10.996 -2.689 3.166 671 1HB ALA 88 1HB ALA 88 9.475 -2.803 1.315 672 2HB ALA 88 2HB ALA 88 10.193 -1.370 0.580 673 3HB ALA 88 3HB ALA 88 9.298 -1.230 2.093 674 H MET 89 H MET 89 12.597 -1.270 0.291 675 HA MET 89 HA MET 89 13.363 -3.819 -0.730 676 1HB MET 89 1HB MET 89 14.714 -2.533 -2.326 677 2HB MET 89 2HB MET 89 13.072 -1.916 -2.216 678 1HG MET 89 1HG MET 89 14.911 -0.609 -0.382 679 2HG MET 89 2HG MET 89 15.371 -0.444 -2.070 680 1HE MET 89 1HE MET 89 15.086 2.239 -1.400 681 2HE MET 89 2HE MET 89 13.730 2.890 -2.323 682 3HE MET 89 3HE MET 89 14.843 1.747 -3.077 683 H GLU 90 H GLU 90 14.781 -1.509 1.448 684 HA GLU 90 HA GLU 90 17.444 -2.489 1.326 685 1HB GLU 90 1HB GLU 90 15.939 -0.815 3.320 686 2HB GLU 90 2HB GLU 90 17.589 -1.336 3.628 687 1HG GLU 90 1HG GLU 90 18.298 -0.236 1.540 688 2HG GLU 90 2HG GLU 90 16.647 0.338 1.310 689 H LYS 91 H LYS 91 14.603 -3.362 3.173 690 HA LYS 91 HA LYS 91 16.049 -5.122 4.941 691 1HB LYS 91 1HB LYS 91 14.028 -3.999 5.728 692 2HB LYS 91 2HB LYS 91 13.079 -4.781 4.472 693 1HG LYS 91 1HG LYS 91 12.706 -5.896 6.563 694 2HG LYS 91 2HG LYS 91 13.605 -6.970 5.490 695 1HD LYS 91 1HD LYS 91 15.697 -6.279 6.635 696 2HD LYS 91 2HD LYS 91 14.727 -5.323 7.757 697 1HE LYS 91 1HE LYS 91 13.572 -7.342 8.492 698 2HE LYS 91 2HE LYS 91 14.508 -8.303 7.348 699 1HZ LYS 91 1HZ LYS 91 15.625 -6.768 9.632 700 2HZ LYS 91 2HZ LYS 91 16.521 -7.693 8.535 701 3HZ LYS 91 3HZ LYS 91 15.421 -8.447 9.576 702 H LEU 92 H LEU 92 14.491 -5.371 1.852 703 HA LEU 92 HA LEU 92 14.337 -8.256 1.970 704 1HB LEU 92 1HB LEU 92 12.558 -7.493 0.759 705 2HB LEU 92 2HB LEU 92 13.431 -6.103 0.144 706 HG LEU 92 HG LEU 92 14.659 -7.627 -1.381 707 1HD1 LEU 92 1HD1 LEU 92 12.606 -9.647 -0.481 708 2HD1 LEU 92 2HD1 LEU 92 14.329 -9.706 -0.113 709 3HD1 LEU 92 3HD1 LEU 92 13.778 -9.863 -1.781 710 1HD2 LEU 92 1HD2 LEU 92 11.752 -7.081 -1.477 711 2HD2 LEU 92 2HD2 LEU 92 12.403 -8.181 -2.689 712 3HD2 LEU 92 3HD2 LEU 92 13.041 -6.543 -2.552 713 H ALA 93 H ALA 93 16.358 -5.724 0.676 714 HA ALA 93 HA ALA 93 17.880 -7.170 -1.152 715 1HB ALA 93 1HB ALA 93 18.745 -4.881 0.613 716 2HB ALA 93 2HB ALA 93 18.011 -4.750 -0.986 717 3HB ALA 93 3HB ALA 93 19.615 -5.462 -0.807 718 H GLU 94 H GLU 94 17.902 -7.176 2.316 719 HA GLU 94 HA GLU 94 20.458 -8.491 2.554 720 1HB GLU 94 1HB GLU 94 18.341 -8.454 4.692 721 2HB GLU 94 2HB GLU 94 20.090 -8.474 4.877 722 1HG GLU 94 1HG GLU 94 18.468 -6.166 3.845 723 2HG GLU 94 2HG GLU 94 19.122 -6.315 5.477 724 H THR 95 H THR 95 17.118 -9.330 2.253 725 HA THR 95 HA THR 95 17.765 -12.190 2.534 726 HB THR 95 HB THR 95 15.282 -12.516 2.737 727 HG1 THR 95 HG1 THR 95 14.253 -10.399 3.453 728 1HG2 THR 95 1HG2 THR 95 16.680 -12.500 4.729 729 2HG2 THR 95 2HG2 THR 95 15.144 -11.699 5.066 730 3HG2 THR 95 3HG2 THR 95 16.599 -10.739 4.799 731 H GLY 96 H GLY 96 18.203 -10.401 0.219 732 1HA GLY 96 1HA GLY 96 16.399 -10.567 -1.826 733 2HA GLY 96 2HA GLY 96 18.137 -10.639 -2.063 734 H THR 97 H THR 97 15.229 -12.270 -2.380 735 HA THR 97 HA THR 97 16.636 -14.696 -3.204 736 HB THR 97 HB THR 97 14.832 -16.088 -2.123 737 HG1 THR 97 HG1 THR 97 13.794 -13.740 -1.597 738 1HG2 THR 97 1HG2 THR 97 15.858 -16.052 0.099 739 2HG2 THR 97 2HG2 THR 97 16.606 -14.498 -0.270 740 3HG2 THR 97 3HG2 THR 97 17.079 -15.940 -1.168 741 H GLY 98 H GLY 98 15.911 -15.453 -5.086 742 1HA GLY 98 1HA GLY 98 14.621 -15.742 -6.955 743 2HA GLY 98 2HA GLY 98 13.229 -15.520 -5.909 744 H PHE 99 H PHE 99 11.989 -14.280 -7.197 745 HA PHE 99 HA PHE 99 12.930 -12.125 -8.778 746 1HB PHE 99 1HB PHE 99 10.944 -13.117 -9.516 747 2HB PHE 99 2HB PHE 99 10.224 -13.099 -7.912 748 HD1 PHE 99 HD1 PHE 99 8.681 -11.485 -7.383 749 HD2 PHE 99 HD2 PHE 99 11.371 -10.793 -10.605 750 HE1 PHE 99 HE1 PHE 99 7.467 -9.421 -7.945 751 HE2 PHE 99 HE2 PHE 99 10.166 -8.725 -11.170 752 HZ PHE 99 HZ PHE 99 8.210 -8.036 -9.839 753 H ALA 100 H ALA 100 11.884 -12.362 -5.470 754 HA ALA 100 HA ALA 100 11.100 -9.761 -4.921 755 1HB ALA 100 1HB ALA 100 10.871 -11.573 -3.319 756 2HB ALA 100 2HB ALA 100 11.728 -10.208 -2.603 757 3HB ALA 100 3HB ALA 100 12.623 -11.638 -3.121 758 H ARG 101 H ARG 101 14.383 -11.126 -4.814 759 HA ARG 101 HA ARG 101 15.737 -8.883 -3.888 760 1HB ARG 101 1HB ARG 101 16.704 -11.152 -4.148 761 2HB ARG 101 2HB ARG 101 16.727 -10.893 -5.887 762 1HG ARG 101 1HG ARG 101 18.405 -9.279 -5.751 763 2HG ARG 101 2HG ARG 101 18.139 -9.021 -4.026 764 1HD ARG 101 1HD ARG 101 20.191 -10.270 -4.411 765 2HD ARG 101 2HD ARG 101 19.001 -11.251 -3.555 766 HE ARG 101 HE ARG 101 18.965 -11.605 -6.410 767 1HH1 ARG 101 1HH1 ARG 101 20.413 -12.635 -3.411 768 2HH1 ARG 101 2HH1 ARG 101 20.886 -14.185 -4.024 769 1HH2 ARG 101 1HH2 ARG 101 19.582 -13.640 -7.224 770 2HH2 ARG 101 2HH2 ARG 101 20.416 -14.755 -6.193 771 H LYS 102 H LYS 102 15.479 -9.936 -7.285 772 HA LYS 102 HA LYS 102 16.689 -7.852 -8.565 773 1HB LYS 102 1HB LYS 102 15.872 -9.802 -9.755 774 2HB LYS 102 2HB LYS 102 14.207 -9.363 -9.407 775 1HG LYS 102 1HG LYS 102 14.517 -8.727 -11.622 776 2HG LYS 102 2HG LYS 102 14.685 -7.221 -10.719 777 1HD LYS 102 1HD LYS 102 16.453 -7.217 -12.273 778 2HD LYS 102 2HD LYS 102 17.188 -7.674 -10.734 779 1HE LYS 102 1HE LYS 102 17.057 -10.038 -11.396 780 2HE LYS 102 2HE LYS 102 16.366 -9.556 -12.945 781 1HZ LYS 102 1HZ LYS 102 18.415 -8.305 -13.389 782 2HZ LYS 102 2HZ LYS 102 18.709 -9.959 -13.184 783 3HZ LYS 102 3HZ LYS 102 19.076 -8.875 -11.939 784 H VAL 103 H VAL 103 13.658 -7.847 -6.934 785 HA VAL 103 HA VAL 103 12.596 -5.479 -8.121 786 HB VAL 103 HB VAL 103 11.903 -7.027 -5.636 787 1HG1 VAL 103 1HG1 VAL 103 11.312 -4.693 -5.244 788 2HG1 VAL 103 2HG1 VAL 103 9.857 -5.658 -5.497 789 3HG1 VAL 103 3HG1 VAL 103 10.469 -4.630 -6.793 790 1HG2 VAL 103 1HG2 VAL 103 10.060 -7.843 -6.882 791 2HG2 VAL 103 2HG2 VAL 103 11.477 -7.990 -7.922 792 3HG2 VAL 103 3HG2 VAL 103 10.328 -6.676 -8.175 793 H ALA 104 H ALA 104 13.928 -6.142 -4.864 794 HA ALA 104 HA ALA 104 13.875 -3.560 -3.878 795 1HB ALA 104 1HB ALA 104 14.328 -5.381 -2.417 796 2HB ALA 104 2HB ALA 104 15.730 -4.313 -2.379 797 3HB ALA 104 3HB ALA 104 15.788 -5.810 -3.308 798 H VAL 105 H VAL 105 16.489 -5.162 -5.653 799 HA VAL 105 HA VAL 105 18.334 -3.038 -5.502 800 HB VAL 105 HB VAL 105 18.186 -5.211 -7.592 801 1HG1 VAL 105 1HG1 VAL 105 19.637 -3.388 -8.272 802 2HG1 VAL 105 2HG1 VAL 105 20.601 -4.799 -7.835 803 3HG1 VAL 105 3HG1 VAL 105 20.468 -3.442 -6.716 804 1HG2 VAL 105 1HG2 VAL 105 18.252 -6.130 -5.333 805 2HG2 VAL 105 2HG2 VAL 105 19.658 -5.134 -4.959 806 3HG2 VAL 105 3HG2 VAL 105 19.778 -6.410 -6.171 807 H ASN 106 H ASN 106 16.300 -4.073 -8.248 808 HA ASN 106 HA ASN 106 17.051 -1.970 -9.952 809 1HB ASN 106 1HB ASN 106 16.011 -4.027 -10.767 810 2HB ASN 106 2HB ASN 106 14.510 -3.605 -9.949 811 1HD2 ASN 106 1HD2 ASN 106 16.610 -2.925 -12.624 812 2HD2 ASN 106 2HD2 ASN 106 15.500 -1.944 -13.513 813 H TYR 107 H TYR 107 14.316 -2.252 -7.705 814 HA TYR 107 HA TYR 107 12.932 0.032 -8.523 815 1HB TYR 107 1HB TYR 107 11.816 -1.606 -7.227 816 2HB TYR 107 2HB TYR 107 13.036 -1.544 -5.967 817 HD1 TYR 107 HD1 TYR 107 12.409 -0.601 -4.062 818 HD2 TYR 107 HD2 TYR 107 10.742 0.893 -7.660 819 HE1 TYR 107 HE1 TYR 107 11.086 1.022 -2.758 820 HE2 TYR 107 HE2 TYR 107 9.412 2.523 -6.386 821 HH TYR 107 HH TYR 107 8.521 2.783 -4.098 822 H LEU 108 H LEU 108 15.714 -0.411 -6.501 823 HA LEU 108 HA LEU 108 15.697 1.918 -4.988 824 1HB LEU 108 1HB LEU 108 17.823 0.116 -6.031 825 2HB LEU 108 2HB LEU 108 18.305 1.641 -5.327 826 HG LEU 108 HG LEU 108 16.514 -0.235 -3.819 827 1HD1 LEU 108 1HD1 LEU 108 18.503 -1.190 -2.764 828 2HD1 LEU 108 2HD1 LEU 108 19.529 -0.287 -3.879 829 3HD1 LEU 108 3HD1 LEU 108 18.456 -1.544 -4.490 830 1HD2 LEU 108 1HD2 LEU 108 18.546 1.799 -2.908 831 2HD2 LEU 108 2HD2 LEU 108 17.409 0.907 -1.896 832 3HD2 LEU 108 3HD2 LEU 108 16.814 2.102 -3.050 833 H GLU 109 H GLU 109 16.183 1.523 -8.370 834 HA GLU 109 HA GLU 109 17.655 3.951 -8.779 835 1HB GLU 109 1HB GLU 109 16.172 2.174 -10.719 836 2HB GLU 109 2HB GLU 109 17.185 3.532 -11.186 837 1HG GLU 109 1HG GLU 109 19.120 2.438 -10.177 838 2HG GLU 109 2HG GLU 109 18.104 1.076 -9.710 839 H THR 110 H THR 110 14.634 3.593 -7.711 840 HA THR 110 HA THR 110 13.570 5.839 -9.291 841 HB THR 110 HB THR 110 11.906 4.030 -7.548 842 HG1 THR 110 HG1 THR 110 11.650 2.682 -9.250 843 1HG2 THR 110 1HG2 THR 110 10.960 6.209 -8.252 844 2HG2 THR 110 2HG2 THR 110 10.078 4.837 -8.921 845 3HG2 THR 110 3HG2 THR 110 11.202 5.742 -9.935 846 H HIS 111 H HIS 111 12.772 4.594 -6.055 847 HA HIS 111 HA HIS 111 12.959 7.340 -5.039 848 1HB HIS 111 1HB HIS 111 11.621 4.885 -3.882 849 2HB HIS 111 2HB HIS 111 11.670 6.457 -3.092 850 HD1 HIS 111 HD1 HIS 111 10.013 8.214 -3.874 851 HD2 HIS 111 HD2 HIS 111 9.972 4.772 -6.202 852 HE1 HIS 111 HE1 HIS 111 7.995 8.431 -5.359 853 HE2 HIS 111 HE2 HIS 111 8.039 6.377 -6.818 Start of MODEL 18 1 H MET 1 H MET 1 -18.353 14.605 11.986 2 HA MET 1 HA MET 1 -17.726 12.659 9.845 3 1HB MET 1 1HB MET 1 -20.044 14.578 10.162 4 2HB MET 1 2HB MET 1 -19.724 13.608 8.731 5 1HG MET 1 1HG MET 1 -19.987 11.571 10.092 6 2HG MET 1 2HG MET 1 -20.398 12.580 11.477 7 1HE MET 1 1HE MET 1 -23.808 10.898 10.425 8 2HE MET 1 2HE MET 1 -22.713 11.202 11.774 9 3HE MET 1 3HE MET 1 -22.186 10.205 10.420 10 H ALA 2 H ALA 2 -16.906 13.497 7.964 11 HA ALA 2 HA ALA 2 -15.692 14.891 6.642 12 1HB ALA 2 1HB ALA 2 -17.410 17.045 7.866 13 2HB ALA 2 2HB ALA 2 -17.853 16.049 6.481 14 3HB ALA 2 3HB ALA 2 -16.491 17.163 6.366 15 H ASP 3 H ASP 3 -14.922 14.425 9.536 16 HA ASP 3 HA ASP 3 -12.719 16.308 9.548 17 1HB ASP 3 1HB ASP 3 -14.295 17.578 10.835 18 2HB ASP 3 2HB ASP 3 -14.733 16.169 11.797 19 H GLU 4 H GLU 4 -10.895 15.447 10.379 20 HA GLU 4 HA GLU 4 -9.444 13.882 11.154 21 1HB GLU 4 1HB GLU 4 -11.767 13.314 12.998 22 2HB GLU 4 2HB GLU 4 -10.179 12.581 13.178 23 1HG GLU 4 1HG GLU 4 -9.186 14.783 13.485 24 2HG GLU 4 2HG GLU 4 -10.767 15.533 13.274 25 H ASN 5 H ASN 5 -11.721 13.209 9.154 26 HA ASN 5 HA ASN 5 -11.015 10.380 8.953 27 1HB ASN 5 1HB ASN 5 -13.830 11.464 9.028 28 2HB ASN 5 2HB ASN 5 -13.440 9.903 8.312 29 1HD2 ASN 5 1HD2 ASN 5 -15.094 10.567 10.627 30 2HD2 ASN 5 2HD2 ASN 5 -14.429 9.684 11.954 31 H LYS 6 H LYS 6 -12.663 13.137 7.453 32 HA LYS 6 HA LYS 6 -12.731 13.918 5.326 33 1HB LYS 6 1HB LYS 6 -10.296 12.165 4.928 34 2HB LYS 6 2HB LYS 6 -10.840 13.425 3.828 35 1HG LYS 6 1HG LYS 6 -10.528 15.075 5.665 36 2HG LYS 6 2HG LYS 6 -9.823 13.782 6.638 37 1HD LYS 6 1HD LYS 6 -8.786 14.673 3.946 38 2HD LYS 6 2HD LYS 6 -8.131 15.197 5.498 39 1HE LYS 6 1HE LYS 6 -7.644 12.837 6.047 40 2HE LYS 6 2HE LYS 6 -8.217 12.371 4.446 41 1HZ LYS 6 1HZ LYS 6 -6.469 13.737 3.472 42 2HZ LYS 6 2HZ LYS 6 -5.816 12.555 4.490 43 3HZ LYS 6 3HZ LYS 6 -5.914 14.160 5.013 44 H TRP 7 H TRP 7 -11.434 10.711 4.519 45 HA TRP 7 HA TRP 7 -14.053 9.987 3.417 46 1HB TRP 7 1HB TRP 7 -13.048 9.147 1.371 47 2HB TRP 7 2HB TRP 7 -12.646 10.847 1.575 48 HD1 TRP 7 HD1 TRP 7 -10.072 10.881 3.195 49 HE1 TRP 7 HE1 TRP 7 -7.901 9.771 2.364 50 HE3 TRP 7 HE3 TRP 7 -12.077 7.582 -0.159 51 HZ2 TRP 7 HZ2 TRP 7 -7.142 7.766 0.527 52 HZ3 TRP 7 HZ3 TRP 7 -10.561 6.106 -1.412 53 HH2 TRP 7 HH2 TRP 7 -8.146 6.196 -1.077 54 H VAL 8 H VAL 8 -14.694 8.186 4.369 55 HA VAL 8 HA VAL 8 -12.732 6.047 4.823 56 HB VAL 8 HB VAL 8 -13.856 5.494 6.963 57 1HG1 VAL 8 1HG1 VAL 8 -12.816 7.272 8.277 58 2HG1 VAL 8 2HG1 VAL 8 -12.686 8.270 6.830 59 3HG1 VAL 8 3HG1 VAL 8 -11.775 6.764 6.948 60 1HG2 VAL 8 1HG2 VAL 8 -16.005 6.548 6.587 61 2HG2 VAL 8 2HG2 VAL 8 -15.245 8.139 6.543 62 3HG2 VAL 8 3HG2 VAL 8 -15.261 7.210 8.042 63 H ARG 9 H ARG 9 -16.080 6.997 4.276 64 HA ARG 9 HA ARG 9 -16.591 4.603 2.813 65 1HB ARG 9 1HB ARG 9 -18.430 3.747 4.214 66 2HB ARG 9 2HB ARG 9 -16.877 3.660 5.033 67 1HG ARG 9 1HG ARG 9 -18.129 4.488 6.728 68 2HG ARG 9 2HG ARG 9 -17.661 6.011 5.970 69 1HD ARG 9 1HD ARG 9 -20.043 5.986 6.483 70 2HD ARG 9 2HD ARG 9 -19.774 6.051 4.741 71 HE ARG 9 HE ARG 9 -20.041 3.377 5.402 72 1HH1 ARG 9 1HH1 ARG 9 -21.989 6.265 5.528 73 2HH1 ARG 9 2HH1 ARG 9 -23.489 5.414 5.372 74 1HH2 ARG 9 1HH2 ARG 9 -22.012 2.251 5.197 75 2HH2 ARG 9 2HH2 ARG 9 -23.503 3.133 5.185 76 H ARG 10 H ARG 10 -17.131 7.762 3.462 77 HA ARG 10 HA ARG 10 -19.844 8.098 2.800 78 1HB ARG 10 1HB ARG 10 -18.531 9.910 3.771 79 2HB ARG 10 2HB ARG 10 -17.492 9.949 2.352 80 1HG ARG 10 1HG ARG 10 -19.248 10.782 0.988 81 2HG ARG 10 2HG ARG 10 -20.445 10.498 2.252 82 1HD ARG 10 1HD ARG 10 -19.819 12.873 2.064 83 2HD ARG 10 2HD ARG 10 -19.432 12.196 3.645 84 HE ARG 10 HE ARG 10 -17.165 11.959 2.041 85 1HH1 ARG 10 1HH1 ARG 10 -19.121 14.468 3.466 86 2HH1 ARG 10 2HH1 ARG 10 -17.813 15.596 3.588 87 1HH2 ARG 10 1HH2 ARG 10 -15.438 13.439 2.199 88 2HH2 ARG 10 2HH2 ARG 10 -15.720 15.012 2.866 89 H ASP 11 H ASP 11 -20.720 7.252 1.021 90 HA ASP 11 HA ASP 11 -21.196 6.908 -1.181 91 1HB ASP 11 1HB ASP 11 -18.938 8.866 -1.577 92 2HB ASP 11 2HB ASP 11 -19.889 8.202 -2.901 93 H VAL 12 H VAL 12 -18.805 5.627 0.410 94 HA VAL 12 HA VAL 12 -17.227 4.543 -1.768 95 HB VAL 12 HB VAL 12 -17.149 4.090 1.212 96 1HG1 VAL 12 1HG1 VAL 12 -16.528 2.005 0.183 97 2HG1 VAL 12 2HG1 VAL 12 -15.079 2.800 0.794 98 3HG1 VAL 12 3HG1 VAL 12 -15.441 2.836 -0.931 99 1HG2 VAL 12 1HG2 VAL 12 -16.284 6.231 0.500 100 2HG2 VAL 12 2HG2 VAL 12 -15.264 5.450 -0.708 101 3HG2 VAL 12 3HG2 VAL 12 -14.952 5.192 1.008 102 H SER 13 H SER 13 -18.968 2.979 0.922 103 HA SER 13 HA SER 13 -20.326 1.162 1.018 104 1HB SER 13 1HB SER 13 -21.503 2.059 -0.943 105 2HB SER 13 2HB SER 13 -20.337 1.274 -2.008 106 HG SER 13 HG SER 13 -22.271 0.090 -0.325 107 H THR 14 H THR 14 -17.499 1.088 -1.022 108 HA THR 14 HA THR 14 -17.302 -1.790 -1.033 109 HB THR 14 HB THR 14 -15.102 -1.443 -2.078 110 HG1 THR 14 HG1 THR 14 -14.269 0.586 -2.327 111 1HG2 THR 14 1HG2 THR 14 -17.104 -1.434 -3.489 112 2HG2 THR 14 2HG2 THR 14 -15.866 -0.353 -4.126 113 3HG2 THR 14 3HG2 THR 14 -17.255 0.308 -3.264 114 H ALA 15 H ALA 15 -16.017 -3.064 0.240 115 HA ALA 15 HA ALA 15 -15.015 -1.803 2.676 116 1HB ALA 15 1HB ALA 15 -15.437 -4.721 2.064 117 2HB ALA 15 2HB ALA 15 -16.576 -3.670 2.905 118 3HB ALA 15 3HB ALA 15 -15.010 -4.034 3.631 119 H LEU 16 H LEU 16 -13.852 -4.561 0.710 120 HA LEU 16 HA LEU 16 -11.142 -3.978 1.554 121 1HB LEU 16 1HB LEU 16 -10.543 -6.080 0.746 122 2HB LEU 16 2HB LEU 16 -12.160 -6.302 1.385 123 HG LEU 16 HG LEU 16 -11.510 -5.943 -1.543 124 1HD1 LEU 16 1HD1 LEU 16 -11.943 -8.312 -1.767 125 2HD1 LEU 16 2HD1 LEU 16 -12.241 -8.449 -0.035 126 3HD1 LEU 16 3HD1 LEU 16 -10.627 -8.047 -0.623 127 1HD2 LEU 16 1HD2 LEU 16 -14.071 -6.707 -0.144 128 2HD2 LEU 16 2HD2 LEU 16 -13.821 -6.682 -1.889 129 3HD2 LEU 16 3HD2 LEU 16 -13.748 -5.181 -0.966 130 H SER 17 H SER 17 -13.103 -3.333 -1.204 131 HA SER 17 HA SER 17 -11.097 -3.235 -3.182 132 1HB SER 17 1HB SER 17 -13.527 -3.283 -3.668 133 2HB SER 17 2HB SER 17 -13.656 -1.632 -3.064 134 HG SER 17 HG SER 17 -11.910 -1.239 -4.731 135 H ARG 18 H ARG 18 -12.547 -0.587 -1.266 136 HA ARG 18 HA ARG 18 -10.206 0.821 -0.788 137 1HB ARG 18 1HB ARG 18 -10.042 1.109 -3.218 138 2HB ARG 18 2HB ARG 18 -11.652 1.812 -3.255 139 1HG ARG 18 1HG ARG 18 -10.844 3.674 -1.863 140 2HG ARG 18 2HG ARG 18 -9.223 2.977 -1.911 141 1HD ARG 18 1HD ARG 18 -9.454 4.751 -3.564 142 2HD ARG 18 2HD ARG 18 -9.204 3.191 -4.348 143 HE ARG 18 HE ARG 18 -11.954 4.100 -4.036 144 1HH1 ARG 18 1HH1 ARG 18 -9.182 3.691 -6.110 145 2HH1 ARG 18 2HH1 ARG 18 -10.095 3.848 -7.573 146 1HH2 ARG 18 1HH2 ARG 18 -13.160 4.306 -5.958 147 2HH2 ARG 18 2HH2 ARG 18 -12.355 4.196 -7.487 148 H MET 19 H MET 19 -10.900 1.712 1.061 149 HA MET 19 HA MET 19 -13.333 3.357 0.963 150 1HB MET 19 1HB MET 19 -13.452 2.468 3.507 151 2HB MET 19 2HB MET 19 -14.318 1.724 2.170 152 1HG MET 19 1HG MET 19 -13.259 0.006 3.426 153 2HG MET 19 2HG MET 19 -12.425 0.157 1.881 154 1HE MET 19 1HE MET 19 -10.705 -1.486 3.462 155 2HE MET 19 2HE MET 19 -9.182 -0.608 3.610 156 3HE MET 19 3HE MET 19 -10.067 -0.588 2.084 157 H GLY 20 H GLY 20 -10.273 2.667 2.591 158 1HA GLY 20 1HA GLY 20 -9.244 5.115 2.843 159 2HA GLY 20 2HA GLY 20 -10.453 5.135 4.115 160 H ASP 21 H ASP 21 -10.013 4.233 6.035 161 HA ASP 21 HA ASP 21 -7.626 2.549 6.276 162 1HB ASP 21 1HB ASP 21 -6.741 3.842 8.083 163 2HB ASP 21 2HB ASP 21 -7.084 4.959 6.764 164 H GLU 22 H GLU 22 -10.773 3.479 7.357 165 HA GLU 22 HA GLU 22 -10.868 2.153 9.825 166 1HB GLU 22 1HB GLU 22 -13.324 2.162 9.528 167 2HB GLU 22 2HB GLU 22 -12.591 3.728 9.208 168 1HG GLU 22 1HG GLU 22 -12.848 3.462 6.865 169 2HG GLU 22 2HG GLU 22 -13.301 1.768 7.043 170 H ALA 23 H ALA 23 -11.556 0.993 6.550 171 HA ALA 23 HA ALA 23 -11.922 -1.713 7.632 172 1HB ALA 23 1HB ALA 23 -12.822 -0.374 5.123 173 2HB ALA 23 2HB ALA 23 -13.751 -1.313 6.290 174 3HB ALA 23 3HB ALA 23 -12.661 -2.128 5.169 175 H PHE 24 H PHE 24 -9.337 -0.112 6.988 176 HA PHE 24 HA PHE 24 -8.026 -1.432 4.886 177 1HB PHE 24 1HB PHE 24 -7.322 0.688 6.172 178 2HB PHE 24 2HB PHE 24 -6.641 -0.417 7.361 179 HD1 PHE 24 HD1 PHE 24 -5.715 1.629 4.850 180 HD2 PHE 24 HD2 PHE 24 -5.309 -2.454 5.968 181 HE1 PHE 24 HE1 PHE 24 -3.670 1.465 3.516 182 HE2 PHE 24 HE2 PHE 24 -3.268 -2.623 4.628 183 HZ PHE 24 HZ PHE 24 -2.440 -0.663 3.396 184 H GLU 25 H GLU 25 -8.139 -2.072 8.368 185 HA GLU 25 HA GLU 25 -6.349 -4.084 8.676 186 1HB GLU 25 1HB GLU 25 -9.044 -3.683 9.913 187 2HB GLU 25 2HB GLU 25 -8.034 -5.052 10.331 188 1HG GLU 25 1HG GLU 25 -6.249 -3.521 11.016 189 2HG GLU 25 2HG GLU 25 -7.293 -2.155 10.622 190 HA PRO 26 HA PRO 26 -9.963 -7.410 7.411 191 1HB PRO 26 1HB PRO 26 -10.565 -5.632 5.067 192 2HB PRO 26 2HB PRO 26 -11.589 -6.853 5.835 193 1HG PRO 26 1HG PRO 26 -11.874 -4.231 6.365 194 2HG PRO 26 2HG PRO 26 -12.145 -5.476 7.596 195 1HD PRO 26 1HD PRO 26 -9.981 -3.506 7.393 196 2HD PRO 26 2HD PRO 26 -10.490 -4.473 8.784 197 H LEU 27 H LEU 27 -7.948 -5.312 5.467 198 HA LEU 27 HA LEU 27 -7.165 -7.238 3.521 199 1HB LEU 27 1HB LEU 27 -6.036 -4.610 4.452 200 2HB LEU 27 2HB LEU 27 -5.288 -5.544 3.164 201 HG LEU 27 HG LEU 27 -8.138 -4.550 3.063 202 1HD1 LEU 27 1HD1 LEU 27 -7.357 -2.776 1.624 203 2HD1 LEU 27 2HD1 LEU 27 -5.694 -3.342 1.776 204 3HD1 LEU 27 3HD1 LEU 27 -6.532 -2.680 3.179 205 1HD2 LEU 27 1HD2 LEU 27 -7.831 -4.975 0.629 206 2HD2 LEU 27 2HD2 LEU 27 -7.781 -6.431 1.621 207 3HD2 LEU 27 3HD2 LEU 27 -6.283 -5.734 1.002 208 H LEU 28 H LEU 28 -5.431 -5.742 6.236 209 HA LEU 28 HA LEU 28 -3.142 -7.310 6.204 210 1HB LEU 28 1HB LEU 28 -3.484 -5.213 7.500 211 2HB LEU 28 2HB LEU 28 -4.515 -6.093 8.608 212 HG LEU 28 HG LEU 28 -2.120 -5.619 9.347 213 1HD1 LEU 28 1HD1 LEU 28 -3.671 -7.252 10.409 214 2HD1 LEU 28 2HD1 LEU 28 -1.962 -7.648 10.580 215 3HD1 LEU 28 3HD1 LEU 28 -2.953 -8.510 9.405 216 1HD2 LEU 28 1HD2 LEU 28 -0.396 -7.127 8.592 217 2HD2 LEU 28 2HD2 LEU 28 -1.056 -6.249 7.212 218 3HD2 LEU 28 3HD2 LEU 28 -1.527 -7.924 7.500 219 H GLU 29 H GLU 29 -6.248 -7.860 7.774 220 HA GLU 29 HA GLU 29 -5.519 -10.084 9.309 221 1HB GLU 29 1HB GLU 29 -8.204 -9.334 8.152 222 2HB GLU 29 2HB GLU 29 -7.951 -10.575 9.372 223 1HG GLU 29 1HG GLU 29 -7.038 -8.868 10.887 224 2HG GLU 29 2HG GLU 29 -7.369 -7.638 9.669 225 H SER 30 H SER 30 -6.357 -9.756 5.945 226 HA SER 30 HA SER 30 -7.002 -12.443 5.403 227 1HB SER 30 1HB SER 30 -7.599 -10.735 3.814 228 2HB SER 30 2HB SER 30 -5.912 -10.272 3.603 229 HG SER 30 HG SER 30 -6.963 -12.829 2.969 230 H LEU 31 H LEU 31 -3.989 -10.909 6.020 231 HA LEU 31 HA LEU 31 -2.316 -12.703 4.582 232 1HB LEU 31 1HB LEU 31 -1.666 -11.024 7.004 233 2HB LEU 31 2HB LEU 31 -0.496 -11.805 5.959 234 HG LEU 31 HG LEU 31 -2.326 -9.517 5.237 235 1HD1 LEU 31 1HD1 LEU 31 -0.299 -8.260 4.978 236 2HD1 LEU 31 2HD1 LEU 31 0.680 -9.690 5.299 237 3HD1 LEU 31 3HD1 LEU 31 -0.309 -8.993 6.582 238 1HD2 LEU 31 1HD2 LEU 31 -2.195 -10.963 3.322 239 2HD2 LEU 31 2HD2 LEU 31 -0.447 -11.113 3.501 240 3HD2 LEU 31 3HD2 LEU 31 -1.156 -9.564 3.046 241 H SER 32 H SER 32 -4.199 -13.108 7.335 242 HA SER 32 HA SER 32 -2.494 -15.251 8.385 243 1HB SER 32 1HB SER 32 -4.927 -13.903 9.577 244 2HB SER 32 2HB SER 32 -4.030 -15.214 10.343 245 HG SER 32 HG SER 32 -2.295 -13.893 10.588 246 H ASN 33 H ASN 33 -4.442 -15.164 5.964 247 HA ASN 33 HA ASN 33 -6.242 -17.339 6.708 248 1HB ASN 33 1HB ASN 33 -6.003 -15.667 4.203 249 2HB ASN 33 2HB ASN 33 -7.108 -17.031 4.354 250 1HD2 ASN 33 1HD2 ASN 33 -7.647 -16.493 7.167 251 2HD2 ASN 33 2HD2 ASN 33 -8.689 -15.117 7.198 252 H GLU 34 H GLU 34 -6.108 -19.385 5.930 253 HA GLU 34 HA GLU 34 -3.587 -20.381 5.171 254 1HB GLU 34 1HB GLU 34 -6.296 -21.700 4.909 255 2HB GLU 34 2HB GLU 34 -4.743 -22.523 4.842 256 1HG GLU 34 1HG GLU 34 -5.513 -22.906 7.002 257 2HG GLU 34 2HG GLU 34 -4.346 -21.597 7.181 258 H ASP 35 H ASP 35 -6.098 -18.964 3.358 259 HA ASP 35 HA ASP 35 -5.532 -20.268 0.864 260 1HB ASP 35 1HB ASP 35 -7.121 -17.788 1.540 261 2HB ASP 35 2HB ASP 35 -6.986 -18.448 -0.088 262 H TRP 36 H TRP 36 -4.672 -19.231 -1.023 263 HA TRP 36 HA TRP 36 -2.610 -17.231 -0.365 264 1HB TRP 36 1HB TRP 36 -2.583 -19.099 -2.735 265 2HB TRP 36 2HB TRP 36 -1.245 -18.156 -2.087 266 HD1 TRP 36 HD1 TRP 36 -1.593 -19.016 0.984 267 HE1 TRP 36 HE1 TRP 36 -0.914 -21.399 1.690 268 HE3 TRP 36 HE3 TRP 36 -1.811 -21.315 -3.576 269 HZ2 TRP 36 HZ2 TRP 36 -0.521 -23.908 0.482 270 HZ3 TRP 36 HZ3 TRP 36 -1.269 -23.710 -3.714 271 HH2 TRP 36 HH2 TRP 36 -0.637 -24.977 -1.723 272 H ARG 37 H ARG 37 -5.035 -18.188 -2.724 273 HA ARG 37 HA ARG 37 -4.667 -16.142 -4.585 274 1HB ARG 37 1HB ARG 37 -6.037 -18.153 -4.980 275 2HB ARG 37 2HB ARG 37 -7.231 -17.558 -3.834 276 1HG ARG 37 1HG ARG 37 -7.778 -15.721 -5.252 277 2HG ARG 37 2HG ARG 37 -6.439 -16.096 -6.337 278 1HD ARG 37 1HD ARG 37 -7.488 -18.184 -6.968 279 2HD ARG 37 2HD ARG 37 -8.789 -17.911 -5.810 280 HE ARG 37 HE ARG 37 -8.832 -15.727 -7.466 281 1HH1 ARG 37 1HH1 ARG 37 -9.089 -19.178 -7.881 282 2HH1 ARG 37 2HH1 ARG 37 -10.121 -19.064 -9.268 283 1HH2 ARG 37 1HH2 ARG 37 -10.194 -15.568 -9.290 284 2HH2 ARG 37 2HH2 ARG 37 -10.749 -17.013 -10.068 285 H ILE 38 H ILE 38 -6.420 -16.217 -1.548 286 HA ILE 38 HA ILE 38 -7.640 -13.632 -1.965 287 HB ILE 38 HB ILE 38 -7.479 -15.248 0.581 288 1HG1 ILE 38 1HG1 ILE 38 -9.711 -15.141 -1.461 289 2HG1 ILE 38 2HG1 ILE 38 -8.560 -16.466 -1.312 290 1HG2 ILE 38 1HG2 ILE 38 -8.012 -12.904 0.956 291 2HG2 ILE 38 2HG2 ILE 38 -9.424 -13.915 1.261 292 3HG2 ILE 38 3HG2 ILE 38 -9.307 -12.992 -0.238 293 1HD1 ILE 38 1HD1 ILE 38 -10.673 -17.003 -0.246 294 2HD1 ILE 38 2HD1 ILE 38 -10.521 -15.588 0.796 295 3HD1 ILE 38 3HD1 ILE 38 -9.372 -16.918 0.941 296 H ARG 39 H ARG 39 -5.006 -14.969 -0.006 297 HA ARG 39 HA ARG 39 -4.369 -12.678 1.454 298 1HB ARG 39 1HB ARG 39 -3.469 -14.899 1.972 299 2HB ARG 39 2HB ARG 39 -2.518 -14.866 0.494 300 1HG ARG 39 1HG ARG 39 -1.338 -12.858 1.381 301 2HG ARG 39 2HG ARG 39 -2.201 -13.092 2.901 302 1HD ARG 39 1HD ARG 39 -0.440 -15.170 1.613 303 2HD ARG 39 2HD ARG 39 0.102 -14.051 2.863 304 HE ARG 39 HE ARG 39 -2.119 -15.294 3.899 305 1HH1 ARG 39 1HH1 ARG 39 0.988 -16.297 2.682 306 2HH1 ARG 39 2HH1 ARG 39 1.086 -17.688 3.708 307 1HH2 ARG 39 1HH2 ARG 39 -1.995 -17.124 5.258 308 2HH2 ARG 39 2HH2 ARG 39 -0.611 -18.161 5.170 309 H GLY 40 H GLY 40 -3.079 -13.804 -1.660 310 1HA GLY 40 1HA GLY 40 -1.195 -11.781 -2.050 311 2HA GLY 40 2HA GLY 40 -1.982 -12.684 -3.333 312 H ALA 41 H ALA 41 -4.496 -11.935 -3.385 313 HA ALA 41 HA ALA 41 -4.566 -9.499 -4.656 314 1HB ALA 41 1HB ALA 41 -7.008 -9.579 -4.382 315 2HB ALA 41 2HB ALA 41 -6.819 -10.873 -3.197 316 3HB ALA 41 3HB ALA 41 -6.340 -11.135 -4.874 317 H ALA 42 H ALA 42 -4.925 -10.191 -1.237 318 HA ALA 42 HA ALA 42 -5.935 -7.709 -0.399 319 1HB ALA 42 1HB ALA 42 -5.075 -8.326 1.824 320 2HB ALA 42 2HB ALA 42 -4.188 -9.664 1.093 321 3HB ALA 42 3HB ALA 42 -5.951 -9.649 1.055 322 H ALA 43 H ALA 43 -2.586 -8.886 -0.653 323 HA ALA 43 HA ALA 43 -1.455 -6.376 0.150 324 1HB ALA 43 1HB ALA 43 0.682 -7.428 -0.495 325 2HB ALA 43 2HB ALA 43 -0.227 -8.825 -1.071 326 3HB ALA 43 3HB ALA 43 -0.269 -8.390 0.637 327 H TRP 44 H TRP 44 -2.480 -7.785 -2.835 328 HA TRP 44 HA TRP 44 -0.909 -6.336 -4.649 329 1HB TRP 44 1HB TRP 44 -3.433 -7.860 -4.747 330 2HB TRP 44 2HB TRP 44 -3.254 -6.637 -5.998 331 HD1 TRP 44 HD1 TRP 44 -1.273 -9.659 -4.599 332 HE1 TRP 44 HE1 TRP 44 0.033 -10.721 -6.540 333 HE3 TRP 44 HE3 TRP 44 -2.488 -6.353 -8.306 334 HZ2 TRP 44 HZ2 TRP 44 0.496 -10.228 -9.277 335 HZ3 TRP 44 HZ3 TRP 44 -1.569 -6.723 -10.560 336 HH2 TRP 44 HH2 TRP 44 -0.108 -8.621 -11.033 337 H ILE 45 H ILE 45 -3.895 -5.541 -2.973 338 HA ILE 45 HA ILE 45 -3.974 -2.904 -4.249 339 HB ILE 45 HB ILE 45 -6.049 -4.070 -2.398 340 1HG1 ILE 45 1HG1 ILE 45 -5.781 -5.580 -4.307 341 2HG1 ILE 45 2HG1 ILE 45 -7.310 -4.713 -4.413 342 1HG2 ILE 45 1HG2 ILE 45 -6.117 -1.647 -2.709 343 2HG2 ILE 45 2HG2 ILE 45 -7.523 -2.429 -3.432 344 3HG2 ILE 45 3HG2 ILE 45 -6.198 -1.871 -4.456 345 1HD1 ILE 45 1HD1 ILE 45 -6.202 -4.897 -6.577 346 2HD1 ILE 45 2HD1 ILE 45 -4.806 -4.030 -5.937 347 3HD1 ILE 45 3HD1 ILE 45 -6.365 -3.216 -6.072 348 H ILE 46 H ILE 46 -3.091 -4.464 -1.345 349 HA ILE 46 HA ILE 46 -3.636 -2.646 0.642 350 HB ILE 46 HB ILE 46 -2.365 -4.968 0.657 351 1HG1 ILE 46 1HG1 ILE 46 -1.393 -3.294 2.865 352 2HG1 ILE 46 2HG1 ILE 46 -3.115 -3.117 2.523 353 1HG2 ILE 46 1HG2 ILE 46 -0.025 -4.808 1.130 354 2HG2 ILE 46 2HG2 ILE 46 -0.077 -3.047 1.034 355 3HG2 ILE 46 3HG2 ILE 46 -0.331 -4.016 -0.417 356 1HD1 ILE 46 1HD1 ILE 46 -1.681 -5.695 3.118 357 2HD1 ILE 46 2HD1 ILE 46 -3.398 -5.535 2.748 358 3HD1 ILE 46 3HD1 ILE 46 -2.740 -4.806 4.213 359 H GLY 47 H GLY 47 -0.854 -2.584 -1.595 360 1HA GLY 47 1HA GLY 47 0.331 -0.290 -0.374 361 2HA GLY 47 2HA GLY 47 0.754 -0.967 -1.938 362 H ASN 48 H ASN 48 -2.314 -0.642 -2.480 363 HA ASN 48 HA ASN 48 -2.047 1.784 -3.939 364 1HB ASN 48 1HB ASN 48 -4.594 0.270 -3.342 365 2HB ASN 48 2HB ASN 48 -4.319 1.402 -4.662 366 1HD2 ASN 48 1HD2 ASN 48 -4.867 -0.130 -6.204 367 2HD2 ASN 48 2HD2 ASN 48 -3.821 -1.445 -6.610 368 H PHE 49 H PHE 49 -2.768 1.208 -0.693 369 HA PHE 49 HA PHE 49 -4.488 3.543 -0.412 370 1HB PHE 49 1HB PHE 49 -3.532 1.450 1.532 371 2HB PHE 49 2HB PHE 49 -4.456 2.863 2.030 372 HD1 PHE 49 HD1 PHE 49 -4.622 0.075 -0.447 373 HD2 PHE 49 HD2 PHE 49 -6.734 2.669 2.183 374 HE1 PHE 49 HE1 PHE 49 -6.713 -1.122 -0.951 375 HE2 PHE 49 HE2 PHE 49 -8.827 1.480 1.683 376 HZ PHE 49 HZ PHE 49 -8.819 -0.419 0.116 377 H GLN 50 H GLN 50 -1.169 2.630 0.065 378 HA GLN 50 HA GLN 50 0.675 3.807 0.686 379 1HB GLN 50 1HB GLN 50 -1.194 5.837 -0.316 380 2HB GLN 50 2HB GLN 50 0.019 6.469 0.786 381 1HG GLN 50 1HG GLN 50 1.676 6.220 -0.688 382 2HG GLN 50 2HG GLN 50 1.073 4.664 -1.254 383 1HE2 GLN 50 1HE2 GLN 50 -0.429 4.607 -2.932 384 2HE2 GLN 50 2HE2 GLN 50 -0.700 5.962 -3.967 385 H ASP 51 H ASP 51 -0.540 2.675 2.759 386 HA ASP 51 HA ASP 51 -0.358 4.709 4.883 387 1HB ASP 51 1HB ASP 51 -2.711 3.913 4.483 388 2HB ASP 51 2HB ASP 51 -2.183 2.300 4.953 389 H GLU 52 H GLU 52 0.010 3.609 7.085 390 HA GLU 52 HA GLU 52 2.453 2.222 6.998 391 1HB GLU 52 1HB GLU 52 0.476 2.572 9.256 392 2HB GLU 52 2HB GLU 52 2.094 1.911 9.452 393 1HG GLU 52 1HG GLU 52 3.062 4.006 8.695 394 2HG GLU 52 2HG GLU 52 1.450 4.672 8.442 395 H ARG 53 H ARG 53 -0.865 1.142 7.379 396 HA ARG 53 HA ARG 53 -0.318 -1.546 8.072 397 1HB ARG 53 1HB ARG 53 -2.709 -0.231 6.788 398 2HB ARG 53 2HB ARG 53 -2.672 -1.934 7.218 399 1HG ARG 53 1HG ARG 53 -1.978 0.008 9.335 400 2HG ARG 53 2HG ARG 53 -3.659 -0.069 8.812 401 1HD ARG 53 1HD ARG 53 -3.633 -2.509 9.213 402 2HD ARG 53 2HD ARG 53 -1.982 -2.366 9.817 403 HE ARG 53 HE ARG 53 -3.686 -0.609 11.225 404 1HH1 ARG 53 1HH1 ARG 53 -2.932 -4.000 10.912 405 2HH1 ARG 53 2HH1 ARG 53 -3.415 -4.386 12.530 406 1HH2 ARG 53 1HH2 ARG 53 -4.322 -1.111 13.351 407 2HH2 ARG 53 2HH2 ARG 53 -4.205 -2.744 13.915 408 H ALA 54 H ALA 54 0.244 0.129 5.250 409 HA ALA 54 HA ALA 54 -0.080 -2.220 3.513 410 1HB ALA 54 1HB ALA 54 -1.035 -0.000 2.819 411 2HB ALA 54 2HB ALA 54 0.067 -0.734 1.656 412 3HB ALA 54 3HB ALA 54 0.619 0.590 2.682 413 H VAL 55 H VAL 55 2.140 -1.072 5.514 414 HA VAL 55 HA VAL 55 4.449 -1.271 3.760 415 HB VAL 55 HB VAL 55 4.327 -0.701 6.721 416 1HG1 VAL 55 1HG1 VAL 55 6.607 0.150 6.395 417 2HG1 VAL 55 2HG1 VAL 55 6.560 -0.415 4.725 418 3HG1 VAL 55 3HG1 VAL 55 6.478 -1.574 6.051 419 1HG2 VAL 55 1HG2 VAL 55 4.520 1.161 4.357 420 2HG2 VAL 55 2HG2 VAL 55 4.739 1.642 6.038 421 3HG2 VAL 55 3HG2 VAL 55 3.177 1.030 5.493 422 H GLU 56 H GLU 56 3.300 -2.829 6.764 423 HA GLU 56 HA GLU 56 5.357 -4.727 6.910 424 1HB GLU 56 1HB GLU 56 3.776 -4.120 8.760 425 2HB GLU 56 2HB GLU 56 2.560 -5.111 7.966 426 1HG GLU 56 1HG GLU 56 4.372 -6.967 8.080 427 2HG GLU 56 2HG GLU 56 5.082 -5.938 9.325 428 HA PRO 57 HA PRO 57 2.019 -7.809 4.823 429 1HB PRO 57 1HB PRO 57 1.128 -5.708 2.888 430 2HB PRO 57 2HB PRO 57 0.242 -7.102 3.521 431 1HG PRO 57 1HG PRO 57 -0.232 -4.669 4.469 432 2HG PRO 57 2HG PRO 57 -0.188 -6.070 5.556 433 1HD PRO 57 1HD PRO 57 1.816 -3.902 5.175 434 2HD PRO 57 2HD PRO 57 1.406 -4.819 6.636 435 H LEU 58 H LEU 58 3.644 -5.154 3.128 436 HA LEU 58 HA LEU 58 4.354 -6.641 0.840 437 1HB LEU 58 1HB LEU 58 5.829 -4.274 1.983 438 2HB LEU 58 2HB LEU 58 5.868 -4.838 0.325 439 HG LEU 58 HG LEU 58 3.507 -3.596 1.731 440 1HD1 LEU 58 1HD1 LEU 58 5.099 -2.568 -0.603 441 2HD1 LEU 58 2HD1 LEU 58 5.368 -2.074 1.068 442 3HD1 LEU 58 3HD1 LEU 58 3.825 -1.732 0.285 443 1HD2 LEU 58 1HD2 LEU 58 2.754 -5.306 0.184 444 2HD2 LEU 58 2HD2 LEU 58 3.760 -4.618 -1.091 445 3HD2 LEU 58 3HD2 LEU 58 2.396 -3.699 -0.451 446 H ILE 59 H ILE 59 6.007 -6.038 3.897 447 HA ILE 59 HA ILE 59 8.520 -7.023 3.332 448 HB ILE 59 HB ILE 59 6.996 -7.327 5.916 449 1HG1 ILE 59 1HG1 ILE 59 7.156 -4.998 5.115 450 2HG1 ILE 59 2HG1 ILE 59 8.096 -5.252 6.581 451 1HG2 ILE 59 1HG2 ILE 59 9.238 -7.430 6.955 452 2HG2 ILE 59 2HG2 ILE 59 9.950 -7.494 5.344 453 3HG2 ILE 59 3HG2 ILE 59 8.903 -8.800 5.896 454 1HD1 ILE 59 1HD1 ILE 59 9.206 -5.150 3.783 455 2HD1 ILE 59 2HD1 ILE 59 10.139 -5.357 5.265 456 3HD1 ILE 59 3HD1 ILE 59 9.272 -3.849 4.972 457 H LYS 60 H LYS 60 5.791 -8.867 4.674 458 HA LYS 60 HA LYS 60 7.141 -11.366 4.592 459 1HB LYS 60 1HB LYS 60 4.960 -10.462 5.874 460 2HB LYS 60 2HB LYS 60 4.176 -11.303 4.544 461 1HG LYS 60 1HG LYS 60 4.332 -12.793 6.400 462 2HG LYS 60 2HG LYS 60 5.448 -13.344 5.151 463 1HD LYS 60 1HD LYS 60 6.501 -13.489 7.333 464 2HD LYS 60 2HD LYS 60 7.302 -12.258 6.355 465 1HE LYS 60 1HE LYS 60 6.985 -11.489 8.649 466 2HE LYS 60 2HE LYS 60 6.050 -10.511 7.519 467 1HZ LYS 60 1HZ LYS 60 4.987 -12.707 9.214 468 2HZ LYS 60 2HZ LYS 60 4.082 -11.798 8.112 469 3HZ LYS 60 3HZ LYS 60 4.754 -11.051 9.471 470 H LEU 61 H LEU 61 4.838 -9.787 2.427 471 HA LEU 61 HA LEU 61 4.348 -11.986 0.730 472 1HB LEU 61 1HB LEU 61 3.412 -9.412 0.986 473 2HB LEU 61 2HB LEU 61 4.247 -9.368 -0.552 474 HG LEU 61 HG LEU 61 2.837 -11.580 -0.954 475 1HD1 LEU 61 1HD1 LEU 61 1.126 -9.977 0.936 476 2HD1 LEU 61 2HD1 LEU 61 1.823 -11.563 1.270 477 3HD1 LEU 61 3HD1 LEU 61 0.612 -11.382 0.001 478 1HD2 LEU 61 1HD2 LEU 61 1.969 -8.726 -1.264 479 2HD2 LEU 61 2HD2 LEU 61 1.081 -10.078 -1.964 480 3HD2 LEU 61 3HD2 LEU 61 2.745 -9.766 -2.453 481 H LEU 62 H LEU 62 6.850 -9.481 0.600 482 HA LEU 62 HA LEU 62 7.734 -9.970 -2.017 483 1HB LEU 62 1HB LEU 62 9.220 -8.968 0.411 484 2HB LEU 62 2HB LEU 62 9.907 -9.000 -1.202 485 HG LEU 62 HG LEU 62 7.339 -7.546 -0.646 486 1HD1 LEU 62 1HD1 LEU 62 9.052 -6.721 0.928 487 2HD1 LEU 62 2HD1 LEU 62 8.594 -5.515 -0.272 488 3HD1 LEU 62 3HD1 LEU 62 10.116 -6.387 -0.436 489 1HD2 LEU 62 1HD2 LEU 62 7.943 -6.297 -2.617 490 2HD2 LEU 62 2HD2 LEU 62 8.001 -8.022 -2.980 491 3HD2 LEU 62 3HD2 LEU 62 9.497 -7.126 -2.711 492 H GLU 63 H GLU 63 7.842 -11.872 0.740 493 HA GLU 63 HA GLU 63 9.964 -13.572 -0.376 494 1HB GLU 63 1HB GLU 63 9.015 -13.097 2.436 495 2HB GLU 63 2HB GLU 63 9.902 -14.553 2.016 496 1HG GLU 63 1HG GLU 63 10.872 -11.724 1.691 497 2HG GLU 63 2HG GLU 63 11.383 -12.869 2.930 498 H ASP 64 H ASP 64 6.648 -13.270 0.133 499 HA ASP 64 HA ASP 64 5.854 -15.918 0.637 500 1HB ASP 64 1HB ASP 64 4.546 -13.463 -0.382 501 2HB ASP 64 2HB ASP 64 3.761 -14.985 -0.790 502 H ASP 65 H ASP 65 6.932 -17.385 -0.589 503 HA ASP 65 HA ASP 65 7.200 -17.161 -3.428 504 1HB ASP 65 1HB ASP 65 7.661 -19.520 -1.597 505 2HB ASP 65 2HB ASP 65 8.123 -19.452 -3.294 506 H SER 66 H SER 66 4.443 -17.049 -2.536 507 HA SER 66 HA SER 66 3.216 -19.565 -3.211 508 1HB SER 66 1HB SER 66 2.230 -17.863 -1.611 509 2HB SER 66 2HB SER 66 1.873 -16.864 -3.016 510 HG SER 66 HG SER 66 0.704 -19.247 -2.179 511 H GLY 67 H GLY 67 4.146 -16.658 -4.848 512 1HA GLY 67 1HA GLY 67 4.504 -17.070 -7.298 513 2HA GLY 67 2HA GLY 67 2.826 -17.604 -7.320 514 H PHE 68 H PHE 68 1.306 -16.096 -7.807 515 HA PHE 68 HA PHE 68 1.993 -13.515 -8.596 516 1HB PHE 68 1HB PHE 68 -0.252 -13.143 -8.990 517 2HB PHE 68 2HB PHE 68 -0.228 -14.900 -8.952 518 HD1 PHE 68 HD1 PHE 68 -1.183 -16.115 -7.066 519 HD2 PHE 68 HD2 PHE 68 -1.330 -11.856 -7.252 520 HE1 PHE 68 HE1 PHE 68 -2.910 -16.097 -5.319 521 HE2 PHE 68 HE2 PHE 68 -3.057 -11.840 -5.506 522 HZ PHE 68 HZ PHE 68 -3.849 -13.959 -4.537 523 H VAL 69 H VAL 69 1.357 -14.859 -5.508 524 HA VAL 69 HA VAL 69 0.787 -12.515 -4.056 525 HB VAL 69 HB VAL 69 2.163 -15.007 -3.049 526 1HG1 VAL 69 1HG1 VAL 69 1.095 -14.352 -0.895 527 2HG1 VAL 69 2HG1 VAL 69 0.632 -12.825 -1.644 528 3HG1 VAL 69 3HG1 VAL 69 2.338 -13.232 -1.452 529 1HG2 VAL 69 1HG2 VAL 69 0.081 -15.563 -4.193 530 2HG2 VAL 69 2HG2 VAL 69 -0.782 -14.372 -3.217 531 3HG2 VAL 69 3HG2 VAL 69 -0.076 -15.796 -2.451 532 H ARG 70 H ARG 70 3.840 -14.245 -4.684 533 HA ARG 70 HA ARG 70 5.533 -12.628 -3.211 534 1HB ARG 70 1HB ARG 70 5.897 -14.775 -4.823 535 2HB ARG 70 2HB ARG 70 6.606 -13.502 -5.811 536 1HG ARG 70 1HG ARG 70 7.773 -12.920 -3.485 537 2HG ARG 70 2HG ARG 70 7.514 -14.649 -3.244 538 1HD ARG 70 1HD ARG 70 9.072 -13.282 -5.416 539 2HD ARG 70 2HD ARG 70 9.659 -14.425 -4.210 540 HE ARG 70 HE ARG 70 7.689 -15.685 -5.753 541 1HH1 ARG 70 1HH1 ARG 70 10.934 -14.451 -6.059 542 2HH1 ARG 70 2HH1 ARG 70 11.371 -15.554 -7.321 543 1HH2 ARG 70 1HH2 ARG 70 8.256 -17.138 -7.414 544 2HH2 ARG 70 2HH2 ARG 70 9.848 -17.080 -8.093 545 H SER 71 H SER 71 4.726 -12.340 -6.661 546 HA SER 71 HA SER 71 6.075 -9.883 -7.048 547 1HB SER 71 1HB SER 71 4.850 -9.788 -9.186 548 2HB SER 71 2HB SER 71 5.560 -11.379 -8.917 549 HG SER 71 HG SER 71 3.581 -11.993 -9.354 550 H GLY 72 H GLY 72 3.105 -10.649 -5.566 551 1HA GLY 72 1HA GLY 72 1.461 -8.499 -6.142 552 2HA GLY 72 2HA GLY 72 1.499 -9.323 -4.591 553 H ALA 73 H ALA 73 3.414 -8.656 -3.177 554 HA ALA 73 HA ALA 73 3.222 -5.948 -2.561 555 1HB ALA 73 1HB ALA 73 5.168 -6.340 -1.090 556 2HB ALA 73 2HB ALA 73 5.373 -7.926 -1.833 557 3HB ALA 73 3HB ALA 73 3.911 -7.565 -0.916 558 H ALA 74 H ALA 74 5.545 -7.687 -4.558 559 HA ALA 74 HA ALA 74 7.605 -5.927 -4.818 560 1HB ALA 74 1HB ALA 74 7.544 -8.100 -5.918 561 2HB ALA 74 2HB ALA 74 7.973 -6.822 -7.056 562 3HB ALA 74 3HB ALA 74 6.343 -7.497 -7.059 563 H ARG 75 H ARG 75 4.695 -5.905 -6.893 564 HA ARG 75 HA ARG 75 5.394 -3.447 -8.137 565 1HB ARG 75 1HB ARG 75 2.851 -3.535 -8.773 566 2HB ARG 75 2HB ARG 75 3.987 -4.671 -9.487 567 1HG ARG 75 1HG ARG 75 2.948 -6.420 -8.592 568 2HG ARG 75 2HG ARG 75 2.861 -5.656 -7.007 569 1HD ARG 75 1HD ARG 75 0.642 -6.177 -8.019 570 2HD ARG 75 2HD ARG 75 0.870 -4.479 -7.599 571 HE ARG 75 HE ARG 75 1.537 -5.096 -10.327 572 1HH1 ARG 75 1HH1 ARG 75 -1.031 -4.249 -8.129 573 2HH1 ARG 75 2HH1 ARG 75 -2.035 -3.562 -9.361 574 1HH2 ARG 75 1HH2 ARG 75 0.220 -4.192 -11.958 575 2HH2 ARG 75 2HH2 ARG 75 -1.324 -3.530 -11.537 576 H SER 76 H SER 76 3.666 -4.265 -5.232 577 HA SER 76 HA SER 76 2.222 -1.867 -4.905 578 1HB SER 76 1HB SER 76 3.273 -3.774 -2.804 579 2HB SER 76 2HB SER 76 2.061 -2.523 -2.530 580 HG SER 76 HG SER 76 0.604 -3.768 -3.394 581 H LEU 77 H LEU 77 5.485 -2.815 -3.945 582 HA LEU 77 HA LEU 77 6.108 -0.567 -2.387 583 1HB LEU 77 1HB LEU 77 7.701 -2.583 -3.894 584 2HB LEU 77 2HB LEU 77 8.521 -1.139 -3.339 585 HG LEU 77 HG LEU 77 7.445 -1.777 -1.029 586 1HD1 LEU 77 1HD1 LEU 77 7.510 -4.414 -2.479 587 2HD1 LEU 77 2HD1 LEU 77 6.087 -3.601 -1.830 588 3HD1 LEU 77 3HD1 LEU 77 7.327 -4.214 -0.736 589 1HD2 LEU 77 1HD2 LEU 77 9.460 -3.034 -0.483 590 2HD2 LEU 77 2HD2 LEU 77 9.834 -1.637 -1.493 591 3HD2 LEU 77 3HD2 LEU 77 9.797 -3.252 -2.201 592 H GLU 78 H GLU 78 7.077 -1.206 -5.756 593 HA GLU 78 HA GLU 78 8.019 1.341 -6.353 594 1HB GLU 78 1HB GLU 78 6.656 -0.562 -8.266 595 2HB GLU 78 2HB GLU 78 7.776 0.724 -8.691 596 1HG GLU 78 1HG GLU 78 9.594 -0.419 -7.658 597 2HG GLU 78 2HG GLU 78 8.511 -1.624 -6.965 598 H GLN 79 H GLN 79 4.820 0.227 -5.920 599 HA GLN 79 HA GLN 79 3.424 2.109 -7.521 600 1HB GLN 79 1HB GLN 79 2.690 -0.110 -6.211 601 2HB GLN 79 2HB GLN 79 2.200 1.078 -5.015 602 1HG GLN 79 1HG GLN 79 0.729 2.136 -6.590 603 2HG GLN 79 2HG GLN 79 1.309 1.093 -7.889 604 1HE2 GLN 79 1HE2 GLN 79 1.446 -1.238 -6.133 605 2HE2 GLN 79 2HE2 GLN 79 -0.180 -1.765 -5.897 606 H ILE 80 H ILE 80 3.950 1.965 -4.003 607 HA ILE 80 HA ILE 80 2.945 4.541 -3.459 608 HB ILE 80 HB ILE 80 4.891 2.860 -1.875 609 1HG1 ILE 80 1HG1 ILE 80 1.897 3.196 -1.582 610 2HG1 ILE 80 2HG1 ILE 80 2.687 1.806 -2.316 611 1HG2 ILE 80 1HG2 ILE 80 5.078 5.122 -1.130 612 2HG2 ILE 80 2HG2 ILE 80 4.106 4.247 0.053 613 3HG2 ILE 80 3HG2 ILE 80 3.326 5.318 -1.108 614 1HD1 ILE 80 1HD1 ILE 80 2.985 2.691 0.544 615 2HD1 ILE 80 2HD1 ILE 80 3.762 1.291 -0.193 616 3HD1 ILE 80 3HD1 ILE 80 2.007 1.342 -0.032 617 H GLY 81 H GLY 81 6.336 3.412 -3.405 618 1HA GLY 81 1HA GLY 81 8.294 4.501 -3.915 619 2HA GLY 81 2HA GLY 81 7.330 5.630 -4.856 620 H GLY 82 H GLY 82 9.097 5.128 -1.974 621 1HA GLY 82 1HA GLY 82 9.287 7.830 -1.330 622 2HA GLY 82 2HA GLY 82 7.976 7.172 -0.361 623 H GLU 83 H GLU 83 9.662 8.036 1.262 624 HA GLU 83 HA GLU 83 12.008 6.514 1.739 625 1HB GLU 83 1HB GLU 83 11.671 8.819 2.578 626 2HB GLU 83 2HB GLU 83 10.431 8.222 3.672 627 1HG GLU 83 1HG GLU 83 12.095 6.841 4.809 628 2HG GLU 83 2HG GLU 83 13.337 7.441 3.710 629 H ARG 84 H ARG 84 8.702 6.317 2.900 630 HA ARG 84 HA ARG 84 9.071 4.468 4.961 631 1HB ARG 84 1HB ARG 84 6.699 4.043 4.823 632 2HB ARG 84 2HB ARG 84 6.981 5.758 4.573 633 1HG ARG 84 1HG ARG 84 6.565 3.806 2.321 634 2HG ARG 84 2HG ARG 84 5.258 4.709 3.083 635 1HD ARG 84 1HD ARG 84 7.644 5.864 1.642 636 2HD ARG 84 2HD ARG 84 5.980 5.830 1.060 637 HE ARG 84 HE ARG 84 6.581 7.246 3.553 638 1HH1 ARG 84 1HH1 ARG 84 5.659 7.329 0.193 639 2HH1 ARG 84 2HH1 ARG 84 5.080 8.960 0.260 640 1HH2 ARG 84 1HH2 ARG 84 5.820 9.392 3.650 641 2HH2 ARG 84 2HH2 ARG 84 5.169 10.133 2.226 642 H VAL 85 H VAL 85 8.357 3.983 1.531 643 HA VAL 85 HA VAL 85 8.304 1.144 1.663 644 HB VAL 85 HB VAL 85 8.843 2.837 -0.773 645 1HG1 VAL 85 1HG1 VAL 85 7.642 0.092 -0.463 646 2HG1 VAL 85 2HG1 VAL 85 9.251 0.462 -1.084 647 3HG1 VAL 85 3HG1 VAL 85 7.820 0.974 -1.979 648 1HG2 VAL 85 1HG2 VAL 85 6.178 1.985 0.346 649 2HG2 VAL 85 2HG2 VAL 85 6.452 2.904 -1.134 650 3HG2 VAL 85 3HG2 VAL 85 6.841 3.616 0.431 651 H ARG 86 H ARG 86 10.823 3.501 1.363 652 HA ARG 86 HA ARG 86 12.816 1.996 0.104 653 1HB ARG 86 1HB ARG 86 12.883 4.463 0.663 654 2HB ARG 86 2HB ARG 86 13.285 4.002 2.311 655 1HG ARG 86 1HG ARG 86 15.310 2.900 1.520 656 2HG ARG 86 2HG ARG 86 14.902 3.339 -0.141 657 1HD ARG 86 1HD ARG 86 15.499 5.228 2.134 658 2HD ARG 86 2HD ARG 86 16.531 4.893 0.744 659 HE ARG 86 HE ARG 86 14.043 5.796 -0.178 660 1HH1 ARG 86 1HH1 ARG 86 16.841 6.978 1.530 661 2HH1 ARG 86 2HH1 ARG 86 16.654 8.607 0.971 662 1HH2 ARG 86 1HH2 ARG 86 13.788 7.935 -0.919 663 2HH2 ARG 86 2HH2 ARG 86 14.917 9.151 -0.422 664 H ALA 87 H ALA 87 11.713 2.049 3.432 665 HA ALA 87 HA ALA 87 13.848 0.393 4.409 666 1HB ALA 87 1HB ALA 87 12.626 0.388 6.504 667 2HB ALA 87 2HB ALA 87 11.215 1.086 5.709 668 3HB ALA 87 3HB ALA 87 12.701 2.025 5.853 669 H ALA 88 H ALA 88 10.811 -0.076 2.887 670 HA ALA 88 HA ALA 88 10.270 -2.702 3.855 671 1HB ALA 88 1HB ALA 88 9.281 -1.340 1.348 672 2HB ALA 88 2HB ALA 88 8.506 -1.274 2.931 673 3HB ALA 88 3HB ALA 88 8.613 -2.807 2.065 674 H MET 89 H MET 89 11.862 -1.367 0.992 675 HA MET 89 HA MET 89 12.356 -3.904 -0.202 676 1HB MET 89 1HB MET 89 13.349 -2.736 -1.916 677 2HB MET 89 2HB MET 89 12.314 -1.492 -1.244 678 1HG MET 89 1HG MET 89 14.290 -0.376 -1.548 679 2HG MET 89 2HG MET 89 14.396 -0.849 0.146 680 1HE MET 89 1HE MET 89 16.952 0.104 -1.266 681 2HE MET 89 2HE MET 89 18.122 -1.157 -0.881 682 3HE MET 89 3HE MET 89 16.994 -0.595 0.351 683 H GLU 90 H GLU 90 14.111 -1.789 1.981 684 HA GLU 90 HA GLU 90 16.627 -3.017 1.861 685 1HB GLU 90 1HB GLU 90 15.225 -1.510 4.065 686 2HB GLU 90 2HB GLU 90 16.863 -2.122 4.244 687 1HG GLU 90 1HG GLU 90 17.627 -0.753 2.423 688 2HG GLU 90 2HG GLU 90 15.982 -0.219 2.088 689 H LYS 91 H LYS 91 13.818 -3.661 3.925 690 HA LYS 91 HA LYS 91 15.001 -5.693 5.475 691 1HB LYS 91 1HB LYS 91 12.675 -4.401 5.648 692 2HB LYS 91 2HB LYS 91 12.094 -5.849 4.839 693 1HG LYS 91 1HG LYS 91 13.733 -5.969 7.351 694 2HG LYS 91 2HG LYS 91 11.976 -5.807 7.372 695 1HD LYS 91 1HD LYS 91 11.799 -7.882 6.048 696 2HD LYS 91 2HD LYS 91 13.553 -8.049 6.113 697 1HE LYS 91 1HE LYS 91 12.445 -9.446 7.791 698 2HE LYS 91 2HE LYS 91 13.474 -8.222 8.532 699 1HZ LYS 91 1HZ LYS 91 11.539 -6.893 9.004 700 2HZ LYS 91 2HZ LYS 91 11.317 -8.443 9.643 701 3HZ LYS 91 3HZ LYS 91 10.529 -7.998 8.213 702 H LEU 92 H LEU 92 13.513 -5.756 2.288 703 HA LEU 92 HA LEU 92 13.488 -8.642 2.210 704 1HB LEU 92 1HB LEU 92 11.774 -7.968 0.901 705 2HB LEU 92 2HB LEU 92 12.510 -6.418 0.553 706 HG LEU 92 HG LEU 92 14.031 -7.644 -1.054 707 1HD1 LEU 92 1HD1 LEU 92 13.754 -9.902 -0.295 708 2HD1 LEU 92 2HD1 LEU 92 13.096 -9.785 -1.927 709 3HD1 LEU 92 3HD1 LEU 92 12.010 -9.821 -0.538 710 1HD2 LEU 92 1HD2 LEU 92 12.018 -6.266 -1.648 711 2HD2 LEU 92 2HD2 LEU 92 11.097 -7.767 -1.717 712 3HD2 LEU 92 3HD2 LEU 92 12.443 -7.507 -2.824 713 H ALA 93 H ALA 93 15.565 -6.015 1.370 714 HA ALA 93 HA ALA 93 17.228 -7.352 -0.494 715 1HB ALA 93 1HB ALA 93 17.908 -5.040 1.324 716 2HB ALA 93 2HB ALA 93 17.161 -4.904 -0.267 717 3HB ALA 93 3HB ALA 93 18.800 -5.536 -0.114 718 H GLU 94 H GLU 94 16.867 -7.544 2.893 719 HA GLU 94 HA GLU 94 19.513 -8.529 3.472 720 1HB GLU 94 1HB GLU 94 18.219 -7.322 5.178 721 2HB GLU 94 2HB GLU 94 16.972 -8.561 5.119 722 1HG GLU 94 1HG GLU 94 18.573 -10.210 5.949 723 2HG GLU 94 2HG GLU 94 19.816 -8.962 6.020 724 H THR 95 H THR 95 16.384 -9.801 2.665 725 HA THR 95 HA THR 95 17.441 -12.554 2.838 726 HB THR 95 HB THR 95 15.003 -13.241 2.876 727 HG1 THR 95 HG1 THR 95 13.966 -11.061 3.933 728 1HG2 THR 95 1HG2 THR 95 14.707 -12.776 5.263 729 2HG2 THR 95 2HG2 THR 95 15.968 -11.545 5.184 730 3HG2 THR 95 3HG2 THR 95 16.372 -13.239 4.911 731 H GLY 96 H GLY 96 17.575 -10.444 0.714 732 1HA GLY 96 1HA GLY 96 15.846 -10.895 -1.401 733 2HA GLY 96 2HA GLY 96 17.501 -10.334 -1.561 734 H THR 97 H THR 97 15.397 -12.635 -2.498 735 HA THR 97 HA THR 97 17.573 -14.368 -3.395 736 HB THR 97 HB THR 97 15.060 -15.495 -2.146 737 HG1 THR 97 HG1 THR 97 17.132 -16.238 -0.751 738 1HG2 THR 97 1HG2 THR 97 16.059 -16.895 -3.902 739 2HG2 THR 97 2HG2 THR 97 16.233 -17.635 -2.311 740 3HG2 THR 97 3HG2 THR 97 17.609 -16.831 -3.064 741 H GLY 98 H GLY 98 17.367 -14.867 -5.490 742 1HA GLY 98 1HA GLY 98 16.489 -15.035 -7.604 743 2HA GLY 98 2HA GLY 98 15.005 -15.550 -6.820 744 H PHE 99 H PHE 99 13.468 -14.470 -7.899 745 HA PHE 99 HA PHE 99 13.692 -11.896 -8.986 746 1HB PHE 99 1HB PHE 99 11.975 -13.338 -9.808 747 2HB PHE 99 2HB PHE 99 11.299 -13.562 -8.200 748 HD1 PHE 99 HD1 PHE 99 9.643 -12.118 -7.368 749 HD2 PHE 99 HD2 PHE 99 11.762 -11.092 -10.916 750 HE1 PHE 99 HE1 PHE 99 8.056 -10.287 -7.782 751 HE2 PHE 99 HE2 PHE 99 10.178 -9.254 -11.333 752 HZ PHE 99 HZ PHE 99 8.322 -8.851 -9.764 753 H ALA 100 H ALA 100 12.575 -13.022 -5.856 754 HA ALA 100 HA ALA 100 11.350 -10.787 -4.830 755 1HB ALA 100 1HB ALA 100 11.910 -11.639 -2.633 756 2HB ALA 100 2HB ALA 100 13.164 -12.667 -3.326 757 3HB ALA 100 3HB ALA 100 11.469 -12.968 -3.704 758 H ARG 101 H ARG 101 14.822 -11.475 -4.971 759 HA ARG 101 HA ARG 101 15.625 -9.215 -3.456 760 1HB ARG 101 1HB ARG 101 17.027 -11.223 -3.825 761 2HB ARG 101 2HB ARG 101 17.189 -10.757 -5.510 762 1HG ARG 101 1HG ARG 101 18.637 -9.063 -5.058 763 2HG ARG 101 2HG ARG 101 17.957 -8.764 -3.457 764 1HD ARG 101 1HD ARG 101 19.027 -10.726 -2.579 765 2HD ARG 101 2HD ARG 101 19.595 -11.187 -4.185 766 HE ARG 101 HE ARG 101 20.533 -8.606 -3.464 767 1HH1 ARG 101 1HH1 ARG 101 21.066 -12.004 -2.900 768 2HH1 ARG 101 2HH1 ARG 101 22.737 -11.803 -2.492 769 1HH2 ARG 101 1HH2 ARG 101 22.729 -8.335 -2.933 770 2HH2 ARG 101 2HH2 ARG 101 23.683 -9.719 -2.511 771 H LYS 102 H LYS 102 15.913 -9.838 -6.954 772 HA LYS 102 HA LYS 102 16.839 -7.416 -7.809 773 1HB LYS 102 1HB LYS 102 16.439 -9.435 -9.222 774 2HB LYS 102 2HB LYS 102 14.727 -9.041 -9.232 775 1HG LYS 102 1HG LYS 102 16.535 -6.881 -10.083 776 2HG LYS 102 2HG LYS 102 16.456 -8.289 -11.146 777 1HD LYS 102 1HD LYS 102 13.943 -8.060 -11.052 778 2HD LYS 102 2HD LYS 102 14.198 -6.503 -10.261 779 1HE LYS 102 1HE LYS 102 15.507 -5.753 -12.200 780 2HE LYS 102 2HE LYS 102 15.211 -7.303 -12.988 781 1HZ LYS 102 1HZ LYS 102 13.672 -5.688 -13.817 782 2HZ LYS 102 2HZ LYS 102 13.177 -5.269 -12.255 783 3HZ LYS 102 3HZ LYS 102 12.812 -6.801 -12.874 784 H VAL 103 H VAL 103 13.720 -8.138 -6.553 785 HA VAL 103 HA VAL 103 12.262 -5.967 -7.616 786 HB VAL 103 HB VAL 103 11.908 -7.694 -5.182 787 1HG1 VAL 103 1HG1 VAL 103 10.949 -5.616 -4.507 788 2HG1 VAL 103 2HG1 VAL 103 9.618 -6.663 -5.001 789 3HG1 VAL 103 3HG1 VAL 103 10.184 -5.388 -6.080 790 1HG2 VAL 103 1HG2 VAL 103 10.239 -7.426 -7.679 791 2HG2 VAL 103 2HG2 VAL 103 10.082 -8.645 -6.415 792 3HG2 VAL 103 3HG2 VAL 103 11.508 -8.628 -7.451 793 H ALA 104 H ALA 104 13.601 -6.383 -4.326 794 HA ALA 104 HA ALA 104 13.138 -3.779 -3.440 795 1HB ALA 104 1HB ALA 104 15.052 -4.328 -1.821 796 2HB ALA 104 2HB ALA 104 15.071 -5.908 -2.604 797 3HB ALA 104 3HB ALA 104 13.614 -5.344 -1.788 798 H VAL 105 H VAL 105 16.127 -5.188 -4.733 799 HA VAL 105 HA VAL 105 17.740 -2.935 -4.581 800 HB VAL 105 HB VAL 105 17.883 -5.143 -6.635 801 1HG1 VAL 105 1HG1 VAL 105 20.268 -4.570 -6.758 802 2HG1 VAL 105 2HG1 VAL 105 19.990 -3.213 -5.669 803 3HG1 VAL 105 3HG1 VAL 105 19.242 -3.229 -7.266 804 1HG2 VAL 105 1HG2 VAL 105 19.218 -4.918 -3.940 805 2HG2 VAL 105 2HG2 VAL 105 19.425 -6.228 -5.103 806 3HG2 VAL 105 3HG2 VAL 105 17.862 -5.976 -4.327 807 H ASN 106 H ASN 106 16.169 -4.175 -7.548 808 HA ASN 106 HA ASN 106 16.835 -1.997 -9.159 809 1HB ASN 106 1HB ASN 106 16.065 -4.173 -10.025 810 2HB ASN 106 2HB ASN 106 14.440 -3.815 -9.446 811 1HD2 ASN 106 1HD2 ASN 106 16.888 -3.047 -11.788 812 2HD2 ASN 106 2HD2 ASN 106 15.868 -2.159 -12.863 813 H TYR 107 H TYR 107 14.193 -2.357 -6.886 814 HA TYR 107 HA TYR 107 12.485 -0.386 -7.909 815 1HB TYR 107 1HB TYR 107 11.481 -1.709 -6.300 816 2HB TYR 107 2HB TYR 107 12.886 -1.671 -5.242 817 HD1 TYR 107 HD1 TYR 107 12.604 -0.585 -3.291 818 HD2 TYR 107 HD2 TYR 107 10.457 0.807 -6.672 819 HE1 TYR 107 HE1 TYR 107 11.572 1.163 -1.901 820 HE2 TYR 107 HE2 TYR 107 9.411 2.559 -5.302 821 HH TYR 107 HH TYR 107 10.508 3.341 -2.173 822 H LEU 108 H LEU 108 15.450 -0.204 -6.142 823 HA LEU 108 HA LEU 108 15.254 2.365 -5.054 824 1HB LEU 108 1HB LEU 108 17.534 0.626 -5.896 825 2HB LEU 108 2HB LEU 108 17.844 2.279 -5.419 826 HG LEU 108 HG LEU 108 16.548 0.168 -3.695 827 1HD1 LEU 108 1HD1 LEU 108 19.307 1.374 -3.711 828 2HD1 LEU 108 2HD1 LEU 108 18.865 -0.319 -3.934 829 3HD1 LEU 108 3HD1 LEU 108 18.649 0.448 -2.363 830 1HD2 LEU 108 1HD2 LEU 108 16.727 1.819 -1.902 831 2HD2 LEU 108 2HD2 LEU 108 15.694 2.403 -3.205 832 3HD2 LEU 108 3HD2 LEU 108 17.344 3.006 -3.050 833 H GLU 109 H GLU 109 15.904 1.301 -8.309 834 HA GLU 109 HA GLU 109 17.159 3.504 -9.406 835 1HB GLU 109 1HB GLU 109 15.036 1.771 -10.684 836 2HB GLU 109 2HB GLU 109 16.136 2.834 -11.551 837 1HG GLU 109 1HG GLU 109 16.925 0.446 -9.898 838 2HG GLU 109 2HG GLU 109 16.866 0.519 -11.658 839 H THR 110 H THR 110 13.884 3.183 -8.321 840 HA THR 110 HA THR 110 13.152 5.743 -9.560 841 HB THR 110 HB THR 110 10.838 5.215 -8.863 842 HG1 THR 110 HG1 THR 110 11.671 2.597 -8.229 843 1HG2 THR 110 1HG2 THR 110 11.646 4.539 -11.085 844 2HG2 THR 110 2HG2 THR 110 10.444 3.413 -10.454 845 3HG2 THR 110 3HG2 THR 110 12.156 2.986 -10.420 846 H HIS 111 H HIS 111 13.004 4.075 -6.420 847 HA HIS 111 HA HIS 111 13.415 6.650 -5.092 848 1HB HIS 111 1HB HIS 111 11.152 4.734 -4.517 849 2HB HIS 111 2HB HIS 111 11.665 5.979 -3.382 850 HD1 HIS 111 HD1 HIS 111 11.133 8.438 -4.000 851 HD2 HIS 111 HD2 HIS 111 9.704 5.645 -6.724 852 HE1 HIS 111 HE1 HIS 111 9.518 9.693 -5.463 853 HE2 HIS 111 HE2 HIS 111 8.620 7.970 -7.068 Start of MODEL 19 1 H MET 1 H MET 1 -13.437 -0.175 19.323 2 HA MET 1 HA MET 1 -11.743 1.257 18.450 3 1HB MET 1 1HB MET 1 -14.182 2.797 19.364 4 2HB MET 1 2HB MET 1 -13.108 3.272 18.057 5 1HG MET 1 1HG MET 1 -14.944 2.309 16.996 6 2HG MET 1 2HG MET 1 -13.707 1.055 16.969 7 1HE MET 1 1HE MET 1 -17.068 2.279 18.556 8 2HE MET 1 2HE MET 1 -15.998 2.236 19.958 9 3HE MET 1 3HE MET 1 -17.330 1.086 19.829 10 H ALA 2 H ALA 2 -10.254 2.877 18.700 11 HA ALA 2 HA ALA 2 -9.883 3.836 21.454 12 1HB ALA 2 1HB ALA 2 -8.042 2.519 20.545 13 2HB ALA 2 2HB ALA 2 -7.542 4.183 20.844 14 3HB ALA 2 3HB ALA 2 -7.888 3.649 19.200 15 H ASP 3 H ASP 3 -8.211 5.943 21.082 16 HA ASP 3 HA ASP 3 -10.038 7.960 20.069 17 1HB ASP 3 1HB ASP 3 -8.846 8.156 22.287 18 2HB ASP 3 2HB ASP 3 -7.351 8.382 21.385 19 H GLU 4 H GLU 4 -7.552 6.139 18.827 20 HA GLU 4 HA GLU 4 -6.388 8.178 17.130 21 1HB GLU 4 1HB GLU 4 -6.032 5.174 17.153 22 2HB GLU 4 2HB GLU 4 -5.106 6.292 16.163 23 1HG GLU 4 1HG GLU 4 -4.216 7.342 18.183 24 2HG GLU 4 2HG GLU 4 -5.141 6.212 19.172 25 H ASN 5 H ASN 5 -9.313 7.304 17.035 26 HA ASN 5 HA ASN 5 -9.629 6.119 14.433 27 1HB ASN 5 1HB ASN 5 -12.048 6.522 14.824 28 2HB ASN 5 2HB ASN 5 -11.279 5.652 16.148 29 1HD2 ASN 5 1HD2 ASN 5 -12.898 6.278 17.579 30 2HD2 ASN 5 2HD2 ASN 5 -12.995 7.885 18.205 31 H LYS 6 H LYS 6 -8.312 8.866 14.925 32 HA LYS 6 HA LYS 6 -10.054 10.573 13.325 33 1HB LYS 6 1HB LYS 6 -8.921 11.466 15.355 34 2HB LYS 6 2HB LYS 6 -7.371 11.213 14.561 35 1HG LYS 6 1HG LYS 6 -7.996 12.790 12.813 36 2HG LYS 6 2HG LYS 6 -9.564 13.031 13.585 37 1HD LYS 6 1HD LYS 6 -8.506 13.967 15.542 38 2HD LYS 6 2HD LYS 6 -6.906 13.610 14.887 39 1HE LYS 6 1HE LYS 6 -7.287 15.158 13.055 40 2HE LYS 6 2HE LYS 6 -8.919 15.478 13.640 41 1HZ LYS 6 1HZ LYS 6 -7.973 16.405 15.661 42 2HZ LYS 6 2HZ LYS 6 -7.385 17.220 14.300 43 3HZ LYS 6 3HZ LYS 6 -6.406 16.095 15.099 44 H TRP 7 H TRP 7 -7.463 8.430 12.878 45 HA TRP 7 HA TRP 7 -6.474 9.772 10.488 46 1HB TRP 7 1HB TRP 7 -5.616 7.243 11.898 47 2HB TRP 7 2HB TRP 7 -4.894 7.811 10.396 48 HD1 TRP 7 HD1 TRP 7 -4.976 8.515 14.133 49 HE1 TRP 7 HE1 TRP 7 -3.130 10.216 14.703 50 HE3 TRP 7 HE3 TRP 7 -3.563 9.796 9.390 51 HZ2 TRP 7 HZ2 TRP 7 -1.314 11.881 13.322 52 HZ3 TRP 7 HZ3 TRP 7 -1.764 11.450 9.100 53 HH2 TRP 7 HH2 TRP 7 -0.664 12.471 11.026 54 H VAL 8 H VAL 8 -9.210 8.440 10.821 55 HA VAL 8 HA VAL 8 -9.019 6.472 8.647 56 HB VAL 8 HB VAL 8 -10.193 5.811 10.755 57 1HG1 VAL 8 1HG1 VAL 8 -12.399 6.695 11.226 58 2HG1 VAL 8 2HG1 VAL 8 -12.277 7.797 9.855 59 3HG1 VAL 8 3HG1 VAL 8 -11.210 7.996 11.245 60 1HG2 VAL 8 1HG2 VAL 8 -10.651 4.660 8.665 61 2HG2 VAL 8 2HG2 VAL 8 -11.872 5.863 8.249 62 3HG2 VAL 8 3HG2 VAL 8 -12.123 4.793 9.628 63 H ARG 9 H ARG 9 -10.428 6.563 6.873 64 HA ARG 9 HA ARG 9 -11.191 7.663 5.028 65 1HB ARG 9 1HB ARG 9 -13.361 8.642 5.317 66 2HB ARG 9 2HB ARG 9 -13.222 7.275 6.410 67 1HG ARG 9 1HG ARG 9 -12.749 8.838 8.257 68 2HG ARG 9 2HG ARG 9 -12.987 10.186 7.143 69 1HD ARG 9 1HD ARG 9 -15.015 9.852 8.373 70 2HD ARG 9 2HD ARG 9 -15.284 9.337 6.708 71 HE ARG 9 HE ARG 9 -14.548 7.059 8.024 72 1HH1 ARG 9 1HH1 ARG 9 -17.044 9.455 8.445 73 2HH1 ARG 9 2HH1 ARG 9 -18.169 8.345 9.152 74 1HH2 ARG 9 1HH2 ARG 9 -16.022 5.592 8.955 75 2HH2 ARG 9 2HH2 ARG 9 -17.589 6.149 9.442 76 H ARG 10 H ARG 10 -9.039 9.097 6.521 77 HA ARG 10 HA ARG 10 -9.598 11.885 6.283 78 1HB ARG 10 1HB ARG 10 -6.993 10.358 6.479 79 2HB ARG 10 2HB ARG 10 -7.091 12.114 6.458 80 1HG ARG 10 1HG ARG 10 -8.510 10.425 8.498 81 2HG ARG 10 2HG ARG 10 -6.871 11.039 8.723 82 1HD ARG 10 1HD ARG 10 -9.261 12.777 8.129 83 2HD ARG 10 2HD ARG 10 -8.664 12.445 9.754 84 HE ARG 10 HE ARG 10 -6.580 13.432 8.112 85 1HH1 ARG 10 1HH1 ARG 10 -9.443 14.450 9.819 86 2HH1 ARG 10 2HH1 ARG 10 -8.880 16.071 10.058 87 1HH2 ARG 10 1HH2 ARG 10 -5.832 15.563 8.423 88 2HH2 ARG 10 2HH2 ARG 10 -6.828 16.703 9.263 89 H ASP 11 H ASP 11 -10.190 12.608 4.332 90 HA ASP 11 HA ASP 11 -9.992 13.310 2.175 91 1HB ASP 11 1HB ASP 11 -7.589 13.672 2.768 92 2HB ASP 11 2HB ASP 11 -7.252 12.042 2.193 93 H VAL 12 H VAL 12 -9.806 10.103 3.149 94 HA VAL 12 HA VAL 12 -10.331 9.141 0.412 95 HB VAL 12 HB VAL 12 -9.381 7.415 2.697 96 1HG1 VAL 12 1HG1 VAL 12 -8.692 5.924 0.831 97 2HG1 VAL 12 2HG1 VAL 12 -9.473 7.035 -0.294 98 3HG1 VAL 12 3HG1 VAL 12 -10.433 6.189 0.919 99 1HG2 VAL 12 1HG2 VAL 12 -7.135 7.535 1.636 100 2HG2 VAL 12 2HG2 VAL 12 -7.660 9.055 2.359 101 3HG2 VAL 12 3HG2 VAL 12 -7.733 8.840 0.611 102 H SER 13 H SER 13 -11.902 7.399 0.213 103 HA SER 13 HA SER 13 -13.655 6.852 2.439 104 1HB SER 13 1HB SER 13 -14.685 8.412 0.056 105 2HB SER 13 2HB SER 13 -15.689 7.723 1.332 106 HG SER 13 HG SER 13 -14.190 9.055 2.748 107 H THR 14 H THR 14 -12.004 5.675 0.053 108 HA THR 14 HA THR 14 -13.840 3.464 -0.402 109 HB THR 14 HB THR 14 -12.610 4.989 -2.710 110 HG1 THR 14 HG1 THR 14 -14.768 5.565 -1.492 111 1HG2 THR 14 1HG2 THR 14 -14.334 2.508 -2.729 112 2HG2 THR 14 2HG2 THR 14 -12.615 2.571 -3.112 113 3HG2 THR 14 3HG2 THR 14 -13.780 3.393 -4.149 114 H ALA 15 H ALA 15 -12.382 2.134 0.754 115 HA ALA 15 HA ALA 15 -9.656 1.970 -0.286 116 1HB ALA 15 1HB ALA 15 -9.233 0.506 1.668 117 2HB ALA 15 2HB ALA 15 -10.911 0.738 2.155 118 3HB ALA 15 3HB ALA 15 -9.811 2.113 2.102 119 H LEU 16 H LEU 16 -11.859 -0.603 0.896 120 HA LEU 16 HA LEU 16 -10.874 -2.308 -1.253 121 1HB LEU 16 1HB LEU 16 -10.996 -3.218 1.021 122 2HB LEU 16 2HB LEU 16 -12.724 -2.923 1.053 123 HG LEU 16 HG LEU 16 -11.677 -4.668 -1.117 124 1HD1 LEU 16 1HD1 LEU 16 -11.788 -6.622 0.406 125 2HD1 LEU 16 2HD1 LEU 16 -11.895 -5.506 1.768 126 3HD1 LEU 16 3HD1 LEU 16 -10.449 -5.529 0.758 127 1HD2 LEU 16 1HD2 LEU 16 -13.795 -5.882 -0.555 128 2HD2 LEU 16 2HD2 LEU 16 -14.020 -4.221 -1.104 129 3HD2 LEU 16 3HD2 LEU 16 -14.143 -4.607 0.612 130 H SER 17 H SER 17 -14.115 -1.814 0.122 131 HA SER 17 HA SER 17 -15.292 -2.175 -2.520 132 1HB SER 17 1HB SER 17 -16.301 -3.386 -0.639 133 2HB SER 17 2HB SER 17 -16.594 -1.862 0.198 134 HG SER 17 HG SER 17 -17.607 -1.830 -2.316 135 H ARG 18 H ARG 18 -15.444 0.121 0.157 136 HA ARG 18 HA ARG 18 -15.117 2.476 -1.212 137 1HB ARG 18 1HB ARG 18 -17.251 1.760 -2.381 138 2HB ARG 18 2HB ARG 18 -18.070 1.954 -0.838 139 1HG ARG 18 1HG ARG 18 -17.479 4.310 -0.799 140 2HG ARG 18 2HG ARG 18 -16.604 4.126 -2.320 141 1HD ARG 18 1HD ARG 18 -18.757 3.358 -3.353 142 2HD ARG 18 2HD ARG 18 -19.563 3.815 -1.852 143 HE ARG 18 HE ARG 18 -18.135 6.032 -2.663 144 1HH1 ARG 18 1HH1 ARG 18 -20.697 4.050 -3.947 145 2HH1 ARG 18 2HH1 ARG 18 -21.431 5.346 -4.831 146 1HH2 ARG 18 1HH2 ARG 18 -19.093 7.743 -3.823 147 2HH2 ARG 18 2HH2 ARG 18 -20.517 7.446 -4.760 148 H MET 19 H MET 19 -14.089 2.055 1.038 149 HA MET 19 HA MET 19 -15.807 3.328 3.068 150 1HB MET 19 1HB MET 19 -13.589 1.492 3.868 151 2HB MET 19 2HB MET 19 -15.069 1.895 4.729 152 1HG MET 19 1HG MET 19 -16.321 0.605 2.982 153 2HG MET 19 2HG MET 19 -14.757 0.067 2.365 154 1HE MET 19 1HE MET 19 -17.318 -0.109 5.352 155 2HE MET 19 2HE MET 19 -15.919 0.699 6.058 156 3HE MET 19 3HE MET 19 -16.352 -0.928 6.581 157 H GLY 20 H GLY 20 -12.473 2.792 1.980 158 1HA GLY 20 1HA GLY 20 -10.725 4.302 1.875 159 2HA GLY 20 2HA GLY 20 -11.803 5.538 2.503 160 H ASP 21 H ASP 21 -9.332 3.289 3.209 161 HA ASP 21 HA ASP 21 -7.951 3.045 4.993 162 1HB ASP 21 1HB ASP 21 -8.114 5.517 5.193 163 2HB ASP 21 2HB ASP 21 -9.490 5.310 6.272 164 H GLU 22 H GLU 22 -11.374 2.972 5.392 165 HA GLU 22 HA GLU 22 -11.255 1.675 7.980 166 1HB GLU 22 1HB GLU 22 -13.113 3.219 7.372 167 2HB GLU 22 2HB GLU 22 -13.627 2.068 6.147 168 1HG GLU 22 1HG GLU 22 -14.251 0.474 7.757 169 2HG GLU 22 2HG GLU 22 -13.404 1.330 9.045 170 H ALA 23 H ALA 23 -11.364 0.827 4.640 171 HA ALA 23 HA ALA 23 -12.011 -1.964 5.231 172 1HB ALA 23 1HB ALA 23 -12.151 -0.243 2.865 173 2HB ALA 23 2HB ALA 23 -13.122 -1.647 3.307 174 3HB ALA 23 3HB ALA 23 -11.548 -1.868 2.546 175 H PHE 24 H PHE 24 -9.414 -0.228 5.602 176 HA PHE 24 HA PHE 24 -7.369 -1.417 4.086 177 1HB PHE 24 1HB PHE 24 -7.436 0.703 5.662 178 2HB PHE 24 2HB PHE 24 -6.869 -0.448 6.867 179 HD1 PHE 24 HD1 PHE 24 -5.957 1.676 4.160 180 HD2 PHE 24 HD2 PHE 24 -4.785 -1.791 6.328 181 HE1 PHE 24 HE1 PHE 24 -3.663 1.936 3.328 182 HE2 PHE 24 HE2 PHE 24 -2.491 -1.538 5.499 183 HZ PHE 24 HZ PHE 24 -1.923 0.331 3.996 184 H GLU 25 H GLU 25 -8.613 -2.128 7.323 185 HA GLU 25 HA GLU 25 -6.857 -4.235 7.929 186 1HB GLU 25 1HB GLU 25 -9.485 -3.320 8.978 187 2HB GLU 25 2HB GLU 25 -8.898 -4.909 9.427 188 1HG GLU 25 1HG GLU 25 -7.367 -2.352 9.818 189 2HG GLU 25 2HG GLU 25 -8.331 -3.147 11.063 190 HA PRO 26 HA PRO 26 -10.684 -7.169 6.496 191 1HB PRO 26 1HB PRO 26 -11.163 -5.423 4.108 192 2HB PRO 26 2HB PRO 26 -12.283 -6.496 4.956 193 1HG PRO 26 1HG PRO 26 -12.341 -3.854 5.347 194 2HG PRO 26 2HG PRO 26 -12.639 -4.991 6.674 195 1HD PRO 26 1HD PRO 26 -10.287 -3.274 6.161 196 2HD PRO 26 2HD PRO 26 -10.889 -3.935 7.689 197 H LEU 27 H LEU 27 -8.268 -5.365 4.864 198 HA LEU 27 HA LEU 27 -7.708 -7.348 2.837 199 1HB LEU 27 1HB LEU 27 -6.453 -4.758 3.700 200 2HB LEU 27 2HB LEU 27 -5.728 -5.769 2.460 201 HG LEU 27 HG LEU 27 -8.473 -4.516 2.307 202 1HD1 LEU 27 1HD1 LEU 27 -5.914 -3.807 0.881 203 2HD1 LEU 27 2HD1 LEU 27 -6.683 -2.863 2.157 204 3HD1 LEU 27 3HD1 LEU 27 -7.492 -3.072 0.604 205 1HD2 LEU 27 1HD2 LEU 27 -8.442 -6.574 1.075 206 2HD2 LEU 27 2HD2 LEU 27 -6.897 -6.160 0.332 207 3HD2 LEU 27 3HD2 LEU 27 -8.346 -5.238 -0.071 208 H LEU 28 H LEU 28 -6.043 -5.944 5.636 209 HA LEU 28 HA LEU 28 -3.792 -7.595 5.633 210 1HB LEU 28 1HB LEU 28 -3.805 -5.569 6.901 211 2HB LEU 28 2HB LEU 28 -5.183 -6.098 7.846 212 HG LEU 28 HG LEU 28 -3.775 -7.848 8.885 213 1HD1 LEU 28 1HD1 LEU 28 -1.541 -6.524 7.358 214 2HD1 LEU 28 2HD1 LEU 28 -2.168 -8.149 7.084 215 3HD1 LEU 28 3HD1 LEU 28 -1.352 -7.762 8.599 216 1HD2 LEU 28 1HD2 LEU 28 -2.773 -5.014 9.087 217 2HD2 LEU 28 2HD2 LEU 28 -2.379 -6.299 10.229 218 3HD2 LEU 28 3HD2 LEU 28 -4.050 -5.763 10.046 219 H GLU 29 H GLU 29 -6.995 -8.111 6.995 220 HA GLU 29 HA GLU 29 -6.346 -10.262 8.671 221 1HB GLU 29 1HB GLU 29 -8.683 -10.769 8.739 222 2HB GLU 29 2HB GLU 29 -8.520 -9.019 8.686 223 1HG GLU 29 1HG GLU 29 -9.161 -8.944 6.406 224 2HG GLU 29 2HG GLU 29 -9.054 -10.697 6.251 225 H SER 30 H SER 30 -6.810 -10.048 5.239 226 HA SER 30 HA SER 30 -7.303 -12.758 4.669 227 1HB SER 30 1HB SER 30 -7.721 -11.075 2.990 228 2HB SER 30 2HB SER 30 -6.023 -10.599 2.984 229 HG SER 30 HG SER 30 -6.032 -11.967 1.352 230 H LEU 31 H LEU 31 -4.414 -11.126 5.611 231 HA LEU 31 HA LEU 31 -2.543 -12.901 4.441 232 1HB LEU 31 1HB LEU 31 -2.294 -11.137 6.874 233 2HB LEU 31 2HB LEU 31 -0.957 -11.994 6.130 234 HG LEU 31 HG LEU 31 -2.555 -9.720 4.959 235 1HD1 LEU 31 1HD1 LEU 31 -0.479 -8.539 4.976 236 2HD1 LEU 31 2HD1 LEU 31 0.399 -9.984 5.475 237 3HD1 LEU 31 3HD1 LEU 31 -0.734 -9.215 6.584 238 1HD2 LEU 31 1HD2 LEU 31 -0.508 -11.495 3.634 239 2HD2 LEU 31 2HD2 LEU 31 -1.045 -9.942 2.991 240 3HD2 LEU 31 3HD2 LEU 31 -2.194 -11.270 3.163 241 H SER 32 H SER 32 -4.821 -13.450 6.785 242 HA SER 32 HA SER 32 -3.225 -15.611 8.004 243 1HB SER 32 1HB SER 32 -4.709 -15.494 9.935 244 2HB SER 32 2HB SER 32 -4.028 -13.900 9.609 245 HG SER 32 HG SER 32 -6.431 -14.176 10.001 246 H ASN 33 H ASN 33 -4.912 -15.516 5.464 247 HA ASN 33 HA ASN 33 -7.016 -17.427 6.099 248 1HB ASN 33 1HB ASN 33 -7.729 -17.158 3.798 249 2HB ASN 33 2HB ASN 33 -7.463 -15.572 4.514 250 1HD2 ASN 33 1HD2 ASN 33 -7.564 -15.632 1.890 251 2HD2 ASN 33 2HD2 ASN 33 -6.000 -15.470 1.176 252 H GLU 34 H GLU 34 -7.169 -19.499 5.158 253 HA GLU 34 HA GLU 34 -4.734 -20.931 5.062 254 1HB GLU 34 1HB GLU 34 -7.501 -21.762 4.169 255 2HB GLU 34 2HB GLU 34 -6.138 -22.852 4.381 256 1HG GLU 34 1HG GLU 34 -6.056 -22.235 6.767 257 2HG GLU 34 2HG GLU 34 -7.487 -21.232 6.528 258 H ASP 35 H ASP 35 -6.711 -19.440 2.609 259 HA ASP 35 HA ASP 35 -5.475 -20.821 0.411 260 1HB ASP 35 1HB ASP 35 -7.823 -19.817 0.427 261 2HB ASP 35 2HB ASP 35 -7.044 -18.248 0.245 262 H TRP 36 H TRP 36 -4.283 -19.686 -1.303 263 HA TRP 36 HA TRP 36 -2.482 -17.667 -0.150 264 1HB TRP 36 1HB TRP 36 -0.947 -18.507 -2.087 265 2HB TRP 36 2HB TRP 36 -1.094 -19.461 -0.615 266 HD1 TRP 36 HD1 TRP 36 -2.239 -19.451 -4.289 267 HE1 TRP 36 HE1 TRP 36 -2.894 -21.857 -4.934 268 HE3 TRP 36 HE3 TRP 36 -1.854 -21.670 0.304 269 HZ2 TRP 36 HZ2 TRP 36 -3.204 -24.353 -3.675 270 HZ3 TRP 36 HZ3 TRP 36 -2.348 -24.073 0.494 271 HH2 TRP 36 HH2 TRP 36 -3.009 -25.383 -1.458 272 H ARG 37 H ARG 37 -4.275 -18.572 -3.059 273 HA ARG 37 HA ARG 37 -3.502 -16.451 -4.695 274 1HB ARG 37 1HB ARG 37 -4.754 -18.467 -5.441 275 2HB ARG 37 2HB ARG 37 -6.187 -17.839 -4.639 276 1HG ARG 37 1HG ARG 37 -6.290 -15.978 -6.123 277 2HG ARG 37 2HG ARG 37 -4.725 -16.388 -6.825 278 1HD ARG 37 1HD ARG 37 -6.605 -17.057 -8.268 279 2HD ARG 37 2HD ARG 37 -5.633 -18.432 -7.746 280 HE ARG 37 HE ARG 37 -7.592 -18.379 -5.906 281 1HH1 ARG 37 1HH1 ARG 37 -7.648 -18.268 -9.389 282 2HH1 ARG 37 2HH1 ARG 37 -9.178 -19.069 -9.517 283 1HH2 ARG 37 1HH2 ARG 37 -9.605 -19.435 -6.068 284 2HH2 ARG 37 2HH2 ARG 37 -10.290 -19.730 -7.631 285 H ILE 38 H ILE 38 -5.931 -16.652 -2.163 286 HA ILE 38 HA ILE 38 -7.098 -14.098 -2.754 287 HB ILE 38 HB ILE 38 -7.321 -15.796 -0.264 288 1HG1 ILE 38 1HG1 ILE 38 -9.229 -15.466 -2.592 289 2HG1 ILE 38 2HG1 ILE 38 -8.181 -16.858 -2.338 290 1HG2 ILE 38 1HG2 ILE 38 -7.820 -13.459 0.201 291 2HG2 ILE 38 2HG2 ILE 38 -9.291 -14.428 0.251 292 3HG2 ILE 38 3HG2 ILE 38 -8.951 -13.417 -1.152 293 1HD1 ILE 38 1HD1 ILE 38 -10.386 -15.964 -0.495 294 2HD1 ILE 38 2HD1 ILE 38 -9.354 -17.378 -0.274 295 3HD1 ILE 38 3HD1 ILE 38 -10.470 -17.304 -1.637 296 H ARG 39 H ARG 39 -4.773 -15.337 -0.384 297 HA ARG 39 HA ARG 39 -4.431 -13.072 1.172 298 1HB ARG 39 1HB ARG 39 -3.415 -15.253 1.694 299 2HB ARG 39 2HB ARG 39 -2.308 -15.061 0.341 300 1HG ARG 39 1HG ARG 39 -1.373 -13.055 1.429 301 2HG ARG 39 2HG ARG 39 -2.435 -13.340 2.807 302 1HD ARG 39 1HD ARG 39 -0.269 -15.178 1.795 303 2HD ARG 39 2HD ARG 39 -0.210 -14.197 3.259 304 HE ARG 39 HE ARG 39 -2.432 -16.011 3.209 305 1HH1 ARG 39 1HH1 ARG 39 0.960 -15.688 3.948 306 2HH1 ARG 39 2HH1 ARG 39 0.974 -17.012 5.065 307 1HH2 ARG 39 1HH2 ARG 39 -2.418 -17.757 4.676 308 2HH2 ARG 39 2HH2 ARG 39 -0.944 -18.188 5.476 309 H GLY 40 H GLY 40 -3.205 -13.802 -2.023 310 1HA GLY 40 1HA GLY 40 -1.257 -11.743 -2.149 311 2HA GLY 40 2HA GLY 40 -1.987 -12.558 -3.525 312 H ALA 41 H ALA 41 -4.626 -11.896 -3.265 313 HA ALA 41 HA ALA 41 -4.814 -9.420 -4.477 314 1HB ALA 41 1HB ALA 41 -6.880 -10.988 -2.949 315 2HB ALA 41 2HB ALA 41 -6.604 -10.972 -4.691 316 3HB ALA 41 3HB ALA 41 -7.248 -9.541 -3.887 317 H ALA 42 H ALA 42 -4.591 -10.197 -1.115 318 HA ALA 42 HA ALA 42 -5.708 -7.815 -0.050 319 1HB ALA 42 1HB ALA 42 -4.708 -8.493 2.042 320 2HB ALA 42 2HB ALA 42 -3.674 -9.650 1.206 321 3HB ALA 42 3HB ALA 42 -5.419 -9.894 1.243 322 H ALA 43 H ALA 43 -2.300 -8.836 -0.358 323 HA ALA 43 HA ALA 43 -1.267 -6.260 0.297 324 1HB ALA 43 1HB ALA 43 0.017 -8.282 0.706 325 2HB ALA 43 2HB ALA 43 0.896 -7.187 -0.363 326 3HB ALA 43 3HB ALA 43 0.084 -8.605 -1.027 327 H TRP 44 H TRP 44 -2.536 -7.665 -2.521 328 HA TRP 44 HA TRP 44 -1.075 -6.402 -4.548 329 1HB TRP 44 1HB TRP 44 -3.493 -7.962 -4.316 330 2HB TRP 44 2HB TRP 44 -3.691 -6.676 -5.498 331 HD1 TRP 44 HD1 TRP 44 -1.459 -9.738 -4.792 332 HE1 TRP 44 HE1 TRP 44 -0.450 -10.528 -7.024 333 HE3 TRP 44 HE3 TRP 44 -3.150 -5.983 -7.818 334 HZ2 TRP 44 HZ2 TRP 44 -0.385 -9.673 -9.715 335 HZ3 TRP 44 HZ3 TRP 44 -2.573 -6.043 -10.209 336 HH2 TRP 44 HH2 TRP 44 -1.218 -7.851 -11.136 337 H ILE 45 H ILE 45 -4.071 -5.371 -2.899 338 HA ILE 45 HA ILE 45 -3.944 -2.824 -4.346 339 HB ILE 45 HB ILE 45 -6.147 -3.674 -2.480 340 1HG1 ILE 45 1HG1 ILE 45 -5.967 -4.176 -5.461 341 2HG1 ILE 45 2HG1 ILE 45 -5.837 -5.412 -4.214 342 1HG2 ILE 45 1HG2 ILE 45 -6.019 -1.717 -4.772 343 2HG2 ILE 45 2HG2 ILE 45 -6.108 -1.322 -3.056 344 3HG2 ILE 45 3HG2 ILE 45 -7.472 -2.109 -3.851 345 1HD1 ILE 45 1HD1 ILE 45 -8.245 -3.774 -4.944 346 2HD1 ILE 45 2HD1 ILE 45 -8.152 -4.761 -3.487 347 3HD1 ILE 45 3HD1 ILE 45 -8.033 -5.521 -5.074 348 H ILE 46 H ILE 46 -3.442 -4.180 -1.202 349 HA ILE 46 HA ILE 46 -3.862 -1.972 0.435 350 HB ILE 46 HB ILE 46 -3.147 -4.464 0.971 351 1HG1 ILE 46 1HG1 ILE 46 -2.334 -2.142 2.728 352 2HG1 ILE 46 2HG1 ILE 46 -3.982 -2.733 2.546 353 1HG2 ILE 46 1HG2 ILE 46 -0.535 -2.995 1.297 354 2HG2 ILE 46 2HG2 ILE 46 -0.876 -4.169 0.026 355 3HG2 ILE 46 3HG2 ILE 46 -0.869 -4.676 1.714 356 1HD1 ILE 46 1HD1 ILE 46 -3.275 -4.906 3.452 357 2HD1 ILE 46 2HD1 ILE 46 -3.016 -3.577 4.583 358 3HD1 ILE 46 3HD1 ILE 46 -1.653 -4.255 3.691 359 H GLY 47 H GLY 47 -1.318 -2.576 -1.833 360 1HA GLY 47 1HA GLY 47 0.585 -0.765 -0.692 361 2HA GLY 47 2HA GLY 47 0.644 -1.458 -2.304 362 H ASN 48 H ASN 48 -2.094 -0.421 -2.892 363 HA ASN 48 HA ASN 48 -1.365 1.954 -4.166 364 1HB ASN 48 1HB ASN 48 -4.039 0.743 -3.497 365 2HB ASN 48 2HB ASN 48 -3.895 2.254 -4.384 366 1HD2 ASN 48 1HD2 ASN 48 -3.409 -1.174 -4.463 367 2HD2 ASN 48 2HD2 ASN 48 -3.128 -1.303 -6.162 368 H PHE 49 H PHE 49 -2.391 1.382 -0.924 369 HA PHE 49 HA PHE 49 -2.870 4.250 -0.512 370 1HB PHE 49 1HB PHE 49 -3.444 2.020 1.444 371 2HB PHE 49 2HB PHE 49 -4.034 3.677 1.501 372 HD1 PHE 49 HD1 PHE 49 -5.253 0.624 1.202 373 HD2 PHE 49 HD2 PHE 49 -5.041 4.162 -1.159 374 HE1 PHE 49 HE1 PHE 49 -7.271 -0.072 -0.019 375 HE2 PHE 49 HE2 PHE 49 -7.062 3.472 -2.380 376 HZ PHE 49 HZ PHE 49 -8.179 1.352 -1.811 377 H GLN 50 H GLN 50 -1.030 5.269 -0.038 378 HA GLN 50 HA GLN 50 1.237 4.040 1.118 379 1HB GLN 50 1HB GLN 50 0.478 6.943 0.781 380 2HB GLN 50 2HB GLN 50 2.026 6.424 1.436 381 1HG GLN 50 1HG GLN 50 2.393 6.880 -0.839 382 2HG GLN 50 2HG GLN 50 2.360 5.125 -0.686 383 1HE2 GLN 50 1HE2 GLN 50 0.695 7.934 -1.869 384 2HE2 GLN 50 2HE2 GLN 50 -0.427 7.096 -2.879 385 H ASP 51 H ASP 51 0.246 2.997 2.974 386 HA ASP 51 HA ASP 51 0.078 4.821 5.276 387 1HB ASP 51 1HB ASP 51 -2.168 3.928 4.611 388 2HB ASP 51 2HB ASP 51 -1.567 2.307 4.938 389 H GLU 52 H GLU 52 0.778 3.931 7.294 390 HA GLU 52 HA GLU 52 3.121 2.379 7.083 391 1HB GLU 52 1HB GLU 52 3.137 2.436 9.547 392 2HB GLU 52 2HB GLU 52 2.849 4.022 8.846 393 1HG GLU 52 1HG GLU 52 0.429 3.715 9.255 394 2HG GLU 52 2HG GLU 52 0.796 2.194 10.067 395 H ARG 53 H ARG 53 -0.196 1.533 7.711 396 HA ARG 53 HA ARG 53 0.288 -1.021 8.852 397 1HB ARG 53 1HB ARG 53 -1.839 0.151 9.138 398 2HB ARG 53 2HB ARG 53 -2.148 0.046 7.411 399 1HG ARG 53 1HG ARG 53 -2.456 -2.293 7.511 400 2HG ARG 53 2HG ARG 53 -1.808 -2.379 9.151 401 1HD ARG 53 1HD ARG 53 -4.286 -0.825 8.449 402 2HD ARG 53 2HD ARG 53 -4.327 -2.522 8.925 403 HE ARG 53 HE ARG 53 -2.945 -1.377 10.934 404 1HH1 ARG 53 1HH1 ARG 53 -5.986 -0.597 9.421 405 2HH1 ARG 53 2HH1 ARG 53 -6.672 0.083 10.858 406 1HH2 ARG 53 1HH2 ARG 53 -3.843 -0.488 12.830 407 2HH2 ARG 53 2HH2 ARG 53 -5.455 0.145 12.796 408 H ALA 54 H ALA 54 0.698 0.127 5.703 409 HA ALA 54 HA ALA 54 0.328 -2.541 4.528 410 1HB ALA 54 1HB ALA 54 0.518 -1.343 2.346 411 2HB ALA 54 2HB ALA 54 0.560 0.172 3.249 412 3HB ALA 54 3HB ALA 54 -0.863 -0.866 3.330 413 H VAL 55 H VAL 55 2.718 -1.548 6.170 414 HA VAL 55 HA VAL 55 4.804 -1.651 4.140 415 HB VAL 55 HB VAL 55 6.398 -1.185 5.924 416 1HG1 VAL 55 1HG1 VAL 55 5.244 0.661 4.790 417 2HG1 VAL 55 2HG1 VAL 55 5.670 1.066 6.454 418 3HG1 VAL 55 3HG1 VAL 55 4.006 0.645 6.047 419 1HG2 VAL 55 1HG2 VAL 55 4.005 -1.510 7.702 420 2HG2 VAL 55 2HG2 VAL 55 5.392 -0.538 8.193 421 3HG2 VAL 55 3HG2 VAL 55 5.598 -2.254 7.840 422 H GLU 56 H GLU 56 4.115 -3.423 7.183 423 HA GLU 56 HA GLU 56 6.011 -5.432 6.743 424 1HB GLU 56 1HB GLU 56 5.021 -5.024 8.937 425 2HB GLU 56 2HB GLU 56 3.462 -5.589 8.351 426 1HG GLU 56 1HG GLU 56 4.230 -7.803 8.135 427 2HG GLU 56 2HG GLU 56 5.916 -7.317 8.317 428 HA PRO 57 HA PRO 57 2.006 -8.056 5.129 429 1HB PRO 57 1HB PRO 57 1.223 -5.727 3.426 430 2HB PRO 57 2HB PRO 57 0.231 -7.040 4.068 431 1HG PRO 57 1HG PRO 57 0.235 -4.618 5.205 432 2HG PRO 57 2HG PRO 57 0.097 -6.097 6.168 433 1HD PRO 57 1HD PRO 57 2.367 -4.225 5.910 434 2HD PRO 57 2HD PRO 57 1.976 -5.349 7.225 435 H LEU 58 H LEU 58 3.378 -5.490 3.069 436 HA LEU 58 HA LEU 58 3.763 -7.143 0.829 437 1HB LEU 58 1HB LEU 58 5.553 -4.809 1.353 438 2HB LEU 58 2HB LEU 58 4.833 -5.339 -0.155 439 HG LEU 58 HG LEU 58 3.419 -3.929 2.105 440 1HD1 LEU 58 1HD1 LEU 58 3.100 -2.161 0.397 441 2HD1 LEU 58 2HD1 LEU 58 4.180 -3.056 -0.671 442 3HD1 LEU 58 3HD1 LEU 58 4.784 -2.414 0.856 443 1HD2 LEU 58 1HD2 LEU 58 1.862 -5.461 1.164 444 2HD2 LEU 58 2HD2 LEU 58 2.362 -5.055 -0.478 445 3HD2 LEU 58 3HD2 LEU 58 1.499 -3.867 0.500 446 H ILE 59 H ILE 59 5.976 -6.139 3.407 447 HA ILE 59 HA ILE 59 8.301 -7.316 2.463 448 HB ILE 59 HB ILE 59 7.439 -6.915 5.320 449 1HG1 ILE 59 1HG1 ILE 59 7.497 -4.845 4.011 450 2HG1 ILE 59 2HG1 ILE 59 8.802 -4.872 5.190 451 1HG2 ILE 59 1HG2 ILE 59 10.133 -7.575 4.150 452 2HG2 ILE 59 2HG2 ILE 59 9.210 -8.503 5.331 453 3HG2 ILE 59 3HG2 ILE 59 9.902 -6.945 5.780 454 1HD1 ILE 59 1HD1 ILE 59 9.039 -5.418 2.241 455 2HD1 ILE 59 2HD1 ILE 59 10.358 -5.539 3.405 456 3HD1 ILE 59 3HD1 ILE 59 9.591 -3.981 3.100 457 H LYS 60 H LYS 60 6.028 -8.702 4.833 458 HA LYS 60 HA LYS 60 7.402 -11.185 4.993 459 1HB LYS 60 1HB LYS 60 4.566 -10.519 5.786 460 2HB LYS 60 2HB LYS 60 5.488 -11.921 6.313 461 1HG LYS 60 1HG LYS 60 6.435 -9.128 6.850 462 2HG LYS 60 2HG LYS 60 5.290 -9.945 7.915 463 1HD LYS 60 1HD LYS 60 7.972 -11.085 7.146 464 2HD LYS 60 2HD LYS 60 7.692 -10.134 8.606 465 1HE LYS 60 1HE LYS 60 5.967 -11.783 9.285 466 2HE LYS 60 2HE LYS 60 6.394 -12.757 7.878 467 1HZ LYS 60 1HZ LYS 60 8.283 -12.012 10.045 468 2HZ LYS 60 2HZ LYS 60 8.598 -13.049 8.746 469 3HZ LYS 60 3HZ LYS 60 7.485 -13.499 9.937 470 H LEU 61 H LEU 61 5.185 -9.960 2.690 471 HA LEU 61 HA LEU 61 4.196 -12.597 1.981 472 1HB LEU 61 1HB LEU 61 2.884 -10.349 2.007 473 2HB LEU 61 2HB LEU 61 3.578 -10.142 0.409 474 HG LEU 61 HG LEU 61 2.555 -12.225 -0.323 475 1HD1 LEU 61 1HD1 LEU 61 1.681 -12.359 2.539 476 2HD1 LEU 61 2HD1 LEU 61 2.448 -13.603 1.551 477 3HD1 LEU 61 3HD1 LEU 61 0.762 -13.168 1.272 478 1HD2 LEU 61 1HD2 LEU 61 0.179 -11.511 -0.182 479 2HD2 LEU 61 2HD2 LEU 61 1.281 -10.225 -0.672 480 3HD2 LEU 61 3HD2 LEU 61 0.665 -10.276 0.980 481 H LEU 62 H LEU 62 6.285 -10.122 0.530 482 HA LEU 62 HA LEU 62 6.528 -11.374 -1.988 483 1HB LEU 62 1HB LEU 62 8.636 -9.982 -2.162 484 2HB LEU 62 2HB LEU 62 7.135 -9.115 -1.901 485 HG LEU 62 HG LEU 62 7.812 -9.254 0.616 486 1HD1 LEU 62 1HD1 LEU 62 9.709 -10.718 0.357 487 2HD1 LEU 62 2HD1 LEU 62 10.263 -9.135 0.906 488 3HD1 LEU 62 3HD1 LEU 62 10.458 -9.602 -0.784 489 1HD2 LEU 62 1HD2 LEU 62 7.570 -7.174 -0.568 490 2HD2 LEU 62 2HD2 LEU 62 9.116 -7.409 -1.382 491 3HD2 LEU 62 3HD2 LEU 62 9.070 -7.130 0.358 492 H GLU 63 H GLU 63 7.641 -12.354 0.999 493 HA GLU 63 HA GLU 63 9.971 -13.763 -0.079 494 1HB GLU 63 1HB GLU 63 9.030 -13.008 2.644 495 2HB GLU 63 2HB GLU 63 10.066 -14.417 2.485 496 1HG GLU 63 1HG GLU 63 11.737 -13.011 1.331 497 2HG GLU 63 2HG GLU 63 10.706 -11.610 1.614 498 H ASP 64 H ASP 64 6.698 -14.294 0.513 499 HA ASP 64 HA ASP 64 6.707 -16.928 1.500 500 1HB ASP 64 1HB ASP 64 4.746 -15.267 1.328 501 2HB ASP 64 2HB ASP 64 4.575 -15.869 -0.317 502 H ASP 65 H ASP 65 7.095 -15.613 -1.644 503 HA ASP 65 HA ASP 65 7.680 -16.504 -3.649 504 1HB ASP 65 1HB ASP 65 8.431 -18.827 -1.875 505 2HB ASP 65 2HB ASP 65 8.708 -18.828 -3.614 506 H SER 66 H SER 66 4.949 -16.853 -2.462 507 HA SER 66 HA SER 66 3.995 -19.333 -3.614 508 1HB SER 66 1HB SER 66 3.003 -18.394 -1.533 509 2HB SER 66 2HB SER 66 2.412 -17.022 -2.467 510 HG SER 66 HG SER 66 1.185 -19.280 -2.092 511 H GLY 67 H GLY 67 4.967 -16.542 -4.943 512 1HA GLY 67 1HA GLY 67 4.789 -15.891 -7.164 513 2HA GLY 67 2HA GLY 67 3.434 -16.994 -7.362 514 H PHE 68 H PHE 68 1.343 -16.258 -6.986 515 HA PHE 68 HA PHE 68 0.692 -13.652 -7.587 516 1HB PHE 68 1HB PHE 68 -0.775 -15.825 -7.285 517 2HB PHE 68 2HB PHE 68 -1.041 -15.176 -5.676 518 HD1 PHE 68 HD1 PHE 68 -1.327 -12.285 -6.148 519 HD2 PHE 68 HD2 PHE 68 -2.728 -15.602 -8.436 520 HE1 PHE 68 HE1 PHE 68 -3.166 -10.912 -7.019 521 HE2 PHE 68 HE2 PHE 68 -4.560 -14.220 -9.316 522 HZ PHE 68 HZ PHE 68 -4.782 -11.873 -8.608 523 H VAL 69 H VAL 69 1.067 -15.150 -4.425 524 HA VAL 69 HA VAL 69 0.347 -12.937 -2.872 525 HB VAL 69 HB VAL 69 1.105 -15.588 -2.415 526 1HG1 VAL 69 1HG1 VAL 69 2.908 -13.698 -0.924 527 2HG1 VAL 69 2HG1 VAL 69 3.380 -15.013 -1.998 528 3HG1 VAL 69 3HG1 VAL 69 2.607 -15.370 -0.454 529 1HG2 VAL 69 1HG2 VAL 69 -0.786 -14.505 -1.410 530 2HG2 VAL 69 2HG2 VAL 69 0.266 -13.403 -0.524 531 3HG2 VAL 69 3HG2 VAL 69 0.266 -15.123 -0.136 532 H ARG 70 H ARG 70 3.566 -14.024 -3.971 533 HA ARG 70 HA ARG 70 4.872 -11.866 -2.601 534 1HB ARG 70 1HB ARG 70 6.915 -12.640 -3.767 535 2HB ARG 70 2HB ARG 70 6.099 -13.909 -2.866 536 1HG ARG 70 1HG ARG 70 5.425 -15.008 -4.756 537 2HG ARG 70 2HG ARG 70 5.513 -13.563 -5.765 538 1HD ARG 70 1HD ARG 70 8.033 -13.652 -5.350 539 2HD ARG 70 2HD ARG 70 7.756 -15.285 -4.755 540 HE ARG 70 HE ARG 70 6.576 -14.928 -7.308 541 1HH1 ARG 70 1HH1 ARG 70 9.650 -15.412 -5.735 542 2HH1 ARG 70 2HH1 ARG 70 10.382 -16.159 -7.116 543 1HH2 ARG 70 1HH2 ARG 70 7.530 -15.911 -9.125 544 2HH2 ARG 70 2HH2 ARG 70 9.177 -16.442 -9.043 545 H SER 71 H SER 71 3.427 -12.273 -5.691 546 HA SER 71 HA SER 71 4.903 -10.325 -7.118 547 1HB SER 71 1HB SER 71 2.079 -11.329 -7.553 548 2HB SER 71 2HB SER 71 2.989 -10.343 -8.699 549 HG SER 71 HG SER 71 3.324 -12.412 -9.330 550 H GLY 72 H GLY 72 1.729 -10.166 -5.493 551 1HA GLY 72 1HA GLY 72 1.147 -7.497 -5.948 552 2HA GLY 72 2HA GLY 72 0.636 -8.390 -4.523 553 H ALA 73 H ALA 73 2.964 -8.886 -3.236 554 HA ALA 73 HA ALA 73 3.497 -6.539 -1.851 555 1HB ALA 73 1HB ALA 73 3.945 -8.730 -0.918 556 2HB ALA 73 2HB ALA 73 5.411 -7.749 -0.889 557 3HB ALA 73 3HB ALA 73 5.215 -9.004 -2.111 558 H ALA 74 H ALA 74 5.191 -8.000 -4.577 559 HA ALA 74 HA ALA 74 7.435 -6.320 -4.607 560 1HB ALA 74 1HB ALA 74 7.715 -7.050 -6.933 561 2HB ALA 74 2HB ALA 74 6.096 -7.749 -6.898 562 3HB ALA 74 3HB ALA 74 7.359 -8.399 -5.853 563 H ARG 75 H ARG 75 4.440 -6.118 -6.529 564 HA ARG 75 HA ARG 75 5.134 -3.638 -7.732 565 1HB ARG 75 1HB ARG 75 2.655 -3.646 -8.374 566 2HB ARG 75 2HB ARG 75 3.657 -4.959 -8.978 567 1HG ARG 75 1HG ARG 75 2.818 -6.419 -7.210 568 2HG ARG 75 2HG ARG 75 1.816 -5.103 -6.598 569 1HD ARG 75 1HD ARG 75 0.650 -6.795 -8.072 570 2HD ARG 75 2HD ARG 75 0.465 -5.101 -8.537 571 HE ARG 75 HE ARG 75 2.458 -6.840 -9.835 572 1HH1 ARG 75 1HH1 ARG 75 -0.245 -4.642 -9.997 573 2HH1 ARG 75 2HH1 ARG 75 -0.209 -4.524 -11.726 574 1HH2 ARG 75 1HH2 ARG 75 2.511 -6.685 -12.110 575 2HH2 ARG 75 2HH2 ARG 75 1.354 -5.685 -12.926 576 H SER 76 H SER 76 3.501 -4.470 -4.771 577 HA SER 76 HA SER 76 2.076 -2.073 -4.389 578 1HB SER 76 1HB SER 76 2.117 -2.721 -1.954 579 2HB SER 76 2HB SER 76 1.506 -3.968 -3.043 580 HG SER 76 HG SER 76 3.304 -5.123 -2.759 581 H LEU 77 H LEU 77 5.384 -2.999 -3.517 582 HA LEU 77 HA LEU 77 5.989 -0.730 -1.977 583 1HB LEU 77 1HB LEU 77 7.788 -2.468 -3.665 584 2HB LEU 77 2HB LEU 77 8.368 -1.246 -2.550 585 HG LEU 77 HG LEU 77 6.769 -3.691 -1.785 586 1HD1 LEU 77 1HD1 LEU 77 9.684 -3.023 -1.434 587 2HD1 LEU 77 2HD1 LEU 77 9.010 -4.272 -2.482 588 3HD1 LEU 77 3HD1 LEU 77 8.865 -4.418 -0.730 589 1HD2 LEU 77 1HD2 LEU 77 6.321 -1.812 -0.304 590 2HD2 LEU 77 2HD2 LEU 77 8.052 -1.555 -0.084 591 3HD2 LEU 77 3HD2 LEU 77 7.296 -3.033 0.516 592 H GLU 78 H GLU 78 6.906 -1.370 -5.374 593 HA GLU 78 HA GLU 78 7.817 1.177 -5.981 594 1HB GLU 78 1HB GLU 78 8.087 -0.810 -7.448 595 2HB GLU 78 2HB GLU 78 6.379 -0.711 -7.856 596 1HG GLU 78 1HG GLU 78 6.722 1.459 -8.880 597 2HG GLU 78 2HG GLU 78 8.422 1.427 -8.415 598 H GLN 79 H GLN 79 4.606 -0.015 -5.595 599 HA GLN 79 HA GLN 79 3.225 2.058 -6.962 600 1HB GLN 79 1HB GLN 79 2.550 -0.195 -5.201 601 2HB GLN 79 2HB GLN 79 1.465 1.178 -5.052 602 1HG GLN 79 1HG GLN 79 0.742 1.010 -7.244 603 2HG GLN 79 2HG GLN 79 2.157 0.084 -7.744 604 1HE2 GLN 79 1HE2 GLN 79 0.416 -0.638 -4.819 605 2HE2 GLN 79 2HE2 GLN 79 -0.273 -2.127 -5.359 606 H ILE 80 H ILE 80 4.110 1.524 -3.571 607 HA ILE 80 HA ILE 80 2.923 3.851 -2.531 608 HB ILE 80 HB ILE 80 5.283 2.253 -1.513 609 1HG1 ILE 80 1HG1 ILE 80 2.372 2.234 -0.679 610 2HG1 ILE 80 2HG1 ILE 80 3.128 1.029 -1.714 611 1HG2 ILE 80 1HG2 ILE 80 3.591 4.216 0.028 612 2HG2 ILE 80 2HG2 ILE 80 5.177 4.596 -0.639 613 3HG2 ILE 80 3HG2 ILE 80 5.016 3.348 0.595 614 1HD1 ILE 80 1HD1 ILE 80 4.589 0.355 0.094 615 2HD1 ILE 80 2HD1 ILE 80 2.901 0.267 0.598 616 3HD1 ILE 80 3HD1 ILE 80 3.912 1.610 1.132 617 H GLY 81 H GLY 81 6.383 3.206 -3.146 618 1HA GLY 81 1HA GLY 81 8.102 4.593 -3.761 619 2HA GLY 81 2HA GLY 81 6.883 5.619 -4.499 620 H GLY 82 H GLY 82 9.354 5.709 -2.432 621 1HA GLY 82 1HA GLY 82 9.220 8.195 -1.511 622 2HA GLY 82 2HA GLY 82 8.109 7.401 -0.408 623 H GLU 83 H GLU 83 10.320 8.693 0.531 624 HA GLU 83 HA GLU 83 12.640 7.183 0.858 625 1HB GLU 83 1HB GLU 83 12.403 9.578 1.454 626 2HB GLU 83 2HB GLU 83 11.405 9.120 2.827 627 1HG GLU 83 1HG GLU 83 13.593 9.558 3.630 628 2HG GLU 83 2HG GLU 83 13.334 7.817 3.706 629 H ARG 84 H ARG 84 9.517 6.787 2.223 630 HA ARG 84 HA ARG 84 10.331 5.322 4.534 631 1HB ARG 84 1HB ARG 84 7.779 4.583 4.344 632 2HB ARG 84 2HB ARG 84 8.260 6.149 4.974 633 1HG ARG 84 1HG ARG 84 6.490 6.600 3.519 634 2HG ARG 84 2HG ARG 84 7.932 7.020 2.599 635 1HD ARG 84 1HD ARG 84 6.306 5.773 1.258 636 2HD ARG 84 2HD ARG 84 7.827 4.900 1.431 637 HE ARG 84 HE ARG 84 6.688 3.235 2.494 638 1HH1 ARG 84 1HH1 ARG 84 4.779 6.148 2.626 639 2HH1 ARG 84 2HH1 ARG 84 3.410 5.373 3.351 640 1HH2 ARG 84 1HH2 ARG 84 4.889 2.206 3.449 641 2HH2 ARG 84 2HH2 ARG 84 3.473 3.132 3.818 642 H VAL 85 H VAL 85 9.350 4.476 1.251 643 HA VAL 85 HA VAL 85 9.228 1.667 1.736 644 HB VAL 85 HB VAL 85 9.817 2.940 -0.932 645 1HG1 VAL 85 1HG1 VAL 85 10.068 0.507 -0.788 646 2HG1 VAL 85 2HG1 VAL 85 8.717 0.962 -1.826 647 3HG1 VAL 85 3HG1 VAL 85 8.414 0.377 -0.191 648 1HG2 VAL 85 1HG2 VAL 85 7.899 4.099 -0.205 649 2HG2 VAL 85 2HG2 VAL 85 7.192 2.644 0.495 650 3HG2 VAL 85 3HG2 VAL 85 7.309 2.813 -1.256 651 H ARG 86 H ARG 86 11.745 3.939 0.987 652 HA ARG 86 HA ARG 86 13.749 2.339 -0.025 653 1HB ARG 86 1HB ARG 86 13.949 4.775 0.229 654 2HB ARG 86 2HB ARG 86 14.031 4.593 1.975 655 1HG ARG 86 1HG ARG 86 16.238 4.952 1.166 656 2HG ARG 86 2HG ARG 86 16.117 3.267 1.671 657 1HD ARG 86 1HD ARG 86 15.984 2.510 -0.568 658 2HD ARG 86 2HD ARG 86 15.721 4.143 -1.178 659 HE ARG 86 HE ARG 86 18.031 4.627 -0.660 660 1HH1 ARG 86 1HH1 ARG 86 17.116 1.264 -0.564 661 2HH1 ARG 86 2HH1 ARG 86 18.734 0.688 -0.790 662 1HH2 ARG 86 1HH2 ARG 86 20.157 3.875 -0.960 663 2HH2 ARG 86 2HH2 ARG 86 20.462 2.171 -1.016 664 H ALA 87 H ALA 87 12.472 2.506 3.205 665 HA ALA 87 HA ALA 87 14.613 0.913 4.341 666 1HB ALA 87 1HB ALA 87 13.407 1.099 6.427 667 2HB ALA 87 2HB ALA 87 11.998 1.751 5.592 668 3HB ALA 87 3HB ALA 87 13.492 2.686 5.660 669 H ALA 88 H ALA 88 11.380 0.521 3.106 670 HA ALA 88 HA ALA 88 10.833 -2.049 4.124 671 1HB ALA 88 1HB ALA 88 9.820 -0.785 1.577 672 2HB ALA 88 2HB ALA 88 9.109 -0.579 3.178 673 3HB ALA 88 3HB ALA 88 9.108 -2.167 2.411 674 H MET 89 H MET 89 11.952 -1.073 0.870 675 HA MET 89 HA MET 89 12.464 -3.702 0.004 676 1HB MET 89 1HB MET 89 13.802 -2.632 -1.800 677 2HB MET 89 2HB MET 89 12.184 -1.976 -1.637 678 1HG MET 89 1HG MET 89 13.635 -0.167 -2.028 679 2HG MET 89 2HG MET 89 13.176 -0.094 -0.326 680 1HE MET 89 1HE MET 89 15.953 -1.178 -2.871 681 2HE MET 89 2HE MET 89 15.813 -2.617 -1.864 682 3HE MET 89 3HE MET 89 17.276 -1.636 -1.800 683 H GLU 90 H GLU 90 14.274 -1.496 1.953 684 HA GLU 90 HA GLU 90 16.832 -2.671 1.577 685 1HB GLU 90 1HB GLU 90 15.625 -0.716 3.434 686 2HB GLU 90 2HB GLU 90 16.995 -1.611 4.076 687 1HG GLU 90 1HG GLU 90 16.973 0.023 1.548 688 2HG GLU 90 2HG GLU 90 17.700 0.488 3.084 689 H LYS 91 H LYS 91 14.087 -3.358 3.611 690 HA LYS 91 HA LYS 91 15.421 -5.177 5.354 691 1HB LYS 91 1HB LYS 91 13.171 -3.957 5.701 692 2HB LYS 91 2HB LYS 91 12.476 -5.244 4.727 693 1HG LYS 91 1HG LYS 91 14.133 -5.886 7.131 694 2HG LYS 91 2HG LYS 91 12.434 -5.443 7.296 695 1HD LYS 91 1HD LYS 91 11.837 -7.263 5.746 696 2HD LYS 91 2HD LYS 91 13.537 -7.722 5.656 697 1HE LYS 91 1HE LYS 91 12.273 -9.122 7.230 698 2HE LYS 91 2HE LYS 91 13.567 -8.222 8.018 699 1HZ LYS 91 1HZ LYS 91 10.713 -7.403 7.999 700 2HZ LYS 91 2HZ LYS 91 11.971 -6.646 8.839 701 3HZ LYS 91 3HZ LYS 91 11.477 -8.202 9.280 702 H LEU 92 H LEU 92 13.690 -5.504 2.286 703 HA LEU 92 HA LEU 92 13.877 -8.387 2.349 704 1HB LEU 92 1HB LEU 92 12.047 -8.006 1.108 705 2HB LEU 92 2HB LEU 92 12.527 -6.361 0.744 706 HG LEU 92 HG LEU 92 14.092 -7.364 -1.005 707 1HD1 LEU 92 1HD1 LEU 92 13.981 -9.681 -0.121 708 2HD1 LEU 92 2HD1 LEU 92 13.569 -9.566 -1.831 709 3HD1 LEU 92 3HD1 LEU 92 12.295 -9.758 -0.629 710 1HD2 LEU 92 1HD2 LEU 92 11.873 -6.222 -1.390 711 2HD2 LEU 92 2HD2 LEU 92 11.157 -7.831 -1.485 712 3HD2 LEU 92 3HD2 LEU 92 12.388 -7.343 -2.649 713 H ALA 93 H ALA 93 15.673 -5.685 1.146 714 HA ALA 93 HA ALA 93 17.228 -6.926 -0.830 715 1HB ALA 93 1HB ALA 93 18.188 -4.758 1.028 716 2HB ALA 93 2HB ALA 93 17.101 -4.458 -0.331 717 3HB ALA 93 3HB ALA 93 18.724 -5.088 -0.620 718 H GLU 94 H GLU 94 17.307 -7.051 2.623 719 HA GLU 94 HA GLU 94 19.961 -8.152 2.809 720 1HB GLU 94 1HB GLU 94 19.013 -6.804 4.637 721 2HB GLU 94 2HB GLU 94 17.737 -7.994 4.856 722 1HG GLU 94 1HG GLU 94 19.407 -8.301 6.543 723 2HG GLU 94 2HG GLU 94 19.437 -9.666 5.431 724 H THR 95 H THR 95 16.721 -9.282 2.448 725 HA THR 95 HA THR 95 17.609 -12.079 2.731 726 HB THR 95 HB THR 95 15.135 -12.601 2.820 727 HG1 THR 95 HG1 THR 95 14.388 -10.150 3.687 728 1HG2 THR 95 1HG2 THR 95 16.194 -10.785 4.992 729 2HG2 THR 95 2HG2 THR 95 16.520 -12.512 4.849 730 3HG2 THR 95 3HG2 THR 95 14.879 -11.947 5.161 731 H GLY 96 H GLY 96 17.807 -10.074 0.469 732 1HA GLY 96 1HA GLY 96 16.083 -10.600 -1.622 733 2HA GLY 96 2HA GLY 96 17.768 -10.149 -1.815 734 H THR 97 H THR 97 15.482 -12.492 -2.377 735 HA THR 97 HA THR 97 17.548 -14.352 -3.277 736 HB THR 97 HB THR 97 16.916 -15.245 -1.107 737 HG1 THR 97 HG1 THR 97 16.598 -16.533 -3.445 738 1HG2 THR 97 1HG2 THR 97 14.603 -15.994 -0.677 739 2HG2 THR 97 2HG2 THR 97 14.091 -15.226 -2.179 740 3HG2 THR 97 3HG2 THR 97 14.716 -14.243 -0.854 741 H GLY 98 H GLY 98 17.138 -15.143 -5.249 742 1HA GLY 98 1HA GLY 98 16.037 -15.612 -7.210 743 2HA GLY 98 2HA GLY 98 14.582 -15.788 -6.241 744 H PHE 99 H PHE 99 13.019 -14.612 -7.063 745 HA PHE 99 HA PHE 99 13.531 -12.220 -8.588 746 1HB PHE 99 1HB PHE 99 11.772 -13.438 -9.491 747 2HB PHE 99 2HB PHE 99 11.125 -13.871 -7.914 748 HD1 PHE 99 HD1 PHE 99 11.335 -11.208 -10.445 749 HD2 PHE 99 HD2 PHE 99 9.534 -12.496 -6.809 750 HE1 PHE 99 HE1 PHE 99 9.665 -9.410 -10.637 751 HE2 PHE 99 HE2 PHE 99 7.865 -10.700 -6.991 752 HZ PHE 99 HZ PHE 99 7.926 -9.155 -8.911 753 H ALA 100 H ALA 100 12.486 -13.041 -5.374 754 HA ALA 100 HA ALA 100 11.200 -10.755 -4.535 755 1HB ALA 100 1HB ALA 100 13.086 -12.520 -2.983 756 2HB ALA 100 2HB ALA 100 11.340 -12.714 -3.142 757 3HB ALA 100 3HB ALA 100 11.998 -11.332 -2.266 758 H ARG 101 H ARG 101 14.644 -11.289 -4.971 759 HA ARG 101 HA ARG 101 15.485 -8.919 -3.628 760 1HB ARG 101 1HB ARG 101 16.963 -10.849 -3.957 761 2HB ARG 101 2HB ARG 101 16.899 -10.585 -5.695 762 1HG ARG 101 1HG ARG 101 18.288 -8.781 -5.620 763 2HG ARG 101 2HG ARG 101 17.800 -8.336 -3.983 764 1HD ARG 101 1HD ARG 101 19.098 -10.111 -3.046 765 2HD ARG 101 2HD ARG 101 19.451 -10.767 -4.646 766 HE ARG 101 HE ARG 101 20.375 -8.127 -4.545 767 1HH1 ARG 101 1HH1 ARG 101 21.072 -11.232 -3.127 768 2HH1 ARG 101 2HH1 ARG 101 22.757 -10.896 -2.905 769 1HH2 ARG 101 1HH2 ARG 101 22.589 -7.677 -4.259 770 2HH2 ARG 101 2HH2 ARG 101 23.619 -8.874 -3.549 771 H LYS 102 H LYS 102 15.393 -9.763 -7.094 772 HA LYS 102 HA LYS 102 16.167 -7.398 -8.217 773 1HB LYS 102 1HB LYS 102 15.656 -9.431 -9.502 774 2HB LYS 102 2HB LYS 102 13.941 -9.197 -9.196 775 1HG LYS 102 1HG LYS 102 14.352 -8.433 -11.391 776 2HG LYS 102 2HG LYS 102 14.130 -6.996 -10.392 777 1HD LYS 102 1HD LYS 102 15.994 -6.631 -11.866 778 2HD LYS 102 2HD LYS 102 16.602 -6.803 -10.218 779 1HE LYS 102 1HE LYS 102 17.982 -8.028 -11.835 780 2HE LYS 102 2HE LYS 102 17.224 -9.108 -10.664 781 1HZ LYS 102 1HZ LYS 102 16.311 -8.626 -13.450 782 2HZ LYS 102 2HZ LYS 102 15.517 -9.610 -12.328 783 3HZ LYS 102 3HZ LYS 102 17.063 -10.027 -12.871 784 H VAL 103 H VAL 103 13.277 -8.049 -6.495 785 HA VAL 103 HA VAL 103 11.660 -5.943 -7.484 786 HB VAL 103 HB VAL 103 11.609 -7.541 -4.931 787 1HG1 VAL 103 1HG1 VAL 103 9.281 -6.634 -4.661 788 2HG1 VAL 103 2HG1 VAL 103 9.666 -5.443 -5.903 789 3HG1 VAL 103 3HG1 VAL 103 10.565 -5.457 -4.385 790 1HG2 VAL 103 1HG2 VAL 103 11.124 -8.742 -7.019 791 2HG2 VAL 103 2HG2 VAL 103 9.823 -7.603 -7.362 792 3HG2 VAL 103 3HG2 VAL 103 9.720 -8.662 -5.956 793 H ALA 104 H ALA 104 13.423 -6.276 -4.407 794 HA ALA 104 HA ALA 104 12.967 -3.698 -3.444 795 1HB ALA 104 1HB ALA 104 14.973 -4.162 -2.002 796 2HB ALA 104 2HB ALA 104 15.156 -5.678 -2.884 797 3HB ALA 104 3HB ALA 104 13.695 -5.373 -1.947 798 H VAL 105 H VAL 105 15.896 -4.948 -5.025 799 HA VAL 105 HA VAL 105 17.309 -2.531 -4.991 800 HB VAL 105 HB VAL 105 18.486 -4.602 -5.248 801 1HG1 VAL 105 1HG1 VAL 105 16.740 -5.793 -6.535 802 2HG1 VAL 105 2HG1 VAL 105 18.360 -5.998 -7.198 803 3HG1 VAL 105 3HG1 VAL 105 17.227 -4.888 -7.969 804 1HG2 VAL 105 1HG2 VAL 105 19.999 -4.033 -7.050 805 2HG2 VAL 105 2HG2 VAL 105 19.495 -2.570 -6.203 806 3HG2 VAL 105 3HG2 VAL 105 18.786 -2.974 -7.766 807 H ASN 106 H ASN 106 15.651 -4.065 -7.775 808 HA ASN 106 HA ASN 106 16.192 -2.042 -9.613 809 1HB ASN 106 1HB ASN 106 15.321 -4.226 -10.282 810 2HB ASN 106 2HB ASN 106 13.780 -3.862 -9.511 811 1HD2 ASN 106 1HD2 ASN 106 15.860 -3.224 -12.211 812 2HD2 ASN 106 2HD2 ASN 106 14.692 -2.396 -13.177 813 H TYR 107 H TYR 107 13.749 -2.193 -7.116 814 HA TYR 107 HA TYR 107 11.990 -0.248 -8.105 815 1HB TYR 107 1HB TYR 107 11.113 -1.471 -6.342 816 2HB TYR 107 2HB TYR 107 12.602 -1.390 -5.411 817 HD1 TYR 107 HD1 TYR 107 12.571 -0.118 -3.548 818 HD2 TYR 107 HD2 TYR 107 10.041 0.986 -6.767 819 HE1 TYR 107 HE1 TYR 107 11.714 1.763 -2.212 820 HE2 TYR 107 HE2 TYR 107 9.165 2.867 -5.450 821 HH TYR 107 HH TYR 107 10.634 3.964 -2.617 822 H LEU 108 H LEU 108 15.008 -0.056 -6.373 823 HA LEU 108 HA LEU 108 14.967 2.547 -5.440 824 1HB LEU 108 1HB LEU 108 17.272 0.938 -6.527 825 2HB LEU 108 2HB LEU 108 17.447 2.438 -5.644 826 HG LEU 108 HG LEU 108 16.251 -0.105 -4.548 827 1HD1 LEU 108 1HD1 LEU 108 18.664 -0.256 -4.892 828 2HD1 LEU 108 2HD1 LEU 108 18.261 -0.208 -3.177 829 3HD1 LEU 108 3HD1 LEU 108 18.891 1.233 -3.975 830 1HD2 LEU 108 1HD2 LEU 108 15.232 1.862 -3.550 831 2HD2 LEU 108 2HD2 LEU 108 16.826 2.541 -3.219 832 3HD2 LEU 108 3HD2 LEU 108 16.305 1.072 -2.394 833 H GLU 109 H GLU 109 14.879 1.514 -8.660 834 HA GLU 109 HA GLU 109 16.338 3.420 -10.040 835 1HB GLU 109 1HB GLU 109 15.222 1.475 -11.079 836 2HB GLU 109 2HB GLU 109 13.665 2.254 -10.835 837 1HG GLU 109 1HG GLU 109 14.512 2.463 -13.137 838 2HG GLU 109 2HG GLU 109 14.244 4.019 -12.352 839 H THR 110 H THR 110 13.484 3.833 -8.169 840 HA THR 110 HA THR 110 13.088 6.525 -9.296 841 HB THR 110 HB THR 110 10.846 6.460 -8.195 842 HG1 THR 110 HG1 THR 110 10.110 4.504 -7.381 843 1HG2 THR 110 1HG2 THR 110 11.352 4.215 -10.149 844 2HG2 THR 110 2HG2 THR 110 11.145 5.912 -10.581 845 3HG2 THR 110 3HG2 THR 110 9.811 5.018 -9.854 846 H HIS 111 H HIS 111 12.436 4.995 -6.135 847 HA HIS 111 HA HIS 111 13.602 7.377 -4.860 848 1HB HIS 111 1HB HIS 111 11.628 5.390 -3.710 849 2HB HIS 111 2HB HIS 111 12.231 6.833 -2.902 850 HD1 HIS 111 HD1 HIS 111 9.657 5.662 -5.247 851 HD2 HIS 111 HD2 HIS 111 11.281 9.295 -4.055 852 HE1 HIS 111 HE1 HIS 111 8.040 7.414 -6.045 853 HE2 HIS 111 HE2 HIS 111 9.093 9.610 -5.397 Start of MODEL 20 1 H MET 1 H MET 1 -2.279 16.040 12.069 2 HA MET 1 HA MET 1 -4.960 16.352 13.281 3 1HB MET 1 1HB MET 1 -2.443 18.007 13.573 4 2HB MET 1 2HB MET 1 -3.990 18.347 14.335 5 1HG MET 1 1HG MET 1 -2.676 17.359 16.000 6 2HG MET 1 2HG MET 1 -3.779 16.094 15.463 7 1HE MET 1 1HE MET 1 -0.551 14.061 16.325 8 2HE MET 1 2HE MET 1 -2.268 14.297 16.657 9 3HE MET 1 3HE MET 1 -1.095 15.513 17.166 10 H ALA 2 H ALA 2 -2.490 18.035 11.323 11 HA ALA 2 HA ALA 2 -4.657 19.490 9.973 12 1HB ALA 2 1HB ALA 2 -1.699 20.064 10.111 13 2HB ALA 2 2HB ALA 2 -2.989 20.934 10.942 14 3HB ALA 2 3HB ALA 2 -2.865 21.009 9.184 15 H ASP 3 H ASP 3 -1.790 17.517 9.367 16 HA ASP 3 HA ASP 3 -2.467 17.377 6.520 17 1HB ASP 3 1HB ASP 3 -0.005 16.470 8.028 18 2HB ASP 3 2HB ASP 3 -0.241 16.276 6.293 19 H GLU 4 H GLU 4 -1.827 15.081 5.591 20 HA GLU 4 HA GLU 4 -2.474 12.919 5.319 21 1HB GLU 4 1HB GLU 4 -0.933 12.754 7.347 22 2HB GLU 4 2HB GLU 4 -2.394 12.684 8.324 23 1HG GLU 4 1HG GLU 4 -3.090 10.659 7.203 24 2HG GLU 4 2HG GLU 4 -1.697 10.749 6.126 25 H ASN 5 H ASN 5 -4.489 15.073 5.922 26 HA ASN 5 HA ASN 5 -6.723 13.262 6.549 27 1HB ASN 5 1HB ASN 5 -6.429 16.132 7.461 28 2HB ASN 5 2HB ASN 5 -7.874 15.148 7.672 29 1HD2 ASN 5 1HD2 ASN 5 -6.282 16.403 9.700 30 2HD2 ASN 5 2HD2 ASN 5 -5.691 15.146 10.727 31 H LYS 6 H LYS 6 -8.828 14.898 6.081 32 HA LYS 6 HA LYS 6 -10.158 15.760 4.456 33 1HB LYS 6 1HB LYS 6 -7.528 16.797 3.390 34 2HB LYS 6 2HB LYS 6 -9.104 17.262 2.765 35 1HG LYS 6 1HG LYS 6 -9.690 18.171 4.971 36 2HG LYS 6 2HG LYS 6 -8.083 17.740 5.558 37 1HD LYS 6 1HD LYS 6 -8.578 19.570 3.214 38 2HD LYS 6 2HD LYS 6 -8.349 20.138 4.869 39 1HE LYS 6 1HE LYS 6 -6.361 18.443 3.364 40 2HE LYS 6 2HE LYS 6 -6.286 20.201 3.465 41 1HZ LYS 6 1HZ LYS 6 -6.274 18.415 5.834 42 2HZ LYS 6 2HZ LYS 6 -5.979 20.081 5.806 43 3HZ LYS 6 3HZ LYS 6 -4.871 19.015 5.103 44 H TRP 7 H TRP 7 -8.633 13.108 4.140 45 HA TRP 7 HA TRP 7 -9.431 12.705 1.344 46 1HB TRP 7 1HB TRP 7 -7.482 11.424 0.832 47 2HB TRP 7 2HB TRP 7 -6.927 12.935 1.543 48 HD1 TRP 7 HD1 TRP 7 -6.399 12.677 4.347 49 HE1 TRP 7 HE1 TRP 7 -5.110 10.770 5.497 50 HE3 TRP 7 HE3 TRP 7 -6.848 9.098 0.728 51 HZ2 TRP 7 HZ2 TRP 7 -4.378 8.103 4.943 52 HZ3 TRP 7 HZ3 TRP 7 -5.823 6.895 1.115 53 HH2 TRP 7 HH2 TRP 7 -4.612 6.410 3.179 54 H VAL 8 H VAL 8 -10.133 11.985 4.362 55 HA VAL 8 HA VAL 8 -10.160 9.157 4.462 56 HB VAL 8 HB VAL 8 -10.347 10.429 6.504 57 1HG1 VAL 8 1HG1 VAL 8 -12.370 11.713 7.050 58 2HG1 VAL 8 2HG1 VAL 8 -12.973 11.437 5.416 59 3HG1 VAL 8 3HG1 VAL 8 -11.507 12.385 5.667 60 1HG2 VAL 8 1HG2 VAL 8 -12.119 9.238 7.583 61 2HG2 VAL 8 2HG2 VAL 8 -11.434 8.187 6.343 62 3HG2 VAL 8 3HG2 VAL 8 -12.967 9.010 6.054 63 H ARG 9 H ARG 9 -12.457 11.540 3.246 64 HA ARG 9 HA ARG 9 -14.095 9.315 2.232 65 1HB ARG 9 1HB ARG 9 -15.018 12.048 3.132 66 2HB ARG 9 2HB ARG 9 -16.041 10.871 2.319 67 1HG ARG 9 1HG ARG 9 -14.640 10.291 4.911 68 2HG ARG 9 2HG ARG 9 -16.256 10.993 4.824 69 1HD ARG 9 1HD ARG 9 -16.996 9.043 3.501 70 2HD ARG 9 2HD ARG 9 -15.391 8.336 3.686 71 HE ARG 9 HE ARG 9 -16.084 8.711 6.230 72 1HH1 ARG 9 1HH1 ARG 9 -17.880 7.368 3.562 73 2HH1 ARG 9 2HH1 ARG 9 -18.813 6.304 4.559 74 1HH2 ARG 9 1HH2 ARG 9 -17.309 7.313 7.549 75 2HH2 ARG 9 2HH2 ARG 9 -18.489 6.272 6.825 76 H ARG 10 H ARG 10 -12.766 12.499 1.599 77 HA ARG 10 HA ARG 10 -13.840 12.810 -0.989 78 1HB ARG 10 1HB ARG 10 -12.839 14.676 0.249 79 2HB ARG 10 2HB ARG 10 -11.265 13.897 0.173 80 1HG ARG 10 1HG ARG 10 -11.226 15.544 -1.487 81 2HG ARG 10 2HG ARG 10 -11.481 14.025 -2.346 82 1HD ARG 10 1HD ARG 10 -13.703 15.896 -1.545 83 2HD ARG 10 2HD ARG 10 -12.913 15.933 -3.119 84 HE ARG 10 HE ARG 10 -13.726 13.347 -2.833 85 1HH1 ARG 10 1HH1 ARG 10 -15.316 16.443 -2.681 86 2HH1 ARG 10 2HH1 ARG 10 -16.832 15.838 -3.260 87 1HH2 ARG 10 1HH2 ARG 10 -15.717 12.540 -3.597 88 2HH2 ARG 10 2HH2 ARG 10 -17.060 13.619 -3.780 89 H ASP 11 H ASP 11 -13.125 12.162 -2.974 90 HA ASP 11 HA ASP 11 -11.873 11.130 -4.585 91 1HB ASP 11 1HB ASP 11 -9.871 12.056 -3.389 92 2HB ASP 11 2HB ASP 11 -9.813 10.568 -2.448 93 H VAL 12 H VAL 12 -12.425 9.607 -1.503 94 HA VAL 12 HA VAL 12 -12.267 6.951 -2.722 95 HB VAL 12 HB VAL 12 -12.867 6.397 -0.158 96 1HG1 VAL 12 1HG1 VAL 12 -10.124 7.046 -1.230 97 2HG1 VAL 12 2HG1 VAL 12 -10.978 5.513 -1.411 98 3HG1 VAL 12 3HG1 VAL 12 -10.464 6.053 0.187 99 1HG2 VAL 12 1HG2 VAL 12 -12.982 8.639 0.636 100 2HG2 VAL 12 2HG2 VAL 12 -11.443 9.048 -0.119 101 3HG2 VAL 12 3HG2 VAL 12 -11.485 7.940 1.252 102 H SER 13 H SER 13 -13.949 5.420 -2.442 103 HA SER 13 HA SER 13 -16.558 6.273 -1.560 104 1HB SER 13 1HB SER 13 -16.549 7.209 -3.819 105 2HB SER 13 2HB SER 13 -16.070 5.647 -4.483 106 HG SER 13 HG SER 13 -18.469 6.433 -4.283 107 H THR 14 H THR 14 -14.598 3.879 -3.252 108 HA THR 14 HA THR 14 -16.307 1.667 -2.876 109 HB THR 14 HB THR 14 -14.640 1.373 -4.500 110 HG1 THR 14 HG1 THR 14 -14.910 -0.401 -2.828 111 1HG2 THR 14 1HG2 THR 14 -12.620 2.162 -2.401 112 2HG2 THR 14 2HG2 THR 14 -13.101 3.107 -3.810 113 3HG2 THR 14 3HG2 THR 14 -12.221 1.594 -4.021 114 H ALA 15 H ALA 15 -15.615 -0.290 -1.511 115 HA ALA 15 HA ALA 15 -15.232 0.679 1.218 116 1HB ALA 15 1HB ALA 15 -16.106 -1.484 1.921 117 2HB ALA 15 2HB ALA 15 -16.150 -2.019 0.241 118 3HB ALA 15 3HB ALA 15 -17.190 -0.698 0.774 119 H LEU 16 H LEU 16 -14.201 -2.310 -0.463 120 HA LEU 16 HA LEU 16 -11.913 -2.475 1.299 121 1HB LEU 16 1HB LEU 16 -11.559 -4.650 0.477 122 2HB LEU 16 2HB LEU 16 -13.294 -4.461 0.640 123 HG LEU 16 HG LEU 16 -11.794 -4.231 -1.972 124 1HD1 LEU 16 1HD1 LEU 16 -13.404 -6.525 -0.863 125 2HD1 LEU 16 2HD1 LEU 16 -11.654 -6.493 -1.080 126 3HD1 LEU 16 3HD1 LEU 16 -12.719 -6.431 -2.485 127 1HD2 LEU 16 1HD2 LEU 16 -14.733 -4.319 -1.309 128 2HD2 LEU 16 2HD2 LEU 16 -14.073 -4.490 -2.935 129 3HD2 LEU 16 3HD2 LEU 16 -13.841 -2.986 -2.044 130 H SER 17 H SER 17 -12.483 -1.886 -2.141 131 HA SER 17 HA SER 17 -9.866 -2.063 -3.049 132 1HB SER 17 1HB SER 17 -11.706 -1.819 -4.603 133 2HB SER 17 2HB SER 17 -12.077 -0.217 -3.972 134 HG SER 17 HG SER 17 -10.611 0.569 -5.242 135 H ARG 18 H ARG 18 -11.570 0.829 -1.837 136 HA ARG 18 HA ARG 18 -9.066 1.877 -0.814 137 1HB ARG 18 1HB ARG 18 -10.674 3.373 -2.893 138 2HB ARG 18 2HB ARG 18 -9.376 4.077 -1.941 139 1HG ARG 18 1HG ARG 18 -7.760 2.640 -2.953 140 2HG ARG 18 2HG ARG 18 -9.022 1.719 -3.772 141 1HD ARG 18 1HD ARG 18 -9.641 3.762 -5.023 142 2HD ARG 18 2HD ARG 18 -8.294 4.605 -4.257 143 HE ARG 18 HE ARG 18 -7.291 2.299 -5.462 144 1HH1 ARG 18 1HH1 ARG 18 -8.763 5.318 -6.396 145 2HH1 ARG 18 2HH1 ARG 18 -7.956 5.382 -7.927 146 1HH2 ARG 18 1HH2 ARG 18 -6.229 2.377 -7.471 147 2HH2 ARG 18 2HH2 ARG 18 -6.516 3.710 -8.538 148 H MET 19 H MET 19 -9.553 2.407 1.209 149 HA MET 19 HA MET 19 -12.066 3.858 1.712 150 1HB MET 19 1HB MET 19 -11.305 1.302 2.724 151 2HB MET 19 2HB MET 19 -11.310 2.442 4.063 152 1HG MET 19 1HG MET 19 -13.598 1.982 2.163 153 2HG MET 19 2HG MET 19 -13.459 1.298 3.782 154 1HE MET 19 1HE MET 19 -16.005 2.761 2.963 155 2HE MET 19 2HE MET 19 -16.295 3.943 4.239 156 3HE MET 19 3HE MET 19 -15.782 2.306 4.653 157 H GLY 20 H GLY 20 -8.793 3.140 2.863 158 1HA GLY 20 1HA GLY 20 -7.242 4.824 3.465 159 2HA GLY 20 2HA GLY 20 -8.583 5.918 3.771 160 H ASP 21 H ASP 21 -7.017 2.982 4.991 161 HA ASP 21 HA ASP 21 -6.619 2.222 7.091 162 1HB ASP 21 1HB ASP 21 -7.083 5.135 7.734 163 2HB ASP 21 2HB ASP 21 -6.581 3.950 8.938 164 H GLU 22 H GLU 22 -9.554 2.857 6.017 165 HA GLU 22 HA GLU 22 -10.926 2.482 8.585 166 1HB GLU 22 1HB GLU 22 -12.026 3.137 5.846 167 2HB GLU 22 2HB GLU 22 -12.996 2.950 7.301 168 1HG GLU 22 1HG GLU 22 -11.813 4.838 8.319 169 2HG GLU 22 2HG GLU 22 -10.872 5.033 6.842 170 H ALA 23 H ALA 23 -10.668 1.075 5.345 171 HA ALA 23 HA ALA 23 -11.928 -1.380 6.358 172 1HB ALA 23 1HB ALA 23 -12.307 -1.971 4.016 173 2HB ALA 23 2HB ALA 23 -11.505 -0.484 3.510 174 3HB ALA 23 3HB ALA 23 -13.020 -0.407 4.409 175 H PHE 24 H PHE 24 -8.991 -0.212 6.297 176 HA PHE 24 HA PHE 24 -7.425 -1.981 4.810 177 1HB PHE 24 1HB PHE 24 -6.783 0.206 6.051 178 2HB PHE 24 2HB PHE 24 -6.484 -0.860 7.423 179 HD1 PHE 24 HD1 PHE 24 -5.106 0.575 4.523 180 HD2 PHE 24 HD2 PHE 24 -4.979 -2.919 6.944 181 HE1 PHE 24 HE1 PHE 24 -2.907 0.011 3.590 182 HE2 PHE 24 HE2 PHE 24 -2.779 -3.488 6.021 183 HZ PHE 24 HZ PHE 24 -1.738 -2.023 4.340 184 H GLU 25 H GLU 25 -8.598 -2.240 8.160 185 HA GLU 25 HA GLU 25 -7.120 -4.515 8.845 186 1HB GLU 25 1HB GLU 25 -9.649 -4.735 10.090 187 2HB GLU 25 2HB GLU 25 -8.121 -4.242 10.803 188 1HG GLU 25 1HG GLU 25 -8.553 -1.935 10.247 189 2HG GLU 25 2HG GLU 25 -10.035 -2.384 9.406 190 HA PRO 26 HA PRO 26 -11.122 -7.133 7.440 191 1HB PRO 26 1HB PRO 26 -11.758 -5.390 5.115 192 2HB PRO 26 2HB PRO 26 -12.842 -6.322 6.152 193 1HG PRO 26 1HG PRO 26 -12.576 -3.635 6.335 194 2HG PRO 26 2HG PRO 26 -12.985 -4.662 7.718 195 1HD PRO 26 1HD PRO 26 -10.485 -3.235 7.115 196 2HD PRO 26 2HD PRO 26 -11.095 -3.835 8.664 197 H LEU 27 H LEU 27 -8.935 -5.209 5.580 198 HA LEU 27 HA LEU 27 -8.537 -7.103 3.459 199 1HB LEU 27 1HB LEU 27 -8.106 -5.039 2.635 200 2HB LEU 27 2HB LEU 27 -7.715 -4.393 4.220 201 HG LEU 27 HG LEU 27 -5.472 -5.580 3.976 202 1HD1 LEU 27 1HD1 LEU 27 -6.290 -5.615 1.076 203 2HD1 LEU 27 2HD1 LEU 27 -6.159 -7.040 2.106 204 3HD1 LEU 27 3HD1 LEU 27 -4.724 -6.083 1.738 205 1HD2 LEU 27 1HD2 LEU 27 -6.260 -3.274 2.210 206 2HD2 LEU 27 2HD2 LEU 27 -4.590 -3.752 2.513 207 3HD2 LEU 27 3HD2 LEU 27 -5.606 -3.206 3.847 208 H LEU 28 H LEU 28 -6.980 -6.118 6.429 209 HA LEU 28 HA LEU 28 -4.647 -7.751 6.117 210 1HB LEU 28 1HB LEU 28 -4.303 -5.881 7.460 211 2HB LEU 28 2HB LEU 28 -5.834 -6.070 8.289 212 HG LEU 28 HG LEU 28 -4.809 -8.156 9.365 213 1HD1 LEU 28 1HD1 LEU 28 -2.333 -6.862 8.245 214 2HD1 LEU 28 2HD1 LEU 28 -2.918 -8.500 7.955 215 3HD1 LEU 28 3HD1 LEU 28 -2.326 -8.046 9.551 216 1HD2 LEU 28 1HD2 LEU 28 -5.220 -6.173 10.640 217 2HD2 LEU 28 2HD2 LEU 28 -3.790 -5.388 9.972 218 3HD2 LEU 28 3HD2 LEU 28 -3.612 -6.771 11.052 219 H GLU 29 H GLU 29 -7.850 -8.174 7.326 220 HA GLU 29 HA GLU 29 -7.368 -10.349 9.071 221 1HB GLU 29 1HB GLU 29 -9.854 -9.391 7.660 222 2HB GLU 29 2HB GLU 29 -9.851 -10.756 8.768 223 1HG GLU 29 1HG GLU 29 -9.017 -9.284 10.549 224 2HG GLU 29 2HG GLU 29 -9.091 -7.921 9.434 225 H SER 30 H SER 30 -8.313 -10.094 5.677 226 HA SER 30 HA SER 30 -8.699 -12.853 5.220 227 1HB SER 30 1HB SER 30 -8.014 -10.643 3.271 228 2HB SER 30 2HB SER 30 -8.578 -12.252 2.822 229 HG SER 30 HG SER 30 -10.237 -10.596 2.938 230 H LEU 31 H LEU 31 -5.861 -11.082 5.732 231 HA LEU 31 HA LEU 31 -4.090 -12.499 4.026 232 1HB LEU 31 1HB LEU 31 -3.621 -10.908 6.541 233 2HB LEU 31 2HB LEU 31 -2.322 -11.621 5.606 234 HG LEU 31 HG LEU 31 -4.261 -9.537 4.592 235 1HD1 LEU 31 1HD1 LEU 31 -2.316 -8.047 4.623 236 2HD1 LEU 31 2HD1 LEU 31 -1.358 -9.323 5.375 237 3HD1 LEU 31 3HD1 LEU 31 -2.727 -8.623 6.237 238 1HD2 LEU 31 1HD2 LEU 31 -2.777 -9.427 2.650 239 2HD2 LEU 31 2HD2 LEU 31 -3.498 -11.028 2.821 240 3HD2 LEU 31 3HD2 LEU 31 -1.822 -10.758 3.303 241 H SER 32 H SER 32 -5.815 -13.537 6.673 242 HA SER 32 HA SER 32 -3.808 -15.578 7.359 243 1HB SER 32 1HB SER 32 -5.066 -15.892 9.456 244 2HB SER 32 2HB SER 32 -4.534 -14.221 9.270 245 HG SER 32 HG SER 32 -7.118 -15.306 9.024 246 H ASN 33 H ASN 33 -6.184 -15.268 5.266 247 HA ASN 33 HA ASN 33 -7.931 -17.428 5.823 248 1HB ASN 33 1HB ASN 33 -8.778 -17.131 3.622 249 2HB ASN 33 2HB ASN 33 -8.345 -15.525 4.197 250 1HD2 ASN 33 1HD2 ASN 33 -5.503 -15.911 3.844 251 2HD2 ASN 33 2HD2 ASN 33 -5.210 -15.862 2.145 252 H GLU 34 H GLU 34 -8.012 -19.509 4.889 253 HA GLU 34 HA GLU 34 -5.556 -20.866 4.788 254 1HB GLU 34 1HB GLU 34 -7.760 -21.847 5.445 255 2HB GLU 34 2HB GLU 34 -8.229 -21.818 3.751 256 1HG GLU 34 1HG GLU 34 -6.395 -23.317 3.210 257 2HG GLU 34 2HG GLU 34 -5.905 -23.332 4.902 258 H ASP 35 H ASP 35 -7.578 -19.466 2.303 259 HA ASP 35 HA ASP 35 -6.273 -20.780 0.114 260 1HB ASP 35 1HB ASP 35 -8.104 -18.376 0.214 261 2HB ASP 35 2HB ASP 35 -7.526 -19.114 -1.276 262 H TRP 36 H TRP 36 -4.906 -19.804 -1.458 263 HA TRP 36 HA TRP 36 -3.199 -17.709 -0.321 264 1HB TRP 36 1HB TRP 36 -1.610 -18.450 -2.177 265 2HB TRP 36 2HB TRP 36 -1.898 -19.598 -0.874 266 HD1 TRP 36 HD1 TRP 36 -2.933 -18.972 -4.543 267 HE1 TRP 36 HE1 TRP 36 -3.576 -21.236 -5.586 268 HE3 TRP 36 HE3 TRP 36 -2.584 -21.921 -0.381 269 HZ2 TRP 36 HZ2 TRP 36 -3.892 -23.908 -4.762 270 HZ3 TRP 36 HZ3 TRP 36 -3.073 -24.323 -0.597 271 HH2 TRP 36 HH2 TRP 36 -3.714 -25.290 -2.745 272 H ARG 37 H ARG 37 -5.182 -18.467 -3.118 273 HA ARG 37 HA ARG 37 -4.398 -16.399 -4.814 274 1HB ARG 37 1HB ARG 37 -5.863 -18.289 -5.470 275 2HB ARG 37 2HB ARG 37 -7.163 -17.590 -4.514 276 1HG ARG 37 1HG ARG 37 -7.135 -15.603 -5.942 277 2HG ARG 37 2HG ARG 37 -5.850 -16.329 -6.909 278 1HD ARG 37 1HD ARG 37 -7.338 -18.180 -7.496 279 2HD ARG 37 2HD ARG 37 -8.620 -17.462 -6.522 280 HE ARG 37 HE ARG 37 -7.928 -15.504 -8.296 281 1HH1 ARG 37 1HH1 ARG 37 -8.995 -18.813 -8.570 282 2HH1 ARG 37 2HH1 ARG 37 -9.766 -18.570 -10.102 283 1HH2 ARG 37 1HH2 ARG 37 -8.940 -15.180 -10.311 284 2HH2 ARG 37 2HH2 ARG 37 -9.734 -16.506 -11.093 285 H ILE 38 H ILE 38 -7.038 -16.482 -2.420 286 HA ILE 38 HA ILE 38 -7.847 -13.806 -2.771 287 HB ILE 38 HB ILE 38 -8.088 -15.526 -0.297 288 1HG1 ILE 38 1HG1 ILE 38 -10.088 -15.040 -2.514 289 2HG1 ILE 38 2HG1 ILE 38 -9.110 -16.495 -2.353 290 1HG2 ILE 38 1HG2 ILE 38 -9.942 -14.027 0.303 291 2HG2 ILE 38 2HG2 ILE 38 -9.567 -13.023 -1.097 292 3HG2 ILE 38 3HG2 ILE 38 -8.401 -13.174 0.217 293 1HD1 ILE 38 1HD1 ILE 38 -11.368 -16.837 -1.521 294 2HD1 ILE 38 2HD1 ILE 38 -11.152 -15.520 -0.368 295 3HD1 ILE 38 3HD1 ILE 38 -10.183 -16.987 -0.224 296 H ARG 39 H ARG 39 -5.482 -15.321 -0.630 297 HA ARG 39 HA ARG 39 -4.869 -13.064 0.931 298 1HB ARG 39 1HB ARG 39 -4.087 -15.686 0.922 299 2HB ARG 39 2HB ARG 39 -2.628 -14.888 0.354 300 1HG ARG 39 1HG ARG 39 -4.019 -13.848 2.779 301 2HG ARG 39 2HG ARG 39 -3.010 -15.290 2.898 302 1HD ARG 39 1HD ARG 39 -2.080 -12.670 1.738 303 2HD ARG 39 2HD ARG 39 -1.837 -13.143 3.419 304 HE ARG 39 HE ARG 39 -0.797 -14.835 1.256 305 1HH1 ARG 39 1HH1 ARG 39 -0.268 -12.805 4.040 306 2HH1 ARG 39 2HH1 ARG 39 1.405 -13.228 4.190 307 1HH2 ARG 39 1HH2 ARG 39 1.407 -15.391 1.445 308 2HH2 ARG 39 2HH2 ARG 39 2.356 -14.694 2.714 309 H GLY 40 H GLY 40 -4.060 -13.940 -2.301 310 1HA GLY 40 1HA GLY 40 -1.737 -12.304 -2.581 311 2HA GLY 40 2HA GLY 40 -2.694 -12.984 -3.890 312 H ALA 41 H ALA 41 -5.030 -11.893 -3.894 313 HA ALA 41 HA ALA 41 -4.835 -9.385 -4.931 314 1HB ALA 41 1HB ALA 41 -7.260 -9.123 -4.410 315 2HB ALA 41 2HB ALA 41 -7.162 -10.601 -3.452 316 3HB ALA 41 3HB ALA 41 -6.849 -10.652 -5.186 317 H ALA 42 H ALA 42 -5.192 -10.272 -1.545 318 HA ALA 42 HA ALA 42 -5.732 -7.755 -0.466 319 1HB ALA 42 1HB ALA 42 -5.899 -9.841 0.812 320 2HB ALA 42 2HB ALA 42 -4.893 -8.652 1.639 321 3HB ALA 42 3HB ALA 42 -4.144 -9.998 0.779 322 H ALA 43 H ALA 43 -2.621 -9.384 -1.004 323 HA ALA 43 HA ALA 43 -0.983 -7.247 -0.116 324 1HB ALA 43 1HB ALA 43 -0.329 -9.438 -2.092 325 2HB ALA 43 2HB ALA 43 -0.201 -9.574 -0.339 326 3HB ALA 43 3HB ALA 43 0.829 -8.439 -1.214 327 H TRP 44 H TRP 44 -2.539 -8.038 -3.127 328 HA TRP 44 HA TRP 44 -1.080 -6.313 -4.828 329 1HB TRP 44 1HB TRP 44 -3.665 -7.795 -5.001 330 2HB TRP 44 2HB TRP 44 -3.325 -6.557 -6.200 331 HD1 TRP 44 HD1 TRP 44 -1.591 -9.729 -4.785 332 HE1 TRP 44 HE1 TRP 44 -0.311 -10.855 -6.710 333 HE3 TRP 44 HE3 TRP 44 -2.536 -6.331 -8.485 334 HZ2 TRP 44 HZ2 TRP 44 0.227 -10.372 -9.435 335 HZ3 TRP 44 HZ3 TRP 44 -1.604 -6.739 -10.725 336 HH2 TRP 44 HH2 TRP 44 -0.251 -8.719 -11.189 337 H ILE 45 H ILE 45 -3.867 -5.852 -2.750 338 HA ILE 45 HA ILE 45 -4.281 -3.148 -3.804 339 HB ILE 45 HB ILE 45 -5.954 -4.594 -1.747 340 1HG1 ILE 45 1HG1 ILE 45 -6.610 -4.320 -4.677 341 2HG1 ILE 45 2HG1 ILE 45 -5.750 -5.721 -4.046 342 1HG2 ILE 45 1HG2 ILE 45 -6.184 -2.150 -1.795 343 2HG2 ILE 45 2HG2 ILE 45 -7.656 -2.962 -2.323 344 3HG2 ILE 45 3HG2 ILE 45 -6.579 -2.230 -3.513 345 1HD1 ILE 45 1HD1 ILE 45 -7.654 -6.146 -2.529 346 2HD1 ILE 45 2HD1 ILE 45 -8.078 -6.237 -4.238 347 3HD1 ILE 45 3HD1 ILE 45 -8.516 -4.812 -3.297 348 H ILE 46 H ILE 46 -2.886 -4.807 -1.152 349 HA ILE 46 HA ILE 46 -3.203 -2.935 0.903 350 HB ILE 46 HB ILE 46 -2.136 -5.390 0.811 351 1HG1 ILE 46 1HG1 ILE 46 -1.016 -3.750 3.001 352 2HG1 ILE 46 2HG1 ILE 46 -2.756 -3.602 2.740 353 1HG2 ILE 46 1HG2 ILE 46 -0.080 -4.571 -0.314 354 2HG2 ILE 46 2HG2 ILE 46 0.224 -5.389 1.219 355 3HG2 ILE 46 3HG2 ILE 46 0.284 -3.628 1.133 356 1HD1 ILE 46 1HD1 ILE 46 -3.017 -5.999 2.996 357 2HD1 ILE 46 2HD1 ILE 46 -2.218 -5.300 4.405 358 3HD1 ILE 46 3HD1 ILE 46 -1.275 -6.179 3.200 359 H GLY 47 H GLY 47 -0.746 -3.153 -1.644 360 1HA GLY 47 1HA GLY 47 0.880 -1.054 -0.591 361 2HA GLY 47 2HA GLY 47 0.976 -1.730 -2.209 362 H ASN 48 H ASN 48 -1.970 -1.099 -2.547 363 HA ASN 48 HA ASN 48 -1.601 1.427 -3.798 364 1HB ASN 48 1HB ASN 48 -4.167 -0.084 -3.270 365 2HB ASN 48 2HB ASN 48 -3.966 1.245 -4.407 366 1HD2 ASN 48 1HD2 ASN 48 -4.567 0.026 -6.174 367 2HD2 ASN 48 2HD2 ASN 48 -3.569 -1.224 -6.831 368 H PHE 49 H PHE 49 -1.876 0.814 -0.615 369 HA PHE 49 HA PHE 49 -3.608 3.109 -0.040 370 1HB PHE 49 1HB PHE 49 -2.597 0.838 1.659 371 2HB PHE 49 2HB PHE 49 -3.320 2.275 2.372 372 HD1 PHE 49 HD1 PHE 49 -5.689 2.834 1.875 373 HD2 PHE 49 HD2 PHE 49 -3.925 -0.845 0.666 374 HE1 PHE 49 HE1 PHE 49 -7.930 1.870 1.556 375 HE2 PHE 49 HE2 PHE 49 -6.162 -1.816 0.343 376 HZ PHE 49 HZ PHE 49 -8.168 -0.458 0.788 377 H GLN 50 H GLN 50 -0.296 2.042 0.140 378 HA GLN 50 HA GLN 50 1.638 3.077 0.750 379 1HB GLN 50 1HB GLN 50 -0.089 5.464 0.120 380 2HB GLN 50 2HB GLN 50 1.598 5.628 0.593 381 1HG GLN 50 1HG GLN 50 1.966 5.526 -1.610 382 2HG GLN 50 2HG GLN 50 1.821 3.786 -1.344 383 1HE2 GLN 50 1HE2 GLN 50 0.230 6.652 -2.526 384 2HE2 GLN 50 2HE2 GLN 50 -1.013 5.839 -3.409 385 H ASP 51 H ASP 51 -0.241 2.324 2.789 386 HA ASP 51 HA ASP 51 0.207 4.361 4.856 387 1HB ASP 51 1HB ASP 51 -2.116 3.445 4.435 388 2HB ASP 51 2HB ASP 51 -1.538 1.904 5.064 389 H GLU 52 H GLU 52 0.785 3.575 7.039 390 HA GLU 52 HA GLU 52 3.164 2.082 7.005 391 1HB GLU 52 1HB GLU 52 2.970 2.137 9.489 392 2HB GLU 52 2HB GLU 52 2.771 3.714 8.737 393 1HG GLU 52 1HG GLU 52 0.361 3.548 8.977 394 2HG GLU 52 2HG GLU 52 0.530 1.941 9.682 395 H ARG 53 H ARG 53 -0.155 1.210 7.612 396 HA ARG 53 HA ARG 53 0.288 -1.368 8.701 397 1HB ARG 53 1HB ARG 53 -1.859 0.252 8.433 398 2HB ARG 53 2HB ARG 53 -2.159 -0.859 7.111 399 1HG ARG 53 1HG ARG 53 -2.054 -1.421 10.048 400 2HG ARG 53 2HG ARG 53 -3.338 -1.730 8.890 401 1HD ARG 53 1HD ARG 53 -2.269 -3.594 7.998 402 2HD ARG 53 2HD ARG 53 -0.700 -3.123 8.651 403 HE ARG 53 HE ARG 53 -2.790 -3.787 10.566 404 1HH1 ARG 53 1HH1 ARG 53 0.075 -4.768 8.841 405 2HH1 ARG 53 2HH1 ARG 53 0.472 -6.031 9.959 406 1HH2 ARG 53 1HH2 ARG 53 -2.272 -5.443 12.045 407 2HH2 ARG 53 2HH2 ARG 53 -0.863 -6.415 11.779 408 H ALA 54 H ALA 54 0.592 -0.087 5.593 409 HA ALA 54 HA ALA 54 0.213 -2.655 4.239 410 1HB ALA 54 1HB ALA 54 0.717 0.096 3.107 411 2HB ALA 54 2HB ALA 54 -0.844 -0.718 3.210 412 3HB ALA 54 3HB ALA 54 0.420 -1.364 2.163 413 H VAL 55 H VAL 55 2.593 -0.960 5.754 414 HA VAL 55 HA VAL 55 4.774 -1.440 3.971 415 HB VAL 55 HB VAL 55 4.741 -0.716 6.903 416 1HG1 VAL 55 1HG1 VAL 55 7.000 -0.772 4.919 417 2HG1 VAL 55 2HG1 VAL 55 6.834 -1.755 6.372 418 3HG1 VAL 55 3HG1 VAL 55 7.080 -0.014 6.508 419 1HG2 VAL 55 1HG2 VAL 55 3.724 0.993 5.528 420 2HG2 VAL 55 2HG2 VAL 55 5.098 0.963 4.423 421 3HG2 VAL 55 3HG2 VAL 55 5.308 1.540 6.076 422 H GLU 56 H GLU 56 3.604 -2.973 6.959 423 HA GLU 56 HA GLU 56 5.671 -4.854 7.204 424 1HB GLU 56 1HB GLU 56 4.179 -4.367 9.054 425 2HB GLU 56 2HB GLU 56 2.813 -5.023 8.164 426 1HG GLU 56 1HG GLU 56 3.644 -7.224 8.313 427 2HG GLU 56 2HG GLU 56 5.226 -6.669 8.861 428 HA PRO 57 HA PRO 57 2.388 -7.905 4.914 429 1HB PRO 57 1HB PRO 57 1.769 -5.764 2.921 430 2HB PRO 57 2HB PRO 57 0.779 -7.131 3.447 431 1HG PRO 57 1HG PRO 57 0.312 -4.683 4.378 432 2HG PRO 57 2HG PRO 57 0.172 -6.102 5.431 433 1HD PRO 57 1HD PRO 57 2.267 -4.004 5.351 434 2HD PRO 57 2HD PRO 57 1.707 -4.991 6.713 435 H LEU 58 H LEU 58 3.857 -5.321 2.940 436 HA LEU 58 HA LEU 58 4.819 -6.927 0.906 437 1HB LEU 58 1HB LEU 58 6.327 -4.519 1.875 438 2HB LEU 58 2HB LEU 58 6.160 -5.113 0.234 439 HG LEU 58 HG LEU 58 4.100 -3.673 1.888 440 1HD1 LEU 58 1HD1 LEU 58 5.720 -2.259 0.775 441 2HD1 LEU 58 2HD1 LEU 58 4.134 -2.094 0.023 442 3HD1 LEU 58 3HD1 LEU 58 5.385 -3.058 -0.761 443 1HD2 LEU 58 1HD2 LEU 58 2.565 -3.957 -0.014 444 2HD2 LEU 58 2HD2 LEU 58 2.958 -5.489 0.766 445 3HD2 LEU 58 3HD2 LEU 58 3.723 -5.056 -0.762 446 H ILE 59 H ILE 59 6.297 -6.178 4.021 447 HA ILE 59 HA ILE 59 8.860 -7.165 3.514 448 HB ILE 59 HB ILE 59 7.353 -7.181 6.127 449 1HG1 ILE 59 1HG1 ILE 59 7.527 -4.945 5.092 450 2HG1 ILE 59 2HG1 ILE 59 8.476 -5.060 6.570 451 1HG2 ILE 59 1HG2 ILE 59 9.628 -7.161 7.137 452 2HG2 ILE 59 2HG2 ILE 59 10.291 -7.473 5.532 453 3HG2 ILE 59 3HG2 ILE 59 9.227 -8.657 6.293 454 1HD1 ILE 59 1HD1 ILE 59 9.639 -5.360 3.815 455 2HD1 ILE 59 2HD1 ILE 59 10.507 -5.192 5.341 456 3HD1 ILE 59 3HD1 ILE 59 9.577 -3.837 4.701 457 H LYS 60 H LYS 60 6.243 -8.859 5.257 458 HA LYS 60 HA LYS 60 7.603 -11.360 5.242 459 1HB LYS 60 1HB LYS 60 5.813 -10.536 6.877 460 2HB LYS 60 2HB LYS 60 4.643 -10.993 5.649 461 1HG LYS 60 1HG LYS 60 4.790 -12.784 7.195 462 2HG LYS 60 2HG LYS 60 5.595 -13.303 5.713 463 1HD LYS 60 1HD LYS 60 6.935 -13.979 7.589 464 2HD LYS 60 2HD LYS 60 7.771 -12.672 6.747 465 1HE LYS 60 1HE LYS 60 7.882 -12.356 9.159 466 2HE LYS 60 2HE LYS 60 6.935 -11.075 8.403 467 1HZ LYS 60 1HZ LYS 60 5.903 -11.927 10.435 468 2HZ LYS 60 2HZ LYS 60 5.795 -13.467 9.745 469 3HZ LYS 60 3HZ LYS 60 4.918 -12.181 9.082 470 H LEU 61 H LEU 61 5.883 -9.756 2.829 471 HA LEU 61 HA LEU 61 4.834 -12.157 1.575 472 1HB LEU 61 1HB LEU 61 4.564 -9.236 1.167 473 2HB LEU 61 2HB LEU 61 4.313 -10.268 -0.225 474 HG LEU 61 HG LEU 61 2.400 -11.215 0.644 475 1HD1 LEU 61 1HD1 LEU 61 1.750 -11.006 3.066 476 2HD1 LEU 61 2HD1 LEU 61 3.380 -10.407 3.369 477 3HD1 LEU 61 3HD1 LEU 61 3.142 -12.036 2.739 478 1HD2 LEU 61 1HD2 LEU 61 2.080 -8.833 0.170 479 2HD2 LEU 61 2HD2 LEU 61 2.416 -8.463 1.860 480 3HD2 LEU 61 3HD2 LEU 61 0.993 -9.411 1.433 481 H LEU 62 H LEU 62 7.363 -9.761 0.907 482 HA LEU 62 HA LEU 62 7.994 -10.698 -1.685 483 1HB LEU 62 1HB LEU 62 9.720 -9.226 0.307 484 2HB LEU 62 2HB LEU 62 10.082 -9.425 -1.399 485 HG LEU 62 HG LEU 62 7.505 -8.136 -0.590 486 1HD1 LEU 62 1HD1 LEU 62 9.389 -7.056 0.681 487 2HD1 LEU 62 2HD1 LEU 62 8.514 -5.992 -0.419 488 3HD1 LEU 62 3HD1 LEU 62 10.094 -6.622 -0.876 489 1HD2 LEU 62 1HD2 LEU 62 7.790 -8.657 -2.916 490 2HD2 LEU 62 2HD2 LEU 62 9.378 -7.889 -2.942 491 3HD2 LEU 62 3HD2 LEU 62 7.928 -6.911 -2.711 492 H GLU 63 H GLU 63 8.408 -12.104 1.306 493 HA GLU 63 HA GLU 63 10.588 -13.806 0.304 494 1HB GLU 63 1HB GLU 63 10.998 -14.308 2.732 495 2HB GLU 63 2HB GLU 63 11.350 -12.664 2.237 496 1HG GLU 63 1HG GLU 63 9.227 -11.922 3.176 497 2HG GLU 63 2HG GLU 63 8.869 -13.576 3.671 498 H ASP 64 H ASP 64 7.325 -13.662 1.096 499 HA ASP 64 HA ASP 64 6.831 -16.201 2.153 500 1HB ASP 64 1HB ASP 64 5.292 -14.023 1.569 501 2HB ASP 64 2HB ASP 64 4.759 -15.177 0.350 502 H ASP 65 H ASP 65 7.315 -15.125 -1.087 503 HA ASP 65 HA ASP 65 7.573 -16.210 -3.077 504 1HB ASP 65 1HB ASP 65 8.197 -18.487 -1.188 505 2HB ASP 65 2HB ASP 65 8.357 -18.617 -2.937 506 H SER 66 H SER 66 4.960 -16.038 -1.791 507 HA SER 66 HA SER 66 3.568 -18.488 -2.368 508 1HB SER 66 1HB SER 66 2.763 -15.748 -1.450 509 2HB SER 66 2HB SER 66 1.549 -16.922 -1.940 510 HG SER 66 HG SER 66 2.896 -18.325 -0.381 511 H GLY 67 H GLY 67 4.950 -16.548 -4.465 512 1HA GLY 67 1HA GLY 67 4.640 -16.195 -6.718 513 2HA GLY 67 2HA GLY 67 3.260 -17.278 -6.628 514 H PHE 68 H PHE 68 1.198 -16.389 -5.979 515 HA PHE 68 HA PHE 68 0.579 -13.960 -7.254 516 1HB PHE 68 1HB PHE 68 -0.931 -15.996 -6.562 517 2HB PHE 68 2HB PHE 68 -1.150 -15.086 -5.074 518 HD1 PHE 68 HD1 PHE 68 -2.964 -15.931 -7.611 519 HD2 PHE 68 HD2 PHE 68 -1.322 -12.295 -6.104 520 HE1 PHE 68 HE1 PHE 68 -4.781 -14.669 -8.680 521 HE2 PHE 68 HE2 PHE 68 -3.139 -11.035 -7.175 522 HZ PHE 68 HZ PHE 68 -4.870 -12.218 -8.464 523 H VAL 69 H VAL 69 0.868 -14.790 -3.812 524 HA VAL 69 HA VAL 69 0.390 -12.131 -2.911 525 HB VAL 69 HB VAL 69 1.835 -14.130 -1.228 526 1HG1 VAL 69 1HG1 VAL 69 1.237 -11.784 -0.491 527 2HG1 VAL 69 2HG1 VAL 69 0.697 -13.094 0.557 528 3HG1 VAL 69 3HG1 VAL 69 -0.448 -12.304 -0.526 529 1HG2 VAL 69 1HG2 VAL 69 -0.321 -15.169 -0.643 530 2HG2 VAL 69 2HG2 VAL 69 0.115 -15.445 -2.329 531 3HG2 VAL 69 3HG2 VAL 69 -1.102 -14.235 -1.918 532 H ARG 70 H ARG 70 3.322 -14.086 -3.326 533 HA ARG 70 HA ARG 70 5.143 -12.252 -2.257 534 1HB ARG 70 1HB ARG 70 5.556 -14.677 -2.916 535 2HB ARG 70 2HB ARG 70 5.732 -14.102 -4.567 536 1HG ARG 70 1HG ARG 70 7.389 -12.936 -2.360 537 2HG ARG 70 2HG ARG 70 7.838 -14.458 -3.128 538 1HD ARG 70 1HD ARG 70 7.514 -11.770 -4.447 539 2HD ARG 70 2HD ARG 70 9.005 -12.686 -4.235 540 HE ARG 70 HE ARG 70 6.800 -13.453 -6.034 541 1HH1 ARG 70 1HH1 ARG 70 10.163 -13.513 -5.120 542 2HH1 ARG 70 2HH1 ARG 70 10.663 -14.381 -6.533 543 1HH2 ARG 70 1HH2 ARG 70 7.450 -14.597 -7.893 544 2HH2 ARG 70 2HH2 ARG 70 9.121 -14.997 -8.109 545 H SER 71 H SER 71 4.055 -12.696 -5.610 546 HA SER 71 HA SER 71 5.581 -10.566 -6.682 547 1HB SER 71 1HB SER 71 3.079 -11.917 -7.715 548 2HB SER 71 2HB SER 71 4.041 -10.766 -8.641 549 HG SER 71 HG SER 71 5.610 -12.212 -8.851 550 H GLY 72 H GLY 72 2.344 -10.781 -5.328 551 1HA GLY 72 1HA GLY 72 1.322 -8.313 -6.128 552 2HA GLY 72 2HA GLY 72 0.864 -9.160 -4.660 553 H ALA 73 H ALA 73 3.608 -9.080 -3.604 554 HA ALA 73 HA ALA 73 3.430 -6.482 -2.371 555 1HB ALA 73 1HB ALA 73 5.163 -7.240 -0.904 556 2HB ALA 73 2HB ALA 73 5.556 -8.582 -1.978 557 3HB ALA 73 3HB ALA 73 4.013 -8.560 -1.124 558 H ALA 74 H ALA 74 5.616 -8.155 -4.576 559 HA ALA 74 HA ALA 74 7.747 -6.427 -4.684 560 1HB ALA 74 1HB ALA 74 6.471 -7.981 -6.928 561 2HB ALA 74 2HB ALA 74 7.781 -8.509 -5.873 562 3HB ALA 74 3HB ALA 74 8.049 -7.203 -7.027 563 H ARG 75 H ARG 75 4.701 -6.190 -6.486 564 HA ARG 75 HA ARG 75 5.451 -3.828 -7.892 565 1HB ARG 75 1HB ARG 75 2.937 -3.726 -8.358 566 2HB ARG 75 2HB ARG 75 3.811 -5.133 -8.947 567 1HG ARG 75 1HG ARG 75 3.047 -6.382 -6.944 568 2HG ARG 75 2HG ARG 75 2.071 -4.982 -6.496 569 1HD ARG 75 1HD ARG 75 0.913 -6.871 -7.772 570 2HD ARG 75 2HD ARG 75 0.666 -5.222 -8.352 571 HE ARG 75 HE ARG 75 1.817 -5.753 -10.272 572 1HH1 ARG 75 1HH1 ARG 75 2.233 -8.291 -7.923 573 2HH1 ARG 75 2HH1 ARG 75 2.979 -9.382 -9.043 574 1HH2 ARG 75 1HH2 ARG 75 2.800 -7.179 -11.754 575 2HH2 ARG 75 2HH2 ARG 75 3.302 -8.749 -11.220 576 H SER 76 H SER 76 4.057 -4.445 -4.783 577 HA SER 76 HA SER 76 2.809 -1.939 -4.386 578 1HB SER 76 1HB SER 76 3.901 -3.862 -2.326 579 2HB SER 76 2HB SER 76 2.767 -2.547 -2.014 580 HG SER 76 HG SER 76 1.374 -3.643 -3.589 581 H LEU 77 H LEU 77 6.102 -3.082 -3.803 582 HA LEU 77 HA LEU 77 7.064 -1.008 -2.236 583 1HB LEU 77 1HB LEU 77 8.346 -2.752 -4.314 584 2HB LEU 77 2HB LEU 77 9.268 -1.486 -3.531 585 HG LEU 77 HG LEU 77 9.599 -3.720 -2.526 586 1HD1 LEU 77 1HD1 LEU 77 8.265 -1.772 -0.659 587 2HD1 LEU 77 2HD1 LEU 77 9.928 -1.643 -1.234 588 3HD1 LEU 77 3HD1 LEU 77 9.446 -3.012 -0.232 589 1HD2 LEU 77 1HD2 LEU 77 6.679 -3.460 -1.870 590 2HD2 LEU 77 2HD2 LEU 77 7.767 -4.577 -1.051 591 3HD2 LEU 77 3HD2 LEU 77 7.475 -4.741 -2.783 592 H GLU 78 H GLU 78 7.378 -1.257 -5.781 593 HA GLU 78 HA GLU 78 8.244 1.393 -6.148 594 1HB GLU 78 1HB GLU 78 7.663 1.015 -8.543 595 2HB GLU 78 2HB GLU 78 8.667 -0.251 -7.850 596 1HG GLU 78 1HG GLU 78 6.778 -1.714 -7.643 597 2HG GLU 78 2HG GLU 78 5.683 -0.433 -8.157 598 H GLN 79 H GLN 79 5.089 0.019 -5.761 599 HA GLN 79 HA GLN 79 3.528 2.013 -6.969 600 1HB GLN 79 1HB GLN 79 3.061 -0.071 -4.898 601 2HB GLN 79 2HB GLN 79 1.872 1.216 -5.038 602 1HG GLN 79 1HG GLN 79 1.305 0.612 -7.220 603 2HG GLN 79 2HG GLN 79 2.760 -0.364 -7.423 604 1HE2 GLN 79 1HE2 GLN 79 0.871 -0.474 -4.507 605 2HE2 GLN 79 2HE2 GLN 79 0.230 -2.060 -4.742 606 H ILE 80 H ILE 80 4.763 1.722 -3.651 607 HA ILE 80 HA ILE 80 3.471 4.075 -2.712 608 HB ILE 80 HB ILE 80 5.900 2.692 -1.566 609 1HG1 ILE 80 1HG1 ILE 80 2.976 2.361 -0.856 610 2HG1 ILE 80 2HG1 ILE 80 3.905 1.218 -1.819 611 1HG2 ILE 80 1HG2 ILE 80 3.946 4.636 -0.339 612 2HG2 ILE 80 2HG2 ILE 80 5.642 4.945 -0.710 613 3HG2 ILE 80 3HG2 ILE 80 5.211 3.777 0.538 614 1HD1 ILE 80 1HD1 ILE 80 4.479 1.961 1.040 615 2HD1 ILE 80 2HD1 ILE 80 5.353 0.773 0.073 616 3HD1 ILE 80 3HD1 ILE 80 3.665 0.494 0.499 617 H GLY 81 H GLY 81 6.944 3.456 -3.318 618 1HA GLY 81 1HA GLY 81 8.597 4.849 -4.099 619 2HA GLY 81 2HA GLY 81 7.327 5.865 -4.757 620 H GLY 82 H GLY 82 9.759 5.612 -2.438 621 1HA GLY 82 1HA GLY 82 9.955 8.139 -1.618 622 2HA GLY 82 2HA GLY 82 8.609 7.587 -0.633 623 H GLU 83 H GLU 83 10.412 8.377 0.932 624 HA GLU 83 HA GLU 83 12.593 6.613 1.429 625 1HB GLU 83 1HB GLU 83 12.821 7.874 3.556 626 2HB GLU 83 2HB GLU 83 12.741 8.915 2.142 627 1HG GLU 83 1HG GLU 83 10.444 9.458 2.615 628 2HG GLU 83 2HG GLU 83 10.413 8.310 3.952 629 H ARG 84 H ARG 84 9.291 6.811 2.547 630 HA ARG 84 HA ARG 84 9.493 5.162 4.800 631 1HB ARG 84 1HB ARG 84 7.098 4.937 4.694 632 2HB ARG 84 2HB ARG 84 7.526 6.585 4.269 633 1HG ARG 84 1HG ARG 84 6.888 4.445 2.249 634 2HG ARG 84 2HG ARG 84 5.706 5.580 2.893 635 1HD ARG 84 1HD ARG 84 8.197 6.274 1.336 636 2HD ARG 84 2HD ARG 84 6.538 6.345 0.744 637 HE ARG 84 HE ARG 84 7.091 7.958 3.082 638 1HH1 ARG 84 1HH1 ARG 84 6.904 7.836 -0.399 639 2HH1 ARG 84 2HH1 ARG 84 6.705 9.548 -0.574 640 1HH2 ARG 84 1HH2 ARG 84 6.828 10.208 2.857 641 2HH2 ARG 84 2HH2 ARG 84 6.661 10.896 1.275 642 H VAL 85 H VAL 85 8.513 4.330 1.484 643 HA VAL 85 HA VAL 85 8.415 1.532 1.983 644 HB VAL 85 HB VAL 85 7.205 2.757 0.150 645 1HG1 VAL 85 1HG1 VAL 85 8.307 3.283 -1.890 646 2HG1 VAL 85 2HG1 VAL 85 9.820 2.580 -1.320 647 3HG1 VAL 85 3HG1 VAL 85 9.203 4.060 -0.585 648 1HG2 VAL 85 1HG2 VAL 85 8.868 0.379 -0.663 649 2HG2 VAL 85 2HG2 VAL 85 7.386 0.916 -1.451 650 3HG2 VAL 85 3HG2 VAL 85 7.338 0.325 0.210 651 H ARG 86 H ARG 86 10.891 3.765 1.169 652 HA ARG 86 HA ARG 86 12.757 2.134 -0.112 653 1HB ARG 86 1HB ARG 86 12.906 4.622 0.169 654 2HB ARG 86 2HB ARG 86 13.402 4.354 1.834 655 1HG ARG 86 1HG ARG 86 15.362 3.113 1.041 656 2HG ARG 86 2HG ARG 86 14.866 3.418 -0.625 657 1HD ARG 86 1HD ARG 86 15.501 5.552 1.409 658 2HD ARG 86 2HD ARG 86 16.618 4.973 0.174 659 HE ARG 86 HE ARG 86 14.174 5.848 -0.980 660 1HH1 ARG 86 1HH1 ARG 86 17.160 7.003 0.399 661 2HH1 ARG 86 2HH1 ARG 86 17.143 8.490 -0.486 662 1HH2 ARG 86 1HH2 ARG 86 14.147 7.806 -2.149 663 2HH2 ARG 86 2HH2 ARG 86 15.430 8.948 -1.934 664 H ALA 87 H ALA 87 11.818 2.276 3.223 665 HA ALA 87 HA ALA 87 14.123 0.882 4.226 666 1HB ALA 87 1HB ALA 87 12.778 2.455 5.603 667 2HB ALA 87 2HB ALA 87 12.980 0.866 6.341 668 3HB ALA 87 3HB ALA 87 11.453 1.290 5.567 669 H ALA 88 H ALA 88 11.026 0.051 2.923 670 HA ALA 88 HA ALA 88 10.875 -2.597 3.954 671 1HB ALA 88 1HB ALA 88 9.528 -1.498 1.493 672 2HB ALA 88 2HB ALA 88 8.925 -1.293 3.138 673 3HB ALA 88 3HB ALA 88 9.043 -2.907 2.436 674 H MET 89 H MET 89 11.922 -1.253 0.825 675 HA MET 89 HA MET 89 12.594 -3.792 -0.277 676 1HB MET 89 1HB MET 89 13.540 -2.587 -2.112 677 2HB MET 89 2HB MET 89 12.079 -1.751 -1.637 678 1HG MET 89 1HG MET 89 13.577 -0.042 -2.019 679 2HG MET 89 2HG MET 89 13.642 -0.238 -0.268 680 1HE MET 89 1HE MET 89 15.892 1.415 -1.400 681 2HE MET 89 2HE MET 89 17.345 0.637 -0.771 682 3HE MET 89 3HE MET 89 15.921 0.812 0.256 683 H GLU 90 H GLU 90 14.314 -1.366 1.557 684 HA GLU 90 HA GLU 90 16.938 -2.267 1.107 685 1HB GLU 90 1HB GLU 90 15.979 -0.121 2.311 686 2HB GLU 90 2HB GLU 90 16.144 -1.116 3.751 687 1HG GLU 90 1HG GLU 90 18.368 -0.488 1.825 688 2HG GLU 90 2HG GLU 90 18.080 0.345 3.350 689 H LYS 91 H LYS 91 14.512 -3.154 3.519 690 HA LYS 91 HA LYS 91 16.213 -4.927 4.961 691 1HB LYS 91 1HB LYS 91 14.193 -3.919 5.952 692 2HB LYS 91 2HB LYS 91 13.193 -4.843 4.840 693 1HG LYS 91 1HG LYS 91 13.179 -5.921 6.977 694 2HG LYS 91 2HG LYS 91 14.079 -6.928 5.841 695 1HD LYS 91 1HD LYS 91 16.185 -5.999 6.731 696 2HD LYS 91 2HD LYS 91 15.255 -5.064 7.904 697 1HE LYS 91 1HE LYS 91 15.416 -8.067 7.686 698 2HE LYS 91 2HE LYS 91 16.091 -7.058 8.965 699 1HZ LYS 91 1HZ LYS 91 13.840 -6.407 9.578 700 2HZ LYS 91 2HZ LYS 91 14.030 -8.085 9.665 701 3HZ LYS 91 3HZ LYS 91 13.201 -7.397 8.362 702 H LEU 92 H LEU 92 14.342 -5.231 2.054 703 HA LEU 92 HA LEU 92 14.338 -8.121 2.144 704 1HB LEU 92 1HB LEU 92 12.473 -7.577 1.002 705 2HB LEU 92 2HB LEU 92 13.101 -6.011 0.527 706 HG LEU 92 HG LEU 92 14.469 -7.224 -1.219 707 1HD1 LEU 92 1HD1 LEU 92 12.548 -9.469 -0.617 708 2HD1 LEU 92 2HD1 LEU 92 14.256 -9.470 -0.182 709 3HD1 LEU 92 3HD1 LEU 92 13.779 -9.435 -1.880 710 1HD2 LEU 92 1HD2 LEU 92 11.514 -7.584 -1.598 711 2HD2 LEU 92 2HD2 LEU 92 12.732 -7.125 -2.788 712 3HD2 LEU 92 3HD2 LEU 92 12.259 -5.987 -1.529 713 H ALA 93 H ALA 93 16.180 -5.511 0.764 714 HA ALA 93 HA ALA 93 17.607 -6.908 -1.207 715 1HB ALA 93 1HB ALA 93 18.489 -4.554 0.465 716 2HB ALA 93 2HB ALA 93 17.609 -4.476 -1.063 717 3HB ALA 93 3HB ALA 93 19.257 -5.102 -1.026 718 H GLU 94 H GLU 94 17.873 -6.839 2.243 719 HA GLU 94 HA GLU 94 20.531 -7.947 2.342 720 1HB GLU 94 1HB GLU 94 19.455 -6.460 4.109 721 2HB GLU 94 2HB GLU 94 18.512 -7.867 4.582 722 1HG GLU 94 1HG GLU 94 20.446 -7.576 6.012 723 2HG GLU 94 2HG GLU 94 20.552 -9.081 5.098 724 H THR 95 H THR 95 17.285 -9.105 2.198 725 HA THR 95 HA THR 95 18.232 -11.879 2.543 726 HB THR 95 HB THR 95 15.785 -12.401 3.010 727 HG1 THR 95 HG1 THR 95 14.401 -10.794 3.086 728 1HG2 THR 95 1HG2 THR 95 17.361 -12.409 4.824 729 2HG2 THR 95 2HG2 THR 95 15.902 -11.582 5.369 730 3HG2 THR 95 3HG2 THR 95 17.330 -10.648 4.923 731 H GLY 96 H GLY 96 18.110 -9.994 0.217 732 1HA GLY 96 1HA GLY 96 16.073 -10.572 -1.567 733 2HA GLY 96 2HA GLY 96 17.700 -10.100 -2.023 734 H THR 97 H THR 97 15.420 -12.365 -2.432 735 HA THR 97 HA THR 97 17.390 -14.314 -3.381 736 HB THR 97 HB THR 97 14.909 -15.117 -1.846 737 HG1 THR 97 HG1 THR 97 17.144 -15.922 -0.655 738 1HG2 THR 97 1HG2 THR 97 15.824 -17.363 -1.959 739 2HG2 THR 97 2HG2 THR 97 17.240 -16.769 -2.828 740 3HG2 THR 97 3HG2 THR 97 15.650 -16.708 -3.589 741 H GLY 98 H GLY 98 16.961 -14.985 -5.399 742 1HA GLY 98 1HA GLY 98 15.873 -15.279 -7.397 743 2HA GLY 98 2HA GLY 98 14.403 -15.471 -6.455 744 H PHE 99 H PHE 99 13.046 -14.338 -7.759 745 HA PHE 99 HA PHE 99 13.607 -11.862 -8.974 746 1HB PHE 99 1HB PHE 99 11.840 -13.099 -9.907 747 2HB PHE 99 2HB PHE 99 11.074 -13.357 -8.345 748 HD1 PHE 99 HD1 PHE 99 11.704 -10.876 -11.002 749 HD2 PHE 99 HD2 PHE 99 9.500 -11.813 -7.479 750 HE1 PHE 99 HE1 PHE 99 10.209 -8.970 -11.432 751 HE2 PHE 99 HE2 PHE 99 8.003 -9.910 -7.907 752 HZ PHE 99 HZ PHE 99 8.355 -8.485 -9.885 753 H ALA 100 H ALA 100 12.426 -12.696 -5.804 754 HA ALA 100 HA ALA 100 11.208 -10.342 -5.005 755 1HB ALA 100 1HB ALA 100 12.908 -12.144 -3.291 756 2HB ALA 100 2HB ALA 100 11.219 -12.433 -3.708 757 3HB ALA 100 3HB ALA 100 11.660 -11.029 -2.735 758 H ARG 101 H ARG 101 14.638 -11.081 -5.226 759 HA ARG 101 HA ARG 101 15.524 -8.817 -3.746 760 1HB ARG 101 1HB ARG 101 16.919 -10.802 -4.069 761 2HB ARG 101 2HB ARG 101 16.972 -10.477 -5.796 762 1HG ARG 101 1HG ARG 101 18.369 -8.652 -5.548 763 2HG ARG 101 2HG ARG 101 17.928 -8.419 -3.855 764 1HD ARG 101 1HD ARG 101 19.112 -10.468 -3.261 765 2HD ARG 101 2HD ARG 101 19.542 -10.718 -4.954 766 HE ARG 101 HE ARG 101 20.440 -8.184 -4.128 767 1HH1 ARG 101 1HH1 ARG 101 21.109 -11.567 -3.644 768 2HH1 ARG 101 2HH1 ARG 101 22.789 -11.319 -3.304 769 1HH2 ARG 101 1HH2 ARG 101 22.652 -7.845 -3.681 770 2HH2 ARG 101 2HH2 ARG 101 23.666 -9.203 -3.325 771 H LYS 102 H LYS 102 15.667 -9.490 -7.249 772 HA LYS 102 HA LYS 102 16.606 -7.102 -8.179 773 1HB LYS 102 1HB LYS 102 16.255 -8.894 -9.710 774 2HB LYS 102 2HB LYS 102 14.535 -8.952 -9.357 775 1HG LYS 102 1HG LYS 102 14.157 -6.891 -10.498 776 2HG LYS 102 2HG LYS 102 15.888 -6.615 -10.680 777 1HD LYS 102 1HD LYS 102 14.455 -8.981 -11.870 778 2HD LYS 102 2HD LYS 102 14.704 -7.462 -12.734 779 1HE LYS 102 1HE LYS 102 16.861 -9.251 -11.616 780 2HE LYS 102 2HE LYS 102 16.421 -9.094 -13.316 781 1HZ LYS 102 1HZ LYS 102 17.082 -6.766 -13.228 782 2HZ LYS 102 2HZ LYS 102 18.369 -7.775 -12.795 783 3HZ LYS 102 3HZ LYS 102 17.519 -6.931 -11.601 784 H VAL 103 H VAL 103 13.521 -7.748 -6.804 785 HA VAL 103 HA VAL 103 12.071 -5.553 -7.825 786 HB VAL 103 HB VAL 103 11.748 -7.303 -5.404 787 1HG1 VAL 103 1HG1 VAL 103 10.790 -5.188 -4.762 788 2HG1 VAL 103 2HG1 VAL 103 9.479 -6.298 -5.159 789 3HG1 VAL 103 3HG1 VAL 103 9.954 -5.047 -6.307 790 1HG2 VAL 103 1HG2 VAL 103 9.909 -8.242 -6.646 791 2HG2 VAL 103 2HG2 VAL 103 11.357 -8.252 -7.652 792 3HG2 VAL 103 3HG2 VAL 103 10.107 -7.038 -7.920 793 H ALA 104 H ALA 104 13.832 -5.994 -4.761 794 HA ALA 104 HA ALA 104 13.182 -3.480 -3.653 795 1HB ALA 104 1HB ALA 104 15.290 -3.969 -2.255 796 2HB ALA 104 2HB ALA 104 15.301 -5.519 -3.101 797 3HB ALA 104 3HB ALA 104 13.910 -5.055 -2.120 798 H VAL 105 H VAL 105 16.216 -4.606 -5.026 799 HA VAL 105 HA VAL 105 17.603 -2.203 -4.953 800 HB VAL 105 HB VAL 105 18.895 -3.402 -6.932 801 1HG1 VAL 105 1HG1 VAL 105 19.836 -2.983 -4.758 802 2HG1 VAL 105 2HG1 VAL 105 20.144 -4.663 -5.197 803 3HG1 VAL 105 3HG1 VAL 105 18.864 -4.272 -4.049 804 1HG2 VAL 105 1HG2 VAL 105 17.108 -5.088 -7.249 805 2HG2 VAL 105 2HG2 VAL 105 17.436 -5.687 -5.622 806 3HG2 VAL 105 3HG2 VAL 105 18.678 -5.797 -6.869 807 H ASN 106 H ASN 106 16.306 -3.731 -7.931 808 HA ASN 106 HA ASN 106 16.886 -1.599 -9.612 809 1HB ASN 106 1HB ASN 106 14.808 -3.764 -9.786 810 2HB ASN 106 2HB ASN 106 14.990 -2.553 -11.050 811 1HD2 ASN 106 1HD2 ASN 106 16.656 -5.093 -9.288 812 2HD2 ASN 106 2HD2 ASN 106 17.808 -5.449 -10.526 813 H TYR 107 H TYR 107 14.277 -1.905 -7.333 814 HA TYR 107 HA TYR 107 12.458 -0.107 -8.477 815 1HB TYR 107 1HB TYR 107 11.492 -1.185 -6.690 816 2HB TYR 107 2HB TYR 107 12.967 -1.145 -5.732 817 HD1 TYR 107 HD1 TYR 107 12.952 0.174 -3.876 818 HD2 TYR 107 HD2 TYR 107 10.507 1.294 -7.162 819 HE1 TYR 107 HE1 TYR 107 12.136 2.109 -2.597 820 HE2 TYR 107 HE2 TYR 107 9.676 3.231 -5.896 821 HH TYR 107 HH TYR 107 11.149 4.352 -3.093 822 H LEU 108 H LEU 108 15.346 0.352 -6.566 823 HA LEU 108 HA LEU 108 15.141 2.997 -5.818 824 1HB LEU 108 1HB LEU 108 17.490 1.294 -6.581 825 2HB LEU 108 2HB LEU 108 17.703 2.962 -6.098 826 HG LEU 108 HG LEU 108 16.373 0.873 -4.377 827 1HD1 LEU 108 1HD1 LEU 108 19.208 1.897 -4.350 828 2HD1 LEU 108 2HD1 LEU 108 18.677 0.251 -4.696 829 3HD1 LEU 108 3HD1 LEU 108 18.474 0.921 -3.077 830 1HD2 LEU 108 1HD2 LEU 108 15.680 3.140 -3.861 831 2HD2 LEU 108 2HD2 LEU 108 17.363 3.662 -3.789 832 3HD2 LEU 108 3HD2 LEU 108 16.740 2.526 -2.592 833 H GLU 109 H GLU 109 15.570 1.703 -8.986 834 HA GLU 109 HA GLU 109 16.811 3.904 -10.233 835 1HB GLU 109 1HB GLU 109 14.958 1.811 -11.374 836 2HB GLU 109 2HB GLU 109 15.882 2.953 -12.339 837 1HG GLU 109 1HG GLU 109 17.017 0.856 -10.502 838 2HG GLU 109 2HG GLU 109 16.972 0.791 -12.262 839 H THR 110 H THR 110 13.827 3.767 -8.773 840 HA THR 110 HA THR 110 12.773 5.926 -10.479 841 HB THR 110 HB THR 110 11.096 4.173 -8.687 842 HG1 THR 110 HG1 THR 110 12.274 3.166 -10.622 843 1HG2 THR 110 1HG2 THR 110 10.333 5.885 -11.053 844 2HG2 THR 110 2HG2 THR 110 10.202 6.399 -9.372 845 3HG2 THR 110 3HG2 THR 110 9.242 5.040 -9.954 846 H HIS 111 H HIS 111 12.907 4.728 -7.131 847 HA HIS 111 HA HIS 111 12.945 7.522 -6.221 848 1HB HIS 111 1HB HIS 111 11.248 5.285 -5.112 849 2HB HIS 111 2HB HIS 111 11.578 6.767 -4.220 850 HD1 HIS 111 HD1 HIS 111 10.369 8.901 -4.977 851 HD2 HIS 111 HD2 HIS 111 9.484 5.565 -7.290 852 HE1 HIS 111 HE1 HIS 111 8.386 9.560 -6.376 853 HE2 HIS 111 HE2 HIS 111 7.937 7.562 -7.844 Start of MODEL 21 1 H MET 1 H MET 1 -12.522 -2.118 18.642 2 HA MET 1 HA MET 1 -13.728 -2.331 20.697 3 1HB MET 1 1HB MET 1 -10.856 -1.476 21.110 4 2HB MET 1 2HB MET 1 -11.804 -2.442 22.231 5 1HG MET 1 1HG MET 1 -11.988 -4.206 20.548 6 2HG MET 1 2HG MET 1 -11.021 -3.239 19.437 7 1HE MET 1 1HE MET 1 -8.650 -6.205 20.531 8 2HE MET 1 2HE MET 1 -9.439 -5.411 19.169 9 3HE MET 1 3HE MET 1 -10.403 -6.286 20.359 10 H ALA 2 H ALA 2 -15.168 -1.090 21.687 11 HA ALA 2 HA ALA 2 -16.116 0.569 22.913 12 1HB ALA 2 1HB ALA 2 -14.756 1.684 24.588 13 2HB ALA 2 2HB ALA 2 -13.285 1.147 23.777 14 3HB ALA 2 3HB ALA 2 -14.364 -0.034 24.519 15 H ASP 3 H ASP 3 -13.107 2.352 22.408 16 HA ASP 3 HA ASP 3 -14.638 4.330 20.854 17 1HB ASP 3 1HB ASP 3 -12.949 5.974 21.599 18 2HB ASP 3 2HB ASP 3 -13.784 5.222 22.955 19 H GLU 4 H GLU 4 -12.781 5.783 19.646 20 HA GLU 4 HA GLU 4 -11.430 5.920 17.827 21 1HB GLU 4 1HB GLU 4 -9.758 4.940 19.345 22 2HB GLU 4 2HB GLU 4 -10.282 3.327 18.879 23 1HG GLU 4 1HG GLU 4 -9.556 3.731 16.596 24 2HG GLU 4 2HG GLU 4 -9.067 5.369 17.029 25 H ASN 5 H ASN 5 -11.447 2.383 17.827 26 HA ASN 5 HA ASN 5 -12.374 2.357 15.104 27 1HB ASN 5 1HB ASN 5 -10.682 0.746 15.902 28 2HB ASN 5 2HB ASN 5 -11.868 0.054 17.004 29 1HD2 ASN 5 1HD2 ASN 5 -10.824 0.327 13.717 30 2HD2 ASN 5 2HD2 ASN 5 -11.846 -0.907 13.071 31 H LYS 6 H LYS 6 -14.463 3.008 14.940 32 HA LYS 6 HA LYS 6 -16.483 1.144 15.785 33 1HB LYS 6 1HB LYS 6 -17.861 2.906 16.930 34 2HB LYS 6 2HB LYS 6 -16.427 2.401 17.811 35 1HG LYS 6 1HG LYS 6 -16.287 4.656 18.077 36 2HG LYS 6 2HG LYS 6 -15.349 4.467 16.596 37 1HD LYS 6 1HD LYS 6 -16.748 6.217 16.044 38 2HD LYS 6 2HD LYS 6 -17.646 4.833 15.419 39 1HE LYS 6 1HE LYS 6 -18.108 6.205 18.067 40 2HE LYS 6 2HE LYS 6 -19.109 6.371 16.626 41 1HZ LYS 6 1HZ LYS 6 -19.597 3.989 16.767 42 2HZ LYS 6 2HZ LYS 6 -20.098 4.816 18.155 43 3HZ LYS 6 3HZ LYS 6 -18.689 3.882 18.192 44 H TRP 7 H TRP 7 -15.416 3.908 14.032 45 HA TRP 7 HA TRP 7 -17.928 4.237 12.613 46 1HB TRP 7 1HB TRP 7 -16.531 5.948 11.306 47 2HB TRP 7 2HB TRP 7 -16.846 6.289 13.003 48 HD1 TRP 7 HD1 TRP 7 -14.788 6.422 14.627 49 HE1 TRP 7 HE1 TRP 7 -12.240 6.406 14.262 50 HE3 TRP 7 HE3 TRP 7 -14.673 4.879 9.753 51 HZ2 TRP 7 HZ2 TRP 7 -10.424 5.815 12.186 52 HZ3 TRP 7 HZ3 TRP 7 -12.491 4.612 8.652 53 HH2 TRP 7 HH2 TRP 7 -10.410 5.072 9.845 54 H VAL 8 H VAL 8 -16.034 1.817 12.490 55 HA VAL 8 HA VAL 8 -15.455 1.754 9.624 56 HB VAL 8 HB VAL 8 -14.774 -0.280 11.755 57 1HG1 VAL 8 1HG1 VAL 8 -14.825 -1.276 9.553 58 2HG1 VAL 8 2HG1 VAL 8 -13.154 -1.115 10.093 59 3HG1 VAL 8 3HG1 VAL 8 -13.811 0.018 8.913 60 1HG2 VAL 8 1HG2 VAL 8 -12.498 0.644 11.631 61 2HG2 VAL 8 2HG2 VAL 8 -13.668 1.829 12.211 62 3HG2 VAL 8 3HG2 VAL 8 -13.084 1.908 10.548 63 H ARG 9 H ARG 9 -17.936 0.913 11.709 64 HA ARG 9 HA ARG 9 -18.986 -1.000 9.723 65 1HB ARG 9 1HB ARG 9 -19.016 -1.242 12.729 66 2HB ARG 9 2HB ARG 9 -20.141 -2.127 11.706 67 1HG ARG 9 1HG ARG 9 -18.100 -3.025 10.493 68 2HG ARG 9 2HG ARG 9 -17.154 -2.368 11.830 69 1HD ARG 9 1HD ARG 9 -18.232 -3.778 13.402 70 2HD ARG 9 2HD ARG 9 -19.469 -4.246 12.236 71 HE ARG 9 HE ARG 9 -16.642 -4.992 11.877 72 1HH1 ARG 9 1HH1 ARG 9 -20.022 -5.823 12.057 73 2HH1 ARG 9 2HH1 ARG 9 -19.778 -7.463 11.556 74 1HH2 ARG 9 1HH2 ARG 9 -16.313 -7.145 11.212 75 2HH2 ARG 9 2HH2 ARG 9 -17.669 -8.215 11.077 76 H ARG 10 H ARG 10 -19.432 1.994 10.573 77 HA ARG 10 HA ARG 10 -22.132 2.119 11.405 78 1HB ARG 10 1HB ARG 10 -20.590 4.087 9.686 79 2HB ARG 10 2HB ARG 10 -22.119 4.415 10.490 80 1HG ARG 10 1HG ARG 10 -21.013 4.034 12.667 81 2HG ARG 10 2HG ARG 10 -19.483 3.825 11.816 82 1HD ARG 10 1HD ARG 10 -19.698 6.101 10.909 83 2HD ARG 10 2HD ARG 10 -21.203 6.302 11.804 84 HE ARG 10 HE ARG 10 -19.049 5.572 13.517 85 1HH1 ARG 10 1HH1 ARG 10 -20.458 8.258 11.802 86 2HH1 ARG 10 2HH1 ARG 10 -19.822 9.450 12.885 87 1HH2 ARG 10 1HH2 ARG 10 -18.209 7.137 14.948 88 2HH2 ARG 10 2HH2 ARG 10 -18.547 8.812 14.674 89 H ASP 11 H ASP 11 -23.606 0.945 10.348 90 HA ASP 11 HA ASP 11 -24.920 0.128 8.679 91 1HB ASP 11 1HB ASP 11 -23.746 2.409 7.061 92 2HB ASP 11 2HB ASP 11 -25.145 1.443 6.600 93 H VAL 12 H VAL 12 -22.240 -0.780 9.164 94 HA VAL 12 HA VAL 12 -20.521 -1.239 7.143 95 HB VAL 12 HB VAL 12 -20.086 -2.186 9.297 96 1HG1 VAL 12 1HG1 VAL 12 -22.377 -4.076 8.785 97 2HG1 VAL 12 2HG1 VAL 12 -22.389 -2.727 9.921 98 3HG1 VAL 12 3HG1 VAL 12 -21.311 -4.096 10.188 99 1HG2 VAL 12 1HG2 VAL 12 -19.313 -4.416 8.705 100 2HG2 VAL 12 2HG2 VAL 12 -19.021 -3.283 7.386 101 3HG2 VAL 12 3HG2 VAL 12 -20.366 -4.418 7.290 102 H SER 13 H SER 13 -20.278 -2.604 5.418 103 HA SER 13 HA SER 13 -22.069 -4.627 4.665 104 1HB SER 13 1HB SER 13 -23.742 -3.002 4.352 105 2HB SER 13 2HB SER 13 -22.615 -1.861 3.624 106 HG SER 13 HG SER 13 -22.900 -2.791 1.746 107 H THR 14 H THR 14 -21.026 -2.139 2.406 108 HA THR 14 HA THR 14 -19.174 -4.064 1.200 109 HB THR 14 HB THR 14 -19.192 -2.624 -0.769 110 HG1 THR 14 HG1 THR 14 -21.125 -0.906 -0.237 111 1HG2 THR 14 1HG2 THR 14 -21.947 -3.168 0.335 112 2HG2 THR 14 2HG2 THR 14 -20.968 -4.253 -0.652 113 3HG2 THR 14 3HG2 THR 14 -21.605 -2.762 -1.347 114 H ALA 15 H ALA 15 -17.248 -3.941 2.234 115 HA ALA 15 HA ALA 15 -16.210 -1.371 3.085 116 1HB ALA 15 1HB ALA 15 -14.964 -4.094 3.375 117 2HB ALA 15 2HB ALA 15 -16.061 -3.357 4.543 118 3HB ALA 15 3HB ALA 15 -14.494 -2.616 4.216 119 H LEU 16 H LEU 16 -14.648 -4.086 1.377 120 HA LEU 16 HA LEU 16 -12.555 -2.537 0.350 121 1HB LEU 16 1HB LEU 16 -11.863 -4.428 -0.785 122 2HB LEU 16 2HB LEU 16 -12.767 -5.084 0.565 123 HG LEU 16 HG LEU 16 -13.849 -4.789 -2.239 124 1HD1 LEU 16 1HD1 LEU 16 -12.915 -7.252 -0.776 125 2HD1 LEU 16 2HD1 LEU 16 -12.060 -6.458 -2.097 126 3HD1 LEU 16 3HD1 LEU 16 -13.632 -7.201 -2.386 127 1HD2 LEU 16 1HD2 LEU 16 -15.584 -4.668 -0.531 128 2HD2 LEU 16 2HD2 LEU 16 -14.981 -6.155 0.199 129 3HD2 LEU 16 3HD2 LEU 16 -15.681 -6.189 -1.419 130 H SER 17 H SER 17 -15.805 -2.627 -0.604 131 HA SER 17 HA SER 17 -15.514 -2.146 -3.381 132 1HB SER 17 1HB SER 17 -17.640 -2.883 -2.367 133 2HB SER 17 2HB SER 17 -17.781 -1.327 -1.548 134 HG SER 17 HG SER 17 -18.733 -0.697 -3.303 135 H ARG 18 H ARG 18 -16.041 0.068 -0.635 136 HA ARG 18 HA ARG 18 -14.381 2.083 -1.721 137 1HB ARG 18 1HB ARG 18 -16.205 3.801 -2.065 138 2HB ARG 18 2HB ARG 18 -16.088 2.552 -3.295 139 1HG ARG 18 1HG ARG 18 -17.955 1.356 -2.232 140 2HG ARG 18 2HG ARG 18 -18.089 2.658 -1.048 141 1HD ARG 18 1HD ARG 18 -19.725 2.934 -2.833 142 2HD ARG 18 2HD ARG 18 -18.551 4.249 -2.843 143 HE ARG 18 HE ARG 18 -17.819 2.115 -4.600 144 1HH1 ARG 18 1HH1 ARG 18 -19.806 4.964 -4.296 145 2HH1 ARG 18 2HH1 ARG 18 -19.874 5.252 -6.003 146 1HH2 ARG 18 1HH2 ARG 18 -17.899 2.496 -6.846 147 2HH2 ARG 18 2HH2 ARG 18 -18.791 3.852 -7.451 148 H MET 19 H MET 19 -13.512 2.146 0.329 149 HA MET 19 HA MET 19 -15.183 3.474 2.350 150 1HB MET 19 1HB MET 19 -13.411 1.072 2.724 151 2HB MET 19 2HB MET 19 -13.846 2.118 4.067 152 1HG MET 19 1HG MET 19 -15.833 0.716 2.301 153 2HG MET 19 2HG MET 19 -15.255 0.090 3.844 154 1HE MET 19 1HE MET 19 -17.639 -0.103 4.917 155 2HE MET 19 2HE MET 19 -18.311 0.359 3.354 156 3HE MET 19 3HE MET 19 -18.860 1.166 4.822 157 H GLY 20 H GLY 20 -11.902 2.671 1.284 158 1HA GLY 20 1HA GLY 20 -10.125 4.180 1.064 159 2HA GLY 20 2HA GLY 20 -11.042 5.363 1.985 160 H ASP 21 H ASP 21 -11.626 3.570 4.185 161 HA ASP 21 HA ASP 21 -8.976 2.967 5.272 162 1HB ASP 21 1HB ASP 21 -11.001 4.645 6.770 163 2HB ASP 21 2HB ASP 21 -9.391 4.193 7.321 164 H GLU 22 H GLU 22 -12.483 2.802 5.642 165 HA GLU 22 HA GLU 22 -12.480 0.854 7.705 166 1HB GLU 22 1HB GLU 22 -14.648 1.427 5.680 167 2HB GLU 22 2HB GLU 22 -14.848 0.590 7.212 168 1HG GLU 22 1HG GLU 22 -15.588 2.660 7.788 169 2HG GLU 22 2HG GLU 22 -13.877 2.819 8.186 170 H ALA 23 H ALA 23 -11.550 0.643 4.528 171 HA ALA 23 HA ALA 23 -12.315 -2.182 4.289 172 1HB ALA 23 1HB ALA 23 -12.924 -0.668 2.435 173 2HB ALA 23 2HB ALA 23 -11.851 -1.977 1.932 174 3HB ALA 23 3HB ALA 23 -11.210 -0.350 2.167 175 H PHE 24 H PHE 24 -9.729 -0.221 5.149 176 HA PHE 24 HA PHE 24 -7.528 -1.604 4.088 177 1HB PHE 24 1HB PHE 24 -7.703 0.655 5.436 178 2HB PHE 24 2HB PHE 24 -7.389 -0.395 6.816 179 HD1 PHE 24 HD1 PHE 24 -5.415 -2.157 6.312 180 HD2 PHE 24 HD2 PHE 24 -5.880 1.662 4.498 181 HE1 PHE 24 HE1 PHE 24 -3.015 -2.114 5.797 182 HE2 PHE 24 HE2 PHE 24 -3.482 1.714 3.986 183 HZ PHE 24 HZ PHE 24 -2.041 -0.176 4.632 184 H GLU 25 H GLU 25 -9.206 -1.961 7.201 185 HA GLU 25 HA GLU 25 -7.630 -4.080 8.151 186 1HB GLU 25 1HB GLU 25 -10.201 -2.851 8.885 187 2HB GLU 25 2HB GLU 25 -9.998 -4.532 9.355 188 1HG GLU 25 1HG GLU 25 -8.043 -4.017 10.628 189 2HG GLU 25 2HG GLU 25 -8.012 -2.370 10.000 190 HA PRO 26 HA PRO 26 -11.286 -7.030 6.535 191 1HB PRO 26 1HB PRO 26 -11.950 -5.448 4.112 192 2HB PRO 26 2HB PRO 26 -13.011 -6.395 5.158 193 1HG PRO 26 1HG PRO 26 -12.945 -3.693 5.188 194 2HG PRO 26 2HG PRO 26 -13.336 -4.667 6.617 195 1HD PRO 26 1HD PRO 26 -10.904 -3.115 6.007 196 2HD PRO 26 2HD PRO 26 -11.558 -3.620 7.572 197 H LEU 27 H LEU 27 -9.082 -5.019 4.880 198 HA LEU 27 HA LEU 27 -8.406 -6.894 2.795 199 1HB LEU 27 1HB LEU 27 -8.204 -4.787 1.970 200 2HB LEU 27 2HB LEU 27 -7.879 -4.098 3.553 201 HG LEU 27 HG LEU 27 -5.548 -4.988 3.369 202 1HD1 LEU 27 1HD1 LEU 27 -6.378 -5.509 0.518 203 2HD1 LEU 27 2HD1 LEU 27 -5.944 -6.729 1.715 204 3HD1 LEU 27 3HD1 LEU 27 -4.730 -5.586 1.141 205 1HD2 LEU 27 1HD2 LEU 27 -6.599 -2.979 1.398 206 2HD2 LEU 27 2HD2 LEU 27 -4.877 -3.270 1.635 207 3HD2 LEU 27 3HD2 LEU 27 -5.864 -2.685 2.974 208 H LEU 28 H LEU 28 -7.110 -5.621 5.801 209 HA LEU 28 HA LEU 28 -4.606 -6.992 5.662 210 1HB LEU 28 1HB LEU 28 -4.589 -5.048 6.962 211 2HB LEU 28 2HB LEU 28 -6.093 -5.453 7.763 212 HG LEU 28 HG LEU 28 -4.860 -7.296 8.957 213 1HD1 LEU 28 1HD1 LEU 28 -2.389 -7.032 9.070 214 2HD1 LEU 28 2HD1 LEU 28 -2.491 -5.923 7.702 215 3HD1 LEU 28 3HD1 LEU 28 -2.981 -7.607 7.512 216 1HD2 LEU 28 1HD2 LEU 28 -3.858 -5.806 10.582 217 2HD2 LEU 28 2HD2 LEU 28 -5.376 -5.129 9.993 218 3HD2 LEU 28 3HD2 LEU 28 -3.840 -4.494 9.403 219 H GLU 29 H GLU 29 -7.794 -7.812 6.630 220 HA GLU 29 HA GLU 29 -7.185 -9.872 8.479 221 1HB GLU 29 1HB GLU 29 -9.642 -9.313 6.820 222 2HB GLU 29 2HB GLU 29 -9.550 -10.614 7.997 223 1HG GLU 29 1HG GLU 29 -9.043 -8.916 9.740 224 2HG GLU 29 2HG GLU 29 -9.330 -7.664 8.533 225 H SER 30 H SER 30 -7.598 -9.736 4.999 226 HA SER 30 HA SER 30 -7.776 -12.497 4.485 227 1HB SER 30 1HB SER 30 -6.832 -10.190 2.778 228 2HB SER 30 2HB SER 30 -7.002 -11.837 2.167 229 HG SER 30 HG SER 30 -8.867 -10.024 2.311 230 H LEU 31 H LEU 31 -5.086 -10.470 5.263 231 HA LEU 31 HA LEU 31 -3.029 -12.064 4.143 232 1HB LEU 31 1HB LEU 31 -3.011 -10.077 6.410 233 2HB LEU 31 2HB LEU 31 -1.563 -10.842 5.783 234 HG LEU 31 HG LEU 31 -3.416 -9.154 4.103 235 1HD1 LEU 31 1HD1 LEU 31 -1.707 -7.400 4.310 236 2HD1 LEU 31 2HD1 LEU 31 -0.858 -8.388 5.499 237 3HD1 LEU 31 3HD1 LEU 31 -2.472 -7.777 5.851 238 1HD2 LEU 31 1HD2 LEU 31 -2.093 -10.718 2.815 239 2HD2 LEU 31 2HD2 LEU 31 -0.626 -10.205 3.649 240 3HD2 LEU 31 3HD2 LEU 31 -1.473 -9.083 2.584 241 H SER 32 H SER 32 -5.052 -12.510 6.836 242 HA SER 32 HA SER 32 -3.190 -14.384 8.109 243 1HB SER 32 1HB SER 32 -5.843 -13.284 9.067 244 2HB SER 32 2HB SER 32 -4.831 -14.409 9.973 245 HG SER 32 HG SER 32 -3.928 -11.880 9.070 246 H ASN 33 H ASN 33 -5.047 -14.625 5.595 247 HA ASN 33 HA ASN 33 -6.702 -16.879 6.326 248 1HB ASN 33 1HB ASN 33 -7.252 -15.062 4.579 249 2HB ASN 33 2HB ASN 33 -6.163 -15.948 3.516 250 1HD2 ASN 33 1HD2 ASN 33 -9.160 -16.042 5.275 251 2HD2 ASN 33 2HD2 ASN 33 -9.842 -17.385 4.431 252 H GLU 34 H GLU 34 -6.409 -19.002 5.684 253 HA GLU 34 HA GLU 34 -3.745 -19.909 5.463 254 1HB GLU 34 1HB GLU 34 -5.455 -21.227 6.569 255 2HB GLU 34 2HB GLU 34 -6.382 -21.331 5.079 256 1HG GLU 34 1HG GLU 34 -5.278 -23.394 5.385 257 2HG GLU 34 2HG GLU 34 -4.473 -22.552 4.065 258 H ASP 35 H ASP 35 -6.241 -19.192 3.137 259 HA ASP 35 HA ASP 35 -5.016 -20.588 0.955 260 1HB ASP 35 1HB ASP 35 -7.128 -18.420 0.948 261 2HB ASP 35 2HB ASP 35 -6.683 -19.417 -0.434 262 H TRP 36 H TRP 36 -3.831 -19.760 -0.748 263 HA TRP 36 HA TRP 36 -2.353 -17.328 -0.143 264 1HB TRP 36 1HB TRP 36 -0.967 -18.033 -2.132 265 2HB TRP 36 2HB TRP 36 -0.990 -19.175 -0.791 266 HD1 TRP 36 HD1 TRP 36 -2.213 -21.512 -1.183 267 HE1 TRP 36 HE1 TRP 36 -2.917 -22.749 -3.328 268 HE3 TRP 36 HE3 TRP 36 -1.853 -17.652 -4.516 269 HZ2 TRP 36 HZ2 TRP 36 -3.275 -22.175 -6.056 270 HZ3 TRP 36 HZ3 TRP 36 -2.399 -18.082 -6.876 271 HH2 TRP 36 HH2 TRP 36 -3.093 -20.301 -7.626 272 H ARG 37 H ARG 37 -4.678 -18.536 -2.457 273 HA ARG 37 HA ARG 37 -4.473 -16.581 -4.429 274 1HB ARG 37 1HB ARG 37 -5.823 -18.735 -4.472 275 2HB ARG 37 2HB ARG 37 -7.051 -17.879 -3.551 276 1HG ARG 37 1HG ARG 37 -6.082 -16.664 -6.081 277 2HG ARG 37 2HG ARG 37 -7.164 -18.055 -6.169 278 1HD ARG 37 1HD ARG 37 -8.787 -16.871 -4.766 279 2HD ARG 37 2HD ARG 37 -7.705 -15.483 -4.685 280 HE ARG 37 HE ARG 37 -8.165 -16.029 -7.375 281 1HH1 ARG 37 1HH1 ARG 37 -9.975 -15.016 -4.574 282 2HH1 ARG 37 2HH1 ARG 37 -11.127 -14.103 -5.491 283 1HH2 ARG 37 1HH2 ARG 37 -9.682 -14.832 -8.588 284 2HH2 ARG 37 2HH2 ARG 37 -10.964 -14.004 -7.771 285 H ILE 38 H ILE 38 -6.132 -16.567 -1.333 286 HA ILE 38 HA ILE 38 -7.441 -14.041 -1.833 287 HB ILE 38 HB ILE 38 -7.171 -15.477 0.806 288 1HG1 ILE 38 1HG1 ILE 38 -8.149 -16.978 -0.882 289 2HG1 ILE 38 2HG1 ILE 38 -9.343 -16.505 0.322 290 1HG2 ILE 38 1HG2 ILE 38 -7.882 -13.177 1.016 291 2HG2 ILE 38 2HG2 ILE 38 -9.238 -14.252 1.356 292 3HG2 ILE 38 3HG2 ILE 38 -9.137 -13.423 -0.198 293 1HD1 ILE 38 1HD1 ILE 38 -10.248 -14.859 -1.253 294 2HD1 ILE 38 2HD1 ILE 38 -10.312 -16.502 -1.889 295 3HD1 ILE 38 3HD1 ILE 38 -9.073 -15.383 -2.457 296 H ARG 39 H ARG 39 -4.791 -15.194 0.239 297 HA ARG 39 HA ARG 39 -4.209 -12.794 1.528 298 1HB ARG 39 1HB ARG 39 -3.272 -14.921 2.249 299 2HB ARG 39 2HB ARG 39 -2.336 -15.038 0.765 300 1HG ARG 39 1HG ARG 39 -1.114 -12.991 1.421 301 2HG ARG 39 2HG ARG 39 -1.997 -12.992 2.947 302 1HD ARG 39 1HD ARG 39 0.236 -13.998 3.156 303 2HD ARG 39 2HD ARG 39 -1.050 -15.139 3.531 304 HE ARG 39 HE ARG 39 -0.003 -15.176 0.815 305 1HH1 ARG 39 1HH1 ARG 39 -0.044 -16.605 3.995 306 2HH1 ARG 39 2HH1 ARG 39 0.598 -18.123 3.460 307 1HH2 ARG 39 1HH2 ARG 39 0.839 -17.170 0.105 308 2HH2 ARG 39 2HH2 ARG 39 1.100 -18.443 1.251 309 H GLY 40 H GLY 40 -3.002 -14.042 -1.563 310 1HA GLY 40 1HA GLY 40 -1.037 -12.138 -2.064 311 2HA GLY 40 2HA GLY 40 -1.948 -12.980 -3.305 312 H ALA 41 H ALA 41 -4.323 -12.074 -3.451 313 HA ALA 41 HA ALA 41 -4.283 -9.609 -4.610 314 1HB ALA 41 1HB ALA 41 -6.644 -10.786 -3.149 315 2HB ALA 41 2HB ALA 41 -6.144 -11.212 -4.787 316 3HB ALA 41 3HB ALA 41 -6.694 -9.574 -4.429 317 H ALA 42 H ALA 42 -4.409 -10.314 -1.207 318 HA ALA 42 HA ALA 42 -5.416 -7.843 -0.294 319 1HB ALA 42 1HB ALA 42 -3.482 -9.661 1.139 320 2HB ALA 42 2HB ALA 42 -5.231 -9.887 1.099 321 3HB ALA 42 3HB ALA 42 -4.544 -8.455 1.867 322 H ALA 43 H ALA 43 -2.039 -9.009 -0.459 323 HA ALA 43 HA ALA 43 -0.857 -6.536 0.180 324 1HB ALA 43 1HB ALA 43 0.296 -8.723 0.289 325 2HB ALA 43 2HB ALA 43 1.211 -7.497 -0.590 326 3HB ALA 43 3HB ALA 43 0.343 -8.753 -1.474 327 H TRP 44 H TRP 44 -2.187 -7.807 -2.749 328 HA TRP 44 HA TRP 44 -0.837 -6.288 -4.670 329 1HB TRP 44 1HB TRP 44 -3.366 -7.813 -4.549 330 2HB TRP 44 2HB TRP 44 -3.253 -6.609 -5.827 331 HD1 TRP 44 HD1 TRP 44 -1.442 -9.765 -4.563 332 HE1 TRP 44 HE1 TRP 44 -0.161 -10.806 -6.532 333 HE3 TRP 44 HE3 TRP 44 -2.327 -6.180 -8.100 334 HZ2 TRP 44 HZ2 TRP 44 0.407 -10.198 -9.224 335 HZ3 TRP 44 HZ3 TRP 44 -1.383 -6.490 -10.351 336 HH2 TRP 44 HH2 TRP 44 -0.047 -8.460 -10.902 337 H ILE 45 H ILE 45 -3.814 -5.570 -2.867 338 HA ILE 45 HA ILE 45 -3.917 -2.909 -4.087 339 HB ILE 45 HB ILE 45 -5.977 -4.160 -2.267 340 1HG1 ILE 45 1HG1 ILE 45 -5.699 -5.564 -4.252 341 2HG1 ILE 45 2HG1 ILE 45 -7.234 -4.706 -4.313 342 1HG2 ILE 45 1HG2 ILE 45 -6.073 -1.808 -4.151 343 2HG2 ILE 45 2HG2 ILE 45 -6.160 -1.768 -2.389 344 3HG2 ILE 45 3HG2 ILE 45 -7.470 -2.492 -3.321 345 1HD1 ILE 45 1HD1 ILE 45 -6.134 -4.766 -6.485 346 2HD1 ILE 45 2HD1 ILE 45 -4.736 -3.934 -5.806 347 3HD1 ILE 45 3HD1 ILE 45 -6.295 -3.113 -5.892 348 H ILE 46 H ILE 46 -3.008 -4.460 -1.177 349 HA ILE 46 HA ILE 46 -3.605 -2.547 0.749 350 HB ILE 46 HB ILE 46 -2.544 -4.941 0.944 351 1HG1 ILE 46 1HG1 ILE 46 -1.768 -2.790 2.915 352 2HG1 ILE 46 2HG1 ILE 46 -3.399 -3.432 2.763 353 1HG2 ILE 46 1HG2 ILE 46 -0.186 -4.917 1.523 354 2HG2 ILE 46 2HG2 ILE 46 -0.097 -3.193 1.162 355 3HG2 ILE 46 3HG2 ILE 46 -0.422 -4.349 -0.131 356 1HD1 ILE 46 1HD1 ILE 46 -2.146 -4.447 4.607 357 2HD1 ILE 46 2HD1 ILE 46 -0.964 -5.058 3.448 358 3HD1 ILE 46 3HD1 ILE 46 -2.632 -5.630 3.392 359 H GLY 47 H GLY 47 -0.941 -2.610 -1.556 360 1HA GLY 47 1HA GLY 47 0.531 -0.513 -0.266 361 2HA GLY 47 2HA GLY 47 0.821 -1.150 -1.875 362 H ASN 48 H ASN 48 -2.157 -0.563 -2.392 363 HA ASN 48 HA ASN 48 -1.727 1.944 -3.660 364 1HB ASN 48 1HB ASN 48 -4.178 0.230 -3.284 365 2HB ASN 48 2HB ASN 48 -4.211 1.753 -4.167 366 1HD2 ASN 48 1HD2 ASN 48 -2.924 -1.496 -4.106 367 2HD2 ASN 48 2HD2 ASN 48 -2.505 -1.570 -5.782 368 H PHE 49 H PHE 49 -2.165 1.426 -0.463 369 HA PHE 49 HA PHE 49 -3.882 3.786 -0.102 370 1HB PHE 49 1HB PHE 49 -3.155 1.574 1.820 371 2HB PHE 49 2HB PHE 49 -4.102 2.993 2.256 372 HD1 PHE 49 HD1 PHE 49 -6.367 3.277 1.440 373 HD2 PHE 49 HD2 PHE 49 -4.091 -0.186 0.471 374 HE1 PHE 49 HE1 PHE 49 -8.421 2.137 0.707 375 HE2 PHE 49 HE2 PHE 49 -6.141 -1.332 -0.264 376 HZ PHE 49 HZ PHE 49 -8.309 -0.170 -0.146 377 H GLN 50 H GLN 50 -0.643 2.707 0.210 378 HA GLN 50 HA GLN 50 1.256 3.658 1.031 379 1HB GLN 50 1HB GLN 50 -0.467 6.026 0.417 380 2HB GLN 50 2HB GLN 50 1.067 6.271 1.241 381 1HG GLN 50 1HG GLN 50 1.707 6.521 -0.930 382 2HG GLN 50 2HG GLN 50 2.007 4.802 -0.687 383 1HE2 GLN 50 1HE2 GLN 50 -1.202 6.125 -0.998 384 2HE2 GLN 50 2HE2 GLN 50 -1.550 5.438 -2.544 385 H ASP 51 H ASP 51 0.108 2.457 3.025 386 HA ASP 51 HA ASP 51 0.240 4.383 5.248 387 1HB ASP 51 1HB ASP 51 -2.100 3.572 4.794 388 2HB ASP 51 2HB ASP 51 -1.551 1.951 5.208 389 H GLU 52 H GLU 52 0.861 3.412 7.330 390 HA GLU 52 HA GLU 52 3.184 1.825 7.063 391 1HB GLU 52 1HB GLU 52 3.354 1.939 9.455 392 2HB GLU 52 2HB GLU 52 2.785 3.499 8.875 393 1HG GLU 52 1HG GLU 52 0.491 2.871 9.480 394 2HG GLU 52 2HG GLU 52 1.091 1.332 10.098 395 H ARG 53 H ARG 53 -0.141 1.094 7.763 396 HA ARG 53 HA ARG 53 0.236 -1.529 8.782 397 1HB ARG 53 1HB ARG 53 -1.813 -0.134 9.105 398 2HB ARG 53 2HB ARG 53 -2.196 -0.363 7.407 399 1HG ARG 53 1HG ARG 53 -2.754 -2.583 7.693 400 2HG ARG 53 2HG ARG 53 -1.821 -2.737 9.181 401 1HD ARG 53 1HD ARG 53 -4.404 -1.232 8.811 402 2HD ARG 53 2HD ARG 53 -4.177 -2.735 9.703 403 HE ARG 53 HE ARG 53 -2.558 -0.567 10.670 404 1HH1 ARG 53 1HH1 ARG 53 -5.677 -2.110 10.853 405 2HH1 ARG 53 2HH1 ARG 53 -6.034 -1.493 12.431 406 1HH2 ARG 53 1HH2 ARG 53 -3.019 0.249 12.748 407 2HH2 ARG 53 2HH2 ARG 53 -4.522 -0.152 13.509 408 H ALA 54 H ALA 54 0.678 -0.243 5.722 409 HA ALA 54 HA ALA 54 0.127 -2.801 4.373 410 1HB ALA 54 1HB ALA 54 -1.034 -0.948 3.364 411 2HB ALA 54 2HB ALA 54 0.243 -1.491 2.275 412 3HB ALA 54 3HB ALA 54 0.464 -0.029 3.237 413 H VAL 55 H VAL 55 2.568 -1.350 5.887 414 HA VAL 55 HA VAL 55 4.653 -1.663 3.912 415 HB VAL 55 HB VAL 55 4.834 -1.050 6.864 416 1HG1 VAL 55 1HG1 VAL 55 6.918 -1.942 6.171 417 2HG1 VAL 55 2HG1 VAL 55 7.101 -0.188 6.213 418 3HG1 VAL 55 3HG1 VAL 55 6.888 -1.016 4.672 419 1HG2 VAL 55 1HG2 VAL 55 5.200 1.258 6.138 420 2HG2 VAL 55 2HG2 VAL 55 3.625 0.661 5.618 421 3HG2 VAL 55 3HG2 VAL 55 4.952 0.770 4.462 422 H GLU 56 H GLU 56 3.956 -3.194 7.077 423 HA GLU 56 HA GLU 56 5.973 -5.122 6.911 424 1HB GLU 56 1HB GLU 56 4.647 -4.513 8.965 425 2HB GLU 56 2HB GLU 56 3.338 -5.503 8.331 426 1HG GLU 56 1HG GLU 56 5.063 -7.387 8.219 427 2HG GLU 56 2HG GLU 56 6.055 -6.359 9.251 428 HA PRO 57 HA PRO 57 2.236 -8.059 5.214 429 1HB PRO 57 1HB PRO 57 1.395 -5.873 3.358 430 2HB PRO 57 2HB PRO 57 0.455 -7.217 4.017 431 1HG PRO 57 1HG PRO 57 0.223 -4.766 5.037 432 2HG PRO 57 2HG PRO 57 0.191 -6.199 6.079 433 1HD PRO 57 1HD PRO 57 2.321 -4.169 5.726 434 2HD PRO 57 2HD PRO 57 1.949 -5.186 7.131 435 H LEU 58 H LEU 58 4.071 -5.582 3.506 436 HA LEU 58 HA LEU 58 4.475 -7.150 1.159 437 1HB LEU 58 1HB LEU 58 6.322 -4.940 1.967 438 2HB LEU 58 2HB LEU 58 5.779 -5.398 0.364 439 HG LEU 58 HG LEU 58 4.209 -3.909 2.461 440 1HD1 LEU 58 1HD1 LEU 58 5.783 -2.533 1.259 441 2HD1 LEU 58 2HD1 LEU 58 4.142 -2.162 0.730 442 3HD1 LEU 58 3HD1 LEU 58 5.192 -3.152 -0.282 443 1HD2 LEU 58 1HD2 LEU 58 2.727 -5.484 1.351 444 2HD2 LEU 58 2HD2 LEU 58 3.291 -4.928 -0.225 445 3HD2 LEU 58 3HD2 LEU 58 2.385 -3.835 0.822 446 H ILE 59 H ILE 59 6.589 -6.238 3.867 447 HA ILE 59 HA ILE 59 8.888 -7.551 3.165 448 HB ILE 59 HB ILE 59 7.776 -7.383 5.964 449 1HG1 ILE 59 1HG1 ILE 59 7.829 -5.190 4.820 450 2HG1 ILE 59 2HG1 ILE 59 8.979 -5.271 6.148 451 1HG2 ILE 59 1HG2 ILE 59 10.135 -7.444 6.650 452 2HG2 ILE 59 2HG2 ILE 59 10.605 -7.689 4.969 453 3HG2 ILE 59 3HG2 ILE 59 9.650 -8.913 5.803 454 1HD1 ILE 59 1HD1 ILE 59 10.796 -5.621 4.572 455 2HD1 ILE 59 2HD1 ILE 59 9.911 -4.140 4.202 456 3HD1 ILE 59 3HD1 ILE 59 9.651 -5.589 3.231 457 H LYS 60 H LYS 60 6.185 -8.909 5.035 458 HA LYS 60 HA LYS 60 7.362 -11.481 5.293 459 1HB LYS 60 1HB LYS 60 5.046 -12.146 6.028 460 2HB LYS 60 2HB LYS 60 5.787 -10.835 6.935 461 1HG LYS 60 1HG LYS 60 3.922 -9.685 6.596 462 2HG LYS 60 2HG LYS 60 4.403 -9.556 4.902 463 1HD LYS 60 1HD LYS 60 2.167 -10.402 4.970 464 2HD LYS 60 2HD LYS 60 3.230 -11.724 4.486 465 1HE LYS 60 1HE LYS 60 3.211 -12.585 6.770 466 2HE LYS 60 2HE LYS 60 2.176 -11.249 7.273 467 1HZ LYS 60 1HZ LYS 60 0.459 -12.058 5.785 468 2HZ LYS 60 2HZ LYS 60 0.905 -13.269 6.879 469 3HZ LYS 60 3HZ LYS 60 1.455 -13.331 5.281 470 H LEU 61 H LEU 61 5.210 -10.072 2.888 471 HA LEU 61 HA LEU 61 4.674 -12.683 1.730 472 1HB LEU 61 1HB LEU 61 3.163 -10.449 1.924 473 2HB LEU 61 2HB LEU 61 3.777 -10.281 0.291 474 HG LEU 61 HG LEU 61 2.877 -12.492 -0.278 475 1HD1 LEU 61 1HD1 LEU 61 1.788 -12.457 2.530 476 2HD1 LEU 61 2HD1 LEU 61 3.015 -13.553 1.893 477 3HD1 LEU 61 3HD1 LEU 61 1.364 -13.626 1.280 478 1HD2 LEU 61 1HD2 LEU 61 0.525 -11.898 -0.260 479 2HD2 LEU 61 2HD2 LEU 61 1.517 -10.490 -0.640 480 3HD2 LEU 61 3HD2 LEU 61 0.827 -10.674 0.974 481 H LEU 62 H LEU 62 7.053 -10.297 1.310 482 HA LEU 62 HA LEU 62 7.428 -10.580 -1.502 483 1HB LEU 62 1HB LEU 62 9.082 -9.446 0.728 484 2HB LEU 62 2HB LEU 62 9.737 -9.598 -0.892 485 HG LEU 62 HG LEU 62 7.138 -8.175 -0.454 486 1HD1 LEU 62 1HD1 LEU 62 8.448 -6.064 -0.304 487 2HD1 LEU 62 2HD1 LEU 62 9.905 -7.033 -0.078 488 3HD1 LEU 62 3HD1 LEU 62 8.606 -7.103 1.112 489 1HD2 LEU 62 1HD2 LEU 62 9.347 -7.986 -2.498 490 2HD2 LEU 62 2HD2 LEU 62 7.929 -6.940 -2.449 491 3HD2 LEU 62 3HD2 LEU 62 7.738 -8.670 -2.731 492 H GLU 63 H GLU 63 8.109 -12.563 1.140 493 HA GLU 63 HA GLU 63 10.102 -14.066 -0.422 494 1HB GLU 63 1HB GLU 63 10.768 -15.028 1.824 495 2HB GLU 63 2HB GLU 63 11.158 -13.336 1.565 496 1HG GLU 63 1HG GLU 63 9.256 -12.658 2.889 497 2HG GLU 63 2HG GLU 63 8.772 -14.341 3.096 498 H ASP 64 H ASP 64 6.973 -14.084 0.024 499 HA ASP 64 HA ASP 64 6.308 -16.579 1.102 500 1HB ASP 64 1HB ASP 64 4.775 -14.594 0.499 501 2HB ASP 64 2HB ASP 64 4.748 -15.292 -1.118 502 H ASP 65 H ASP 65 7.407 -15.635 -2.014 503 HA ASP 65 HA ASP 65 7.952 -16.757 -3.918 504 1HB ASP 65 1HB ASP 65 8.556 -18.850 -1.831 505 2HB ASP 65 2HB ASP 65 8.994 -19.025 -3.527 506 H SER 66 H SER 66 5.109 -17.003 -2.951 507 HA SER 66 HA SER 66 4.331 -19.644 -3.874 508 1HB SER 66 1HB SER 66 3.094 -18.699 -2.010 509 2HB SER 66 2HB SER 66 2.673 -17.281 -2.966 510 HG SER 66 HG SER 66 1.518 -19.750 -2.912 511 H GLY 67 H GLY 67 4.843 -16.558 -5.206 512 1HA GLY 67 1HA GLY 67 4.953 -16.587 -7.683 513 2HA GLY 67 2HA GLY 67 3.361 -17.331 -7.647 514 H PHE 68 H PHE 68 1.636 -16.004 -7.831 515 HA PHE 68 HA PHE 68 1.976 -13.256 -8.280 516 1HB PHE 68 1HB PHE 68 -0.190 -13.290 -8.911 517 2HB PHE 68 2HB PHE 68 -0.068 -15.029 -8.698 518 HD1 PHE 68 HD1 PHE 68 -1.204 -16.141 -6.923 519 HD2 PHE 68 HD2 PHE 68 -1.272 -11.886 -7.189 520 HE1 PHE 68 HE1 PHE 68 -3.027 -16.069 -5.278 521 HE2 PHE 68 HE2 PHE 68 -3.095 -11.814 -5.543 522 HZ PHE 68 HZ PHE 68 -3.974 -13.905 -4.585 523 H VAL 69 H VAL 69 1.486 -15.102 -5.410 524 HA VAL 69 HA VAL 69 0.649 -12.989 -3.704 525 HB VAL 69 HB VAL 69 2.151 -15.483 -2.901 526 1HG1 VAL 69 1HG1 VAL 69 0.305 -13.638 -1.400 527 2HG1 VAL 69 2HG1 VAL 69 2.028 -13.887 -1.117 528 3HG1 VAL 69 3HG1 VAL 69 0.883 -15.186 -0.784 529 1HG2 VAL 69 1HG2 VAL 69 -0.809 -15.089 -3.319 530 2HG2 VAL 69 2HG2 VAL 69 -0.079 -16.491 -2.537 531 3HG2 VAL 69 3HG2 VAL 69 0.259 -16.153 -4.234 532 H ARG 70 H ARG 70 3.701 -14.162 -4.875 533 HA ARG 70 HA ARG 70 5.317 -12.678 -3.030 534 1HB ARG 70 1HB ARG 70 6.167 -14.738 -4.008 535 2HB ARG 70 2HB ARG 70 6.013 -14.061 -5.623 536 1HG ARG 70 1HG ARG 70 7.685 -12.338 -5.011 537 2HG ARG 70 2HG ARG 70 7.894 -13.149 -3.457 538 1HD ARG 70 1HD ARG 70 9.616 -13.779 -5.113 539 2HD ARG 70 2HD ARG 70 8.661 -15.153 -4.557 540 HE ARG 70 HE ARG 70 7.583 -14.020 -6.934 541 1HH1 ARG 70 1HH1 ARG 70 10.127 -16.087 -5.747 542 2HH1 ARG 70 2HH1 ARG 70 10.267 -16.977 -7.226 543 1HH2 ARG 70 1HH2 ARG 70 7.757 -15.191 -8.878 544 2HH2 ARG 70 2HH2 ARG 70 8.920 -16.469 -9.005 545 H SER 71 H SER 71 4.706 -12.437 -6.524 546 HA SER 71 HA SER 71 6.008 -9.981 -6.908 547 1HB SER 71 1HB SER 71 3.738 -11.180 -8.507 548 2HB SER 71 2HB SER 71 4.814 -9.893 -9.050 549 HG SER 71 HG SER 71 5.748 -12.438 -8.236 550 H GLY 72 H GLY 72 2.835 -10.771 -5.750 551 1HA GLY 72 1HA GLY 72 1.464 -8.399 -6.247 552 2HA GLY 72 2HA GLY 72 1.160 -9.467 -4.886 553 H ALA 73 H ALA 73 3.085 -9.279 -3.204 554 HA ALA 73 HA ALA 73 2.831 -6.759 -2.011 555 1HB ALA 73 1HB ALA 73 3.312 -8.675 -0.665 556 2HB ALA 73 2HB ALA 73 4.658 -7.547 -0.504 557 3HB ALA 73 3HB ALA 73 4.819 -8.970 -1.530 558 H ALA 74 H ALA 74 5.125 -8.011 -4.301 559 HA ALA 74 HA ALA 74 7.231 -6.204 -3.917 560 1HB ALA 74 1HB ALA 74 6.395 -7.507 -6.504 561 2HB ALA 74 2HB ALA 74 7.379 -8.274 -5.258 562 3HB ALA 74 3HB ALA 74 7.986 -6.856 -6.113 563 H ARG 75 H ARG 75 4.392 -6.031 -6.048 564 HA ARG 75 HA ARG 75 5.064 -3.634 -7.347 565 1HB ARG 75 1HB ARG 75 2.256 -4.549 -6.734 566 2HB ARG 75 2HB ARG 75 2.788 -3.539 -8.071 567 1HG ARG 75 1HG ARG 75 3.903 -5.394 -9.101 568 2HG ARG 75 2HG ARG 75 3.566 -6.421 -7.705 569 1HD ARG 75 1HD ARG 75 1.879 -7.054 -9.143 570 2HD ARG 75 2HD ARG 75 1.086 -5.789 -8.199 571 HE ARG 75 HE ARG 75 1.357 -4.304 -10.057 572 1HH1 ARG 75 1HH1 ARG 75 2.137 -7.637 -10.718 573 2HH1 ARG 75 2HH1 ARG 75 1.956 -7.473 -12.433 574 1HH2 ARG 75 1HH2 ARG 75 1.119 -4.082 -12.314 575 2HH2 ARG 75 2HH2 ARG 75 1.379 -5.453 -13.339 576 H SER 76 H SER 76 3.514 -4.270 -4.275 577 HA SER 76 HA SER 76 2.254 -1.885 -3.750 578 1HB SER 76 1HB SER 76 3.807 -3.558 -1.769 579 2HB SER 76 2HB SER 76 2.536 -2.399 -1.380 580 HG SER 76 HG SER 76 2.219 -4.729 -2.969 581 H LEU 77 H LEU 77 5.680 -2.665 -3.172 582 HA LEU 77 HA LEU 77 6.395 -0.265 -1.947 583 1HB LEU 77 1HB LEU 77 8.040 -2.062 -3.731 584 2HB LEU 77 2HB LEU 77 8.702 -0.757 -2.765 585 HG LEU 77 HG LEU 77 7.542 -2.044 -0.784 586 1HD1 LEU 77 1HD1 LEU 77 7.728 -4.510 -1.179 587 2HD1 LEU 77 2HD1 LEU 77 7.856 -4.157 -2.902 588 3HD1 LEU 77 3HD1 LEU 77 6.394 -3.718 -2.018 589 1HD2 LEU 77 1HD2 LEU 77 10.098 -2.960 -2.096 590 2HD2 LEU 77 2HD2 LEU 77 9.628 -3.285 -0.427 591 3HD2 LEU 77 3HD2 LEU 77 9.926 -1.628 -0.953 592 H GLU 78 H GLU 78 6.736 -1.160 -5.380 593 HA GLU 78 HA GLU 78 7.525 1.347 -6.312 594 1HB GLU 78 1HB GLU 78 7.704 -0.701 -7.647 595 2HB GLU 78 2HB GLU 78 5.951 -0.786 -7.763 596 1HG GLU 78 1HG GLU 78 5.939 1.339 -8.982 597 2HG GLU 78 2HG GLU 78 7.699 1.388 -8.892 598 H GLN 79 H GLN 79 4.323 0.089 -5.612 599 HA GLN 79 HA GLN 79 2.837 2.067 -6.980 600 1HB GLN 79 1HB GLN 79 2.130 0.310 -4.627 601 2HB GLN 79 2HB GLN 79 0.983 1.397 -5.395 602 1HG GLN 79 1HG GLN 79 1.674 0.124 -7.567 603 2HG GLN 79 2HG GLN 79 2.195 -1.116 -6.430 604 1HE2 GLN 79 1HE2 GLN 79 0.643 -2.162 -5.137 605 2HE2 GLN 79 2HE2 GLN 79 -1.036 -2.122 -5.536 606 H ILE 80 H ILE 80 4.372 1.972 -3.852 607 HA ILE 80 HA ILE 80 3.106 4.443 -2.998 608 HB ILE 80 HB ILE 80 5.178 2.711 -1.649 609 1HG1 ILE 80 1HG1 ILE 80 2.250 3.087 -0.990 610 2HG1 ILE 80 2HG1 ILE 80 2.874 1.746 -1.945 611 1HG2 ILE 80 1HG2 ILE 80 5.498 4.898 -0.824 612 2HG2 ILE 80 2HG2 ILE 80 4.520 4.062 0.382 613 3HG2 ILE 80 3HG2 ILE 80 3.765 5.199 -0.734 614 1HD1 ILE 80 1HD1 ILE 80 2.489 1.108 0.369 615 2HD1 ILE 80 2HD1 ILE 80 3.607 2.362 0.907 616 3HD1 ILE 80 3HD1 ILE 80 4.199 1.002 -0.048 617 H GLY 81 H GLY 81 6.488 3.323 -3.283 618 1HA GLY 81 1HA GLY 81 8.403 4.420 -3.904 619 2HA GLY 81 2HA GLY 81 7.371 5.506 -4.820 620 H GLY 82 H GLY 82 9.549 5.300 -2.315 621 1HA GLY 82 1HA GLY 82 9.761 7.932 -1.717 622 2HA GLY 82 2HA GLY 82 8.459 7.404 -0.663 623 H GLU 83 H GLU 83 10.520 8.401 0.615 624 HA GLU 83 HA GLU 83 12.671 6.678 1.180 625 1HB GLU 83 1HB GLU 83 12.859 8.988 1.761 626 2HB GLU 83 2HB GLU 83 11.414 8.918 2.761 627 1HG GLU 83 1HG GLU 83 12.548 7.505 4.359 628 2HG GLU 83 2HG GLU 83 13.984 7.464 3.339 629 H ARG 84 H ARG 84 9.429 6.893 2.472 630 HA ARG 84 HA ARG 84 9.778 5.356 4.790 631 1HB ARG 84 1HB ARG 84 7.279 4.896 4.497 632 2HB ARG 84 2HB ARG 84 7.770 6.577 4.642 633 1HG ARG 84 1HG ARG 84 6.425 6.853 2.859 634 2HG ARG 84 2HG ARG 84 7.835 6.287 1.961 635 1HD ARG 84 1HD ARG 84 6.239 4.894 1.125 636 2HD ARG 84 2HD ARG 84 6.809 3.931 2.485 637 HE ARG 84 HE ARG 84 4.488 5.674 2.872 638 1HH1 ARG 84 1HH1 ARG 84 5.833 2.470 2.609 639 2HH1 ARG 84 2HH1 ARG 84 4.419 1.688 3.230 640 1HH2 ARG 84 1HH2 ARG 84 2.626 4.651 3.697 641 2HH2 ARG 84 2HH2 ARG 84 2.598 2.926 3.849 642 H VAL 85 H VAL 85 8.579 4.379 1.585 643 HA VAL 85 HA VAL 85 8.594 1.599 2.198 644 HB VAL 85 HB VAL 85 8.629 1.534 -0.479 645 1HG1 VAL 85 1HG1 VAL 85 6.217 2.448 1.077 646 2HG1 VAL 85 2HG1 VAL 85 6.832 0.797 1.074 647 3HG1 VAL 85 3HG1 VAL 85 6.233 1.517 -0.420 648 1HG2 VAL 85 1HG2 VAL 85 7.601 4.296 0.168 649 2HG2 VAL 85 2HG2 VAL 85 7.503 3.499 -1.398 650 3HG2 VAL 85 3HG2 VAL 85 9.075 3.926 -0.725 651 H ARG 86 H ARG 86 10.984 3.839 1.182 652 HA ARG 86 HA ARG 86 12.769 2.226 -0.215 653 1HB ARG 86 1HB ARG 86 12.935 4.709 0.090 654 2HB ARG 86 2HB ARG 86 13.506 4.422 1.726 655 1HG ARG 86 1HG ARG 86 14.948 3.077 -0.488 656 2HG ARG 86 2HG ARG 86 15.158 4.818 -0.301 657 1HD ARG 86 1HD ARG 86 15.599 2.765 1.866 658 2HD ARG 86 2HD ARG 86 16.871 3.524 0.909 659 HE ARG 86 HE ARG 86 15.159 5.385 2.286 660 1HH1 ARG 86 1HH1 ARG 86 18.037 3.428 2.494 661 2HH1 ARG 86 2HH1 ARG 86 18.749 4.386 3.748 662 1HH2 ARG 86 1HH2 ARG 86 16.090 6.647 3.934 663 2HH2 ARG 86 2HH2 ARG 86 17.642 6.211 4.571 664 H ALA 87 H ALA 87 12.024 2.346 3.176 665 HA ALA 87 HA ALA 87 14.362 0.899 4.017 666 1HB ALA 87 1HB ALA 87 13.266 0.820 6.202 667 2HB ALA 87 2HB ALA 87 11.788 1.468 5.490 668 3HB ALA 87 3HB ALA 87 13.250 2.455 5.540 669 H ALA 88 H ALA 88 11.148 0.171 2.938 670 HA ALA 88 HA ALA 88 10.923 -2.456 3.936 671 1HB ALA 88 1HB ALA 88 9.674 -1.244 1.471 672 2HB ALA 88 2HB ALA 88 8.997 -1.218 3.099 673 3HB ALA 88 3HB ALA 88 9.178 -2.749 2.244 674 H MET 89 H MET 89 12.093 -1.208 0.803 675 HA MET 89 HA MET 89 12.700 -3.774 -0.232 676 1HB MET 89 1HB MET 89 13.985 -2.583 -1.960 677 2HB MET 89 2HB MET 89 12.379 -1.917 -1.750 678 1HG MET 89 1HG MET 89 13.876 -0.122 -2.064 679 2HG MET 89 2HG MET 89 13.385 -0.107 -0.372 680 1HE MET 89 1HE MET 89 16.000 -2.682 -1.841 681 2HE MET 89 2HE MET 89 17.478 -1.722 -1.784 682 3HE MET 89 3HE MET 89 16.172 -1.267 -2.876 683 H GLU 90 H GLU 90 14.355 -1.600 1.882 684 HA GLU 90 HA GLU 90 16.966 -2.678 1.564 685 1HB GLU 90 1HB GLU 90 15.632 -1.064 3.729 686 2HB GLU 90 2HB GLU 90 17.268 -1.675 3.929 687 1HG GLU 90 1HG GLU 90 17.905 -0.485 1.848 688 2HG GLU 90 2HG GLU 90 16.290 0.219 1.809 689 H LYS 91 H LYS 91 14.229 -3.363 3.659 690 HA LYS 91 HA LYS 91 15.538 -5.318 5.260 691 1HB LYS 91 1HB LYS 91 13.528 -4.232 6.057 692 2HB LYS 91 2HB LYS 91 12.613 -4.837 4.683 693 1HG LYS 91 1HG LYS 91 12.079 -6.111 6.656 694 2HG LYS 91 2HG LYS 91 12.933 -7.131 5.496 695 1HD LYS 91 1HD LYS 91 15.009 -6.822 6.746 696 2HD LYS 91 2HD LYS 91 14.168 -5.780 7.897 697 1HE LYS 91 1HE LYS 91 13.585 -8.694 7.375 698 2HE LYS 91 2HE LYS 91 14.423 -8.039 8.782 699 1HZ LYS 91 1HZ LYS 91 11.606 -7.469 8.027 700 2HZ LYS 91 2HZ LYS 91 12.408 -6.844 9.379 701 3HZ LYS 91 3HZ LYS 91 12.105 -8.506 9.268 702 H LEU 92 H LEU 92 13.878 -5.424 2.180 703 HA LEU 92 HA LEU 92 13.808 -8.313 2.147 704 1HB LEU 92 1HB LEU 92 11.991 -7.660 0.984 705 2HB LEU 92 2HB LEU 92 12.682 -6.105 0.570 706 HG LEU 92 HG LEU 92 14.049 -7.324 -1.169 707 1HD1 LEU 92 1HD1 LEU 92 12.015 -9.505 -0.719 708 2HD1 LEU 92 2HD1 LEU 92 13.683 -9.584 -0.153 709 3HD1 LEU 92 3HD1 LEU 92 13.343 -9.498 -1.879 710 1HD2 LEU 92 1HD2 LEU 92 12.303 -7.212 -2.784 711 2HD2 LEU 92 2HD2 LEU 92 11.971 -5.971 -1.575 712 3HD2 LEU 92 3HD2 LEU 92 11.067 -7.485 -1.555 713 H ALA 93 H ALA 93 15.856 -5.737 1.110 714 HA ALA 93 HA ALA 93 17.262 -7.042 -0.957 715 1HB ALA 93 1HB ALA 93 18.955 -5.343 -0.663 716 2HB ALA 93 2HB ALA 93 18.308 -4.924 0.925 717 3HB ALA 93 3HB ALA 93 17.358 -4.607 -0.527 718 H GLU 94 H GLU 94 17.464 -7.214 2.525 719 HA GLU 94 HA GLU 94 20.015 -8.559 2.557 720 1HB GLU 94 1HB GLU 94 18.020 -8.518 4.815 721 2HB GLU 94 2HB GLU 94 19.768 -8.680 4.909 722 1HG GLU 94 1HG GLU 94 18.245 -6.218 4.111 723 2HG GLU 94 2HG GLU 94 19.066 -6.489 5.648 724 H THR 95 H THR 95 16.682 -9.400 2.298 725 HA THR 95 HA THR 95 17.359 -12.249 2.579 726 HB THR 95 HB THR 95 14.905 -12.622 2.874 727 HG1 THR 95 HG1 THR 95 14.544 -9.914 3.471 728 1HG2 THR 95 1HG2 THR 95 16.369 -12.485 4.825 729 2HG2 THR 95 2HG2 THR 95 14.789 -11.784 5.179 730 3HG2 THR 95 3HG2 THR 95 16.170 -10.733 4.864 731 H GLY 96 H GLY 96 17.537 -10.221 0.316 732 1HA GLY 96 1HA GLY 96 15.649 -10.695 -1.655 733 2HA GLY 96 2HA GLY 96 17.318 -10.241 -1.949 734 H THR 97 H THR 97 15.067 -12.421 -2.670 735 HA THR 97 HA THR 97 17.087 -14.407 -3.435 736 HB THR 97 HB THR 97 16.126 -15.372 -1.455 737 HG1 THR 97 HG1 THR 97 14.846 -17.154 -2.623 738 1HG2 THR 97 1HG2 THR 97 13.422 -14.973 -2.740 739 2HG2 THR 97 2HG2 THR 97 14.062 -14.028 -1.395 740 3HG2 THR 97 3HG2 THR 97 13.737 -15.750 -1.187 741 H GLY 98 H GLY 98 16.907 -15.051 -5.482 742 1HA GLY 98 1HA GLY 98 16.144 -15.155 -7.645 743 2HA GLY 98 2HA GLY 98 14.620 -15.628 -6.913 744 H PHE 99 H PHE 99 12.935 -14.385 -7.318 745 HA PHE 99 HA PHE 99 13.261 -11.918 -8.760 746 1HB PHE 99 1HB PHE 99 11.464 -13.352 -9.428 747 2HB PHE 99 2HB PHE 99 10.843 -13.444 -7.785 748 HD1 PHE 99 HD1 PHE 99 9.161 -12.022 -7.100 749 HD2 PHE 99 HD2 PHE 99 11.435 -11.034 -10.558 750 HE1 PHE 99 HE1 PHE 99 7.632 -10.154 -7.567 751 HE2 PHE 99 HE2 PHE 99 9.909 -9.161 -11.031 752 HZ PHE 99 HZ PHE 99 8.003 -8.719 -9.532 753 H ALA 100 H ALA 100 12.424 -12.882 -5.501 754 HA ALA 100 HA ALA 100 11.292 -10.566 -4.497 755 1HB ALA 100 1HB ALA 100 13.164 -12.438 -3.053 756 2HB ALA 100 2HB ALA 100 11.429 -12.676 -3.262 757 3HB ALA 100 3HB ALA 100 12.023 -11.320 -2.306 758 H ARG 101 H ARG 101 14.718 -11.342 -4.946 759 HA ARG 101 HA ARG 101 15.740 -9.082 -3.581 760 1HB ARG 101 1HB ARG 101 17.150 -11.001 -4.024 761 2HB ARG 101 2HB ARG 101 16.937 -10.802 -5.755 762 1HG ARG 101 1HG ARG 101 19.073 -9.958 -5.300 763 2HG ARG 101 2HG ARG 101 18.047 -8.536 -5.482 764 1HD ARG 101 1HD ARG 101 17.831 -8.430 -3.018 765 2HD ARG 101 2HD ARG 101 18.963 -9.775 -2.894 766 HE ARG 101 HE ARG 101 19.750 -7.264 -4.208 767 1HH1 ARG 101 1HH1 ARG 101 20.204 -9.682 -1.742 768 2HH1 ARG 101 2HH1 ARG 101 21.735 -9.053 -1.228 769 1HH2 ARG 101 1HH2 ARG 101 21.765 -6.431 -3.539 770 2HH2 ARG 101 2HH2 ARG 101 22.621 -7.205 -2.247 771 H LYS 102 H LYS 102 15.604 -9.710 -7.101 772 HA LYS 102 HA LYS 102 16.392 -7.251 -8.025 773 1HB LYS 102 1HB LYS 102 15.990 -9.197 -9.476 774 2HB LYS 102 2HB LYS 102 14.258 -9.026 -9.229 775 1HG LYS 102 1HG LYS 102 14.281 -6.875 -10.347 776 2HG LYS 102 2HG LYS 102 16.034 -6.973 -10.536 777 1HD LYS 102 1HD LYS 102 14.110 -8.989 -11.687 778 2HD LYS 102 2HD LYS 102 14.710 -7.589 -12.578 779 1HE LYS 102 1HE LYS 102 16.366 -9.829 -11.420 780 2HE LYS 102 2HE LYS 102 16.014 -9.560 -13.127 781 1HZ LYS 102 1HZ LYS 102 18.204 -8.750 -12.587 782 2HZ LYS 102 2HZ LYS 102 17.587 -7.765 -11.359 783 3HZ LYS 102 3HZ LYS 102 17.203 -7.442 -12.974 784 H VAL 103 H VAL 103 13.381 -8.123 -6.566 785 HA VAL 103 HA VAL 103 11.756 -6.023 -7.461 786 HB VAL 103 HB VAL 103 11.734 -7.746 -5.005 787 1HG1 VAL 103 1HG1 VAL 103 9.843 -5.470 -5.598 788 2HG1 VAL 103 2HG1 VAL 103 10.897 -5.637 -4.195 789 3HG1 VAL 103 3HG1 VAL 103 9.538 -6.739 -4.413 790 1HG2 VAL 103 1HG2 VAL 103 9.765 -8.683 -5.987 791 2HG2 VAL 103 2HG2 VAL 103 11.016 -8.612 -7.228 792 3HG2 VAL 103 3HG2 VAL 103 9.717 -7.420 -7.217 793 H ALA 104 H ALA 104 13.692 -6.290 -4.483 794 HA ALA 104 HA ALA 104 13.152 -3.697 -3.530 795 1HB ALA 104 1HB ALA 104 15.043 -4.091 -2.021 796 2HB ALA 104 2HB ALA 104 15.498 -5.506 -2.968 797 3HB ALA 104 3HB ALA 104 13.967 -5.483 -2.096 798 H VAL 105 H VAL 105 16.134 -4.955 -4.974 799 HA VAL 105 HA VAL 105 17.579 -2.621 -5.119 800 HB VAL 105 HB VAL 105 17.674 -4.893 -7.103 801 1HG1 VAL 105 1HG1 VAL 105 18.868 -2.954 -7.921 802 2HG1 VAL 105 2HG1 VAL 105 20.019 -4.192 -7.418 803 3HG1 VAL 105 3HG1 VAL 105 19.718 -2.794 -6.385 804 1HG2 VAL 105 1HG2 VAL 105 19.113 -4.493 -4.484 805 2HG2 VAL 105 2HG2 VAL 105 19.484 -5.758 -5.654 806 3HG2 VAL 105 3HG2 VAL 105 17.914 -5.731 -4.853 807 H ASN 106 H ASN 106 15.871 -4.064 -7.915 808 HA ASN 106 HA ASN 106 16.252 -1.925 -9.647 809 1HB ASN 106 1HB ASN 106 15.486 -4.147 -10.370 810 2HB ASN 106 2HB ASN 106 13.931 -3.863 -9.594 811 1HD2 ASN 106 1HD2 ASN 106 15.986 -3.088 -12.270 812 2HD2 ASN 106 2HD2 ASN 106 14.794 -2.272 -13.218 813 H TYR 107 H TYR 107 13.813 -2.379 -7.171 814 HA TYR 107 HA TYR 107 11.974 -0.439 -8.028 815 1HB TYR 107 1HB TYR 107 11.130 -1.878 -6.420 816 2HB TYR 107 2HB TYR 107 12.583 -1.795 -5.435 817 HD1 TYR 107 HD1 TYR 107 12.478 -0.647 -3.487 818 HD2 TYR 107 HD2 TYR 107 9.847 0.463 -6.627 819 HE1 TYR 107 HE1 TYR 107 11.446 1.028 -2.014 820 HE2 TYR 107 HE2 TYR 107 8.802 2.142 -5.167 821 HH TYR 107 HH TYR 107 8.527 2.585 -2.781 822 H LEU 108 H LEU 108 15.034 -0.210 -6.456 823 HA LEU 108 HA LEU 108 14.838 2.248 -5.168 824 1HB LEU 108 1HB LEU 108 17.158 0.875 -6.501 825 2HB LEU 108 2HB LEU 108 17.329 2.370 -5.612 826 HG LEU 108 HG LEU 108 16.259 -0.174 -4.407 827 1HD1 LEU 108 1HD1 LEU 108 18.580 -0.469 -5.108 828 2HD1 LEU 108 2HD1 LEU 108 18.443 -0.406 -3.351 829 3HD1 LEU 108 3HD1 LEU 108 19.031 0.999 -4.240 830 1HD2 LEU 108 1HD2 LEU 108 15.491 1.716 -3.189 831 2HD2 LEU 108 2HD2 LEU 108 17.074 2.489 -3.267 832 3HD2 LEU 108 3HD2 LEU 108 16.848 1.041 -2.287 833 H GLU 109 H GLU 109 14.926 1.532 -8.530 834 HA GLU 109 HA GLU 109 15.681 4.267 -9.239 835 1HB GLU 109 1HB GLU 109 16.636 2.214 -10.401 836 2HB GLU 109 2HB GLU 109 15.051 2.008 -11.133 837 1HG GLU 109 1HG GLU 109 16.562 3.135 -12.650 838 2HG GLU 109 2HG GLU 109 15.242 4.205 -12.178 839 H THR 110 H THR 110 12.914 2.986 -8.242 840 HA THR 110 HA THR 110 11.300 4.462 -10.218 841 HB THR 110 HB THR 110 9.423 2.972 -9.728 842 HG1 THR 110 HG1 THR 110 9.894 1.058 -8.474 843 1HG2 THR 110 1HG2 THR 110 11.953 1.510 -10.494 844 2HG2 THR 110 2HG2 THR 110 10.893 2.401 -11.587 845 3HG2 THR 110 3HG2 THR 110 10.311 0.936 -10.792 846 H HIS 111 H HIS 111 12.162 4.225 -6.902 847 HA HIS 111 HA HIS 111 9.756 5.567 -5.980 848 1HB HIS 111 1HB HIS 111 10.490 5.199 -3.791 849 2HB HIS 111 2HB HIS 111 11.118 3.801 -4.660 850 HD1 HIS 111 HD1 HIS 111 12.190 6.881 -2.864 851 HD2 HIS 111 HD2 HIS 111 13.921 3.720 -4.925 852 HE1 HIS 111 HE1 HIS 111 14.644 7.000 -2.334 853 HE2 HIS 111 HE2 HIS 111 15.658 5.021 -3.519 Start of MODEL 22 1 H MET 1 H MET 1 -18.374 5.248 20.224 2 HA MET 1 HA MET 1 -17.534 6.819 18.613 3 1HB MET 1 1HB MET 1 -19.212 8.601 18.991 4 2HB MET 1 2HB MET 1 -19.869 6.989 19.231 5 1HG MET 1 1HG MET 1 -19.668 7.260 21.646 6 2HG MET 1 2HG MET 1 -18.997 8.873 21.410 7 1HE MET 1 1HE MET 1 -23.289 7.714 20.184 8 2HE MET 1 2HE MET 1 -22.316 6.660 21.209 9 3HE MET 1 3HE MET 1 -21.816 6.982 19.549 10 H ALA 2 H ALA 2 -17.511 9.481 18.659 11 HA ALA 2 HA ALA 2 -16.173 11.292 18.971 12 1HB ALA 2 1HB ALA 2 -15.454 11.809 21.255 13 2HB ALA 2 2HB ALA 2 -15.897 10.179 21.763 14 3HB ALA 2 3HB ALA 2 -17.142 11.298 21.206 15 H ASP 3 H ASP 3 -14.475 11.019 17.648 16 HA ASP 3 HA ASP 3 -12.320 10.714 16.999 17 1HB ASP 3 1HB ASP 3 -11.753 11.625 19.245 18 2HB ASP 3 2HB ASP 3 -11.764 9.984 19.882 19 H GLU 4 H GLU 4 -14.316 8.343 18.077 20 HA GLU 4 HA GLU 4 -12.536 6.240 17.044 21 1HB GLU 4 1HB GLU 4 -14.516 5.931 19.309 22 2HB GLU 4 2HB GLU 4 -13.518 4.652 18.631 23 1HG GLU 4 1HG GLU 4 -11.508 5.825 19.379 24 2HG GLU 4 2HG GLU 4 -12.515 7.102 20.063 25 H ASN 5 H ASN 5 -13.411 6.183 15.015 26 HA ASN 5 HA ASN 5 -14.843 5.613 13.349 27 1HB ASN 5 1HB ASN 5 -16.308 4.195 15.584 28 2HB ASN 5 2HB ASN 5 -16.615 3.963 13.865 29 1HD2 ASN 5 1HD2 ASN 5 -15.726 2.074 15.920 30 2HD2 ASN 5 2HD2 ASN 5 -14.240 1.411 15.338 31 H LYS 6 H LYS 6 -15.835 7.335 12.528 32 HA LYS 6 HA LYS 6 -18.308 8.260 13.834 33 1HB LYS 6 1HB LYS 6 -16.425 9.874 14.131 34 2HB LYS 6 2HB LYS 6 -16.320 10.019 12.383 35 1HG LYS 6 1HG LYS 6 -17.538 11.889 13.207 36 2HG LYS 6 2HG LYS 6 -18.677 10.828 12.377 37 1HD LYS 6 1HD LYS 6 -19.370 9.898 14.544 38 2HD LYS 6 2HD LYS 6 -18.246 10.987 15.361 39 1HE LYS 6 1HE LYS 6 -20.525 11.861 15.423 40 2HE LYS 6 2HE LYS 6 -19.462 12.913 14.487 41 1HZ LYS 6 1HZ LYS 6 -21.374 10.930 13.374 42 2HZ LYS 6 2HZ LYS 6 -20.331 11.899 12.460 43 3HZ LYS 6 3HZ LYS 6 -21.567 12.611 13.369 44 H TRP 7 H TRP 7 -16.744 7.136 11.047 45 HA TRP 7 HA TRP 7 -19.197 7.498 9.490 46 1HB TRP 7 1HB TRP 7 -17.930 8.133 7.492 47 2HB TRP 7 2HB TRP 7 -17.671 9.297 8.788 48 HD1 TRP 7 HD1 TRP 7 -15.262 8.887 10.207 49 HE1 TRP 7 HE1 TRP 7 -12.959 8.259 9.245 50 HE3 TRP 7 HE3 TRP 7 -16.754 6.977 5.705 51 HZ2 TRP 7 HZ2 TRP 7 -11.913 7.109 6.889 52 HZ3 TRP 7 HZ3 TRP 7 -15.040 6.136 4.154 53 HH2 TRP 7 HH2 TRP 7 -12.669 6.201 4.735 54 H VAL 8 H VAL 8 -17.837 5.283 10.931 55 HA VAL 8 HA VAL 8 -16.757 3.499 8.976 56 HB VAL 8 HB VAL 8 -16.277 3.457 11.464 57 1HG1 VAL 8 1HG1 VAL 8 -18.895 1.971 11.594 58 2HG1 VAL 8 2HG1 VAL 8 -18.634 3.611 12.190 59 3HG1 VAL 8 3HG1 VAL 8 -17.769 2.258 12.922 60 1HG2 VAL 8 1HG2 VAL 8 -17.109 0.889 10.119 61 2HG2 VAL 8 2HG2 VAL 8 -16.090 1.000 11.553 62 3HG2 VAL 8 3HG2 VAL 8 -15.530 1.670 10.021 63 H ARG 9 H ARG 9 -19.691 4.651 8.948 64 HA ARG 9 HA ARG 9 -20.806 2.279 7.721 65 1HB ARG 9 1HB ARG 9 -21.382 2.148 10.193 66 2HB ARG 9 2HB ARG 9 -22.341 3.604 9.970 67 1HG ARG 9 1HG ARG 9 -23.747 2.441 8.354 68 2HG ARG 9 2HG ARG 9 -22.775 0.983 8.552 69 1HD ARG 9 1HD ARG 9 -23.402 0.884 10.912 70 2HD ARG 9 2HD ARG 9 -24.363 2.350 10.723 71 HE ARG 9 HE ARG 9 -25.243 0.452 8.859 72 1HH1 ARG 9 1HH1 ARG 9 -25.210 0.985 12.303 73 2HH1 ARG 9 2HH1 ARG 9 -26.663 0.086 12.585 74 1HH2 ARG 9 1HH2 ARG 9 -27.157 -0.731 9.223 75 2HH2 ARG 9 2HH2 ARG 9 -27.769 -0.889 10.835 76 H ARG 10 H ARG 10 -20.359 5.559 7.843 77 HA ARG 10 HA ARG 10 -22.766 6.551 6.774 78 1HB ARG 10 1HB ARG 10 -21.002 8.067 7.544 79 2HB ARG 10 2HB ARG 10 -19.917 7.473 6.295 80 1HG ARG 10 1HG ARG 10 -21.565 8.325 4.601 81 2HG ARG 10 2HG ARG 10 -22.417 9.103 5.936 82 1HD ARG 10 1HD ARG 10 -20.459 10.411 6.473 83 2HD ARG 10 2HD ARG 10 -19.519 9.566 5.242 84 HE ARG 10 HE ARG 10 -21.818 10.800 4.118 85 1HH1 ARG 10 1HH1 ARG 10 -18.615 11.482 5.309 86 2HH1 ARG 10 2HH1 ARG 10 -18.406 12.886 4.316 87 1HH2 ARG 10 1HH2 ARG 10 -21.550 12.644 2.807 88 2HH2 ARG 10 2HH2 ARG 10 -20.074 13.547 2.895 89 H ASP 11 H ASP 11 -23.718 5.528 5.107 90 HA ASP 11 HA ASP 11 -24.053 4.655 3.025 91 1HB ASP 11 1HB ASP 11 -22.891 6.747 2.274 92 2HB ASP 11 2HB ASP 11 -21.363 5.875 2.347 93 H VAL 12 H VAL 12 -22.841 3.216 5.135 94 HA VAL 12 HA VAL 12 -20.602 1.750 4.753 95 HB VAL 12 HB VAL 12 -22.020 1.483 6.711 96 1HG1 VAL 12 1HG1 VAL 12 -23.871 -0.133 4.964 97 2HG1 VAL 12 2HG1 VAL 12 -24.183 1.520 5.492 98 3HG1 VAL 12 3HG1 VAL 12 -24.068 0.223 6.681 99 1HG2 VAL 12 1HG2 VAL 12 -20.395 -0.267 6.230 100 2HG2 VAL 12 2HG2 VAL 12 -21.589 -1.126 5.256 101 3HG2 VAL 12 3HG2 VAL 12 -21.835 -0.943 6.993 102 H SER 13 H SER 13 -20.149 -0.344 3.902 103 HA SER 13 HA SER 13 -21.905 -1.487 1.931 104 1HB SER 13 1HB SER 13 -20.833 0.513 0.832 105 2HB SER 13 2HB SER 13 -19.284 -0.308 1.011 106 HG SER 13 HG SER 13 -21.093 -0.625 -0.909 107 H THR 14 H THR 14 -19.842 -2.817 0.455 108 HA THR 14 HA THR 14 -19.402 -5.087 1.967 109 HB THR 14 HB THR 14 -17.410 -4.296 -0.125 110 HG1 THR 14 HG1 THR 14 -19.096 -5.149 -1.631 111 1HG2 THR 14 1HG2 THR 14 -17.155 -6.476 0.923 112 2HG2 THR 14 2HG2 THR 14 -17.652 -6.668 -0.758 113 3HG2 THR 14 3HG2 THR 14 -18.828 -6.877 0.538 114 H ALA 15 H ALA 15 -17.104 -5.983 2.473 115 HA ALA 15 HA ALA 15 -15.970 -4.163 4.399 116 1HB ALA 15 1HB ALA 15 -16.401 -6.582 4.848 117 2HB ALA 15 2HB ALA 15 -14.778 -6.024 5.255 118 3HB ALA 15 3HB ALA 15 -15.046 -6.954 3.781 119 H LEU 16 H LEU 16 -14.325 -6.263 2.012 120 HA LEU 16 HA LEU 16 -12.074 -4.444 2.039 121 1HB LEU 16 1HB LEU 16 -10.823 -6.106 0.958 122 2HB LEU 16 2HB LEU 16 -11.821 -6.930 2.133 123 HG LEU 16 HG LEU 16 -11.876 -8.332 0.286 124 1HD1 LEU 16 1HD1 LEU 16 -14.311 -6.585 0.022 125 2HD1 LEU 16 2HD1 LEU 16 -14.118 -7.988 1.074 126 3HD1 LEU 16 3HD1 LEU 16 -14.131 -8.194 -0.677 127 1HD2 LEU 16 1HD2 LEU 16 -12.047 -7.691 -1.998 128 2HD2 LEU 16 2HD2 LEU 16 -10.801 -6.691 -1.251 129 3HD2 LEU 16 3HD2 LEU 16 -12.400 -6.020 -1.564 130 H SER 17 H SER 17 -14.852 -4.764 0.118 131 HA SER 17 HA SER 17 -13.954 -4.284 -2.451 132 1HB SER 17 1HB SER 17 -16.305 -4.690 -1.962 133 2HB SER 17 2HB SER 17 -16.419 -3.142 -1.126 134 HG SER 17 HG SER 17 -15.904 -2.136 -3.134 135 H ARG 18 H ARG 18 -14.801 -1.795 -0.017 136 HA ARG 18 HA ARG 18 -12.666 -0.106 -0.517 137 1HB ARG 18 1HB ARG 18 -13.946 -0.033 -2.803 138 2HB ARG 18 2HB ARG 18 -15.030 1.052 -1.945 139 1HG ARG 18 1HG ARG 18 -13.225 2.567 -1.475 140 2HG ARG 18 2HG ARG 18 -12.058 1.451 -2.184 141 1HD ARG 18 1HD ARG 18 -13.409 1.660 -4.332 142 2HD ARG 18 2HD ARG 18 -14.209 3.032 -3.564 143 HE ARG 18 HE ARG 18 -11.394 3.306 -3.416 144 1HH1 ARG 18 1HH1 ARG 18 -14.066 3.569 -5.639 145 2HH1 ARG 18 2HH1 ARG 18 -13.268 4.720 -6.658 146 1HH2 ARG 18 1HH2 ARG 18 -10.340 4.816 -4.750 147 2HH2 ARG 18 2HH2 ARG 18 -11.150 5.429 -6.153 148 H MET 19 H MET 19 -12.795 0.323 1.655 149 HA MET 19 HA MET 19 -14.980 2.119 2.440 150 1HB MET 19 1HB MET 19 -13.887 -0.124 4.144 151 2HB MET 19 2HB MET 19 -15.044 1.088 4.678 152 1HG MET 19 1HG MET 19 -16.336 0.159 2.525 153 2HG MET 19 2HG MET 19 -15.427 -1.285 2.974 154 1HE MET 19 1HE MET 19 -15.270 -1.222 6.120 155 2HE MET 19 2HE MET 19 -15.708 -2.612 5.132 156 3HE MET 19 3HE MET 19 -16.724 -2.144 6.497 157 H GLY 20 H GLY 20 -11.700 1.532 2.183 158 1HA GLY 20 1HA GLY 20 -9.984 3.054 2.606 159 2HA GLY 20 2HA GLY 20 -11.090 3.989 3.600 160 H ASP 21 H ASP 21 -10.689 3.984 5.702 161 HA ASP 21 HA ASP 21 -8.632 2.411 6.845 162 1HB ASP 21 1HB ASP 21 -10.790 4.059 8.186 163 2HB ASP 21 2HB ASP 21 -9.359 3.414 8.989 164 H GLU 22 H GLU 22 -12.018 1.940 6.443 165 HA GLU 22 HA GLU 22 -12.274 -0.058 8.510 166 1HB GLU 22 1HB GLU 22 -14.242 0.326 6.282 167 2HB GLU 22 2HB GLU 22 -14.537 -0.142 7.949 168 1HG GLU 22 1HG GLU 22 -14.244 2.057 8.723 169 2HG GLU 22 2HG GLU 22 -13.545 2.586 7.194 170 H ALA 23 H ALA 23 -11.469 0.057 5.155 171 HA ALA 23 HA ALA 23 -11.885 -2.814 4.813 172 1HB ALA 23 1HB ALA 23 -11.577 -2.455 2.484 173 2HB ALA 23 2HB ALA 23 -10.905 -0.848 2.757 174 3HB ALA 23 3HB ALA 23 -12.612 -1.154 3.076 175 H PHE 24 H PHE 24 -9.432 -0.694 5.736 176 HA PHE 24 HA PHE 24 -7.164 -1.867 4.562 177 1HB PHE 24 1HB PHE 24 -7.444 0.343 5.930 178 2HB PHE 24 2HB PHE 24 -7.085 -0.688 7.313 179 HD1 PHE 24 HD1 PHE 24 -5.645 1.538 5.199 180 HD2 PHE 24 HD2 PHE 24 -5.032 -2.413 6.643 181 HE1 PHE 24 HE1 PHE 24 -3.251 1.732 4.708 182 HE2 PHE 24 HE2 PHE 24 -2.640 -2.228 6.152 183 HZ PHE 24 HZ PHE 24 -1.738 -0.151 5.186 184 H GLU 25 H GLU 25 -8.806 -2.514 7.640 185 HA GLU 25 HA GLU 25 -6.979 -4.441 8.552 186 1HB GLU 25 1HB GLU 25 -9.677 -3.563 9.297 187 2HB GLU 25 2HB GLU 25 -9.299 -5.234 9.687 188 1HG GLU 25 1HG GLU 25 -7.324 -4.506 10.925 189 2HG GLU 25 2HG GLU 25 -7.693 -2.829 10.524 190 HA PRO 26 HA PRO 26 -10.263 -7.776 6.819 191 1HB PRO 26 1HB PRO 26 -10.882 -6.101 4.411 192 2HB PRO 26 2HB PRO 26 -11.880 -7.319 5.218 193 1HG PRO 26 1HG PRO 26 -12.345 -4.732 5.611 194 2HG PRO 26 2HG PRO 26 -12.460 -5.887 6.953 195 1HD PRO 26 1HD PRO 26 -10.351 -3.874 6.363 196 2HD PRO 26 2HD PRO 26 -10.921 -4.489 7.925 197 H LEU 27 H LEU 27 -8.203 -5.565 5.104 198 HA LEU 27 HA LEU 27 -7.242 -7.366 3.122 199 1HB LEU 27 1HB LEU 27 -6.249 -4.779 4.283 200 2HB LEU 27 2HB LEU 27 -5.352 -5.633 3.038 201 HG LEU 27 HG LEU 27 -8.192 -4.662 2.702 202 1HD1 LEU 27 1HD1 LEU 27 -5.585 -3.395 1.883 203 2HD1 LEU 27 2HD1 LEU 27 -6.799 -2.735 2.981 204 3HD1 LEU 27 3HD1 LEU 27 -7.165 -2.911 1.264 205 1HD2 LEU 27 1HD2 LEU 27 -7.652 -6.508 1.246 206 2HD2 LEU 27 2HD2 LEU 27 -6.152 -5.720 0.752 207 3HD2 LEU 27 3HD2 LEU 27 -7.706 -5.016 0.308 208 H LEU 28 H LEU 28 -5.799 -6.039 6.081 209 HA LEU 28 HA LEU 28 -3.549 -7.730 6.147 210 1HB LEU 28 1HB LEU 28 -3.402 -5.775 7.428 211 2HB LEU 28 2HB LEU 28 -4.975 -6.019 8.156 212 HG LEU 28 HG LEU 28 -3.997 -7.939 9.444 213 1HD1 LEU 28 1HD1 LEU 28 -2.112 -8.566 8.192 214 2HD1 LEU 28 2HD1 LEU 28 -1.472 -7.834 9.664 215 3HD1 LEU 28 3HD1 LEU 28 -1.485 -6.918 8.156 216 1HD2 LEU 28 1HD2 LEU 28 -2.712 -5.244 9.869 217 2HD2 LEU 28 2HD2 LEU 28 -2.880 -6.520 11.075 218 3HD2 LEU 28 3HD2 LEU 28 -4.315 -5.721 10.430 219 H GLU 29 H GLU 29 -6.831 -8.249 6.861 220 HA GLU 29 HA GLU 29 -6.426 -10.440 8.690 221 1HB GLU 29 1HB GLU 29 -8.402 -9.010 8.905 222 2HB GLU 29 2HB GLU 29 -8.920 -9.466 7.287 223 1HG GLU 29 1HG GLU 29 -9.281 -11.731 7.978 224 2HG GLU 29 2HG GLU 29 -8.599 -11.398 9.569 225 H SER 30 H SER 30 -6.936 -9.954 5.278 226 HA SER 30 HA SER 30 -7.711 -12.576 4.588 227 1HB SER 30 1HB SER 30 -8.037 -10.716 3.046 228 2HB SER 30 2HB SER 30 -6.295 -10.477 2.932 229 HG SER 30 HG SER 30 -6.320 -12.785 2.194 230 H LEU 31 H LEU 31 -4.719 -11.295 5.598 231 HA LEU 31 HA LEU 31 -2.961 -13.024 4.214 232 1HB LEU 31 1HB LEU 31 -2.647 -11.585 6.845 233 2HB LEU 31 2HB LEU 31 -1.351 -12.453 6.043 234 HG LEU 31 HG LEU 31 -2.798 -10.043 4.936 235 1HD1 LEU 31 1HD1 LEU 31 -0.724 -8.860 5.316 236 2HD1 LEU 31 2HD1 LEU 31 0.018 -10.319 5.974 237 3HD1 LEU 31 3HD1 LEU 31 -1.313 -9.543 6.833 238 1HD2 LEU 31 1HD2 LEU 31 -1.125 -10.096 3.168 239 2HD2 LEU 31 2HD2 LEU 31 -2.066 -11.587 3.182 240 3HD2 LEU 31 3HD2 LEU 31 -0.434 -11.567 3.849 241 H SER 32 H SER 32 -5.083 -13.509 6.861 242 HA SER 32 HA SER 32 -3.698 -15.898 7.780 243 1HB SER 32 1HB SER 32 -6.335 -14.711 8.683 244 2HB SER 32 2HB SER 32 -5.471 -16.031 9.472 245 HG SER 32 HG SER 32 -4.788 -14.312 10.575 246 H ASN 33 H ASN 33 -5.038 -15.532 5.065 247 HA ASN 33 HA ASN 33 -6.992 -17.717 5.192 248 1HB ASN 33 1HB ASN 33 -6.394 -15.672 3.051 249 2HB ASN 33 2HB ASN 33 -7.490 -17.028 2.810 250 1HD2 ASN 33 1HD2 ASN 33 -8.468 -16.948 5.554 251 2HD2 ASN 33 2HD2 ASN 33 -9.519 -15.580 5.647 252 H GLU 34 H GLU 34 -6.588 -19.669 4.376 253 HA GLU 34 HA GLU 34 -3.956 -20.418 3.662 254 1HB GLU 34 1HB GLU 34 -6.561 -21.921 3.365 255 2HB GLU 34 2HB GLU 34 -4.963 -22.632 3.180 256 1HG GLU 34 1HG GLU 34 -6.083 -21.403 5.688 257 2HG GLU 34 2HG GLU 34 -5.882 -23.124 5.365 258 H ASP 35 H ASP 35 -6.393 -18.977 1.836 259 HA ASP 35 HA ASP 35 -5.661 -20.223 -0.677 260 1HB ASP 35 1HB ASP 35 -7.503 -17.884 -0.141 261 2HB ASP 35 2HB ASP 35 -7.337 -18.740 -1.671 262 H TRP 36 H TRP 36 -4.304 -19.441 -2.160 263 HA TRP 36 HA TRP 36 -2.621 -17.208 -1.483 264 1HB TRP 36 1HB TRP 36 -1.492 -17.767 -3.652 265 2HB TRP 36 2HB TRP 36 -1.585 -19.118 -2.527 266 HD1 TRP 36 HD1 TRP 36 -3.333 -21.099 -3.136 267 HE1 TRP 36 HE1 TRP 36 -4.301 -21.852 -5.398 268 HE3 TRP 36 HE3 TRP 36 -2.241 -16.951 -5.922 269 HZ2 TRP 36 HZ2 TRP 36 -4.568 -20.836 -8.006 270 HZ3 TRP 36 HZ3 TRP 36 -2.889 -16.928 -8.296 271 HH2 TRP 36 HH2 TRP 36 -4.029 -18.833 -9.311 272 H ARG 37 H ARG 37 -5.267 -17.868 -3.655 273 HA ARG 37 HA ARG 37 -5.026 -15.627 -5.334 274 1HB ARG 37 1HB ARG 37 -6.429 -17.662 -5.760 275 2HB ARG 37 2HB ARG 37 -7.566 -17.067 -4.558 276 1HG ARG 37 1HG ARG 37 -7.794 -14.992 -5.940 277 2HG ARG 37 2HG ARG 37 -6.847 -15.807 -7.186 278 1HD ARG 37 1HD ARG 37 -8.528 -17.628 -7.206 279 2HD ARG 37 2HD ARG 37 -9.492 -16.708 -6.051 280 HE ARG 37 HE ARG 37 -8.818 -15.597 -8.691 281 1HH1 ARG 37 1HH1 ARG 37 -11.162 -16.529 -6.286 282 2HH1 ARG 37 2HH1 ARG 37 -12.497 -15.813 -7.125 283 1HH2 ARG 37 1HH2 ARG 37 -10.569 -14.653 -9.801 284 2HH2 ARG 37 2HH2 ARG 37 -12.160 -14.747 -9.123 285 H ILE 38 H ILE 38 -7.037 -16.168 -2.437 286 HA ILE 38 HA ILE 38 -8.142 -13.562 -2.404 287 HB ILE 38 HB ILE 38 -7.841 -15.519 -0.120 288 1HG1 ILE 38 1HG1 ILE 38 -10.185 -14.980 -1.962 289 2HG1 ILE 38 2HG1 ILE 38 -9.134 -16.389 -2.045 290 1HG2 ILE 38 1HG2 ILE 38 -8.208 -13.218 0.646 291 2HG2 ILE 38 2HG2 ILE 38 -9.608 -14.242 0.971 292 3HG2 ILE 38 3HG2 ILE 38 -9.639 -13.108 -0.380 293 1HD1 ILE 38 1HD1 ILE 38 -9.879 -17.084 0.164 294 2HD1 ILE 38 2HD1 ILE 38 -11.241 -16.898 -0.941 295 3HD1 ILE 38 3HD1 ILE 38 -10.912 -15.660 0.271 296 H ARG 39 H ARG 39 -5.524 -15.029 -0.468 297 HA ARG 39 HA ARG 39 -4.870 -12.743 1.000 298 1HB ARG 39 1HB ARG 39 -4.042 -15.006 1.542 299 2HB ARG 39 2HB ARG 39 -3.011 -14.961 0.118 300 1HG ARG 39 1HG ARG 39 -1.863 -12.983 1.082 301 2HG ARG 39 2HG ARG 39 -2.825 -13.190 2.543 302 1HD ARG 39 1HD ARG 39 -0.913 -15.213 1.381 303 2HD ARG 39 2HD ARG 39 -0.597 -14.178 2.773 304 HE ARG 39 HE ARG 39 -2.950 -15.729 3.153 305 1HH1 ARG 39 1HH1 ARG 39 0.531 -15.901 3.202 306 2HH1 ARG 39 2HH1 ARG 39 0.579 -17.217 4.327 307 1HH2 ARG 39 1HH2 ARG 39 -2.894 -17.462 4.641 308 2HH2 ARG 39 2HH2 ARG 39 -1.367 -18.105 5.143 309 H GLY 40 H GLY 40 -4.206 -13.590 -2.282 310 1HA GLY 40 1HA GLY 40 -1.966 -11.889 -2.696 311 2HA GLY 40 2HA GLY 40 -3.007 -12.551 -3.947 312 H ALA 41 H ALA 41 -5.368 -11.482 -3.683 313 HA ALA 41 HA ALA 41 -5.223 -8.937 -4.703 314 1HB ALA 41 1HB ALA 41 -7.209 -10.414 -4.796 315 2HB ALA 41 2HB ALA 41 -7.593 -8.758 -4.329 316 3HB ALA 41 3HB ALA 41 -7.535 -10.028 -3.107 317 H ALA 42 H ALA 42 -5.507 -9.909 -1.320 318 HA ALA 42 HA ALA 42 -6.062 -7.424 -0.187 319 1HB ALA 42 1HB ALA 42 -4.418 -9.665 0.985 320 2HB ALA 42 2HB ALA 42 -6.174 -9.518 1.067 321 3HB ALA 42 3HB ALA 42 -5.150 -8.337 1.887 322 H ALA 43 H ALA 43 -2.915 -8.989 -0.680 323 HA ALA 43 HA ALA 43 -1.336 -6.815 0.201 324 1HB ALA 43 1HB ALA 43 -0.706 -9.141 -1.607 325 2HB ALA 43 2HB ALA 43 -0.420 -9.027 0.130 326 3HB ALA 43 3HB ALA 43 0.496 -8.011 -0.984 327 H TRP 44 H TRP 44 -2.701 -7.703 -2.889 328 HA TRP 44 HA TRP 44 -1.164 -6.001 -4.521 329 1HB TRP 44 1HB TRP 44 -3.696 -7.536 -4.823 330 2HB TRP 44 2HB TRP 44 -3.331 -6.299 -6.021 331 HD1 TRP 44 HD1 TRP 44 -1.214 -9.114 -4.363 332 HE1 TRP 44 HE1 TRP 44 0.092 -10.314 -6.227 333 HE3 TRP 44 HE3 TRP 44 -2.912 -6.455 -8.383 334 HZ2 TRP 44 HZ2 TRP 44 0.372 -10.155 -9.027 335 HZ3 TRP 44 HZ3 TRP 44 -2.079 -7.044 -10.622 336 HH2 TRP 44 HH2 TRP 44 -0.472 -8.856 -10.937 337 H ILE 45 H ILE 45 -3.992 -5.419 -2.557 338 HA ILE 45 HA ILE 45 -4.386 -2.797 -3.814 339 HB ILE 45 HB ILE 45 -6.132 -4.162 -1.763 340 1HG1 ILE 45 1HG1 ILE 45 -6.552 -3.935 -4.751 341 2HG1 ILE 45 2HG1 ILE 45 -5.969 -5.386 -3.944 342 1HG2 ILE 45 1HG2 ILE 45 -6.376 -1.749 -1.770 343 2HG2 ILE 45 2HG2 ILE 45 -7.807 -2.505 -2.470 344 3HG2 ILE 45 3HG2 ILE 45 -6.604 -1.756 -3.519 345 1HD1 ILE 45 1HD1 ILE 45 -8.634 -4.078 -3.454 346 2HD1 ILE 45 2HD1 ILE 45 -8.052 -5.575 -2.726 347 3HD1 ILE 45 3HD1 ILE 45 -8.355 -5.497 -4.461 348 H ILE 46 H ILE 46 -3.309 -4.325 -0.898 349 HA ILE 46 HA ILE 46 -3.602 -2.249 0.935 350 HB ILE 46 HB ILE 46 -2.767 -4.750 1.186 351 1HG1 ILE 46 1HG1 ILE 46 -1.531 -2.903 3.165 352 2HG1 ILE 46 2HG1 ILE 46 -3.267 -2.753 2.877 353 1HG2 ILE 46 1HG2 ILE 46 -0.622 -4.302 0.021 354 2HG2 ILE 46 2HG2 ILE 46 -0.421 -4.951 1.648 355 3HG2 ILE 46 3HG2 ILE 46 -0.170 -3.231 1.347 356 1HD1 ILE 46 1HD1 ILE 46 -2.768 -4.219 4.763 357 2HD1 ILE 46 2HD1 ILE 46 -1.845 -5.276 3.693 358 3HD1 ILE 46 3HD1 ILE 46 -3.583 -5.084 3.460 359 H GLY 47 H GLY 47 -1.191 -2.723 -1.564 360 1HA GLY 47 1HA GLY 47 0.730 -0.892 -0.565 361 2HA GLY 47 2HA GLY 47 0.615 -1.465 -2.218 362 H ASN 48 H ASN 48 -2.263 -0.391 -2.217 363 HA ASN 48 HA ASN 48 -1.615 2.112 -3.406 364 1HB ASN 48 1HB ASN 48 -4.260 0.827 -2.722 365 2HB ASN 48 2HB ASN 48 -4.119 2.362 -3.575 366 1HD2 ASN 48 1HD2 ASN 48 -3.474 -1.068 -3.728 367 2HD2 ASN 48 2HD2 ASN 48 -3.309 -1.156 -5.446 368 H PHE 49 H PHE 49 -2.573 1.176 -0.203 369 HA PHE 49 HA PHE 49 -3.608 3.690 0.618 370 1HB PHE 49 1HB PHE 49 -2.608 1.276 2.099 371 2HB PHE 49 2HB PHE 49 -3.090 2.737 2.955 372 HD1 PHE 49 HD1 PHE 49 -4.232 -0.125 1.007 373 HD2 PHE 49 HD2 PHE 49 -5.407 3.453 2.989 374 HE1 PHE 49 HE1 PHE 49 -6.581 -0.856 0.929 375 HE2 PHE 49 HE2 PHE 49 -7.756 2.728 2.916 376 HZ PHE 49 HZ PHE 49 -8.346 0.570 1.885 377 H GLN 50 H GLN 50 -0.373 2.296 0.631 378 HA GLN 50 HA GLN 50 1.685 3.224 0.947 379 1HB GLN 50 1HB GLN 50 0.124 5.802 0.709 380 2HB GLN 50 2HB GLN 50 1.876 5.728 0.829 381 1HG GLN 50 1HG GLN 50 2.079 4.662 -1.250 382 2HG GLN 50 2HG GLN 50 0.359 4.295 -1.316 383 1HE2 GLN 50 1HE2 GLN 50 -1.104 5.943 -1.830 384 2HE2 GLN 50 2HE2 GLN 50 -0.593 7.410 -2.584 385 H ASP 51 H ASP 51 -0.401 2.793 3.125 386 HA ASP 51 HA ASP 51 0.525 4.585 5.214 387 1HB ASP 51 1HB ASP 51 -1.590 2.456 5.054 388 2HB ASP 51 2HB ASP 51 -1.097 3.135 6.599 389 H GLU 52 H GLU 52 1.167 3.653 7.331 390 HA GLU 52 HA GLU 52 3.434 2.014 7.056 391 1HB GLU 52 1HB GLU 52 3.510 2.039 9.514 392 2HB GLU 52 2HB GLU 52 3.222 3.644 8.855 393 1HG GLU 52 1HG GLU 52 0.796 3.322 9.308 394 2HG GLU 52 2HG GLU 52 1.200 1.809 10.117 395 H ARG 53 H ARG 53 0.125 1.317 8.015 396 HA ARG 53 HA ARG 53 0.588 -1.336 8.900 397 1HB ARG 53 1HB ARG 53 -1.420 0.035 9.482 398 2HB ARG 53 2HB ARG 53 -1.986 -0.159 7.831 399 1HG ARG 53 1HG ARG 53 -2.285 -2.495 8.113 400 2HG ARG 53 2HG ARG 53 -1.441 -2.479 9.664 401 1HD ARG 53 1HD ARG 53 -4.027 -1.035 9.099 402 2HD ARG 53 2HD ARG 53 -3.913 -2.617 9.869 403 HE ARG 53 HE ARG 53 -2.396 -1.216 11.503 404 1HH1 ARG 53 1HH1 ARG 53 -5.424 -0.315 10.032 405 2HH1 ARG 53 2HH1 ARG 53 -5.904 0.709 11.343 406 1HH2 ARG 53 1HH2 ARG 53 -3.023 0.128 13.236 407 2HH2 ARG 53 2HH2 ARG 53 -4.540 0.961 13.164 408 H ALA 54 H ALA 54 0.780 0.011 5.860 409 HA ALA 54 HA ALA 54 -0.016 -2.461 4.481 410 1HB ALA 54 1HB ALA 54 -1.078 -0.567 3.515 411 2HB ALA 54 2HB ALA 54 0.211 -1.043 2.409 412 3HB ALA 54 3HB ALA 54 0.432 0.343 3.478 413 H VAL 55 H VAL 55 2.615 -1.099 5.841 414 HA VAL 55 HA VAL 55 4.542 -1.761 3.780 415 HB VAL 55 HB VAL 55 5.029 -0.859 6.621 416 1HG1 VAL 55 1HG1 VAL 55 7.233 -0.181 5.715 417 2HG1 VAL 55 2HG1 VAL 55 6.816 -0.990 4.204 418 3HG1 VAL 55 3HG1 VAL 55 6.965 -1.924 5.692 419 1HG2 VAL 55 1HG2 VAL 55 3.755 0.833 5.484 420 2HG2 VAL 55 2HG2 VAL 55 4.807 0.736 4.072 421 3HG2 VAL 55 3HG2 VAL 55 5.431 1.368 5.596 422 H GLU 56 H GLU 56 3.358 -3.048 6.828 423 HA GLU 56 HA GLU 56 5.376 -4.945 7.280 424 1HB GLU 56 1HB GLU 56 3.765 -4.337 9.007 425 2HB GLU 56 2HB GLU 56 2.464 -5.065 8.073 426 1HG GLU 56 1HG GLU 56 4.797 -6.757 8.782 427 2HG GLU 56 2HG GLU 56 3.644 -6.345 10.053 428 HA PRO 57 HA PRO 57 2.273 -8.043 4.897 429 1HB PRO 57 1HB PRO 57 1.606 -6.001 2.823 430 2HB PRO 57 2HB PRO 57 0.638 -7.354 3.420 431 1HG PRO 57 1HG PRO 57 0.124 -4.862 4.203 432 2HG PRO 57 2HG PRO 57 -0.012 -6.222 5.332 433 1HD PRO 57 1HD PRO 57 2.081 -4.118 5.141 434 2HD PRO 57 2HD PRO 57 1.480 -4.990 6.564 435 H LEU 58 H LEU 58 3.762 -5.393 3.048 436 HA LEU 58 HA LEU 58 4.840 -6.946 1.007 437 1HB LEU 58 1HB LEU 58 6.196 -4.474 2.028 438 2HB LEU 58 2HB LEU 58 6.075 -5.054 0.379 439 HG LEU 58 HG LEU 58 3.830 -3.872 2.013 440 1HD1 LEU 58 1HD1 LEU 58 5.491 -2.243 1.248 441 2HD1 LEU 58 2HD1 LEU 58 3.931 -2.030 0.453 442 3HD1 LEU 58 3HD1 LEU 58 5.261 -2.803 -0.407 443 1HD2 LEU 58 1HD2 LEU 58 2.553 -3.978 -0.104 444 2HD2 LEU 58 2HD2 LEU 58 2.938 -5.566 0.560 445 3HD2 LEU 58 3HD2 LEU 58 3.859 -4.935 -0.805 446 H ILE 59 H ILE 59 6.036 -6.343 4.240 447 HA ILE 59 HA ILE 59 8.714 -7.069 3.835 448 HB ILE 59 HB ILE 59 7.007 -7.201 6.308 449 1HG1 ILE 59 1HG1 ILE 59 7.485 -4.954 5.403 450 2HG1 ILE 59 2HG1 ILE 59 8.267 -5.209 6.960 451 1HG2 ILE 59 1HG2 ILE 59 8.737 -8.854 6.575 452 2HG2 ILE 59 2HG2 ILE 59 9.124 -7.448 7.567 453 3HG2 ILE 59 3HG2 ILE 59 9.966 -7.709 6.040 454 1HD1 ILE 59 1HD1 ILE 59 9.656 -5.499 4.307 455 2HD1 ILE 59 2HD1 ILE 59 10.392 -5.511 5.910 456 3HD1 ILE 59 3HD1 ILE 59 9.666 -4.031 5.284 457 H LYS 60 H LYS 60 6.099 -9.071 5.220 458 HA LYS 60 HA LYS 60 7.649 -11.454 5.153 459 1HB LYS 60 1HB LYS 60 5.750 -11.081 6.704 460 2HB LYS 60 2HB LYS 60 4.647 -11.157 5.337 461 1HG LYS 60 1HG LYS 60 5.556 -13.477 4.901 462 2HG LYS 60 2HG LYS 60 6.333 -13.362 6.480 463 1HD LYS 60 1HD LYS 60 3.373 -13.116 5.941 464 2HD LYS 60 2HD LYS 60 4.186 -14.525 6.624 465 1HE LYS 60 1HE LYS 60 4.862 -13.226 8.561 466 2HE LYS 60 2HE LYS 60 4.136 -11.776 7.868 467 1HZ LYS 60 1HZ LYS 60 2.718 -12.838 9.539 468 2HZ LYS 60 2HZ LYS 60 2.642 -14.238 8.593 469 3HZ LYS 60 3HZ LYS 60 1.976 -12.793 8.019 470 H LEU 61 H LEU 61 5.316 -10.003 2.976 471 HA LEU 61 HA LEU 61 4.737 -12.136 1.311 472 1HB LEU 61 1HB LEU 61 4.791 -9.187 1.006 473 2HB LEU 61 2HB LEU 61 4.655 -10.151 -0.452 474 HG LEU 61 HG LEU 61 2.546 -10.907 0.068 475 1HD1 LEU 61 1HD1 LEU 61 2.842 -11.945 2.157 476 2HD1 LEU 61 2HD1 LEU 61 1.595 -10.726 2.420 477 3HD1 LEU 61 3HD1 LEU 61 3.250 -10.425 2.949 478 1HD2 LEU 61 1HD2 LEU 61 1.282 -8.962 1.049 479 2HD2 LEU 61 2HD2 LEU 61 2.322 -8.589 -0.326 480 3HD2 LEU 61 3HD2 LEU 61 2.844 -8.187 1.309 481 H LEU 62 H LEU 62 7.282 -9.684 0.791 482 HA LEU 62 HA LEU 62 8.384 -10.755 -1.507 483 1HB LEU 62 1HB LEU 62 9.812 -9.343 0.748 484 2HB LEU 62 2HB LEU 62 10.449 -9.570 -0.870 485 HG LEU 62 HG LEU 62 7.855 -8.123 -0.452 486 1HD1 LEU 62 1HD1 LEU 62 9.382 -6.981 1.008 487 2HD1 LEU 62 2HD1 LEU 62 9.161 -6.012 -0.449 488 3HD1 LEU 62 3HD1 LEU 62 10.628 -6.964 -0.237 489 1HD2 LEU 62 1HD2 LEU 62 8.503 -8.822 -2.719 490 2HD2 LEU 62 2HD2 LEU 62 10.006 -7.913 -2.559 491 3HD2 LEU 62 3HD2 LEU 62 8.457 -7.068 -2.552 492 H GLU 63 H GLU 63 8.310 -12.140 1.568 493 HA GLU 63 HA GLU 63 10.555 -13.930 0.914 494 1HB GLU 63 1HB GLU 63 10.010 -12.469 3.251 495 2HB GLU 63 2HB GLU 63 9.661 -14.147 3.646 496 1HG GLU 63 1HG GLU 63 11.887 -14.797 2.919 497 2HG GLU 63 2HG GLU 63 12.239 -13.126 2.477 498 H ASP 64 H ASP 64 7.184 -13.722 1.264 499 HA ASP 64 HA ASP 64 6.559 -16.269 2.257 500 1HB ASP 64 1HB ASP 64 5.075 -14.231 0.667 501 2HB ASP 64 2HB ASP 64 4.392 -15.848 0.817 502 H ASP 65 H ASP 65 7.110 -15.111 -0.964 503 HA ASP 65 HA ASP 65 7.559 -16.154 -2.939 504 1HB ASP 65 1HB ASP 65 9.306 -17.275 -1.530 505 2HB ASP 65 2HB ASP 65 8.165 -18.580 -1.232 506 H SER 66 H SER 66 4.900 -16.195 -1.716 507 HA SER 66 HA SER 66 3.736 -18.745 -2.410 508 1HB SER 66 1HB SER 66 2.468 -16.133 -1.573 509 2HB SER 66 2HB SER 66 1.617 -17.661 -1.751 510 HG SER 66 HG SER 66 2.813 -18.505 -0.066 511 H GLY 67 H GLY 67 4.848 -16.299 -4.240 512 1HA GLY 67 1HA GLY 67 4.619 -16.046 -6.543 513 2HA GLY 67 2HA GLY 67 3.193 -17.072 -6.491 514 H PHE 68 H PHE 68 1.163 -16.134 -5.934 515 HA PHE 68 HA PHE 68 0.732 -13.570 -7.014 516 1HB PHE 68 1HB PHE 68 -0.903 -15.599 -6.583 517 2HB PHE 68 2HB PHE 68 -1.206 -14.758 -5.068 518 HD1 PHE 68 HD1 PHE 68 -2.499 -15.256 -8.154 519 HD2 PHE 68 HD2 PHE 68 -1.462 -12.022 -5.580 520 HE1 PHE 68 HE1 PHE 68 -4.133 -13.823 -9.302 521 HE2 PHE 68 HE2 PHE 68 -3.097 -10.589 -6.727 522 HZ PHE 68 HZ PHE 68 -4.433 -11.486 -8.590 523 H VAL 69 H VAL 69 0.915 -14.733 -3.677 524 HA VAL 69 HA VAL 69 0.390 -12.203 -2.490 525 HB VAL 69 HB VAL 69 1.871 -14.443 -1.144 526 1HG1 VAL 69 1HG1 VAL 69 0.063 -12.241 -0.188 527 2HG1 VAL 69 2HG1 VAL 69 1.769 -12.488 0.186 528 3HG1 VAL 69 3HG1 VAL 69 0.556 -13.599 0.822 529 1HG2 VAL 69 1HG2 VAL 69 -0.333 -15.355 -0.491 530 2HG2 VAL 69 2HG2 VAL 69 -0.029 -15.471 -2.224 531 3HG2 VAL 69 3HG2 VAL 69 -1.101 -14.218 -1.600 532 H ARG 70 H ARG 70 3.338 -13.972 -3.299 533 HA ARG 70 HA ARG 70 5.123 -12.161 -2.039 534 1HB ARG 70 1HB ARG 70 5.529 -14.589 -2.869 535 2HB ARG 70 2HB ARG 70 5.871 -13.833 -4.419 536 1HG ARG 70 1HG ARG 70 7.373 -12.354 -2.650 537 2HG ARG 70 2HG ARG 70 7.504 -14.000 -2.026 538 1HD ARG 70 1HD ARG 70 8.336 -12.904 -4.673 539 2HD ARG 70 2HD ARG 70 9.265 -13.863 -3.528 540 HE ARG 70 HE ARG 70 7.265 -15.530 -4.317 541 1HH1 ARG 70 1HH1 ARG 70 9.685 -13.672 -5.999 542 2HH1 ARG 70 2HH1 ARG 70 9.808 -14.789 -7.316 543 1HH2 ARG 70 1HH2 ARG 70 7.421 -17.003 -6.044 544 2HH2 ARG 70 2HH2 ARG 70 8.521 -16.683 -7.343 545 H SER 71 H SER 71 4.529 -12.696 -5.516 546 HA SER 71 HA SER 71 5.859 -10.474 -6.487 547 1HB SER 71 1HB SER 71 5.065 -12.240 -7.963 548 2HB SER 71 2HB SER 71 3.391 -11.820 -7.602 549 HG SER 71 HG SER 71 4.251 -10.934 -9.601 550 H GLY 72 H GLY 72 2.771 -10.694 -4.929 551 1HA GLY 72 1HA GLY 72 1.551 -8.345 -5.809 552 2HA GLY 72 2HA GLY 72 1.296 -9.079 -4.233 553 H ALA 73 H ALA 73 3.745 -8.839 -3.066 554 HA ALA 73 HA ALA 73 3.756 -6.139 -2.235 555 1HB ALA 73 1HB ALA 73 4.431 -7.953 -0.759 556 2HB ALA 73 2HB ALA 73 5.717 -6.756 -0.910 557 3HB ALA 73 3HB ALA 73 5.827 -8.284 -1.784 558 H ALA 74 H ALA 74 5.530 -7.886 -4.679 559 HA ALA 74 HA ALA 74 7.723 -6.167 -4.983 560 1HB ALA 74 1HB ALA 74 6.361 -7.769 -7.144 561 2HB ALA 74 2HB ALA 74 7.546 -8.410 -6.007 562 3HB ALA 74 3HB ALA 74 8.016 -7.162 -7.161 563 H ARG 75 H ARG 75 4.512 -6.134 -6.486 564 HA ARG 75 HA ARG 75 5.109 -3.731 -7.970 565 1HB ARG 75 1HB ARG 75 2.688 -3.875 -8.628 566 2HB ARG 75 2HB ARG 75 3.657 -5.277 -9.055 567 1HG ARG 75 1HG ARG 75 2.719 -6.572 -7.312 568 2HG ARG 75 2HG ARG 75 1.967 -5.156 -6.575 569 1HD ARG 75 1HD ARG 75 0.496 -6.744 -7.970 570 2HD ARG 75 2HD ARG 75 0.338 -5.005 -8.226 571 HE ARG 75 HE ARG 75 2.074 -6.593 -9.984 572 1HH1 ARG 75 1HH1 ARG 75 -0.735 -4.586 -9.509 573 2HH1 ARG 75 2HH1 ARG 75 -1.005 -4.339 -11.202 574 1HH2 ARG 75 1HH2 ARG 75 1.727 -6.271 -12.217 575 2HH2 ARG 75 2HH2 ARG 75 0.394 -5.296 -12.740 576 H SER 76 H SER 76 3.317 -4.630 -5.076 577 HA SER 76 HA SER 76 1.911 -2.301 -4.590 578 1HB SER 76 1HB SER 76 3.211 -4.198 -2.628 579 2HB SER 76 2HB SER 76 2.074 -2.931 -2.166 580 HG SER 76 HG SER 76 0.470 -3.965 -3.247 581 H LEU 77 H LEU 77 5.286 -3.055 -3.809 582 HA LEU 77 HA LEU 77 5.922 -0.799 -2.319 583 1HB LEU 77 1HB LEU 77 7.613 -2.327 -4.297 584 2HB LEU 77 2HB LEU 77 8.246 -1.114 -3.203 585 HG LEU 77 HG LEU 77 6.834 -3.598 -2.249 586 1HD1 LEU 77 1HD1 LEU 77 9.799 -3.142 -2.463 587 2HD1 LEU 77 2HD1 LEU 77 8.859 -4.113 -3.595 588 3HD1 LEU 77 3HD1 LEU 77 8.978 -4.599 -1.904 589 1HD2 LEU 77 1HD2 LEU 77 8.706 -1.696 -0.848 590 2HD2 LEU 77 2HD2 LEU 77 7.877 -3.079 -0.135 591 3HD2 LEU 77 3HD2 LEU 77 6.950 -1.685 -0.690 592 H GLU 78 H GLU 78 6.496 -1.254 -5.808 593 HA GLU 78 HA GLU 78 7.209 1.318 -6.467 594 1HB GLU 78 1HB GLU 78 5.539 -0.555 -8.154 595 2HB GLU 78 2HB GLU 78 6.472 0.813 -8.746 596 1HG GLU 78 1HG GLU 78 8.521 -0.313 -7.874 597 2HG GLU 78 2HG GLU 78 7.523 -1.721 -7.519 598 H GLN 79 H GLN 79 4.002 0.024 -5.868 599 HA GLN 79 HA GLN 79 2.534 2.204 -6.931 600 1HB GLN 79 1HB GLN 79 1.756 0.262 -4.744 601 2HB GLN 79 2HB GLN 79 0.654 1.360 -5.559 602 1HG GLN 79 1HG GLN 79 1.557 0.130 -7.705 603 2HG GLN 79 2HG GLN 79 1.914 -1.140 -6.538 604 1HE2 GLN 79 1HE2 GLN 79 0.202 -2.148 -5.434 605 2HE2 GLN 79 2HE2 GLN 79 -1.424 -2.048 -6.006 606 H ILE 80 H ILE 80 4.110 1.613 -3.884 607 HA ILE 80 HA ILE 80 2.868 3.777 -2.489 608 HB ILE 80 HB ILE 80 5.359 2.188 -1.848 609 1HG1 ILE 80 1HG1 ILE 80 2.563 2.036 -0.692 610 2HG1 ILE 80 2HG1 ILE 80 3.212 0.923 -1.891 611 1HG2 ILE 80 1HG2 ILE 80 5.104 3.108 0.432 612 2HG2 ILE 80 2HG2 ILE 80 3.823 4.166 -0.161 613 3HG2 ILE 80 3HG2 ILE 80 5.470 4.351 -0.765 614 1HD1 ILE 80 1HD1 ILE 80 3.315 -0.070 0.295 615 2HD1 ILE 80 2HD1 ILE 80 4.211 1.314 0.919 616 3HD1 ILE 80 3HD1 ILE 80 4.950 0.254 -0.281 617 H GLY 81 H GLY 81 6.259 3.297 -3.526 618 1HA GLY 81 1HA GLY 81 7.881 4.800 -4.142 619 2HA GLY 81 2HA GLY 81 6.568 5.763 -4.796 620 H GLY 82 H GLY 82 9.031 5.650 -2.519 621 1HA GLY 82 1HA GLY 82 9.073 8.161 -1.651 622 2HA GLY 82 2HA GLY 82 7.766 7.520 -0.668 623 H GLU 83 H GLU 83 9.260 8.215 1.078 624 HA GLU 83 HA GLU 83 11.693 6.787 1.510 625 1HB GLU 83 1HB GLU 83 9.975 8.440 3.365 626 2HB GLU 83 2HB GLU 83 11.524 7.748 3.828 627 1HG GLU 83 1HG GLU 83 11.822 10.050 3.239 628 2HG GLU 83 2HG GLU 83 12.605 9.033 2.031 629 H ARG 84 H ARG 84 8.380 6.457 2.671 630 HA ARG 84 HA ARG 84 8.758 4.491 4.583 631 1HB ARG 84 1HB ARG 84 6.402 3.884 4.234 632 2HB ARG 84 2HB ARG 84 6.615 5.625 4.294 633 1HG ARG 84 1HG ARG 84 6.406 4.087 1.718 634 2HG ARG 84 2HG ARG 84 5.010 4.763 2.554 635 1HD ARG 84 1HD ARG 84 6.374 6.977 2.476 636 2HD ARG 84 2HD ARG 84 7.280 6.169 1.197 637 HE ARG 84 HE ARG 84 4.636 5.866 0.521 638 1HH1 ARG 84 1HH1 ARG 84 6.776 8.549 1.129 639 2HH1 ARG 84 2HH1 ARG 84 5.940 9.623 0.059 640 1HH2 ARG 84 1HH2 ARG 84 3.530 7.276 -0.889 641 2HH2 ARG 84 2HH2 ARG 84 4.096 8.901 -1.087 642 H VAL 85 H VAL 85 8.060 4.087 1.134 643 HA VAL 85 HA VAL 85 8.290 1.252 1.162 644 HB VAL 85 HB VAL 85 7.073 2.652 -0.551 645 1HG1 VAL 85 1HG1 VAL 85 8.806 4.299 -0.965 646 2HG1 VAL 85 2HG1 VAL 85 8.344 3.482 -2.457 647 3HG1 VAL 85 3HG1 VAL 85 9.847 3.048 -1.643 648 1HG2 VAL 85 1HG2 VAL 85 7.316 0.332 -0.965 649 2HG2 VAL 85 2HG2 VAL 85 9.011 0.522 -1.409 650 3HG2 VAL 85 3HG2 VAL 85 7.747 1.159 -2.462 651 H ARG 86 H ARG 86 10.507 3.873 0.854 652 HA ARG 86 HA ARG 86 12.623 2.662 -0.513 653 1HB ARG 86 1HB ARG 86 12.623 5.022 -0.200 654 2HB ARG 86 2HB ARG 86 12.565 4.859 1.547 655 1HG ARG 86 1HG ARG 86 14.776 4.686 1.719 656 2HG ARG 86 2HG ARG 86 14.891 3.571 0.359 657 1HD ARG 86 1HD ARG 86 16.084 5.689 -0.044 658 2HD ARG 86 2HD ARG 86 14.786 5.412 -1.203 659 HE ARG 86 HE ARG 86 13.873 6.964 0.987 660 1HH1 ARG 86 1HH1 ARG 86 15.783 7.156 -1.920 661 2HH1 ARG 86 2HH1 ARG 86 15.478 8.843 -2.163 662 1HH2 ARG 86 1HH2 ARG 86 13.464 9.184 0.675 663 2HH2 ARG 86 2HH2 ARG 86 14.159 9.996 -0.688 664 H ALA 87 H ALA 87 11.637 2.383 2.824 665 HA ALA 87 HA ALA 87 14.112 1.098 3.612 666 1HB ALA 87 1HB ALA 87 11.599 1.302 5.249 667 2HB ALA 87 2HB ALA 87 12.761 2.621 5.105 668 3HB ALA 87 3HB ALA 87 13.257 1.082 5.812 669 H ALA 88 H ALA 88 11.009 0.158 2.432 670 HA ALA 88 HA ALA 88 10.962 -2.477 3.514 671 1HB ALA 88 1HB ALA 88 9.169 -2.864 1.847 672 2HB ALA 88 2HB ALA 88 9.476 -1.253 1.197 673 3HB ALA 88 3HB ALA 88 8.901 -1.442 2.854 674 H MET 89 H MET 89 12.134 -1.050 0.511 675 HA MET 89 HA MET 89 12.647 -3.537 -0.777 676 1HB MET 89 1HB MET 89 13.648 -2.235 -2.493 677 2HB MET 89 2HB MET 89 12.283 -1.304 -1.902 678 1HG MET 89 1HG MET 89 14.096 -0.221 -0.357 679 2HG MET 89 2HG MET 89 15.188 -0.815 -1.601 680 1HE MET 89 1HE MET 89 14.727 2.379 -0.782 681 2HE MET 89 2HE MET 89 14.996 2.983 -2.414 682 3HE MET 89 3HE MET 89 15.974 1.656 -1.792 683 H GLU 90 H GLU 90 14.520 -1.315 1.212 684 HA GLU 90 HA GLU 90 17.036 -2.559 0.800 685 1HB GLU 90 1HB GLU 90 16.041 -0.835 3.075 686 2HB GLU 90 2HB GLU 90 17.717 -1.316 2.851 687 1HG GLU 90 1HG GLU 90 16.108 0.305 0.892 688 2HG GLU 90 2HG GLU 90 17.254 0.963 2.058 689 H LYS 91 H LYS 91 14.562 -2.868 3.328 690 HA LYS 91 HA LYS 91 15.934 -4.709 4.939 691 1HB LYS 91 1HB LYS 91 12.986 -4.204 4.541 692 2HB LYS 91 2HB LYS 91 13.599 -5.359 5.716 693 1HG LYS 91 1HG LYS 91 14.271 -2.424 5.678 694 2HG LYS 91 2HG LYS 91 13.044 -3.173 6.702 695 1HD LYS 91 1HD LYS 91 14.780 -4.575 7.732 696 2HD LYS 91 2HD LYS 91 15.999 -3.791 6.725 697 1HE LYS 91 1HE LYS 91 15.912 -2.859 9.005 698 2HE LYS 91 2HE LYS 91 15.545 -1.659 7.767 699 1HZ LYS 91 1HZ LYS 91 14.031 -1.518 9.657 700 2HZ LYS 91 2HZ LYS 91 13.527 -3.110 9.392 701 3HZ LYS 91 3HZ LYS 91 13.202 -1.918 8.238 702 H LEU 92 H LEU 92 14.282 -5.096 1.920 703 HA LEU 92 HA LEU 92 14.110 -7.974 2.192 704 1HB LEU 92 1HB LEU 92 12.356 -7.446 0.885 705 2HB LEU 92 2HB LEU 92 13.064 -5.922 0.385 706 HG LEU 92 HG LEU 92 14.520 -7.274 -1.202 707 1HD1 LEU 92 1HD1 LEU 92 14.294 -9.466 -0.274 708 2HD1 LEU 92 2HD1 LEU 92 13.533 -9.471 -1.865 709 3HD1 LEU 92 3HD1 LEU 92 12.537 -9.402 -0.410 710 1HD2 LEU 92 1HD2 LEU 92 12.432 -5.950 -1.764 711 2HD2 LEU 92 2HD2 LEU 92 11.574 -7.490 -1.758 712 3HD2 LEU 92 3HD2 LEU 92 12.887 -7.218 -2.901 713 H ALA 93 H ALA 93 16.103 -5.536 0.667 714 HA ALA 93 HA ALA 93 17.574 -7.219 -1.042 715 1HB ALA 93 1HB ALA 93 18.501 -4.661 0.256 716 2HB ALA 93 2HB ALA 93 17.531 -4.755 -1.214 717 3HB ALA 93 3HB ALA 93 19.168 -5.411 -1.193 718 H GLU 94 H GLU 94 17.546 -6.954 2.338 719 HA GLU 94 HA GLU 94 20.268 -7.857 2.737 720 1HB GLU 94 1HB GLU 94 18.905 -6.337 4.309 721 2HB GLU 94 2HB GLU 94 18.096 -7.810 4.823 722 1HG GLU 94 1HG GLU 94 21.075 -7.438 4.932 723 2HG GLU 94 2HG GLU 94 19.995 -7.045 6.268 724 H THR 95 H THR 95 17.061 -9.175 2.520 725 HA THR 95 HA THR 95 18.149 -11.885 2.959 726 HB THR 95 HB THR 95 15.761 -12.528 3.527 727 HG1 THR 95 HG1 THR 95 14.425 -10.768 4.215 728 1HG2 THR 95 1HG2 THR 95 17.081 -10.549 5.390 729 2HG2 THR 95 2HG2 THR 95 17.508 -12.254 5.245 730 3HG2 THR 95 3HG2 THR 95 15.913 -11.793 5.841 731 H GLY 96 H GLY 96 17.857 -10.085 0.589 732 1HA GLY 96 1HA GLY 96 15.816 -10.732 -1.126 733 2HA GLY 96 2HA GLY 96 17.446 -10.337 -1.641 734 H THR 97 H THR 97 15.134 -12.450 -2.110 735 HA THR 97 HA THR 97 17.008 -14.548 -2.897 736 HB THR 97 HB THR 97 16.229 -15.375 -0.773 737 HG1 THR 97 HG1 THR 97 14.815 -17.193 -1.710 738 1HG2 THR 97 1HG2 THR 97 14.196 -13.985 -0.605 739 2HG2 THR 97 2HG2 THR 97 13.876 -15.683 -0.253 740 3HG2 THR 97 3HG2 THR 97 13.418 -15.005 -1.815 741 H GLY 98 H GLY 98 16.588 -15.287 -4.892 742 1HA GLY 98 1HA GLY 98 15.554 -15.557 -6.923 743 2HA GLY 98 2HA GLY 98 14.068 -15.751 -6.004 744 H PHE 99 H PHE 99 12.878 -14.683 -7.611 745 HA PHE 99 HA PHE 99 13.393 -12.228 -8.768 746 1HB PHE 99 1HB PHE 99 11.594 -13.502 -9.630 747 2HB PHE 99 2HB PHE 99 10.809 -13.609 -8.060 748 HD1 PHE 99 HD1 PHE 99 11.616 -11.306 -10.840 749 HD2 PHE 99 HD2 PHE 99 9.262 -11.986 -7.360 750 HE1 PHE 99 HE1 PHE 99 10.223 -9.358 -11.404 751 HE2 PHE 99 HE2 PHE 99 7.866 -10.040 -7.918 752 HZ PHE 99 HZ PHE 99 8.345 -8.723 -9.941 753 H ALA 100 H ALA 100 12.121 -12.939 -5.582 754 HA ALA 100 HA ALA 100 11.006 -10.518 -4.859 755 1HB ALA 100 1HB ALA 100 11.553 -11.134 -2.537 756 2HB ALA 100 2HB ALA 100 12.590 -12.423 -3.145 757 3HB ALA 100 3HB ALA 100 10.854 -12.470 -3.448 758 H ARG 101 H ARG 101 14.419 -11.451 -4.842 759 HA ARG 101 HA ARG 101 15.334 -9.065 -3.579 760 1HB ARG 101 1HB ARG 101 16.638 -11.134 -3.555 761 2HB ARG 101 2HB ARG 101 16.803 -11.042 -5.302 762 1HG ARG 101 1HG ARG 101 18.164 -9.101 -5.162 763 2HG ARG 101 2HG ARG 101 17.827 -8.919 -3.440 764 1HD ARG 101 1HD ARG 101 20.056 -9.867 -3.869 765 2HD ARG 101 2HD ARG 101 19.017 -10.958 -2.952 766 HE ARG 101 HE ARG 101 18.598 -11.899 -5.366 767 1HH1 ARG 101 1HH1 ARG 101 21.605 -10.826 -3.968 768 2HH1 ARG 101 2HH1 ARG 101 22.578 -11.895 -4.921 769 1HH2 ARG 101 1HH2 ARG 101 19.871 -13.309 -6.625 770 2HH2 ARG 101 2HH2 ARG 101 21.593 -13.306 -6.432 771 H LYS 102 H LYS 102 15.470 -10.194 -6.954 772 HA LYS 102 HA LYS 102 16.701 -8.092 -8.179 773 1HB LYS 102 1HB LYS 102 15.877 -10.182 -9.282 774 2HB LYS 102 2HB LYS 102 14.256 -9.501 -9.266 775 1HG LYS 102 1HG LYS 102 15.042 -9.081 -11.415 776 2HG LYS 102 2HG LYS 102 15.257 -7.547 -10.566 777 1HD LYS 102 1HD LYS 102 17.589 -7.924 -10.303 778 2HD LYS 102 2HD LYS 102 17.443 -9.600 -10.836 779 1HE LYS 102 1HE LYS 102 16.806 -8.843 -13.065 780 2HE LYS 102 2HE LYS 102 16.922 -7.165 -12.537 781 1HZ LYS 102 1HZ LYS 102 19.270 -7.463 -12.147 782 2HZ LYS 102 2HZ LYS 102 18.904 -7.906 -13.738 783 3HZ LYS 102 3HZ LYS 102 19.177 -9.098 -12.569 784 H VAL 103 H VAL 103 13.566 -8.190 -6.773 785 HA VAL 103 HA VAL 103 12.400 -5.941 -8.014 786 HB VAL 103 HB VAL 103 11.893 -7.335 -5.392 787 1HG1 VAL 103 1HG1 VAL 103 9.752 -6.062 -5.312 788 2HG1 VAL 103 2HG1 VAL 103 10.346 -5.052 -6.630 789 3HG1 VAL 103 3HG1 VAL 103 11.177 -5.052 -5.075 790 1HG2 VAL 103 1HG2 VAL 103 9.933 -8.209 -6.518 791 2HG2 VAL 103 2HG2 VAL 103 11.380 -8.564 -7.461 792 3HG2 VAL 103 3HG2 VAL 103 10.304 -7.259 -7.956 793 H ALA 104 H ALA 104 13.822 -6.289 -4.764 794 HA ALA 104 HA ALA 104 13.681 -3.647 -3.948 795 1HB ALA 104 1HB ALA 104 15.644 -4.265 -2.467 796 2HB ALA 104 2HB ALA 104 15.588 -5.850 -3.239 797 3HB ALA 104 3HB ALA 104 14.196 -5.258 -2.334 798 H VAL 105 H VAL 105 16.613 -5.243 -5.181 799 HA VAL 105 HA VAL 105 18.261 -3.022 -5.240 800 HB VAL 105 HB VAL 105 19.113 -5.275 -5.459 801 1HG1 VAL 105 1HG1 VAL 105 17.834 -5.268 -8.180 802 2HG1 VAL 105 2HG1 VAL 105 17.404 -6.288 -6.809 803 3HG1 VAL 105 3HG1 VAL 105 18.967 -6.487 -7.601 804 1HG2 VAL 105 1HG2 VAL 105 19.809 -3.626 -7.884 805 2HG2 VAL 105 2HG2 VAL 105 20.800 -4.893 -7.162 806 3HG2 VAL 105 3HG2 VAL 105 20.482 -3.406 -6.269 807 H ASN 106 H ASN 106 16.267 -4.291 -7.897 808 HA ASN 106 HA ASN 106 17.122 -2.312 -9.754 809 1HB ASN 106 1HB ASN 106 14.840 -4.269 -9.715 810 2HB ASN 106 2HB ASN 106 15.003 -3.083 -11.004 811 1HD2 ASN 106 1HD2 ASN 106 17.809 -4.423 -9.469 812 2HD2 ASN 106 2HD2 ASN 106 18.307 -5.417 -10.791 813 H TYR 107 H TYR 107 14.457 -2.459 -7.441 814 HA TYR 107 HA TYR 107 12.927 -0.381 -8.572 815 1HB TYR 107 1HB TYR 107 11.897 -1.947 -7.107 816 2HB TYR 107 2HB TYR 107 13.061 -1.615 -5.833 817 HD1 TYR 107 HD1 TYR 107 12.309 -0.461 -4.118 818 HD2 TYR 107 HD2 TYR 107 10.659 0.370 -7.921 819 HE1 TYR 107 HE1 TYR 107 10.831 1.227 -3.086 820 HE2 TYR 107 HE2 TYR 107 9.173 2.058 -6.932 821 HH TYR 107 HH TYR 107 9.588 3.270 -3.818 822 H LEU 108 H LEU 108 15.718 -0.463 -6.529 823 HA LEU 108 HA LEU 108 15.668 1.936 -5.201 824 1HB LEU 108 1HB LEU 108 18.109 0.891 -6.625 825 2HB LEU 108 2HB LEU 108 18.060 1.882 -5.184 826 HG LEU 108 HG LEU 108 17.153 -0.989 -5.362 827 1HD1 LEU 108 1HD1 LEU 108 19.119 -1.390 -3.901 828 2HD1 LEU 108 2HD1 LEU 108 19.619 0.278 -4.184 829 3HD1 LEU 108 3HD1 LEU 108 19.540 -0.860 -5.530 830 1HD2 LEU 108 1HD2 LEU 108 16.945 -0.867 -2.943 831 2HD2 LEU 108 2HD2 LEU 108 15.887 0.312 -3.718 832 3HD2 LEU 108 3HD2 LEU 108 17.398 0.837 -2.976 833 H GLU 109 H GLU 109 16.031 1.388 -8.604 834 HA GLU 109 HA GLU 109 17.260 3.758 -9.407 835 1HB GLU 109 1HB GLU 109 15.221 2.062 -10.850 836 2HB GLU 109 2HB GLU 109 16.165 3.336 -11.605 837 1HG GLU 109 1HG GLU 109 18.221 2.134 -11.078 838 2HG GLU 109 2HG GLU 109 17.277 0.855 -10.316 839 H THR 110 H THR 110 14.333 3.490 -7.825 840 HA THR 110 HA THR 110 13.356 6.004 -9.011 841 HB THR 110 HB THR 110 11.125 5.378 -8.010 842 HG1 THR 110 HG1 THR 110 11.492 2.735 -8.010 843 1HG2 THR 110 1HG2 THR 110 11.609 5.128 -10.402 844 2HG2 THR 110 2HG2 THR 110 10.542 3.849 -9.823 845 3HG2 THR 110 3HG2 THR 110 12.250 3.512 -10.102 846 H HIS 111 H HIS 111 12.709 4.363 -5.910 847 HA HIS 111 HA HIS 111 13.675 6.775 -4.526 848 1HB HIS 111 1HB HIS 111 11.249 5.264 -3.570 849 2HB HIS 111 2HB HIS 111 11.791 6.875 -3.111 850 HD1 HIS 111 HD1 HIS 111 9.641 5.093 -5.487 851 HD2 HIS 111 HD2 HIS 111 11.332 8.873 -5.157 852 HE1 HIS 111 HE1 HIS 111 8.392 6.531 -7.126 853 HE2 HIS 111 HE2 HIS 111 9.516 8.782 -6.996 Start of MODEL 23 1 H MET 1 H MET 1 -7.885 9.374 3.555 2 HA MET 1 HA MET 1 -7.003 8.683 6.296 3 1HB MET 1 1HB MET 1 -5.250 9.811 4.974 4 2HB MET 1 2HB MET 1 -6.374 11.110 4.601 5 1HG MET 1 1HG MET 1 -4.862 11.780 6.357 6 2HG MET 1 2HG MET 1 -6.510 11.672 6.977 7 1HE MET 1 1HE MET 1 -4.260 10.614 10.031 8 2HE MET 1 2HE MET 1 -5.397 11.806 9.403 9 3HE MET 1 3HE MET 1 -3.752 11.736 8.770 10 H ALA 2 H ALA 2 -8.367 11.435 4.483 11 HA ALA 2 HA ALA 2 -10.359 11.733 6.634 12 1HB ALA 2 1HB ALA 2 -10.482 14.106 5.979 13 2HB ALA 2 2HB ALA 2 -9.221 13.822 4.781 14 3HB ALA 2 3HB ALA 2 -8.865 13.633 6.497 15 H ASP 3 H ASP 3 -12.506 11.935 6.136 16 HA ASP 3 HA ASP 3 -14.444 11.713 4.967 17 1HB ASP 3 1HB ASP 3 -13.465 13.745 3.796 18 2HB ASP 3 2HB ASP 3 -12.907 12.646 2.539 19 H GLU 4 H GLU 4 -15.342 10.692 2.800 20 HA GLU 4 HA GLU 4 -15.632 8.834 1.527 21 1HB GLU 4 1HB GLU 4 -13.325 9.569 0.699 22 2HB GLU 4 2HB GLU 4 -12.670 8.322 1.750 23 1HG GLU 4 1HG GLU 4 -12.832 7.480 -0.487 24 2HG GLU 4 2HG GLU 4 -13.996 6.639 0.537 25 H ASN 5 H ASN 5 -15.221 8.802 4.608 26 HA ASN 5 HA ASN 5 -15.188 5.864 4.818 27 1HB ASN 5 1HB ASN 5 -13.133 7.057 5.777 28 2HB ASN 5 2HB ASN 5 -14.214 7.685 7.016 29 1HD2 ASN 5 1HD2 ASN 5 -14.495 4.513 5.564 30 2HD2 ASN 5 2HD2 ASN 5 -14.080 3.620 6.983 31 H LYS 6 H LYS 6 -17.423 7.767 4.500 32 HA LYS 6 HA LYS 6 -18.767 8.234 6.909 33 1HB LYS 6 1HB LYS 6 -19.441 9.204 4.728 34 2HB LYS 6 2HB LYS 6 -19.989 7.615 4.210 35 1HG LYS 6 1HG LYS 6 -21.597 7.626 6.109 36 2HG LYS 6 2HG LYS 6 -21.119 9.291 6.439 37 1HD LYS 6 1HD LYS 6 -22.191 8.360 3.781 38 2HD LYS 6 2HD LYS 6 -23.206 9.023 5.062 39 1HE LYS 6 1HE LYS 6 -21.944 11.106 5.001 40 2HE LYS 6 2HE LYS 6 -20.890 10.444 3.752 41 1HZ LYS 6 1HZ LYS 6 -22.798 10.272 2.282 42 2HZ LYS 6 2HZ LYS 6 -22.599 11.867 2.809 43 3HZ LYS 6 3HZ LYS 6 -23.813 10.899 3.481 44 H TRP 7 H TRP 7 -18.903 5.479 4.694 45 HA TRP 7 HA TRP 7 -20.348 3.933 6.735 46 1HB TRP 7 1HB TRP 7 -19.916 3.199 3.831 47 2HB TRP 7 2HB TRP 7 -21.031 2.446 4.968 48 HD1 TRP 7 HD1 TRP 7 -20.707 5.381 2.599 49 HE1 TRP 7 HE1 TRP 7 -22.966 6.605 2.451 50 HE3 TRP 7 HE3 TRP 7 -23.161 3.016 6.409 51 HZ2 TRP 7 HZ2 TRP 7 -25.458 6.572 3.777 52 HZ3 TRP 7 HZ3 TRP 7 -25.479 3.671 6.905 53 HH2 TRP 7 HH2 TRP 7 -26.602 5.414 5.616 54 H VAL 8 H VAL 8 -18.594 3.399 8.049 55 HA VAL 8 HA VAL 8 -16.245 2.182 6.880 56 HB VAL 8 HB VAL 8 -15.223 2.337 8.954 57 1HG1 VAL 8 1HG1 VAL 8 -15.688 4.548 9.802 58 2HG1 VAL 8 2HG1 VAL 8 -17.278 4.538 9.039 59 3HG1 VAL 8 3HG1 VAL 8 -15.825 4.543 8.044 60 1HG2 VAL 8 1HG2 VAL 8 -16.471 2.612 11.091 61 2HG2 VAL 8 2HG2 VAL 8 -16.759 1.066 10.294 62 3HG2 VAL 8 3HG2 VAL 8 -17.969 2.346 10.200 63 H ARG 9 H ARG 9 -19.173 1.139 8.463 64 HA ARG 9 HA ARG 9 -18.176 -1.634 8.393 65 1HB ARG 9 1HB ARG 9 -18.743 -0.828 10.663 66 2HB ARG 9 2HB ARG 9 -20.380 -0.486 10.120 67 1HG ARG 9 1HG ARG 9 -20.399 -2.548 11.312 68 2HG ARG 9 2HG ARG 9 -20.648 -2.903 9.601 69 1HD ARG 9 1HD ARG 9 -19.093 -4.489 10.603 70 2HD ARG 9 2HD ARG 9 -18.290 -3.504 9.380 71 HE ARG 9 HE ARG 9 -17.952 -2.320 11.912 72 1HH1 ARG 9 1HH1 ARG 9 -16.906 -5.085 10.065 73 2HH1 ARG 9 2HH1 ARG 9 -15.385 -5.218 10.882 74 1HH2 ARG 9 1HH2 ARG 9 -15.950 -2.487 12.992 75 2HH2 ARG 9 2HH2 ARG 9 -14.842 -3.741 12.545 76 H ARG 10 H ARG 10 -21.219 0.218 8.083 77 HA ARG 10 HA ARG 10 -22.776 -1.710 6.909 78 1HB ARG 10 1HB ARG 10 -22.660 1.259 6.669 79 2HB ARG 10 2HB ARG 10 -23.646 0.388 5.502 80 1HG ARG 10 1HG ARG 10 -25.028 1.096 7.324 81 2HG ARG 10 2HG ARG 10 -24.867 -0.660 7.378 82 1HD ARG 10 1HD ARG 10 -24.657 0.184 9.608 83 2HD ARG 10 2HD ARG 10 -23.075 -0.384 9.079 84 HE ARG 10 HE ARG 10 -23.248 2.343 8.509 85 1HH1 ARG 10 1HH1 ARG 10 -23.163 0.226 11.275 86 2HH1 ARG 10 2HH1 ARG 10 -22.425 1.399 12.312 87 1HH2 ARG 10 1HH2 ARG 10 -22.277 3.896 9.870 88 2HH2 ARG 10 2HH2 ARG 10 -21.922 3.485 11.514 89 H ASP 11 H ASP 11 -22.300 -3.021 5.294 90 HA ASP 11 HA ASP 11 -21.765 -3.753 3.196 91 1HB ASP 11 1HB ASP 11 -22.683 -1.563 2.388 92 2HB ASP 11 2HB ASP 11 -21.061 -0.892 2.536 93 H VAL 12 H VAL 12 -20.040 -4.930 4.017 94 HA VAL 12 HA VAL 12 -17.467 -4.238 3.057 95 HB VAL 12 HB VAL 12 -17.757 -2.800 5.181 96 1HG1 VAL 12 1HG1 VAL 12 -17.216 -5.461 6.487 97 2HG1 VAL 12 2HG1 VAL 12 -18.715 -4.539 6.597 98 3HG1 VAL 12 3HG1 VAL 12 -17.228 -3.891 7.289 99 1HG2 VAL 12 1HG2 VAL 12 -15.436 -2.953 5.708 100 2HG2 VAL 12 2HG2 VAL 12 -15.618 -3.250 3.980 101 3HG2 VAL 12 3HG2 VAL 12 -15.345 -4.598 5.083 102 H SER 13 H SER 13 -15.783 -5.824 4.319 103 HA SER 13 HA SER 13 -15.134 -7.953 4.773 104 1HB SER 13 1HB SER 13 -16.836 -7.889 6.565 105 2HB SER 13 2HB SER 13 -18.051 -8.452 5.416 106 HG SER 13 HG SER 13 -16.345 -9.901 6.850 107 H THR 14 H THR 14 -16.636 -7.002 2.204 108 HA THR 14 HA THR 14 -16.072 -9.312 0.660 109 HB THR 14 HB THR 14 -18.186 -10.143 1.548 110 HG1 THR 14 HG1 THR 14 -17.793 -10.663 -0.610 111 1HG2 THR 14 1HG2 THR 14 -19.216 -7.983 2.103 112 2HG2 THR 14 2HG2 THR 14 -20.293 -8.985 1.130 113 3HG2 THR 14 3HG2 THR 14 -19.422 -7.644 0.383 114 H ALA 15 H ALA 15 -16.922 -6.117 1.123 115 HA ALA 15 HA ALA 15 -17.323 -5.489 -1.691 116 1HB ALA 15 1HB ALA 15 -17.802 -3.240 -0.940 117 2HB ALA 15 2HB ALA 15 -17.273 -3.643 0.694 118 3HB ALA 15 3HB ALA 15 -18.719 -4.398 0.025 119 H LEU 16 H LEU 16 -14.734 -6.105 0.173 120 HA LEU 16 HA LEU 16 -12.889 -4.120 0.037 121 1HB LEU 16 1HB LEU 16 -12.375 -7.023 -0.607 122 2HB LEU 16 2HB LEU 16 -11.157 -5.853 -0.139 123 HG LEU 16 HG LEU 16 -12.792 -5.646 1.986 124 1HD1 LEU 16 1HD1 LEU 16 -13.440 -7.977 2.619 125 2HD1 LEU 16 2HD1 LEU 16 -13.135 -8.451 0.948 126 3HD1 LEU 16 3HD1 LEU 16 -14.396 -7.275 1.316 127 1HD2 LEU 16 1HD2 LEU 16 -10.597 -7.652 1.504 128 2HD2 LEU 16 2HD2 LEU 16 -11.270 -7.293 3.095 129 3HD2 LEU 16 3HD2 LEU 16 -10.447 -6.029 2.181 130 H SER 17 H SER 17 -14.276 -5.747 -2.669 131 HA SER 17 HA SER 17 -12.367 -5.600 -4.630 132 1HB SER 17 1HB SER 17 -14.608 -6.542 -4.985 133 2HB SER 17 2HB SER 17 -15.298 -4.920 -4.929 134 HG SER 17 HG SER 17 -13.761 -6.142 -6.918 135 H ARG 18 H ARG 18 -14.182 -2.967 -3.220 136 HA ARG 18 HA ARG 18 -12.326 -1.015 -3.982 137 1HB ARG 18 1HB ARG 18 -13.350 -1.544 -6.232 138 2HB ARG 18 2HB ARG 18 -14.863 -0.895 -5.615 139 1HG ARG 18 1HG ARG 18 -13.847 0.820 -6.856 140 2HG ARG 18 2HG ARG 18 -13.635 1.241 -5.158 141 1HD ARG 18 1HD ARG 18 -11.352 0.397 -5.220 142 2HD ARG 18 2HD ARG 18 -11.563 -0.085 -6.902 143 HE ARG 18 HE ARG 18 -11.954 2.732 -6.268 144 1HH1 ARG 18 1HH1 ARG 18 -9.888 0.238 -7.563 145 2HH1 ARG 18 2HH1 ARG 18 -8.861 1.347 -8.408 146 1HH2 ARG 18 1HH2 ARG 18 -10.608 4.198 -7.381 147 2HH2 ARG 18 2HH2 ARG 18 -9.271 3.599 -8.305 148 H MET 19 H MET 19 -12.649 -0.426 -1.813 149 HA MET 19 HA MET 19 -15.130 1.079 -1.350 150 1HB MET 19 1HB MET 19 -13.815 -0.849 0.559 151 2HB MET 19 2HB MET 19 -15.029 0.322 1.046 152 1HG MET 19 1HG MET 19 -15.725 -1.441 -1.214 153 2HG MET 19 2HG MET 19 -15.600 -2.194 0.374 154 1HE MET 19 1HE MET 19 -18.611 1.090 -0.817 155 2HE MET 19 2HE MET 19 -17.516 0.264 -1.926 156 3HE MET 19 3HE MET 19 -16.879 1.415 -0.749 157 H GLY 20 H GLY 20 -11.781 0.526 -0.278 158 1HA GLY 20 1HA GLY 20 -10.381 2.582 -0.310 159 2HA GLY 20 2HA GLY 20 -11.715 3.372 0.511 160 H ASP 21 H ASP 21 -11.479 3.633 2.609 161 HA ASP 21 HA ASP 21 -9.401 2.154 4.003 162 1HB ASP 21 1HB ASP 21 -11.100 4.494 4.885 163 2HB ASP 21 2HB ASP 21 -9.786 3.788 5.822 164 H GLU 22 H GLU 22 -12.859 2.218 3.799 165 HA GLU 22 HA GLU 22 -13.417 1.106 6.345 166 1HB GLU 22 1HB GLU 22 -15.626 0.746 5.566 167 2HB GLU 22 2HB GLU 22 -15.079 2.226 4.792 168 1HG GLU 22 1HG GLU 22 -14.542 0.900 2.767 169 2HG GLU 22 2HG GLU 22 -15.256 -0.507 3.553 170 H ALA 23 H ALA 23 -12.229 -0.203 3.395 171 HA ALA 23 HA ALA 23 -12.681 -2.948 4.337 172 1HB ALA 23 1HB ALA 23 -11.829 -1.959 1.616 173 2HB ALA 23 2HB ALA 23 -13.447 -2.495 2.070 174 3HB ALA 23 3HB ALA 23 -12.109 -3.643 2.057 175 H PHE 24 H PHE 24 -10.492 -0.690 4.834 176 HA PHE 24 HA PHE 24 -8.001 -1.714 4.102 177 1HB PHE 24 1HB PHE 24 -8.695 0.560 5.175 178 2HB PHE 24 2HB PHE 24 -8.452 -0.283 6.700 179 HD1 PHE 24 HD1 PHE 24 -6.694 1.200 7.370 180 HD2 PHE 24 HD2 PHE 24 -6.386 -1.051 3.773 181 HE1 PHE 24 HE1 PHE 24 -4.296 1.705 7.260 182 HE2 PHE 24 HE2 PHE 24 -3.988 -0.555 3.661 183 HZ PHE 24 HZ PHE 24 -2.935 0.827 5.404 184 H GLU 25 H GLU 25 -9.764 -2.062 7.167 185 HA GLU 25 HA GLU 25 -7.958 -3.867 8.328 186 1HB GLU 25 1HB GLU 25 -10.736 -3.013 8.886 187 2HB GLU 25 2HB GLU 25 -10.198 -4.531 9.580 188 1HG GLU 25 1HG GLU 25 -8.740 -1.926 9.920 189 2HG GLU 25 2HG GLU 25 -9.928 -2.545 11.065 190 HA PRO 26 HA PRO 26 -11.177 -7.390 6.977 191 1HB PRO 26 1HB PRO 26 -12.029 -6.148 4.424 192 2HB PRO 26 2HB PRO 26 -12.962 -7.110 5.571 193 1HG PRO 26 1HG PRO 26 -13.222 -4.426 5.327 194 2HG PRO 26 2HG PRO 26 -13.516 -5.295 6.842 195 1HD PRO 26 1HD PRO 26 -11.286 -3.525 6.085 196 2HD PRO 26 2HD PRO 26 -11.888 -3.960 7.692 197 H LEU 27 H LEU 27 -9.228 -5.292 5.089 198 HA LEU 27 HA LEU 27 -8.392 -7.219 3.144 199 1HB LEU 27 1HB LEU 27 -8.248 -5.136 2.254 200 2HB LEU 27 2HB LEU 27 -7.966 -4.387 3.818 201 HG LEU 27 HG LEU 27 -5.611 -5.214 3.697 202 1HD1 LEU 27 1HD1 LEU 27 -4.724 -5.919 1.561 203 2HD1 LEU 27 2HD1 LEU 27 -6.320 -5.784 0.824 204 3HD1 LEU 27 3HD1 LEU 27 -6.018 -7.009 2.056 205 1HD2 LEU 27 1HD2 LEU 27 -6.704 -3.287 1.670 206 2HD2 LEU 27 2HD2 LEU 27 -4.974 -3.527 1.904 207 3HD2 LEU 27 3HD2 LEU 27 -5.970 -2.937 3.235 208 H LEU 28 H LEU 28 -7.074 -5.716 6.056 209 HA LEU 28 HA LEU 28 -4.601 -7.159 5.982 210 1HB LEU 28 1HB LEU 28 -4.515 -5.082 7.088 211 2HB LEU 28 2HB LEU 28 -5.971 -5.409 8.006 212 HG LEU 28 HG LEU 28 -4.743 -7.088 9.334 213 1HD1 LEU 28 1HD1 LEU 28 -2.367 -6.143 7.737 214 2HD1 LEU 28 2HD1 LEU 28 -3.066 -7.762 7.735 215 3HD1 LEU 28 3HD1 LEU 28 -2.281 -7.143 9.187 216 1HD2 LEU 28 1HD2 LEU 28 -3.466 -4.360 9.263 217 2HD2 LEU 28 2HD2 LEU 28 -3.378 -5.505 10.600 218 3HD2 LEU 28 3HD2 LEU 28 -4.929 -4.803 10.142 219 H GLU 29 H GLU 29 -7.783 -7.793 7.079 220 HA GLU 29 HA GLU 29 -7.097 -9.754 9.048 221 1HB GLU 29 1HB GLU 29 -9.710 -9.167 7.649 222 2HB GLU 29 2HB GLU 29 -9.524 -10.313 8.969 223 1HG GLU 29 1HG GLU 29 -9.110 -7.336 9.073 224 2HG GLU 29 2HG GLU 29 -10.394 -8.267 9.839 225 H SER 30 H SER 30 -8.094 -9.778 5.665 226 HA SER 30 HA SER 30 -8.343 -12.577 5.392 227 1HB SER 30 1HB SER 30 -8.226 -12.123 2.953 228 2HB SER 30 2HB SER 30 -9.365 -11.066 3.786 229 HG SER 30 HG SER 30 -8.206 -9.701 2.565 230 H LEU 31 H LEU 31 -5.597 -10.579 5.681 231 HA LEU 31 HA LEU 31 -3.752 -12.039 4.118 232 1HB LEU 31 1HB LEU 31 -3.406 -10.226 6.496 233 2HB LEU 31 2HB LEU 31 -2.046 -10.970 5.677 234 HG LEU 31 HG LEU 31 -4.036 -9.127 4.351 235 1HD1 LEU 31 1HD1 LEU 31 -2.782 -7.862 5.948 236 2HD1 LEU 31 2HD1 LEU 31 -2.138 -7.519 4.343 237 3HD1 LEU 31 3HD1 LEU 31 -1.271 -8.607 5.428 238 1HD2 LEU 31 1HD2 LEU 31 -1.536 -10.505 3.421 239 2HD2 LEU 31 2HD2 LEU 31 -2.143 -9.047 2.638 240 3HD2 LEU 31 3HD2 LEU 31 -3.137 -10.503 2.680 241 H SER 32 H SER 32 -5.413 -12.935 6.870 242 HA SER 32 HA SER 32 -3.313 -14.702 7.874 243 1HB SER 32 1HB SER 32 -4.672 -13.413 9.498 244 2HB SER 32 2HB SER 32 -6.119 -14.239 8.921 245 HG SER 32 HG SER 32 -4.040 -15.894 9.666 246 H ASN 33 H ASN 33 -5.213 -14.862 5.349 247 HA ASN 33 HA ASN 33 -6.496 -17.412 5.744 248 1HB ASN 33 1HB ASN 33 -7.759 -16.228 4.260 249 2HB ASN 33 2HB ASN 33 -6.373 -15.373 3.597 250 1HD2 ASN 33 1HD2 ASN 33 -5.447 -16.084 1.780 251 2HD2 ASN 33 2HD2 ASN 33 -5.957 -17.480 0.902 252 H GLU 34 H GLU 34 -5.705 -19.356 5.328 253 HA GLU 34 HA GLU 34 -2.991 -19.818 4.878 254 1HB GLU 34 1HB GLU 34 -3.678 -22.193 4.530 255 2HB GLU 34 2HB GLU 34 -4.312 -21.466 5.999 256 1HG GLU 34 1HG GLU 34 -6.467 -21.130 4.920 257 2HG GLU 34 2HG GLU 34 -5.835 -21.820 3.427 258 H ASP 35 H ASP 35 -5.598 -19.432 2.598 259 HA ASP 35 HA ASP 35 -4.217 -20.665 0.409 260 1HB ASP 35 1HB ASP 35 -6.680 -20.536 0.490 261 2HB ASP 35 2HB ASP 35 -6.587 -18.782 0.373 262 H TRP 36 H TRP 36 -3.664 -19.457 -1.595 263 HA TRP 36 HA TRP 36 -2.322 -16.938 -0.888 264 1HB TRP 36 1HB TRP 36 -0.901 -17.454 -2.930 265 2HB TRP 36 2HB TRP 36 -0.698 -18.530 -1.552 266 HD1 TRP 36 HD1 TRP 36 -2.451 -18.461 -5.000 267 HE1 TRP 36 HE1 TRP 36 -2.653 -20.889 -5.834 268 HE3 TRP 36 HE3 TRP 36 -0.647 -20.902 -0.881 269 HZ2 TRP 36 HZ2 TRP 36 -2.123 -23.484 -4.882 270 HZ3 TRP 36 HZ3 TRP 36 -0.531 -23.360 -0.927 271 HH2 TRP 36 HH2 TRP 36 -1.255 -24.619 -2.891 272 H ARG 37 H ARG 37 -4.498 -18.447 -3.177 273 HA ARG 37 HA ARG 37 -4.549 -16.472 -5.146 274 1HB ARG 37 1HB ARG 37 -5.565 -18.643 -5.498 275 2HB ARG 37 2HB ARG 37 -6.728 -18.345 -4.215 276 1HG ARG 37 1HG ARG 37 -7.706 -16.530 -5.515 277 2HG ARG 37 2HG ARG 37 -6.539 -16.827 -6.805 278 1HD ARG 37 1HD ARG 37 -8.722 -17.849 -7.277 279 2HD ARG 37 2HD ARG 37 -7.440 -19.051 -7.146 280 HE ARG 37 HE ARG 37 -8.435 -19.037 -4.661 281 1HH1 ARG 37 1HH1 ARG 37 -9.994 -19.205 -7.772 282 2HH1 ARG 37 2HH1 ARG 37 -11.331 -20.145 -7.196 283 1HH2 ARG 37 1HH2 ARG 37 -10.190 -20.276 -3.892 284 2HH2 ARG 37 2HH2 ARG 37 -11.442 -20.755 -4.990 285 H ILE 38 H ILE 38 -6.312 -16.752 -2.103 286 HA ILE 38 HA ILE 38 -7.894 -14.393 -2.596 287 HB ILE 38 HB ILE 38 -7.509 -15.973 -0.048 288 1HG1 ILE 38 1HG1 ILE 38 -9.802 -16.020 -2.023 289 2HG1 ILE 38 2HG1 ILE 38 -8.523 -17.228 -1.960 290 1HG2 ILE 38 1HG2 ILE 38 -9.577 -13.892 -0.753 291 2HG2 ILE 38 2HG2 ILE 38 -8.243 -13.684 0.382 292 3HG2 ILE 38 3HG2 ILE 38 -9.528 -14.839 0.734 293 1HD1 ILE 38 1HD1 ILE 38 -10.543 -17.999 -0.851 294 2HD1 ILE 38 2HD1 ILE 38 -10.476 -16.620 0.247 295 3HD1 ILE 38 3HD1 ILE 38 -9.209 -17.846 0.291 296 H ARG 39 H ARG 39 -5.136 -15.262 -0.544 297 HA ARG 39 HA ARG 39 -4.865 -12.745 0.706 298 1HB ARG 39 1HB ARG 39 -3.847 -14.821 1.573 299 2HB ARG 39 2HB ARG 39 -2.751 -14.849 0.199 300 1HG ARG 39 1HG ARG 39 -1.809 -12.696 0.944 301 2HG ARG 39 2HG ARG 39 -2.862 -12.753 2.358 302 1HD ARG 39 1HD ARG 39 -0.867 -14.902 1.670 303 2HD ARG 39 2HD ARG 39 -0.511 -13.546 2.740 304 HE ARG 39 HE ARG 39 -2.844 -14.862 3.617 305 1HH1 ARG 39 1HH1 ARG 39 0.605 -15.314 3.419 306 2HH1 ARG 39 2HH1 ARG 39 0.682 -16.338 4.814 307 1HH2 ARG 39 1HH2 ARG 39 -2.752 -16.204 5.462 308 2HH2 ARG 39 2HH2 ARG 39 -1.226 -16.843 5.976 309 H GLY 40 H GLY 40 -4.091 -13.852 -2.438 310 1HA GLY 40 1HA GLY 40 -1.912 -12.201 -3.092 311 2HA GLY 40 2HA GLY 40 -3.073 -12.858 -4.236 312 H ALA 41 H ALA 41 -5.277 -11.687 -4.148 313 HA ALA 41 HA ALA 41 -5.057 -9.141 -5.098 314 1HB ALA 41 1HB ALA 41 -7.427 -10.189 -3.558 315 2HB ALA 41 2HB ALA 41 -7.079 -10.561 -5.246 316 3HB ALA 41 3HB ALA 41 -7.432 -8.902 -4.764 317 H ALA 42 H ALA 42 -5.365 -10.150 -1.744 318 HA ALA 42 HA ALA 42 -5.900 -7.676 -0.565 319 1HB ALA 42 1HB ALA 42 -4.253 -9.928 0.586 320 2HB ALA 42 2HB ALA 42 -6.014 -9.829 0.627 321 3HB ALA 42 3HB ALA 42 -5.042 -8.637 1.492 322 H ALA 43 H ALA 43 -2.788 -9.259 -1.202 323 HA ALA 43 HA ALA 43 -1.170 -7.130 -0.249 324 1HB ALA 43 1HB ALA 43 -0.503 -9.326 -2.212 325 2HB ALA 43 2HB ALA 43 -0.366 -9.433 -0.457 326 3HB ALA 43 3HB ALA 43 0.657 -8.311 -1.354 327 H TRP 44 H TRP 44 -2.567 -7.947 -3.352 328 HA TRP 44 HA TRP 44 -1.080 -6.155 -4.950 329 1HB TRP 44 1HB TRP 44 -3.621 -7.696 -5.280 330 2HB TRP 44 2HB TRP 44 -3.207 -6.468 -6.467 331 HD1 TRP 44 HD1 TRP 44 -1.313 -9.438 -4.810 332 HE1 TRP 44 HE1 TRP 44 0.024 -10.639 -6.651 333 HE3 TRP 44 HE3 TRP 44 -2.579 -6.490 -8.795 334 HZ2 TRP 44 HZ2 TRP 44 0.479 -10.378 -9.423 335 HZ3 TRP 44 HZ3 TRP 44 -1.651 -7.038 -11.006 336 HH2 TRP 44 HH2 TRP 44 -0.153 -8.942 -11.312 337 H ILE 45 H ILE 45 -3.884 -5.724 -2.927 338 HA ILE 45 HA ILE 45 -4.394 -3.081 -4.086 339 HB ILE 45 HB ILE 45 -6.011 -4.606 -2.040 340 1HG1 ILE 45 1HG1 ILE 45 -6.664 -4.105 -4.947 341 2HG1 ILE 45 2HG1 ILE 45 -5.895 -5.583 -4.380 342 1HG2 ILE 45 1HG2 ILE 45 -6.304 -2.209 -1.822 343 2HG2 ILE 45 2HG2 ILE 45 -7.752 -2.933 -2.521 344 3HG2 ILE 45 3HG2 ILE 45 -6.614 -2.067 -3.553 345 1HD1 ILE 45 1HD1 ILE 45 -8.548 -4.602 -3.367 346 2HD1 ILE 45 2HD1 ILE 45 -7.806 -6.181 -3.108 347 3HD1 ILE 45 3HD1 ILE 45 -8.364 -5.722 -4.717 348 H ILE 46 H ILE 46 -3.198 -4.644 -1.211 349 HA ILE 46 HA ILE 46 -3.457 -2.526 0.605 350 HB ILE 46 HB ILE 46 -2.591 -5.074 0.830 351 1HG1 ILE 46 1HG1 ILE 46 -1.603 -3.214 2.926 352 2HG1 ILE 46 2HG1 ILE 46 -3.314 -3.122 2.510 353 1HG2 ILE 46 1HG2 ILE 46 -0.289 -5.193 1.417 354 2HG2 ILE 46 2HG2 ILE 46 -0.101 -3.445 1.274 355 3HG2 ILE 46 3HG2 ILE 46 -0.385 -4.422 -0.168 356 1HD1 ILE 46 1HD1 ILE 46 -2.878 -4.608 4.407 357 2HD1 ILE 46 2HD1 ILE 46 -1.876 -5.620 3.367 358 3HD1 ILE 46 3HD1 ILE 46 -3.601 -5.458 3.043 359 H GLY 47 H GLY 47 -1.155 -3.101 -1.951 360 1HA GLY 47 1HA GLY 47 0.836 -1.275 -1.060 361 2HA GLY 47 2HA GLY 47 0.651 -1.884 -2.699 362 H ASN 48 H ASN 48 -2.186 -0.871 -2.709 363 HA ASN 48 HA ASN 48 -1.674 1.618 -3.936 364 1HB ASN 48 1HB ASN 48 -4.336 0.631 -2.899 365 2HB ASN 48 2HB ASN 48 -4.066 1.819 -4.170 366 1HD2 ASN 48 1HD2 ASN 48 -1.834 0.268 -5.297 367 2HD2 ASN 48 2HD2 ASN 48 -2.563 -1.049 -6.147 368 H PHE 49 H PHE 49 -2.625 0.698 -0.689 369 HA PHE 49 HA PHE 49 -3.010 3.480 0.081 370 1HB PHE 49 1HB PHE 49 -3.212 0.993 1.795 371 2HB PHE 49 2HB PHE 49 -3.755 2.610 2.224 372 HD1 PHE 49 HD1 PHE 49 -5.173 3.470 -0.180 373 HD2 PHE 49 HD2 PHE 49 -5.104 -0.331 1.737 374 HE1 PHE 49 HE1 PHE 49 -7.396 2.965 -1.105 375 HE2 PHE 49 HE2 PHE 49 -7.322 -0.842 0.810 376 HZ PHE 49 HZ PHE 49 -8.472 0.805 -0.611 377 H GLN 50 H GLN 50 -1.196 4.587 0.416 378 HA GLN 50 HA GLN 50 1.249 3.351 1.268 379 1HB GLN 50 1HB GLN 50 0.559 6.284 1.060 380 2HB GLN 50 2HB GLN 50 2.177 5.600 1.183 381 1HG GLN 50 1HG GLN 50 2.062 5.929 -1.062 382 2HG GLN 50 2HG GLN 50 1.430 4.285 -0.953 383 1HE2 GLN 50 1HE2 GLN 50 -0.365 7.111 0.033 384 2HE2 GLN 50 2HE2 GLN 50 -1.550 7.035 -1.220 385 H ASP 51 H ASP 51 -0.990 3.094 3.066 386 HA ASP 51 HA ASP 51 -0.420 4.779 5.349 387 1HB ASP 51 1HB ASP 51 -2.734 4.086 4.769 388 2HB ASP 51 2HB ASP 51 -2.291 2.416 5.105 389 H GLU 52 H GLU 52 0.047 3.832 7.481 390 HA GLU 52 HA GLU 52 2.351 2.224 7.424 391 1HB GLU 52 1HB GLU 52 2.161 2.210 9.887 392 2HB GLU 52 2HB GLU 52 1.981 3.819 9.202 393 1HG GLU 52 1HG GLU 52 -0.452 3.632 9.428 394 2HG GLU 52 2HG GLU 52 -0.250 2.036 10.150 395 H ARG 53 H ARG 53 -1.010 1.442 8.175 396 HA ARG 53 HA ARG 53 -0.570 -1.196 9.073 397 1HB ARG 53 1HB ARG 53 -2.651 0.088 9.476 398 2HB ARG 53 2HB ARG 53 -3.035 -0.028 7.767 399 1HG ARG 53 1HG ARG 53 -3.324 -2.388 7.912 400 2HG ARG 53 2HG ARG 53 -2.711 -2.413 9.569 401 1HD ARG 53 1HD ARG 53 -5.243 -1.085 8.606 402 2HD ARG 53 2HD ARG 53 -5.136 -2.569 9.551 403 HE ARG 53 HE ARG 53 -3.831 -0.688 11.050 404 1HH1 ARG 53 1HH1 ARG 53 -7.020 -0.982 9.674 405 2HH1 ARG 53 2HH1 ARG 53 -7.784 -0.057 10.925 406 1HH2 ARG 53 1HH2 ARG 53 -4.830 0.530 12.697 407 2HH2 ARG 53 2HH2 ARG 53 -6.540 0.802 12.639 408 H ALA 54 H ALA 54 -0.239 0.147 6.006 409 HA ALA 54 HA ALA 54 -0.758 -2.421 4.668 410 1HB ALA 54 1HB ALA 54 -0.818 -1.144 2.582 411 2HB ALA 54 2HB ALA 54 -0.497 0.338 3.482 412 3HB ALA 54 3HB ALA 54 -2.001 -0.544 3.745 413 H VAL 55 H VAL 55 1.690 -1.089 6.167 414 HA VAL 55 HA VAL 55 3.707 -1.351 4.082 415 HB VAL 55 HB VAL 55 4.072 -0.640 6.994 416 1HG1 VAL 55 1HG1 VAL 55 6.093 -1.486 5.938 417 2HG1 VAL 55 2HG1 VAL 55 6.228 0.243 6.258 418 3HG1 VAL 55 3HG1 VAL 55 5.901 -0.329 4.622 419 1HG2 VAL 55 1HG2 VAL 55 2.654 0.996 5.919 420 2HG2 VAL 55 2HG2 VAL 55 3.785 1.135 4.574 421 3HG2 VAL 55 3HG2 VAL 55 4.257 1.683 6.183 422 H GLU 56 H GLU 56 2.785 -2.920 7.126 423 HA GLU 56 HA GLU 56 4.947 -4.653 7.378 424 1HB GLU 56 1HB GLU 56 3.233 -4.316 9.124 425 2HB GLU 56 2HB GLU 56 2.084 -5.227 8.152 426 1HG GLU 56 1HG GLU 56 2.843 -6.807 9.653 427 2HG GLU 56 2HG GLU 56 3.849 -7.105 8.231 428 HA PRO 57 HA PRO 57 2.056 -7.885 4.836 429 1HB PRO 57 1HB PRO 57 1.368 -5.738 2.868 430 2HB PRO 57 2HB PRO 57 0.467 -7.198 3.297 431 1HG PRO 57 1HG PRO 57 -0.260 -4.832 4.267 432 2HG PRO 57 2HG PRO 57 -0.326 -6.287 5.278 433 1HD PRO 57 1HD PRO 57 1.587 -4.017 5.347 434 2HD PRO 57 2HD PRO 57 1.033 -5.071 6.663 435 H LEU 58 H LEU 58 3.411 -5.104 3.078 436 HA LEU 58 HA LEU 58 4.653 -6.421 1.021 437 1HB LEU 58 1HB LEU 58 5.408 -3.908 2.493 438 2HB LEU 58 2HB LEU 58 6.261 -4.449 1.061 439 HG LEU 58 HG LEU 58 4.184 -4.282 -0.238 440 1HD1 LEU 58 1HD1 LEU 58 2.263 -3.053 0.784 441 2HD1 LEU 58 2HD1 LEU 58 3.013 -3.339 2.354 442 3HD1 LEU 58 3HD1 LEU 58 2.498 -4.702 1.363 443 1HD2 LEU 58 1HD2 LEU 58 4.602 -1.700 1.225 444 2HD2 LEU 58 2HD2 LEU 58 4.188 -1.948 -0.471 445 3HD2 LEU 58 3HD2 LEU 58 5.801 -2.352 0.113 446 H ILE 59 H ILE 59 5.898 -5.842 4.283 447 HA ILE 59 HA ILE 59 8.534 -6.655 3.858 448 HB ILE 59 HB ILE 59 6.871 -6.853 6.362 449 1HG1 ILE 59 1HG1 ILE 59 7.133 -4.575 5.401 450 2HG1 ILE 59 2HG1 ILE 59 7.902 -4.745 6.975 451 1HG2 ILE 59 1HG2 ILE 59 8.743 -8.334 6.586 452 2HG2 ILE 59 2HG2 ILE 59 9.064 -6.885 7.536 453 3HG2 ILE 59 3HG2 ILE 59 9.849 -7.105 5.973 454 1HD1 ILE 59 1HD1 ILE 59 9.205 -3.454 5.286 455 2HD1 ILE 59 2HD1 ILE 59 9.382 -4.948 4.365 456 3HD1 ILE 59 3HD1 ILE 59 10.064 -4.825 5.987 457 H LYS 60 H LYS 60 5.935 -8.587 5.352 458 HA LYS 60 HA LYS 60 7.424 -11.004 5.264 459 1HB LYS 60 1HB LYS 60 5.660 -10.564 6.918 460 2HB LYS 60 2HB LYS 60 4.456 -10.574 5.638 461 1HG LYS 60 1HG LYS 60 6.154 -12.978 5.854 462 2HG LYS 60 2HG LYS 60 5.008 -12.697 7.166 463 1HD LYS 60 1HD LYS 60 3.193 -12.516 5.513 464 2HD LYS 60 2HD LYS 60 4.350 -12.850 4.224 465 1HE LYS 60 1HE LYS 60 3.670 -14.694 6.511 466 2HE LYS 60 2HE LYS 60 3.096 -14.855 4.852 467 1HZ LYS 60 1HZ LYS 60 5.360 -15.176 4.117 468 2HZ LYS 60 2HZ LYS 60 4.987 -16.306 5.319 469 3HZ LYS 60 3HZ LYS 60 5.943 -14.961 5.691 470 H LEU 61 H LEU 61 5.444 -9.400 2.956 471 HA LEU 61 HA LEU 61 4.671 -11.720 1.467 472 1HB LEU 61 1HB LEU 61 4.403 -8.793 1.194 473 2HB LEU 61 2HB LEU 61 4.312 -9.730 -0.283 474 HG LEU 61 HG LEU 61 2.330 -10.727 0.298 475 1HD1 LEU 61 1HD1 LEU 61 2.995 -10.161 3.181 476 2HD1 LEU 61 2HD1 LEU 61 2.922 -11.732 2.384 477 3HD1 LEU 61 3HD1 LEU 61 1.446 -10.801 2.637 478 1HD2 LEU 61 1HD2 LEU 61 1.986 -8.338 0.016 479 2HD2 LEU 61 2HD2 LEU 61 2.239 -8.087 1.741 480 3HD2 LEU 61 3HD2 LEU 61 0.842 -9.004 1.181 481 H LEU 62 H LEU 62 7.162 -9.228 1.010 482 HA LEU 62 HA LEU 62 8.019 -10.094 -1.523 483 1HB LEU 62 1HB LEU 62 9.524 -8.635 0.648 484 2HB LEU 62 2HB LEU 62 10.073 -8.812 -1.008 485 HG LEU 62 HG LEU 62 7.445 -7.505 -0.362 486 1HD1 LEU 62 1HD1 LEU 62 10.104 -6.110 -0.664 487 2HD1 LEU 62 2HD1 LEU 62 9.271 -6.362 0.871 488 3HD1 LEU 62 3HD1 LEU 62 8.534 -5.360 -0.378 489 1HD2 LEU 62 1HD2 LEU 62 7.733 -8.160 -2.658 490 2HD2 LEU 62 2HD2 LEU 62 9.324 -7.405 -2.718 491 3HD2 LEU 62 3HD2 LEU 62 7.882 -6.407 -2.542 492 H GLU 63 H GLU 63 8.201 -11.583 1.436 493 HA GLU 63 HA GLU 63 10.378 -13.335 0.518 494 1HB GLU 63 1HB GLU 63 10.946 -13.644 2.926 495 2HB GLU 63 2HB GLU 63 11.240 -12.021 2.321 496 1HG GLU 63 1HG GLU 63 9.135 -11.282 3.333 497 2HG GLU 63 2HG GLU 63 8.879 -12.907 3.965 498 H ASP 64 H ASP 64 7.167 -13.080 1.134 499 HA ASP 64 HA ASP 64 6.530 -15.368 2.619 500 1HB ASP 64 1HB ASP 64 4.955 -13.501 2.083 501 2HB ASP 64 2HB ASP 64 4.864 -14.120 0.438 502 H ASP 65 H ASP 65 7.240 -14.895 -0.719 503 HA ASP 65 HA ASP 65 7.589 -16.303 -2.475 504 1HB ASP 65 1HB ASP 65 8.121 -18.150 -0.159 505 2HB ASP 65 2HB ASP 65 8.259 -18.699 -1.827 506 H SER 66 H SER 66 4.879 -15.956 -1.309 507 HA SER 66 HA SER 66 3.571 -18.497 -1.800 508 1HB SER 66 1HB SER 66 2.782 -15.846 -0.725 509 2HB SER 66 2HB SER 66 1.519 -16.814 -1.476 510 HG SER 66 HG SER 66 1.814 -18.380 0.023 511 H GLY 67 H GLY 67 4.906 -16.471 -3.862 512 1HA GLY 67 1HA GLY 67 4.638 -16.230 -6.143 513 2HA GLY 67 2HA GLY 67 3.201 -17.237 -6.035 514 H PHE 68 H PHE 68 1.188 -16.285 -5.818 515 HA PHE 68 HA PHE 68 0.781 -13.786 -6.980 516 1HB PHE 68 1HB PHE 68 -0.844 -15.816 -6.446 517 2HB PHE 68 2HB PHE 68 -1.224 -14.843 -5.031 518 HD1 PHE 68 HD1 PHE 68 -2.558 -15.692 -7.942 519 HD2 PHE 68 HD2 PHE 68 -1.307 -12.125 -5.975 520 HE1 PHE 68 HE1 PHE 68 -4.157 -14.394 -9.284 521 HE2 PHE 68 HE2 PHE 68 -2.909 -10.827 -7.314 522 HZ PHE 68 HZ PHE 68 -4.335 -11.959 -8.971 523 H VAL 69 H VAL 69 0.914 -14.731 -3.579 524 HA VAL 69 HA VAL 69 0.280 -12.159 -2.547 525 HB VAL 69 HB VAL 69 1.719 -14.391 -1.134 526 1HG1 VAL 69 1HG1 VAL 69 0.123 -12.048 -0.128 527 2HG1 VAL 69 2HG1 VAL 69 1.849 -12.340 0.089 528 3HG1 VAL 69 3HG1 VAL 69 0.672 -13.389 0.878 529 1HG2 VAL 69 1HG2 VAL 69 -0.499 -15.105 -0.357 530 2HG2 VAL 69 2HG2 VAL 69 -0.334 -15.239 -2.108 531 3HG2 VAL 69 3HG2 VAL 69 -1.241 -13.898 -1.407 532 H ARG 70 H ARG 70 3.273 -13.780 -3.389 533 HA ARG 70 HA ARG 70 4.986 -11.899 -2.091 534 1HB ARG 70 1HB ARG 70 5.586 -14.272 -2.729 535 2HB ARG 70 2HB ARG 70 5.701 -13.712 -4.392 536 1HG ARG 70 1HG ARG 70 7.394 -12.026 -3.571 537 2HG ARG 70 2HG ARG 70 7.402 -12.922 -2.050 538 1HD ARG 70 1HD ARG 70 7.882 -14.984 -3.474 539 2HD ARG 70 2HD ARG 70 8.235 -13.853 -4.775 540 HE ARG 70 HE ARG 70 9.699 -13.094 -2.515 541 1HH1 ARG 70 1HH1 ARG 70 9.562 -15.669 -4.862 542 2HH1 ARG 70 2HH1 ARG 70 11.245 -16.051 -4.727 543 1HH2 ARG 70 1HH2 ARG 70 11.908 -13.598 -2.329 544 2HH2 ARG 70 2HH2 ARG 70 12.577 -14.877 -3.286 545 H SER 71 H SER 71 4.420 -12.532 -5.550 546 HA SER 71 HA SER 71 5.734 -10.352 -6.599 547 1HB SER 71 1HB SER 71 3.200 -11.620 -7.667 548 2HB SER 71 2HB SER 71 4.331 -10.634 -8.592 549 HG SER 71 HG SER 71 4.458 -13.265 -7.963 550 H GLY 72 H GLY 72 2.595 -10.502 -5.087 551 1HA GLY 72 1HA GLY 72 1.480 -8.111 -6.009 552 2HA GLY 72 2HA GLY 72 1.123 -8.858 -4.457 553 H ALA 73 H ALA 73 3.609 -8.693 -3.232 554 HA ALA 73 HA ALA 73 3.593 -5.972 -2.379 555 1HB ALA 73 1HB ALA 73 4.071 -7.738 -0.801 556 2HB ALA 73 2HB ALA 73 5.457 -6.654 -0.916 557 3HB ALA 73 3HB ALA 73 5.492 -8.220 -1.727 558 H ALA 74 H ALA 74 5.608 -7.898 -4.504 559 HA ALA 74 HA ALA 74 7.842 -6.283 -4.741 560 1HB ALA 74 1HB ALA 74 8.173 -7.294 -6.935 561 2HB ALA 74 2HB ALA 74 6.504 -7.863 -6.938 562 3HB ALA 74 3HB ALA 74 7.653 -8.503 -5.763 563 H ARG 75 H ARG 75 4.754 -6.092 -6.456 564 HA ARG 75 HA ARG 75 5.544 -3.722 -7.906 565 1HB ARG 75 1HB ARG 75 3.097 -3.776 -8.627 566 2HB ARG 75 2HB ARG 75 4.093 -5.140 -9.113 567 1HG ARG 75 1HG ARG 75 3.187 -6.449 -7.242 568 2HG ARG 75 2HG ARG 75 2.162 -5.083 -6.803 569 1HD ARG 75 1HD ARG 75 1.119 -6.954 -8.207 570 2HD ARG 75 2HD ARG 75 0.859 -5.287 -8.732 571 HE ARG 75 HE ARG 75 2.136 -5.701 -10.606 572 1HH1 ARG 75 1HH1 ARG 75 2.437 -8.354 -8.367 573 2HH1 ARG 75 2HH1 ARG 75 3.243 -9.387 -9.500 574 1HH2 ARG 75 1HH2 ARG 75 3.199 -7.053 -12.103 575 2HH2 ARG 75 2HH2 ARG 75 3.677 -8.647 -11.623 576 H SER 76 H SER 76 3.830 -4.541 -4.999 577 HA SER 76 HA SER 76 2.403 -2.157 -4.604 578 1HB SER 76 1HB SER 76 3.491 -4.182 -2.645 579 2HB SER 76 2HB SER 76 2.477 -2.824 -2.162 580 HG SER 76 HG SER 76 1.310 -4.796 -2.571 581 H LEU 77 H LEU 77 5.769 -2.840 -4.356 582 HA LEU 77 HA LEU 77 6.478 -0.853 -2.466 583 1HB LEU 77 1HB LEU 77 8.133 -1.952 -4.738 584 2HB LEU 77 2HB LEU 77 8.746 -1.059 -3.362 585 HG LEU 77 HG LEU 77 7.890 -3.896 -3.553 586 1HD1 LEU 77 1HD1 LEU 77 10.003 -2.443 -1.981 587 2HD1 LEU 77 2HD1 LEU 77 10.237 -3.232 -3.541 588 3HD1 LEU 77 3HD1 LEU 77 9.828 -4.193 -2.120 589 1HD2 LEU 77 1HD2 LEU 77 7.550 -2.205 -1.082 590 2HD2 LEU 77 2HD2 LEU 77 7.700 -3.961 -1.048 591 3HD2 LEU 77 3HD2 LEU 77 6.340 -3.210 -1.881 592 H GLU 78 H GLU 78 6.908 -0.825 -6.006 593 HA GLU 78 HA GLU 78 7.425 1.922 -6.189 594 1HB GLU 78 1HB GLU 78 7.892 0.253 -7.987 595 2HB GLU 78 2HB GLU 78 6.166 0.168 -8.309 596 1HG GLU 78 1HG GLU 78 6.138 2.507 -8.935 597 2HG GLU 78 2HG GLU 78 7.851 2.650 -8.542 598 H GLN 79 H GLN 79 4.518 0.161 -5.748 599 HA GLN 79 HA GLN 79 2.651 2.031 -6.759 600 1HB GLN 79 1HB GLN 79 2.594 -0.442 -5.260 601 2HB GLN 79 2HB GLN 79 1.448 0.708 -4.589 602 1HG GLN 79 1HG GLN 79 0.018 0.187 -6.186 603 2HG GLN 79 2HG GLN 79 1.151 0.801 -7.388 604 1HE2 GLN 79 1HE2 GLN 79 -0.030 -2.034 -5.737 605 2HE2 GLN 79 2HE2 GLN 79 0.640 -3.190 -6.832 606 H ILE 80 H ILE 80 4.236 1.618 -3.648 607 HA ILE 80 HA ILE 80 2.771 3.821 -2.457 608 HB ILE 80 HB ILE 80 4.986 2.065 -1.377 609 1HG1 ILE 80 1HG1 ILE 80 2.027 2.194 -0.733 610 2HG1 ILE 80 2HG1 ILE 80 2.802 0.957 -1.715 611 1HG2 ILE 80 1HG2 ILE 80 3.402 4.240 -0.005 612 2HG2 ILE 80 2HG2 ILE 80 5.134 4.240 -0.331 613 3HG2 ILE 80 3HG2 ILE 80 4.452 3.088 0.816 614 1HD1 ILE 80 1HD1 ILE 80 2.380 0.148 0.526 615 2HD1 ILE 80 2HD1 ILE 80 3.312 1.483 1.204 616 3HD1 ILE 80 3HD1 ILE 80 4.114 0.254 0.225 617 H GLY 81 H GLY 81 6.242 3.075 -2.892 618 1HA GLY 81 1HA GLY 81 8.021 4.431 -3.410 619 2HA GLY 81 2HA GLY 81 6.861 5.587 -4.047 620 H GLY 82 H GLY 82 9.313 5.372 -1.977 621 1HA GLY 82 1HA GLY 82 9.316 7.725 -0.794 622 2HA GLY 82 2HA GLY 82 8.101 6.924 0.186 623 H GLU 83 H GLU 83 9.866 7.659 1.766 624 HA GLU 83 HA GLU 83 12.270 6.134 1.913 625 1HB GLU 83 1HB GLU 83 11.995 8.391 2.918 626 2HB GLU 83 2HB GLU 83 10.885 7.702 4.095 627 1HG GLU 83 1HG GLU 83 12.680 6.271 4.941 628 2HG GLU 83 2HG GLU 83 13.789 6.982 3.771 629 H ARG 84 H ARG 84 9.026 5.588 2.905 630 HA ARG 84 HA ARG 84 9.570 3.731 4.982 631 1HB ARG 84 1HB ARG 84 7.194 3.142 4.831 632 2HB ARG 84 2HB ARG 84 7.422 4.882 4.877 633 1HG ARG 84 1HG ARG 84 7.141 3.507 2.244 634 2HG ARG 84 2HG ARG 84 5.712 3.810 3.228 635 1HD ARG 84 1HD ARG 84 7.633 5.812 2.065 636 2HD ARG 84 2HD ARG 84 5.909 5.645 1.755 637 HE ARG 84 HE ARG 84 6.302 6.163 4.488 638 1HH1 ARG 84 1HH1 ARG 84 6.556 7.741 1.393 639 2HH1 ARG 84 2HH1 ARG 84 6.246 9.321 2.028 640 1HH2 ARG 84 1HH2 ARG 84 5.892 8.242 5.335 641 2HH2 ARG 84 2HH2 ARG 84 5.869 9.607 4.268 642 H VAL 85 H VAL 85 8.721 3.380 1.561 643 HA VAL 85 HA VAL 85 8.796 0.538 1.582 644 HB VAL 85 HB VAL 85 9.202 2.293 -0.831 645 1HG1 VAL 85 1HG1 VAL 85 8.082 0.427 -1.987 646 2HG1 VAL 85 2HG1 VAL 85 8.041 -0.465 -0.465 647 3HG1 VAL 85 3HG1 VAL 85 9.587 -0.064 -1.212 648 1HG2 VAL 85 1HG2 VAL 85 7.257 3.085 0.429 649 2HG2 VAL 85 2HG2 VAL 85 6.591 1.452 0.421 650 3HG2 VAL 85 3HG2 VAL 85 6.785 2.333 -1.095 651 H ARG 86 H ARG 86 11.202 3.016 1.235 652 HA ARG 86 HA ARG 86 13.166 1.593 -0.164 653 1HB ARG 86 1HB ARG 86 14.592 3.325 0.327 654 2HB ARG 86 2HB ARG 86 13.047 4.107 0.619 655 1HG ARG 86 1HG ARG 86 14.063 4.747 2.518 656 2HG ARG 86 2HG ARG 86 13.528 3.161 3.076 657 1HD ARG 86 1HD ARG 86 15.675 2.205 2.635 658 2HD ARG 86 2HD ARG 86 16.219 3.671 1.822 659 HE ARG 86 HE ARG 86 15.492 4.330 4.441 660 1HH1 ARG 86 1HH1 ARG 86 17.915 2.478 2.752 661 2HH1 ARG 86 2HH1 ARG 86 19.128 2.721 3.964 662 1HH2 ARG 86 1HH2 ARG 86 17.084 4.656 6.038 663 2HH2 ARG 86 2HH2 ARG 86 18.657 3.959 5.831 664 H ALA 87 H ALA 87 11.964 1.219 3.008 665 HA ALA 87 HA ALA 87 14.295 -0.133 4.048 666 1HB ALA 87 1HB ALA 87 12.820 1.161 5.524 667 2HB ALA 87 2HB ALA 87 12.939 -0.526 6.027 668 3HB ALA 87 3HB ALA 87 11.503 0.042 5.176 669 H ALA 88 H ALA 88 11.284 -0.963 2.501 670 HA ALA 88 HA ALA 88 11.299 -3.731 3.135 671 1HB ALA 88 1HB ALA 88 9.638 -3.912 1.294 672 2HB ALA 88 2HB ALA 88 9.915 -2.207 0.933 673 3HB ALA 88 3HB ALA 88 9.239 -2.682 2.492 674 H MET 89 H MET 89 12.535 -1.838 0.400 675 HA MET 89 HA MET 89 13.284 -4.112 -1.139 676 1HB MET 89 1HB MET 89 14.246 -2.582 -2.659 677 2HB MET 89 2HB MET 89 12.855 -1.742 -1.991 678 1HG MET 89 1HG MET 89 14.467 -0.679 -0.356 679 2HG MET 89 2HG MET 89 15.746 -1.330 -1.373 680 1HE MET 89 1HE MET 89 15.240 1.707 -0.541 681 2HE MET 89 2HE MET 89 15.497 2.603 -2.038 682 3HE MET 89 3HE MET 89 16.619 1.323 -1.572 683 H GLU 90 H GLU 90 14.934 -1.998 1.163 684 HA GLU 90 HA GLU 90 17.523 -3.067 0.805 685 1HB GLU 90 1HB GLU 90 16.223 -1.662 3.140 686 2HB GLU 90 2HB GLU 90 17.912 -2.150 3.143 687 1HG GLU 90 1HG GLU 90 16.664 -0.290 1.134 688 2HG GLU 90 2HG GLU 90 17.580 0.217 2.553 689 H LYS 91 H LYS 91 14.714 -4.138 2.519 690 HA LYS 91 HA LYS 91 15.940 -5.947 4.303 691 1HB LYS 91 1HB LYS 91 13.578 -5.177 4.466 692 2HB LYS 91 2HB LYS 91 13.194 -6.146 3.051 693 1HG LYS 91 1HG LYS 91 12.525 -7.314 5.043 694 2HG LYS 91 2HG LYS 91 13.865 -8.169 4.278 695 1HD LYS 91 1HD LYS 91 15.418 -7.090 5.870 696 2HD LYS 91 2HD LYS 91 14.040 -6.325 6.662 697 1HE LYS 91 1HE LYS 91 14.802 -8.355 7.835 698 2HE LYS 91 2HE LYS 91 13.138 -8.484 7.265 699 1HZ LYS 91 1HZ LYS 91 13.880 -9.803 5.414 700 2HZ LYS 91 2HZ LYS 91 14.446 -10.499 6.848 701 3HZ LYS 91 3HZ LYS 91 15.501 -9.614 5.865 702 H LEU 92 H LEU 92 14.566 -6.400 1.054 703 HA LEU 92 HA LEU 92 15.234 -9.159 0.873 704 1HB LEU 92 1HB LEU 92 14.765 -7.161 -1.343 705 2HB LEU 92 2HB LEU 92 14.765 -8.909 -1.513 706 HG LEU 92 HG LEU 92 12.823 -7.421 0.233 707 1HD1 LEU 92 1HD1 LEU 92 11.217 -7.588 -1.521 708 2HD1 LEU 92 2HD1 LEU 92 12.332 -8.507 -2.530 709 3HD1 LEU 92 3HD1 LEU 92 12.651 -6.809 -2.185 710 1HD2 LEU 92 1HD2 LEU 92 12.803 -10.230 -0.866 711 2HD2 LEU 92 2HD2 LEU 92 11.596 -9.512 0.201 712 3HD2 LEU 92 3HD2 LEU 92 13.236 -9.787 0.784 713 H ALA 93 H ALA 93 16.873 -6.183 0.012 714 HA ALA 93 HA ALA 93 18.943 -7.197 -1.517 715 1HB ALA 93 1HB ALA 93 20.226 -5.234 -0.863 716 2HB ALA 93 2HB ALA 93 19.115 -4.940 0.476 717 3HB ALA 93 3HB ALA 93 18.548 -4.801 -1.188 718 H GLU 94 H GLU 94 18.500 -7.260 1.955 719 HA GLU 94 HA GLU 94 21.130 -8.484 2.321 720 1HB GLU 94 1HB GLU 94 20.736 -8.216 4.710 721 2HB GLU 94 2HB GLU 94 20.510 -6.693 3.865 722 1HG GLU 94 1HG GLU 94 18.123 -6.911 4.002 723 2HG GLU 94 2HG GLU 94 18.276 -8.522 4.700 724 H THR 95 H THR 95 17.928 -9.392 1.825 725 HA THR 95 HA THR 95 18.143 -11.885 3.327 726 HB THR 95 HB THR 95 15.861 -11.005 1.584 727 HG1 THR 95 HG1 THR 95 15.262 -10.868 4.167 728 1HG2 THR 95 1HG2 THR 95 15.899 -13.396 2.019 729 2HG2 THR 95 2HG2 THR 95 14.580 -12.636 2.909 730 3HG2 THR 95 3HG2 THR 95 16.062 -13.094 3.748 731 H GLY 96 H GLY 96 18.356 -10.690 0.087 732 1HA GLY 96 1HA GLY 96 18.976 -11.678 -1.876 733 2HA GLY 96 2HA GLY 96 19.638 -12.970 -0.894 734 H THR 97 H THR 97 17.407 -12.196 -3.204 735 HA THR 97 HA THR 97 16.114 -14.793 -2.927 736 HB THR 97 HB THR 97 13.878 -13.668 -3.465 737 HG1 THR 97 HG1 THR 97 15.496 -11.465 -2.833 738 1HG2 THR 97 1HG2 THR 97 14.462 -14.696 -1.277 739 2HG2 THR 97 2HG2 THR 97 13.347 -13.337 -1.136 740 3HG2 THR 97 3HG2 THR 97 15.053 -13.123 -0.739 741 H GLY 98 H GLY 98 14.386 -14.850 -4.914 742 1HA GLY 98 1HA GLY 98 16.071 -14.589 -7.257 743 2HA GLY 98 2HA GLY 98 14.489 -15.352 -7.186 744 H PHE 99 H PHE 99 12.606 -14.006 -7.243 745 HA PHE 99 HA PHE 99 12.925 -11.782 -9.035 746 1HB PHE 99 1HB PHE 99 11.071 -13.246 -9.417 747 2HB PHE 99 2HB PHE 99 10.516 -13.077 -7.757 748 HD1 PHE 99 HD1 PHE 99 11.172 -10.988 -10.780 749 HD2 PHE 99 HD2 PHE 99 8.778 -11.646 -7.323 750 HE1 PHE 99 HE1 PHE 99 9.680 -9.155 -11.468 751 HE2 PHE 99 HE2 PHE 99 7.282 -9.816 -8.006 752 HZ PHE 99 HZ PHE 99 7.732 -8.569 -10.081 753 H ALA 100 H ALA 100 11.964 -12.229 -5.668 754 HA ALA 100 HA ALA 100 11.087 -9.650 -5.087 755 1HB ALA 100 1HB ALA 100 10.777 -11.531 -3.574 756 2HB ALA 100 2HB ALA 100 11.572 -10.189 -2.751 757 3HB ALA 100 3HB ALA 100 12.514 -11.587 -3.269 758 H ARG 101 H ARG 101 14.363 -10.999 -4.973 759 HA ARG 101 HA ARG 101 15.650 -8.795 -3.829 760 1HB ARG 101 1HB ARG 101 16.725 -10.960 -4.014 761 2HB ARG 101 2HB ARG 101 16.691 -10.852 -5.768 762 1HG ARG 101 1HG ARG 101 18.913 -10.388 -4.870 763 2HG ARG 101 2HG ARG 101 18.245 -8.989 -5.708 764 1HD ARG 101 1HD ARG 101 17.514 -8.123 -3.463 765 2HD ARG 101 2HD ARG 101 18.443 -9.435 -2.737 766 HE ARG 101 HE ARG 101 20.436 -8.443 -3.694 767 1HH1 ARG 101 1HH1 ARG 101 17.566 -6.466 -3.664 768 2HH1 ARG 101 2HH1 ARG 101 18.436 -4.975 -3.795 769 1HH2 ARG 101 1HH2 ARG 101 21.590 -6.485 -3.869 770 2HH2 ARG 101 2HH2 ARG 101 20.724 -4.986 -3.912 771 H LYS 102 H LYS 102 15.637 -9.702 -7.289 772 HA LYS 102 HA LYS 102 16.822 -7.433 -8.302 773 1HB LYS 102 1HB LYS 102 16.481 -9.142 -9.857 774 2HB LYS 102 2HB LYS 102 14.785 -9.327 -9.431 775 1HG LYS 102 1HG LYS 102 14.149 -7.447 -10.657 776 2HG LYS 102 2HG LYS 102 15.798 -6.825 -10.736 777 1HD LYS 102 1HD LYS 102 16.430 -8.667 -12.208 778 2HD LYS 102 2HD LYS 102 14.796 -9.325 -12.102 779 1HE LYS 102 1HE LYS 102 13.900 -7.333 -13.162 780 2HE LYS 102 2HE LYS 102 15.509 -6.610 -13.206 781 1HZ LYS 102 1HZ LYS 102 14.919 -7.556 -15.341 782 2HZ LYS 102 2HZ LYS 102 14.676 -9.075 -14.639 783 3HZ LYS 102 3HZ LYS 102 16.226 -8.398 -14.672 784 H VAL 103 H VAL 103 13.492 -7.965 -7.370 785 HA VAL 103 HA VAL 103 12.370 -5.609 -8.386 786 HB VAL 103 HB VAL 103 11.630 -7.447 -6.130 787 1HG1 VAL 103 1HG1 VAL 103 9.518 -6.207 -5.865 788 2HG1 VAL 103 2HG1 VAL 103 10.123 -4.958 -6.951 789 3HG1 VAL 103 3HG1 VAL 103 10.912 -5.235 -5.398 790 1HG2 VAL 103 1HG2 VAL 103 9.834 -8.091 -7.560 791 2HG2 VAL 103 2HG2 VAL 103 11.309 -8.087 -8.527 792 3HG2 VAL 103 3HG2 VAL 103 10.159 -6.757 -8.667 793 H ALA 104 H ALA 104 13.923 -6.322 -5.288 794 HA ALA 104 HA ALA 104 13.384 -3.860 -4.036 795 1HB ALA 104 1HB ALA 104 15.576 -5.873 -3.577 796 2HB ALA 104 2HB ALA 104 14.023 -5.775 -2.746 797 3HB ALA 104 3HB ALA 104 15.230 -4.510 -2.515 798 H VAL 105 H VAL 105 16.444 -5.007 -5.461 799 HA VAL 105 HA VAL 105 17.837 -2.597 -5.222 800 HB VAL 105 HB VAL 105 19.033 -4.636 -5.629 801 1HG1 VAL 105 1HG1 VAL 105 17.345 -5.784 -6.973 802 2HG1 VAL 105 2HG1 VAL 105 18.936 -5.848 -7.731 803 3HG1 VAL 105 3HG1 VAL 105 17.716 -4.727 -8.336 804 1HG2 VAL 105 1HG2 VAL 105 20.523 -3.952 -7.450 805 2HG2 VAL 105 2HG2 VAL 105 20.101 -2.593 -6.409 806 3HG2 VAL 105 3HG2 VAL 105 19.323 -2.775 -7.981 807 H ASN 106 H ASN 106 16.047 -3.903 -7.990 808 HA ASN 106 HA ASN 106 16.605 -1.759 -9.729 809 1HB ASN 106 1HB ASN 106 15.802 -3.890 -10.578 810 2HB ASN 106 2HB ASN 106 14.277 -3.686 -9.721 811 1HD2 ASN 106 1HD2 ASN 106 13.023 -3.770 -11.550 812 2HD2 ASN 106 2HD2 ASN 106 13.001 -2.513 -12.735 813 H TYR 107 H TYR 107 14.150 -2.177 -7.239 814 HA TYR 107 HA TYR 107 12.383 -0.177 -8.130 815 1HB TYR 107 1HB TYR 107 11.517 -1.685 -6.569 816 2HB TYR 107 2HB TYR 107 12.904 -1.519 -5.502 817 HD1 TYR 107 HD1 TYR 107 12.482 -0.519 -3.565 818 HD2 TYR 107 HD2 TYR 107 10.323 0.782 -6.965 819 HE1 TYR 107 HE1 TYR 107 11.308 1.131 -2.164 820 HE2 TYR 107 HE2 TYR 107 9.132 2.439 -5.594 821 HH TYR 107 HH TYR 107 10.114 3.277 -2.462 822 H LEU 108 H LEU 108 15.409 -0.056 -6.436 823 HA LEU 108 HA LEU 108 15.305 2.370 -5.129 824 1HB LEU 108 1HB LEU 108 17.342 0.582 -6.048 825 2HB LEU 108 2HB LEU 108 17.842 2.228 -6.377 826 HG LEU 108 HG LEU 108 16.987 1.206 -3.669 827 1HD1 LEU 108 1HD1 LEU 108 19.078 0.178 -4.428 828 2HD1 LEU 108 2HD1 LEU 108 19.338 1.286 -3.081 829 3HD1 LEU 108 3HD1 LEU 108 19.751 1.781 -4.723 830 1HD2 LEU 108 1HD2 LEU 108 17.951 3.321 -2.865 831 2HD2 LEU 108 2HD2 LEU 108 16.580 3.582 -3.942 832 3HD2 LEU 108 3HD2 LEU 108 18.224 3.817 -4.535 833 H GLU 109 H GLU 109 15.404 1.748 -8.537 834 HA GLU 109 HA GLU 109 16.403 4.140 -9.535 835 1HB GLU 109 1HB GLU 109 14.233 2.358 -10.649 836 2HB GLU 109 2HB GLU 109 14.997 3.662 -11.548 837 1HG GLU 109 1HG GLU 109 16.399 1.246 -10.427 838 2HG GLU 109 2HG GLU 109 15.942 1.486 -12.112 839 H THR 110 H THR 110 13.508 3.579 -7.824 840 HA THR 110 HA THR 110 12.312 6.093 -8.748 841 HB THR 110 HB THR 110 11.039 4.066 -6.912 842 HG1 THR 110 HG1 THR 110 10.050 3.247 -8.819 843 1HG2 THR 110 1HG2 THR 110 10.074 6.364 -7.014 844 2HG2 THR 110 2HG2 THR 110 8.968 5.106 -7.564 845 3HG2 THR 110 3HG2 THR 110 9.800 6.125 -8.739 846 H HIS 111 H HIS 111 12.241 4.451 -5.595 847 HA HIS 111 HA HIS 111 13.319 6.890 -4.354 848 1HB HIS 111 1HB HIS 111 10.891 5.324 -3.463 849 2HB HIS 111 2HB HIS 111 11.712 6.505 -2.448 850 HD1 HIS 111 HD1 HIS 111 11.883 8.996 -3.700 851 HD2 HIS 111 HD2 HIS 111 8.859 6.401 -4.879 852 HE1 HIS 111 HE1 HIS 111 10.164 10.439 -4.834 853 HE2 HIS 111 HE2 HIS 111 8.386 8.835 -5.618 Start of MODEL 24 1 H MET 1 H MET 1 -18.214 11.475 14.355 2 HA MET 1 HA MET 1 -17.535 13.623 15.160 3 1HB MET 1 1HB MET 1 -15.351 13.521 13.844 4 2HB MET 1 2HB MET 1 -16.278 14.052 12.449 5 1HG MET 1 1HG MET 1 -16.172 15.585 15.030 6 2HG MET 1 2HG MET 1 -15.038 15.840 13.704 7 1HE MET 1 1HE MET 1 -16.960 18.061 15.066 8 2HE MET 1 2HE MET 1 -17.481 18.961 13.643 9 3HE MET 1 3HE MET 1 -15.800 18.452 13.798 10 H ALA 2 H ALA 2 -17.954 13.525 11.621 11 HA ALA 2 HA ALA 2 -20.701 14.509 11.978 12 1HB ALA 2 1HB ALA 2 -20.367 16.073 10.094 13 2HB ALA 2 2HB ALA 2 -18.653 15.658 10.085 14 3HB ALA 2 3HB ALA 2 -19.360 16.456 11.490 15 H ASP 3 H ASP 3 -18.410 13.516 9.428 16 HA ASP 3 HA ASP 3 -20.360 11.535 8.510 17 1HB ASP 3 1HB ASP 3 -19.003 13.539 6.691 18 2HB ASP 3 2HB ASP 3 -20.015 12.200 6.159 19 H GLU 4 H GLU 4 -17.313 12.236 9.478 20 HA GLU 4 HA GLU 4 -15.849 10.524 7.674 21 1HB GLU 4 1HB GLU 4 -14.970 11.702 10.316 22 2HB GLU 4 2HB GLU 4 -13.928 11.011 9.078 23 1HG GLU 4 1HG GLU 4 -14.610 12.795 7.534 24 2HG GLU 4 2HG GLU 4 -15.599 13.500 8.811 25 H ASN 5 H ASN 5 -16.395 10.438 11.197 26 HA ASN 5 HA ASN 5 -16.066 7.527 11.129 27 1HB ASN 5 1HB ASN 5 -16.191 9.380 13.519 28 2HB ASN 5 2HB ASN 5 -15.763 7.672 13.542 29 1HD2 ASN 5 1HD2 ASN 5 -14.203 9.894 14.479 30 2HD2 ASN 5 2HD2 ASN 5 -12.736 9.895 13.566 31 H LYS 6 H LYS 6 -18.471 8.829 10.155 32 HA LYS 6 HA LYS 6 -20.479 8.267 12.187 33 1HB LYS 6 1HB LYS 6 -20.700 10.301 10.825 34 2HB LYS 6 2HB LYS 6 -20.778 9.321 9.368 35 1HG LYS 6 1HG LYS 6 -22.843 8.260 10.287 36 2HG LYS 6 2HG LYS 6 -22.787 9.433 11.604 37 1HD LYS 6 1HD LYS 6 -22.982 11.262 10.026 38 2HD LYS 6 2HD LYS 6 -22.919 10.133 8.671 39 1HE LYS 6 1HE LYS 6 -25.070 10.261 10.782 40 2HE LYS 6 2HE LYS 6 -25.209 10.839 9.122 41 1HZ LYS 6 1HZ LYS 6 -24.816 8.541 8.374 42 2HZ LYS 6 2HZ LYS 6 -26.218 8.686 9.310 43 3HZ LYS 6 3HZ LYS 6 -24.815 8.025 9.986 44 H TRP 7 H TRP 7 -19.076 6.813 9.378 45 HA TRP 7 HA TRP 7 -20.766 4.472 9.768 46 1HB TRP 7 1HB TRP 7 -21.296 4.274 7.382 47 2HB TRP 7 2HB TRP 7 -21.952 5.762 8.056 48 HD1 TRP 7 HD1 TRP 7 -20.510 8.062 7.448 49 HE1 TRP 7 HE1 TRP 7 -19.241 8.645 5.286 50 HE3 TRP 7 HE3 TRP 7 -20.004 3.360 5.512 51 HZ2 TRP 7 HZ2 TRP 7 -18.169 7.288 3.052 52 HZ3 TRP 7 HZ3 TRP 7 -18.846 3.087 3.359 53 HH2 TRP 7 HH2 TRP 7 -17.949 5.012 2.155 54 H VAL 8 H VAL 8 -17.902 5.241 10.124 55 HA VAL 8 HA VAL 8 -16.267 4.089 8.174 56 HB VAL 8 HB VAL 8 -15.243 5.441 9.836 57 1HG1 VAL 8 1HG1 VAL 8 -16.179 3.455 11.901 58 2HG1 VAL 8 2HG1 VAL 8 -16.854 5.061 11.636 59 3HG1 VAL 8 3HG1 VAL 8 -15.194 4.885 12.204 60 1HG2 VAL 8 1HG2 VAL 8 -13.852 3.616 8.989 61 2HG2 VAL 8 2HG2 VAL 8 -14.391 2.586 10.316 62 3HG2 VAL 8 3HG2 VAL 8 -13.431 4.028 10.651 63 H ARG 9 H ARG 9 -16.949 2.151 7.393 64 HA ARG 9 HA ARG 9 -17.229 -0.097 7.238 65 1HB ARG 9 1HB ARG 9 -14.912 0.072 8.345 66 2HB ARG 9 2HB ARG 9 -15.730 -0.361 9.839 67 1HG ARG 9 1HG ARG 9 -16.611 -2.386 8.531 68 2HG ARG 9 2HG ARG 9 -15.344 -2.000 7.365 69 1HD ARG 9 1HD ARG 9 -15.006 -2.667 10.284 70 2HD ARG 9 2HD ARG 9 -14.499 -3.636 8.902 71 HE ARG 9 HE ARG 9 -13.094 -1.429 8.486 72 1HH1 ARG 9 1HH1 ARG 9 -13.637 -3.217 11.429 73 2HH1 ARG 9 2HH1 ARG 9 -12.118 -2.771 12.132 74 1HH2 ARG 9 1HH2 ARG 9 -11.092 -0.839 9.401 75 2HH2 ARG 9 2HH2 ARG 9 -10.669 -1.420 10.977 76 H ARG 10 H ARG 10 -18.842 1.682 9.304 77 HA ARG 10 HA ARG 10 -19.912 -0.188 11.145 78 1HB ARG 10 1HB ARG 10 -21.145 2.346 10.037 79 2HB ARG 10 2HB ARG 10 -21.730 1.458 11.439 80 1HG ARG 10 1HG ARG 10 -19.025 2.764 11.217 81 2HG ARG 10 2HG ARG 10 -20.424 3.439 12.054 82 1HD ARG 10 1HD ARG 10 -19.027 0.852 12.728 83 2HD ARG 10 2HD ARG 10 -18.899 2.364 13.624 84 HE ARG 10 HE ARG 10 -21.578 1.799 13.559 85 1HH1 ARG 10 1HH1 ARG 10 -18.715 0.152 14.675 86 2HH1 ARG 10 2HH1 ARG 10 -19.542 -0.695 15.940 87 1HH2 ARG 10 1HH2 ARG 10 -22.671 0.681 15.214 88 2HH2 ARG 10 2HH2 ARG 10 -21.788 -0.390 16.249 89 H ASP 11 H ASP 11 -20.747 -2.032 10.383 90 HA ASP 11 HA ASP 11 -22.229 -3.457 9.406 91 1HB ASP 11 1HB ASP 11 -23.620 -0.886 8.670 92 2HB ASP 11 2HB ASP 11 -24.283 -2.483 8.343 93 H VAL 12 H VAL 12 -20.015 -1.821 7.884 94 HA VAL 12 HA VAL 12 -20.910 -2.229 5.145 95 HB VAL 12 HB VAL 12 -18.221 -1.239 6.111 96 1HG1 VAL 12 1HG1 VAL 12 -18.051 -0.313 3.830 97 2HG1 VAL 12 2HG1 VAL 12 -19.566 -1.115 3.413 98 3HG1 VAL 12 3HG1 VAL 12 -18.149 -2.075 3.841 99 1HG2 VAL 12 1HG2 VAL 12 -19.958 0.242 6.909 100 2HG2 VAL 12 2HG2 VAL 12 -20.681 0.309 5.301 101 3HG2 VAL 12 3HG2 VAL 12 -19.087 1.011 5.582 102 H SER 13 H SER 13 -17.624 -2.850 6.219 103 HA SER 13 HA SER 13 -16.224 -4.613 5.923 104 1HB SER 13 1HB SER 13 -17.657 -5.567 7.696 105 2HB SER 13 2HB SER 13 -18.722 -6.240 6.461 106 HG SER 13 HG SER 13 -17.160 -7.644 5.860 107 H THR 14 H THR 14 -17.978 -3.636 3.603 108 HA THR 14 HA THR 14 -17.207 -5.800 1.786 109 HB THR 14 HB THR 14 -19.593 -6.162 2.246 110 HG1 THR 14 HG1 THR 14 -18.496 -6.150 -0.034 111 1HG2 THR 14 1HG2 THR 14 -20.008 -3.406 1.079 112 2HG2 THR 14 2HG2 THR 14 -20.173 -3.817 2.786 113 3HG2 THR 14 3HG2 THR 14 -21.266 -4.528 1.599 114 H ALA 15 H ALA 15 -16.648 -2.823 2.574 115 HA ALA 15 HA ALA 15 -17.021 -1.445 0.063 116 1HB ALA 15 1HB ALA 15 -15.804 0.406 1.202 117 2HB ALA 15 2HB ALA 15 -15.642 -0.635 2.616 118 3HB ALA 15 3HB ALA 15 -17.243 -0.143 2.061 119 H LEU 16 H LEU 16 -14.920 -3.760 0.986 120 HA LEU 16 HA LEU 16 -12.357 -2.988 0.536 121 1HB LEU 16 1HB LEU 16 -11.822 -5.199 0.082 122 2HB LEU 16 2HB LEU 16 -13.283 -5.307 1.043 123 HG LEU 16 HG LEU 16 -13.172 -5.567 -1.964 124 1HD1 LEU 16 1HD1 LEU 16 -13.619 -7.936 -1.565 125 2HD1 LEU 16 2HD1 LEU 16 -13.490 -7.668 0.174 126 3HD1 LEU 16 3HD1 LEU 16 -12.080 -7.438 -0.861 127 1HD2 LEU 16 1HD2 LEU 16 -15.483 -6.330 -1.759 128 2HD2 LEU 16 2HD2 LEU 16 -15.304 -4.683 -1.154 129 3HD2 LEU 16 3HD2 LEU 16 -15.435 -6.029 -0.022 130 H SER 17 H SER 17 -14.863 -2.842 -1.802 131 HA SER 17 HA SER 17 -13.382 -3.106 -4.173 132 1HB SER 17 1HB SER 17 -15.191 -1.837 -5.245 133 2HB SER 17 2HB SER 17 -15.844 -3.049 -4.143 134 HG SER 17 HG SER 17 -16.350 -0.484 -4.144 135 H ARG 18 H ARG 18 -14.112 -0.248 -2.207 136 HA ARG 18 HA ARG 18 -11.641 0.989 -2.711 137 1HB ARG 18 1HB ARG 18 -12.594 1.259 -4.979 138 2HB ARG 18 2HB ARG 18 -13.953 2.135 -4.288 139 1HG ARG 18 1HG ARG 18 -12.380 3.682 -5.223 140 2HG ARG 18 2HG ARG 18 -12.399 3.850 -3.468 141 1HD ARG 18 1HD ARG 18 -10.379 2.432 -3.349 142 2HD ARG 18 2HD ARG 18 -10.346 2.374 -5.111 143 HE ARG 18 HE ARG 18 -10.378 5.057 -4.228 144 1HH1 ARG 18 1HH1 ARG 18 -8.282 2.279 -4.426 145 2HH1 ARG 18 2HH1 ARG 18 -6.830 3.219 -4.497 146 1HH2 ARG 18 1HH2 ARG 18 -8.470 6.302 -4.319 147 2HH2 ARG 18 2HH2 ARG 18 -6.936 5.507 -4.442 148 H MET 19 H MET 19 -11.539 1.643 -0.630 149 HA MET 19 HA MET 19 -13.567 3.576 0.256 150 1HB MET 19 1HB MET 19 -12.802 2.395 2.606 151 2HB MET 19 2HB MET 19 -14.285 2.046 1.728 152 1HG MET 19 1HG MET 19 -13.225 -0.014 2.299 153 2HG MET 19 2HG MET 19 -13.114 0.217 0.557 154 1HE MET 19 1HE MET 19 -9.655 -0.940 0.111 155 2HE MET 19 2HE MET 19 -10.961 -0.110 -0.733 156 3HE MET 19 3HE MET 19 -11.305 -1.553 0.220 157 H GLY 20 H GLY 20 -10.301 2.292 0.770 158 1HA GLY 20 1HA GLY 20 -8.341 3.481 1.090 159 2HA GLY 20 2HA GLY 20 -9.276 4.966 1.079 160 H ASP 21 H ASP 21 -10.652 2.803 3.250 161 HA ASP 21 HA ASP 21 -8.963 3.070 5.487 162 1HB ASP 21 1HB ASP 21 -10.434 4.756 6.734 163 2HB ASP 21 2HB ASP 21 -9.340 5.398 5.509 164 H GLU 22 H GLU 22 -12.167 2.582 4.191 165 HA GLU 22 HA GLU 22 -13.320 1.589 6.608 166 1HB GLU 22 1HB GLU 22 -14.268 1.087 3.790 167 2HB GLU 22 2HB GLU 22 -15.217 0.982 5.265 168 1HG GLU 22 1HG GLU 22 -13.949 3.528 4.294 169 2HG GLU 22 2HG GLU 22 -15.588 3.032 3.873 170 H ALA 23 H ALA 23 -11.922 0.013 3.741 171 HA ALA 23 HA ALA 23 -12.264 -2.565 5.105 172 1HB ALA 23 1HB ALA 23 -11.695 -2.050 2.198 173 2HB ALA 23 2HB ALA 23 -13.281 -2.385 2.892 174 3HB ALA 23 3HB ALA 23 -12.018 -3.614 2.944 175 H PHE 24 H PHE 24 -9.949 -0.473 5.359 176 HA PHE 24 HA PHE 24 -7.621 -1.605 4.299 177 1HB PHE 24 1HB PHE 24 -7.972 0.648 5.554 178 2HB PHE 24 2HB PHE 24 -7.630 -0.302 6.999 179 HD1 PHE 24 HD1 PHE 24 -6.194 1.753 4.626 180 HD2 PHE 24 HD2 PHE 24 -5.502 -1.924 6.652 181 HE1 PHE 24 HE1 PHE 24 -3.791 1.972 4.203 182 HE2 PHE 24 HE2 PHE 24 -3.097 -1.708 6.224 183 HZ PHE 24 HZ PHE 24 -2.232 0.243 5.000 184 H GLU 25 H GLU 25 -9.121 -2.078 7.488 185 HA GLU 25 HA GLU 25 -7.298 -4.027 8.367 186 1HB GLU 25 1HB GLU 25 -9.971 -3.104 9.228 187 2HB GLU 25 2HB GLU 25 -9.446 -4.690 9.759 188 1HG GLU 25 1HG GLU 25 -8.824 -3.187 11.464 189 2HG GLU 25 2HG GLU 25 -7.342 -3.592 10.599 190 HA PRO 26 HA PRO 26 -10.822 -7.326 7.126 191 1HB PRO 26 1HB PRO 26 -11.687 -5.794 4.710 192 2HB PRO 26 2HB PRO 26 -12.616 -6.898 5.729 193 1HG PRO 26 1HG PRO 26 -12.924 -4.262 5.944 194 2HG PRO 26 2HG PRO 26 -12.957 -5.307 7.375 195 1HD PRO 26 1HD PRO 26 -10.837 -3.447 6.438 196 2HD PRO 26 2HD PRO 26 -11.266 -3.934 8.087 197 H LEU 27 H LEU 27 -8.905 -5.275 5.118 198 HA LEU 27 HA LEU 27 -8.250 -7.236 3.137 199 1HB LEU 27 1HB LEU 27 -7.364 -4.480 3.868 200 2HB LEU 27 2HB LEU 27 -6.399 -5.419 2.733 201 HG LEU 27 HG LEU 27 -9.338 -4.876 2.321 202 1HD1 LEU 27 1HD1 LEU 27 -8.666 -3.123 0.764 203 2HD1 LEU 27 2HD1 LEU 27 -6.981 -3.353 1.227 204 3HD1 LEU 27 3HD1 LEU 27 -8.143 -2.752 2.407 205 1HD2 LEU 27 1HD2 LEU 27 -8.773 -5.424 -0.019 206 2HD2 LEU 27 2HD2 LEU 27 -8.499 -6.771 1.085 207 3HD2 LEU 27 3HD2 LEU 27 -7.134 -5.823 0.496 208 H LEU 28 H LEU 28 -6.622 -5.759 5.910 209 HA LEU 28 HA LEU 28 -4.241 -7.293 5.721 210 1HB LEU 28 1HB LEU 28 -4.133 -5.245 6.910 211 2HB LEU 28 2HB LEU 28 -5.510 -5.660 7.910 212 HG LEU 28 HG LEU 28 -4.122 -7.416 9.007 213 1HD1 LEU 28 1HD1 LEU 28 -2.518 -7.701 7.142 214 2HD1 LEU 28 2HD1 LEU 28 -1.736 -7.436 8.700 215 3HD1 LEU 28 3HD1 LEU 28 -1.836 -6.121 7.528 216 1HD2 LEU 28 1HD2 LEU 28 -2.712 -5.805 10.280 217 2HD2 LEU 28 2HD2 LEU 28 -4.398 -5.313 10.109 218 3HD2 LEU 28 3HD2 LEU 28 -3.155 -4.566 9.104 219 H GLU 29 H GLU 29 -7.389 -7.933 6.865 220 HA GLU 29 HA GLU 29 -6.708 -10.000 8.728 221 1HB GLU 29 1HB GLU 29 -8.816 -8.684 8.851 222 2HB GLU 29 2HB GLU 29 -9.350 -9.452 7.363 223 1HG GLU 29 1HG GLU 29 -10.390 -10.526 9.237 224 2HG GLU 29 2HG GLU 29 -9.250 -11.640 8.485 225 H SER 30 H SER 30 -7.172 -9.760 5.322 226 HA SER 30 HA SER 30 -7.867 -12.440 4.749 227 1HB SER 30 1HB SER 30 -6.487 -10.355 3.044 228 2HB SER 30 2HB SER 30 -7.095 -11.896 2.440 229 HG SER 30 HG SER 30 -8.826 -10.710 2.133 230 H LEU 31 H LEU 31 -4.871 -10.914 5.553 231 HA LEU 31 HA LEU 31 -3.105 -12.781 4.381 232 1HB LEU 31 1HB LEU 31 -2.716 -11.061 6.831 233 2HB LEU 31 2HB LEU 31 -1.441 -11.913 5.982 234 HG LEU 31 HG LEU 31 -3.106 -9.646 4.879 235 1HD1 LEU 31 1HD1 LEU 31 -1.090 -8.353 4.986 236 2HD1 LEU 31 2HD1 LEU 31 -0.169 -9.750 5.543 237 3HD1 LEU 31 3HD1 LEU 31 -1.403 -9.036 6.581 238 1HD2 LEU 31 1HD2 LEU 31 -2.522 -11.264 3.138 239 2HD2 LEU 31 2HD2 LEU 31 -0.827 -11.168 3.616 240 3HD2 LEU 31 3HD2 LEU 31 -1.634 -9.754 2.938 241 H SER 32 H SER 32 -5.306 -13.111 6.885 242 HA SER 32 HA SER 32 -3.802 -15.126 8.341 243 1HB SER 32 1HB SER 32 -5.279 -13.584 9.577 244 2HB SER 32 2HB SER 32 -6.666 -14.187 8.670 245 HG SER 32 HG SER 32 -6.543 -15.245 10.652 246 H ASN 33 H ASN 33 -5.108 -15.200 5.445 247 HA ASN 33 HA ASN 33 -6.507 -17.761 5.751 248 1HB ASN 33 1HB ASN 33 -6.623 -15.562 3.773 249 2HB ASN 33 2HB ASN 33 -6.808 -17.191 3.132 250 1HD2 ASN 33 1HD2 ASN 33 -8.124 -14.799 5.299 251 2HD2 ASN 33 2HD2 ASN 33 -9.693 -15.504 5.431 252 H GLU 34 H GLU 34 -5.639 -19.612 5.099 253 HA GLU 34 HA GLU 34 -2.926 -19.737 4.280 254 1HB GLU 34 1HB GLU 34 -3.417 -22.192 4.001 255 2HB GLU 34 2HB GLU 34 -3.761 -21.532 5.595 256 1HG GLU 34 1HG GLU 34 -6.139 -21.372 4.991 257 2HG GLU 34 2HG GLU 34 -5.772 -22.097 3.426 258 H ASP 35 H ASP 35 -5.618 -18.933 2.554 259 HA ASP 35 HA ASP 35 -5.051 -20.335 0.109 260 1HB ASP 35 1HB ASP 35 -6.808 -17.920 0.599 261 2HB ASP 35 2HB ASP 35 -6.788 -18.897 -0.866 262 H TRP 36 H TRP 36 -4.257 -19.426 -1.831 263 HA TRP 36 HA TRP 36 -2.243 -17.382 -1.392 264 1HB TRP 36 1HB TRP 36 -2.844 -19.040 -3.852 265 2HB TRP 36 2HB TRP 36 -1.457 -17.975 -3.651 266 HD1 TRP 36 HD1 TRP 36 -1.166 -19.146 -0.465 267 HE1 TRP 36 HE1 TRP 36 0.124 -21.363 -0.225 268 HE3 TRP 36 HE3 TRP 36 -1.506 -20.818 -5.286 269 HZ2 TRP 36 HZ2 TRP 36 0.892 -23.525 -1.854 270 HZ3 TRP 36 HZ3 TRP 36 -0.463 -22.973 -5.860 271 HH2 TRP 36 HH2 TRP 36 0.711 -24.294 -4.174 272 H ARG 37 H ARG 37 -5.044 -17.913 -3.500 273 HA ARG 37 HA ARG 37 -4.906 -15.520 -4.937 274 1HB ARG 37 1HB ARG 37 -6.311 -17.445 -5.566 275 2HB ARG 37 2HB ARG 37 -7.354 -17.127 -4.186 276 1HG ARG 37 1HG ARG 37 -7.953 -14.963 -5.132 277 2HG ARG 37 2HG ARG 37 -6.901 -15.276 -6.512 278 1HD ARG 37 1HD ARG 37 -8.268 -17.295 -7.013 279 2HD ARG 37 2HD ARG 37 -9.371 -16.812 -5.724 280 HE ARG 37 HE ARG 37 -9.192 -14.623 -7.359 281 1HH1 ARG 37 1HH1 ARG 37 -10.103 -17.961 -7.769 282 2HH1 ARG 37 2HH1 ARG 37 -11.217 -17.632 -9.054 283 1HH2 ARG 37 1HH2 ARG 37 -10.655 -14.182 -9.053 284 2HH2 ARG 37 2HH2 ARG 37 -11.529 -15.486 -9.786 285 H ILE 38 H ILE 38 -6.376 -16.278 -1.827 286 HA ILE 38 HA ILE 38 -7.693 -13.752 -1.553 287 HB ILE 38 HB ILE 38 -7.023 -15.812 0.553 288 1HG1 ILE 38 1HG1 ILE 38 -9.613 -15.323 -0.937 289 2HG1 ILE 38 2HG1 ILE 38 -8.484 -16.626 -1.295 290 1HG2 ILE 38 1HG2 ILE 38 -8.859 -13.422 0.613 291 2HG2 ILE 38 2HG2 ILE 38 -7.416 -13.687 1.592 292 3HG2 ILE 38 3HG2 ILE 38 -8.842 -14.695 1.833 293 1HD1 ILE 38 1HD1 ILE 38 -10.354 -17.422 0.025 294 2HD1 ILE 38 2HD1 ILE 38 -9.984 -16.246 1.286 295 3HD1 ILE 38 3HD1 ILE 38 -8.849 -17.549 0.935 296 H ARG 39 H ARG 39 -4.902 -15.197 0.145 297 HA ARG 39 HA ARG 39 -4.154 -12.902 1.551 298 1HB ARG 39 1HB ARG 39 -3.326 -15.211 2.005 299 2HB ARG 39 2HB ARG 39 -2.318 -15.094 0.569 300 1HG ARG 39 1HG ARG 39 -1.133 -13.192 1.570 301 2HG ARG 39 2HG ARG 39 -2.124 -13.353 3.019 302 1HD ARG 39 1HD ARG 39 -0.234 -15.426 1.911 303 2HD ARG 39 2HD ARG 39 0.052 -14.409 3.323 304 HE ARG 39 HE ARG 39 -2.335 -16.010 3.492 305 1HH1 ARG 39 1HH1 ARG 39 1.101 -15.900 4.074 306 2HH1 ARG 39 2HH1 ARG 39 1.067 -17.145 5.277 307 1HH2 ARG 39 1HH2 ARG 39 -2.384 -17.652 5.076 308 2HH2 ARG 39 2HH2 ARG 39 -0.911 -18.143 5.843 309 H GLY 40 H GLY 40 -3.718 -13.739 -1.768 310 1HA GLY 40 1HA GLY 40 -1.499 -11.981 -2.260 311 2HA GLY 40 2HA GLY 40 -2.482 -12.786 -3.473 312 H ALA 41 H ALA 41 -4.892 -11.868 -3.345 313 HA ALA 41 HA ALA 41 -4.887 -9.358 -4.471 314 1HB ALA 41 1HB ALA 41 -7.292 -9.357 -4.191 315 2HB ALA 41 2HB ALA 41 -7.173 -10.626 -2.971 316 3HB ALA 41 3HB ALA 41 -6.737 -10.969 -4.645 317 H ALA 42 H ALA 42 -4.865 -10.215 -1.110 318 HA ALA 42 HA ALA 42 -5.880 -7.858 0.017 319 1HB ALA 42 1HB ALA 42 -4.667 -8.529 2.047 320 2HB ALA 42 2HB ALA 42 -3.800 -9.747 1.112 321 3HB ALA 42 3HB ALA 42 -5.545 -9.876 1.325 322 H ALA 43 H ALA 43 -2.472 -8.800 -0.483 323 HA ALA 43 HA ALA 43 -1.384 -6.283 0.203 324 1HB ALA 43 1HB ALA 43 -0.223 -8.467 -1.517 325 2HB ALA 43 2HB ALA 43 -0.074 -8.327 0.235 326 3HB ALA 43 3HB ALA 43 0.673 -7.121 -0.812 327 H TRP 44 H TRP 44 -2.488 -7.698 -2.812 328 HA TRP 44 HA TRP 44 -1.399 -5.945 -4.660 329 1HB TRP 44 1HB TRP 44 -3.779 -7.720 -4.603 330 2HB TRP 44 2HB TRP 44 -3.703 -6.516 -5.884 331 HD1 TRP 44 HD1 TRP 44 -1.284 -9.185 -4.417 332 HE1 TRP 44 HE1 TRP 44 -0.027 -10.272 -6.382 333 HE3 TRP 44 HE3 TRP 44 -3.313 -6.500 -8.269 334 HZ2 TRP 44 HZ2 TRP 44 0.088 -10.029 -9.190 335 HZ3 TRP 44 HZ3 TRP 44 -2.575 -6.994 -10.565 336 HH2 TRP 44 HH2 TRP 44 -0.910 -8.723 -11.014 337 H ILE 45 H ILE 45 -4.180 -5.530 -2.560 338 HA ILE 45 HA ILE 45 -4.807 -2.966 -3.847 339 HB ILE 45 HB ILE 45 -6.352 -4.450 -1.715 340 1HG1 ILE 45 1HG1 ILE 45 -6.335 -5.685 -3.827 341 2HG1 ILE 45 2HG1 ILE 45 -7.929 -5.005 -3.525 342 1HG2 ILE 45 1HG2 ILE 45 -8.167 -2.891 -2.259 343 2HG2 ILE 45 2HG2 ILE 45 -7.092 -2.040 -3.370 344 3HG2 ILE 45 3HG2 ILE 45 -6.742 -2.056 -1.641 345 1HD1 ILE 45 1HD1 ILE 45 -5.857 -3.940 -5.429 346 2HD1 ILE 45 2HD1 ILE 45 -7.409 -3.176 -5.090 347 3HD1 ILE 45 3HD1 ILE 45 -7.356 -4.766 -5.848 348 H ILE 46 H ILE 46 -3.390 -4.361 -1.061 349 HA ILE 46 HA ILE 46 -3.731 -2.340 0.832 350 HB ILE 46 HB ILE 46 -2.453 -4.797 0.730 351 1HG1 ILE 46 1HG1 ILE 46 -2.213 -4.555 3.117 352 2HG1 ILE 46 2HG1 ILE 46 -2.318 -2.803 2.998 353 1HG2 ILE 46 1HG2 ILE 46 -0.398 -2.721 1.462 354 2HG2 ILE 46 2HG2 ILE 46 -0.379 -3.700 -0.003 355 3HG2 ILE 46 3HG2 ILE 46 -0.215 -4.471 1.573 356 1HD1 ILE 46 1HD1 ILE 46 -4.385 -3.875 3.816 357 2HD1 ILE 46 2HD1 ILE 46 -4.530 -4.711 2.270 358 3HD1 ILE 46 3HD1 ILE 46 -4.625 -2.950 2.333 359 H GLY 47 H GLY 47 -1.470 -2.616 -1.832 360 1HA GLY 47 1HA GLY 47 0.313 -0.578 -0.946 361 2HA GLY 47 2HA GLY 47 0.199 -1.218 -2.577 362 H ASN 48 H ASN 48 -2.759 -0.485 -2.515 363 HA ASN 48 HA ASN 48 -2.447 2.034 -3.795 364 1HB ASN 48 1HB ASN 48 -4.937 0.527 -2.983 365 2HB ASN 48 2HB ASN 48 -4.928 1.977 -3.983 366 1HD2 ASN 48 1HD2 ASN 48 -4.052 -1.391 -3.814 367 2HD2 ASN 48 2HD2 ASN 48 -3.868 -1.632 -5.514 368 H PHE 49 H PHE 49 -2.666 1.272 -0.524 369 HA PHE 49 HA PHE 49 -4.077 3.733 0.172 370 1HB PHE 49 1HB PHE 49 -2.959 1.596 1.990 371 2HB PHE 49 2HB PHE 49 -4.030 2.912 2.457 372 HD1 PHE 49 HD1 PHE 49 -6.336 2.992 1.317 373 HD2 PHE 49 HD2 PHE 49 -3.836 -0.448 1.365 374 HE1 PHE 49 HE1 PHE 49 -8.285 1.571 0.837 375 HE2 PHE 49 HE2 PHE 49 -5.780 -1.873 0.885 376 HZ PHE 49 HZ PHE 49 -8.007 -0.863 0.620 377 H GLN 50 H GLN 50 -0.849 2.443 0.081 378 HA GLN 50 HA GLN 50 1.191 3.328 0.563 379 1HB GLN 50 1HB GLN 50 -0.391 5.873 0.200 380 2HB GLN 50 2HB GLN 50 1.349 5.855 0.456 381 1HG GLN 50 1HG GLN 50 1.456 5.795 -1.769 382 2HG GLN 50 2HG GLN 50 1.112 4.080 -1.556 383 1HE2 GLN 50 1HE2 GLN 50 0.516 5.848 -3.799 384 2HE2 GLN 50 2HE2 GLN 50 -1.195 5.767 -4.030 385 H ASP 51 H ASP 51 -0.596 2.643 2.734 386 HA ASP 51 HA ASP 51 0.194 4.555 4.816 387 1HB ASP 51 1HB ASP 51 -2.218 3.892 4.604 388 2HB ASP 51 2HB ASP 51 -1.750 2.253 5.045 389 H GLU 52 H GLU 52 0.926 3.676 6.894 390 HA GLU 52 HA GLU 52 3.134 1.967 6.588 391 1HB GLU 52 1HB GLU 52 3.227 2.018 9.081 392 2HB GLU 52 2HB GLU 52 3.115 3.610 8.342 393 1HG GLU 52 1HG GLU 52 0.708 3.647 8.824 394 2HG GLU 52 2HG GLU 52 0.856 2.076 9.610 395 H ARG 53 H ARG 53 -0.146 1.384 7.725 396 HA ARG 53 HA ARG 53 0.275 -1.258 8.651 397 1HB ARG 53 1HB ARG 53 -1.681 0.214 9.235 398 2HB ARG 53 2HB ARG 53 -2.313 -0.077 7.620 399 1HG ARG 53 1HG ARG 53 -2.924 -2.217 8.086 400 2HG ARG 53 2HG ARG 53 -1.652 -2.438 9.292 401 1HD ARG 53 1HD ARG 53 -4.184 -0.829 9.616 402 2HD ARG 53 2HD ARG 53 -3.826 -2.384 10.365 403 HE ARG 53 HE ARG 53 -1.812 -0.607 11.103 404 1HH1 ARG 53 1HH1 ARG 53 -5.240 -1.024 11.575 405 2HH1 ARG 53 2HH1 ARG 53 -5.252 -0.242 13.121 406 1HH2 ARG 53 1HH2 ARG 53 -1.820 0.427 13.136 407 2HH2 ARG 53 2HH2 ARG 53 -3.309 0.585 14.007 408 H ALA 54 H ALA 54 0.404 0.004 5.580 409 HA ALA 54 HA ALA 54 -0.510 -2.475 4.290 410 1HB ALA 54 1HB ALA 54 -0.392 -1.117 2.192 411 2HB ALA 54 2HB ALA 54 -0.025 0.287 3.192 412 3HB ALA 54 3HB ALA 54 -1.570 -0.543 3.371 413 H VAL 55 H VAL 55 2.239 -0.906 5.344 414 HA VAL 55 HA VAL 55 4.028 -1.774 3.247 415 HB VAL 55 HB VAL 55 4.622 -0.623 5.979 416 1HG1 VAL 55 1HG1 VAL 55 6.397 -1.036 3.583 417 2HG1 VAL 55 2HG1 VAL 55 6.508 -1.869 5.134 418 3HG1 VAL 55 3HG1 VAL 55 6.842 -0.141 5.035 419 1HG2 VAL 55 1HG2 VAL 55 3.337 0.879 4.494 420 2HG2 VAL 55 2HG2 VAL 55 4.612 0.735 3.286 421 3HG2 VAL 55 3HG2 VAL 55 4.954 1.483 4.846 422 H GLU 56 H GLU 56 3.064 -2.841 6.461 423 HA GLU 56 HA GLU 56 5.115 -4.697 6.906 424 1HB GLU 56 1HB GLU 56 3.474 -3.895 8.620 425 2HB GLU 56 2HB GLU 56 2.273 -4.952 7.890 426 1HG GLU 56 1HG GLU 56 3.852 -6.859 8.308 427 2HG GLU 56 2HG GLU 56 4.827 -5.739 9.258 428 HA PRO 57 HA PRO 57 1.976 -8.034 5.011 429 1HB PRO 57 1HB PRO 57 0.864 -6.226 2.931 430 2HB PRO 57 2HB PRO 57 0.102 -7.565 3.795 431 1HG PRO 57 1HG PRO 57 -0.475 -5.045 4.428 432 2HG PRO 57 2HG PRO 57 -0.316 -6.286 5.685 433 1HD PRO 57 1HD PRO 57 1.585 -4.124 4.903 434 2HD PRO 57 2HD PRO 57 1.234 -4.795 6.507 435 H LEU 58 H LEU 58 3.405 -5.402 3.148 436 HA LEU 58 HA LEU 58 4.138 -7.034 0.933 437 1HB LEU 58 1HB LEU 58 5.525 -4.472 1.625 438 2HB LEU 58 2HB LEU 58 5.166 -5.138 0.044 439 HG LEU 58 HG LEU 58 3.148 -3.956 1.947 440 1HD1 LEU 58 1HD1 LEU 58 4.268 -2.897 -0.639 441 2HD1 LEU 58 2HD1 LEU 58 4.597 -2.267 0.976 442 3HD1 LEU 58 3HD1 LEU 58 2.970 -2.162 0.302 443 1HD2 LEU 58 1HD2 LEU 58 2.837 -5.071 -0.832 444 2HD2 LEU 58 2HD2 LEU 58 1.609 -4.133 0.015 445 3HD2 LEU 58 3HD2 LEU 58 2.118 -5.698 0.651 446 H ILE 59 H ILE 59 5.606 -6.268 3.981 447 HA ILE 59 HA ILE 59 8.286 -6.838 3.367 448 HB ILE 59 HB ILE 59 6.776 -7.037 5.967 449 1HG1 ILE 59 1HG1 ILE 59 7.000 -4.779 5.005 450 2HG1 ILE 59 2HG1 ILE 59 7.914 -4.942 6.500 451 1HG2 ILE 59 1HG2 ILE 59 9.745 -7.285 5.507 452 2HG2 ILE 59 2HG2 ILE 59 8.661 -8.547 6.094 453 3HG2 ILE 59 3HG2 ILE 59 8.968 -7.117 7.082 454 1HD1 ILE 59 1HD1 ILE 59 9.966 -5.245 5.179 455 2HD1 ILE 59 2HD1 ILE 59 9.184 -3.693 4.882 456 3HD1 ILE 59 3HD1 ILE 59 9.028 -4.999 3.706 457 H LYS 60 H LYS 60 5.916 -8.948 5.023 458 HA LYS 60 HA LYS 60 7.617 -11.229 4.936 459 1HB LYS 60 1HB LYS 60 5.637 -12.457 5.730 460 2HB LYS 60 2HB LYS 60 5.922 -10.989 6.654 461 1HG LYS 60 1HG LYS 60 3.933 -10.152 6.118 462 2HG LYS 60 2HG LYS 60 4.150 -10.528 4.407 463 1HD LYS 60 1HD LYS 60 2.245 -11.743 5.195 464 2HD LYS 60 2HD LYS 60 3.556 -12.895 4.929 465 1HE LYS 60 1HE LYS 60 4.054 -12.910 7.308 466 2HE LYS 60 2HE LYS 60 2.802 -11.702 7.596 467 1HZ LYS 60 1HZ LYS 60 1.148 -13.286 6.830 468 2HZ LYS 60 2HZ LYS 60 2.027 -13.926 8.125 469 3HZ LYS 60 3HZ LYS 60 2.348 -14.444 6.547 470 H LEU 61 H LEU 61 5.889 -9.785 2.478 471 HA LEU 61 HA LEU 61 5.097 -12.253 1.160 472 1HB LEU 61 1HB LEU 61 4.516 -9.398 0.872 473 2HB LEU 61 2HB LEU 61 4.609 -10.280 -0.641 474 HG LEU 61 HG LEU 61 2.819 -11.679 -0.070 475 1HD1 LEU 61 1HD1 LEU 61 3.109 -10.660 2.749 476 2HD1 LEU 61 2HD1 LEU 61 3.388 -12.303 2.171 477 3HD1 LEU 61 3HD1 LEU 61 1.755 -11.637 2.184 478 1HD2 LEU 61 1HD2 LEU 61 2.134 -8.976 1.051 479 2HD2 LEU 61 2HD2 LEU 61 1.011 -10.159 0.379 480 3HD2 LEU 61 3HD2 LEU 61 2.200 -9.377 -0.664 481 H LEU 62 H LEU 62 7.475 -9.678 0.657 482 HA LEU 62 HA LEU 62 8.306 -10.449 -1.910 483 1HB LEU 62 1HB LEU 62 10.000 -9.207 0.255 484 2HB LEU 62 2HB LEU 62 10.281 -9.135 -1.475 485 HG LEU 62 HG LEU 62 7.704 -8.053 -0.463 486 1HD1 LEU 62 1HD1 LEU 62 10.292 -6.516 -0.245 487 2HD1 LEU 62 2HD1 LEU 62 9.437 -7.229 1.123 488 3HD1 LEU 62 3HD1 LEU 62 8.673 -5.954 0.175 489 1HD2 LEU 62 1HD2 LEU 62 8.137 -8.065 -2.839 490 2HD2 LEU 62 2HD2 LEU 62 9.673 -7.233 -2.600 491 3HD2 LEU 62 3HD2 LEU 62 8.158 -6.403 -2.251 492 H GLU 63 H GLU 63 8.631 -11.944 1.082 493 HA GLU 63 HA GLU 63 10.903 -13.586 0.202 494 1HB GLU 63 1HB GLU 63 9.605 -13.670 2.904 495 2HB GLU 63 2HB GLU 63 11.226 -14.168 2.458 496 1HG GLU 63 1HG GLU 63 11.838 -11.822 2.081 497 2HG GLU 63 2HG GLU 63 10.220 -11.338 2.592 498 H ASP 64 H ASP 64 7.528 -13.551 0.945 499 HA ASP 64 HA ASP 64 7.058 -16.280 1.330 500 1HB ASP 64 1HB ASP 64 5.433 -14.395 1.754 501 2HB ASP 64 2HB ASP 64 5.166 -14.321 0.015 502 H ASP 65 H ASP 65 6.737 -17.936 -0.030 503 HA ASP 65 HA ASP 65 7.256 -17.420 -2.885 504 1HB ASP 65 1HB ASP 65 7.755 -19.904 -1.242 505 2HB ASP 65 2HB ASP 65 8.019 -19.787 -2.978 506 H SER 66 H SER 66 4.604 -17.130 -1.908 507 HA SER 66 HA SER 66 3.220 -19.598 -2.580 508 1HB SER 66 1HB SER 66 2.186 -16.884 -1.756 509 2HB SER 66 2HB SER 66 1.164 -18.286 -2.064 510 HG SER 66 HG SER 66 2.602 -19.332 -0.416 511 H GLY 67 H GLY 67 3.961 -16.511 -4.024 512 1HA GLY 67 1HA GLY 67 4.060 -16.490 -6.480 513 2HA GLY 67 2HA GLY 67 2.548 -17.389 -6.470 514 H PHE 68 H PHE 68 0.599 -16.301 -6.077 515 HA PHE 68 HA PHE 68 0.413 -13.658 -6.976 516 1HB PHE 68 1HB PHE 68 -1.400 -15.591 -6.582 517 2HB PHE 68 2HB PHE 68 -1.671 -14.681 -5.103 518 HD1 PHE 68 HD1 PHE 68 -1.780 -11.980 -5.611 519 HD2 PHE 68 HD2 PHE 68 -2.803 -15.127 -8.299 520 HE1 PHE 68 HE1 PHE 68 -3.259 -10.452 -6.845 521 HE2 PHE 68 HE2 PHE 68 -4.272 -13.594 -9.537 522 HZ PHE 68 HZ PHE 68 -4.501 -11.255 -8.811 523 H VAL 69 H VAL 69 0.862 -15.035 -3.823 524 HA VAL 69 HA VAL 69 0.318 -12.729 -2.275 525 HB VAL 69 HB VAL 69 2.097 -15.041 -1.532 526 1HG1 VAL 69 1HG1 VAL 69 1.174 -14.478 0.770 527 2HG1 VAL 69 2HG1 VAL 69 0.651 -12.951 0.059 528 3HG1 VAL 69 3HG1 VAL 69 2.363 -13.372 0.087 529 1HG2 VAL 69 1HG2 VAL 69 -0.883 -14.785 -1.153 530 2HG2 VAL 69 2HG2 VAL 69 0.131 -16.126 -0.622 531 3HG2 VAL 69 3HG2 VAL 69 -0.093 -15.819 -2.343 532 H ARG 70 H ARG 70 3.363 -14.221 -3.339 533 HA ARG 70 HA ARG 70 5.100 -12.318 -2.247 534 1HB ARG 70 1HB ARG 70 5.756 -14.560 -3.101 535 2HB ARG 70 2HB ARG 70 5.517 -13.974 -4.737 536 1HG ARG 70 1HG ARG 70 7.257 -12.245 -4.295 537 2HG ARG 70 2HG ARG 70 7.572 -13.039 -2.753 538 1HD ARG 70 1HD ARG 70 9.157 -13.778 -4.451 539 2HD ARG 70 2HD ARG 70 8.126 -15.110 -3.931 540 HE ARG 70 HE ARG 70 7.060 -13.827 -6.229 541 1HH1 ARG 70 1HH1 ARG 70 9.548 -16.043 -5.208 542 2HH1 ARG 70 2HH1 ARG 70 9.627 -16.859 -6.734 543 1HH2 ARG 70 1HH2 ARG 70 7.167 -14.888 -8.245 544 2HH2 ARG 70 2HH2 ARG 70 8.278 -16.200 -8.460 545 H SER 71 H SER 71 4.071 -12.653 -5.631 546 HA SER 71 HA SER 71 5.257 -10.418 -6.703 547 1HB SER 71 1HB SER 71 2.585 -11.634 -7.439 548 2HB SER 71 2HB SER 71 3.500 -10.512 -8.449 549 HG SER 71 HG SER 71 3.801 -13.175 -8.154 550 H GLY 72 H GLY 72 2.429 -10.579 -4.681 551 1HA GLY 72 1HA GLY 72 1.185 -8.165 -5.306 552 2HA GLY 72 2HA GLY 72 1.155 -8.926 -3.722 553 H ALA 73 H ALA 73 3.549 -8.743 -2.715 554 HA ALA 73 HA ALA 73 3.847 -6.083 -1.933 555 1HB ALA 73 1HB ALA 73 4.592 -7.971 -0.588 556 2HB ALA 73 2HB ALA 73 5.903 -6.821 -0.845 557 3HB ALA 73 3HB ALA 73 5.854 -8.323 -1.768 558 H ALA 74 H ALA 74 5.541 -7.945 -4.406 559 HA ALA 74 HA ALA 74 7.686 -6.281 -4.918 560 1HB ALA 74 1HB ALA 74 7.840 -7.321 -7.068 561 2HB ALA 74 2HB ALA 74 6.147 -7.814 -7.003 562 3HB ALA 74 3HB ALA 74 7.318 -8.531 -5.894 563 H ARG 75 H ARG 75 4.402 -6.079 -6.264 564 HA ARG 75 HA ARG 75 5.088 -3.742 -7.824 565 1HB ARG 75 1HB ARG 75 2.631 -3.785 -8.406 566 2HB ARG 75 2HB ARG 75 3.550 -5.211 -8.866 567 1HG ARG 75 1HG ARG 75 2.661 -6.455 -7.022 568 2HG ARG 75 2HG ARG 75 1.872 -5.014 -6.376 569 1HD ARG 75 1HD ARG 75 0.355 -6.577 -7.614 570 2HD ARG 75 2HD ARG 75 0.365 -4.918 -8.217 571 HE ARG 75 HE ARG 75 2.002 -6.990 -9.511 572 1HH1 ARG 75 1HH1 ARG 75 -0.525 -4.593 -9.640 573 2HH1 ARG 75 2HH1 ARG 75 -0.670 -4.652 -11.365 574 1HH2 ARG 75 1HH2 ARG 75 1.819 -7.074 -11.781 575 2HH2 ARG 75 2HH2 ARG 75 0.667 -6.059 -12.583 576 H SER 76 H SER 76 3.362 -4.463 -4.851 577 HA SER 76 HA SER 76 2.112 -1.967 -4.509 578 1HB SER 76 1HB SER 76 2.983 -3.995 -2.447 579 2HB SER 76 2HB SER 76 1.908 -2.634 -2.128 580 HG SER 76 HG SER 76 1.191 -4.983 -2.929 581 H LEU 77 H LEU 77 5.330 -3.098 -3.622 582 HA LEU 77 HA LEU 77 6.029 -0.963 -1.934 583 1HB LEU 77 1HB LEU 77 7.720 -2.742 -3.680 584 2HB LEU 77 2HB LEU 77 8.404 -1.549 -2.596 585 HG LEU 77 HG LEU 77 6.824 -4.004 -1.836 586 1HD1 LEU 77 1HD1 LEU 77 9.682 -3.154 -1.614 587 2HD1 LEU 77 2HD1 LEU 77 9.011 -4.655 -2.254 588 3HD1 LEU 77 3HD1 LEU 77 8.998 -4.351 -0.516 589 1HD2 LEU 77 1HD2 LEU 77 7.177 -3.343 0.489 590 2HD2 LEU 77 2HD2 LEU 77 6.178 -2.171 -0.364 591 3HD2 LEU 77 3HD2 LEU 77 7.874 -1.817 -0.047 592 H GLU 78 H GLU 78 7.027 -1.409 -5.345 593 HA GLU 78 HA GLU 78 7.991 1.203 -5.663 594 1HB GLU 78 1HB GLU 78 8.506 -0.704 -7.184 595 2HB GLU 78 2HB GLU 78 6.871 -0.596 -7.821 596 1HG GLU 78 1HG GLU 78 7.347 1.707 -8.564 597 2HG GLU 78 2HG GLU 78 9.006 1.518 -7.998 598 H GLN 79 H GLN 79 4.819 -0.030 -5.561 599 HA GLN 79 HA GLN 79 3.429 1.846 -7.131 600 1HB GLN 79 1HB GLN 79 2.566 -0.330 -6.145 601 2HB GLN 79 2HB GLN 79 2.409 0.520 -4.619 602 1HG GLN 79 1HG GLN 79 0.823 2.066 -5.643 603 2HG GLN 79 2HG GLN 79 0.986 1.209 -7.179 604 1HE2 GLN 79 1HE2 GLN 79 1.235 -1.374 -5.799 605 2HE2 GLN 79 2HE2 GLN 79 -0.360 -1.800 -5.298 606 H ILE 80 H ILE 80 4.862 2.028 -3.993 607 HA ILE 80 HA ILE 80 3.421 4.451 -3.264 608 HB ILE 80 HB ILE 80 5.732 3.446 -1.674 609 1HG1 ILE 80 1HG1 ILE 80 4.532 1.388 -2.219 610 2HG1 ILE 80 2HG1 ILE 80 4.291 1.804 -0.527 611 1HG2 ILE 80 1HG2 ILE 80 3.048 4.357 -0.702 612 2HG2 ILE 80 2HG2 ILE 80 4.309 5.498 -1.163 613 3HG2 ILE 80 3HG2 ILE 80 4.592 4.356 0.151 614 1HD1 ILE 80 1HD1 ILE 80 2.329 2.244 -2.766 615 2HD1 ILE 80 2HD1 ILE 80 2.084 2.709 -1.083 616 3HD1 ILE 80 3HD1 ILE 80 2.238 1.007 -1.513 617 H GLY 81 H GLY 81 6.849 3.496 -3.484 618 1HA GLY 81 1HA GLY 81 8.692 4.645 -4.226 619 2HA GLY 81 2HA GLY 81 7.594 5.758 -5.031 620 H GLY 82 H GLY 82 9.600 5.198 -2.294 621 1HA GLY 82 1HA GLY 82 9.979 7.848 -1.641 622 2HA GLY 82 2HA GLY 82 8.620 7.324 -0.659 623 H GLU 83 H GLU 83 10.382 8.041 0.955 624 HA GLU 83 HA GLU 83 12.563 6.273 1.421 625 1HB GLU 83 1HB GLU 83 12.425 8.672 2.180 626 2HB GLU 83 2HB GLU 83 11.278 8.153 3.407 627 1HG GLU 83 1HG GLU 83 12.980 6.685 4.374 628 2HG GLU 83 2HG GLU 83 14.128 7.218 3.146 629 H ARG 84 H ARG 84 9.216 6.247 2.270 630 HA ARG 84 HA ARG 84 9.325 4.616 4.554 631 1HB ARG 84 1HB ARG 84 6.973 4.199 4.226 632 2HB ARG 84 2HB ARG 84 7.306 5.883 3.863 633 1HG ARG 84 1HG ARG 84 6.999 3.730 1.778 634 2HG ARG 84 2HG ARG 84 5.700 4.797 2.311 635 1HD ARG 84 1HD ARG 84 8.267 5.585 0.944 636 2HD ARG 84 2HD ARG 84 6.635 5.671 0.280 637 HE ARG 84 HE ARG 84 7.284 7.248 2.663 638 1HH1 ARG 84 1HH1 ARG 84 6.485 7.106 -0.727 639 2HH1 ARG 84 2HH1 ARG 84 6.141 8.799 -0.849 640 1HH2 ARG 84 1HH2 ARG 84 6.837 9.475 2.512 641 2HH2 ARG 84 2HH2 ARG 84 6.341 10.147 0.995 642 H VAL 85 H VAL 85 8.752 3.741 1.149 643 HA VAL 85 HA VAL 85 8.825 0.943 1.657 644 HB VAL 85 HB VAL 85 9.133 2.476 -0.930 645 1HG1 VAL 85 1HG1 VAL 85 10.137 0.309 -1.208 646 2HG1 VAL 85 2HG1 VAL 85 8.566 0.309 -2.008 647 3HG1 VAL 85 3HG1 VAL 85 8.758 -0.474 -0.441 648 1HG2 VAL 85 1HG2 VAL 85 6.780 1.086 0.342 649 2HG2 VAL 85 2HG2 VAL 85 6.796 1.750 -1.292 650 3HG2 VAL 85 3HG2 VAL 85 6.980 2.821 0.098 651 H ARG 86 H ARG 86 11.210 3.367 1.093 652 HA ARG 86 HA ARG 86 13.320 1.913 0.029 653 1HB ARG 86 1HB ARG 86 13.255 4.389 0.417 654 2HB ARG 86 2HB ARG 86 13.552 4.083 2.122 655 1HG ARG 86 1HG ARG 86 15.451 2.898 0.184 656 2HG ARG 86 2HG ARG 86 15.494 4.648 0.401 657 1HD ARG 86 1HD ARG 86 15.736 2.587 2.592 658 2HD ARG 86 2HD ARG 86 17.064 3.513 1.897 659 HE ARG 86 HE ARG 86 14.838 4.921 3.185 660 1HH1 ARG 86 1HH1 ARG 86 18.207 4.033 3.103 661 2HH1 ARG 86 2HH1 ARG 86 18.675 5.197 4.297 662 1HH2 ARG 86 1HH2 ARG 86 15.447 6.459 4.751 663 2HH2 ARG 86 2HH2 ARG 86 17.106 6.575 5.235 664 H ALA 87 H ALA 87 11.968 1.869 3.219 665 HA ALA 87 HA ALA 87 14.204 0.436 4.379 666 1HB ALA 87 1HB ALA 87 11.498 1.089 5.546 667 2HB ALA 87 2HB ALA 87 12.962 2.053 5.739 668 3HB ALA 87 3HB ALA 87 12.877 0.431 6.426 669 H ALA 88 H ALA 88 11.071 -0.207 3.001 670 HA ALA 88 HA ALA 88 10.800 -2.868 3.979 671 1HB ALA 88 1HB ALA 88 9.505 -1.598 1.566 672 2HB ALA 88 2HB ALA 88 8.877 -1.526 3.213 673 3HB ALA 88 3HB ALA 88 8.986 -3.076 2.377 674 H MET 89 H MET 89 12.115 -1.406 1.056 675 HA MET 89 HA MET 89 12.584 -3.854 -0.294 676 1HB MET 89 1HB MET 89 13.689 -2.589 -1.924 677 2HB MET 89 2HB MET 89 12.484 -1.489 -1.289 678 1HG MET 89 1HG MET 89 14.380 -0.188 -1.487 679 2HG MET 89 2HG MET 89 14.353 -0.615 0.222 680 1HE MET 89 1HE MET 89 16.828 0.219 0.338 681 2HE MET 89 2HE MET 89 17.008 0.495 -1.394 682 3HE MET 89 3HE MET 89 18.181 -0.501 -0.534 683 H GLU 90 H GLU 90 14.365 -1.933 2.013 684 HA GLU 90 HA GLU 90 16.875 -3.189 1.733 685 1HB GLU 90 1HB GLU 90 15.561 -1.656 3.963 686 2HB GLU 90 2HB GLU 90 17.143 -2.390 4.179 687 1HG GLU 90 1HG GLU 90 18.029 -1.079 2.340 688 2HG GLU 90 2HG GLU 90 16.437 -0.373 2.062 689 H LYS 91 H LYS 91 14.075 -3.842 3.793 690 HA LYS 91 HA LYS 91 15.194 -5.895 5.328 691 1HB LYS 91 1HB LYS 91 12.381 -5.233 4.522 692 2HB LYS 91 2HB LYS 91 12.720 -6.699 5.432 693 1HG LYS 91 1HG LYS 91 13.477 -3.921 6.317 694 2HG LYS 91 2HG LYS 91 12.041 -4.799 6.853 695 1HD LYS 91 1HD LYS 91 13.475 -6.568 7.767 696 2HD LYS 91 2HD LYS 91 14.904 -5.677 7.242 697 1HE LYS 91 1HE LYS 91 12.847 -4.643 9.191 698 2HE LYS 91 2HE LYS 91 14.382 -5.381 9.648 699 1HZ LYS 91 1HZ LYS 91 14.043 -2.894 8.060 700 2HZ LYS 91 2HZ LYS 91 15.527 -3.611 8.438 701 3HZ LYS 91 3HZ LYS 91 14.552 -2.988 9.672 702 H LEU 92 H LEU 92 13.701 -5.997 2.121 703 HA LEU 92 HA LEU 92 13.982 -8.881 2.011 704 1HB LEU 92 1HB LEU 92 12.156 -8.513 0.763 705 2HB LEU 92 2HB LEU 92 12.556 -6.819 0.521 706 HG LEU 92 HG LEU 92 14.274 -7.729 -1.207 707 1HD1 LEU 92 1HD1 LEU 92 13.629 -9.809 -2.262 708 2HD1 LEU 92 2HD1 LEU 92 12.317 -10.021 -1.104 709 3HD1 LEU 92 3HD1 LEU 92 13.992 -10.088 -0.559 710 1HD2 LEU 92 1HD2 LEU 92 12.749 -7.315 -2.906 711 2HD2 LEU 92 2HD2 LEU 92 12.058 -6.452 -1.533 712 3HD2 LEU 92 3HD2 LEU 92 11.405 -8.018 -2.010 713 H ALA 93 H ALA 93 15.722 -6.045 1.143 714 HA ALA 93 HA ALA 93 17.357 -7.166 -0.906 715 1HB ALA 93 1HB ALA 93 17.096 -4.779 -0.786 716 2HB ALA 93 2HB ALA 93 18.793 -5.177 -0.513 717 3HB ALA 93 3HB ALA 93 17.757 -4.746 0.849 718 H GLU 94 H GLU 94 17.338 -7.323 2.523 719 HA GLU 94 HA GLU 94 20.124 -8.013 2.817 720 1HB GLU 94 1HB GLU 94 18.298 -7.016 4.543 721 2HB GLU 94 2HB GLU 94 18.190 -8.723 4.949 722 1HG GLU 94 1HG GLU 94 20.653 -6.998 5.032 723 2HG GLU 94 2HG GLU 94 19.760 -7.646 6.407 724 H THR 95 H THR 95 17.121 -9.600 2.247 725 HA THR 95 HA THR 95 18.459 -12.228 2.374 726 HB THR 95 HB THR 95 16.248 -13.234 2.771 727 HG1 THR 95 HG1 THR 95 14.775 -11.847 1.952 728 1HG2 THR 95 1HG2 THR 95 16.936 -11.044 4.735 729 2HG2 THR 95 2HG2 THR 95 17.595 -12.680 4.720 730 3HG2 THR 95 3HG2 THR 95 15.887 -12.420 5.072 731 H GLY 96 H GLY 96 18.199 -10.144 0.258 732 1HA GLY 96 1HA GLY 96 16.338 -10.745 -1.697 733 2HA GLY 96 2HA GLY 96 17.925 -10.060 -2.007 734 H THR 97 H THR 97 15.946 -12.424 -2.879 735 HA THR 97 HA THR 97 18.132 -14.047 -3.921 736 HB THR 97 HB THR 97 17.575 -15.302 -1.954 737 HG1 THR 97 HG1 THR 97 17.288 -17.180 -2.981 738 1HG2 THR 97 1HG2 THR 97 15.357 -14.303 -1.534 739 2HG2 THR 97 2HG2 THR 97 15.323 -16.063 -1.443 740 3HG2 THR 97 3HG2 THR 97 14.698 -15.241 -2.873 741 H GLY 98 H GLY 98 17.805 -14.566 -5.994 742 1HA GLY 98 1HA GLY 98 16.803 -14.724 -8.050 743 2HA GLY 98 2HA GLY 98 15.388 -15.299 -7.183 744 H PHE 99 H PHE 99 13.784 -14.255 -8.229 745 HA PHE 99 HA PHE 99 13.878 -11.640 -9.237 746 1HB PHE 99 1HB PHE 99 12.201 -13.091 -10.082 747 2HB PHE 99 2HB PHE 99 11.591 -13.448 -8.471 748 HD1 PHE 99 HD1 PHE 99 9.875 -12.172 -7.521 749 HD2 PHE 99 HD2 PHE 99 11.849 -10.773 -11.025 750 HE1 PHE 99 HE1 PHE 99 8.182 -10.407 -7.766 751 HE2 PHE 99 HE2 PHE 99 10.159 -9.003 -11.274 752 HZ PHE 99 HZ PHE 99 8.321 -8.819 -9.644 753 H ALA 100 H ALA 100 13.100 -12.876 -6.070 754 HA ALA 100 HA ALA 100 11.709 -10.757 -4.960 755 1HB ALA 100 1HB ALA 100 13.757 -12.434 -3.525 756 2HB ALA 100 2HB ALA 100 12.116 -12.963 -3.892 757 3HB ALA 100 3HB ALA 100 12.380 -11.590 -2.817 758 H ARG 101 H ARG 101 15.217 -11.167 -5.275 759 HA ARG 101 HA ARG 101 15.916 -8.879 -3.765 760 1HB ARG 101 1HB ARG 101 17.490 -10.698 -4.213 761 2HB ARG 101 2HB ARG 101 17.461 -10.295 -5.924 762 1HG ARG 101 1HG ARG 101 18.777 -8.460 -5.664 763 2HG ARG 101 2HG ARG 101 18.199 -8.141 -4.029 764 1HD ARG 101 1HD ARG 101 19.511 -9.995 -3.176 765 2HD ARG 101 2HD ARG 101 20.045 -10.395 -4.810 766 HE ARG 101 HE ARG 101 20.789 -7.780 -4.419 767 1HH1 ARG 101 1HH1 ARG 101 21.426 -10.825 -2.846 768 2HH1 ARG 101 2HH1 ARG 101 23.005 -10.362 -2.306 769 1HH2 ARG 101 1HH2 ARG 101 22.866 -7.162 -3.708 770 2HH2 ARG 101 2HH2 ARG 101 23.821 -8.280 -2.791 771 H LYS 102 H LYS 102 16.006 -9.371 -7.306 772 HA LYS 102 HA LYS 102 16.709 -6.866 -8.127 773 1HB LYS 102 1HB LYS 102 16.406 -8.686 -9.698 774 2HB LYS 102 2HB LYS 102 14.676 -8.713 -9.389 775 1HG LYS 102 1HG LYS 102 14.458 -6.488 -10.364 776 2HG LYS 102 2HG LYS 102 16.197 -6.446 -10.661 777 1HD LYS 102 1HD LYS 102 14.530 -8.678 -11.757 778 2HD LYS 102 2HD LYS 102 14.586 -7.120 -12.583 779 1HE LYS 102 1HE LYS 102 16.246 -8.511 -13.574 780 2HE LYS 102 2HE LYS 102 17.081 -7.310 -12.590 781 1HZ LYS 102 1HZ LYS 102 17.961 -9.592 -12.349 782 2HZ LYS 102 2HZ LYS 102 16.482 -10.073 -11.685 783 3HZ LYS 102 3HZ LYS 102 17.434 -8.926 -10.887 784 H VAL 103 H VAL 103 13.656 -7.886 -6.831 785 HA VAL 103 HA VAL 103 12.027 -5.754 -7.620 786 HB VAL 103 HB VAL 103 11.982 -7.631 -5.279 787 1HG1 VAL 103 1HG1 VAL 103 10.032 -5.388 -5.819 788 2HG1 VAL 103 2HG1 VAL 103 11.030 -5.610 -4.381 789 3HG1 VAL 103 3HG1 VAL 103 9.719 -6.738 -4.726 790 1HG2 VAL 103 1HG2 VAL 103 11.373 -8.518 -7.458 791 2HG2 VAL 103 2HG2 VAL 103 10.162 -7.251 -7.655 792 3HG2 VAL 103 3HG2 VAL 103 9.967 -8.470 -6.395 793 H ALA 104 H ALA 104 13.735 -6.205 -4.525 794 HA ALA 104 HA ALA 104 13.139 -3.670 -3.468 795 1HB ALA 104 1HB ALA 104 15.317 -5.641 -2.836 796 2HB ALA 104 2HB ALA 104 13.788 -5.402 -1.991 797 3HB ALA 104 3HB ALA 104 15.040 -4.165 -1.912 798 H VAL 105 H VAL 105 16.136 -4.869 -4.930 799 HA VAL 105 HA VAL 105 17.608 -2.502 -4.746 800 HB VAL 105 HB VAL 105 17.979 -4.597 -6.876 801 1HG1 VAL 105 1HG1 VAL 105 20.341 -3.975 -6.680 802 2HG1 VAL 105 2HG1 VAL 105 19.916 -2.752 -5.483 803 3HG1 VAL 105 3HG1 VAL 105 19.339 -2.600 -7.143 804 1HG2 VAL 105 1HG2 VAL 105 18.830 -4.632 -3.984 805 2HG2 VAL 105 2HG2 VAL 105 19.490 -5.701 -5.221 806 3HG2 VAL 105 3HG2 VAL 105 17.778 -5.784 -4.808 807 H ASN 106 H ASN 106 16.173 -3.877 -7.721 808 HA ASN 106 HA ASN 106 16.749 -1.728 -9.382 809 1HB ASN 106 1HB ASN 106 15.885 -4.070 -9.981 810 2HB ASN 106 2HB ASN 106 14.276 -3.405 -9.721 811 1HD2 ASN 106 1HD2 ASN 106 15.445 -4.446 -12.148 812 2HD2 ASN 106 2HD2 ASN 106 15.392 -3.166 -13.307 813 H TYR 107 H TYR 107 14.155 -2.080 -7.073 814 HA TYR 107 HA TYR 107 12.359 -0.200 -8.113 815 1HB TYR 107 1HB TYR 107 11.409 -1.434 -6.421 816 2HB TYR 107 2HB TYR 107 12.864 -1.404 -5.435 817 HD1 TYR 107 HD1 TYR 107 12.710 -0.274 -3.486 818 HD2 TYR 107 HD2 TYR 107 10.396 1.092 -6.774 819 HE1 TYR 107 HE1 TYR 107 11.786 1.514 -2.077 820 HE2 TYR 107 HE2 TYR 107 9.456 2.884 -5.378 821 HH TYR 107 HH TYR 107 10.756 3.756 -2.392 822 H LEU 108 H LEU 108 15.285 0.139 -6.249 823 HA LEU 108 HA LEU 108 15.039 2.739 -5.316 824 1HB LEU 108 1HB LEU 108 17.406 1.103 -6.167 825 2HB LEU 108 2HB LEU 108 17.600 2.742 -5.593 826 HG LEU 108 HG LEU 108 16.390 0.472 -4.016 827 1HD1 LEU 108 1HD1 LEU 108 19.013 1.892 -3.596 828 2HD1 LEU 108 2HD1 LEU 108 18.852 0.346 -4.430 829 3HD1 LEU 108 3HD1 LEU 108 18.400 0.482 -2.731 830 1HD2 LEU 108 1HD2 LEU 108 15.409 2.628 -3.425 831 2HD2 LEU 108 2HD2 LEU 108 17.020 3.312 -3.208 832 3HD2 LEU 108 3HD2 LEU 108 16.451 2.035 -2.133 833 H GLU 109 H GLU 109 15.514 1.612 -8.543 834 HA GLU 109 HA GLU 109 16.565 4.086 -9.566 835 1HB GLU 109 1HB GLU 109 15.591 1.541 -10.829 836 2HB GLU 109 2HB GLU 109 15.969 2.951 -11.808 837 1HG GLU 109 1HG GLU 109 17.844 1.411 -11.716 838 2HG GLU 109 2HG GLU 109 18.247 2.952 -10.961 839 H THR 110 H THR 110 13.679 3.547 -8.308 840 HA THR 110 HA THR 110 12.303 5.289 -10.245 841 HB THR 110 HB THR 110 11.040 3.075 -8.622 842 HG1 THR 110 HG1 THR 110 11.300 1.901 -10.360 843 1HG2 THR 110 1HG2 THR 110 8.986 3.624 -9.837 844 2HG2 THR 110 2HG2 THR 110 9.810 4.968 -10.628 845 3HG2 THR 110 3HG2 THR 110 9.546 4.999 -8.885 846 H HIS 111 H HIS 111 11.444 4.048 -7.034 847 HA HIS 111 HA HIS 111 10.555 5.091 -5.222 848 1HB HIS 111 1HB HIS 111 12.058 6.756 -4.174 849 2HB HIS 111 2HB HIS 111 12.906 5.316 -4.719 850 HD1 HIS 111 HD1 HIS 111 14.302 5.629 -7.007 851 HD2 HIS 111 HD2 HIS 111 13.064 9.112 -5.110 852 HE1 HIS 111 HE1 HIS 111 15.707 7.466 -7.992 853 HE2 HIS 111 HE2 HIS 111 14.917 9.571 -6.856 Start of MODEL 25 1 H MET 1 H MET 1 -21.080 10.564 2.746 2 HA MET 1 HA MET 1 -22.975 11.633 3.794 3 1HB MET 1 1HB MET 1 -23.935 13.620 2.522 4 2HB MET 1 2HB MET 1 -22.523 13.932 3.521 5 1HG MET 1 1HG MET 1 -22.230 15.103 1.486 6 2HG MET 1 2HG MET 1 -21.120 13.736 1.469 7 1HE MET 1 1HE MET 1 -24.512 15.176 0.117 8 2HE MET 1 2HE MET 1 -25.011 13.649 0.845 9 3HE MET 1 3HE MET 1 -25.079 13.855 -0.905 10 H ALA 2 H ALA 2 -21.906 10.128 1.170 11 HA ALA 2 HA ALA 2 -24.014 10.148 -0.674 12 1HB ALA 2 1HB ALA 2 -23.108 8.035 -1.488 13 2HB ALA 2 2HB ALA 2 -22.128 7.885 -0.030 14 3HB ALA 2 3HB ALA 2 -21.819 9.196 -1.168 15 H ASP 3 H ASP 3 -25.966 9.226 -0.726 16 HA ASP 3 HA ASP 3 -27.856 8.177 -0.037 17 1HB ASP 3 1HB ASP 3 -25.865 6.160 1.023 18 2HB ASP 3 2HB ASP 3 -27.599 5.886 0.893 19 H GLU 4 H GLU 4 -26.114 6.864 2.717 20 HA GLU 4 HA GLU 4 -26.721 8.920 4.551 21 1HB GLU 4 1HB GLU 4 -29.034 8.044 4.019 22 2HB GLU 4 2HB GLU 4 -28.555 6.532 4.776 23 1HG GLU 4 1HG GLU 4 -29.810 7.870 6.331 24 2HG GLU 4 2HG GLU 4 -28.139 7.731 6.876 25 H ASN 5 H ASN 5 -24.407 7.745 4.265 26 HA ASN 5 HA ASN 5 -22.720 6.636 5.305 27 1HB ASN 5 1HB ASN 5 -24.632 6.748 7.647 28 2HB ASN 5 2HB ASN 5 -22.921 6.344 7.757 29 1HD2 ASN 5 1HD2 ASN 5 -25.248 8.859 7.222 30 2HD2 ASN 5 2HD2 ASN 5 -24.153 10.187 7.376 31 H LYS 6 H LYS 6 -25.030 5.120 4.055 32 HA LYS 6 HA LYS 6 -24.985 2.607 5.522 33 1HB LYS 6 1HB LYS 6 -26.372 3.398 2.955 34 2HB LYS 6 2HB LYS 6 -26.545 1.838 3.747 35 1HG LYS 6 1HG LYS 6 -27.521 2.918 5.696 36 2HG LYS 6 2HG LYS 6 -27.314 4.496 4.935 37 1HD LYS 6 1HD LYS 6 -28.841 3.888 3.164 38 2HD LYS 6 2HD LYS 6 -28.976 2.248 3.804 39 1HE LYS 6 1HE LYS 6 -29.822 4.761 5.239 40 2HE LYS 6 2HE LYS 6 -30.906 3.648 4.405 41 1HZ LYS 6 1HZ LYS 6 -29.179 2.942 6.717 42 2HZ LYS 6 2HZ LYS 6 -30.273 1.913 5.941 43 3HZ LYS 6 3HZ LYS 6 -30.839 3.254 6.801 44 H TRP 7 H TRP 7 -22.450 3.296 4.656 45 HA TRP 7 HA TRP 7 -21.898 1.086 2.847 46 1HB TRP 7 1HB TRP 7 -20.372 2.514 1.460 47 2HB TRP 7 2HB TRP 7 -22.084 2.876 1.266 48 HD1 TRP 7 HD1 TRP 7 -22.972 5.198 2.345 49 HE1 TRP 7 HE1 TRP 7 -21.729 7.388 2.872 50 HE3 TRP 7 HE3 TRP 7 -18.165 3.458 2.225 51 HZ2 TRP 7 HZ2 TRP 7 -19.066 8.264 3.195 52 HZ3 TRP 7 HZ3 TRP 7 -16.328 5.037 2.653 53 HH2 TRP 7 HH2 TRP 7 -16.771 7.391 3.127 54 H VAL 8 H VAL 8 -21.412 1.976 5.711 55 HA VAL 8 HA VAL 8 -18.500 2.097 5.792 56 HB VAL 8 HB VAL 8 -19.580 3.569 7.329 57 1HG1 VAL 8 1HG1 VAL 8 -21.118 2.798 9.077 58 2HG1 VAL 8 2HG1 VAL 8 -21.066 1.172 8.395 59 3HG1 VAL 8 3HG1 VAL 8 -21.752 2.499 7.459 60 1HG2 VAL 8 1HG2 VAL 8 -18.544 1.195 8.877 61 2HG2 VAL 8 2HG2 VAL 8 -18.670 2.851 9.470 62 3HG2 VAL 8 3HG2 VAL 8 -17.556 2.466 8.159 63 H ARG 9 H ARG 9 -18.061 0.036 4.954 64 HA ARG 9 HA ARG 9 -17.346 -2.105 5.148 65 1HB ARG 9 1HB ARG 9 -16.713 -1.318 7.498 66 2HB ARG 9 2HB ARG 9 -18.202 -2.079 8.041 67 1HG ARG 9 1HG ARG 9 -17.429 -4.233 7.292 68 2HG ARG 9 2HG ARG 9 -15.982 -3.507 6.590 69 1HD ARG 9 1HD ARG 9 -15.415 -4.504 8.706 70 2HD ARG 9 2HD ARG 9 -15.319 -2.750 8.853 71 HE ARG 9 HE ARG 9 -17.876 -3.640 9.643 72 1HH1 ARG 9 1HH1 ARG 9 -14.557 -3.623 10.710 73 2HH1 ARG 9 2HH1 ARG 9 -14.964 -3.684 12.392 74 1HH2 ARG 9 1HH2 ARG 9 -18.418 -3.718 11.853 75 2HH2 ARG 9 2HH2 ARG 9 -17.159 -3.737 13.041 76 H ARG 10 H ARG 10 -20.342 -1.099 5.189 77 HA ARG 10 HA ARG 10 -21.722 -3.543 5.810 78 1HB ARG 10 1HB ARG 10 -22.891 -1.439 6.118 79 2HB ARG 10 2HB ARG 10 -22.626 -1.004 4.434 80 1HG ARG 10 1HG ARG 10 -24.059 -2.774 3.696 81 2HG ARG 10 2HG ARG 10 -24.238 -3.368 5.345 82 1HD ARG 10 1HD ARG 10 -25.270 -1.184 5.949 83 2HD ARG 10 2HD ARG 10 -25.209 -0.736 4.245 84 HE ARG 10 HE ARG 10 -26.623 -3.187 4.972 85 1HH1 ARG 10 1HH1 ARG 10 -26.738 0.136 3.925 86 2HH1 ARG 10 2HH1 ARG 10 -28.394 0.054 3.423 87 1HH2 ARG 10 1HH2 ARG 10 -28.803 -3.302 4.315 88 2HH2 ARG 10 2HH2 ARG 10 -29.568 -1.898 3.648 89 H ASP 11 H ASP 11 -21.342 -5.242 4.539 90 HA ASP 11 HA ASP 11 -21.398 -6.581 2.688 91 1HB ASP 11 1HB ASP 11 -23.336 -5.197 1.968 92 2HB ASP 11 2HB ASP 11 -22.213 -4.105 1.164 93 H VAL 12 H VAL 12 -19.403 -4.009 3.186 94 HA VAL 12 HA VAL 12 -17.906 -3.795 0.839 95 HB VAL 12 HB VAL 12 -17.091 -3.390 3.720 96 1HG1 VAL 12 1HG1 VAL 12 -15.603 -2.362 1.316 97 2HG1 VAL 12 2HG1 VAL 12 -15.158 -3.855 2.141 98 3HG1 VAL 12 3HG1 VAL 12 -15.108 -2.321 3.008 99 1HG2 VAL 12 1HG2 VAL 12 -17.943 -1.504 1.530 100 2HG2 VAL 12 2HG2 VAL 12 -17.313 -0.998 3.097 101 3HG2 VAL 12 3HG2 VAL 12 -18.829 -1.894 3.005 102 H SER 13 H SER 13 -16.342 -5.192 3.681 103 HA SER 13 HA SER 13 -14.895 -6.930 3.916 104 1HB SER 13 1HB SER 13 -16.942 -8.247 3.678 105 2HB SER 13 2HB SER 13 -16.765 -8.233 1.923 106 HG SER 13 HG SER 13 -15.691 -10.011 2.272 107 H THR 14 H THR 14 -15.581 -7.850 0.590 108 HA THR 14 HA THR 14 -12.752 -7.482 -0.045 109 HB THR 14 HB THR 14 -13.288 -8.803 -2.101 110 HG1 THR 14 HG1 THR 14 -15.429 -8.596 -2.439 111 1HG2 THR 14 1HG2 THR 14 -12.366 -10.008 -0.274 112 2HG2 THR 14 2HG2 THR 14 -13.738 -10.958 -0.850 113 3HG2 THR 14 3HG2 THR 14 -13.893 -9.976 0.607 114 H ALA 15 H ALA 15 -15.089 -5.421 -0.027 115 HA ALA 15 HA ALA 15 -15.296 -4.522 -2.727 116 1HB ALA 15 1HB ALA 15 -15.799 -2.805 -0.321 117 2HB ALA 15 2HB ALA 15 -16.916 -4.083 -0.797 118 3HB ALA 15 3HB ALA 15 -16.578 -2.750 -1.902 119 H LEU 16 H LEU 16 -12.741 -4.559 -0.701 120 HA LEU 16 HA LEU 16 -11.542 -2.087 -0.710 121 1HB LEU 16 1HB LEU 16 -9.370 -3.379 -0.751 122 2HB LEU 16 2HB LEU 16 -10.510 -3.815 0.507 123 HG LEU 16 HG LEU 16 -11.242 -5.639 -1.275 124 1HD1 LEU 16 1HD1 LEU 16 -9.732 -4.872 -3.022 125 2HD1 LEU 16 2HD1 LEU 16 -9.309 -6.501 -2.495 126 3HD1 LEU 16 3HD1 LEU 16 -8.350 -5.124 -1.954 127 1HD2 LEU 16 1HD2 LEU 16 -8.738 -5.956 0.366 128 2HD2 LEU 16 2HD2 LEU 16 -9.864 -7.221 -0.122 129 3HD2 LEU 16 3HD2 LEU 16 -10.369 -5.987 1.032 130 H SER 17 H SER 17 -12.358 -3.925 -3.413 131 HA SER 17 HA SER 17 -10.407 -3.616 -5.276 132 1HB SER 17 1HB SER 17 -12.462 -4.771 -5.791 133 2HB SER 17 2HB SER 17 -13.387 -3.277 -5.646 134 HG SER 17 HG SER 17 -12.310 -4.239 -7.812 135 H ARG 18 H ARG 18 -12.258 -1.039 -3.836 136 HA ARG 18 HA ARG 18 -10.588 0.899 -5.126 137 1HB ARG 18 1HB ARG 18 -12.304 0.422 -6.878 138 2HB ARG 18 2HB ARG 18 -13.533 1.017 -5.771 139 1HG ARG 18 1HG ARG 18 -12.536 3.211 -5.772 140 2HG ARG 18 2HG ARG 18 -11.197 2.635 -6.766 141 1HD ARG 18 1HD ARG 18 -12.766 3.804 -8.166 142 2HD ARG 18 2HD ARG 18 -12.820 2.085 -8.553 143 HE ARG 18 HE ARG 18 -14.791 2.999 -6.638 144 1HH1 ARG 18 1HH1 ARG 18 -14.050 2.325 -9.974 145 2HH1 ARG 18 2HH1 ARG 18 -15.708 2.150 -10.442 146 1HH2 ARG 18 1HH2 ARG 18 -16.978 2.774 -7.245 147 2HH2 ARG 18 2HH2 ARG 18 -17.373 2.405 -8.890 148 H MET 19 H MET 19 -13.849 0.817 -3.640 149 HA MET 19 HA MET 19 -13.767 3.242 -2.356 150 1HB MET 19 1HB MET 19 -15.412 2.340 -0.771 151 2HB MET 19 2HB MET 19 -15.784 1.914 -2.434 152 1HG MET 19 1HG MET 19 -14.966 -0.321 -2.095 153 2HG MET 19 2HG MET 19 -14.425 0.086 -0.467 154 1HE MET 19 1HE MET 19 -16.866 1.986 0.426 155 2HE MET 19 2HE MET 19 -16.158 0.790 1.511 156 3HE MET 19 3HE MET 19 -17.905 0.839 1.272 157 H GLY 20 H GLY 20 -12.491 0.159 -1.141 158 1HA GLY 20 1HA GLY 20 -11.112 -0.302 0.642 159 2HA GLY 20 2HA GLY 20 -10.361 1.237 0.248 160 H ASP 21 H ASP 21 -9.931 1.589 2.463 161 HA ASP 21 HA ASP 21 -10.289 2.527 4.500 162 1HB ASP 21 1HB ASP 21 -13.020 3.285 3.424 163 2HB ASP 21 2HB ASP 21 -12.214 3.980 4.827 164 H GLU 22 H GLU 22 -13.603 1.514 3.759 165 HA GLU 22 HA GLU 22 -14.046 0.350 6.276 166 1HB GLU 22 1HB GLU 22 -15.553 -0.598 3.877 167 2HB GLU 22 2HB GLU 22 -16.145 -0.200 5.483 168 1HG GLU 22 1HG GLU 22 -15.340 1.722 3.310 169 2HG GLU 22 2HG GLU 22 -16.962 1.426 3.940 170 H ALA 23 H ALA 23 -12.377 -0.753 3.518 171 HA ALA 23 HA ALA 23 -12.509 -3.550 4.410 172 1HB ALA 23 1HB ALA 23 -13.102 -3.093 2.055 173 2HB ALA 23 2HB ALA 23 -11.714 -4.166 2.221 174 3HB ALA 23 3HB ALA 23 -11.472 -2.473 1.794 175 H PHE 24 H PHE 24 -10.705 -0.978 5.076 176 HA PHE 24 HA PHE 24 -8.059 -1.591 4.546 177 1HB PHE 24 1HB PHE 24 -9.112 0.484 5.690 178 2HB PHE 24 2HB PHE 24 -8.906 -0.426 7.184 179 HD1 PHE 24 HD1 PHE 24 -6.756 -0.067 4.163 180 HD2 PHE 24 HD2 PHE 24 -7.162 0.493 8.362 181 HE1 PHE 24 HE1 PHE 24 -4.422 0.672 4.285 182 HE2 PHE 24 HE2 PHE 24 -4.823 1.238 8.490 183 HZ PHE 24 HZ PHE 24 -3.446 1.331 6.449 184 H GLU 25 H GLU 25 -9.930 -2.455 7.457 185 HA GLU 25 HA GLU 25 -7.910 -4.065 8.580 186 1HB GLU 25 1HB GLU 25 -10.665 -3.422 9.173 187 2HB GLU 25 2HB GLU 25 -10.328 -5.123 9.453 188 1HG GLU 25 1HG GLU 25 -9.997 -3.753 11.461 189 2HG GLU 25 2HG GLU 25 -8.519 -4.567 10.948 190 HA PRO 26 HA PRO 26 -10.555 -7.866 6.701 191 1HB PRO 26 1HB PRO 26 -11.208 -6.353 4.202 192 2HB PRO 26 2HB PRO 26 -12.095 -7.668 4.982 193 1HG PRO 26 1HG PRO 26 -12.904 -5.139 5.222 194 2HG PRO 26 2HG PRO 26 -13.025 -6.275 6.578 195 1HD PRO 26 1HD PRO 26 -11.149 -4.012 6.173 196 2HD PRO 26 2HD PRO 26 -11.760 -4.719 7.678 197 H LEU 27 H LEU 27 -8.682 -5.429 5.050 198 HA LEU 27 HA LEU 27 -7.442 -7.057 3.115 199 1HB LEU 27 1HB LEU 27 -7.023 -4.392 4.307 200 2HB LEU 27 2HB LEU 27 -5.606 -5.125 3.573 201 HG LEU 27 HG LEU 27 -8.206 -4.871 2.080 202 1HD1 LEU 27 1HD1 LEU 27 -5.932 -2.894 2.056 203 2HD1 LEU 27 2HD1 LEU 27 -7.475 -2.640 2.869 204 3HD1 LEU 27 3HD1 LEU 27 -7.421 -2.814 1.115 205 1HD2 LEU 27 1HD2 LEU 27 -6.651 -6.422 1.114 206 2HD2 LEU 27 2HD2 LEU 27 -5.332 -5.259 1.259 207 3HD2 LEU 27 3HD2 LEU 27 -6.656 -4.956 0.134 208 H LEU 28 H LEU 28 -6.105 -5.796 6.188 209 HA LEU 28 HA LEU 28 -3.854 -7.529 6.138 210 1HB LEU 28 1HB LEU 28 -3.547 -6.832 8.500 211 2HB LEU 28 2HB LEU 28 -3.727 -5.487 7.392 212 HG LEU 28 HG LEU 28 -6.224 -5.533 8.122 213 1HD1 LEU 28 1HD1 LEU 28 -6.442 -6.238 10.515 214 2HD1 LEU 28 2HD1 LEU 28 -4.902 -7.080 10.340 215 3HD1 LEU 28 3HD1 LEU 28 -6.288 -7.561 9.362 216 1HD2 LEU 28 1HD2 LEU 28 -4.751 -3.694 8.591 217 2HD2 LEU 28 2HD2 LEU 28 -4.006 -4.583 9.920 218 3HD2 LEU 28 3HD2 LEU 28 -5.690 -4.072 10.036 219 H GLU 29 H GLU 29 -7.114 -7.942 7.016 220 HA GLU 29 HA GLU 29 -6.822 -10.007 8.937 221 1HB GLU 29 1HB GLU 29 -8.882 -8.710 8.752 222 2HB GLU 29 2HB GLU 29 -9.145 -9.327 7.128 223 1HG GLU 29 1HG GLU 29 -9.412 -11.577 8.006 224 2HG GLU 29 2HG GLU 29 -9.103 -10.987 9.639 225 H SER 30 H SER 30 -7.042 -9.902 5.445 226 HA SER 30 HA SER 30 -7.469 -12.659 4.997 227 1HB SER 30 1HB SER 30 -7.935 -11.058 3.245 228 2HB SER 30 2HB SER 30 -6.253 -10.528 3.225 229 HG SER 30 HG SER 30 -6.014 -12.011 1.763 230 H LEU 31 H LEU 31 -4.726 -10.962 6.070 231 HA LEU 31 HA LEU 31 -2.671 -12.534 4.933 232 1HB LEU 31 1HB LEU 31 -2.727 -10.976 7.517 233 2HB LEU 31 2HB LEU 31 -1.282 -11.670 6.808 234 HG LEU 31 HG LEU 31 -2.987 -9.546 5.503 235 1HD1 LEU 31 1HD1 LEU 31 -1.284 -7.982 6.091 236 2HD1 LEU 31 2HD1 LEU 31 -0.275 -9.253 6.777 237 3HD1 LEU 31 3HD1 LEU 31 -1.790 -8.809 7.564 238 1HD2 LEU 31 1HD2 LEU 31 -1.081 -9.338 3.962 239 2HD2 LEU 31 2HD2 LEU 31 -1.831 -10.932 3.881 240 3HD2 LEU 31 3HD2 LEU 31 -0.310 -10.715 4.750 241 H SER 32 H SER 32 -5.053 -13.333 7.146 242 HA SER 32 HA SER 32 -3.444 -15.546 8.242 243 1HB SER 32 1HB SER 32 -5.952 -14.288 9.381 244 2HB SER 32 2HB SER 32 -5.053 -15.623 10.103 245 HG SER 32 HG SER 32 -3.681 -14.240 10.882 246 H ASN 33 H ASN 33 -5.262 -15.122 5.722 247 HA ASN 33 HA ASN 33 -7.313 -17.102 6.081 248 1HB ASN 33 1HB ASN 33 -7.525 -15.160 4.511 249 2HB ASN 33 2HB ASN 33 -6.295 -15.908 3.495 250 1HD2 ASN 33 1HD2 ASN 33 -8.700 -17.713 5.260 251 2HD2 ASN 33 2HD2 ASN 33 -9.585 -18.255 3.882 252 H GLU 34 H GLU 34 -7.361 -19.191 5.308 253 HA GLU 34 HA GLU 34 -4.888 -20.569 5.179 254 1HB GLU 34 1HB GLU 34 -7.676 -21.504 4.474 255 2HB GLU 34 2HB GLU 34 -6.276 -22.553 4.652 256 1HG GLU 34 1HG GLU 34 -6.081 -21.890 6.997 257 2HG GLU 34 2HG GLU 34 -7.493 -20.848 6.815 258 H ASP 35 H ASP 35 -6.940 -19.144 2.781 259 HA ASP 35 HA ASP 35 -5.702 -20.595 0.592 260 1HB ASP 35 1HB ASP 35 -7.722 -18.342 0.574 261 2HB ASP 35 2HB ASP 35 -7.185 -19.235 -0.845 262 H TRP 36 H TRP 36 -4.131 -19.854 -0.718 263 HA TRP 36 HA TRP 36 -2.695 -17.487 0.101 264 1HB TRP 36 1HB TRP 36 -1.042 -18.182 -1.598 265 2HB TRP 36 2HB TRP 36 -1.437 -19.488 -0.486 266 HD1 TRP 36 HD1 TRP 36 -3.233 -21.374 -1.505 267 HE1 TRP 36 HE1 TRP 36 -3.402 -22.288 -3.907 268 HE3 TRP 36 HE3 TRP 36 -0.717 -17.670 -3.974 269 HZ2 TRP 36 HZ2 TRP 36 -2.581 -21.547 -6.493 270 HZ3 TRP 36 HZ3 TRP 36 -0.452 -17.852 -6.414 271 HH2 TRP 36 HH2 TRP 36 -1.367 -19.754 -7.643 272 H ARG 37 H ARG 37 -4.675 -18.511 -2.610 273 HA ARG 37 HA ARG 37 -4.139 -16.452 -4.396 274 1HB ARG 37 1HB ARG 37 -5.461 -18.552 -4.827 275 2HB ARG 37 2HB ARG 37 -6.814 -17.792 -4.001 276 1HG ARG 37 1HG ARG 37 -6.910 -16.053 -5.661 277 2HG ARG 37 2HG ARG 37 -5.463 -16.685 -6.448 278 1HD ARG 37 1HD ARG 37 -7.514 -17.347 -7.624 279 2HD ARG 37 2HD ARG 37 -6.627 -18.739 -7.003 280 HE ARG 37 HE ARG 37 -8.901 -17.640 -5.500 281 1HH1 ARG 37 1HH1 ARG 37 -7.368 -20.265 -7.205 282 2HH1 ARG 37 2HH1 ARG 37 -8.542 -21.440 -6.714 283 1HH2 ARG 37 1HH2 ARG 37 -10.453 -19.181 -4.851 284 2HH2 ARG 37 2HH2 ARG 37 -10.296 -20.823 -5.378 285 H ILE 38 H ILE 38 -6.149 -16.519 -1.540 286 HA ILE 38 HA ILE 38 -7.440 -14.001 -2.133 287 HB ILE 38 HB ILE 38 -7.413 -15.550 0.460 288 1HG1 ILE 38 1HG1 ILE 38 -8.334 -16.845 -1.454 289 2HG1 ILE 38 2HG1 ILE 38 -9.543 -16.483 -0.227 290 1HG2 ILE 38 1HG2 ILE 38 -8.030 -13.253 0.812 291 2HG2 ILE 38 2HG2 ILE 38 -9.475 -14.256 0.931 292 3HG2 ILE 38 3HG2 ILE 38 -9.174 -13.312 -0.528 293 1HD1 ILE 38 1HD1 ILE 38 -9.190 -15.062 -2.856 294 2HD1 ILE 38 2HD1 ILE 38 -10.377 -14.646 -1.621 295 3HD1 ILE 38 3HD1 ILE 38 -10.467 -16.206 -2.439 296 H ARG 39 H ARG 39 -4.876 -15.166 0.008 297 HA ARG 39 HA ARG 39 -4.481 -12.769 1.429 298 1HB ARG 39 1HB ARG 39 -3.611 -14.932 2.190 299 2HB ARG 39 2HB ARG 39 -2.496 -14.966 0.831 300 1HG ARG 39 1HG ARG 39 -1.409 -12.939 1.693 301 2HG ARG 39 2HG ARG 39 -2.502 -12.962 3.078 302 1HD ARG 39 1HD ARG 39 -0.543 -15.131 2.337 303 2HD ARG 39 2HD ARG 39 -0.327 -13.943 3.622 304 HE ARG 39 HE ARG 39 -2.735 -15.270 4.081 305 1HH1 ARG 39 1HH1 ARG 39 0.678 -15.959 4.020 306 2HH1 ARG 39 2HH1 ARG 39 0.570 -17.244 5.177 307 1HH2 ARG 39 1HH2 ARG 39 -2.889 -16.960 5.602 308 2HH2 ARG 39 2HH2 ARG 39 -1.459 -17.816 6.073 309 H GLY 40 H GLY 40 -3.049 -13.985 -1.570 310 1HA GLY 40 1HA GLY 40 -1.048 -12.051 -1.872 311 2HA GLY 40 2HA GLY 40 -1.816 -12.922 -3.190 312 H ALA 41 H ALA 41 -4.225 -12.088 -3.489 313 HA ALA 41 HA ALA 41 -4.160 -9.633 -4.683 314 1HB ALA 41 1HB ALA 41 -6.572 -10.906 -3.395 315 2HB ALA 41 2HB ALA 41 -5.952 -11.271 -5.005 316 3HB ALA 41 3HB ALA 41 -6.592 -9.668 -4.650 317 H ALA 42 H ALA 42 -4.580 -10.342 -1.297 318 HA ALA 42 HA ALA 42 -5.730 -7.949 -0.428 319 1HB ALA 42 1HB ALA 42 -4.853 -8.491 1.768 320 2HB ALA 42 2HB ALA 42 -3.743 -9.663 1.060 321 3HB ALA 42 3HB ALA 42 -5.483 -9.944 0.991 322 H ALA 43 H ALA 43 -2.258 -8.841 -0.482 323 HA ALA 43 HA ALA 43 -1.376 -6.232 0.191 324 1HB ALA 43 1HB ALA 43 0.198 -8.390 -1.183 325 2HB ALA 43 2HB ALA 43 -0.067 -8.298 0.559 326 3HB ALA 43 3HB ALA 43 0.832 -7.025 -0.265 327 H TRP 44 H TRP 44 -2.247 -7.763 -2.789 328 HA TRP 44 HA TRP 44 -0.818 -6.294 -4.650 329 1HB TRP 44 1HB TRP 44 -3.346 -7.822 -4.656 330 2HB TRP 44 2HB TRP 44 -3.141 -6.676 -5.975 331 HD1 TRP 44 HD1 TRP 44 -1.173 -9.602 -4.366 332 HE1 TRP 44 HE1 TRP 44 0.146 -10.788 -6.223 333 HE3 TRP 44 HE3 TRP 44 -2.387 -6.565 -8.295 334 HZ2 TRP 44 HZ2 TRP 44 0.617 -10.485 -8.985 335 HZ3 TRP 44 HZ3 TRP 44 -1.461 -7.086 -10.514 336 HH2 TRP 44 HH2 TRP 44 0.008 -9.006 -10.852 337 H ILE 45 H ILE 45 -3.935 -5.476 -3.126 338 HA ILE 45 HA ILE 45 -3.877 -2.874 -4.478 339 HB ILE 45 HB ILE 45 -6.130 -3.930 -2.789 340 1HG1 ILE 45 1HG1 ILE 45 -5.729 -5.594 -4.510 341 2HG1 ILE 45 2HG1 ILE 45 -7.179 -4.683 -4.912 342 1HG2 ILE 45 1HG2 ILE 45 -6.161 -1.542 -3.282 343 2HG2 ILE 45 2HG2 ILE 45 -7.474 -2.376 -4.112 344 3HG2 ILE 45 3HG2 ILE 45 -6.035 -1.889 -5.007 345 1HD1 ILE 45 1HD1 ILE 45 -5.927 -3.380 -6.536 346 2HD1 ILE 45 2HD1 ILE 45 -5.801 -5.107 -6.872 347 3HD1 ILE 45 3HD1 ILE 45 -4.454 -4.255 -6.115 348 H ILE 46 H ILE 46 -3.367 -4.301 -1.387 349 HA ILE 46 HA ILE 46 -4.076 -2.217 0.325 350 HB ILE 46 HB ILE 46 -3.183 -4.665 0.785 351 1HG1 ILE 46 1HG1 ILE 46 -2.598 -2.440 2.738 352 2HG1 ILE 46 2HG1 ILE 46 -4.225 -3.002 2.370 353 1HG2 ILE 46 1HG2 ILE 46 -0.730 -3.033 1.396 354 2HG2 ILE 46 2HG2 ILE 46 -0.888 -4.077 -0.016 355 3HG2 ILE 46 3HG2 ILE 46 -0.950 -4.770 1.605 356 1HD1 ILE 46 1HD1 ILE 46 -3.341 -3.977 4.429 357 2HD1 ILE 46 2HD1 ILE 46 -2.020 -4.699 3.510 358 3HD1 ILE 46 3HD1 ILE 46 -3.682 -5.204 3.210 359 H GLY 47 H GLY 47 -1.236 -2.592 -1.692 360 1HA GLY 47 1HA GLY 47 0.415 -0.696 -0.401 361 2HA GLY 47 2HA GLY 47 0.569 -1.222 -2.068 362 H ASN 48 H ASN 48 -2.380 -0.269 -2.313 363 HA ASN 48 HA ASN 48 -1.741 2.258 -3.452 364 1HB ASN 48 1HB ASN 48 -4.421 0.959 -2.923 365 2HB ASN 48 2HB ASN 48 -4.188 2.425 -3.868 366 1HD2 ASN 48 1HD2 ASN 48 -2.158 -0.466 -3.852 367 2HD2 ASN 48 2HD2 ASN 48 -2.440 -0.883 -5.503 368 H PHE 49 H PHE 49 -2.875 1.254 -0.340 369 HA PHE 49 HA PHE 49 -4.068 3.724 0.419 370 1HB PHE 49 1HB PHE 49 -3.092 1.391 2.069 371 2HB PHE 49 2HB PHE 49 -3.988 2.760 2.723 372 HD1 PHE 49 HD1 PHE 49 -6.313 2.741 2.729 373 HD2 PHE 49 HD2 PHE 49 -4.211 0.047 0.192 374 HE1 PHE 49 HE1 PHE 49 -8.430 1.633 2.155 375 HE2 PHE 49 HE2 PHE 49 -6.327 -1.067 -0.385 376 HZ PHE 49 HZ PHE 49 -8.442 -0.273 0.598 377 H GLN 50 H GLN 50 -0.798 2.594 0.376 378 HA GLN 50 HA GLN 50 1.176 3.546 1.005 379 1HB GLN 50 1HB GLN 50 -0.606 5.825 0.396 380 2HB GLN 50 2HB GLN 50 0.842 6.207 1.320 381 1HG GLN 50 1HG GLN 50 1.846 6.355 -0.657 382 2HG GLN 50 2HG GLN 50 1.822 4.591 -0.622 383 1HE2 GLN 50 1HE2 GLN 50 0.337 3.482 -1.882 384 2HE2 GLN 50 2HE2 GLN 50 -0.538 4.239 -3.165 385 H ASP 51 H ASP 51 -0.754 2.687 3.067 386 HA ASP 51 HA ASP 51 -0.034 4.462 5.293 387 1HB ASP 51 1HB ASP 51 -2.452 3.766 4.876 388 2HB ASP 51 2HB ASP 51 -1.976 2.157 5.410 389 H GLU 52 H GLU 52 0.607 3.464 7.348 390 HA GLU 52 HA GLU 52 2.779 1.687 7.012 391 1HB GLU 52 1HB GLU 52 2.842 1.672 9.511 392 2HB GLU 52 2HB GLU 52 2.835 3.283 8.807 393 1HG GLU 52 1HG GLU 52 0.466 3.506 9.296 394 2HG GLU 52 2HG GLU 52 0.437 1.872 9.958 395 H ARG 53 H ARG 53 -0.548 1.250 7.986 396 HA ARG 53 HA ARG 53 -0.296 -1.425 8.902 397 1HB ARG 53 1HB ARG 53 -2.196 0.244 9.336 398 2HB ARG 53 2HB ARG 53 -2.791 -0.198 7.743 399 1HG ARG 53 1HG ARG 53 -3.425 -2.289 8.399 400 2HG ARG 53 2HG ARG 53 -2.234 -2.362 9.702 401 1HD ARG 53 1HD ARG 53 -4.739 -0.684 9.667 402 2HD ARG 53 2HD ARG 53 -4.492 -2.161 10.596 403 HE ARG 53 HE ARG 53 -2.463 -0.505 11.377 404 1HH1 ARG 53 1HH1 ARG 53 -5.940 -0.279 11.297 405 2HH1 ARG 53 2HH1 ARG 53 -6.033 0.751 12.687 406 1HH2 ARG 53 1HH2 ARG 53 -2.578 0.848 13.209 407 2HH2 ARG 53 2HH2 ARG 53 -4.123 1.394 13.771 408 H ALA 54 H ALA 54 -0.044 -0.073 5.852 409 HA ALA 54 HA ALA 54 -0.991 -2.489 4.479 410 1HB ALA 54 1HB ALA 54 -1.081 -1.184 2.477 411 2HB ALA 54 2HB ALA 54 -0.251 0.160 3.258 412 3HB ALA 54 3HB ALA 54 -1.881 -0.284 3.765 413 H VAL 55 H VAL 55 1.914 -0.793 5.306 414 HA VAL 55 HA VAL 55 3.499 -1.885 3.177 415 HB VAL 55 HB VAL 55 5.451 -1.073 4.490 416 1HG1 VAL 55 1HG1 VAL 55 3.246 0.940 4.075 417 2HG1 VAL 55 2HG1 VAL 55 4.340 0.337 2.830 418 3HG1 VAL 55 3HG1 VAL 55 4.970 1.295 4.170 419 1HG2 VAL 55 1HG2 VAL 55 4.450 -1.355 6.727 420 2HG2 VAL 55 2HG2 VAL 55 3.366 -0.006 6.383 421 3HG2 VAL 55 3HG2 VAL 55 5.106 0.262 6.472 422 H GLU 56 H GLU 56 2.842 -2.812 6.515 423 HA GLU 56 HA GLU 56 4.875 -4.698 6.828 424 1HB GLU 56 1HB GLU 56 3.611 -4.024 8.743 425 2HB GLU 56 2HB GLU 56 2.110 -4.600 8.033 426 1HG GLU 56 1HG GLU 56 2.801 -6.875 8.248 427 2HG GLU 56 2HG GLU 56 4.422 -6.389 8.741 428 HA PRO 57 HA PRO 57 1.604 -8.038 5.167 429 1HB PRO 57 1HB PRO 57 0.351 -6.212 3.175 430 2HB PRO 57 2HB PRO 57 -0.357 -7.560 4.072 431 1HG PRO 57 1HG PRO 57 -0.883 -5.048 4.771 432 2HG PRO 57 2HG PRO 57 -0.640 -6.302 6.001 433 1HD PRO 57 1HD PRO 57 1.200 -4.126 5.119 434 2HD PRO 57 2HD PRO 57 0.964 -4.822 6.733 435 H LEU 58 H LEU 58 3.202 -5.460 3.461 436 HA LEU 58 HA LEU 58 3.729 -7.015 1.097 437 1HB LEU 58 1HB LEU 58 5.061 -4.452 1.972 438 2HB LEU 58 2HB LEU 58 5.022 -5.122 0.352 439 HG LEU 58 HG LEU 58 2.632 -4.057 1.859 440 1HD1 LEU 58 1HD1 LEU 58 4.046 -2.887 -0.526 441 2HD1 LEU 58 2HD1 LEU 58 4.282 -2.343 1.135 442 3HD1 LEU 58 3HD1 LEU 58 2.699 -2.188 0.373 443 1HD2 LEU 58 1HD2 LEU 58 2.873 -5.000 -0.993 444 2HD2 LEU 58 2HD2 LEU 58 1.432 -4.327 -0.231 445 3HD2 LEU 58 3HD2 LEU 58 2.074 -5.878 0.310 446 H ILE 59 H ILE 59 5.409 -6.153 4.047 447 HA ILE 59 HA ILE 59 7.997 -6.965 3.378 448 HB ILE 59 HB ILE 59 6.636 -7.021 6.070 449 1HG1 ILE 59 1HG1 ILE 59 6.691 -4.797 4.990 450 2HG1 ILE 59 2HG1 ILE 59 7.691 -4.858 6.437 451 1HG2 ILE 59 1HG2 ILE 59 8.578 -8.441 6.127 452 2HG2 ILE 59 2HG2 ILE 59 8.927 -6.945 6.994 453 3HG2 ILE 59 3HG2 ILE 59 9.561 -7.189 5.366 454 1HD1 ILE 59 1HD1 ILE 59 8.840 -3.628 4.742 455 2HD1 ILE 59 2HD1 ILE 59 8.629 -4.938 3.581 456 3HD1 ILE 59 3HD1 ILE 59 9.675 -5.163 4.982 457 H LYS 60 H LYS 60 5.471 -8.793 5.109 458 HA LYS 60 HA LYS 60 7.002 -11.184 5.256 459 1HB LYS 60 1HB LYS 60 4.007 -10.914 5.497 460 2HB LYS 60 2HB LYS 60 5.015 -12.197 6.152 461 1HG LYS 60 1HG LYS 60 5.189 -9.313 6.998 462 2HG LYS 60 2HG LYS 60 4.238 -10.543 7.832 463 1HD LYS 60 1HD LYS 60 7.215 -10.703 7.361 464 2HD LYS 60 2HD LYS 60 6.468 -10.138 8.856 465 1HE LYS 60 1HE LYS 60 5.334 -12.327 9.070 466 2HE LYS 60 2HE LYS 60 6.189 -12.879 7.630 467 1HZ LYS 60 1HZ LYS 60 7.288 -13.601 9.662 468 2HZ LYS 60 2HZ LYS 60 7.475 -11.994 10.158 469 3HZ LYS 60 3HZ LYS 60 8.282 -12.552 8.780 470 H LEU 61 H LEU 61 5.247 -9.796 2.695 471 HA LEU 61 HA LEU 61 4.592 -12.353 1.483 472 1HB LEU 61 1HB LEU 61 3.485 -9.799 1.360 473 2HB LEU 61 2HB LEU 61 4.163 -10.080 -0.233 474 HG LEU 61 HG LEU 61 2.865 -12.123 -0.459 475 1HD1 LEU 61 1HD1 LEU 61 2.822 -12.774 1.907 476 2HD1 LEU 61 2HD1 LEU 61 1.209 -12.772 1.196 477 3HD1 LEU 61 3HD1 LEU 61 1.713 -11.445 2.243 478 1HD2 LEU 61 1HD2 LEU 61 0.761 -11.152 -0.811 479 2HD2 LEU 61 2HD2 LEU 61 1.928 -9.847 -1.030 480 3HD2 LEU 61 3HD2 LEU 61 1.008 -9.966 0.470 481 H LEU 62 H LEU 62 7.041 -9.891 1.163 482 HA LEU 62 HA LEU 62 7.911 -10.545 -1.447 483 1HB LEU 62 1HB LEU 62 9.450 -9.370 0.871 484 2HB LEU 62 2HB LEU 62 10.001 -9.400 -0.794 485 HG LEU 62 HG LEU 62 7.388 -8.099 -0.179 486 1HD1 LEU 62 1HD1 LEU 62 9.002 -7.255 1.508 487 2HD1 LEU 62 2HD1 LEU 62 8.465 -6.018 0.372 488 3HD1 LEU 62 3HD1 LEU 62 10.059 -6.746 0.190 489 1HD2 LEU 62 1HD2 LEU 62 8.077 -6.668 -2.044 490 2HD2 LEU 62 2HD2 LEU 62 8.096 -8.374 -2.493 491 3HD2 LEU 62 3HD2 LEU 62 9.609 -7.536 -2.143 492 H GLU 63 H GLU 63 7.976 -12.285 1.393 493 HA GLU 63 HA GLU 63 10.173 -13.981 0.412 494 1HB GLU 63 1HB GLU 63 10.489 -14.622 2.816 495 2HB GLU 63 2HB GLU 63 10.901 -12.958 2.434 496 1HG GLU 63 1HG GLU 63 8.763 -12.217 3.342 497 2HG GLU 63 2HG GLU 63 8.341 -13.887 3.717 498 H ASP 64 H ASP 64 6.935 -13.809 0.625 499 HA ASP 64 HA ASP 64 6.144 -16.225 1.795 500 1HB ASP 64 1HB ASP 64 4.618 -14.338 1.187 501 2HB ASP 64 2HB ASP 64 4.777 -14.825 -0.499 502 H ASP 65 H ASP 65 7.389 -15.486 -1.325 503 HA ASP 65 HA ASP 65 7.956 -16.740 -3.143 504 1HB ASP 65 1HB ASP 65 8.342 -18.800 -0.965 505 2HB ASP 65 2HB ASP 65 8.917 -18.984 -2.619 506 H SER 66 H SER 66 5.083 -16.741 -2.375 507 HA SER 66 HA SER 66 4.165 -19.405 -3.075 508 1HB SER 66 1HB SER 66 2.988 -17.829 -1.432 509 2HB SER 66 2HB SER 66 2.445 -16.940 -2.852 510 HG SER 66 HG SER 66 0.858 -18.363 -2.594 511 H GLY 67 H GLY 67 4.786 -16.385 -4.628 512 1HA GLY 67 1HA GLY 67 5.160 -16.697 -7.091 513 2HA GLY 67 2HA GLY 67 3.539 -17.383 -7.117 514 H PHE 68 H PHE 68 1.867 -16.011 -7.517 515 HA PHE 68 HA PHE 68 2.352 -13.329 -8.185 516 1HB PHE 68 1HB PHE 68 0.156 -13.230 -8.796 517 2HB PHE 68 2HB PHE 68 0.267 -14.977 -8.637 518 HD1 PHE 68 HD1 PHE 68 -1.049 -11.885 -7.160 519 HD2 PHE 68 HD2 PHE 68 -0.804 -16.128 -6.799 520 HE1 PHE 68 HE1 PHE 68 -2.890 -11.858 -5.534 521 HE2 PHE 68 HE2 PHE 68 -2.638 -16.096 -5.172 522 HZ PHE 68 HZ PHE 68 -3.687 -13.963 -4.537 523 H VAL 69 H VAL 69 1.633 -14.914 -5.209 524 HA VAL 69 HA VAL 69 0.817 -12.671 -3.694 525 HB VAL 69 HB VAL 69 2.248 -15.101 -2.632 526 1HG1 VAL 69 1HG1 VAL 69 0.588 -14.590 -0.711 527 2HG1 VAL 69 2HG1 VAL 69 0.504 -12.988 -1.443 528 3HG1 VAL 69 3HG1 VAL 69 2.049 -13.619 -0.875 529 1HG2 VAL 69 1HG2 VAL 69 -0.000 -16.096 -2.345 530 2HG2 VAL 69 2HG2 VAL 69 0.450 -15.884 -4.036 531 3HG2 VAL 69 3HG2 VAL 69 -0.677 -14.760 -3.278 532 H ARG 70 H ARG 70 3.921 -14.057 -4.529 533 HA ARG 70 HA ARG 70 5.442 -12.396 -2.767 534 1HB ARG 70 1HB ARG 70 6.296 -14.569 -3.504 535 2HB ARG 70 2HB ARG 70 6.302 -14.011 -5.172 536 1HG ARG 70 1HG ARG 70 7.934 -12.234 -4.457 537 2HG ARG 70 2HG ARG 70 8.045 -13.073 -2.908 538 1HD ARG 70 1HD ARG 70 9.839 -13.690 -4.514 539 2HD ARG 70 2HD ARG 70 8.866 -15.057 -3.974 540 HE ARG 70 HE ARG 70 7.673 -14.222 -6.288 541 1HH1 ARG 70 1HH1 ARG 70 10.880 -15.258 -5.398 542 2HH1 ARG 70 2HH1 ARG 70 11.234 -15.926 -6.956 543 1HH2 ARG 70 1HH2 ARG 70 8.130 -15.103 -8.338 544 2HH2 ARG 70 2HH2 ARG 70 9.671 -15.840 -8.627 545 H SER 71 H SER 71 4.839 -12.446 -6.258 546 HA SER 71 HA SER 71 6.247 -10.066 -6.843 547 1HB SER 71 1HB SER 71 4.027 -11.432 -8.381 548 2HB SER 71 2HB SER 71 5.067 -10.157 -9.015 549 HG SER 71 HG SER 71 6.378 -12.319 -7.899 550 H GLY 72 H GLY 72 3.141 -10.672 -5.517 551 1HA GLY 72 1HA GLY 72 1.767 -8.355 -6.330 552 2HA GLY 72 2HA GLY 72 1.423 -9.290 -4.883 553 H ALA 73 H ALA 73 3.206 -8.964 -3.134 554 HA ALA 73 HA ALA 73 3.042 -6.371 -2.182 555 1HB ALA 73 1HB ALA 73 3.545 -8.229 -0.731 556 2HB ALA 73 2HB ALA 73 4.829 -7.026 -0.606 557 3HB ALA 73 3HB ALA 73 5.084 -8.493 -1.550 558 H ALA 74 H ALA 74 5.271 -7.766 -4.434 559 HA ALA 74 HA ALA 74 7.418 -5.982 -4.189 560 1HB ALA 74 1HB ALA 74 8.040 -6.717 -6.443 561 2HB ALA 74 2HB ALA 74 6.460 -7.478 -6.626 562 3HB ALA 74 3HB ALA 74 7.591 -8.074 -5.411 563 H ARG 75 H ARG 75 4.793 -5.962 -6.615 564 HA ARG 75 HA ARG 75 5.473 -3.451 -7.702 565 1HB ARG 75 1HB ARG 75 3.205 -3.519 -8.718 566 2HB ARG 75 2HB ARG 75 4.130 -4.991 -8.978 567 1HG ARG 75 1HG ARG 75 2.865 -6.181 -7.370 568 2HG ARG 75 2HG ARG 75 2.108 -4.702 -6.776 569 1HD ARG 75 1HD ARG 75 0.686 -6.155 -8.280 570 2HD ARG 75 2HD ARG 75 0.822 -4.454 -8.738 571 HE ARG 75 HE ARG 75 1.753 -5.138 -10.696 572 1HH1 ARG 75 1HH1 ARG 75 2.235 -7.650 -8.330 573 2HH1 ARG 75 2HH1 ARG 75 2.971 -8.743 -9.453 574 1HH2 ARG 75 1HH2 ARG 75 2.719 -6.569 -12.180 575 2HH2 ARG 75 2HH2 ARG 75 3.251 -8.126 -11.642 576 H SER 76 H SER 76 3.283 -4.399 -5.115 577 HA SER 76 HA SER 76 1.885 -2.022 -4.771 578 1HB SER 76 1HB SER 76 2.770 -3.965 -2.624 579 2HB SER 76 2HB SER 76 1.463 -2.790 -2.481 580 HG SER 76 HG SER 76 0.372 -3.894 -4.139 581 H LEU 77 H LEU 77 5.058 -2.967 -3.569 582 HA LEU 77 HA LEU 77 5.451 -0.682 -1.925 583 1HB LEU 77 1HB LEU 77 7.409 -2.601 -3.181 584 2HB LEU 77 2HB LEU 77 7.866 -1.342 -2.048 585 HG LEU 77 HG LEU 77 5.779 -3.329 -1.251 586 1HD1 LEU 77 1HD1 LEU 77 8.748 -3.795 -1.077 587 2HD1 LEU 77 2HD1 LEU 77 7.641 -4.644 -2.155 588 3HD1 LEU 77 3HD1 LEU 77 7.482 -4.823 -0.407 589 1HD2 LEU 77 1HD2 LEU 77 7.933 -1.881 0.285 590 2HD2 LEU 77 2HD2 LEU 77 6.643 -2.875 0.964 591 3HD2 LEU 77 3HD2 LEU 77 6.254 -1.359 0.150 592 H GLU 78 H GLU 78 6.972 -1.534 -5.048 593 HA GLU 78 HA GLU 78 8.148 0.886 -5.613 594 1HB GLU 78 1HB GLU 78 6.804 -0.887 -7.661 595 2HB GLU 78 2HB GLU 78 8.141 0.221 -7.938 596 1HG GLU 78 1HG GLU 78 9.548 -1.154 -6.455 597 2HG GLU 78 2HG GLU 78 8.210 -2.287 -6.279 598 H GLN 79 H GLN 79 4.831 -0.011 -5.692 599 HA GLN 79 HA GLN 79 3.836 2.105 -7.306 600 1HB GLN 79 1HB GLN 79 2.546 0.086 -6.968 601 2HB GLN 79 2HB GLN 79 2.538 0.335 -5.231 602 1HG GLN 79 1HG GLN 79 1.236 2.438 -5.639 603 2HG GLN 79 2HG GLN 79 1.091 1.926 -7.322 604 1HE2 GLN 79 1HE2 GLN 79 1.156 -0.332 -4.681 605 2HE2 GLN 79 2HE2 GLN 79 -0.492 -0.831 -4.794 606 H ILE 80 H ILE 80 4.188 1.600 -3.821 607 HA ILE 80 HA ILE 80 3.010 3.957 -2.913 608 HB ILE 80 HB ILE 80 5.246 2.287 -1.755 609 1HG1 ILE 80 1HG1 ILE 80 2.361 2.618 -0.905 610 2HG1 ILE 80 2HG1 ILE 80 2.952 1.308 -1.922 611 1HG2 ILE 80 1HG2 ILE 80 5.461 4.611 -0.961 612 2HG2 ILE 80 2HG2 ILE 80 5.001 3.503 0.330 613 3HG2 ILE 80 3HG2 ILE 80 3.790 4.558 -0.398 614 1HD1 ILE 80 1HD1 ILE 80 3.745 1.868 0.926 615 2HD1 ILE 80 2HD1 ILE 80 4.435 0.600 -0.087 616 3HD1 ILE 80 3HD1 ILE 80 2.727 0.549 0.347 617 H GLY 81 H GLY 81 6.484 3.302 -3.402 618 1HA GLY 81 1HA GLY 81 8.181 4.678 -4.113 619 2HA GLY 81 2HA GLY 81 6.958 5.812 -4.650 620 H GLY 82 H GLY 82 9.592 5.897 -3.009 621 1HA GLY 82 1HA GLY 82 9.848 8.065 -1.777 622 2HA GLY 82 2HA GLY 82 8.491 7.523 -0.804 623 H GLU 83 H GLU 83 10.588 8.228 0.588 624 HA GLU 83 HA GLU 83 12.602 6.323 1.024 625 1HB GLU 83 1HB GLU 83 12.825 8.582 1.852 626 2HB GLU 83 2HB GLU 83 11.401 8.398 2.865 627 1HG GLU 83 1HG GLU 83 13.418 8.280 4.189 628 2HG GLU 83 2HG GLU 83 12.572 6.733 4.212 629 H ARG 84 H ARG 84 9.293 6.418 1.938 630 HA ARG 84 HA ARG 84 9.227 4.859 4.227 631 1HB ARG 84 1HB ARG 84 7.154 4.425 2.116 632 2HB ARG 84 2HB ARG 84 6.952 4.579 3.854 633 1HG ARG 84 1HG ARG 84 6.082 6.565 3.210 634 2HG ARG 84 2HG ARG 84 7.774 7.049 3.353 635 1HD ARG 84 1HD ARG 84 8.010 6.533 0.896 636 2HD ARG 84 2HD ARG 84 6.260 6.336 0.847 637 HE ARG 84 HE ARG 84 7.534 8.859 1.681 638 1HH1 ARG 84 1HH1 ARG 84 5.197 7.085 -0.199 639 2HH1 ARG 84 2HH1 ARG 84 4.447 8.506 -0.846 640 1HH2 ARG 84 1HH2 ARG 84 6.552 10.733 0.839 641 2HH2 ARG 84 2HH2 ARG 84 5.220 10.581 -0.256 642 H VAL 85 H VAL 85 8.630 3.699 0.932 643 HA VAL 85 HA VAL 85 8.918 0.966 1.643 644 HB VAL 85 HB VAL 85 9.047 0.646 -0.883 645 1HG1 VAL 85 1HG1 VAL 85 6.674 1.177 -1.203 646 2HG1 VAL 85 2HG1 VAL 85 6.703 2.160 0.262 647 3HG1 VAL 85 3HG1 VAL 85 6.966 0.419 0.363 648 1HG2 VAL 85 1HG2 VAL 85 8.500 3.610 -0.840 649 2HG2 VAL 85 2HG2 VAL 85 8.421 2.567 -2.260 650 3HG2 VAL 85 3HG2 VAL 85 9.963 2.832 -1.445 651 H ARG 86 H ARG 86 11.118 3.461 0.738 652 HA ARG 86 HA ARG 86 13.177 1.997 -0.445 653 1HB ARG 86 1HB ARG 86 13.029 4.499 -0.281 654 2HB ARG 86 2HB ARG 86 13.562 4.362 1.389 655 1HG ARG 86 1HG ARG 86 15.659 3.404 0.689 656 2HG ARG 86 2HG ARG 86 15.122 3.379 -0.992 657 1HD ARG 86 1HD ARG 86 14.900 5.859 -0.879 658 2HD ARG 86 2HD ARG 86 15.628 5.803 0.725 659 HE ARG 86 HE ARG 86 17.120 4.639 -1.501 660 1HH1 ARG 86 1HH1 ARG 86 16.720 7.215 0.813 661 2HH1 ARG 86 2HH1 ARG 86 18.298 7.876 0.542 662 1HH2 ARG 86 1HH2 ARG 86 19.198 5.506 -1.865 663 2HH2 ARG 86 2HH2 ARG 86 19.704 6.907 -0.982 664 H ALA 87 H ALA 87 12.228 2.216 2.901 665 HA ALA 87 HA ALA 87 14.687 1.021 3.857 666 1HB ALA 87 1HB ALA 87 13.463 2.710 5.196 667 2HB ALA 87 2HB ALA 87 13.719 1.192 6.057 668 3HB ALA 87 3HB ALA 87 12.136 1.562 5.373 669 H ALA 88 H ALA 88 11.509 0.049 2.893 670 HA ALA 88 HA ALA 88 11.485 -2.486 4.183 671 1HB ALA 88 1HB ALA 88 9.909 -1.501 1.807 672 2HB ALA 88 2HB ALA 88 9.421 -1.403 3.498 673 3HB ALA 88 3HB ALA 88 9.579 -2.975 2.717 674 H MET 89 H MET 89 12.273 -1.432 0.871 675 HA MET 89 HA MET 89 12.904 -4.072 -0.002 676 1HB MET 89 1HB MET 89 14.205 -2.569 -1.812 677 2HB MET 89 2HB MET 89 12.487 -2.917 -1.889 678 1HG MET 89 1HG MET 89 13.117 -0.559 -0.306 679 2HG MET 89 2HG MET 89 13.656 -0.456 -1.986 680 1HE MET 89 1HE MET 89 10.618 -2.777 -1.238 681 2HE MET 89 2HE MET 89 9.288 -1.631 -1.077 682 3HE MET 89 3HE MET 89 10.555 -1.684 0.145 683 H GLU 90 H GLU 90 14.796 -1.375 1.266 684 HA GLU 90 HA GLU 90 17.352 -2.340 0.735 685 1HB GLU 90 1HB GLU 90 16.223 -0.627 2.923 686 2HB GLU 90 2HB GLU 90 17.899 -1.151 3.006 687 1HG GLU 90 1HG GLU 90 18.334 -0.107 0.842 688 2HG GLU 90 2HG GLU 90 16.654 0.417 0.759 689 H LYS 91 H LYS 91 15.070 -3.153 3.275 690 HA LYS 91 HA LYS 91 16.909 -4.933 4.613 691 1HB LYS 91 1HB LYS 91 14.538 -3.627 5.312 692 2HB LYS 91 2HB LYS 91 14.119 -5.335 5.291 693 1HG LYS 91 1HG LYS 91 16.439 -4.169 6.813 694 2HG LYS 91 2HG LYS 91 14.854 -4.513 7.505 695 1HD LYS 91 1HD LYS 91 15.106 -6.852 7.110 696 2HD LYS 91 2HD LYS 91 16.562 -6.592 6.147 697 1HE LYS 91 1HE LYS 91 16.282 -5.975 9.085 698 2HE LYS 91 2HE LYS 91 17.060 -7.409 8.417 699 1HZ LYS 91 1HZ LYS 91 18.694 -5.742 8.982 700 2HZ LYS 91 2HZ LYS 91 17.927 -4.599 7.998 701 3HZ LYS 91 3HZ LYS 91 18.658 -5.957 7.304 702 H LEU 92 H LEU 92 14.668 -5.147 2.014 703 HA LEU 92 HA LEU 92 14.303 -8.003 2.247 704 1HB LEU 92 1HB LEU 92 12.430 -7.263 1.237 705 2HB LEU 92 2HB LEU 92 13.204 -5.807 0.647 706 HG LEU 92 HG LEU 92 14.247 -7.256 -1.159 707 1HD1 LEU 92 1HD1 LEU 92 12.065 -9.174 -0.352 708 2HD1 LEU 92 2HD1 LEU 92 13.774 -9.412 0.011 709 3HD1 LEU 92 3HD1 LEU 92 13.228 -9.362 -1.665 710 1HD2 LEU 92 1HD2 LEU 92 11.239 -7.093 -1.195 711 2HD2 LEU 92 2HD2 LEU 92 12.337 -7.049 -2.573 712 3HD2 LEU 92 3HD2 LEU 92 12.298 -5.705 -1.433 713 H ALA 93 H ALA 93 16.413 -5.757 0.689 714 HA ALA 93 HA ALA 93 17.441 -7.409 -1.353 715 1HB ALA 93 1HB ALA 93 18.808 -5.152 0.111 716 2HB ALA 93 2HB ALA 93 17.752 -4.970 -1.291 717 3HB ALA 93 3HB ALA 93 19.285 -5.827 -1.448 718 H GLU 94 H GLU 94 17.977 -7.255 2.053 719 HA GLU 94 HA GLU 94 20.489 -8.666 2.020 720 1HB GLU 94 1HB GLU 94 19.795 -7.024 3.797 721 2HB GLU 94 2HB GLU 94 18.621 -8.209 4.350 722 1HG GLU 94 1HG GLU 94 20.672 -8.199 5.685 723 2HG GLU 94 2HG GLU 94 20.373 -9.756 4.913 724 H THR 95 H THR 95 17.150 -9.441 2.021 725 HA THR 95 HA THR 95 17.782 -12.291 2.445 726 HB THR 95 HB THR 95 15.362 -12.535 3.121 727 HG1 THR 95 HG1 THR 95 15.526 -9.688 3.236 728 1HG2 THR 95 1HG2 THR 95 15.695 -11.631 5.406 729 2HG2 THR 95 2HG2 THR 95 17.124 -10.773 4.829 730 3HG2 THR 95 3HG2 THR 95 17.089 -12.536 4.817 731 H GLY 96 H GLY 96 17.589 -10.325 0.117 732 1HA GLY 96 1HA GLY 96 15.390 -10.838 -1.489 733 2HA GLY 96 2HA GLY 96 16.980 -10.388 -2.076 734 H THR 97 H THR 97 14.675 -12.497 -2.544 735 HA THR 97 HA THR 97 16.540 -14.545 -3.497 736 HB THR 97 HB THR 97 15.677 -15.457 -1.413 737 HG1 THR 97 HG1 THR 97 14.358 -16.686 -3.623 738 1HG2 THR 97 1HG2 THR 97 12.933 -15.051 -2.612 739 2HG2 THR 97 2HG2 THR 97 13.607 -14.161 -1.247 740 3HG2 THR 97 3HG2 THR 97 13.284 -15.888 -1.100 741 H GLY 98 H GLY 98 16.144 -15.152 -5.529 742 1HA GLY 98 1HA GLY 98 15.145 -15.293 -7.586 743 2HA GLY 98 2HA GLY 98 13.629 -15.460 -6.716 744 H PHE 99 H PHE 99 12.236 -14.132 -7.662 745 HA PHE 99 HA PHE 99 12.944 -11.701 -8.946 746 1HB PHE 99 1HB PHE 99 11.034 -12.838 -9.767 747 2HB PHE 99 2HB PHE 99 10.318 -12.957 -8.165 748 HD1 PHE 99 HD1 PHE 99 8.848 -11.323 -7.383 749 HD2 PHE 99 HD2 PHE 99 11.202 -10.556 -10.845 750 HE1 PHE 99 HE1 PHE 99 7.550 -9.277 -7.807 751 HE2 PHE 99 HE2 PHE 99 9.908 -8.508 -11.274 752 HZ PHE 99 HZ PHE 99 8.079 -7.866 -9.752 753 H ALA 100 H ALA 100 11.751 -12.493 -5.748 754 HA ALA 100 HA ALA 100 10.782 -10.093 -4.834 755 1HB ALA 100 1HB ALA 100 11.429 -10.840 -2.587 756 2HB ALA 100 2HB ALA 100 12.427 -12.103 -3.308 757 3HB ALA 100 3HB ALA 100 10.677 -12.125 -3.532 758 H ARG 101 H ARG 101 14.156 -10.983 -5.292 759 HA ARG 101 HA ARG 101 15.159 -8.713 -3.830 760 1HB ARG 101 1HB ARG 101 16.385 -10.872 -4.036 761 2HB ARG 101 2HB ARG 101 16.623 -10.510 -5.740 762 1HG ARG 101 1HG ARG 101 18.024 -8.682 -5.273 763 2HG ARG 101 2HG ARG 101 17.545 -8.650 -3.575 764 1HD ARG 101 1HD ARG 101 19.744 -9.601 -3.748 765 2HD ARG 101 2HD ARG 101 18.606 -10.863 -3.280 766 HE ARG 101 HE ARG 101 18.834 -10.897 -6.061 767 1HH1 ARG 101 1HH1 ARG 101 20.801 -11.519 -3.252 768 2HH1 ARG 101 2HH1 ARG 101 21.805 -12.681 -4.054 769 1HH2 ARG 101 1HH2 ARG 101 20.150 -12.422 -7.124 770 2HH2 ARG 101 2HH2 ARG 101 21.436 -13.193 -6.256 771 H LYS 102 H LYS 102 15.153 -9.633 -7.280 772 HA LYS 102 HA LYS 102 16.378 -7.459 -8.396 773 1HB LYS 102 1HB LYS 102 15.544 -9.420 -9.661 774 2HB LYS 102 2HB LYS 102 13.901 -8.819 -9.478 775 1HG LYS 102 1HG LYS 102 14.555 -6.782 -10.723 776 2HG LYS 102 2HG LYS 102 16.147 -7.498 -10.987 777 1HD LYS 102 1HD LYS 102 14.843 -7.906 -12.943 778 2HD LYS 102 2HD LYS 102 14.995 -9.437 -12.079 779 1HE LYS 102 1HE LYS 102 12.765 -9.076 -11.097 780 2HE LYS 102 2HE LYS 102 12.616 -7.580 -12.020 781 1HZ LYS 102 1HZ LYS 102 11.481 -9.386 -13.126 782 2HZ LYS 102 2HZ LYS 102 12.898 -10.308 -13.157 783 3HZ LYS 102 3HZ LYS 102 12.799 -8.882 -14.059 784 H VAL 103 H VAL 103 13.357 -7.594 -6.810 785 HA VAL 103 HA VAL 103 12.170 -5.239 -7.858 786 HB VAL 103 HB VAL 103 11.709 -6.834 -5.343 787 1HG1 VAL 103 1HG1 VAL 103 9.585 -5.570 -5.118 788 2HG1 VAL 103 2HG1 VAL 103 10.121 -4.490 -6.406 789 3HG1 VAL 103 3HG1 VAL 103 11.011 -4.559 -4.884 790 1HG2 VAL 103 1HG2 VAL 103 9.712 -7.605 -6.504 791 2HG2 VAL 103 2HG2 VAL 103 11.159 -7.943 -7.453 792 3HG2 VAL 103 3HG2 VAL 103 10.111 -6.594 -7.892 793 H ALA 104 H ALA 104 13.590 -5.899 -4.655 794 HA ALA 104 HA ALA 104 13.556 -3.334 -3.636 795 1HB ALA 104 1HB ALA 104 14.011 -5.176 -2.212 796 2HB ALA 104 2HB ALA 104 15.433 -4.135 -2.177 797 3HB ALA 104 3HB ALA 104 15.448 -5.617 -3.133 798 H VAL 105 H VAL 105 16.160 -4.930 -5.366 799 HA VAL 105 HA VAL 105 18.046 -2.846 -5.173 800 HB VAL 105 HB VAL 105 17.934 -5.060 -7.218 801 1HG1 VAL 105 1HG1 VAL 105 19.449 -3.294 -7.888 802 2HG1 VAL 105 2HG1 VAL 105 20.370 -4.704 -7.364 803 3HG1 VAL 105 3HG1 VAL 105 20.210 -3.308 -6.296 804 1HG2 VAL 105 1HG2 VAL 105 17.886 -5.927 -4.939 805 2HG2 VAL 105 2HG2 VAL 105 19.297 -4.953 -4.529 806 3HG2 VAL 105 3HG2 VAL 105 19.439 -6.260 -5.704 807 H ASN 106 H ASN 106 16.316 -3.960 -8.092 808 HA ASN 106 HA ASN 106 17.125 -1.887 -9.749 809 1HB ASN 106 1HB ASN 106 16.047 -3.949 -10.556 810 2HB ASN 106 2HB ASN 106 14.519 -3.417 -9.861 811 1HD2 ASN 106 1HD2 ASN 106 13.397 -1.722 -10.820 812 2HD2 ASN 106 2HD2 ASN 106 13.738 -1.192 -12.429 813 H TYR 107 H TYR 107 14.207 -2.093 -7.721 814 HA TYR 107 HA TYR 107 13.031 0.285 -8.575 815 1HB TYR 107 1HB TYR 107 11.657 -1.188 -7.353 816 2HB TYR 107 2HB TYR 107 12.823 -1.312 -6.045 817 HD1 TYR 107 HD1 TYR 107 12.790 0.108 -4.255 818 HD2 TYR 107 HD2 TYR 107 10.462 1.064 -7.665 819 HE1 TYR 107 HE1 TYR 107 11.782 1.979 -3.021 820 HE2 TYR 107 HE2 TYR 107 9.422 2.929 -6.447 821 HH TYR 107 HH TYR 107 10.650 4.118 -3.525 822 H LEU 108 H LEU 108 15.440 -0.332 -6.096 823 HA LEU 108 HA LEU 108 15.334 2.008 -4.665 824 1HB LEU 108 1HB LEU 108 17.168 1.212 -3.675 825 2HB LEU 108 2HB LEU 108 16.972 -0.173 -4.727 826 HG LEU 108 HG LEU 108 18.480 1.199 -6.366 827 1HD1 LEU 108 1HD1 LEU 108 18.940 2.522 -3.714 828 2HD1 LEU 108 2HD1 LEU 108 18.599 3.269 -5.273 829 3HD1 LEU 108 3HD1 LEU 108 20.163 2.506 -4.986 830 1HD2 LEU 108 1HD2 LEU 108 20.432 0.129 -5.449 831 2HD2 LEU 108 2HD2 LEU 108 19.046 -0.944 -5.252 832 3HD2 LEU 108 3HD2 LEU 108 19.654 -0.028 -3.875 833 H GLU 109 H GLU 109 16.418 1.559 -7.921 834 HA GLU 109 HA GLU 109 17.997 3.907 -8.140 835 1HB GLU 109 1HB GLU 109 16.574 2.266 -10.236 836 2HB GLU 109 2HB GLU 109 17.688 3.577 -10.599 837 1HG GLU 109 1HG GLU 109 19.485 2.373 -9.479 838 2HG GLU 109 2HG GLU 109 18.371 1.064 -9.090 839 H THR 110 H THR 110 14.890 3.825 -7.321 840 HA THR 110 HA THR 110 13.992 5.965 -9.100 841 HB THR 110 HB THR 110 11.790 5.702 -8.005 842 HG1 THR 110 HG1 THR 110 11.535 4.398 -6.321 843 1HG2 THR 110 1HG2 THR 110 11.256 3.509 -8.940 844 2HG2 THR 110 2HG2 THR 110 12.972 3.107 -9.002 845 3HG2 THR 110 3HG2 THR 110 12.333 4.402 -10.015 846 H HIS 111 H HIS 111 13.574 5.433 -5.590 847 HA HIS 111 HA HIS 111 13.800 8.307 -5.174 848 1HB HIS 111 1HB HIS 111 11.964 7.038 -4.073 849 2HB HIS 111 2HB HIS 111 13.169 6.128 -3.168 850 HD1 HIS 111 HD1 HIS 111 14.593 7.525 -1.408 851 HD2 HIS 111 HD2 HIS 111 11.295 9.480 -3.011 852 HE1 HIS 111 HE1 HIS 111 14.176 9.491 0.105 853 HE2 HIS 111 HE2 HIS 111 12.136 10.622 -0.847 Start of MODEL 26 1 H MET 1 H MET 1 -5.524 9.408 12.867 2 HA MET 1 HA MET 1 -6.596 7.305 12.593 3 1HB MET 1 1HB MET 1 -6.698 7.266 15.616 4 2HB MET 1 2HB MET 1 -7.462 6.093 14.553 5 1HG MET 1 1HG MET 1 -4.507 6.591 14.806 6 2HG MET 1 2HG MET 1 -5.395 5.225 15.475 7 1HE MET 1 1HE MET 1 -3.599 3.615 14.296 8 2HE MET 1 2HE MET 1 -2.782 5.012 13.593 9 3HE MET 1 3HE MET 1 -3.248 3.655 12.567 10 H ALA 2 H ALA 2 -7.060 10.265 14.018 11 HA ALA 2 HA ALA 2 -9.935 10.074 14.334 12 1HB ALA 2 1HB ALA 2 -9.818 12.436 14.953 13 2HB ALA 2 2HB ALA 2 -8.109 12.468 14.517 14 3HB ALA 2 3HB ALA 2 -8.656 11.474 15.868 15 H ASP 3 H ASP 3 -11.392 11.552 13.196 16 HA ASP 3 HA ASP 3 -12.344 12.364 11.303 17 1HB ASP 3 1HB ASP 3 -9.479 13.150 10.761 18 2HB ASP 3 2HB ASP 3 -10.818 13.614 9.716 19 H GLU 4 H GLU 4 -12.309 12.185 8.828 20 HA GLU 4 HA GLU 4 -12.460 10.830 7.010 21 1HB GLU 4 1HB GLU 4 -9.827 9.732 8.013 22 2HB GLU 4 2HB GLU 4 -10.466 9.569 6.383 23 1HG GLU 4 1HG GLU 4 -9.653 12.134 7.730 24 2HG GLU 4 2HG GLU 4 -8.763 11.281 6.470 25 H ASN 5 H ASN 5 -13.298 9.882 9.794 26 HA ASN 5 HA ASN 5 -13.659 7.054 9.055 27 1HB ASN 5 1HB ASN 5 -13.570 6.463 11.439 28 2HB ASN 5 2HB ASN 5 -12.066 7.213 10.914 29 1HD2 ASN 5 1HD2 ASN 5 -13.221 6.984 13.581 30 2HD2 ASN 5 2HD2 ASN 5 -13.367 8.599 14.179 31 H LYS 6 H LYS 6 -14.973 9.966 10.441 32 HA LYS 6 HA LYS 6 -17.440 8.902 11.332 33 1HB LYS 6 1HB LYS 6 -16.808 11.723 10.448 34 2HB LYS 6 2HB LYS 6 -18.195 11.228 11.407 35 1HG LYS 6 1HG LYS 6 -16.712 10.545 13.219 36 2HG LYS 6 2HG LYS 6 -15.312 11.014 12.253 37 1HD LYS 6 1HD LYS 6 -15.813 12.775 13.823 38 2HD LYS 6 2HD LYS 6 -16.186 13.334 12.192 39 1HE LYS 6 1HE LYS 6 -17.923 13.982 13.792 40 2HE LYS 6 2HE LYS 6 -18.548 12.887 12.559 41 1HZ LYS 6 1HZ LYS 6 -19.332 12.308 14.779 42 2HZ LYS 6 2HZ LYS 6 -17.738 12.093 15.304 43 3HZ LYS 6 3HZ LYS 6 -18.384 11.067 14.124 44 H TRP 7 H TRP 7 -16.208 9.533 8.222 45 HA TRP 7 HA TRP 7 -18.919 9.446 7.067 46 1HB TRP 7 1HB TRP 7 -16.432 10.412 5.655 47 2HB TRP 7 2HB TRP 7 -18.107 10.626 5.159 48 HD1 TRP 7 HD1 TRP 7 -15.387 12.268 7.127 49 HE1 TRP 7 HE1 TRP 7 -16.264 14.440 8.191 50 HE3 TRP 7 HE3 TRP 7 -20.386 11.631 6.265 51 HZ2 TRP 7 HZ2 TRP 7 -18.747 15.716 8.609 52 HZ3 TRP 7 HZ3 TRP 7 -21.945 13.375 7.031 53 HH2 TRP 7 HH2 TRP 7 -21.142 15.374 8.179 54 H VAL 8 H VAL 8 -17.575 7.107 7.944 55 HA VAL 8 HA VAL 8 -16.260 5.801 5.785 56 HB VAL 8 HB VAL 8 -15.913 5.087 8.094 57 1HG1 VAL 8 1HG1 VAL 8 -17.655 3.822 9.286 58 2HG1 VAL 8 2HG1 VAL 8 -18.796 4.203 7.998 59 3HG1 VAL 8 3HG1 VAL 8 -18.126 5.495 8.994 60 1HG2 VAL 8 1HG2 VAL 8 -17.177 2.973 6.353 61 2HG2 VAL 8 2HG2 VAL 8 -16.163 2.654 7.760 62 3HG2 VAL 8 3HG2 VAL 8 -15.485 3.469 6.351 63 H ARG 9 H ARG 9 -17.016 4.328 4.313 64 HA ARG 9 HA ARG 9 -18.445 3.201 2.954 65 1HB ARG 9 1HB ARG 9 -19.434 2.472 5.236 66 2HB ARG 9 2HB ARG 9 -20.702 3.641 4.890 67 1HG ARG 9 1HG ARG 9 -21.251 2.464 2.834 68 2HG ARG 9 2HG ARG 9 -19.956 1.306 3.142 69 1HD ARG 9 1HD ARG 9 -21.082 0.632 5.223 70 2HD ARG 9 2HD ARG 9 -22.389 1.761 4.867 71 HE ARG 9 HE ARG 9 -22.053 0.018 2.688 72 1HH1 ARG 9 1HH1 ARG 9 -23.177 0.007 5.986 73 2HH1 ARG 9 2HH1 ARG 9 -24.280 -1.306 5.740 74 1HH2 ARG 9 1HH2 ARG 9 -23.502 -1.709 2.356 75 2HH2 ARG 9 2HH2 ARG 9 -24.464 -2.282 3.677 76 H ARG 10 H ARG 10 -18.432 6.296 3.540 77 HA ARG 10 HA ARG 10 -20.831 7.319 2.506 78 1HB ARG 10 1HB ARG 10 -19.318 8.798 3.621 79 2HB ARG 10 2HB ARG 10 -18.006 8.385 2.527 80 1HG ARG 10 1HG ARG 10 -19.129 9.512 0.708 81 2HG ARG 10 2HG ARG 10 -20.508 9.866 1.752 82 1HD ARG 10 1HD ARG 10 -19.028 11.176 3.222 83 2HD ARG 10 2HD ARG 10 -17.683 10.858 2.129 84 HE ARG 10 HE ARG 10 -19.855 12.044 0.743 85 1HH1 ARG 10 1HH1 ARG 10 -17.256 12.773 2.948 86 2HH1 ARG 10 2HH1 ARG 10 -17.125 14.427 2.450 87 1HH2 ARG 10 1HH2 ARG 10 -19.689 14.222 0.081 88 2HH2 ARG 10 2HH2 ARG 10 -18.507 15.249 0.822 89 H ASP 11 H ASP 11 -21.639 6.558 0.646 90 HA ASP 11 HA ASP 11 -21.897 6.219 -1.589 91 1HB ASP 11 1HB ASP 11 -19.266 7.687 -1.703 92 2HB ASP 11 2HB ASP 11 -20.104 7.120 -3.142 93 H VAL 12 H VAL 12 -19.768 4.729 0.333 94 HA VAL 12 HA VAL 12 -18.536 3.040 -1.705 95 HB VAL 12 HB VAL 12 -18.206 2.736 1.272 96 1HG1 VAL 12 1HG1 VAL 12 -17.359 0.897 -0.019 97 2HG1 VAL 12 2HG1 VAL 12 -15.996 1.838 0.589 98 3HG1 VAL 12 3HG1 VAL 12 -16.496 1.996 -1.095 99 1HG2 VAL 12 1HG2 VAL 12 -16.209 4.176 1.093 100 2HG2 VAL 12 2HG2 VAL 12 -17.708 5.051 0.784 101 3HG2 VAL 12 3HG2 VAL 12 -16.671 4.575 -0.561 102 H SER 13 H SER 13 -18.549 0.630 -1.253 103 HA SER 13 HA SER 13 -20.821 -0.411 0.181 104 1HB SER 13 1HB SER 13 -21.871 0.286 -1.932 105 2HB SER 13 2HB SER 13 -20.708 -0.691 -2.830 106 HG SER 13 HG SER 13 -21.725 -2.473 -2.245 107 H THR 14 H THR 14 -18.173 -1.000 -2.081 108 HA THR 14 HA THR 14 -18.010 -3.802 -1.604 109 HB THR 14 HB THR 14 -17.057 -2.772 -3.628 110 HG1 THR 14 HG1 THR 14 -15.675 -4.377 -3.648 111 1HG2 THR 14 1HG2 THR 14 -16.211 -0.706 -2.570 112 2HG2 THR 14 2HG2 THR 14 -14.975 -1.521 -3.527 113 3HG2 THR 14 3HG2 THR 14 -14.955 -1.650 -1.769 114 H ALA 15 H ALA 15 -16.147 -4.887 -0.549 115 HA ALA 15 HA ALA 15 -15.576 -3.542 1.983 116 1HB ALA 15 1HB ALA 15 -15.174 -6.427 1.219 117 2HB ALA 15 2HB ALA 15 -16.580 -5.769 2.057 118 3HB ALA 15 3HB ALA 15 -14.997 -5.736 2.833 119 H LEU 16 H LEU 16 -13.645 -5.819 -0.005 120 HA LEU 16 HA LEU 16 -11.241 -4.515 0.948 121 1HB LEU 16 1HB LEU 16 -10.136 -6.341 -0.492 122 2HB LEU 16 2HB LEU 16 -10.945 -6.789 0.997 123 HG LEU 16 HG LEU 16 -12.972 -7.360 -0.449 124 1HD1 LEU 16 1HD1 LEU 16 -12.608 -6.378 -2.510 125 2HD1 LEU 16 2HD1 LEU 16 -12.164 -8.058 -2.809 126 3HD1 LEU 16 3HD1 LEU 16 -10.910 -6.847 -2.550 127 1HD2 LEU 16 1HD2 LEU 16 -11.551 -9.049 0.577 128 2HD2 LEU 16 2HD2 LEU 16 -10.430 -8.947 -0.782 129 3HD2 LEU 16 3HD2 LEU 16 -12.066 -9.556 -1.032 130 H SER 17 H SER 17 -13.056 -4.683 -2.046 131 HA SER 17 HA SER 17 -11.096 -3.892 -3.849 132 1HB SER 17 1HB SER 17 -13.371 -4.592 -4.513 133 2HB SER 17 2HB SER 17 -14.007 -3.074 -3.885 134 HG SER 17 HG SER 17 -11.922 -2.942 -5.731 135 H ARG 18 H ARG 18 -13.169 -1.880 -1.786 136 HA ARG 18 HA ARG 18 -11.190 0.151 -1.595 137 1HB ARG 18 1HB ARG 18 -12.110 0.582 -3.892 138 2HB ARG 18 2HB ARG 18 -13.668 0.913 -3.148 139 1HG ARG 18 1HG ARG 18 -12.647 2.748 -1.870 140 2HG ARG 18 2HG ARG 18 -11.111 2.434 -2.679 141 1HD ARG 18 1HD ARG 18 -12.254 4.279 -3.753 142 2HD ARG 18 2HD ARG 18 -12.177 2.897 -4.846 143 HE ARG 18 HE ARG 18 -14.570 2.511 -3.848 144 1HH1 ARG 18 1HH1 ARG 18 -13.088 5.528 -4.775 145 2HH1 ARG 18 2HH1 ARG 18 -14.591 6.285 -5.192 146 1HH2 ARG 18 1HH2 ARG 18 -16.549 3.500 -4.392 147 2HH2 ARG 18 2HH2 ARG 18 -16.557 5.131 -4.974 148 H MET 19 H MET 19 -11.409 0.532 0.505 149 HA MET 19 HA MET 19 -14.065 1.277 1.523 150 1HB MET 19 1HB MET 19 -12.363 -0.930 2.402 151 2HB MET 19 2HB MET 19 -12.804 0.156 3.714 152 1HG MET 19 1HG MET 19 -14.764 -1.139 1.835 153 2HG MET 19 2HG MET 19 -14.346 -1.752 3.435 154 1HE MET 19 1HE MET 19 -17.364 -0.987 2.356 155 2HE MET 19 2HE MET 19 -17.996 -0.321 3.862 156 3HE MET 19 3HE MET 19 -16.984 -1.765 3.893 157 H GLY 20 H GLY 20 -10.560 1.420 1.908 158 1HA GLY 20 1HA GLY 20 -9.456 3.517 2.232 159 2HA GLY 20 2HA GLY 20 -10.886 4.103 3.067 160 H ASP 21 H ASP 21 -11.253 3.469 5.229 161 HA ASP 21 HA ASP 21 -8.903 2.297 6.564 162 1HB ASP 21 1HB ASP 21 -10.612 4.605 7.521 163 2HB ASP 21 2HB ASP 21 -9.337 3.837 8.464 164 H GLU 22 H GLU 22 -11.800 1.456 5.719 165 HA GLU 22 HA GLU 22 -12.748 0.560 8.346 166 1HB GLU 22 1HB GLU 22 -14.253 1.706 6.602 167 2HB GLU 22 2HB GLU 22 -14.174 0.190 5.718 168 1HG GLU 22 1HG GLU 22 -15.205 0.519 8.528 169 2HG GLU 22 2HG GLU 22 -16.197 0.382 7.077 170 H ALA 23 H ALA 23 -11.924 -0.694 5.127 171 HA ALA 23 HA ALA 23 -11.850 -3.402 6.266 172 1HB ALA 23 1HB ALA 23 -13.337 -3.146 4.357 173 2HB ALA 23 2HB ALA 23 -11.993 -4.223 3.976 174 3HB ALA 23 3HB ALA 23 -11.991 -2.564 3.376 175 H PHE 24 H PHE 24 -9.757 -1.077 6.125 176 HA PHE 24 HA PHE 24 -7.613 -1.950 4.546 177 1HB PHE 24 1HB PHE 24 -8.023 0.257 5.968 178 2HB PHE 24 2HB PHE 24 -7.073 -0.621 7.161 179 HD1 PHE 24 HD1 PHE 24 -6.585 1.950 5.296 180 HD2 PHE 24 HD2 PHE 24 -5.193 -2.065 5.367 181 HE1 PHE 24 HE1 PHE 24 -4.533 2.644 4.149 182 HE2 PHE 24 HE2 PHE 24 -3.139 -1.378 4.225 183 HZ PHE 24 HZ PHE 24 -2.799 0.982 3.608 184 H GLU 25 H GLU 25 -8.283 -2.484 7.989 185 HA GLU 25 HA GLU 25 -6.078 -4.152 8.482 186 1HB GLU 25 1HB GLU 25 -8.588 -3.485 9.879 187 2HB GLU 25 2HB GLU 25 -7.843 -5.016 10.303 188 1HG GLU 25 1HG GLU 25 -5.752 -3.851 10.823 189 2HG GLU 25 2HG GLU 25 -6.520 -2.317 10.417 190 HA PRO 26 HA PRO 26 -9.461 -7.859 7.958 191 1HB PRO 26 1HB PRO 26 -10.535 -6.477 5.520 192 2HB PRO 26 2HB PRO 26 -11.326 -7.651 6.581 193 1HG PRO 26 1HG PRO 26 -11.836 -5.043 6.794 194 2HG PRO 26 2HG PRO 26 -11.744 -6.081 8.227 195 1HD PRO 26 1HD PRO 26 -9.853 -4.015 7.276 196 2HD PRO 26 2HD PRO 26 -10.108 -4.644 8.913 197 H LEU 27 H LEU 27 -7.883 -5.833 5.616 198 HA LEU 27 HA LEU 27 -7.175 -7.870 3.757 199 1HB LEU 27 1HB LEU 27 -6.198 -5.082 4.306 200 2HB LEU 27 2HB LEU 27 -5.559 -6.061 2.991 201 HG LEU 27 HG LEU 27 -8.493 -5.427 3.242 202 1HD1 LEU 27 1HD1 LEU 27 -7.377 -3.305 3.144 203 2HD1 LEU 27 2HD1 LEU 27 -8.092 -3.649 1.568 204 3HD1 LEU 27 3HD1 LEU 27 -6.358 -3.857 1.814 205 1HD2 LEU 27 1HD2 LEU 27 -8.516 -5.949 0.865 206 2HD2 LEU 27 2HD2 LEU 27 -7.875 -7.303 1.795 207 3HD2 LEU 27 3HD2 LEU 27 -6.779 -6.249 0.902 208 H LEU 28 H LEU 28 -5.315 -6.012 6.152 209 HA LEU 28 HA LEU 28 -2.936 -7.503 5.955 210 1HB LEU 28 1HB LEU 28 -2.806 -5.351 6.924 211 2HB LEU 28 2HB LEU 28 -4.093 -5.693 8.062 212 HG LEU 28 HG LEU 28 -2.566 -7.288 9.229 213 1HD1 LEU 28 1HD1 LEU 28 -0.454 -6.079 7.452 214 2HD1 LEU 28 2HD1 LEU 28 -1.081 -7.721 7.310 215 3HD1 LEU 28 3HD1 LEU 28 -0.202 -7.236 8.759 216 1HD2 LEU 28 1HD2 LEU 28 -1.508 -4.473 9.003 217 2HD2 LEU 28 2HD2 LEU 28 -1.301 -5.577 10.363 218 3HD2 LEU 28 3HD2 LEU 28 -2.902 -4.955 9.969 219 H GLU 29 H GLU 29 -5.925 -8.096 7.533 220 HA GLU 29 HA GLU 29 -4.873 -10.048 9.377 221 1HB GLU 29 1HB GLU 29 -6.844 -8.673 9.961 222 2HB GLU 29 2HB GLU 29 -7.737 -9.416 8.642 223 1HG GLU 29 1HG GLU 29 -8.351 -10.423 10.746 224 2HG GLU 29 2HG GLU 29 -7.521 -11.598 9.727 225 H SER 30 H SER 30 -6.453 -9.936 6.265 226 HA SER 30 HA SER 30 -7.068 -12.682 6.026 227 1HB SER 30 1HB SER 30 -8.052 -10.875 4.610 228 2HB SER 30 2HB SER 30 -6.495 -10.716 3.797 229 HG SER 30 HG SER 30 -7.685 -13.245 3.951 230 H LEU 31 H LEU 31 -4.117 -10.997 5.925 231 HA LEU 31 HA LEU 31 -2.658 -12.565 4.098 232 1HB LEU 31 1HB LEU 31 -1.662 -11.114 6.551 233 2HB LEU 31 2HB LEU 31 -0.660 -11.708 5.243 234 HG LEU 31 HG LEU 31 -2.719 -9.508 5.054 235 1HD1 LEU 31 1HD1 LEU 31 -0.882 -8.029 4.773 236 2HD1 LEU 31 2HD1 LEU 31 0.265 -9.365 4.696 237 3HD1 LEU 31 3HD1 LEU 31 -0.556 -8.996 6.212 238 1HD2 LEU 31 1HD2 LEU 31 -1.894 -9.218 2.756 239 2HD2 LEU 31 2HD2 LEU 31 -2.672 -10.784 2.990 240 3HD2 LEU 31 3HD2 LEU 31 -0.912 -10.672 2.938 241 H SER 32 H SER 32 -3.967 -13.347 7.106 242 HA SER 32 HA SER 32 -2.039 -15.510 7.565 243 1HB SER 32 1HB SER 32 -3.105 -15.754 9.763 244 2HB SER 32 2HB SER 32 -2.595 -14.087 9.500 245 HG SER 32 HG SER 32 -5.223 -15.031 9.011 246 H ASN 33 H ASN 33 -4.186 -15.390 5.444 247 HA ASN 33 HA ASN 33 -6.040 -17.464 6.236 248 1HB ASN 33 1HB ASN 33 -6.620 -15.517 4.708 249 2HB ASN 33 2HB ASN 33 -5.663 -16.320 3.467 250 1HD2 ASN 33 1HD2 ASN 33 -7.618 -17.955 5.860 251 2HD2 ASN 33 2HD2 ASN 33 -8.785 -18.585 4.755 252 H GLU 34 H GLU 34 -6.138 -19.538 5.393 253 HA GLU 34 HA GLU 34 -3.674 -20.807 4.886 254 1HB GLU 34 1HB GLU 34 -5.740 -21.802 5.957 255 2HB GLU 34 2HB GLU 34 -6.419 -21.931 4.341 256 1HG GLU 34 1HG GLU 34 -4.499 -23.337 3.695 257 2HG GLU 34 2HG GLU 34 -3.936 -23.272 5.364 258 H ASP 35 H ASP 35 -5.962 -19.292 2.813 259 HA ASP 35 HA ASP 35 -5.158 -20.739 0.442 260 1HB ASP 35 1HB ASP 35 -6.888 -18.275 0.736 261 2HB ASP 35 2HB ASP 35 -6.679 -19.209 -0.742 262 H TRP 36 H TRP 36 -4.369 -19.567 -1.487 263 HA TRP 36 HA TRP 36 -2.287 -17.652 -0.705 264 1HB TRP 36 1HB TRP 36 -1.343 -18.281 -3.009 265 2HB TRP 36 2HB TRP 36 -1.277 -19.504 -1.745 266 HD1 TRP 36 HD1 TRP 36 -3.249 -18.636 -4.943 267 HE1 TRP 36 HE1 TRP 36 -4.303 -20.802 -5.849 268 HE3 TRP 36 HE3 TRP 36 -1.997 -21.814 -1.136 269 HZ2 TRP 36 HZ2 TRP 36 -4.569 -23.489 -5.064 270 HZ3 TRP 36 HZ3 TRP 36 -2.694 -24.169 -1.295 271 HH2 TRP 36 HH2 TRP 36 -3.954 -24.985 -3.222 272 H ARG 37 H ARG 37 -4.858 -18.183 -3.071 273 HA ARG 37 HA ARG 37 -4.472 -15.880 -4.609 274 1HB ARG 37 1HB ARG 37 -5.904 -17.783 -5.267 275 2HB ARG 37 2HB ARG 37 -7.059 -17.325 -4.023 276 1HG ARG 37 1HG ARG 37 -7.256 -15.104 -5.186 277 2HG ARG 37 2HG ARG 37 -6.327 -15.811 -6.507 278 1HD ARG 37 1HD ARG 37 -8.034 -17.599 -6.689 279 2HD ARG 37 2HD ARG 37 -8.981 -16.775 -5.450 280 HE ARG 37 HE ARG 37 -8.290 -15.399 -7.953 281 1HH1 ARG 37 1HH1 ARG 37 -10.666 -16.650 -5.730 282 2HH1 ARG 37 2HH1 ARG 37 -11.999 -15.878 -6.522 283 1HH2 ARG 37 1HH2 ARG 37 -10.040 -14.381 -9.000 284 2HH2 ARG 37 2HH2 ARG 37 -11.644 -14.588 -8.381 285 H ILE 38 H ILE 38 -6.035 -16.378 -1.537 286 HA ILE 38 HA ILE 38 -7.398 -13.850 -1.521 287 HB ILE 38 HB ILE 38 -6.817 -15.644 0.833 288 1HG1 ILE 38 1HG1 ILE 38 -7.936 -16.924 -0.932 289 2HG1 ILE 38 2HG1 ILE 38 -9.026 -16.646 0.420 290 1HG2 ILE 38 1HG2 ILE 38 -8.951 -13.565 0.372 291 2HG2 ILE 38 2HG2 ILE 38 -7.550 -13.406 1.431 292 3HG2 ILE 38 3HG2 ILE 38 -8.804 -14.590 1.800 293 1HD1 ILE 38 1HD1 ILE 38 -9.014 -15.121 -2.175 294 2HD1 ILE 38 2HD1 ILE 38 -10.112 -14.852 -0.822 295 3HD1 ILE 38 3HD1 ILE 38 -10.161 -16.376 -1.707 296 H ARG 39 H ARG 39 -4.447 -15.157 -0.060 297 HA ARG 39 HA ARG 39 -3.815 -12.919 1.522 298 1HB ARG 39 1HB ARG 39 -2.778 -15.133 1.819 299 2HB ARG 39 2HB ARG 39 -1.943 -14.943 0.283 300 1HG ARG 39 1HG ARG 39 -0.670 -13.091 1.152 301 2HG ARG 39 2HG ARG 39 -1.573 -13.141 2.666 302 1HD ARG 39 1HD ARG 39 0.227 -15.307 1.589 303 2HD ARG 39 2HD ARG 39 0.600 -14.207 2.916 304 HE ARG 39 HE ARG 39 -1.733 -15.463 3.642 305 1HH1 ARG 39 1HH1 ARG 39 1.494 -16.472 2.796 306 2HH1 ARG 39 2HH1 ARG 39 1.456 -17.878 3.805 307 1HH2 ARG 39 1HH2 ARG 39 -1.788 -17.310 4.975 308 2HH2 ARG 39 2HH2 ARG 39 -0.408 -18.356 5.044 309 H GLY 40 H GLY 40 -2.856 -13.788 -1.784 310 1HA GLY 40 1HA GLY 40 -1.106 -11.613 -2.194 311 2HA GLY 40 2HA GLY 40 -1.885 -12.550 -3.457 312 H ALA 41 H ALA 41 -4.436 -12.029 -3.403 313 HA ALA 41 HA ALA 41 -4.799 -9.579 -4.573 314 1HB ALA 41 1HB ALA 41 -6.432 -11.358 -4.748 315 2HB ALA 41 2HB ALA 41 -7.207 -9.884 -4.169 316 3HB ALA 41 3HB ALA 41 -6.837 -11.188 -3.041 317 H ALA 42 H ALA 42 -4.749 -10.332 -1.169 318 HA ALA 42 HA ALA 42 -6.021 -8.015 -0.195 319 1HB ALA 42 1HB ALA 42 -5.092 -8.574 1.936 320 2HB ALA 42 2HB ALA 42 -3.845 -9.573 1.190 321 3HB ALA 42 3HB ALA 42 -5.533 -10.078 1.126 322 H ALA 43 H ALA 43 -2.569 -8.751 -0.656 323 HA ALA 43 HA ALA 43 -1.706 -6.123 0.071 324 1HB ALA 43 1HB ALA 43 -0.302 -8.444 -1.206 325 2HB ALA 43 2HB ALA 43 -0.199 -7.896 0.467 326 3HB ALA 43 3HB ALA 43 0.494 -6.917 -0.827 327 H TRP 44 H TRP 44 -2.709 -7.654 -2.871 328 HA TRP 44 HA TRP 44 -1.430 -6.025 -4.752 329 1HB TRP 44 1HB TRP 44 -3.748 -7.848 -4.734 330 2HB TRP 44 2HB TRP 44 -3.752 -6.637 -6.012 331 HD1 TRP 44 HD1 TRP 44 -1.413 -9.398 -4.625 332 HE1 TRP 44 HE1 TRP 44 -0.022 -10.314 -6.584 333 HE3 TRP 44 HE3 TRP 44 -3.042 -6.262 -8.320 334 HZ2 TRP 44 HZ2 TRP 44 0.342 -9.782 -9.331 335 HZ3 TRP 44 HZ3 TRP 44 -2.123 -6.532 -10.586 336 HH2 TRP 44 HH2 TRP 44 -0.465 -8.257 -11.079 337 H ILE 45 H ILE 45 -4.419 -5.569 -2.951 338 HA ILE 45 HA ILE 45 -4.894 -3.005 -4.288 339 HB ILE 45 HB ILE 45 -6.661 -4.505 -2.348 340 1HG1 ILE 45 1HG1 ILE 45 -6.319 -5.720 -4.474 341 2HG1 ILE 45 2HG1 ILE 45 -7.977 -5.158 -4.290 342 1HG2 ILE 45 1HG2 ILE 45 -8.428 -2.986 -3.164 343 2HG2 ILE 45 2HG2 ILE 45 -7.208 -2.095 -4.076 344 3HG2 ILE 45 3HG2 ILE 45 -7.135 -2.142 -2.314 345 1HD1 ILE 45 1HD1 ILE 45 -5.854 -3.854 -5.977 346 2HD1 ILE 45 2HD1 ILE 45 -7.520 -3.301 -5.801 347 3HD1 ILE 45 3HD1 ILE 45 -7.181 -4.856 -6.562 348 H ILE 46 H ILE 46 -3.699 -4.312 -1.349 349 HA ILE 46 HA ILE 46 -4.409 -2.327 0.483 350 HB ILE 46 HB ILE 46 -3.193 -4.651 0.783 351 1HG1 ILE 46 1HG1 ILE 46 -2.522 -2.402 2.675 352 2HG1 ILE 46 2HG1 ILE 46 -4.158 -3.034 2.502 353 1HG2 ILE 46 1HG2 ILE 46 -0.878 -2.730 0.977 354 2HG2 ILE 46 2HG2 ILE 46 -1.110 -3.904 -0.317 355 3HG2 ILE 46 3HG2 ILE 46 -0.855 -4.456 1.338 356 1HD1 ILE 46 1HD1 ILE 46 -1.749 -4.636 3.323 357 2HD1 ILE 46 2HD1 ILE 46 -3.407 -5.226 3.207 358 3HD1 ILE 46 3HD1 ILE 46 -2.987 -4.006 4.409 359 H GLY 47 H GLY 47 -1.701 -2.419 -1.806 360 1HA GLY 47 1HA GLY 47 -0.340 -0.183 -0.680 361 2HA GLY 47 2HA GLY 47 -0.074 -0.858 -2.278 362 H ASN 48 H ASN 48 -3.239 -0.298 -2.348 363 HA ASN 48 HA ASN 48 -2.977 2.020 -3.971 364 1HB ASN 48 1HB ASN 48 -5.363 0.492 -2.950 365 2HB ASN 48 2HB ASN 48 -5.526 1.926 -3.958 366 1HD2 ASN 48 1HD2 ASN 48 -2.896 -0.341 -4.317 367 2HD2 ASN 48 2HD2 ASN 48 -3.403 -0.986 -5.836 368 H PHE 49 H PHE 49 -3.726 1.568 -0.590 369 HA PHE 49 HA PHE 49 -4.847 4.230 -0.326 370 1HB PHE 49 1HB PHE 49 -4.187 2.203 1.812 371 2HB PHE 49 2HB PHE 49 -5.138 3.669 2.029 372 HD1 PHE 49 HD1 PHE 49 -7.039 3.766 -0.029 373 HD2 PHE 49 HD2 PHE 49 -5.476 0.320 1.918 374 HE1 PHE 49 HE1 PHE 49 -9.084 2.524 -0.596 375 HE2 PHE 49 HE2 PHE 49 -7.519 -0.929 1.353 376 HZ PHE 49 HZ PHE 49 -9.326 0.171 0.094 377 H GLN 50 H GLN 50 -1.770 2.677 0.144 378 HA GLN 50 HA GLN 50 0.276 3.455 0.751 379 1HB GLN 50 1HB GLN 50 -1.060 6.028 -0.034 380 2HB GLN 50 2HB GLN 50 0.587 6.007 0.575 381 1HG GLN 50 1HG GLN 50 0.990 5.904 -1.656 382 2HG GLN 50 2HG GLN 50 0.913 4.185 -1.277 383 1HE2 GLN 50 1HE2 GLN 50 -1.913 6.228 -1.363 384 2HE2 GLN 50 2HE2 GLN 50 -2.611 5.541 -2.786 385 H ASP 51 H ASP 51 -0.807 2.663 2.902 386 HA ASP 51 HA ASP 51 -0.399 4.820 4.864 387 1HB ASP 51 1HB ASP 51 -2.832 4.061 4.558 388 2HB ASP 51 2HB ASP 51 -2.332 2.554 5.319 389 H GLU 52 H GLU 52 -0.149 3.718 7.161 390 HA GLU 52 HA GLU 52 2.256 2.252 7.089 391 1HB GLU 52 1HB GLU 52 0.328 2.575 9.396 392 2HB GLU 52 2HB GLU 52 2.009 2.077 9.517 393 1HG GLU 52 1HG GLU 52 1.058 4.748 8.508 394 2HG GLU 52 2HG GLU 52 1.669 4.426 10.129 395 H ARG 53 H ARG 53 -1.098 1.292 7.410 396 HA ARG 53 HA ARG 53 -0.638 -1.390 8.214 397 1HB ARG 53 1HB ARG 53 -2.992 -0.113 6.816 398 2HB ARG 53 2HB ARG 53 -2.991 -1.751 7.452 399 1HG ARG 53 1HG ARG 53 -2.307 0.495 9.272 400 2HG ARG 53 2HG ARG 53 -3.990 0.237 8.819 401 1HD ARG 53 1HD ARG 53 -3.664 -0.973 10.818 402 2HD ARG 53 2HD ARG 53 -3.673 -2.169 9.523 403 HE ARG 53 HE ARG 53 -1.051 -1.632 9.802 404 1HH1 ARG 53 1HH1 ARG 53 -3.543 -2.453 12.097 405 2HH1 ARG 53 2HH1 ARG 53 -2.456 -3.245 13.188 406 1HH2 ARG 53 1HH2 ARG 53 0.387 -2.672 11.235 407 2HH2 ARG 53 2HH2 ARG 53 -0.221 -3.368 12.699 408 H ALA 54 H ALA 54 -0.064 0.177 5.302 409 HA ALA 54 HA ALA 54 -0.367 -2.294 3.730 410 1HB ALA 54 1HB ALA 54 -0.213 -0.846 1.747 411 2HB ALA 54 2HB ALA 54 -0.066 0.560 2.802 412 3HB ALA 54 3HB ALA 54 -1.551 -0.392 2.802 413 H VAL 55 H VAL 55 1.857 -1.095 5.595 414 HA VAL 55 HA VAL 55 4.109 -1.115 3.755 415 HB VAL 55 HB VAL 55 4.061 -0.693 6.743 416 1HG1 VAL 55 1HG1 VAL 55 6.311 0.119 6.504 417 2HG1 VAL 55 2HG1 VAL 55 6.246 -0.116 4.758 418 3HG1 VAL 55 3HG1 VAL 55 6.212 -1.509 5.836 419 1HG2 VAL 55 1HG2 VAL 55 2.838 1.056 5.587 420 2HG2 VAL 55 2HG2 VAL 55 4.188 1.292 4.474 421 3HG2 VAL 55 3HG2 VAL 55 4.376 1.683 6.184 422 H GLU 56 H GLU 56 3.292 -2.797 6.807 423 HA GLU 56 HA GLU 56 5.361 -4.674 6.651 424 1HB GLU 56 1HB GLU 56 4.161 -4.217 8.727 425 2HB GLU 56 2HB GLU 56 2.698 -4.923 8.050 426 1HG GLU 56 1HG GLU 56 3.705 -7.091 7.963 427 2HG GLU 56 2HG GLU 56 5.272 -6.433 8.433 428 HA PRO 57 HA PRO 57 1.716 -7.629 4.839 429 1HB PRO 57 1HB PRO 57 0.935 -5.461 2.931 430 2HB PRO 57 2HB PRO 57 -0.026 -6.803 3.563 431 1HG PRO 57 1HG PRO 57 -0.318 -4.358 4.556 432 2HG PRO 57 2HG PRO 57 -0.352 -5.777 5.618 433 1HD PRO 57 1HD PRO 57 1.771 -3.730 5.262 434 2HD PRO 57 2HD PRO 57 1.354 -4.690 6.696 435 H LEU 58 H LEU 58 3.203 -5.078 2.843 436 HA LEU 58 HA LEU 58 3.821 -6.716 0.667 437 1HB LEU 58 1HB LEU 58 5.453 -4.337 1.524 438 2HB LEU 58 2HB LEU 58 5.256 -4.973 -0.096 439 HG LEU 58 HG LEU 58 3.308 -3.377 1.531 440 1HD1 LEU 58 1HD1 LEU 58 4.907 -2.177 0.142 441 2HD1 LEU 58 2HD1 LEU 58 3.257 -1.974 -0.444 442 3HD1 LEU 58 3HD1 LEU 58 4.357 -3.079 -1.270 443 1HD2 LEU 58 1HD2 LEU 58 2.698 -5.068 -0.884 444 2HD2 LEU 58 2HD2 LEU 58 1.652 -3.783 -0.283 445 3HD2 LEU 58 3HD2 LEU 58 1.977 -5.196 0.721 446 H ILE 59 H ILE 59 5.600 -6.071 3.636 447 HA ILE 59 HA ILE 59 8.068 -7.159 2.883 448 HB ILE 59 HB ILE 59 6.774 -7.004 5.601 449 1HG1 ILE 59 1HG1 ILE 59 7.200 -4.836 4.531 450 2HG1 ILE 59 2HG1 ILE 59 8.253 -5.075 5.921 451 1HG2 ILE 59 1HG2 ILE 59 9.072 -7.309 6.494 452 2HG2 ILE 59 2HG2 ILE 59 9.606 -7.725 4.866 453 3HG2 ILE 59 3HG2 ILE 59 8.425 -8.740 5.693 454 1HD1 ILE 59 1HD1 ILE 59 10.049 -5.771 4.338 455 2HD1 ILE 59 2HD1 ILE 59 9.533 -4.094 4.178 456 3HD1 ILE 59 3HD1 ILE 59 8.982 -5.299 3.014 457 H LYS 60 H LYS 60 5.557 -8.702 4.880 458 HA LYS 60 HA LYS 60 6.775 -11.265 4.771 459 1HB LYS 60 1HB LYS 60 4.646 -12.032 5.810 460 2HB LYS 60 2HB LYS 60 5.405 -10.685 6.650 461 1HG LYS 60 1HG LYS 60 3.647 -9.355 6.325 462 2HG LYS 60 2HG LYS 60 3.512 -9.817 4.626 463 1HD LYS 60 1HD LYS 60 1.501 -10.478 5.759 464 2HD LYS 60 2HD LYS 60 2.418 -11.927 5.342 465 1HE LYS 60 1HE LYS 60 3.252 -12.084 7.615 466 2HE LYS 60 2HE LYS 60 2.433 -10.583 8.043 467 1HZ LYS 60 1HZ LYS 60 0.319 -11.632 7.678 468 2HZ LYS 60 2HZ LYS 60 1.217 -12.580 8.753 469 3HZ LYS 60 3HZ LYS 60 1.059 -13.055 7.137 470 H LEU 61 H LEU 61 4.924 -9.605 2.480 471 HA LEU 61 HA LEU 61 3.665 -11.993 1.408 472 1HB LEU 61 1HB LEU 61 2.522 -9.771 1.520 473 2HB LEU 61 2HB LEU 61 3.613 -9.218 0.264 474 HG LEU 61 HG LEU 61 2.588 -11.530 -0.808 475 1HD1 LEU 61 1HD1 LEU 61 0.369 -10.083 0.632 476 2HD1 LEU 61 2HD1 LEU 61 0.948 -11.709 0.993 477 3HD1 LEU 61 3HD1 LEU 61 0.166 -11.373 -0.552 478 1HD2 LEU 61 1HD2 LEU 61 2.907 -9.609 -2.118 479 2HD2 LEU 61 2HD2 LEU 61 1.831 -8.644 -1.112 480 3HD2 LEU 61 3HD2 LEU 61 1.171 -9.912 -2.147 481 H LEU 62 H LEU 62 6.127 -9.648 0.321 482 HA LEU 62 HA LEU 62 6.466 -10.861 -2.222 483 1HB LEU 62 1HB LEU 62 8.574 -9.533 -2.328 484 2HB LEU 62 2HB LEU 62 7.128 -8.596 -2.006 485 HG LEU 62 HG LEU 62 7.826 -8.809 0.479 486 1HD1 LEU 62 1HD1 LEU 62 10.296 -8.904 0.748 487 2HD1 LEU 62 2HD1 LEU 62 10.409 -9.448 -0.927 488 3HD1 LEU 62 3HD1 LEU 62 9.566 -10.434 0.267 489 1HD2 LEU 62 1HD2 LEU 62 9.198 -6.800 0.289 490 2HD2 LEU 62 2HD2 LEU 62 7.798 -6.722 -0.782 491 3HD2 LEU 62 3HD2 LEU 62 9.392 -7.091 -1.440 492 H GLU 63 H GLU 63 7.277 -11.940 0.810 493 HA GLU 63 HA GLU 63 9.610 -13.447 -0.141 494 1HB GLU 63 1HB GLU 63 9.872 -14.027 2.282 495 2HB GLU 63 2HB GLU 63 10.038 -12.323 1.903 496 1HG GLU 63 1HG GLU 63 7.753 -11.933 2.666 497 2HG GLU 63 2HG GLU 63 7.596 -13.645 3.055 498 H ASP 64 H ASP 64 6.334 -13.792 0.061 499 HA ASP 64 HA ASP 64 5.976 -16.357 1.122 500 1HB ASP 64 1HB ASP 64 4.402 -14.570 -0.640 501 2HB ASP 64 2HB ASP 64 3.957 -16.274 -0.630 502 H ASP 65 H ASP 65 6.938 -15.287 -2.013 503 HA ASP 65 HA ASP 65 7.721 -16.367 -3.865 504 1HB ASP 65 1HB ASP 65 8.214 -18.595 -1.877 505 2HB ASP 65 2HB ASP 65 8.855 -18.549 -3.516 506 H SER 66 H SER 66 4.902 -16.560 -3.059 507 HA SER 66 HA SER 66 4.016 -19.191 -3.846 508 1HB SER 66 1HB SER 66 2.654 -16.642 -3.037 509 2HB SER 66 2HB SER 66 1.733 -17.971 -3.729 510 HG SER 66 HG SER 66 1.820 -18.900 -1.858 511 H GLY 67 H GLY 67 4.372 -16.042 -5.327 512 1HA GLY 67 1HA GLY 67 4.741 -16.386 -7.840 513 2HA GLY 67 2HA GLY 67 3.110 -17.046 -7.796 514 H PHE 68 H PHE 68 1.447 -15.648 -8.124 515 HA PHE 68 HA PHE 68 1.922 -12.966 -8.777 516 1HB PHE 68 1HB PHE 68 -0.331 -12.789 -9.189 517 2HB PHE 68 2HB PHE 68 -0.196 -14.542 -9.172 518 HD1 PHE 68 HD1 PHE 68 -1.174 -15.845 -7.411 519 HD2 PHE 68 HD2 PHE 68 -1.369 -11.588 -7.321 520 HE1 PHE 68 HE1 PHE 68 -2.888 -15.960 -5.652 521 HE2 PHE 68 HE2 PHE 68 -3.082 -11.702 -5.562 522 HZ PHE 68 HZ PHE 68 -3.843 -13.889 -4.725 523 H VAL 69 H VAL 69 1.325 -14.584 -5.785 524 HA VAL 69 HA VAL 69 0.662 -12.355 -4.187 525 HB VAL 69 HB VAL 69 2.071 -14.892 -3.346 526 1HG1 VAL 69 1HG1 VAL 69 1.050 -14.406 -1.140 527 2HG1 VAL 69 2HG1 VAL 69 0.515 -12.849 -1.771 528 3HG1 VAL 69 3HG1 VAL 69 2.237 -13.204 -1.645 529 1HG2 VAL 69 1HG2 VAL 69 -0.874 -14.266 -3.502 530 2HG2 VAL 69 2HG2 VAL 69 -0.182 -15.704 -2.751 531 3HG2 VAL 69 3HG2 VAL 69 0.008 -15.436 -4.484 532 H ARG 70 H ARG 70 3.716 -13.980 -4.926 533 HA ARG 70 HA ARG 70 5.373 -12.368 -3.342 534 1HB ARG 70 1HB ARG 70 5.997 -14.556 -4.409 535 2HB ARG 70 2HB ARG 70 6.129 -13.700 -5.941 536 1HG ARG 70 1HG ARG 70 7.839 -12.223 -4.872 537 2HG ARG 70 2HG ARG 70 7.787 -13.292 -3.469 538 1HD ARG 70 1HD ARG 70 9.637 -13.842 -4.980 539 2HD ARG 70 2HD ARG 70 8.486 -15.167 -4.832 540 HE ARG 70 HE ARG 70 7.982 -13.433 -7.071 541 1HH1 ARG 70 1HH1 ARG 70 9.734 -16.228 -5.946 542 2HH1 ARG 70 2HH1 ARG 70 9.934 -16.898 -7.529 543 1HH2 ARG 70 1HH2 ARG 70 8.240 -14.308 -9.156 544 2HH2 ARG 70 2HH2 ARG 70 9.086 -15.807 -9.355 545 H SER 71 H SER 71 4.520 -12.145 -6.780 546 HA SER 71 HA SER 71 5.998 -9.790 -7.295 547 1HB SER 71 1HB SER 71 3.594 -10.881 -8.774 548 2HB SER 71 2HB SER 71 4.740 -9.692 -9.393 549 HG SER 71 HG SER 71 6.356 -11.277 -9.288 550 H GLY 72 H GLY 72 2.883 -10.357 -5.893 551 1HA GLY 72 1HA GLY 72 1.558 -7.969 -6.428 552 2HA GLY 72 2HA GLY 72 1.343 -8.923 -4.967 553 H ALA 73 H ALA 73 3.111 -8.626 -3.304 554 HA ALA 73 HA ALA 73 3.193 -6.091 -2.314 555 1HB ALA 73 1HB ALA 73 5.162 -8.338 -1.989 556 2HB ALA 73 2HB ALA 73 3.843 -7.875 -0.913 557 3HB ALA 73 3HB ALA 73 5.262 -6.838 -1.067 558 H ALA 74 H ALA 74 5.314 -7.477 -4.737 559 HA ALA 74 HA ALA 74 7.382 -5.590 -4.638 560 1HB ALA 74 1HB ALA 74 7.592 -7.716 -5.802 561 2HB ALA 74 2HB ALA 74 7.978 -6.366 -6.870 562 3HB ALA 74 3HB ALA 74 6.422 -7.183 -7.009 563 H ARG 75 H ARG 75 4.444 -5.640 -6.681 564 HA ARG 75 HA ARG 75 5.112 -3.211 -8.016 565 1HB ARG 75 1HB ARG 75 2.695 -3.274 -8.759 566 2HB ARG 75 2HB ARG 75 3.671 -4.670 -9.191 567 1HG ARG 75 1HG ARG 75 2.652 -6.015 -7.544 568 2HG ARG 75 2HG ARG 75 1.905 -4.621 -6.765 569 1HD ARG 75 1HD ARG 75 0.350 -6.006 -8.149 570 2HD ARG 75 2HD ARG 75 0.411 -4.301 -8.590 571 HE ARG 75 HE ARG 75 2.068 -6.196 -10.082 572 1HH1 ARG 75 1HH1 ARG 75 -0.692 -4.071 -9.948 573 2HH1 ARG 75 2HH1 ARG 75 -0.906 -4.032 -11.667 574 1HH2 ARG 75 1HH2 ARG 75 1.791 -6.148 -12.347 575 2HH2 ARG 75 2HH2 ARG 75 0.504 -5.211 -13.029 576 H SER 76 H SER 76 3.041 -3.975 -5.247 577 HA SER 76 HA SER 76 1.781 -1.536 -4.930 578 1HB SER 76 1HB SER 76 1.778 -2.176 -2.439 579 2HB SER 76 2HB SER 76 1.016 -3.293 -3.572 580 HG SER 76 HG SER 76 2.612 -4.695 -3.296 581 H LEU 77 H LEU 77 5.084 -2.390 -4.215 582 HA LEU 77 HA LEU 77 5.800 -0.414 -2.401 583 1HB LEU 77 1HB LEU 77 7.559 -1.215 -4.706 584 2HB LEU 77 2HB LEU 77 8.044 -0.731 -3.095 585 HG LEU 77 HG LEU 77 6.585 -3.291 -3.723 586 1HD1 LEU 77 1HD1 LEU 77 8.785 -4.346 -3.291 587 2HD1 LEU 77 2HD1 LEU 77 9.508 -2.738 -3.294 588 3HD1 LEU 77 3HD1 LEU 77 8.743 -3.362 -4.754 589 1HD2 LEU 77 1HD2 LEU 77 6.367 -2.282 -1.409 590 2HD2 LEU 77 2HD2 LEU 77 8.100 -2.555 -1.232 591 3HD2 LEU 77 3HD2 LEU 77 7.015 -3.920 -1.489 592 H GLU 78 H GLU 78 6.304 -0.230 -5.927 593 HA GLU 78 HA GLU 78 6.959 2.407 -6.180 594 1HB GLU 78 1HB GLU 78 5.132 0.898 -8.058 595 2HB GLU 78 2HB GLU 78 6.089 2.317 -8.459 596 1HG GLU 78 1HG GLU 78 8.128 1.097 -8.188 597 2HG GLU 78 2HG GLU 78 7.257 -0.308 -7.573 598 H GLN 79 H GLN 79 3.735 1.053 -5.767 599 HA GLN 79 HA GLN 79 2.296 3.445 -6.252 600 1HB GLN 79 1HB GLN 79 1.531 1.015 -4.624 601 2HB GLN 79 2HB GLN 79 0.422 2.284 -5.123 602 1HG GLN 79 1HG GLN 79 0.750 1.722 -7.441 603 2HG GLN 79 2HG GLN 79 1.988 0.542 -7.013 604 1HE2 GLN 79 1HE2 GLN 79 0.498 -0.378 -4.669 605 2HE2 GLN 79 2HE2 GLN 79 -0.783 -1.362 -5.279 606 H ILE 80 H ILE 80 3.894 2.125 -3.448 607 HA ILE 80 HA ILE 80 2.685 3.958 -1.588 608 HB ILE 80 HB ILE 80 5.095 2.166 -1.254 609 1HG1 ILE 80 1HG1 ILE 80 3.054 0.898 -1.708 610 2HG1 ILE 80 2HG1 ILE 80 3.560 0.678 -0.039 611 1HG2 ILE 80 1HG2 ILE 80 4.637 2.474 1.183 612 2HG2 ILE 80 2HG2 ILE 80 3.488 3.742 0.754 613 3HG2 ILE 80 3HG2 ILE 80 5.198 3.929 0.359 614 1HD1 ILE 80 1HD1 ILE 80 1.862 2.287 0.673 615 2HD1 ILE 80 2HD1 ILE 80 1.163 0.917 -0.191 616 3HD1 ILE 80 3HD1 ILE 80 1.347 2.470 -1.004 617 H GLY 81 H GLY 81 6.065 3.503 -2.680 618 1HA GLY 81 1HA GLY 81 6.824 5.893 -3.554 619 2HA GLY 81 2HA GLY 81 6.693 6.223 -1.832 620 H GLY 82 H GLY 82 9.000 6.129 -3.762 621 1HA GLY 82 1HA GLY 82 10.603 3.886 -3.084 622 2HA GLY 82 2HA GLY 82 11.166 5.375 -3.823 623 H GLU 83 H GLU 83 10.668 7.255 -1.929 624 HA GLU 83 HA GLU 83 12.849 7.045 -0.232 625 1HB GLU 83 1HB GLU 83 11.675 9.144 -0.907 626 2HB GLU 83 2HB GLU 83 10.406 8.751 0.244 627 1HG GLU 83 1HG GLU 83 12.095 8.793 2.052 628 2HG GLU 83 2HG GLU 83 13.296 9.312 0.869 629 H ARG 84 H ARG 84 9.508 6.129 0.380 630 HA ARG 84 HA ARG 84 10.023 5.647 3.192 631 1HB ARG 84 1HB ARG 84 7.580 4.685 2.975 632 2HB ARG 84 2HB ARG 84 7.868 6.418 3.020 633 1HG ARG 84 1HG ARG 84 7.753 5.022 0.386 634 2HG ARG 84 2HG ARG 84 6.254 5.385 1.248 635 1HD ARG 84 1HD ARG 84 8.387 7.397 0.535 636 2HD ARG 84 2HD ARG 84 6.891 7.148 -0.361 637 HE ARG 84 HE ARG 84 6.511 7.731 2.433 638 1HH1 ARG 84 1HH1 ARG 84 6.885 9.065 -0.763 639 2HH1 ARG 84 2HH1 ARG 84 6.096 10.556 -0.373 640 1HH2 ARG 84 1HH2 ARG 84 5.470 9.689 2.956 641 2HH2 ARG 84 2HH2 ARG 84 5.292 10.912 1.742 642 H VAL 85 H VAL 85 8.826 3.694 0.478 643 HA VAL 85 HA VAL 85 9.029 1.218 1.755 644 HB VAL 85 HB VAL 85 9.195 1.820 -1.199 645 1HG1 VAL 85 1HG1 VAL 85 9.972 -0.381 -0.928 646 2HG1 VAL 85 2HG1 VAL 85 8.268 -0.538 -1.355 647 3HG1 VAL 85 3HG1 VAL 85 8.780 -0.737 0.321 648 1HG2 VAL 85 1HG2 VAL 85 6.839 1.089 0.535 649 2HG2 VAL 85 2HG2 VAL 85 6.808 1.334 -1.211 650 3HG2 VAL 85 3HG2 VAL 85 7.169 2.685 -0.137 651 H ARG 86 H ARG 86 11.479 3.221 0.368 652 HA ARG 86 HA ARG 86 13.403 1.374 -0.388 653 1HB ARG 86 1HB ARG 86 13.768 3.715 -0.783 654 2HB ARG 86 2HB ARG 86 13.758 4.063 0.942 655 1HG ARG 86 1HG ARG 86 15.879 3.253 1.252 656 2HG ARG 86 2HG ARG 86 15.776 2.151 -0.122 657 1HD ARG 86 1HD ARG 86 17.308 3.976 -0.597 658 2HD ARG 86 2HD ARG 86 15.897 4.048 -1.654 659 HE ARG 86 HE ARG 86 15.114 5.718 0.212 660 1HH1 ARG 86 1HH1 ARG 86 18.290 5.393 -1.185 661 2HH1 ARG 86 2HH1 ARG 86 18.702 7.058 -0.953 662 1HH2 ARG 86 1HH2 ARG 86 15.650 7.912 0.521 663 2HH2 ARG 86 2HH2 ARG 86 17.202 8.491 0.017 664 H ALA 87 H ALA 87 12.381 2.341 2.799 665 HA ALA 87 HA ALA 87 14.568 1.169 4.209 666 1HB ALA 87 1HB ALA 87 11.786 1.754 5.226 667 2HB ALA 87 2HB ALA 87 13.109 2.920 5.178 668 3HB ALA 87 3HB ALA 87 13.232 1.488 6.200 669 H ALA 88 H ALA 88 11.486 0.074 3.018 670 HA ALA 88 HA ALA 88 11.423 -2.414 4.402 671 1HB ALA 88 1HB ALA 88 9.659 -2.976 2.718 672 2HB ALA 88 2HB ALA 88 9.970 -1.417 1.956 673 3HB ALA 88 3HB ALA 88 9.364 -1.485 3.610 674 H MET 89 H MET 89 12.343 -1.410 1.135 675 HA MET 89 HA MET 89 13.008 -3.956 0.149 676 1HB MET 89 1HB MET 89 14.335 -1.400 -0.718 677 2HB MET 89 2HB MET 89 14.013 -2.833 -1.668 678 1HG MET 89 1HG MET 89 12.148 -0.690 -0.812 679 2HG MET 89 2HG MET 89 12.440 -1.351 -2.419 680 1HE MET 89 1HE MET 89 10.693 -4.901 -2.033 681 2HE MET 89 2HE MET 89 12.358 -4.545 -1.573 682 3HE MET 89 3HE MET 89 11.699 -3.889 -3.070 683 H GLU 90 H GLU 90 15.031 -1.389 1.524 684 HA GLU 90 HA GLU 90 17.499 -2.605 1.366 685 1HB GLU 90 1HB GLU 90 16.881 -0.273 2.258 686 2HB GLU 90 2HB GLU 90 16.623 -1.064 3.805 687 1HG GLU 90 1HG GLU 90 19.210 -1.255 2.295 688 2HG GLU 90 2HG GLU 90 18.869 0.023 3.459 689 H LYS 91 H LYS 91 14.855 -3.187 3.578 690 HA LYS 91 HA LYS 91 16.358 -4.960 5.286 691 1HB LYS 91 1HB LYS 91 14.428 -3.633 6.107 692 2HB LYS 91 2HB LYS 91 13.365 -4.572 5.068 693 1HG LYS 91 1HG LYS 91 13.212 -5.405 7.307 694 2HG LYS 91 2HG LYS 91 14.023 -6.610 6.304 695 1HD LYS 91 1HD LYS 91 16.179 -5.928 7.169 696 2HD LYS 91 2HD LYS 91 15.427 -4.626 8.093 697 1HE LYS 91 1HE LYS 91 14.199 -6.260 9.420 698 2HE LYS 91 2HE LYS 91 14.908 -7.573 8.480 699 1HZ LYS 91 1HZ LYS 91 16.441 -5.649 10.145 700 2HZ LYS 91 2HZ LYS 91 17.080 -6.968 9.300 701 3HZ LYS 91 3HZ LYS 91 16.037 -7.226 10.607 702 H LEU 92 H LEU 92 14.462 -5.280 2.376 703 HA LEU 92 HA LEU 92 14.155 -8.129 2.671 704 1HB LEU 92 1HB LEU 92 12.387 -7.369 1.464 705 2HB LEU 92 2HB LEU 92 13.288 -6.037 0.772 706 HG LEU 92 HG LEU 92 14.385 -7.653 -0.758 707 1HD1 LEU 92 1HD1 LEU 92 12.304 -9.563 0.305 708 2HD1 LEU 92 2HD1 LEU 92 14.041 -9.691 0.561 709 3HD1 LEU 92 3HD1 LEU 92 13.377 -9.858 -1.063 710 1HD2 LEU 92 1HD2 LEU 92 12.205 -8.087 -2.076 711 2HD2 LEU 92 2HD2 LEU 92 12.678 -6.424 -1.745 712 3HD2 LEU 92 3HD2 LEU 92 11.427 -7.194 -0.771 713 H ALA 93 H ALA 93 16.418 -5.888 1.307 714 HA ALA 93 HA ALA 93 17.700 -7.564 -0.551 715 1HB ALA 93 1HB ALA 93 18.911 -5.340 1.094 716 2HB ALA 93 2HB ALA 93 18.077 -5.137 -0.446 717 3HB ALA 93 3HB ALA 93 19.591 -6.037 -0.376 718 H GLU 94 H GLU 94 17.665 -7.464 2.872 719 HA GLU 94 HA GLU 94 20.091 -8.964 3.276 720 1HB GLU 94 1HB GLU 94 19.210 -7.356 4.959 721 2HB GLU 94 2HB GLU 94 17.812 -8.396 5.187 722 1HG GLU 94 1HG GLU 94 19.279 -10.183 5.981 723 2HG GLU 94 2HG GLU 94 20.673 -9.124 5.769 724 H THR 95 H THR 95 16.699 -9.565 2.860 725 HA THR 95 HA THR 95 17.105 -12.453 3.293 726 HB THR 95 HB THR 95 14.545 -12.511 3.259 727 HG1 THR 95 HG1 THR 95 14.773 -10.058 2.538 728 1HG2 THR 95 1HG2 THR 95 15.850 -12.737 5.325 729 2HG2 THR 95 2HG2 THR 95 14.364 -11.832 5.605 730 3HG2 THR 95 3HG2 THR 95 15.904 -10.982 5.486 731 H GLY 96 H GLY 96 17.689 -10.632 0.941 732 1HA GLY 96 1HA GLY 96 15.959 -10.955 -1.175 733 2HA GLY 96 2HA GLY 96 17.703 -10.841 -1.337 734 H THR 97 H THR 97 15.046 -12.709 -1.925 735 HA THR 97 HA THR 97 16.742 -15.011 -2.565 736 HB THR 97 HB THR 97 15.715 -15.663 -0.482 737 HG1 THR 97 HG1 THR 97 15.667 -17.109 -2.468 738 1HG2 THR 97 1HG2 THR 97 13.850 -14.084 -0.457 739 2HG2 THR 97 2HG2 THR 97 13.279 -15.731 -0.195 740 3HG2 THR 97 3HG2 THR 97 13.073 -14.967 -1.771 741 H GLY 98 H GLY 98 16.394 -15.769 -4.556 742 1HA GLY 98 1HA GLY 98 15.508 -15.984 -6.661 743 2HA GLY 98 2HA GLY 98 13.947 -16.030 -5.855 744 H PHE 99 H PHE 99 12.616 -14.692 -6.834 745 HA PHE 99 HA PHE 99 13.477 -12.391 -8.294 746 1HB PHE 99 1HB PHE 99 11.590 -13.449 -9.189 747 2HB PHE 99 2HB PHE 99 10.820 -13.616 -7.618 748 HD1 PHE 99 HD1 PHE 99 11.661 -11.211 -10.292 749 HD2 PHE 99 HD2 PHE 99 9.368 -11.960 -6.785 750 HE1 PHE 99 HE1 PHE 99 10.332 -9.187 -10.733 751 HE2 PHE 99 HE2 PHE 99 8.036 -9.938 -7.216 752 HZ PHE 99 HZ PHE 99 8.517 -8.549 -9.195 753 H ALA 100 H ALA 100 12.183 -12.966 -5.101 754 HA ALA 100 HA ALA 100 11.226 -10.483 -4.387 755 1HB ALA 100 1HB ALA 100 11.508 -11.128 -2.129 756 2HB ALA 100 2HB ALA 100 12.823 -12.231 -2.534 757 3HB ALA 100 3HB ALA 100 11.172 -12.603 -3.034 758 H ARG 101 H ARG 101 14.581 -11.559 -4.522 759 HA ARG 101 HA ARG 101 15.690 -9.317 -3.192 760 1HB ARG 101 1HB ARG 101 16.899 -11.432 -3.478 761 2HB ARG 101 2HB ARG 101 16.929 -11.172 -5.216 762 1HG ARG 101 1HG ARG 101 18.561 -9.585 -5.099 763 2HG ARG 101 2HG ARG 101 18.093 -9.067 -3.479 764 1HD ARG 101 1HD ARG 101 19.107 -10.981 -2.490 765 2HD ARG 101 2HD ARG 101 19.371 -11.729 -4.065 766 HE ARG 101 HE ARG 101 20.774 -9.451 -4.280 767 1HH1 ARG 101 1HH1 ARG 101 20.678 -11.901 -1.802 768 2HH1 ARG 101 2HH1 ARG 101 22.329 -11.670 -1.331 769 1HH2 ARG 101 1HH2 ARG 101 22.947 -9.142 -3.667 770 2HH2 ARG 101 2HH2 ARG 101 23.619 -10.102 -2.391 771 H LYS 102 H LYS 102 15.673 -10.133 -6.669 772 HA LYS 102 HA LYS 102 16.767 -7.854 -7.714 773 1HB LYS 102 1HB LYS 102 16.200 -9.766 -9.097 774 2HB LYS 102 2HB LYS 102 14.485 -9.500 -8.823 775 1HG LYS 102 1HG LYS 102 14.660 -7.342 -10.000 776 2HG LYS 102 2HG LYS 102 16.359 -7.690 -10.330 777 1HD LYS 102 1HD LYS 102 15.771 -9.603 -11.653 778 2HD LYS 102 2HD LYS 102 14.073 -9.460 -11.191 779 1HE LYS 102 1HE LYS 102 13.993 -7.260 -12.312 780 2HE LYS 102 2HE LYS 102 15.660 -7.492 -12.835 781 1HZ LYS 102 1HZ LYS 102 13.382 -9.255 -13.556 782 2HZ LYS 102 2HZ LYS 102 14.978 -9.422 -14.093 783 3HZ LYS 102 3HZ LYS 102 14.063 -8.079 -14.564 784 H VAL 103 H VAL 103 13.684 -8.234 -6.238 785 HA VAL 103 HA VAL 103 12.340 -5.999 -7.310 786 HB VAL 103 HB VAL 103 12.020 -7.503 -4.718 787 1HG1 VAL 103 1HG1 VAL 103 9.820 -6.384 -4.515 788 2HG1 VAL 103 2HG1 VAL 103 10.255 -5.336 -5.865 789 3HG1 VAL 103 3HG1 VAL 103 11.170 -5.261 -4.360 790 1HG2 VAL 103 1HG2 VAL 103 11.540 -8.678 -6.857 791 2HG2 VAL 103 2HG2 VAL 103 10.289 -7.479 -7.183 792 3HG2 VAL 103 3HG2 VAL 103 10.148 -8.543 -5.784 793 H ALA 104 H ALA 104 13.831 -6.382 -4.091 794 HA ALA 104 HA ALA 104 13.631 -3.713 -3.308 795 1HB ALA 104 1HB ALA 104 15.571 -5.858 -2.462 796 2HB ALA 104 2HB ALA 104 14.046 -5.427 -1.689 797 3HB ALA 104 3HB ALA 104 15.400 -4.302 -1.653 798 H VAL 105 H VAL 105 16.158 -5.400 -5.034 799 HA VAL 105 HA VAL 105 18.133 -3.392 -4.886 800 HB VAL 105 HB VAL 105 17.836 -5.495 -7.030 801 1HG1 VAL 105 1HG1 VAL 105 20.281 -5.263 -7.221 802 2HG1 VAL 105 2HG1 VAL 105 20.230 -3.939 -6.058 803 3HG1 VAL 105 3HG1 VAL 105 19.430 -3.769 -7.621 804 1HG2 VAL 105 1HG2 VAL 105 17.794 -6.492 -4.795 805 2HG2 VAL 105 2HG2 VAL 105 19.288 -5.647 -4.389 806 3HG2 VAL 105 3HG2 VAL 105 19.288 -6.884 -5.646 807 H ASN 106 H ASN 106 16.049 -4.321 -7.621 808 HA ASN 106 HA ASN 106 16.853 -2.148 -9.248 809 1HB ASN 106 1HB ASN 106 14.547 -4.078 -9.426 810 2HB ASN 106 2HB ASN 106 14.849 -2.840 -10.640 811 1HD2 ASN 106 1HD2 ASN 106 17.433 -4.465 -8.948 812 2HD2 ASN 106 2HD2 ASN 106 18.003 -5.378 -10.297 813 H TYR 107 H TYR 107 13.980 -2.623 -7.183 814 HA TYR 107 HA TYR 107 12.569 -0.381 -8.091 815 1HB TYR 107 1HB TYR 107 11.389 -2.039 -6.870 816 2HB TYR 107 2HB TYR 107 12.506 -1.932 -5.516 817 HD1 TYR 107 HD1 TYR 107 12.132 -0.509 -3.789 818 HD2 TYR 107 HD2 TYR 107 9.948 0.034 -7.365 819 HE1 TYR 107 HE1 TYR 107 10.762 1.192 -2.663 820 HE2 TYR 107 HE2 TYR 107 8.559 1.735 -6.274 821 HH TYR 107 HH TYR 107 7.873 2.402 -4.043 822 H LEU 108 H LEU 108 14.818 -0.791 -5.389 823 HA LEU 108 HA LEU 108 14.588 1.675 -4.198 824 1HB LEU 108 1HB LEU 108 16.164 0.773 -2.926 825 2HB LEU 108 2HB LEU 108 16.356 -0.514 -4.093 826 HG LEU 108 HG LEU 108 17.930 1.246 -5.271 827 1HD1 LEU 108 1HD1 LEU 108 17.475 3.052 -3.701 828 2HD1 LEU 108 2HD1 LEU 108 19.167 2.563 -3.610 829 3HD1 LEU 108 3HD1 LEU 108 18.031 2.045 -2.365 830 1HD2 LEU 108 1HD2 LEU 108 18.623 -0.954 -4.540 831 2HD2 LEU 108 2HD2 LEU 108 18.687 -0.405 -2.865 832 3HD2 LEU 108 3HD2 LEU 108 19.821 0.243 -4.049 833 H GLU 109 H GLU 109 15.795 0.945 -7.315 834 HA GLU 109 HA GLU 109 17.469 3.220 -7.676 835 1HB GLU 109 1HB GLU 109 17.441 1.057 -9.047 836 2HB GLU 109 2HB GLU 109 16.043 1.731 -9.873 837 1HG GLU 109 1HG GLU 109 17.990 2.152 -11.187 838 2HG GLU 109 2HG GLU 109 17.422 3.682 -10.522 839 H THR 110 H THR 110 14.357 3.240 -6.947 840 HA THR 110 HA THR 110 13.460 5.197 -8.919 841 HB THR 110 HB THR 110 11.313 5.146 -7.576 842 HG1 THR 110 HG1 THR 110 12.053 4.381 -5.607 843 1HG2 THR 110 1HG2 THR 110 10.626 2.921 -8.387 844 2HG2 THR 110 2HG2 THR 110 12.319 2.520 -8.684 845 3HG2 THR 110 3HG2 THR 110 11.545 3.813 -9.601 846 H HIS 111 H HIS 111 14.184 4.899 -5.481 847 HA HIS 111 HA HIS 111 14.572 7.803 -5.385 848 1HB HIS 111 1HB HIS 111 12.251 6.922 -4.461 849 2HB HIS 111 2HB HIS 111 13.220 6.546 -3.040 850 HD1 HIS 111 HD1 HIS 111 14.572 8.677 -2.022 851 HD2 HIS 111 HD2 HIS 111 11.436 9.510 -4.620 852 HE1 HIS 111 HE1 HIS 111 14.009 11.100 -1.642 853 HE2 HIS 111 HE2 HIS 111 12.074 11.567 -3.187 Start of MODEL 27 1 H MET 1 H MET 1 -17.923 16.092 1.691 2 HA MET 1 HA MET 1 -16.421 14.625 -0.397 3 1HB MET 1 1HB MET 1 -19.202 15.814 -0.439 4 2HB MET 1 2HB MET 1 -18.377 15.114 -1.824 5 1HG MET 1 1HG MET 1 -18.324 12.947 -0.697 6 2HG MET 1 2HG MET 1 -19.161 13.651 0.685 7 1HE MET 1 1HE MET 1 -21.040 13.270 -3.513 8 2HE MET 1 2HE MET 1 -19.422 12.689 -3.118 9 3HE MET 1 3HE MET 1 -19.762 14.420 -3.120 10 H ALA 2 H ALA 2 -17.500 17.637 0.976 11 HA ALA 2 HA ALA 2 -15.671 19.068 -0.798 12 1HB ALA 2 1HB ALA 2 -17.897 19.225 -1.841 13 2HB ALA 2 2HB ALA 2 -17.290 20.794 -1.313 14 3HB ALA 2 3HB ALA 2 -18.520 19.959 -0.364 15 H ASP 3 H ASP 3 -16.729 18.393 2.232 16 HA ASP 3 HA ASP 3 -15.250 20.593 3.376 17 1HB ASP 3 1HB ASP 3 -17.451 21.617 3.187 18 2HB ASP 3 2HB ASP 3 -18.192 20.233 3.984 19 H GLU 4 H GLU 4 -16.651 17.494 3.480 20 HA GLU 4 HA GLU 4 -15.844 17.050 6.263 21 1HB GLU 4 1HB GLU 4 -17.384 15.268 4.368 22 2HB GLU 4 2HB GLU 4 -17.049 14.913 6.057 23 1HG GLU 4 1HG GLU 4 -18.362 16.853 6.732 24 2HG GLU 4 2HG GLU 4 -18.689 17.222 5.040 25 H ASN 5 H ASN 5 -15.508 15.454 3.092 26 HA ASN 5 HA ASN 5 -12.836 14.547 3.929 27 1HB ASN 5 1HB ASN 5 -14.891 12.918 2.417 28 2HB ASN 5 2HB ASN 5 -13.234 12.415 2.741 29 1HD2 ASN 5 1HD2 ASN 5 -15.794 11.221 3.527 30 2HD2 ASN 5 2HD2 ASN 5 -15.743 11.096 5.250 31 H LYS 6 H LYS 6 -11.258 14.965 2.507 32 HA LYS 6 HA LYS 6 -11.960 15.440 -0.300 33 1HB LYS 6 1HB LYS 6 -10.484 17.429 -0.348 34 2HB LYS 6 2HB LYS 6 -11.894 17.646 0.679 35 1HG LYS 6 1HG LYS 6 -10.545 17.255 2.657 36 2HG LYS 6 2HG LYS 6 -9.127 16.956 1.649 37 1HD LYS 6 1HD LYS 6 -10.670 19.545 1.643 38 2HD LYS 6 2HD LYS 6 -9.249 19.255 2.647 39 1HE LYS 6 1HE LYS 6 -7.937 18.797 0.614 40 2HE LYS 6 2HE LYS 6 -9.360 19.148 -0.366 41 1HZ LYS 6 1HZ LYS 6 -7.877 21.051 -0.232 42 2HZ LYS 6 2HZ LYS 6 -8.006 21.065 1.455 43 3HZ LYS 6 3HZ LYS 6 -9.362 21.401 0.502 44 H TRP 7 H TRP 7 -9.736 14.363 2.097 45 HA TRP 7 HA TRP 7 -7.940 13.415 -0.034 46 1HB TRP 7 1HB TRP 7 -6.022 13.759 1.432 47 2HB TRP 7 2HB TRP 7 -6.888 15.274 1.204 48 HD1 TRP 7 HD1 TRP 7 -8.661 15.878 3.334 49 HE1 TRP 7 HE1 TRP 7 -8.222 15.607 5.855 50 HE3 TRP 7 HE3 TRP 7 -4.821 12.507 3.133 51 HZ2 TRP 7 HZ2 TRP 7 -6.477 14.161 7.535 52 HZ3 TRP 7 HZ3 TRP 7 -3.822 11.731 5.244 53 HH2 TRP 7 HH2 TRP 7 -4.635 12.543 7.399 54 H VAL 8 H VAL 8 -10.222 12.218 1.535 55 HA VAL 8 HA VAL 8 -8.792 10.012 2.857 56 HB VAL 8 HB VAL 8 -11.745 10.623 3.016 57 1HG1 VAL 8 1HG1 VAL 8 -11.737 9.134 4.916 58 2HG1 VAL 8 2HG1 VAL 8 -9.993 8.915 4.778 59 3HG1 VAL 8 3HG1 VAL 8 -11.061 8.302 3.516 60 1HG2 VAL 8 1HG2 VAL 8 -11.358 11.699 5.118 61 2HG2 VAL 8 2HG2 VAL 8 -10.321 12.468 3.915 62 3HG2 VAL 8 3HG2 VAL 8 -9.639 11.312 5.059 63 H ARG 9 H ARG 9 -11.527 10.627 0.665 64 HA ARG 9 HA ARG 9 -11.042 7.982 -0.541 65 1HB ARG 9 1HB ARG 9 -13.684 9.390 -0.126 66 2HB ARG 9 2HB ARG 9 -13.478 7.916 -1.060 67 1HG ARG 9 1HG ARG 9 -12.749 6.729 0.927 68 2HG ARG 9 2HG ARG 9 -12.869 8.212 1.876 69 1HD ARG 9 1HD ARG 9 -15.266 8.309 1.440 70 2HD ARG 9 2HD ARG 9 -15.156 6.853 0.453 71 HE ARG 9 HE ARG 9 -14.149 6.117 2.885 72 1HH1 ARG 9 1HH1 ARG 9 -17.138 7.531 1.783 73 2HH1 ARG 9 2HH1 ARG 9 -18.094 6.795 3.027 74 1HH2 ARG 9 1HH2 ARG 9 -15.404 5.141 4.525 75 2HH2 ARG 9 2HH2 ARG 9 -17.110 5.438 4.582 76 H ARG 10 H ARG 10 -9.994 10.656 -1.264 77 HA ARG 10 HA ARG 10 -11.300 11.685 -3.514 78 1HB ARG 10 1HB ARG 10 -9.425 12.835 -2.406 79 2HB ARG 10 2HB ARG 10 -8.327 11.573 -2.947 80 1HG ARG 10 1HG ARG 10 -9.016 12.205 -5.311 81 2HG ARG 10 2HG ARG 10 -9.737 13.647 -4.591 82 1HD ARG 10 1HD ARG 10 -6.845 12.805 -4.532 83 2HD ARG 10 2HD ARG 10 -7.538 14.219 -5.326 84 HE ARG 10 HE ARG 10 -8.170 14.824 -2.881 85 1HH1 ARG 10 1HH1 ARG 10 -5.236 13.284 -3.960 86 2HH1 ARG 10 2HH1 ARG 10 -4.277 13.908 -2.659 87 1HH2 ARG 10 1HH2 ARG 10 -6.917 15.647 -1.164 88 2HH2 ARG 10 2HH2 ARG 10 -5.234 15.250 -1.069 89 H ASP 11 H ASP 11 -12.000 10.324 -5.063 90 HA ASP 11 HA ASP 11 -11.946 8.924 -6.859 91 1HB ASP 11 1HB ASP 11 -9.948 10.355 -7.430 92 2HB ASP 11 2HB ASP 11 -8.941 9.117 -6.689 93 H VAL 12 H VAL 12 -10.820 8.125 -3.873 94 HA VAL 12 HA VAL 12 -9.808 5.490 -4.474 95 HB VAL 12 HB VAL 12 -10.574 6.609 -1.775 96 1HG1 VAL 12 1HG1 VAL 12 -8.993 4.916 -0.932 97 2HG1 VAL 12 2HG1 VAL 12 -8.789 4.313 -2.577 98 3HG1 VAL 12 3HG1 VAL 12 -10.360 4.197 -1.783 99 1HG2 VAL 12 1HG2 VAL 12 -7.963 6.742 -3.274 100 2HG2 VAL 12 2HG2 VAL 12 -8.125 7.065 -1.547 101 3HG2 VAL 12 3HG2 VAL 12 -8.954 8.091 -2.718 102 H SER 13 H SER 13 -12.035 5.818 -1.827 103 HA SER 13 HA SER 13 -13.865 4.584 -1.254 104 1HB SER 13 1HB SER 13 -14.643 5.238 -4.107 105 2HB SER 13 2HB SER 13 -15.747 4.741 -2.825 106 HG SER 13 HG SER 13 -14.501 7.179 -3.257 107 H THR 14 H THR 14 -11.593 3.106 -2.458 108 HA THR 14 HA THR 14 -13.032 0.630 -2.960 109 HB THR 14 HB THR 14 -10.998 1.711 -4.918 110 HG1 THR 14 HG1 THR 14 -12.968 2.560 -5.426 111 1HG2 THR 14 1HG2 THR 14 -10.616 -0.639 -4.710 112 2HG2 THR 14 2HG2 THR 14 -11.538 -0.388 -6.193 113 3HG2 THR 14 3HG2 THR 14 -12.345 -0.983 -4.744 114 H ALA 15 H ALA 15 -12.213 -0.329 -1.117 115 HA ALA 15 HA ALA 15 -9.310 -0.325 -0.761 116 1HB ALA 15 1HB ALA 15 -11.469 -1.389 1.055 117 2HB ALA 15 2HB ALA 15 -10.701 0.194 1.187 118 3HB ALA 15 3HB ALA 15 -9.751 -1.271 1.438 119 H LEU 16 H LEU 16 -11.728 -2.901 -0.179 120 HA LEU 16 HA LEU 16 -9.852 -4.812 -1.335 121 1HB LEU 16 1HB LEU 16 -10.933 -5.325 0.816 122 2HB LEU 16 2HB LEU 16 -12.506 -5.252 0.046 123 HG LEU 16 HG LEU 16 -11.488 -7.560 0.533 124 1HD1 LEU 16 1HD1 LEU 16 -12.515 -8.534 -1.411 125 2HD1 LEU 16 2HD1 LEU 16 -12.415 -7.002 -2.278 126 3HD1 LEU 16 3HD1 LEU 16 -13.473 -7.154 -0.875 127 1HD2 LEU 16 1HD2 LEU 16 -9.950 -6.915 -1.978 128 2HD2 LEU 16 2HD2 LEU 16 -9.989 -8.461 -1.132 129 3HD2 LEU 16 3HD2 LEU 16 -9.250 -7.056 -0.365 130 H SER 17 H SER 17 -13.380 -4.463 -1.553 131 HA SER 17 HA SER 17 -13.309 -5.312 -4.341 132 1HB SER 17 1HB SER 17 -14.982 -6.329 -2.830 133 2HB SER 17 2HB SER 17 -15.670 -4.733 -2.530 134 HG SER 17 HG SER 17 -15.429 -5.708 -5.158 135 H ARG 18 H ARG 18 -14.639 -2.703 -2.379 136 HA ARG 18 HA ARG 18 -13.842 -0.557 -3.916 137 1HB ARG 18 1HB ARG 18 -15.304 -1.516 -5.674 138 2HB ARG 18 2HB ARG 18 -16.673 -1.392 -4.577 139 1HG ARG 18 1HG ARG 18 -16.452 1.025 -4.537 140 2HG ARG 18 2HG ARG 18 -15.037 0.926 -5.583 141 1HD ARG 18 1HD ARG 18 -16.441 -0.122 -7.321 142 2HD ARG 18 2HD ARG 18 -17.847 0.094 -6.279 143 HE ARG 18 HE ARG 18 -16.391 2.520 -6.816 144 1HH1 ARG 18 1HH1 ARG 18 -18.926 0.387 -7.898 145 2HH1 ARG 18 2HH1 ARG 18 -19.739 1.611 -8.815 146 1HH2 ARG 18 1HH2 ARG 18 -17.453 4.135 -8.020 147 2HH2 ARG 18 2HH2 ARG 18 -18.901 3.741 -8.886 148 H MET 19 H MET 19 -13.615 -0.238 -1.531 149 HA MET 19 HA MET 19 -16.024 1.088 -0.482 150 1HB MET 19 1HB MET 19 -14.153 -0.465 1.293 151 2HB MET 19 2HB MET 19 -15.758 0.146 1.669 152 1HG MET 19 1HG MET 19 -16.661 -1.457 -0.035 153 2HG MET 19 2HG MET 19 -15.041 -2.148 -0.130 154 1HE MET 19 1HE MET 19 -17.787 -3.691 0.593 155 2HE MET 19 2HE MET 19 -17.263 -4.751 1.901 156 3HE MET 19 3HE MET 19 -16.248 -4.544 0.474 157 H GLY 20 H GLY 20 -12.509 0.708 -0.181 158 1HA GLY 20 1HA GLY 20 -10.870 2.305 0.077 159 2HA GLY 20 2HA GLY 20 -12.105 3.537 -0.123 160 H ASP 21 H ASP 21 -9.918 2.210 1.981 161 HA ASP 21 HA ASP 21 -9.445 2.477 4.183 162 1HB ASP 21 1HB ASP 21 -11.374 4.782 3.872 163 2HB ASP 21 2HB ASP 21 -10.363 4.521 5.288 164 H GLU 22 H GLU 22 -12.157 1.147 3.218 165 HA GLU 22 HA GLU 22 -13.367 0.982 5.895 166 1HB GLU 22 1HB GLU 22 -14.687 1.594 3.696 167 2HB GLU 22 2HB GLU 22 -14.673 -0.146 3.451 168 1HG GLU 22 1HG GLU 22 -15.726 1.210 5.922 169 2HG GLU 22 2HG GLU 22 -16.721 0.717 4.552 170 H ALA 23 H ALA 23 -11.970 -0.854 3.265 171 HA ALA 23 HA ALA 23 -12.207 -3.319 4.845 172 1HB ALA 23 1HB ALA 23 -11.579 -2.964 1.917 173 2HB ALA 23 2HB ALA 23 -13.120 -3.479 2.602 174 3HB ALA 23 3HB ALA 23 -11.697 -4.508 2.759 175 H PHE 24 H PHE 24 -10.205 -1.010 5.048 176 HA PHE 24 HA PHE 24 -7.667 -1.771 4.226 177 1HB PHE 24 1HB PHE 24 -8.418 0.418 5.298 178 2HB PHE 24 2HB PHE 24 -8.274 -0.405 6.847 179 HD1 PHE 24 HD1 PHE 24 -6.115 -0.501 3.814 180 HD2 PHE 24 HD2 PHE 24 -6.469 0.505 7.932 181 HE1 PHE 24 HE1 PHE 24 -3.730 0.061 3.876 182 HE2 PHE 24 HE2 PHE 24 -4.081 1.072 8.002 183 HZ PHE 24 HZ PHE 24 -2.703 0.853 5.972 184 H GLU 25 H GLU 25 -9.247 -2.382 7.353 185 HA GLU 25 HA GLU 25 -7.210 -4.031 8.381 186 1HB GLU 25 1HB GLU 25 -9.939 -3.299 9.131 187 2HB GLU 25 2HB GLU 25 -9.475 -4.921 9.612 188 1HG GLU 25 1HG GLU 25 -7.539 -4.042 10.791 189 2HG GLU 25 2HG GLU 25 -7.956 -2.410 10.269 190 HA PRO 26 HA PRO 26 -10.274 -7.777 7.034 191 1HB PRO 26 1HB PRO 26 -10.954 -6.358 4.484 192 2HB PRO 26 2HB PRO 26 -11.883 -7.571 5.373 193 1HG PRO 26 1HG PRO 26 -12.497 -4.978 5.535 194 2HG PRO 26 2HG PRO 26 -12.630 -6.047 6.942 195 1HD PRO 26 1HD PRO 26 -10.653 -3.923 6.370 196 2HD PRO 26 2HD PRO 26 -11.189 -4.578 7.926 197 H LEU 27 H LEU 27 -8.459 -5.615 4.956 198 HA LEU 27 HA LEU 27 -7.386 -7.492 3.168 199 1HB LEU 27 1HB LEU 27 -6.548 -4.791 4.157 200 2HB LEU 27 2HB LEU 27 -5.517 -5.689 3.050 201 HG LEU 27 HG LEU 27 -8.396 -5.111 2.391 202 1HD1 LEU 27 1HD1 LEU 27 -7.652 -3.151 1.150 203 2HD1 LEU 27 2HD1 LEU 27 -6.012 -3.377 1.759 204 3HD1 LEU 27 3HD1 LEU 27 -7.319 -2.973 2.872 205 1HD2 LEU 27 1HD2 LEU 27 -5.960 -5.719 0.720 206 2HD2 LEU 27 2HD2 LEU 27 -7.569 -5.367 0.090 207 3HD2 LEU 27 3HD2 LEU 27 -7.300 -6.816 1.058 208 H LEU 28 H LEU 28 -5.875 -5.959 6.002 209 HA LEU 28 HA LEU 28 -3.639 -7.679 6.102 210 1HB LEU 28 1HB LEU 28 -3.352 -5.663 7.225 211 2HB LEU 28 2HB LEU 28 -4.931 -5.738 7.977 212 HG LEU 28 HG LEU 28 -4.074 -7.554 9.464 213 1HD1 LEU 28 1HD1 LEU 28 -2.259 -8.374 8.091 214 2HD1 LEU 28 2HD1 LEU 28 -1.640 -7.830 9.649 215 3HD1 LEU 28 3HD1 LEU 28 -1.429 -6.822 8.218 216 1HD2 LEU 28 1HD2 LEU 28 -2.542 -4.960 9.568 217 2HD2 LEU 28 2HD2 LEU 28 -2.816 -6.067 10.914 218 3HD2 LEU 28 3HD2 LEU 28 -4.174 -5.211 10.184 219 H GLU 29 H GLU 29 -6.894 -8.031 7.079 220 HA GLU 29 HA GLU 29 -6.484 -10.027 9.078 221 1HB GLU 29 1HB GLU 29 -8.520 -8.551 8.874 222 2HB GLU 29 2HB GLU 29 -8.993 -9.506 7.476 223 1HG GLU 29 1HG GLU 29 -10.212 -10.339 9.313 224 2HG GLU 29 2HG GLU 29 -8.955 -11.524 8.965 225 H SER 30 H SER 30 -6.983 -9.977 5.619 226 HA SER 30 HA SER 30 -7.580 -12.713 5.246 227 1HB SER 30 1HB SER 30 -6.341 -10.734 3.321 228 2HB SER 30 2HB SER 30 -7.027 -12.299 2.879 229 HG SER 30 HG SER 30 -8.856 -11.295 2.765 230 H LEU 31 H LEU 31 -4.647 -11.125 6.009 231 HA LEU 31 HA LEU 31 -2.811 -12.870 4.752 232 1HB LEU 31 1HB LEU 31 -2.494 -11.227 7.265 233 2HB LEU 31 2HB LEU 31 -1.181 -12.016 6.413 234 HG LEU 31 HG LEU 31 -2.889 -9.756 5.371 235 1HD1 LEU 31 1HD1 LEU 31 -1.063 -9.332 7.115 236 2HD1 LEU 31 2HD1 LEU 31 -1.024 -8.380 5.632 237 3HD1 LEU 31 3HD1 LEU 31 0.073 -9.746 5.831 238 1HD2 LEU 31 1HD2 LEU 31 -2.299 -11.315 3.577 239 2HD2 LEU 31 2HD2 LEU 31 -0.601 -11.204 4.040 240 3HD2 LEU 31 3HD2 LEU 31 -1.438 -9.785 3.412 241 H SER 32 H SER 32 -5.037 -13.487 7.116 242 HA SER 32 HA SER 32 -3.481 -15.779 8.133 243 1HB SER 32 1HB SER 32 -5.612 -14.189 9.589 244 2HB SER 32 2HB SER 32 -4.803 -15.625 10.218 245 HG SER 32 HG SER 32 -3.493 -14.153 10.996 246 H ASN 33 H ASN 33 -5.470 -15.264 5.865 247 HA ASN 33 HA ASN 33 -7.683 -17.005 6.563 248 1HB ASN 33 1HB ASN 33 -8.295 -15.149 5.232 249 2HB ASN 33 2HB ASN 33 -6.947 -15.394 4.127 250 1HD2 ASN 33 1HD2 ASN 33 -8.187 -15.463 2.330 251 2HD2 ASN 33 2HD2 ASN 33 -9.257 -16.769 1.961 252 H GLU 34 H GLU 34 -7.950 -19.075 5.897 253 HA GLU 34 HA GLU 34 -5.782 -20.695 5.341 254 1HB GLU 34 1HB GLU 34 -8.694 -21.182 4.701 255 2HB GLU 34 2HB GLU 34 -7.448 -22.421 4.704 256 1HG GLU 34 1HG GLU 34 -8.246 -20.772 7.091 257 2HG GLU 34 2HG GLU 34 -8.808 -22.409 6.752 258 H ASP 35 H ASP 35 -7.988 -19.111 3.093 259 HA ASP 35 HA ASP 35 -6.935 -20.435 0.779 260 1HB ASP 35 1HB ASP 35 -9.258 -19.488 0.951 261 2HB ASP 35 2HB ASP 35 -8.547 -17.880 0.876 262 H TRP 36 H TRP 36 -5.311 -19.834 -0.535 263 HA TRP 36 HA TRP 36 -3.663 -17.583 0.309 264 1HB TRP 36 1HB TRP 36 -3.162 -19.819 -1.663 265 2HB TRP 36 2HB TRP 36 -2.005 -18.541 -1.305 266 HD1 TRP 36 HD1 TRP 36 -3.919 -21.308 0.640 267 HE1 TRP 36 HE1 TRP 36 -2.370 -22.164 2.511 268 HE3 TRP 36 HE3 TRP 36 0.052 -18.168 -0.079 269 HZ2 TRP 36 HZ2 TRP 36 0.184 -21.592 3.541 270 HZ3 TRP 36 HZ3 TRP 36 2.011 -18.392 1.394 271 HH2 TRP 36 HH2 TRP 36 2.069 -20.071 3.166 272 H ARG 37 H ARG 37 -5.752 -18.527 -2.301 273 HA ARG 37 HA ARG 37 -4.844 -16.796 -4.304 274 1HB ARG 37 1HB ARG 37 -7.709 -17.624 -3.838 275 2HB ARG 37 2HB ARG 37 -6.982 -17.128 -5.360 276 1HG ARG 37 1HG ARG 37 -6.293 -19.619 -3.813 277 2HG ARG 37 2HG ARG 37 -7.304 -19.541 -5.257 278 1HD ARG 37 1HD ARG 37 -4.389 -18.783 -5.080 279 2HD ARG 37 2HD ARG 37 -5.037 -20.253 -5.808 280 HE ARG 37 HE ARG 37 -6.294 -18.272 -7.162 281 1HH1 ARG 37 1HH1 ARG 37 -2.949 -18.964 -6.471 282 2HH1 ARG 37 2HH1 ARG 37 -2.363 -18.224 -7.924 283 1HH2 ARG 37 1HH2 ARG 37 -5.532 -17.296 -9.075 284 2HH2 ARG 37 2HH2 ARG 37 -3.831 -17.277 -9.403 285 H ILE 38 H ILE 38 -7.005 -16.263 -1.579 286 HA ILE 38 HA ILE 38 -7.725 -13.605 -2.447 287 HB ILE 38 HB ILE 38 -8.221 -14.964 0.206 288 1HG1 ILE 38 1HG1 ILE 38 -10.040 -14.595 -2.186 289 2HG1 ILE 38 2HG1 ILE 38 -9.277 -16.109 -1.715 290 1HG2 ILE 38 1HG2 ILE 38 -9.431 -12.462 -0.970 291 2HG2 ILE 38 2HG2 ILE 38 -8.293 -12.531 0.376 292 3HG2 ILE 38 3HG2 ILE 38 -9.907 -13.222 0.549 293 1HD1 ILE 38 1HD1 ILE 38 -11.314 -14.573 -0.117 294 2HD1 ILE 38 2HD1 ILE 38 -10.532 -16.072 0.386 295 3HD1 ILE 38 3HD1 ILE 38 -11.592 -16.061 -1.023 296 H ARG 39 H ARG 39 -5.556 -15.058 -0.065 297 HA ARG 39 HA ARG 39 -4.809 -12.764 1.324 298 1HB ARG 39 1HB ARG 39 -4.176 -15.044 2.009 299 2HB ARG 39 2HB ARG 39 -3.083 -15.150 0.635 300 1HG ARG 39 1HG ARG 39 -1.763 -13.301 1.547 301 2HG ARG 39 2HG ARG 39 -2.852 -13.218 2.932 302 1HD ARG 39 1HD ARG 39 -1.198 -15.617 2.159 303 2HD ARG 39 2HD ARG 39 -0.782 -14.461 3.425 304 HE ARG 39 HE ARG 39 -3.322 -15.403 4.004 305 1HH1 ARG 39 1HH1 ARG 39 -0.103 -16.706 3.702 306 2HH1 ARG 39 2HH1 ARG 39 -0.372 -17.974 4.850 307 1HH2 ARG 39 1HH2 ARG 39 -3.682 -17.068 5.515 308 2HH2 ARG 39 2HH2 ARG 39 -2.406 -18.181 5.881 309 H GLY 40 H GLY 40 -3.984 -13.833 -1.864 310 1HA GLY 40 1HA GLY 40 -1.639 -12.263 -2.216 311 2HA GLY 40 2HA GLY 40 -2.624 -12.954 -3.497 312 H ALA 41 H ALA 41 -4.867 -11.794 -3.651 313 HA ALA 41 HA ALA 41 -4.524 -9.285 -4.681 314 1HB ALA 41 1HB ALA 41 -7.037 -10.367 -3.413 315 2HB ALA 41 2HB ALA 41 -6.513 -10.640 -5.075 316 3HB ALA 41 3HB ALA 41 -6.947 -9.016 -4.543 317 H ALA 42 H ALA 42 -4.823 -10.184 -1.357 318 HA ALA 42 HA ALA 42 -5.754 -7.841 -0.192 319 1HB ALA 42 1HB ALA 42 -3.700 -9.750 0.915 320 2HB ALA 42 2HB ALA 42 -5.449 -9.930 1.038 321 3HB ALA 42 3HB ALA 42 -4.642 -8.587 1.846 322 H ALA 43 H ALA 43 -2.329 -8.802 -0.627 323 HA ALA 43 HA ALA 43 -1.328 -6.250 0.144 324 1HB ALA 43 1HB ALA 43 0.823 -7.078 -0.546 325 2HB ALA 43 2HB ALA 43 0.065 -8.415 -1.412 326 3HB ALA 43 3HB ALA 43 -0.040 -8.330 0.346 327 H TRP 44 H TRP 44 -2.450 -7.605 -2.829 328 HA TRP 44 HA TRP 44 -1.074 -6.136 -4.730 329 1HB TRP 44 1HB TRP 44 -3.674 -7.536 -4.632 330 2HB TRP 44 2HB TRP 44 -3.462 -6.378 -5.938 331 HD1 TRP 44 HD1 TRP 44 -1.587 -9.431 -4.463 332 HE1 TRP 44 HE1 TRP 44 -0.397 -10.638 -6.396 333 HE3 TRP 44 HE3 TRP 44 -2.802 -6.251 -8.274 334 HZ2 TRP 44 HZ2 TRP 44 -0.008 -10.287 -9.166 335 HZ3 TRP 44 HZ3 TRP 44 -1.984 -6.759 -10.537 336 HH2 TRP 44 HH2 TRP 44 -0.619 -8.737 -10.974 337 H ILE 45 H ILE 45 -4.048 -5.255 -2.990 338 HA ILE 45 HA ILE 45 -3.976 -2.611 -4.251 339 HB ILE 45 HB ILE 45 -6.136 -3.811 -2.508 340 1HG1 ILE 45 1HG1 ILE 45 -5.992 -3.509 -5.520 341 2HG1 ILE 45 2HG1 ILE 45 -5.846 -5.027 -4.638 342 1HG2 ILE 45 1HG2 ILE 45 -7.514 -1.967 -3.379 343 2HG2 ILE 45 2HG2 ILE 45 -6.101 -1.320 -4.213 344 3HG2 ILE 45 3HG2 ILE 45 -6.133 -1.385 -2.451 345 1HD1 ILE 45 1HD1 ILE 45 -8.281 -3.258 -4.720 346 2HD1 ILE 45 2HD1 ILE 45 -8.137 -4.776 -3.835 347 3HD1 ILE 45 3HD1 ILE 45 -8.060 -4.774 -5.596 348 H ILE 46 H ILE 46 -3.268 -4.185 -1.284 349 HA ILE 46 HA ILE 46 -3.736 -2.190 0.588 350 HB ILE 46 HB ILE 46 -2.772 -4.671 0.783 351 1HG1 ILE 46 1HG1 ILE 46 -1.919 -2.777 2.930 352 2HG1 ILE 46 2HG1 ILE 46 -3.630 -2.892 2.528 353 1HG2 ILE 46 1HG2 ILE 46 -0.565 -4.047 -0.128 354 2HG2 ILE 46 2HG2 ILE 46 -0.469 -4.709 1.503 355 3HG2 ILE 46 3HG2 ILE 46 -0.328 -2.970 1.248 356 1HD1 ILE 46 1HD1 ILE 46 -1.925 -5.255 3.259 357 2HD1 ILE 46 2HD1 ILE 46 -3.681 -5.201 3.100 358 3HD1 ILE 46 3HD1 ILE 46 -2.886 -4.336 4.416 359 H GLY 47 H GLY 47 -1.086 -2.521 -1.698 360 1HA GLY 47 1HA GLY 47 0.662 -0.636 -0.527 361 2HA GLY 47 2HA GLY 47 0.681 -1.147 -2.206 362 H ASN 48 H ASN 48 -2.143 -0.233 -2.557 363 HA ASN 48 HA ASN 48 -1.535 2.399 -3.449 364 1HB ASN 48 1HB ASN 48 -4.188 0.960 -3.269 365 2HB ASN 48 2HB ASN 48 -3.919 2.483 -4.113 366 1HD2 ASN 48 1HD2 ASN 48 -3.253 -0.937 -4.086 367 2HD2 ASN 48 2HD2 ASN 48 -2.743 -1.051 -5.733 368 H PHE 49 H PHE 49 -2.102 1.391 -0.376 369 HA PHE 49 HA PHE 49 -3.770 3.648 0.396 370 1HB PHE 49 1HB PHE 49 -2.653 1.308 1.931 371 2HB PHE 49 2HB PHE 49 -3.492 2.642 2.716 372 HD1 PHE 49 HD1 PHE 49 -3.877 -0.074 0.241 373 HD2 PHE 49 HD2 PHE 49 -5.836 2.767 2.729 374 HE1 PHE 49 HE1 PHE 49 -6.033 -1.161 -0.224 375 HE2 PHE 49 HE2 PHE 49 -7.995 1.687 2.269 376 HZ PHE 49 HZ PHE 49 -8.094 -0.279 0.791 377 H GLN 50 H GLN 50 -0.458 2.520 0.786 378 HA GLN 50 HA GLN 50 1.458 3.634 1.291 379 1HB GLN 50 1HB GLN 50 -0.251 5.654 0.247 380 2HB GLN 50 2HB GLN 50 0.581 6.330 1.643 381 1HG GLN 50 1HG GLN 50 2.653 6.113 0.689 382 2HG GLN 50 2HG GLN 50 2.131 4.812 -0.380 383 1HE2 GLN 50 1HE2 GLN 50 -0.249 6.226 -1.256 384 2HE2 GLN 50 2HE2 GLN 50 0.286 7.467 -2.332 385 H ASP 51 H ASP 51 0.101 2.425 3.283 386 HA ASP 51 HA ASP 51 0.588 4.205 5.577 387 1HB ASP 51 1HB ASP 51 -1.636 2.193 5.214 388 2HB ASP 51 2HB ASP 51 -1.214 2.897 6.770 389 H GLU 52 H GLU 52 1.053 2.995 7.610 390 HA GLU 52 HA GLU 52 3.198 1.224 7.242 391 1HB GLU 52 1HB GLU 52 3.090 0.902 9.697 392 2HB GLU 52 2HB GLU 52 3.053 2.595 9.225 393 1HG GLU 52 1HG GLU 52 0.625 2.623 9.541 394 2HG GLU 52 2HG GLU 52 0.679 0.932 10.039 395 H ARG 53 H ARG 53 -0.186 0.645 8.079 396 HA ARG 53 HA ARG 53 0.076 -2.134 8.558 397 1HB ARG 53 1HB ARG 53 -1.844 -0.710 9.311 398 2HB ARG 53 2HB ARG 53 -2.395 -0.647 7.643 399 1HG ARG 53 1HG ARG 53 -2.821 -2.988 7.613 400 2HG ARG 53 2HG ARG 53 -2.041 -3.206 9.180 401 1HD ARG 53 1HD ARG 53 -4.569 -1.646 8.648 402 2HD ARG 53 2HD ARG 53 -4.470 -3.239 9.398 403 HE ARG 53 HE ARG 53 -3.121 -0.958 10.656 404 1HH1 ARG 53 1HH1 ARG 53 -5.580 -3.428 10.720 405 2HH1 ARG 53 2HH1 ARG 53 -5.945 -3.201 12.398 406 1HH2 ARG 53 1HH2 ARG 53 -3.597 -0.655 12.866 407 2HH2 ARG 53 2HH2 ARG 53 -4.819 -1.627 13.616 408 H ALA 54 H ALA 54 0.386 -0.377 5.742 409 HA ALA 54 HA ALA 54 -0.568 -2.573 4.038 410 1HB ALA 54 1HB ALA 54 -0.344 -0.892 2.194 411 2HB ALA 54 2HB ALA 54 0.019 0.316 3.427 412 3HB ALA 54 3HB ALA 54 -1.548 -0.493 3.419 413 H VAL 55 H VAL 55 2.198 -1.329 5.408 414 HA VAL 55 HA VAL 55 3.968 -2.040 3.210 415 HB VAL 55 HB VAL 55 4.518 -0.870 5.938 416 1HG1 VAL 55 1HG1 VAL 55 6.424 -1.526 3.704 417 2HG1 VAL 55 2HG1 VAL 55 6.407 -2.215 5.327 418 3HG1 VAL 55 3HG1 VAL 55 6.820 -0.517 5.094 419 1HG2 VAL 55 1HG2 VAL 55 3.419 0.623 4.314 420 2HG2 VAL 55 2HG2 VAL 55 4.744 0.341 3.186 421 3HG2 VAL 55 3HG2 VAL 55 5.050 1.154 4.721 422 H GLU 56 H GLU 56 3.061 -3.181 6.421 423 HA GLU 56 HA GLU 56 5.099 -5.075 6.761 424 1HB GLU 56 1HB GLU 56 3.531 -4.290 8.545 425 2HB GLU 56 2HB GLU 56 2.287 -5.308 7.831 426 1HG GLU 56 1HG GLU 56 4.026 -7.204 8.109 427 2HG GLU 56 2HG GLU 56 4.787 -6.100 9.254 428 HA PRO 57 HA PRO 57 1.885 -8.355 4.926 429 1HB PRO 57 1HB PRO 57 0.596 -6.538 2.968 430 2HB PRO 57 2HB PRO 57 -0.083 -7.885 3.888 431 1HG PRO 57 1HG PRO 57 -0.631 -5.378 4.580 432 2HG PRO 57 2HG PRO 57 -0.336 -6.614 5.817 433 1HD PRO 57 1HD PRO 57 1.478 -4.454 4.822 434 2HD PRO 57 2HD PRO 57 1.245 -5.058 6.475 435 H LEU 58 H LEU 58 3.600 -5.811 3.373 436 HA LEU 58 HA LEU 58 4.025 -7.305 0.934 437 1HB LEU 58 1HB LEU 58 5.470 -4.804 1.759 438 2HB LEU 58 2HB LEU 58 5.186 -5.411 0.141 439 HG LEU 58 HG LEU 58 3.156 -4.179 1.995 440 1HD1 LEU 58 1HD1 LEU 58 2.996 -2.462 0.312 441 2HD1 LEU 58 2HD1 LEU 58 4.143 -3.318 -0.719 442 3HD1 LEU 58 3HD1 LEU 58 4.677 -2.633 0.817 443 1HD2 LEU 58 1HD2 LEU 58 2.772 -5.499 -0.687 444 2HD2 LEU 58 2HD2 LEU 58 1.578 -4.467 0.098 445 3HD2 LEU 58 3HD2 LEU 58 2.064 -5.984 0.853 446 H ILE 59 H ILE 59 5.769 -6.492 3.866 447 HA ILE 59 HA ILE 59 8.321 -7.316 3.077 448 HB ILE 59 HB ILE 59 7.115 -7.379 5.839 449 1HG1 ILE 59 1HG1 ILE 59 7.060 -5.148 4.793 450 2HG1 ILE 59 2HG1 ILE 59 8.192 -5.202 6.139 451 1HG2 ILE 59 1HG2 ILE 59 9.075 -8.766 5.784 452 2HG2 ILE 59 2HG2 ILE 59 9.474 -7.256 6.603 453 3HG2 ILE 59 3HG2 ILE 59 9.987 -7.516 4.937 454 1HD1 ILE 59 1HD1 ILE 59 10.054 -5.350 4.601 455 2HD1 ILE 59 2HD1 ILE 59 9.058 -3.943 4.227 456 3HD1 ILE 59 3HD1 ILE 59 8.944 -5.394 3.231 457 H LYS 60 H LYS 60 5.825 -9.135 4.866 458 HA LYS 60 HA LYS 60 7.353 -11.539 4.931 459 1HB LYS 60 1HB LYS 60 5.544 -10.917 6.549 460 2HB LYS 60 2HB LYS 60 4.369 -11.241 5.283 461 1HG LYS 60 1HG LYS 60 4.508 -13.140 6.741 462 2HG LYS 60 2HG LYS 60 5.183 -13.569 5.169 463 1HD LYS 60 1HD LYS 60 6.609 -14.459 6.888 464 2HD LYS 60 2HD LYS 60 7.454 -13.133 6.089 465 1HE LYS 60 1HE LYS 60 6.788 -11.632 7.923 466 2HE LYS 60 2HE LYS 60 5.997 -12.987 8.727 467 1HZ LYS 60 1HZ LYS 60 8.182 -12.610 9.645 468 2HZ LYS 60 2HZ LYS 60 8.895 -12.768 8.120 469 3HZ LYS 60 3HZ LYS 60 8.150 -14.101 8.847 470 H LEU 61 H LEU 61 5.579 -10.070 2.458 471 HA LEU 61 HA LEU 61 4.797 -12.558 1.178 472 1HB LEU 61 1HB LEU 61 4.037 -9.784 1.014 473 2HB LEU 61 2HB LEU 61 4.332 -10.449 -0.582 474 HG LEU 61 HG LEU 61 2.694 -12.174 -0.228 475 1HD1 LEU 61 1HD1 LEU 61 3.055 -12.578 2.152 476 2HD1 LEU 61 2HD1 LEU 61 1.348 -12.290 1.811 477 3HD1 LEU 61 3HD1 LEU 61 2.331 -11.014 2.531 478 1HD2 LEU 61 1HD2 LEU 61 1.642 -9.487 0.606 479 2HD2 LEU 61 2HD2 LEU 61 0.684 -10.817 -0.046 480 3HD2 LEU 61 3HD2 LEU 61 1.906 -10.035 -1.049 481 H LEU 62 H LEU 62 7.203 -10.026 0.699 482 HA LEU 62 HA LEU 62 7.947 -10.734 -1.937 483 1HB LEU 62 1HB LEU 62 9.589 -9.410 0.222 484 2HB LEU 62 2HB LEU 62 9.983 -9.440 -1.487 485 HG LEU 62 HG LEU 62 7.356 -8.298 -0.652 486 1HD1 LEU 62 1HD1 LEU 62 9.927 -6.725 -0.587 487 2HD1 LEU 62 2HD1 LEU 62 9.102 -7.322 0.852 488 3HD1 LEU 62 3HD1 LEU 62 8.305 -6.152 -0.199 489 1HD2 LEU 62 1HD2 LEU 62 9.342 -7.649 -2.828 490 2HD2 LEU 62 2HD2 LEU 62 7.787 -6.852 -2.589 491 3HD2 LEU 62 3HD2 LEU 62 7.846 -8.563 -3.015 492 H GLU 63 H GLU 63 8.289 -12.411 0.922 493 HA GLU 63 HA GLU 63 10.615 -13.888 -0.095 494 1HB GLU 63 1HB GLU 63 10.850 -14.686 2.263 495 2HB GLU 63 2HB GLU 63 11.103 -12.966 2.042 496 1HG GLU 63 1HG GLU 63 8.818 -12.550 2.836 497 2HG GLU 63 2HG GLU 63 8.616 -14.281 3.108 498 H ASP 64 H ASP 64 7.282 -14.051 0.342 499 HA ASP 64 HA ASP 64 6.890 -16.736 1.019 500 1HB ASP 64 1HB ASP 64 5.206 -14.717 0.736 501 2HB ASP 64 2HB ASP 64 5.014 -15.403 -0.875 502 H ASP 65 H ASP 65 7.646 -15.201 -1.970 503 HA ASP 65 HA ASP 65 8.016 -15.953 -4.099 504 1HB ASP 65 1HB ASP 65 9.939 -16.879 -2.749 505 2HB ASP 65 2HB ASP 65 9.072 -18.411 -2.699 506 H SER 66 H SER 66 5.386 -16.636 -2.993 507 HA SER 66 HA SER 66 4.781 -19.276 -4.033 508 1HB SER 66 1HB SER 66 3.679 -18.374 -1.978 509 2HB SER 66 2HB SER 66 2.877 -17.170 -2.986 510 HG SER 66 HG SER 66 1.590 -18.668 -3.786 511 H GLY 67 H GLY 67 4.288 -15.918 -4.938 512 1HA GLY 67 1HA GLY 67 4.290 -15.655 -7.464 513 2HA GLY 67 2HA GLY 67 2.950 -16.798 -7.421 514 H PHE 68 H PHE 68 0.910 -16.088 -6.874 515 HA PHE 68 HA PHE 68 0.207 -13.421 -7.233 516 1HB PHE 68 1HB PHE 68 -1.282 -15.524 -7.198 517 2HB PHE 68 2HB PHE 68 -1.319 -15.330 -5.455 518 HD1 PHE 68 HD1 PHE 68 -3.808 -15.471 -6.514 519 HD2 PHE 68 HD2 PHE 68 -1.265 -12.043 -6.577 520 HE1 PHE 68 HE1 PHE 68 -5.773 -14.018 -6.735 521 HE2 PHE 68 HE2 PHE 68 -3.238 -10.598 -6.802 522 HZ PHE 68 HZ PHE 68 -5.491 -11.579 -6.880 523 H VAL 69 H VAL 69 1.199 -15.207 -4.429 524 HA VAL 69 HA VAL 69 0.595 -13.223 -2.472 525 HB VAL 69 HB VAL 69 2.603 -15.463 -2.225 526 1HG1 VAL 69 1HG1 VAL 69 2.735 -13.944 -0.392 527 2HG1 VAL 69 2HG1 VAL 69 1.879 -15.380 0.166 528 3HG1 VAL 69 3HG1 VAL 69 0.980 -13.912 -0.218 529 1HG2 VAL 69 1HG2 VAL 69 0.826 -16.902 -1.473 530 2HG2 VAL 69 2HG2 VAL 69 0.425 -16.289 -3.078 531 3HG2 VAL 69 3HG2 VAL 69 -0.355 -15.604 -1.653 532 H ARG 70 H ARG 70 3.715 -14.429 -3.728 533 HA ARG 70 HA ARG 70 5.233 -12.325 -2.575 534 1HB ARG 70 1HB ARG 70 6.067 -14.627 -3.197 535 2HB ARG 70 2HB ARG 70 6.060 -14.097 -4.872 536 1HG ARG 70 1HG ARG 70 7.546 -12.483 -2.857 537 2HG ARG 70 2HG ARG 70 8.243 -13.997 -3.436 538 1HD ARG 70 1HD ARG 70 7.402 -11.640 -5.121 539 2HD ARG 70 2HD ARG 70 9.055 -12.149 -4.775 540 HE ARG 70 HE ARG 70 7.162 -13.464 -6.572 541 1HH1 ARG 70 1HH1 ARG 70 10.320 -13.356 -5.103 542 2HH1 ARG 70 2HH1 ARG 70 11.018 -14.482 -6.219 543 1HH2 ARG 70 1HH2 ARG 70 8.071 -14.950 -8.043 544 2HH2 ARG 70 2HH2 ARG 70 9.739 -15.390 -7.889 545 H SER 71 H SER 71 4.685 -13.052 -6.032 546 HA SER 71 HA SER 71 5.692 -10.706 -7.084 547 1HB SER 71 1HB SER 71 4.998 -12.703 -8.411 548 2HB SER 71 2HB SER 71 3.317 -12.226 -8.166 549 HG SER 71 HG SER 71 5.175 -10.419 -9.266 550 H GLY 72 H GLY 72 2.724 -11.246 -5.414 551 1HA GLY 72 1HA GLY 72 1.254 -9.025 -6.332 552 2HA GLY 72 2HA GLY 72 1.028 -9.835 -4.787 553 H ALA 73 H ALA 73 2.998 -9.365 -3.246 554 HA ALA 73 HA ALA 73 2.883 -6.643 -2.591 555 1HB ALA 73 1HB ALA 73 4.624 -7.161 -0.940 556 2HB ALA 73 2HB ALA 73 4.862 -8.735 -1.699 557 3HB ALA 73 3HB ALA 73 3.323 -8.351 -0.926 558 H ALA 74 H ALA 74 4.986 -8.417 -4.700 559 HA ALA 74 HA ALA 74 7.288 -6.884 -4.711 560 1HB ALA 74 1HB ALA 74 7.045 -8.981 -5.949 561 2HB ALA 74 2HB ALA 74 7.658 -7.686 -6.979 562 3HB ALA 74 3HB ALA 74 5.969 -8.180 -7.092 563 H ARG 75 H ARG 75 4.303 -6.390 -6.561 564 HA ARG 75 HA ARG 75 5.291 -3.946 -7.722 565 1HB ARG 75 1HB ARG 75 2.964 -3.776 -8.645 566 2HB ARG 75 2HB ARG 75 3.813 -5.254 -9.076 567 1HG ARG 75 1HG ARG 75 2.594 -6.484 -7.382 568 2HG ARG 75 2HG ARG 75 1.784 -5.004 -6.865 569 1HD ARG 75 1HD ARG 75 0.417 -6.468 -8.354 570 2HD ARG 75 2HD ARG 75 0.635 -4.820 -8.948 571 HE ARG 75 HE ARG 75 2.487 -6.830 -9.947 572 1HH1 ARG 75 1HH1 ARG 75 -0.385 -4.927 -10.471 573 2HH1 ARG 75 2HH1 ARG 75 -0.381 -5.157 -12.188 574 1HH2 ARG 75 1HH2 ARG 75 2.500 -7.139 -12.208 575 2HH2 ARG 75 2HH2 ARG 75 1.258 -6.415 -13.175 576 H SER 76 H SER 76 3.306 -4.903 -5.027 577 HA SER 76 HA SER 76 1.929 -2.576 -4.459 578 1HB SER 76 1HB SER 76 3.173 -4.405 -2.399 579 2HB SER 76 2HB SER 76 1.758 -3.373 -2.188 580 HG SER 76 HG SER 76 0.940 -4.710 -4.079 581 H LEU 77 H LEU 77 5.241 -3.456 -3.517 582 HA LEU 77 HA LEU 77 5.807 -1.278 -1.892 583 1HB LEU 77 1HB LEU 77 7.470 -3.072 -3.603 584 2HB LEU 77 2HB LEU 77 8.214 -1.654 -2.895 585 HG LEU 77 HG LEU 77 7.381 -2.500 -0.647 586 1HD1 LEU 77 1HD1 LEU 77 6.918 -4.880 -0.486 587 2HD1 LEU 77 2HD1 LEU 77 7.002 -5.023 -2.241 588 3HD1 LEU 77 3HD1 LEU 77 5.722 -4.066 -1.494 589 1HD2 LEU 77 1HD2 LEU 77 9.200 -4.242 -0.520 590 2HD2 LEU 77 2HD2 LEU 77 9.692 -2.657 -1.110 591 3HD2 LEU 77 3HD2 LEU 77 9.450 -3.984 -2.246 592 H GLU 78 H GLU 78 6.666 -1.605 -5.341 593 HA GLU 78 HA GLU 78 7.549 0.960 -5.786 594 1HB GLU 78 1HB GLU 78 5.987 -0.714 -7.755 595 2HB GLU 78 2HB GLU 78 7.107 0.585 -8.139 596 1HG GLU 78 1HG GLU 78 8.903 -0.776 -7.026 597 2HG GLU 78 2HG GLU 78 7.743 -2.103 -6.960 598 H GLN 79 H GLN 79 4.234 -0.179 -5.546 599 HA GLN 79 HA GLN 79 2.970 2.059 -6.702 600 1HB GLN 79 1HB GLN 79 1.988 0.141 -4.580 601 2HB GLN 79 2HB GLN 79 0.976 1.352 -5.351 602 1HG GLN 79 1HG GLN 79 1.708 0.234 -7.556 603 2HG GLN 79 2HG GLN 79 2.184 -1.113 -6.524 604 1HE2 GLN 79 1HE2 GLN 79 0.594 -2.270 -5.407 605 2HE2 GLN 79 2HE2 GLN 79 -1.073 -2.182 -5.847 606 H ILE 80 H ILE 80 4.140 1.409 -3.455 607 HA ILE 80 HA ILE 80 3.021 3.740 -2.258 608 HB ILE 80 HB ILE 80 5.374 2.074 -1.345 609 1HG1 ILE 80 1HG1 ILE 80 2.461 1.910 -0.539 610 2HG1 ILE 80 2HG1 ILE 80 3.262 0.792 -1.638 611 1HG2 ILE 80 1HG2 ILE 80 5.261 4.307 -0.309 612 2HG2 ILE 80 2HG2 ILE 80 4.972 3.011 0.852 613 3HG2 ILE 80 3HG2 ILE 80 3.620 3.954 0.229 614 1HD1 ILE 80 1HD1 ILE 80 3.080 -0.165 0.572 615 2HD1 ILE 80 2HD1 ILE 80 3.927 1.218 1.265 616 3HD1 ILE 80 3HD1 ILE 80 4.773 0.124 0.171 617 H GLY 81 H GLY 81 6.354 2.903 -3.216 618 1HA GLY 81 1HA GLY 81 8.102 4.207 -3.916 619 2HA GLY 81 2HA GLY 81 6.911 5.393 -4.396 620 H GLY 82 H GLY 82 8.938 6.651 -3.705 621 1HA GLY 82 1HA GLY 82 9.642 8.330 -2.297 622 2HA GLY 82 2HA GLY 82 8.295 7.940 -1.238 623 H GLU 83 H GLU 83 10.648 8.643 -0.123 624 HA GLU 83 HA GLU 83 12.511 6.657 0.415 625 1HB GLU 83 1HB GLU 83 12.865 8.975 1.057 626 2HB GLU 83 2HB GLU 83 11.532 8.892 2.201 627 1HG GLU 83 1HG GLU 83 12.785 7.197 3.485 628 2HG GLU 83 2HG GLU 83 14.136 7.393 2.369 629 H ARG 84 H ARG 84 9.256 6.925 1.419 630 HA ARG 84 HA ARG 84 9.300 5.564 3.866 631 1HB ARG 84 1HB ARG 84 7.063 5.444 1.846 632 2HB ARG 84 2HB ARG 84 6.938 5.250 3.586 633 1HG ARG 84 1HG ARG 84 6.148 7.377 3.312 634 2HG ARG 84 2HG ARG 84 7.853 7.693 3.640 635 1HD ARG 84 1HD ARG 84 8.299 8.281 1.456 636 2HD ARG 84 2HD ARG 84 6.960 7.329 0.815 637 HE ARG 84 HE ARG 84 5.757 9.298 2.267 638 1HH1 ARG 84 1HH1 ARG 84 8.079 9.241 -0.332 639 2HH1 ARG 84 2HH1 ARG 84 7.562 10.753 -0.998 640 1HH2 ARG 84 1HH2 ARG 84 5.072 11.291 1.394 641 2HH2 ARG 84 2HH2 ARG 84 5.855 11.919 -0.016 642 H VAL 85 H VAL 85 8.204 4.244 0.745 643 HA VAL 85 HA VAL 85 8.438 1.554 1.647 644 HB VAL 85 HB VAL 85 6.950 2.510 -0.247 645 1HG1 VAL 85 1HG1 VAL 85 7.882 2.211 -2.500 646 2HG1 VAL 85 2HG1 VAL 85 9.469 1.924 -1.788 647 3HG1 VAL 85 3HG1 VAL 85 8.689 3.494 -1.600 648 1HG2 VAL 85 1HG2 VAL 85 8.396 -0.121 -0.458 649 2HG2 VAL 85 2HG2 VAL 85 6.959 0.295 -1.389 650 3HG2 VAL 85 3HG2 VAL 85 6.872 0.204 0.369 651 H ARG 86 H ARG 86 10.560 3.842 0.248 652 HA ARG 86 HA ARG 86 12.432 2.261 -1.062 653 1HB ARG 86 1HB ARG 86 12.422 4.749 -1.024 654 2HB ARG 86 2HB ARG 86 13.030 4.698 0.625 655 1HG ARG 86 1HG ARG 86 15.030 3.492 -0.198 656 2HG ARG 86 2HG ARG 86 14.431 3.696 -1.844 657 1HD ARG 86 1HD ARG 86 16.030 5.420 -1.425 658 2HD ARG 86 2HD ARG 86 14.431 6.162 -1.457 659 HE ARG 86 HE ARG 86 14.689 5.808 1.131 660 1HH1 ARG 86 1HH1 ARG 86 17.095 6.874 -1.155 661 2HH1 ARG 86 2HH1 ARG 86 17.954 7.836 0.003 662 1HH2 ARG 86 1HH2 ARG 86 15.815 7.071 2.660 663 2HH2 ARG 86 2HH2 ARG 86 17.226 7.947 2.170 664 H ALA 87 H ALA 87 11.705 2.387 2.279 665 HA ALA 87 HA ALA 87 14.262 1.442 3.209 666 1HB ALA 87 1HB ALA 87 13.133 1.210 5.382 667 2HB ALA 87 2HB ALA 87 11.597 1.609 4.613 668 3HB ALA 87 3HB ALA 87 12.889 2.807 4.674 669 H ALA 88 H ALA 88 11.126 0.067 2.407 670 HA ALA 88 HA ALA 88 11.478 -2.502 3.429 671 1HB ALA 88 1HB ALA 88 9.728 -3.190 1.913 672 2HB ALA 88 2HB ALA 88 9.962 -1.741 0.935 673 3HB ALA 88 3HB ALA 88 9.340 -1.604 2.579 674 H MET 89 H MET 89 12.560 -1.043 0.413 675 HA MET 89 HA MET 89 13.407 -3.350 -0.924 676 1HB MET 89 1HB MET 89 14.964 -0.786 -1.069 677 2HB MET 89 2HB MET 89 14.641 -1.950 -2.344 678 1HG MET 89 1HG MET 89 12.710 -0.003 -1.129 679 2HG MET 89 2HG MET 89 13.385 0.028 -2.758 680 1HE MET 89 1HE MET 89 9.537 -0.651 -2.951 681 2HE MET 89 2HE MET 89 10.665 0.528 -2.282 682 3HE MET 89 3HE MET 89 9.925 -0.678 -1.230 683 H GLU 90 H GLU 90 15.424 -1.037 0.847 684 HA GLU 90 HA GLU 90 17.755 -2.499 0.969 685 1HB GLU 90 1HB GLU 90 16.723 -0.745 3.201 686 2HB GLU 90 2HB GLU 90 18.402 -1.115 2.836 687 1HG GLU 90 1HG GLU 90 18.175 0.078 0.696 688 2HG GLU 90 2HG GLU 90 16.516 0.491 1.126 689 H LYS 91 H LYS 91 14.902 -2.735 3.029 690 HA LYS 91 HA LYS 91 16.108 -4.523 4.909 691 1HB LYS 91 1HB LYS 91 13.253 -3.740 4.357 692 2HB LYS 91 2HB LYS 91 13.676 -4.937 5.573 693 1HG LYS 91 1HG LYS 91 14.608 -2.073 5.527 694 2HG LYS 91 2HG LYS 91 13.334 -2.731 6.554 695 1HD LYS 91 1HD LYS 91 16.226 -3.601 6.584 696 2HD LYS 91 2HD LYS 91 15.480 -2.501 7.745 697 1HE LYS 91 1HE LYS 91 14.686 -5.374 7.270 698 2HE LYS 91 2HE LYS 91 15.643 -4.781 8.628 699 1HZ LYS 91 1HZ LYS 91 13.307 -5.089 9.211 700 2HZ LYS 91 2HZ LYS 91 12.848 -3.973 8.025 701 3HZ LYS 91 3HZ LYS 91 13.767 -3.467 9.352 702 H LEU 92 H LEU 92 14.462 -4.942 1.861 703 HA LEU 92 HA LEU 92 14.101 -7.778 2.296 704 1HB LEU 92 1HB LEU 92 12.359 -7.063 1.016 705 2HB LEU 92 2HB LEU 92 13.287 -5.775 0.276 706 HG LEU 92 HG LEU 92 14.432 -7.511 -1.109 707 1HD1 LEU 92 1HD1 LEU 92 13.305 -9.690 -1.343 708 2HD1 LEU 92 2HD1 LEU 92 12.252 -9.274 0.009 709 3HD1 LEU 92 3HD1 LEU 92 13.985 -9.464 0.268 710 1HD2 LEU 92 1HD2 LEU 92 12.555 -7.766 -2.664 711 2HD2 LEU 92 2HD2 LEU 92 12.634 -6.134 -2.003 712 3HD2 LEU 92 3HD2 LEU 92 11.440 -7.277 -1.390 713 H ALA 93 H ALA 93 16.338 -5.577 0.835 714 HA ALA 93 HA ALA 93 17.705 -7.250 -0.917 715 1HB ALA 93 1HB ALA 93 18.043 -4.821 -0.800 716 2HB ALA 93 2HB ALA 93 19.569 -5.698 -0.695 717 3HB ALA 93 3HB ALA 93 18.843 -5.014 0.760 718 H GLU 94 H GLU 94 17.765 -7.042 2.554 719 HA GLU 94 HA GLU 94 20.167 -8.608 2.871 720 1HB GLU 94 1HB GLU 94 18.083 -8.134 4.994 721 2HB GLU 94 2HB GLU 94 19.808 -8.405 5.201 722 1HG GLU 94 1HG GLU 94 18.572 -5.970 3.950 723 2HG GLU 94 2HG GLU 94 19.150 -6.077 5.613 724 H THR 95 H THR 95 16.763 -9.130 2.601 725 HA THR 95 HA THR 95 17.131 -12.001 3.148 726 HB THR 95 HB THR 95 14.671 -12.099 3.477 727 HG1 THR 95 HG1 THR 95 14.856 -9.551 2.534 728 1HG2 THR 95 1HG2 THR 95 16.082 -11.859 5.431 729 2HG2 THR 95 2HG2 THR 95 14.613 -10.905 5.644 730 3HG2 THR 95 3HG2 THR 95 16.128 -10.108 5.218 731 H GLY 96 H GLY 96 17.736 -10.488 0.719 732 1HA GLY 96 1HA GLY 96 15.881 -10.608 -1.299 733 2HA GLY 96 2HA GLY 96 17.606 -10.806 -1.538 734 H THR 97 H THR 97 14.713 -12.148 -2.104 735 HA THR 97 HA THR 97 15.910 -14.762 -2.638 736 HB THR 97 HB THR 97 14.794 -15.186 -0.561 737 HG1 THR 97 HG1 THR 97 14.300 -16.919 -1.723 738 1HG2 THR 97 1HG2 THR 97 13.341 -13.220 -0.511 739 2HG2 THR 97 2HG2 THR 97 12.419 -14.694 -0.210 740 3HG2 THR 97 3HG2 THR 97 12.346 -13.915 -1.791 741 H GLY 98 H GLY 98 15.390 -15.502 -4.614 742 1HA GLY 98 1HA GLY 98 14.280 -15.744 -6.620 743 2HA GLY 98 2HA GLY 98 12.882 -14.981 -5.877 744 H PHE 99 H PHE 99 12.276 -13.401 -7.222 745 HA PHE 99 HA PHE 99 14.315 -11.744 -8.507 746 1HB PHE 99 1HB PHE 99 12.837 -11.407 -10.186 747 2HB PHE 99 2HB PHE 99 12.047 -12.827 -9.520 748 HD1 PHE 99 HD1 PHE 99 10.400 -12.094 -7.411 749 HD2 PHE 99 HD2 PHE 99 11.443 -9.738 -10.804 750 HE1 PHE 99 HE1 PHE 99 8.329 -10.794 -7.146 751 HE2 PHE 99 HE2 PHE 99 9.378 -8.431 -10.535 752 HZ PHE 99 HZ PHE 99 7.818 -8.960 -8.707 753 H ALA 100 H ALA 100 12.226 -11.713 -5.838 754 HA ALA 100 HA ALA 100 11.526 -9.029 -5.594 755 1HB ALA 100 1HB ALA 100 10.599 -10.717 -4.132 756 2HB ALA 100 2HB ALA 100 11.390 -9.473 -3.166 757 3HB ALA 100 3HB ALA 100 12.186 -11.024 -3.429 758 H ARG 101 H ARG 101 14.523 -10.697 -4.799 759 HA ARG 101 HA ARG 101 15.813 -8.692 -3.355 760 1HB ARG 101 1HB ARG 101 16.693 -10.972 -3.590 761 2HB ARG 101 2HB ARG 101 17.004 -10.677 -5.294 762 1HG ARG 101 1HG ARG 101 18.754 -9.196 -4.844 763 2HG ARG 101 2HG ARG 101 18.257 -8.985 -3.163 764 1HD ARG 101 1HD ARG 101 18.883 -11.280 -2.670 765 2HD ARG 101 2HD ARG 101 19.326 -11.539 -4.357 766 HE ARG 101 HE ARG 101 20.863 -9.429 -3.596 767 1HH1 ARG 101 1HH1 ARG 101 20.340 -12.625 -2.314 768 2HH1 ARG 101 2HH1 ARG 101 21.947 -12.777 -1.689 769 1HH2 ARG 101 1HH2 ARG 101 22.983 -9.620 -2.778 770 2HH2 ARG 101 2HH2 ARG 101 23.450 -11.070 -1.952 771 H LYS 102 H LYS 102 16.234 -9.442 -6.810 772 HA LYS 102 HA LYS 102 17.706 -7.214 -7.526 773 1HB LYS 102 1HB LYS 102 17.575 -8.881 -9.155 774 2HB LYS 102 2HB LYS 102 15.824 -9.012 -9.024 775 1HG LYS 102 1HG LYS 102 15.537 -6.922 -10.185 776 2HG LYS 102 2HG LYS 102 17.281 -6.651 -10.205 777 1HD LYS 102 1HD LYS 102 17.608 -8.546 -11.655 778 2HD LYS 102 2HD LYS 102 15.906 -8.991 -11.522 779 1HE LYS 102 1HE LYS 102 15.252 -6.954 -12.654 780 2HE LYS 102 2HE LYS 102 16.930 -6.414 -12.709 781 1HZ LYS 102 1HZ LYS 102 16.196 -7.368 -14.819 782 2HZ LYS 102 2HZ LYS 102 15.871 -8.842 -14.056 783 3HZ LYS 102 3HZ LYS 102 17.460 -8.268 -14.144 784 H VAL 103 H VAL 103 14.275 -7.579 -7.043 785 HA VAL 103 HA VAL 103 13.392 -5.217 -8.272 786 HB VAL 103 HB VAL 103 12.263 -6.971 -6.117 787 1HG1 VAL 103 1HG1 VAL 103 11.083 -4.378 -7.110 788 2HG1 VAL 103 2HG1 VAL 103 11.511 -4.791 -5.450 789 3HG1 VAL 103 3HG1 VAL 103 10.169 -5.613 -6.246 790 1HG2 VAL 103 1HG2 VAL 103 11.337 -6.268 -8.899 791 2HG2 VAL 103 2HG2 VAL 103 10.559 -7.416 -7.809 792 3HG2 VAL 103 3HG2 VAL 103 12.177 -7.744 -8.430 793 H ALA 104 H ALA 104 14.171 -5.859 -4.844 794 HA ALA 104 HA ALA 104 13.610 -3.339 -3.829 795 1HB ALA 104 1HB ALA 104 13.955 -5.096 -2.310 796 2HB ALA 104 2HB ALA 104 15.290 -3.976 -2.044 797 3HB ALA 104 3HB ALA 104 15.551 -5.458 -2.965 798 H VAL 105 H VAL 105 16.848 -4.578 -4.597 799 HA VAL 105 HA VAL 105 18.225 -2.198 -4.181 800 HB VAL 105 HB VAL 105 19.409 -4.283 -4.259 801 1HG1 VAL 105 1HG1 VAL 105 18.781 -4.428 -7.202 802 2HG1 VAL 105 2HG1 VAL 105 17.983 -5.385 -5.953 803 3HG1 VAL 105 3HG1 VAL 105 19.708 -5.592 -6.255 804 1HG2 VAL 105 1HG2 VAL 105 21.301 -3.674 -5.632 805 2HG2 VAL 105 2HG2 VAL 105 20.625 -2.225 -4.888 806 3HG2 VAL 105 3HG2 VAL 105 20.297 -2.582 -6.584 807 H ASN 106 H ASN 106 17.184 -3.584 -7.298 808 HA ASN 106 HA ASN 106 18.148 -1.481 -8.881 809 1HB ASN 106 1HB ASN 106 17.572 -3.650 -9.821 810 2HB ASN 106 2HB ASN 106 15.877 -3.402 -9.414 811 1HD2 ASN 106 1HD2 ASN 106 15.173 -3.568 -11.510 812 2HD2 ASN 106 2HD2 ASN 106 15.486 -2.362 -12.705 813 H TYR 107 H TYR 107 15.027 -1.903 -7.268 814 HA TYR 107 HA TYR 107 13.654 0.140 -8.605 815 1HB TYR 107 1HB TYR 107 12.424 -1.511 -7.406 816 2HB TYR 107 2HB TYR 107 13.294 -1.167 -5.917 817 HD1 TYR 107 HD1 TYR 107 12.404 0.214 -4.380 818 HD2 TYR 107 HD2 TYR 107 11.034 0.477 -8.385 819 HE1 TYR 107 HE1 TYR 107 10.696 1.850 -3.680 820 HE2 TYR 107 HE2 TYR 107 9.320 2.101 -7.712 821 HH TYR 107 HH TYR 107 8.103 2.748 -5.674 822 H LEU 108 H LEU 108 16.019 0.160 -6.105 823 HA LEU 108 HA LEU 108 15.470 2.499 -4.736 824 1HB LEU 108 1HB LEU 108 18.093 1.239 -5.500 825 2HB LEU 108 2HB LEU 108 17.982 2.627 -4.443 826 HG LEU 108 HG LEU 108 16.686 -0.037 -3.876 827 1HD1 LEU 108 1HD1 LEU 108 18.471 -0.300 -2.194 828 2HD1 LEU 108 2HD1 LEU 108 19.259 1.140 -2.839 829 3HD1 LEU 108 3HD1 LEU 108 19.084 -0.295 -3.847 830 1HD2 LEU 108 1HD2 LEU 108 15.555 1.823 -2.804 831 2HD2 LEU 108 2HD2 LEU 108 17.089 2.415 -2.167 832 3HD2 LEU 108 3HD2 LEU 108 16.438 0.875 -1.608 833 H GLU 109 H GLU 109 16.528 2.092 -7.990 834 HA GLU 109 HA GLU 109 17.595 4.740 -8.312 835 1HB GLU 109 1HB GLU 109 16.738 2.725 -10.398 836 2HB GLU 109 2HB GLU 109 17.651 4.194 -10.711 837 1HG GLU 109 1HG GLU 109 19.488 3.346 -9.343 838 2HG GLU 109 2HG GLU 109 18.573 1.871 -9.034 839 H THR 110 H THR 110 14.589 3.931 -7.609 840 HA THR 110 HA THR 110 13.432 6.047 -9.297 841 HB THR 110 HB THR 110 11.972 3.532 -8.478 842 HG1 THR 110 HG1 THR 110 12.087 3.508 -11.020 843 1HG2 THR 110 1HG2 THR 110 11.184 5.773 -10.344 844 2HG2 THR 110 2HG2 THR 110 10.533 5.505 -8.728 845 3HG2 THR 110 3HG2 THR 110 10.236 4.325 -10.005 846 H HIS 111 H HIS 111 12.837 4.065 -6.398 847 HA HIS 111 HA HIS 111 11.716 4.503 -4.467 848 1HB HIS 111 1HB HIS 111 12.598 6.510 -3.237 849 2HB HIS 111 2HB HIS 111 13.828 5.410 -3.844 850 HD1 HIS 111 HD1 HIS 111 15.271 6.261 -5.868 851 HD2 HIS 111 HD2 HIS 111 12.712 9.093 -4.224 852 HE1 HIS 111 HE1 HIS 111 16.054 8.476 -6.763 853 HE2 HIS 111 HE2 HIS 111 14.434 10.163 -5.828 Start of MODEL 28 1 H MET 1 H MET 1 -13.312 7.004 19.125 2 HA MET 1 HA MET 1 -14.082 6.755 16.832 3 1HB MET 1 1HB MET 1 -15.297 9.478 17.347 4 2HB MET 1 2HB MET 1 -15.204 8.686 15.781 5 1HG MET 1 1HG MET 1 -16.679 6.944 16.507 6 2HG MET 1 2HG MET 1 -16.669 7.564 18.157 7 1HE MET 1 1HE MET 1 -19.473 7.004 16.475 8 2HE MET 1 2HE MET 1 -20.312 8.377 17.200 9 3HE MET 1 3HE MET 1 -19.208 7.404 18.173 10 H ALA 2 H ALA 2 -13.036 9.704 18.496 11 HA ALA 2 HA ALA 2 -11.211 11.039 18.250 12 1HB ALA 2 1HB ALA 2 -9.126 9.984 17.520 13 2HB ALA 2 2HB ALA 2 -10.036 8.585 16.950 14 3HB ALA 2 3HB ALA 2 -9.998 8.971 18.670 15 H ASP 3 H ASP 3 -9.400 11.575 16.390 16 HA ASP 3 HA ASP 3 -10.989 12.630 14.222 17 1HB ASP 3 1HB ASP 3 -8.022 12.890 14.767 18 2HB ASP 3 2HB ASP 3 -8.940 13.821 13.586 19 H GLU 4 H GLU 4 -9.174 9.834 14.767 20 HA GLU 4 HA GLU 4 -8.254 9.427 12.077 21 1HB GLU 4 1HB GLU 4 -8.518 7.488 14.382 22 2HB GLU 4 2HB GLU 4 -7.694 7.152 12.865 23 1HG GLU 4 1HG GLU 4 -6.085 8.917 13.335 24 2HG GLU 4 2HG GLU 4 -6.918 9.281 14.847 25 H ASN 5 H ASN 5 -10.557 7.535 14.041 26 HA ASN 5 HA ASN 5 -11.820 6.515 11.652 27 1HB ASN 5 1HB ASN 5 -12.377 6.091 14.591 28 2HB ASN 5 2HB ASN 5 -13.303 5.325 13.305 29 1HD2 ASN 5 1HD2 ASN 5 -12.699 3.267 13.932 30 2HD2 ASN 5 2HD2 ASN 5 -11.104 2.653 13.682 31 H LYS 6 H LYS 6 -13.783 7.051 10.842 32 HA LYS 6 HA LYS 6 -15.462 8.949 12.293 33 1HB LYS 6 1HB LYS 6 -13.978 10.320 10.893 34 2HB LYS 6 2HB LYS 6 -14.476 9.414 9.472 35 1HG LYS 6 1HG LYS 6 -16.717 10.262 9.652 36 2HG LYS 6 2HG LYS 6 -16.334 11.054 11.182 37 1HD LYS 6 1HD LYS 6 -14.704 12.477 10.030 38 2HD LYS 6 2HD LYS 6 -15.100 11.688 8.503 39 1HE LYS 6 1HE LYS 6 -17.018 13.258 10.222 40 2HE LYS 6 2HE LYS 6 -16.243 13.845 8.750 41 1HZ LYS 6 1HZ LYS 6 -18.463 13.093 8.271 42 2HZ LYS 6 2HZ LYS 6 -18.148 11.575 8.946 43 3HZ LYS 6 3HZ LYS 6 -17.355 12.050 7.531 44 H TRP 7 H TRP 7 -15.011 6.615 9.744 45 HA TRP 7 HA TRP 7 -17.717 5.722 9.986 46 1HB TRP 7 1HB TRP 7 -18.385 6.088 7.658 47 2HB TRP 7 2HB TRP 7 -18.066 7.618 8.466 48 HD1 TRP 7 HD1 TRP 7 -15.401 8.567 7.949 49 HE1 TRP 7 HE1 TRP 7 -14.229 8.649 5.659 50 HE3 TRP 7 HE3 TRP 7 -18.233 5.113 5.459 51 HZ2 TRP 7 HZ2 TRP 7 -14.474 7.418 3.132 52 HZ3 TRP 7 HZ3 TRP 7 -17.699 4.624 3.107 53 HH2 TRP 7 HH2 TRP 7 -15.858 5.754 1.969 54 H VAL 8 H VAL 8 -15.147 4.595 10.371 55 HA VAL 8 HA VAL 8 -14.293 3.002 8.207 56 HB VAL 8 HB VAL 8 -12.845 3.399 10.124 57 1HG1 VAL 8 1HG1 VAL 8 -14.474 3.462 11.902 58 2HG1 VAL 8 2HG1 VAL 8 -13.254 2.242 12.267 59 3HG1 VAL 8 3HG1 VAL 8 -14.840 1.752 11.672 60 1HG2 VAL 8 1HG2 VAL 8 -12.110 1.053 10.542 61 2HG2 VAL 8 2HG2 VAL 8 -12.344 1.441 8.838 62 3HG2 VAL 8 3HG2 VAL 8 -13.559 0.500 9.702 63 H ARG 9 H ARG 9 -14.966 1.117 7.430 64 HA ARG 9 HA ARG 9 -16.345 -0.601 6.942 65 1HB ARG 9 1HB ARG 9 -16.467 -2.337 8.523 66 2HB ARG 9 2HB ARG 9 -14.976 -1.491 8.895 67 1HG ARG 9 1HG ARG 9 -15.963 -0.437 10.793 68 2HG ARG 9 2HG ARG 9 -17.565 -1.034 10.355 69 1HD ARG 9 1HD ARG 9 -16.815 -3.327 10.702 70 2HD ARG 9 2HD ARG 9 -15.199 -2.749 11.102 71 HE ARG 9 HE ARG 9 -16.868 -1.478 12.864 72 1HH1 ARG 9 1HH1 ARG 9 -16.171 -4.789 12.035 73 2HH1 ARG 9 2HH1 ARG 9 -16.500 -5.392 13.625 74 1HH2 ARG 9 1HH2 ARG 9 -17.304 -2.261 14.962 75 2HH2 ARG 9 2HH2 ARG 9 -17.143 -3.954 15.290 76 H ARG 10 H ARG 10 -17.480 2.002 7.807 77 HA ARG 10 HA ARG 10 -20.144 1.171 8.664 78 1HB ARG 10 1HB ARG 10 -19.532 3.066 9.879 79 2HB ARG 10 2HB ARG 10 -18.686 3.788 8.519 80 1HG ARG 10 1HG ARG 10 -20.751 4.362 7.463 81 2HG ARG 10 2HG ARG 10 -21.670 3.496 8.695 82 1HD ARG 10 1HD ARG 10 -20.797 5.052 10.397 83 2HD ARG 10 2HD ARG 10 -19.955 5.938 9.127 84 HE ARG 10 HE ARG 10 -22.639 5.815 8.414 85 1HH1 ARG 10 1HH1 ARG 10 -20.668 7.197 10.934 86 2HH1 ARG 10 2HH1 ARG 10 -21.740 8.528 11.218 87 1HH2 ARG 10 1HH2 ARG 10 -24.054 7.565 8.785 88 2HH2 ARG 10 2HH2 ARG 10 -23.661 8.737 9.998 89 H ASP 11 H ASP 11 -21.334 0.429 7.014 90 HA ASP 11 HA ASP 11 -22.569 0.465 5.088 91 1HB ASP 11 1HB ASP 11 -22.702 2.942 5.466 92 2HB ASP 11 2HB ASP 11 -21.256 3.113 4.477 93 H VAL 12 H VAL 12 -19.296 0.395 5.354 94 HA VAL 12 HA VAL 12 -18.328 0.453 2.736 95 HB VAL 12 HB VAL 12 -17.356 -1.147 5.110 96 1HG1 VAL 12 1HG1 VAL 12 -16.524 -2.086 2.991 97 2HG1 VAL 12 2HG1 VAL 12 -15.238 -1.357 3.953 98 3HG1 VAL 12 3HG1 VAL 12 -15.888 -0.498 2.558 99 1HG2 VAL 12 1HG2 VAL 12 -16.463 1.501 3.978 100 2HG2 VAL 12 2HG2 VAL 12 -15.727 0.661 5.343 101 3HG2 VAL 12 3HG2 VAL 12 -17.380 1.262 5.466 102 H SER 13 H SER 13 -18.390 -2.618 4.485 103 HA SER 13 HA SER 13 -18.892 -4.735 3.840 104 1HB SER 13 1HB SER 13 -21.180 -3.948 3.944 105 2HB SER 13 2HB SER 13 -21.063 -3.282 2.316 106 HG SER 13 HG SER 13 -21.680 -5.780 3.078 107 H THR 14 H THR 14 -17.215 -5.510 2.704 108 HA THR 14 HA THR 14 -15.863 -6.076 0.959 109 HB THR 14 HB THR 14 -17.004 -6.996 -0.997 110 HG1 THR 14 HG1 THR 14 -19.247 -6.734 -1.212 111 1HG2 THR 14 1HG2 THR 14 -16.944 -8.273 1.126 112 2HG2 THR 14 2HG2 THR 14 -18.354 -8.656 0.137 113 3HG2 THR 14 3HG2 THR 14 -18.522 -7.603 1.542 114 H ALA 15 H ALA 15 -16.375 -3.190 1.240 115 HA ALA 15 HA ALA 15 -16.369 -2.209 -1.499 116 1HB ALA 15 1HB ALA 15 -15.845 -0.407 0.804 117 2HB ALA 15 2HB ALA 15 -17.453 -1.114 0.644 118 3HB ALA 15 3HB ALA 15 -16.789 -0.129 -0.660 119 H LEU 16 H LEU 16 -14.157 -3.590 0.431 120 HA LEU 16 HA LEU 16 -11.914 -2.075 0.605 121 1HB LEU 16 1HB LEU 16 -10.617 -4.076 0.607 122 2HB LEU 16 2HB LEU 16 -12.138 -4.397 1.408 123 HG LEU 16 HG LEU 16 -11.739 -6.322 0.160 124 1HD1 LEU 16 1HD1 LEU 16 -13.407 -6.390 -1.608 125 2HD1 LEU 16 2HD1 LEU 16 -13.485 -4.628 -1.611 126 3HD1 LEU 16 3HD1 LEU 16 -14.008 -5.532 -0.189 127 1HD2 LEU 16 1HD2 LEU 16 -11.092 -4.714 -2.296 128 2HD2 LEU 16 2HD2 LEU 16 -10.884 -6.447 -2.045 129 3HD2 LEU 16 3HD2 LEU 16 -9.874 -5.300 -1.165 130 H SER 17 H SER 17 -13.371 -3.131 -2.339 131 HA SER 17 HA SER 17 -11.244 -3.206 -4.101 132 1HB SER 17 1HB SER 17 -14.009 -2.071 -4.583 133 2HB SER 17 2HB SER 17 -12.861 -2.511 -5.847 134 HG SER 17 HG SER 17 -13.301 -4.557 -5.544 135 H ARG 18 H ARG 18 -12.962 -0.400 -2.831 136 HA ARG 18 HA ARG 18 -10.701 1.290 -3.165 137 1HB ARG 18 1HB ARG 18 -11.453 1.256 -5.499 138 2HB ARG 18 2HB ARG 18 -13.057 1.773 -4.997 139 1HG ARG 18 1HG ARG 18 -12.164 3.884 -4.220 140 2HG ARG 18 2HG ARG 18 -10.530 3.366 -4.639 141 1HD ARG 18 1HD ARG 18 -12.807 3.651 -6.592 142 2HD ARG 18 2HD ARG 18 -11.548 4.859 -6.332 143 HE ARG 18 HE ARG 18 -10.021 2.856 -6.975 144 1HH1 ARG 18 1HH1 ARG 18 -13.136 3.629 -8.336 145 2HH1 ARG 18 2HH1 ARG 18 -12.774 2.941 -9.883 146 1HH2 ARG 18 1HH2 ARG 18 -9.537 1.946 -9.004 147 2HH2 ARG 18 2HH2 ARG 18 -10.725 1.982 -10.264 148 H MET 19 H MET 19 -11.100 1.653 -0.977 149 HA MET 19 HA MET 19 -13.342 3.472 -0.444 150 1HB MET 19 1HB MET 19 -13.271 2.309 1.923 151 2HB MET 19 2HB MET 19 -14.222 1.636 0.607 152 1HG MET 19 1HG MET 19 -13.063 -0.152 1.640 153 2HG MET 19 2HG MET 19 -12.300 0.138 0.080 154 1HE MET 19 1HE MET 19 -9.926 -0.321 -0.032 155 2HE MET 19 2HE MET 19 -10.294 -1.492 1.234 156 3HE MET 19 3HE MET 19 -8.869 -0.464 1.372 157 H GLY 20 H GLY 20 -10.112 2.369 0.417 158 1HA GLY 20 1HA GLY 20 -8.475 4.165 0.837 159 2HA GLY 20 2HA GLY 20 -9.711 4.935 1.816 160 H ASP 21 H ASP 21 -9.675 4.610 3.926 161 HA ASP 21 HA ASP 21 -7.921 2.491 4.956 162 1HB ASP 21 1HB ASP 21 -7.345 4.850 5.537 163 2HB ASP 21 2HB ASP 21 -8.886 4.976 6.382 164 H GLU 22 H GLU 22 -11.159 3.344 4.620 165 HA GLU 22 HA GLU 22 -12.303 2.503 7.028 166 1HB GLU 22 1HB GLU 22 -13.577 2.095 4.327 167 2HB GLU 22 2HB GLU 22 -14.371 2.400 5.865 168 1HG GLU 22 1HG GLU 22 -12.776 4.330 4.208 169 2HG GLU 22 2HG GLU 22 -14.496 4.391 4.583 170 H ALA 23 H ALA 23 -11.511 0.654 4.104 171 HA ALA 23 HA ALA 23 -12.142 -1.812 5.572 172 1HB ALA 23 1HB ALA 23 -12.341 -2.930 3.468 173 2HB ALA 23 2HB ALA 23 -11.718 -1.527 2.605 174 3HB ALA 23 3HB ALA 23 -13.292 -1.447 3.395 175 H PHE 24 H PHE 24 -9.611 0.008 5.451 176 HA PHE 24 HA PHE 24 -7.471 -1.276 4.331 177 1HB PHE 24 1HB PHE 24 -7.597 0.872 5.800 178 2HB PHE 24 2HB PHE 24 -7.227 -0.226 7.124 179 HD1 PHE 24 HD1 PHE 24 -5.199 -1.826 6.694 180 HD2 PHE 24 HD2 PHE 24 -5.857 1.844 4.647 181 HE1 PHE 24 HE1 PHE 24 -2.815 -1.723 6.122 182 HE2 PHE 24 HE2 PHE 24 -3.474 1.959 4.080 183 HZ PHE 24 HZ PHE 24 -1.944 0.173 4.811 184 H GLU 25 H GLU 25 -8.979 -2.051 7.472 185 HA GLU 25 HA GLU 25 -7.125 -4.053 8.181 186 1HB GLU 25 1HB GLU 25 -9.864 -4.514 9.107 187 2HB GLU 25 2HB GLU 25 -8.374 -4.387 10.026 188 1HG GLU 25 1HG GLU 25 -8.467 -1.951 9.847 189 2HG GLU 25 2HG GLU 25 -9.974 -2.079 8.939 190 HA PRO 26 HA PRO 26 -10.726 -7.163 6.423 191 1HB PRO 26 1HB PRO 26 -11.060 -5.310 4.088 192 2HB PRO 26 2HB PRO 26 -12.195 -6.491 4.751 193 1HG PRO 26 1HG PRO 26 -12.394 -3.864 5.300 194 2HG PRO 26 2HG PRO 26 -12.832 -5.112 6.480 195 1HD PRO 26 1HD PRO 26 -10.562 -3.254 6.499 196 2HD PRO 26 2HD PRO 26 -11.242 -4.210 7.825 197 H LEU 27 H LEU 27 -8.310 -5.179 4.882 198 HA LEU 27 HA LEU 27 -7.603 -7.014 2.814 199 1HB LEU 27 1HB LEU 27 -6.381 -4.567 4.031 200 2HB LEU 27 2HB LEU 27 -5.449 -5.542 2.905 201 HG LEU 27 HG LEU 27 -8.107 -4.249 2.278 202 1HD1 LEU 27 1HD1 LEU 27 -6.788 -2.718 0.884 203 2HD1 LEU 27 2HD1 LEU 27 -5.307 -3.438 1.512 204 3HD1 LEU 27 3HD1 LEU 27 -6.392 -2.567 2.595 205 1HD2 LEU 27 1HD2 LEU 27 -7.741 -6.253 0.973 206 2HD2 LEU 27 2HD2 LEU 27 -6.122 -5.708 0.539 207 3HD2 LEU 27 3HD2 LEU 27 -7.534 -4.830 -0.048 208 H LEU 28 H LEU 28 -6.067 -6.028 5.854 209 HA LEU 28 HA LEU 28 -4.070 -8.035 5.831 210 1HB LEU 28 1HB LEU 28 -5.151 -6.717 8.306 211 2HB LEU 28 2HB LEU 28 -3.527 -7.294 8.004 212 HG LEU 28 HG LEU 28 -4.741 -4.969 6.540 213 1HD1 LEU 28 1HD1 LEU 28 -4.692 -4.356 8.848 214 2HD1 LEU 28 2HD1 LEU 28 -3.325 -3.575 8.050 215 3HD1 LEU 28 3HD1 LEU 28 -3.066 -5.011 9.042 216 1HD2 LEU 28 1HD2 LEU 28 -1.866 -5.810 6.895 217 2HD2 LEU 28 2HD2 LEU 28 -2.463 -4.469 5.917 218 3HD2 LEU 28 3HD2 LEU 28 -2.840 -6.130 5.461 219 H GLU 29 H GLU 29 -7.369 -7.922 6.833 220 HA GLU 29 HA GLU 29 -7.382 -10.042 8.663 221 1HB GLU 29 1HB GLU 29 -9.581 -9.035 6.854 222 2HB GLU 29 2HB GLU 29 -9.819 -10.158 8.186 223 1HG GLU 29 1HG GLU 29 -8.769 -7.350 8.450 224 2HG GLU 29 2HG GLU 29 -10.426 -7.855 8.768 225 H SER 30 H SER 30 -7.793 -9.909 5.166 226 HA SER 30 HA SER 30 -8.482 -12.619 4.784 227 1HB SER 30 1HB SER 30 -7.198 -10.668 2.860 228 2HB SER 30 2HB SER 30 -7.935 -12.207 2.413 229 HG SER 30 HG SER 30 -9.151 -9.945 2.532 230 H LEU 31 H LEU 31 -5.518 -11.159 5.599 231 HA LEU 31 HA LEU 31 -3.732 -12.932 4.293 232 1HB LEU 31 1HB LEU 31 -3.331 -11.355 6.836 233 2HB LEU 31 2HB LEU 31 -2.061 -12.118 5.900 234 HG LEU 31 HG LEU 31 -3.812 -9.843 4.963 235 1HD1 LEU 31 1HD1 LEU 31 -2.214 -9.159 6.666 236 2HD1 LEU 31 2HD1 LEU 31 -1.764 -8.516 5.086 237 3HD1 LEU 31 3HD1 LEU 31 -0.903 -9.905 5.751 238 1HD2 LEU 31 1HD2 LEU 31 -3.184 -11.266 3.108 239 2HD2 LEU 31 2HD2 LEU 31 -1.497 -11.237 3.623 240 3HD2 LEU 31 3HD2 LEU 31 -2.268 -9.760 3.046 241 H SER 32 H SER 32 -5.906 -13.442 6.798 242 HA SER 32 HA SER 32 -4.324 -15.590 8.004 243 1HB SER 32 1HB SER 32 -5.475 -14.003 9.514 244 2HB SER 32 2HB SER 32 -7.024 -14.490 8.826 245 HG SER 32 HG SER 32 -5.259 -16.380 9.956 246 H ASN 33 H ASN 33 -5.817 -15.510 5.287 247 HA ASN 33 HA ASN 33 -7.733 -17.663 5.633 248 1HB ASN 33 1HB ASN 33 -8.317 -17.342 3.360 249 2HB ASN 33 2HB ASN 33 -8.034 -15.732 4.010 250 1HD2 ASN 33 1HD2 ASN 33 -5.090 -16.188 3.971 251 2HD2 ASN 33 2HD2 ASN 33 -4.635 -16.005 2.318 252 H GLU 34 H GLU 34 -7.566 -19.725 4.685 253 HA GLU 34 HA GLU 34 -5.001 -20.898 4.825 254 1HB GLU 34 1HB GLU 34 -7.081 -22.098 5.372 255 2HB GLU 34 2HB GLU 34 -7.574 -22.005 3.686 256 1HG GLU 34 1HG GLU 34 -5.673 -23.359 3.038 257 2HG GLU 34 2HG GLU 34 -5.139 -23.430 4.716 258 H ASP 35 H ASP 35 -7.057 -19.864 2.161 259 HA ASP 35 HA ASP 35 -5.387 -20.988 0.122 260 1HB ASP 35 1HB ASP 35 -7.550 -18.881 -0.088 261 2HB ASP 35 2HB ASP 35 -6.824 -19.747 -1.438 262 H TRP 36 H TRP 36 -4.255 -19.728 -1.504 263 HA TRP 36 HA TRP 36 -2.980 -17.360 -0.322 264 1HB TRP 36 1HB TRP 36 -1.201 -17.864 -2.119 265 2HB TRP 36 2HB TRP 36 -1.295 -18.936 -0.724 266 HD1 TRP 36 HD1 TRP 36 -2.718 -18.867 -4.348 267 HE1 TRP 36 HE1 TRP 36 -2.701 -21.284 -5.237 268 HE3 TRP 36 HE3 TRP 36 -0.963 -21.258 -0.186 269 HZ2 TRP 36 HZ2 TRP 36 -2.033 -23.854 -4.305 270 HZ3 TRP 36 HZ3 TRP 36 -0.662 -23.699 -0.269 271 HH2 TRP 36 HH2 TRP 36 -1.189 -24.966 -2.290 272 H ARG 37 H ARG 37 -4.941 -18.447 -2.919 273 HA ARG 37 HA ARG 37 -4.362 -16.460 -4.836 274 1HB ARG 37 1HB ARG 37 -7.000 -17.871 -4.402 275 2HB ARG 37 2HB ARG 37 -6.451 -17.095 -5.882 276 1HG ARG 37 1HG ARG 37 -4.583 -18.752 -5.964 277 2HG ARG 37 2HG ARG 37 -5.347 -19.584 -4.607 278 1HD ARG 37 1HD ARG 37 -5.958 -20.605 -6.744 279 2HD ARG 37 2HD ARG 37 -7.363 -19.921 -5.927 280 HE ARG 37 HE ARG 37 -6.074 -18.217 -7.894 281 1HH1 ARG 37 1HH1 ARG 37 -8.618 -20.494 -7.196 282 2HH1 ARG 37 2HH1 ARG 37 -9.601 -20.005 -8.536 283 1HH2 ARG 37 1HH2 ARG 37 -7.358 -17.566 -9.661 284 2HH2 ARG 37 2HH2 ARG 37 -8.882 -18.339 -9.940 285 H ILE 38 H ILE 38 -6.951 -16.662 -2.396 286 HA ILE 38 HA ILE 38 -8.072 -14.139 -2.929 287 HB ILE 38 HB ILE 38 -8.059 -15.545 -0.256 288 1HG1 ILE 38 1HG1 ILE 38 -10.027 -15.864 -2.535 289 2HG1 ILE 38 2HG1 ILE 38 -8.781 -17.036 -2.120 290 1HG2 ILE 38 1HG2 ILE 38 -10.028 -13.614 -1.480 291 2HG2 ILE 38 2HG2 ILE 38 -8.851 -13.225 -0.225 292 3HG2 ILE 38 3HG2 ILE 38 -10.156 -14.363 0.111 293 1HD1 ILE 38 1HD1 ILE 38 -9.820 -17.324 0.087 294 2HD1 ILE 38 2HD1 ILE 38 -10.909 -17.734 -1.239 295 3HD1 ILE 38 3HD1 ILE 38 -11.094 -16.199 -0.388 296 H ARG 39 H ARG 39 -5.528 -15.182 -0.716 297 HA ARG 39 HA ARG 39 -5.161 -12.740 0.625 298 1HB ARG 39 1HB ARG 39 -4.249 -15.006 1.287 299 2HB ARG 39 2HB ARG 39 -3.018 -14.790 0.053 300 1HG ARG 39 1HG ARG 39 -2.341 -12.685 1.225 301 2HG ARG 39 2HG ARG 39 -3.443 -13.135 2.525 302 1HD ARG 39 1HD ARG 39 -1.183 -14.872 1.544 303 2HD ARG 39 2HD ARG 39 -1.061 -13.774 2.917 304 HE ARG 39 HE ARG 39 -3.264 -15.459 3.308 305 1HH1 ARG 39 1HH1 ARG 39 0.217 -15.616 3.185 306 2HH1 ARG 39 2HH1 ARG 39 0.322 -16.955 4.278 307 1HH2 ARG 39 1HH2 ARG 39 -3.128 -17.223 4.751 308 2HH2 ARG 39 2HH2 ARG 39 -1.574 -17.866 5.165 309 H GLY 40 H GLY 40 -4.329 -13.767 -2.541 310 1HA GLY 40 1HA GLY 40 -2.087 -12.155 -3.066 311 2HA GLY 40 2HA GLY 40 -3.219 -12.749 -4.271 312 H ALA 41 H ALA 41 -5.420 -11.527 -4.162 313 HA ALA 41 HA ALA 41 -5.137 -8.987 -5.087 314 1HB ALA 41 1HB ALA 41 -7.208 -10.394 -5.147 315 2HB ALA 41 2HB ALA 41 -7.479 -8.687 -4.797 316 3HB ALA 41 3HB ALA 41 -7.531 -9.875 -3.493 317 H ALA 42 H ALA 42 -5.443 -9.972 -1.716 318 HA ALA 42 HA ALA 42 -5.824 -7.430 -0.582 319 1HB ALA 42 1HB ALA 42 -5.019 -8.431 1.504 320 2HB ALA 42 2HB ALA 42 -4.430 -9.830 0.607 321 3HB ALA 42 3HB ALA 42 -6.160 -9.494 0.680 322 H ALA 43 H ALA 43 -2.868 -9.282 -1.194 323 HA ALA 43 HA ALA 43 -1.054 -7.314 -0.238 324 1HB ALA 43 1HB ALA 43 -0.700 -9.661 -2.096 325 2HB ALA 43 2HB ALA 43 -0.367 -9.599 -0.365 326 3HB ALA 43 3HB ALA 43 0.628 -8.671 -1.488 327 H TRP 44 H TRP 44 -2.596 -7.928 -3.311 328 HA TRP 44 HA TRP 44 -0.878 -6.343 -4.922 329 1HB TRP 44 1HB TRP 44 -3.553 -7.630 -5.282 330 2HB TRP 44 2HB TRP 44 -2.992 -6.466 -6.477 331 HD1 TRP 44 HD1 TRP 44 -1.294 -9.477 -4.692 332 HE1 TRP 44 HE1 TRP 44 -0.055 -10.856 -6.476 333 HE3 TRP 44 HE3 TRP 44 -2.503 -6.726 -8.826 334 HZ2 TRP 44 HZ2 TRP 44 0.354 -10.793 -9.265 335 HZ3 TRP 44 HZ3 TRP 44 -1.654 -7.455 -11.017 336 HH2 TRP 44 HH2 TRP 44 -0.256 -9.448 -11.232 337 H ILE 45 H ILE 45 -3.807 -5.628 -3.104 338 HA ILE 45 HA ILE 45 -3.860 -2.915 -4.214 339 HB ILE 45 HB ILE 45 -5.841 -4.155 -2.304 340 1HG1 ILE 45 1HG1 ILE 45 -6.053 -3.925 -5.315 341 2HG1 ILE 45 2HG1 ILE 45 -5.644 -5.411 -4.465 342 1HG2 ILE 45 1HG2 ILE 45 -7.325 -2.371 -3.155 343 2HG2 ILE 45 2HG2 ILE 45 -5.975 -1.727 -4.088 344 3HG2 ILE 45 3HG2 ILE 45 -5.902 -1.739 -2.327 345 1HD1 ILE 45 1HD1 ILE 45 -7.996 -5.327 -5.130 346 2HD1 ILE 45 2HD1 ILE 45 -8.216 -3.879 -4.146 347 3HD1 ILE 45 3HD1 ILE 45 -7.806 -5.414 -3.379 348 H ILE 46 H ILE 46 -2.863 -4.635 -1.436 349 HA ILE 46 HA ILE 46 -3.181 -2.788 0.611 350 HB ILE 46 HB ILE 46 -1.757 -5.232 0.203 351 1HG1 ILE 46 1HG1 ILE 46 -2.330 -3.842 2.816 352 2HG1 ILE 46 2HG1 ILE 46 -3.590 -4.609 1.853 353 1HG2 ILE 46 1HG2 ILE 46 -0.199 -3.130 1.693 354 2HG2 ILE 46 2HG2 ILE 46 0.306 -4.013 0.252 355 3HG2 ILE 46 3HG2 ILE 46 0.114 -4.863 1.785 356 1HD1 ILE 46 1HD1 ILE 46 -2.855 -6.088 3.607 357 2HD1 ILE 46 2HD1 ILE 46 -1.186 -5.963 3.051 358 3HD1 ILE 46 3HD1 ILE 46 -2.396 -6.744 2.035 359 H GLY 47 H GLY 47 -0.687 -2.919 -1.888 360 1HA GLY 47 1HA GLY 47 1.025 -0.995 -0.650 361 2HA GLY 47 2HA GLY 47 1.110 -1.536 -2.318 362 H ASN 48 H ASN 48 -1.868 -0.670 -2.481 363 HA ASN 48 HA ASN 48 -1.421 1.770 -3.750 364 1HB ASN 48 1HB ASN 48 -3.872 0.374 -2.743 365 2HB ASN 48 2HB ASN 48 -3.994 2.011 -3.374 366 1HD2 ASN 48 1HD2 ASN 48 -3.117 -1.289 -4.133 367 2HD2 ASN 48 2HD2 ASN 48 -3.266 -1.138 -5.847 368 H PHE 49 H PHE 49 -2.266 1.046 -0.414 369 HA PHE 49 HA PHE 49 -2.516 3.886 0.202 370 1HB PHE 49 1HB PHE 49 -2.751 1.572 2.126 371 2HB PHE 49 2HB PHE 49 -3.359 3.212 2.330 372 HD1 PHE 49 HD1 PHE 49 -4.813 3.818 -0.029 373 HD2 PHE 49 HD2 PHE 49 -4.486 0.089 1.995 374 HE1 PHE 49 HE1 PHE 49 -6.980 3.125 -0.963 375 HE2 PHE 49 HE2 PHE 49 -6.653 -0.610 1.064 376 HZ PHE 49 HZ PHE 49 -7.902 0.909 -0.418 377 H GLN 50 H GLN 50 -0.801 5.016 0.745 378 HA GLN 50 HA GLN 50 1.730 3.853 1.330 379 1HB GLN 50 1HB GLN 50 0.807 6.718 1.613 380 2HB GLN 50 2HB GLN 50 2.478 6.176 1.659 381 1HG GLN 50 1HG GLN 50 2.499 5.653 -0.609 382 2HG GLN 50 2HG GLN 50 0.741 5.633 -0.712 383 1HE2 GLN 50 1HE2 GLN 50 2.583 7.096 -2.369 384 2HE2 GLN 50 2HE2 GLN 50 2.211 8.770 -2.176 385 H ASP 51 H ASP 51 -0.605 3.414 3.257 386 HA ASP 51 HA ASP 51 0.320 4.681 5.687 387 1HB ASP 51 1HB ASP 51 -2.103 4.255 5.234 388 2HB ASP 51 2HB ASP 51 -1.780 2.529 5.359 389 H GLU 52 H GLU 52 1.489 3.759 7.294 390 HA GLU 52 HA GLU 52 3.173 1.585 6.668 391 1HB GLU 52 1HB GLU 52 4.074 1.850 8.888 392 2HB GLU 52 2HB GLU 52 3.781 3.439 8.195 393 1HG GLU 52 1HG GLU 52 2.919 3.789 10.256 394 2HG GLU 52 2HG GLU 52 1.475 3.161 9.461 395 H ARG 53 H ARG 53 -0.018 1.584 7.739 396 HA ARG 53 HA ARG 53 -0.024 -0.594 9.517 397 1HB ARG 53 1HB ARG 53 -1.953 0.913 9.227 398 2HB ARG 53 2HB ARG 53 -2.207 0.273 7.608 399 1HG ARG 53 1HG ARG 53 -2.995 -1.747 8.380 400 2HG ARG 53 2HG ARG 53 -2.195 -1.580 9.945 401 1HD ARG 53 1HD ARG 53 -3.764 0.257 10.495 402 2HD ARG 53 2HD ARG 53 -4.596 -0.038 8.969 403 HE ARG 53 HE ARG 53 -5.076 -2.306 9.862 404 1HH1 ARG 53 1HH1 ARG 53 -4.356 0.311 12.050 405 2HH1 ARG 53 2HH1 ARG 53 -5.221 -0.391 13.375 406 1HH2 ARG 53 1HH2 ARG 53 -6.212 -3.236 11.604 407 2HH2 ARG 53 2HH2 ARG 53 -6.276 -2.405 13.123 408 H ALA 54 H ALA 54 0.054 -0.410 6.027 409 HA ALA 54 HA ALA 54 -0.125 -3.338 5.852 410 1HB ALA 54 1HB ALA 54 -0.464 -2.960 3.430 411 2HB ALA 54 2HB ALA 54 -0.420 -1.222 3.729 412 3HB ALA 54 3HB ALA 54 -1.699 -2.209 4.436 413 H VAL 55 H VAL 55 2.273 -1.590 6.616 414 HA VAL 55 HA VAL 55 4.139 -1.872 4.468 415 HB VAL 55 HB VAL 55 4.250 -0.205 6.418 416 1HG1 VAL 55 1HG1 VAL 55 5.578 -2.549 7.760 417 2HG1 VAL 55 2HG1 VAL 55 4.047 -1.819 8.237 418 3HG1 VAL 55 3HG1 VAL 55 5.542 -0.892 8.361 419 1HG2 VAL 55 1HG2 VAL 55 6.697 -1.740 5.570 420 2HG2 VAL 55 2HG2 VAL 55 6.712 -0.147 6.329 421 3HG2 VAL 55 3HG2 VAL 55 5.977 -0.361 4.740 422 H GLU 56 H GLU 56 3.361 -3.716 7.364 423 HA GLU 56 HA GLU 56 5.503 -5.513 7.288 424 1HB GLU 56 1HB GLU 56 4.198 -5.416 9.269 425 2HB GLU 56 2HB GLU 56 2.716 -5.787 8.399 426 1HG GLU 56 1HG GLU 56 3.281 -8.029 8.146 427 2HG GLU 56 2HG GLU 56 4.985 -7.735 8.484 428 HA PRO 57 HA PRO 57 2.206 -8.461 4.815 429 1HB PRO 57 1HB PRO 57 1.494 -6.088 3.133 430 2HB PRO 57 2HB PRO 57 0.559 -7.552 3.459 431 1HG PRO 57 1HG PRO 57 0.043 -5.268 4.750 432 2HG PRO 57 2HG PRO 57 -0.084 -6.839 5.560 433 1HD PRO 57 1HD PRO 57 1.925 -4.708 5.906 434 2HD PRO 57 2HD PRO 57 1.456 -6.007 7.016 435 H LEU 58 H LEU 58 3.591 -5.616 3.174 436 HA LEU 58 HA LEU 58 4.565 -6.924 0.929 437 1HB LEU 58 1HB LEU 58 5.969 -4.594 2.202 438 2HB LEU 58 2HB LEU 58 5.846 -4.990 0.500 439 HG LEU 58 HG LEU 58 3.697 -3.873 2.286 440 1HD1 LEU 58 1HD1 LEU 58 5.344 -2.303 1.334 441 2HD1 LEU 58 2HD1 LEU 58 3.707 -2.030 0.740 442 3HD1 LEU 58 3HD1 LEU 58 4.890 -2.847 -0.282 443 1HD2 LEU 58 1HD2 LEU 58 2.267 -3.945 0.231 444 2HD2 LEU 58 2HD2 LEU 58 2.593 -5.515 0.963 445 3HD2 LEU 58 3HD2 LEU 58 3.465 -5.021 -0.488 446 H ILE 59 H ILE 59 6.248 -6.203 3.971 447 HA ILE 59 HA ILE 59 8.743 -7.233 3.287 448 HB ILE 59 HB ILE 59 7.428 -7.145 6.003 449 1HG1 ILE 59 1HG1 ILE 59 7.626 -4.957 4.827 450 2HG1 ILE 59 2HG1 ILE 59 8.589 -5.035 6.297 451 1HG2 ILE 59 1HG2 ILE 59 9.291 -8.696 6.016 452 2HG2 ILE 59 2HG2 ILE 59 9.713 -7.232 6.904 453 3HG2 ILE 59 3HG2 ILE 59 10.334 -7.485 5.272 454 1HD1 ILE 59 1HD1 ILE 59 9.654 -5.415 3.507 455 2HD1 ILE 59 2HD1 ILE 59 10.598 -5.374 4.996 456 3HD1 ILE 59 3HD1 ILE 59 9.756 -3.925 4.445 457 H LYS 60 H LYS 60 6.122 -8.862 5.082 458 HA LYS 60 HA LYS 60 7.440 -11.379 5.163 459 1HB LYS 60 1HB LYS 60 4.490 -10.811 5.478 460 2HB LYS 60 2HB LYS 60 5.351 -12.237 6.039 461 1HG LYS 60 1HG LYS 60 5.879 -9.442 7.025 462 2HG LYS 60 2HG LYS 60 4.819 -10.604 7.826 463 1HD LYS 60 1HD LYS 60 6.705 -12.142 8.089 464 2HD LYS 60 2HD LYS 60 7.764 -10.981 7.283 465 1HE LYS 60 1HE LYS 60 6.318 -10.607 9.903 466 2HE LYS 60 2HE LYS 60 8.055 -10.809 9.671 467 1HZ LYS 60 1HZ LYS 60 6.459 -8.536 8.618 468 2HZ LYS 60 2HZ LYS 60 8.137 -8.717 8.511 469 3HZ LYS 60 3HZ LYS 60 7.407 -8.484 10.018 470 H LEU 61 H LEU 61 5.849 -9.789 2.646 471 HA LEU 61 HA LEU 61 4.843 -12.192 1.366 472 1HB LEU 61 1HB LEU 61 4.635 -9.283 0.923 473 2HB LEU 61 2HB LEU 61 4.582 -10.278 -0.516 474 HG LEU 61 HG LEU 61 2.547 -11.192 0.011 475 1HD1 LEU 61 1HD1 LEU 61 1.596 -11.264 2.309 476 2HD1 LEU 61 2HD1 LEU 61 3.125 -10.630 2.914 477 3HD1 LEU 61 3HD1 LEU 61 3.077 -12.202 2.117 478 1HD2 LEU 61 1HD2 LEU 61 2.498 -8.541 1.435 479 2HD2 LEU 61 2HD2 LEU 61 1.085 -9.429 0.869 480 3HD2 LEU 61 3HD2 LEU 61 2.257 -8.806 -0.291 481 H LEU 62 H LEU 62 7.360 -9.766 0.705 482 HA LEU 62 HA LEU 62 8.286 -10.794 -1.708 483 1HB LEU 62 1HB LEU 62 9.927 -9.473 0.454 484 2HB LEU 62 2HB LEU 62 10.346 -9.585 -1.245 485 HG LEU 62 HG LEU 62 7.782 -8.252 -0.540 486 1HD1 LEU 62 1HD1 LEU 62 10.467 -6.911 -0.255 487 2HD1 LEU 62 2HD1 LEU 62 9.386 -7.326 1.072 488 3HD1 LEU 62 3HD1 LEU 62 8.890 -6.135 -0.129 489 1HD2 LEU 62 1HD2 LEU 62 8.326 -6.906 -2.474 490 2HD2 LEU 62 2HD2 LEU 62 8.482 -8.616 -2.876 491 3HD2 LEU 62 3HD2 LEU 62 9.924 -7.646 -2.574 492 H GLU 63 H GLU 63 8.481 -12.094 1.420 493 HA GLU 63 HA GLU 63 10.601 -13.963 0.619 494 1HB GLU 63 1HB GLU 63 9.835 -12.691 3.167 495 2HB GLU 63 2HB GLU 63 10.320 -14.375 3.277 496 1HG GLU 63 1HG GLU 63 12.168 -12.800 3.660 497 2HG GLU 63 2HG GLU 63 12.453 -13.879 2.296 498 H ASP 64 H ASP 64 7.268 -13.691 1.143 499 HA ASP 64 HA ASP 64 6.622 -16.192 2.215 500 1HB ASP 64 1HB ASP 64 5.108 -14.135 1.809 501 2HB ASP 64 2HB ASP 64 4.881 -14.811 0.199 502 H ASP 65 H ASP 65 7.313 -15.174 -1.009 503 HA ASP 65 HA ASP 65 7.581 -16.261 -2.992 504 1HB ASP 65 1HB ASP 65 8.429 -18.473 -1.111 505 2HB ASP 65 2HB ASP 65 8.731 -18.459 -2.846 506 H SER 66 H SER 66 4.909 -16.423 -1.760 507 HA SER 66 HA SER 66 3.941 -19.074 -2.421 508 1HB SER 66 1HB SER 66 2.951 -17.864 -0.530 509 2HB SER 66 2HB SER 66 2.430 -16.579 -1.616 510 HG SER 66 HG SER 66 0.864 -18.317 -1.032 511 H GLY 67 H GLY 67 4.767 -16.431 -4.213 512 1HA GLY 67 1HA GLY 67 4.551 -16.311 -6.554 513 2HA GLY 67 2HA GLY 67 3.144 -17.363 -6.459 514 H PHE 68 H PHE 68 1.102 -16.462 -6.005 515 HA PHE 68 HA PHE 68 0.607 -13.914 -7.054 516 1HB PHE 68 1HB PHE 68 -0.981 -15.974 -6.543 517 2HB PHE 68 2HB PHE 68 -1.268 -15.101 -5.046 518 HD1 PHE 68 HD1 PHE 68 -3.029 -15.827 -7.603 519 HD2 PHE 68 HD2 PHE 68 -1.211 -12.271 -6.115 520 HE1 PHE 68 HE1 PHE 68 -4.738 -14.478 -8.742 521 HE2 PHE 68 HE2 PHE 68 -2.922 -10.924 -7.251 522 HZ PHE 68 HZ PHE 68 -4.687 -12.025 -8.567 523 H VAL 69 H VAL 69 0.823 -15.051 -3.712 524 HA VAL 69 HA VAL 69 0.307 -12.540 -2.506 525 HB VAL 69 HB VAL 69 1.811 -14.849 -1.286 526 1HG1 VAL 69 1HG1 VAL 69 1.907 -12.782 -0.006 527 2HG1 VAL 69 2HG1 VAL 69 0.923 -13.988 0.820 528 3HG1 VAL 69 3HG1 VAL 69 0.148 -12.663 -0.047 529 1HG2 VAL 69 1HG2 VAL 69 -1.168 -14.388 -1.368 530 2HG2 VAL 69 2HG2 VAL 69 -0.340 -15.685 -0.505 531 3HG2 VAL 69 3HG2 VAL 69 -0.295 -15.628 -2.267 532 H ARG 70 H ARG 70 3.294 -14.268 -3.311 533 HA ARG 70 HA ARG 70 5.050 -12.406 -2.100 534 1HB ARG 70 1HB ARG 70 5.535 -14.814 -2.843 535 2HB ARG 70 2HB ARG 70 5.759 -14.147 -4.454 536 1HG ARG 70 1HG ARG 70 7.280 -12.570 -2.678 537 2HG ARG 70 2HG ARG 70 7.607 -14.258 -2.292 538 1HD ARG 70 1HD ARG 70 9.182 -13.619 -3.944 539 2HD ARG 70 2HD ARG 70 7.982 -14.623 -4.756 540 HE ARG 70 HE ARG 70 7.410 -12.823 -6.039 541 1HH1 ARG 70 1HH1 ARG 70 9.173 -11.707 -3.247 542 2HH1 ARG 70 2HH1 ARG 70 9.227 -10.060 -3.779 543 1HH2 ARG 70 1HH2 ARG 70 7.471 -10.653 -6.741 544 2HH2 ARG 70 2HH2 ARG 70 8.260 -9.462 -5.763 545 H SER 71 H SER 71 4.470 -12.979 -5.575 546 HA SER 71 HA SER 71 5.756 -10.729 -6.547 547 1HB SER 71 1HB SER 71 4.504 -11.054 -8.601 548 2HB SER 71 2HB SER 71 4.944 -12.629 -7.940 549 HG SER 71 HG SER 71 2.659 -12.156 -6.870 550 H GLY 72 H GLY 72 2.681 -11.000 -4.995 551 1HA GLY 72 1HA GLY 72 1.386 -8.720 -5.957 552 2HA GLY 72 2HA GLY 72 1.132 -9.430 -4.371 553 H ALA 73 H ALA 73 3.838 -9.055 -3.465 554 HA ALA 73 HA ALA 73 3.600 -6.375 -2.519 555 1HB ALA 73 1HB ALA 73 5.688 -6.844 -1.314 556 2HB ALA 73 2HB ALA 73 5.849 -8.361 -2.200 557 3HB ALA 73 3HB ALA 73 4.497 -8.125 -1.091 558 H ALA 74 H ALA 74 5.650 -8.014 -4.877 559 HA ALA 74 HA ALA 74 7.662 -6.271 -5.360 560 1HB ALA 74 1HB ALA 74 6.048 -7.575 -7.543 561 2HB ALA 74 2HB ALA 74 7.268 -8.396 -6.570 562 3HB ALA 74 3HB ALA 74 7.734 -7.064 -7.627 563 H ARG 75 H ARG 75 4.339 -5.927 -6.522 564 HA ARG 75 HA ARG 75 4.937 -3.444 -7.880 565 1HB ARG 75 1HB ARG 75 2.384 -3.444 -8.178 566 2HB ARG 75 2HB ARG 75 3.301 -4.710 -8.984 567 1HG ARG 75 1HG ARG 75 2.701 -6.298 -7.271 568 2HG ARG 75 2HG ARG 75 1.881 -5.036 -6.347 569 1HD ARG 75 1HD ARG 75 0.404 -6.563 -7.733 570 2HD ARG 75 2HD ARG 75 0.174 -4.826 -7.962 571 HE ARG 75 HE ARG 75 1.897 -6.313 -9.812 572 1HH1 ARG 75 1HH1 ARG 75 -0.998 -4.473 -9.195 573 2HH1 ARG 75 2HH1 ARG 75 -1.363 -4.243 -10.871 574 1HH2 ARG 75 1HH2 ARG 75 1.420 -6.016 -12.022 575 2HH2 ARG 75 2HH2 ARG 75 0.008 -5.121 -12.477 576 H SER 76 H SER 76 3.571 -4.483 -4.846 577 HA SER 76 HA SER 76 2.256 -2.119 -4.106 578 1HB SER 76 1HB SER 76 3.480 -4.289 -2.403 579 2HB SER 76 2HB SER 76 2.417 -3.021 -1.793 580 HG SER 76 HG SER 76 0.871 -3.816 -3.403 581 H LEU 77 H LEU 77 5.596 -3.190 -3.379 582 HA LEU 77 HA LEU 77 6.293 -1.127 -1.665 583 1HB LEU 77 1HB LEU 77 7.905 -2.743 -3.621 584 2HB LEU 77 2HB LEU 77 8.651 -1.543 -2.589 585 HG LEU 77 HG LEU 77 8.928 -3.749 -1.647 586 1HD1 LEU 77 1HD1 LEU 77 7.108 -1.888 -0.173 587 2HD1 LEU 77 2HD1 LEU 77 8.836 -2.162 0.046 588 3HD1 LEU 77 3HD1 LEU 77 7.678 -3.386 0.559 589 1HD2 LEU 77 1HD2 LEU 77 7.052 -4.891 -2.615 590 2HD2 LEU 77 2HD2 LEU 77 5.928 -3.913 -1.671 591 3HD2 LEU 77 3HD2 LEU 77 7.002 -5.053 -0.861 592 H GLU 78 H GLU 78 7.089 -1.253 -5.151 593 HA GLU 78 HA GLU 78 7.961 1.396 -5.330 594 1HB GLU 78 1HB GLU 78 8.467 -0.298 -7.024 595 2HB GLU 78 2HB GLU 78 6.771 -0.356 -7.485 596 1HG GLU 78 1HG GLU 78 6.915 2.017 -8.157 597 2HG GLU 78 2HG GLU 78 8.639 1.983 -7.789 598 H GLN 79 H GLN 79 4.762 0.055 -5.359 599 HA GLN 79 HA GLN 79 3.438 2.244 -6.595 600 1HB GLN 79 1HB GLN 79 2.659 -0.231 -5.201 601 2HB GLN 79 2HB GLN 79 1.494 1.078 -5.105 602 1HG GLN 79 1HG GLN 79 1.354 1.210 -7.496 603 2HG GLN 79 2HG GLN 79 2.657 0.038 -7.676 604 1HE2 GLN 79 1HE2 GLN 79 1.692 -1.625 -5.492 605 2HE2 GLN 79 2HE2 GLN 79 0.304 -2.459 -6.094 606 H ILE 80 H ILE 80 4.545 1.684 -3.350 607 HA ILE 80 HA ILE 80 2.753 3.532 -2.102 608 HB ILE 80 HB ILE 80 5.319 2.290 -1.142 609 1HG1 ILE 80 1HG1 ILE 80 2.441 1.830 -0.333 610 2HG1 ILE 80 2HG1 ILE 80 3.353 0.800 -1.431 611 1HG2 ILE 80 1HG2 ILE 80 4.699 3.140 1.100 612 2HG2 ILE 80 2HG2 ILE 80 3.416 4.089 0.351 613 3HG2 ILE 80 3HG2 ILE 80 5.102 4.424 -0.040 614 1HD1 ILE 80 1HD1 ILE 80 3.319 -0.216 0.728 615 2HD1 ILE 80 2HD1 ILE 80 3.890 1.269 1.489 616 3HD1 ILE 80 3HD1 ILE 80 4.956 0.363 0.415 617 H GLY 81 H GLY 81 6.307 3.738 -2.635 618 1HA GLY 81 1HA GLY 81 6.220 6.358 -3.656 619 2HA GLY 81 2HA GLY 81 6.464 6.451 -1.918 620 H GLY 82 H GLY 82 8.481 7.104 -1.712 621 1HA GLY 82 1HA GLY 82 10.578 5.463 -2.985 622 2HA GLY 82 2HA GLY 82 10.699 7.212 -2.891 623 H GLU 83 H GLU 83 10.794 8.178 -0.740 624 HA GLU 83 HA GLU 83 12.771 7.031 0.862 625 1HB GLU 83 1HB GLU 83 12.268 9.448 0.759 626 2HB GLU 83 2HB GLU 83 10.769 9.162 1.632 627 1HG GLU 83 1HG GLU 83 12.081 8.316 3.541 628 2HG GLU 83 2HG GLU 83 13.560 8.710 2.664 629 H ARG 84 H ARG 84 9.393 6.471 0.835 630 HA ARG 84 HA ARG 84 9.127 5.670 3.578 631 1HB ARG 84 1HB ARG 84 7.285 5.023 1.269 632 2HB ARG 84 2HB ARG 84 6.893 4.953 2.978 633 1HG ARG 84 1HG ARG 84 5.870 6.902 2.244 634 2HG ARG 84 2HG ARG 84 7.363 7.474 2.995 635 1HD ARG 84 1HD ARG 84 8.393 7.818 0.886 636 2HD ARG 84 2HD ARG 84 7.121 6.934 0.043 637 HE ARG 84 HE ARG 84 5.974 9.126 1.355 638 1HH1 ARG 84 1HH1 ARG 84 8.147 8.440 -1.280 639 2HH1 ARG 84 2HH1 ARG 84 7.734 9.869 -2.166 640 1HH2 ARG 84 1HH2 ARG 84 5.425 11.015 0.196 641 2HH2 ARG 84 2HH2 ARG 84 6.186 11.333 -1.327 642 H VAL 85 H VAL 85 8.797 3.899 0.529 643 HA VAL 85 HA VAL 85 9.108 1.355 1.750 644 HB VAL 85 HB VAL 85 9.094 2.268 -1.117 645 1HG1 VAL 85 1HG1 VAL 85 9.382 -0.551 -0.092 646 2HG1 VAL 85 2HG1 VAL 85 10.567 0.348 -1.036 647 3HG1 VAL 85 3HG1 VAL 85 9.026 -0.108 -1.760 648 1HG2 VAL 85 1HG2 VAL 85 6.932 2.333 -0.350 649 2HG2 VAL 85 2HG2 VAL 85 7.173 0.991 0.766 650 3HG2 VAL 85 3HG2 VAL 85 7.022 0.682 -0.963 651 H ARG 86 H ARG 86 11.303 3.736 0.631 652 HA ARG 86 HA ARG 86 13.506 2.356 -0.244 653 1HB ARG 86 1HB ARG 86 13.378 4.828 -0.018 654 2HB ARG 86 2HB ARG 86 13.592 4.656 1.718 655 1HG ARG 86 1HG ARG 86 15.753 3.367 1.042 656 2HG ARG 86 2HG ARG 86 15.553 4.228 -0.485 657 1HD ARG 86 1HD ARG 86 15.770 5.465 2.255 658 2HD ARG 86 2HD ARG 86 17.017 5.460 1.008 659 HE ARG 86 HE ARG 86 14.812 6.631 -0.148 660 1HH1 ARG 86 1HH1 ARG 86 16.849 7.255 2.610 661 2HH1 ARG 86 2HH1 ARG 86 16.626 8.972 2.549 662 1HH2 ARG 86 1HH2 ARG 86 14.513 8.893 -0.236 663 2HH2 ARG 86 2HH2 ARG 86 15.298 9.902 0.932 664 H ALA 87 H ALA 87 12.157 2.395 2.943 665 HA ALA 87 HA ALA 87 14.493 1.211 4.186 666 1HB ALA 87 1HB ALA 87 13.219 1.245 6.227 667 2HB ALA 87 2HB ALA 87 11.732 1.588 5.342 668 3HB ALA 87 3HB ALA 87 13.019 2.793 5.405 669 H ALA 88 H ALA 88 11.330 0.209 3.019 670 HA ALA 88 HA ALA 88 11.389 -2.423 4.052 671 1HB ALA 88 1HB ALA 88 9.883 -1.408 1.644 672 2HB ALA 88 2HB ALA 88 9.335 -1.264 3.314 673 3HB ALA 88 3HB ALA 88 9.526 -2.858 2.584 674 H MET 89 H MET 89 12.314 -1.061 0.888 675 HA MET 89 HA MET 89 12.950 -3.543 -0.297 676 1HB MET 89 1HB MET 89 14.080 -2.285 -2.023 677 2HB MET 89 2HB MET 89 12.579 -1.480 -1.608 678 1HG MET 89 1HG MET 89 14.193 0.193 -1.913 679 2HG MET 89 2HG MET 89 13.926 0.076 -0.174 680 1HE MET 89 1HE MET 89 17.625 -1.607 -2.364 681 2HE MET 89 2HE MET 89 16.441 -0.566 -3.152 682 3HE MET 89 3HE MET 89 15.978 -2.182 -2.621 683 H GLU 90 H GLU 90 14.657 -1.420 1.839 684 HA GLU 90 HA GLU 90 17.249 -2.519 1.435 685 1HB GLU 90 1HB GLU 90 15.967 -0.769 3.492 686 2HB GLU 90 2HB GLU 90 17.504 -1.527 3.880 687 1HG GLU 90 1HG GLU 90 18.534 -0.485 1.948 688 2HG GLU 90 2HG GLU 90 16.989 0.230 1.491 689 H LYS 91 H LYS 91 14.551 -3.201 3.582 690 HA LYS 91 HA LYS 91 15.878 -5.093 5.217 691 1HB LYS 91 1HB LYS 91 13.620 -3.876 5.582 692 2HB LYS 91 2HB LYS 91 12.931 -5.167 4.608 693 1HG LYS 91 1HG LYS 91 14.606 -5.785 7.008 694 2HG LYS 91 2HG LYS 91 12.896 -5.384 7.167 695 1HD LYS 91 1HD LYS 91 12.411 -7.214 5.520 696 2HD LYS 91 2HD LYS 91 14.111 -7.671 5.628 697 1HE LYS 91 1HE LYS 91 12.169 -7.571 7.927 698 2HE LYS 91 2HE LYS 91 12.702 -9.033 7.098 699 1HZ LYS 91 1HZ LYS 91 13.936 -8.701 9.134 700 2HZ LYS 91 2HZ LYS 91 14.435 -7.166 8.626 701 3HZ LYS 91 3HZ LYS 91 14.971 -8.544 7.804 702 H LEU 92 H LEU 92 14.232 -5.313 2.118 703 HA LEU 92 HA LEU 92 14.361 -8.206 2.119 704 1HB LEU 92 1HB LEU 92 12.505 -7.745 0.940 705 2HB LEU 92 2HB LEU 92 13.028 -6.113 0.574 706 HG LEU 92 HG LEU 92 14.544 -7.180 -1.193 707 1HD1 LEU 92 1HD1 LEU 92 14.385 -9.484 -0.412 708 2HD1 LEU 92 2HD1 LEU 92 13.770 -9.339 -2.057 709 3HD1 LEU 92 3HD1 LEU 92 12.646 -9.475 -0.705 710 1HD2 LEU 92 1HD2 LEU 92 12.866 -6.966 -2.813 711 2HD2 LEU 92 2HD2 LEU 92 12.334 -5.928 -1.490 712 3HD2 LEU 92 3HD2 LEU 92 11.607 -7.520 -1.711 713 H ALA 93 H ALA 93 16.145 -5.475 0.944 714 HA ALA 93 HA ALA 93 17.671 -6.668 -1.078 715 1HB ALA 93 1HB ALA 93 18.557 -4.502 0.829 716 2HB ALA 93 2HB ALA 93 17.584 -4.237 -0.619 717 3HB ALA 93 3HB ALA 93 19.230 -4.851 -0.765 718 H GLU 94 H GLU 94 17.900 -6.782 2.394 719 HA GLU 94 HA GLU 94 20.532 -7.952 2.451 720 1HB GLU 94 1HB GLU 94 19.707 -6.538 4.292 721 2HB GLU 94 2HB GLU 94 18.435 -7.707 4.619 722 1HG GLU 94 1HG GLU 94 20.252 -7.923 6.200 723 2HG GLU 94 2HG GLU 94 20.103 -9.374 5.212 724 H THR 95 H THR 95 17.267 -9.031 2.237 725 HA THR 95 HA THR 95 18.116 -11.831 2.607 726 HB THR 95 HB THR 95 15.701 -12.346 2.902 727 HG1 THR 95 HG1 THR 95 14.671 -10.667 1.896 728 1HG2 THR 95 1HG2 THR 95 15.456 -11.366 5.144 729 2HG2 THR 95 2HG2 THR 95 16.773 -10.248 4.793 730 3HG2 THR 95 3HG2 THR 95 17.087 -11.981 4.876 731 H GLY 96 H GLY 96 18.300 -9.940 0.289 732 1HA GLY 96 1HA GLY 96 16.485 -10.395 -1.722 733 2HA GLY 96 2HA GLY 96 18.191 -10.083 -1.982 734 H THR 97 H THR 97 15.764 -12.141 -2.633 735 HA THR 97 HA THR 97 17.598 -14.185 -3.567 736 HB THR 97 HB THR 97 15.296 -14.934 -1.752 737 HG1 THR 97 HG1 THR 97 17.049 -14.117 -0.554 738 1HG2 THR 97 1HG2 THR 97 16.260 -17.208 -1.924 739 2HG2 THR 97 2HG2 THR 97 17.404 -16.606 -3.124 740 3HG2 THR 97 3HG2 THR 97 15.675 -16.600 -3.472 741 H GLY 98 H GLY 98 16.970 -14.911 -5.516 742 1HA GLY 98 1HA GLY 98 15.685 -15.273 -7.385 743 2HA GLY 98 2HA GLY 98 14.304 -15.380 -6.303 744 H PHE 99 H PHE 99 12.872 -14.247 -7.565 745 HA PHE 99 HA PHE 99 13.476 -11.768 -8.811 746 1HB PHE 99 1HB PHE 99 11.684 -13.070 -9.709 747 2HB PHE 99 2HB PHE 99 10.866 -13.139 -8.152 748 HD1 PHE 99 HD1 PHE 99 9.188 -11.628 -7.665 749 HD2 PHE 99 HD2 PHE 99 11.967 -10.721 -10.760 750 HE1 PHE 99 HE1 PHE 99 7.867 -9.643 -8.265 751 HE2 PHE 99 HE2 PHE 99 10.650 -8.730 -11.362 752 HZ PHE 99 HZ PHE 99 8.596 -8.189 -10.112 753 H ALA 100 H ALA 100 12.332 -12.676 -5.657 754 HA ALA 100 HA ALA 100 11.115 -10.394 -4.725 755 1HB ALA 100 1HB ALA 100 12.979 -12.243 -3.246 756 2HB ALA 100 2HB ALA 100 11.231 -12.409 -3.408 757 3HB ALA 100 3HB ALA 100 11.908 -11.067 -2.485 758 H ARG 101 H ARG 101 14.587 -11.055 -4.956 759 HA ARG 101 HA ARG 101 15.431 -8.693 -3.638 760 1HB ARG 101 1HB ARG 101 16.866 -10.677 -3.949 761 2HB ARG 101 2HB ARG 101 16.895 -10.352 -5.675 762 1HG ARG 101 1HG ARG 101 18.143 -8.371 -5.390 763 2HG ARG 101 2HG ARG 101 17.864 -8.362 -3.647 764 1HD ARG 101 1HD ARG 101 19.208 -10.365 -3.402 765 2HD ARG 101 2HD ARG 101 19.448 -10.445 -5.147 766 HE ARG 101 HE ARG 101 20.341 -7.952 -4.306 767 1HH1 ARG 101 1HH1 ARG 101 21.162 -11.302 -3.804 768 2HH1 ARG 101 2HH1 ARG 101 22.842 -10.981 -3.531 769 1HH2 ARG 101 1HH2 ARG 101 22.553 -7.525 -3.949 770 2HH2 ARG 101 2HH2 ARG 101 23.631 -8.840 -3.617 771 H LYS 102 H LYS 102 15.360 -9.533 -7.105 772 HA LYS 102 HA LYS 102 16.271 -7.212 -8.210 773 1HB LYS 102 1HB LYS 102 15.680 -9.191 -9.520 774 2HB LYS 102 2HB LYS 102 13.975 -8.917 -9.195 775 1HG LYS 102 1HG LYS 102 14.144 -6.760 -10.397 776 2HG LYS 102 2HG LYS 102 15.809 -7.167 -10.811 777 1HD LYS 102 1HD LYS 102 15.073 -9.123 -12.024 778 2HD LYS 102 2HD LYS 102 13.404 -8.843 -11.524 779 1HE LYS 102 1HE LYS 102 13.697 -8.075 -13.789 780 2HE LYS 102 2HE LYS 102 13.448 -6.687 -12.730 781 1HZ LYS 102 1HZ LYS 102 15.222 -6.237 -14.268 782 2HZ LYS 102 2HZ LYS 102 16.049 -7.636 -13.803 783 3HZ LYS 102 3HZ LYS 102 15.867 -6.360 -12.709 784 H VAL 103 H VAL 103 13.239 -7.791 -6.648 785 HA VAL 103 HA VAL 103 11.759 -5.595 -7.565 786 HB VAL 103 HB VAL 103 11.685 -7.130 -4.973 787 1HG1 VAL 103 1HG1 VAL 103 9.810 -4.977 -5.959 788 2HG1 VAL 103 2HG1 VAL 103 10.756 -4.975 -4.471 789 3HG1 VAL 103 3HG1 VAL 103 9.418 -6.107 -4.663 790 1HG2 VAL 103 1HG2 VAL 103 11.098 -8.371 -7.000 791 2HG2 VAL 103 2HG2 VAL 103 9.868 -7.168 -7.382 792 3HG2 VAL 103 3HG2 VAL 103 9.706 -8.169 -5.937 793 H ALA 104 H ALA 104 13.503 -5.937 -4.466 794 HA ALA 104 HA ALA 104 13.252 -3.339 -3.549 795 1HB ALA 104 1HB ALA 104 15.338 -3.821 -2.247 796 2HB ALA 104 2HB ALA 104 15.461 -5.340 -3.133 797 3HB ALA 104 3HB ALA 104 14.069 -5.033 -2.097 798 H VAL 105 H VAL 105 16.127 -4.685 -5.105 799 HA VAL 105 HA VAL 105 17.599 -2.372 -5.366 800 HB VAL 105 HB VAL 105 17.647 -4.730 -7.249 801 1HG1 VAL 105 1HG1 VAL 105 19.970 -4.080 -7.652 802 2HG1 VAL 105 2HG1 VAL 105 19.763 -2.677 -6.605 803 3HG1 VAL 105 3HG1 VAL 105 18.857 -2.793 -8.114 804 1HG2 VAL 105 1HG2 VAL 105 19.338 -5.666 -5.794 805 2HG2 VAL 105 2HG2 VAL 105 17.864 -5.366 -4.873 806 3HG2 VAL 105 3HG2 VAL 105 19.234 -4.265 -4.727 807 H ASN 106 H ASN 106 15.708 -3.905 -8.004 808 HA ASN 106 HA ASN 106 16.104 -1.883 -9.880 809 1HB ASN 106 1HB ASN 106 15.184 -4.095 -10.447 810 2HB ASN 106 2HB ASN 106 13.690 -3.686 -9.608 811 1HD2 ASN 106 1HD2 ASN 106 15.649 -3.128 -12.414 812 2HD2 ASN 106 2HD2 ASN 106 14.445 -2.306 -13.343 813 H TYR 107 H TYR 107 13.822 -2.075 -7.241 814 HA TYR 107 HA TYR 107 11.999 -0.121 -8.073 815 1HB TYR 107 1HB TYR 107 11.224 -1.340 -6.279 816 2HB TYR 107 2HB TYR 107 12.783 -1.348 -5.474 817 HD1 TYR 107 HD1 TYR 107 12.910 -0.214 -3.536 818 HD2 TYR 107 HD2 TYR 107 10.210 1.196 -6.485 819 HE1 TYR 107 HE1 TYR 107 12.201 1.569 -2.007 820 HE2 TYR 107 HE2 TYR 107 9.479 2.989 -4.966 821 HH TYR 107 HH TYR 107 9.432 3.394 -2.491 822 H LEU 108 H LEU 108 15.188 0.089 -6.743 823 HA LEU 108 HA LEU 108 15.218 2.676 -5.729 824 1HB LEU 108 1HB LEU 108 17.322 0.969 -7.020 825 2HB LEU 108 2HB LEU 108 17.684 2.593 -6.485 826 HG LEU 108 HG LEU 108 16.618 0.428 -4.677 827 1HD1 LEU 108 1HD1 LEU 108 18.823 -0.178 -5.503 828 2HD1 LEU 108 2HD1 LEU 108 18.899 0.285 -3.803 829 3HD1 LEU 108 3HD1 LEU 108 19.444 1.408 -5.049 830 1HD2 LEU 108 1HD2 LEU 108 17.259 1.926 -2.885 831 2HD2 LEU 108 2HD2 LEU 108 16.136 2.740 -3.975 832 3HD2 LEU 108 3HD2 LEU 108 17.860 3.105 -4.051 833 H GLU 109 H GLU 109 15.012 1.604 -8.995 834 HA GLU 109 HA GLU 109 16.133 3.733 -10.387 835 1HB GLU 109 1HB GLU 109 13.764 1.998 -11.091 836 2HB GLU 109 2HB GLU 109 14.511 3.129 -12.210 837 1HG GLU 109 1HG GLU 109 15.888 0.792 -10.908 838 2HG GLU 109 2HG GLU 109 15.283 0.842 -12.562 839 H THR 110 H THR 110 13.346 3.705 -8.413 840 HA THR 110 HA THR 110 12.218 6.086 -9.670 841 HB THR 110 HB THR 110 10.427 5.867 -7.934 842 HG1 THR 110 HG1 THR 110 10.508 3.601 -6.973 843 1HG2 THR 110 1HG2 THR 110 10.949 3.417 -9.626 844 2HG2 THR 110 2HG2 THR 110 10.134 4.891 -10.151 845 3HG2 THR 110 3HG2 THR 110 9.394 3.865 -8.923 846 H HIS 111 H HIS 111 12.967 5.152 -6.300 847 HA HIS 111 HA HIS 111 14.317 7.706 -5.911 848 1HB HIS 111 1HB HIS 111 11.926 6.831 -4.283 849 2HB HIS 111 2HB HIS 111 13.006 8.142 -3.823 850 HD1 HIS 111 HD1 HIS 111 10.313 7.252 -6.265 851 HD2 HIS 111 HD2 HIS 111 12.646 10.531 -5.227 852 HE1 HIS 111 HE1 HIS 111 9.277 9.215 -7.447 853 HE2 HIS 111 HE2 HIS 111 10.653 11.201 -6.734 Start of MODEL 29 1 H MET 1 H MET 1 -7.092 20.479 4.590 2 HA MET 1 HA MET 1 -8.062 20.471 6.778 3 1HB MET 1 1HB MET 1 -6.019 21.202 7.968 4 2HB MET 1 2HB MET 1 -6.218 22.814 7.294 5 1HG MET 1 1HG MET 1 -8.386 22.994 8.455 6 2HG MET 1 2HG MET 1 -8.095 21.416 9.186 7 1HE MET 1 1HE MET 1 -7.645 24.103 12.078 8 2HE MET 1 2HE MET 1 -8.447 22.585 11.673 9 3HE MET 1 3HE MET 1 -8.803 24.044 10.749 10 H ALA 2 H ALA 2 -7.074 23.202 4.784 11 HA ALA 2 HA ALA 2 -9.338 24.823 5.253 12 1HB ALA 2 1HB ALA 2 -7.594 24.758 2.793 13 2HB ALA 2 2HB ALA 2 -7.224 25.644 4.272 14 3HB ALA 2 3HB ALA 2 -8.638 26.081 3.313 15 H ASP 3 H ASP 3 -8.810 22.039 3.285 16 HA ASP 3 HA ASP 3 -11.408 22.436 1.958 17 1HB ASP 3 1HB ASP 3 -9.084 20.656 1.190 18 2HB ASP 3 2HB ASP 3 -10.623 20.721 0.336 19 H GLU 4 H GLU 4 -10.408 21.180 4.668 20 HA GLU 4 HA GLU 4 -11.130 19.570 6.096 21 1HB GLU 4 1HB GLU 4 -13.360 20.329 5.397 22 2HB GLU 4 2HB GLU 4 -13.325 19.200 4.050 23 1HG GLU 4 1HG GLU 4 -14.672 18.298 5.818 24 2HG GLU 4 2HG GLU 4 -13.206 17.333 5.648 25 H ASN 5 H ASN 5 -9.543 18.094 6.076 26 HA ASN 5 HA ASN 5 -8.604 16.039 5.851 27 1HB ASN 5 1HB ASN 5 -10.872 15.102 5.735 28 2HB ASN 5 2HB ASN 5 -10.913 15.412 4.002 29 1HD2 ASN 5 1HD2 ASN 5 -11.203 13.250 3.508 30 2HD2 ASN 5 2HD2 ASN 5 -9.936 12.087 3.664 31 H LYS 6 H LYS 6 -9.796 17.357 2.770 32 HA LYS 6 HA LYS 6 -8.792 17.669 0.758 33 1HB LYS 6 1HB LYS 6 -7.193 18.946 2.154 34 2HB LYS 6 2HB LYS 6 -6.230 17.489 2.354 35 1HG LYS 6 1HG LYS 6 -5.831 17.428 -0.061 36 2HG LYS 6 2HG LYS 6 -6.783 18.904 -0.247 37 1HD LYS 6 1HD LYS 6 -5.203 20.093 1.211 38 2HD LYS 6 2HD LYS 6 -4.246 18.617 1.363 39 1HE LYS 6 1HE LYS 6 -3.845 18.633 -1.051 40 2HE LYS 6 2HE LYS 6 -4.805 20.105 -1.202 41 1HZ LYS 6 1HZ LYS 6 -2.288 19.835 0.352 42 2HZ LYS 6 2HZ LYS 6 -3.207 21.247 0.206 43 3HZ LYS 6 3HZ LYS 6 -2.442 20.593 -1.153 44 H TRP 7 H TRP 7 -5.990 15.855 1.802 45 HA TRP 7 HA TRP 7 -6.404 13.949 -0.311 46 1HB TRP 7 1HB TRP 7 -4.237 12.950 0.696 47 2HB TRP 7 2HB TRP 7 -4.155 14.526 -0.073 48 HD1 TRP 7 HD1 TRP 7 -5.506 14.278 3.495 49 HE1 TRP 7 HE1 TRP 7 -3.823 15.385 5.093 50 HE3 TRP 7 HE3 TRP 7 -1.659 15.051 0.216 51 HZ2 TRP 7 HZ2 TRP 7 -1.213 16.447 4.982 52 HZ3 TRP 7 HZ3 TRP 7 0.397 16.120 1.045 53 HH2 TRP 7 HH2 TRP 7 0.614 16.804 3.378 54 H VAL 8 H VAL 8 -5.223 11.658 0.995 55 HA VAL 8 HA VAL 8 -5.732 9.822 2.242 56 HB VAL 8 HB VAL 8 -7.852 11.437 3.666 57 1HG1 VAL 8 1HG1 VAL 8 -6.371 8.906 4.350 58 2HG1 VAL 8 2HG1 VAL 8 -8.101 9.100 4.075 59 3HG1 VAL 8 3HG1 VAL 8 -7.350 9.812 5.503 60 1HG2 VAL 8 1HG2 VAL 8 -6.189 11.925 5.372 61 2HG2 VAL 8 2HG2 VAL 8 -5.699 12.584 3.814 62 3HG2 VAL 8 3HG2 VAL 8 -4.952 11.109 4.417 63 H ARG 9 H ARG 9 -7.825 11.453 0.225 64 HA ARG 9 HA ARG 9 -9.657 9.151 0.131 65 1HB ARG 9 1HB ARG 9 -10.194 12.034 -0.600 66 2HB ARG 9 2HB ARG 9 -11.313 10.711 -0.897 67 1HG ARG 9 1HG ARG 9 -11.365 10.276 1.544 68 2HG ARG 9 2HG ARG 9 -10.362 11.709 1.779 69 1HD ARG 9 1HD ARG 9 -12.729 12.207 2.135 70 2HD ARG 9 2HD ARG 9 -12.085 13.096 0.755 71 HE ARG 9 HE ARG 9 -13.116 11.087 -0.536 72 1HH1 ARG 9 1HH1 ARG 9 -14.443 12.672 2.268 73 2HH1 ARG 9 2HH1 ARG 9 -16.086 12.333 1.841 74 1HH2 ARG 9 1HH2 ARG 9 -15.276 10.638 -1.106 75 2HH2 ARG 9 2HH2 ARG 9 -16.559 11.177 -0.076 76 H ARG 10 H ARG 10 -7.567 11.273 -1.668 77 HA ARG 10 HA ARG 10 -8.320 10.645 -4.270 78 1HB ARG 10 1HB ARG 10 -6.016 11.219 -4.912 79 2HB ARG 10 2HB ARG 10 -6.666 12.377 -3.760 80 1HG ARG 10 1HG ARG 10 -5.434 11.266 -1.957 81 2HG ARG 10 2HG ARG 10 -4.767 10.127 -3.128 82 1HD ARG 10 1HD ARG 10 -3.771 12.049 -4.346 83 2HD ARG 10 2HD ARG 10 -4.340 13.111 -3.058 84 HE ARG 10 HE ARG 10 -2.851 11.094 -1.863 85 1HH1 ARG 10 1HH1 ARG 10 -2.344 13.716 -4.103 86 2HH1 ARG 10 2HH1 ARG 10 -0.689 13.952 -3.650 87 1HH2 ARG 10 1HH2 ARG 10 -0.676 11.397 -1.262 88 2HH2 ARG 10 2HH2 ARG 10 0.260 12.633 -2.035 89 H ASP 11 H ASP 11 -8.319 8.810 -5.383 90 HA ASP 11 HA ASP 11 -7.756 6.734 -6.145 91 1HB ASP 11 1HB ASP 11 -5.456 6.910 -4.194 92 2HB ASP 11 2HB ASP 11 -5.660 5.661 -5.420 93 H VAL 12 H VAL 12 -8.058 7.370 -2.745 94 HA VAL 12 HA VAL 12 -8.515 4.615 -2.025 95 HB VAL 12 HB VAL 12 -9.338 6.878 -0.253 96 1HG1 VAL 12 1HG1 VAL 12 -9.642 4.532 0.441 97 2HG1 VAL 12 2HG1 VAL 12 -8.537 5.408 1.498 98 3HG1 VAL 12 3HG1 VAL 12 -7.903 4.281 0.298 99 1HG2 VAL 12 1HG2 VAL 12 -6.474 6.072 -0.760 100 2HG2 VAL 12 2HG2 VAL 12 -7.025 7.154 0.520 101 3HG2 VAL 12 3HG2 VAL 12 -7.207 7.623 -1.170 102 H SER 13 H SER 13 -10.763 5.565 -0.166 103 HA SER 13 HA SER 13 -13.021 5.498 -0.088 104 1HB SER 13 1HB SER 13 -14.255 6.836 -1.573 105 2HB SER 13 2HB SER 13 -12.653 7.573 -1.586 106 HG SER 13 HG SER 13 -12.841 7.325 -3.666 107 H THR 14 H THR 14 -11.357 3.325 -1.393 108 HA THR 14 HA THR 14 -13.459 1.522 -1.902 109 HB THR 14 HB THR 14 -13.794 2.486 -4.031 110 HG1 THR 14 HG1 THR 14 -13.780 0.496 -4.737 111 1HG2 THR 14 1HG2 THR 14 -11.884 3.885 -4.286 112 2HG2 THR 14 2HG2 THR 14 -11.882 2.771 -5.652 113 3HG2 THR 14 3HG2 THR 14 -10.790 2.502 -4.295 114 H ALA 15 H ALA 15 -12.401 0.064 -0.586 115 HA ALA 15 HA ALA 15 -9.626 -0.591 -1.225 116 1HB ALA 15 1HB ALA 15 -10.248 -0.151 1.119 117 2HB ALA 15 2HB ALA 15 -9.562 -1.757 0.879 118 3HB ALA 15 3HB ALA 15 -11.304 -1.563 1.075 119 H LEU 16 H LEU 16 -12.325 -2.684 -0.148 120 HA LEU 16 HA LEU 16 -11.337 -4.718 -1.971 121 1HB LEU 16 1HB LEU 16 -13.185 -6.112 -0.870 122 2HB LEU 16 2HB LEU 16 -11.788 -5.670 0.093 123 HG LEU 16 HG LEU 16 -13.601 -3.621 0.579 124 1HD1 LEU 16 1HD1 LEU 16 -15.092 -6.212 0.852 125 2HD1 LEU 16 2HD1 LEU 16 -15.282 -5.168 -0.556 126 3HD1 LEU 16 3HD1 LEU 16 -15.695 -4.566 1.049 127 1HD2 LEU 16 1HD2 LEU 16 -12.104 -4.609 2.202 128 2HD2 LEU 16 2HD2 LEU 16 -13.009 -6.121 2.154 129 3HD2 LEU 16 3HD2 LEU 16 -13.761 -4.664 2.802 130 H SER 17 H SER 17 -14.617 -3.599 -1.169 131 HA SER 17 HA SER 17 -15.460 -4.131 -3.906 132 1HB SER 17 1HB SER 17 -17.740 -3.653 -3.033 133 2HB SER 17 2HB SER 17 -16.928 -4.932 -2.130 134 HG SER 17 HG SER 17 -17.415 -3.736 -0.470 135 H ARG 18 H ARG 18 -15.564 -1.514 -1.545 136 HA ARG 18 HA ARG 18 -14.682 0.568 -3.100 137 1HB ARG 18 1HB ARG 18 -16.821 1.753 -3.644 138 2HB ARG 18 2HB ARG 18 -16.555 0.294 -4.589 139 1HG ARG 18 1HG ARG 18 -17.989 -0.517 -2.324 140 2HG ARG 18 2HG ARG 18 -18.747 0.979 -2.874 141 1HD ARG 18 1HD ARG 18 -18.205 -1.471 -4.548 142 2HD ARG 18 2HD ARG 18 -19.775 -0.955 -3.937 143 HE ARG 18 HE ARG 18 -18.780 1.161 -5.409 144 1HH1 ARG 18 1HH1 ARG 18 -19.653 -2.164 -5.982 145 2HH1 ARG 18 2HH1 ARG 18 -20.107 -1.896 -7.632 146 1HH2 ARG 18 1HH2 ARG 18 -19.375 1.525 -7.580 147 2HH2 ARG 18 2HH2 ARG 18 -19.949 0.202 -8.540 148 H MET 19 H MET 19 -14.191 0.007 -0.584 149 HA MET 19 HA MET 19 -15.916 1.730 1.067 150 1HB MET 19 1HB MET 19 -13.908 -0.241 2.124 151 2HB MET 19 2HB MET 19 -15.308 0.444 2.942 152 1HG MET 19 1HG MET 19 -16.733 -0.791 1.267 153 2HG MET 19 2HG MET 19 -15.259 -1.621 0.765 154 1HE MET 19 1HE MET 19 -16.143 -0.563 4.522 155 2HE MET 19 2HE MET 19 -17.146 -1.944 4.964 156 3HE MET 19 3HE MET 19 -17.675 -0.841 3.693 157 H GLY 20 H GLY 20 -12.497 0.956 0.433 158 1HA GLY 20 1HA GLY 20 -10.784 2.574 0.273 159 2HA GLY 20 2HA GLY 20 -11.819 3.718 1.110 160 H ASP 21 H ASP 21 -10.511 4.350 2.745 161 HA ASP 21 HA ASP 21 -8.711 2.759 4.162 162 1HB ASP 21 1HB ASP 21 -8.782 4.547 5.884 163 2HB ASP 21 2HB ASP 21 -8.597 5.178 4.251 164 H GLU 22 H GLU 22 -12.148 3.141 4.523 165 HA GLU 22 HA GLU 22 -12.444 2.226 7.159 166 1HB GLU 22 1HB GLU 22 -14.246 3.322 5.896 167 2HB GLU 22 2HB GLU 22 -14.346 1.929 4.830 168 1HG GLU 22 1HG GLU 22 -16.117 1.968 6.532 169 2HG GLU 22 2HG GLU 22 -15.097 0.533 6.634 170 H ALA 23 H ALA 23 -11.924 0.531 4.155 171 HA ALA 23 HA ALA 23 -12.311 -2.047 5.511 172 1HB ALA 23 1HB ALA 23 -12.197 -1.338 2.590 173 2HB ALA 23 2HB ALA 23 -13.596 -1.885 3.514 174 3HB ALA 23 3HB ALA 23 -12.258 -2.989 3.202 175 H PHE 24 H PHE 24 -9.912 -0.135 5.559 176 HA PHE 24 HA PHE 24 -7.756 -1.240 4.197 177 1HB PHE 24 1HB PHE 24 -7.931 0.931 5.586 178 2HB PHE 24 2HB PHE 24 -7.518 -0.084 6.960 179 HD1 PHE 24 HD1 PHE 24 -5.726 1.881 6.828 180 HD2 PHE 24 HD2 PHE 24 -5.880 -1.479 4.218 181 HE1 PHE 24 HE1 PHE 24 -3.345 2.169 6.312 182 HE2 PHE 24 HE2 PHE 24 -3.504 -1.193 3.703 183 HZ PHE 24 HZ PHE 24 -2.224 0.634 4.747 184 H GLU 25 H GLU 25 -8.863 -1.897 7.519 185 HA GLU 25 HA GLU 25 -6.941 -3.877 8.057 186 1HB GLU 25 1HB GLU 25 -9.229 -4.509 9.547 187 2HB GLU 25 2HB GLU 25 -7.783 -3.681 10.092 188 1HG GLU 25 1HG GLU 25 -8.748 -1.541 9.563 189 2HG GLU 25 2HG GLU 25 -10.162 -2.314 8.850 190 HA PRO 26 HA PRO 26 -10.727 -7.066 7.074 191 1HB PRO 26 1HB PRO 26 -11.416 -5.485 4.625 192 2HB PRO 26 2HB PRO 26 -12.439 -6.547 5.600 193 1HG PRO 26 1HG PRO 26 -12.556 -3.873 5.819 194 2HG PRO 26 2HG PRO 26 -12.809 -4.945 7.207 195 1HD PRO 26 1HD PRO 26 -10.542 -3.164 6.608 196 2HD PRO 26 2HD PRO 26 -11.052 -3.859 8.155 197 H LEU 27 H LEU 27 -8.888 -5.129 4.810 198 HA LEU 27 HA LEU 27 -8.238 -7.171 2.968 199 1HB LEU 27 1HB LEU 27 -7.120 -4.486 3.687 200 2HB LEU 27 2HB LEU 27 -6.286 -5.503 2.517 201 HG LEU 27 HG LEU 27 -9.116 -4.472 2.256 202 1HD1 LEU 27 1HD1 LEU 27 -8.170 -3.150 0.392 203 2HD1 LEU 27 2HD1 LEU 27 -6.559 -3.683 0.873 204 3HD1 LEU 27 3HD1 LEU 27 -7.522 -2.691 1.968 205 1HD2 LEU 27 1HD2 LEU 27 -8.998 -5.380 -0.023 206 2HD2 LEU 27 2HD2 LEU 27 -8.871 -6.646 1.199 207 3HD2 LEU 27 3HD2 LEU 27 -7.428 -6.090 0.351 208 H LEU 28 H LEU 28 -6.385 -5.641 5.570 209 HA LEU 28 HA LEU 28 -4.135 -7.307 5.465 210 1HB LEU 28 1HB LEU 28 -3.989 -5.216 6.584 211 2HB LEU 28 2HB LEU 28 -5.339 -5.601 7.633 212 HG LEU 28 HG LEU 28 -3.935 -7.340 8.726 213 1HD1 LEU 28 1HD1 LEU 28 -2.378 -7.754 6.893 214 2HD1 LEU 28 2HD1 LEU 28 -1.515 -7.290 8.360 215 3HD1 LEU 28 3HD1 LEU 28 -1.737 -6.119 7.060 216 1HD2 LEU 28 1HD2 LEU 28 -2.756 -4.566 8.766 217 2HD2 LEU 28 2HD2 LEU 28 -2.622 -5.786 10.033 218 3HD2 LEU 28 3HD2 LEU 28 -4.192 -5.075 9.655 219 H GLU 29 H GLU 29 -7.288 -7.844 6.681 220 HA GLU 29 HA GLU 29 -6.622 -9.843 8.618 221 1HB GLU 29 1HB GLU 29 -8.697 -8.487 8.716 222 2HB GLU 29 2HB GLU 29 -9.266 -9.295 7.262 223 1HG GLU 29 1HG GLU 29 -9.212 -11.442 8.458 224 2HG GLU 29 2HG GLU 29 -8.706 -10.593 9.919 225 H SER 30 H SER 30 -7.785 -9.874 5.273 226 HA SER 30 HA SER 30 -8.083 -12.676 5.071 227 1HB SER 30 1HB SER 30 -7.589 -10.630 2.895 228 2HB SER 30 2HB SER 30 -8.131 -12.288 2.632 229 HG SER 30 HG SER 30 -9.893 -10.862 2.660 230 H LEU 31 H LEU 31 -5.305 -10.738 5.226 231 HA LEU 31 HA LEU 31 -3.575 -12.281 3.582 232 1HB LEU 31 1HB LEU 31 -3.079 -10.306 5.794 233 2HB LEU 31 2HB LEU 31 -1.768 -11.129 4.971 234 HG LEU 31 HG LEU 31 -3.802 -9.353 3.620 235 1HD1 LEU 31 1HD1 LEU 31 -0.969 -8.846 4.499 236 2HD1 LEU 31 2HD1 LEU 31 -2.424 -7.982 4.993 237 3HD1 LEU 31 3HD1 LEU 31 -1.830 -7.836 3.340 238 1HD2 LEU 31 1HD2 LEU 31 -2.320 -9.517 1.689 239 2HD2 LEU 31 2HD2 LEU 31 -2.920 -11.107 2.162 240 3HD2 LEU 31 3HD2 LEU 31 -1.274 -10.625 2.577 241 H SER 32 H SER 32 -5.023 -12.954 6.531 242 HA SER 32 HA SER 32 -2.870 -14.767 7.364 243 1HB SER 32 1HB SER 32 -4.019 -14.916 9.502 244 2HB SER 32 2HB SER 32 -3.813 -13.219 9.071 245 HG SER 32 HG SER 32 -5.956 -13.873 9.851 246 H ASN 33 H ASN 33 -5.178 -14.962 5.228 247 HA ASN 33 HA ASN 33 -6.584 -17.325 6.099 248 1HB ASN 33 1HB ASN 33 -6.540 -15.787 3.506 249 2HB ASN 33 2HB ASN 33 -7.446 -17.285 3.699 250 1HD2 ASN 33 1HD2 ASN 33 -9.437 -16.375 3.447 251 2HD2 ASN 33 2HD2 ASN 33 -10.141 -15.299 4.601 252 H GLU 34 H GLU 34 -6.365 -19.397 5.294 253 HA GLU 34 HA GLU 34 -3.725 -20.210 4.654 254 1HB GLU 34 1HB GLU 34 -6.285 -21.804 4.436 255 2HB GLU 34 2HB GLU 34 -4.654 -22.460 4.483 256 1HG GLU 34 1HG GLU 34 -5.436 -22.771 6.641 257 2HG GLU 34 2HG GLU 34 -4.464 -21.305 6.759 258 H ASP 35 H ASP 35 -6.341 -19.129 2.749 259 HA ASP 35 HA ASP 35 -5.617 -20.518 0.341 260 1HB ASP 35 1HB ASP 35 -7.432 -18.145 0.816 261 2HB ASP 35 2HB ASP 35 -7.243 -18.958 -0.734 262 H TRP 36 H TRP 36 -4.488 -19.764 -1.410 263 HA TRP 36 HA TRP 36 -2.753 -17.470 -0.881 264 1HB TRP 36 1HB TRP 36 -1.483 -18.369 -2.885 265 2HB TRP 36 2HB TRP 36 -1.524 -19.417 -1.470 266 HD1 TRP 36 HD1 TRP 36 -3.271 -19.062 -4.906 267 HE1 TRP 36 HE1 TRP 36 -3.989 -21.410 -5.678 268 HE3 TRP 36 HE3 TRP 36 -1.932 -21.735 -0.759 269 HZ2 TRP 36 HZ2 TRP 36 -3.990 -24.039 -4.672 270 HZ3 TRP 36 HZ3 TRP 36 -2.328 -24.164 -0.746 271 HH2 TRP 36 HH2 TRP 36 -3.337 -25.286 -2.667 272 H ARG 37 H ARG 37 -5.406 -18.430 -2.857 273 HA ARG 37 HA ARG 37 -4.983 -16.575 -4.987 274 1HB ARG 37 1HB ARG 37 -7.503 -17.970 -4.063 275 2HB ARG 37 2HB ARG 37 -7.349 -17.060 -5.560 276 1HG ARG 37 1HG ARG 37 -5.676 -18.634 -6.361 277 2HG ARG 37 2HG ARG 37 -5.787 -19.535 -4.848 278 1HD ARG 37 1HD ARG 37 -8.232 -19.851 -5.346 279 2HD ARG 37 2HD ARG 37 -7.919 -19.179 -6.945 280 HE ARG 37 HE ARG 37 -6.106 -21.239 -6.583 281 1HH1 ARG 37 1HH1 ARG 37 -9.567 -20.854 -6.733 282 2HH1 ARG 37 2HH1 ARG 37 -9.845 -22.446 -7.351 283 1HH2 ARG 37 1HH2 ARG 37 -6.468 -23.342 -7.397 284 2HH2 ARG 37 2HH2 ARG 37 -8.087 -23.859 -7.728 285 H ILE 38 H ILE 38 -6.736 -16.520 -1.945 286 HA ILE 38 HA ILE 38 -7.907 -13.933 -2.447 287 HB ILE 38 HB ILE 38 -7.849 -15.680 0.016 288 1HG1 ILE 38 1HG1 ILE 38 -10.287 -15.869 -0.444 289 2HG1 ILE 38 2HG1 ILE 38 -10.057 -14.941 -1.921 290 1HG2 ILE 38 1HG2 ILE 38 -9.196 -13.013 -0.381 291 2HG2 ILE 38 2HG2 ILE 38 -7.906 -13.390 0.760 292 3HG2 ILE 38 3HG2 ILE 38 -9.504 -14.105 0.968 293 1HD1 ILE 38 1HD1 ILE 38 -10.233 -17.334 -2.347 294 2HD1 ILE 38 2HD1 ILE 38 -8.825 -17.620 -1.324 295 3HD1 ILE 38 3HD1 ILE 38 -8.657 -16.706 -2.822 296 H ARG 39 H ARG 39 -5.186 -15.254 -0.650 297 HA ARG 39 HA ARG 39 -4.534 -12.917 0.796 298 1HB ARG 39 1HB ARG 39 -3.678 -15.387 1.033 299 2HB ARG 39 2HB ARG 39 -2.434 -14.860 -0.092 300 1HG ARG 39 1HG ARG 39 -1.930 -12.987 1.502 301 2HG ARG 39 2HG ARG 39 -3.010 -13.779 2.651 302 1HD ARG 39 1HD ARG 39 -0.507 -14.939 1.436 303 2HD ARG 39 2HD ARG 39 -0.714 -14.402 3.102 304 HE ARG 39 HE ARG 39 -2.637 -16.278 2.831 305 1HH1 ARG 39 1HH1 ARG 39 0.779 -16.263 2.139 306 2HH1 ARG 39 2HH1 ARG 39 0.978 -17.957 2.442 307 1HH2 ARG 39 1HH2 ARG 39 -2.383 -18.511 3.230 308 2HH2 ARG 39 2HH2 ARG 39 -0.818 -19.235 3.062 309 H GLY 40 H GLY 40 -4.002 -13.891 -2.482 310 1HA GLY 40 1HA GLY 40 -1.813 -12.185 -3.079 311 2HA GLY 40 2HA GLY 40 -2.913 -12.901 -4.247 312 H ALA 41 H ALA 41 -5.201 -11.839 -4.145 313 HA ALA 41 HA ALA 41 -5.074 -9.283 -5.117 314 1HB ALA 41 1HB ALA 41 -7.038 -10.715 -5.353 315 2HB ALA 41 2HB ALA 41 -7.480 -9.128 -4.723 316 3HB ALA 41 3HB ALA 41 -7.397 -10.515 -3.638 317 H ALA 42 H ALA 42 -5.513 -10.299 -1.759 318 HA ALA 42 HA ALA 42 -6.084 -7.818 -0.621 319 1HB ALA 42 1HB ALA 42 -4.518 -10.096 0.589 320 2HB ALA 42 2HB ALA 42 -6.272 -9.917 0.614 321 3HB ALA 42 3HB ALA 42 -5.255 -8.763 1.478 322 H ALA 43 H ALA 43 -2.927 -9.437 -0.923 323 HA ALA 43 HA ALA 43 -1.340 -7.327 0.018 324 1HB ALA 43 1HB ALA 43 -0.396 -9.507 -0.170 325 2HB ALA 43 2HB ALA 43 0.491 -8.455 -1.277 326 3HB ALA 43 3HB ALA 43 -0.729 -9.568 -1.901 327 H TRP 44 H TRP 44 -2.693 -8.038 -3.120 328 HA TRP 44 HA TRP 44 -1.196 -6.219 -4.655 329 1HB TRP 44 1HB TRP 44 -3.734 -7.734 -5.004 330 2HB TRP 44 2HB TRP 44 -3.417 -6.403 -6.109 331 HD1 TRP 44 HD1 TRP 44 -1.059 -9.170 -4.737 332 HE1 TRP 44 HE1 TRP 44 0.116 -10.272 -6.740 333 HE3 TRP 44 HE3 TRP 44 -3.321 -6.588 -8.525 334 HZ2 TRP 44 HZ2 TRP 44 0.092 -10.079 -9.551 335 HZ3 TRP 44 HZ3 TRP 44 -2.691 -7.111 -10.846 336 HH2 TRP 44 HH2 TRP 44 -1.022 -8.820 -11.347 337 H ILE 45 H ILE 45 -4.014 -5.861 -2.636 338 HA ILE 45 HA ILE 45 -4.433 -3.107 -3.546 339 HB ILE 45 HB ILE 45 -6.100 -4.761 -1.640 340 1HG1 ILE 45 1HG1 ILE 45 -6.648 -4.053 -4.532 341 2HG1 ILE 45 2HG1 ILE 45 -6.018 -5.609 -3.999 342 1HG2 ILE 45 1HG2 ILE 45 -7.813 -3.020 -2.047 343 2HG2 ILE 45 2HG2 ILE 45 -6.612 -2.088 -2.942 344 3HG2 ILE 45 3HG2 ILE 45 -6.381 -2.405 -1.221 345 1HD1 ILE 45 1HD1 ILE 45 -8.413 -5.697 -4.414 346 2HD1 ILE 45 2HD1 ILE 45 -8.674 -4.431 -3.214 347 3HD1 ILE 45 3HD1 ILE 45 -8.046 -6.002 -2.716 348 H ILE 46 H ILE 46 -3.007 -4.888 -1.008 349 HA ILE 46 HA ILE 46 -3.309 -3.327 1.233 350 HB ILE 46 HB ILE 46 -1.122 -5.099 0.256 351 1HG1 ILE 46 1HG1 ILE 46 -3.130 -6.036 1.320 352 2HG1 ILE 46 2HG1 ILE 46 -1.684 -6.365 2.268 353 1HG2 ILE 46 1HG2 ILE 46 0.147 -4.743 2.348 354 2HG2 ILE 46 2HG2 ILE 46 -0.880 -3.356 2.699 355 3HG2 ILE 46 3HG2 ILE 46 0.163 -3.343 1.278 356 1HD1 ILE 46 1HD1 ILE 46 -2.279 -4.545 3.788 357 2HD1 ILE 46 2HD1 ILE 46 -3.545 -5.769 3.697 358 3HD1 ILE 46 3HD1 ILE 46 -3.735 -4.238 2.842 359 H GLY 47 H GLY 47 -0.547 -3.037 -1.040 360 1HA GLY 47 1HA GLY 47 0.415 -0.657 0.174 361 2HA GLY 47 2HA GLY 47 0.926 -1.301 -1.372 362 H ASN 48 H ASN 48 -2.313 -1.014 -1.693 363 HA ASN 48 HA ASN 48 -2.082 1.288 -3.350 364 1HB ASN 48 1HB ASN 48 -4.484 -0.292 -2.424 365 2HB ASN 48 2HB ASN 48 -4.599 1.072 -3.527 366 1HD2 ASN 48 1HD2 ASN 48 -1.916 -1.170 -3.544 367 2HD2 ASN 48 2HD2 ASN 48 -2.295 -1.905 -5.058 368 H PHE 49 H PHE 49 -2.130 1.122 -0.086 369 HA PHE 49 HA PHE 49 -3.738 3.559 0.256 370 1HB PHE 49 1HB PHE 49 -2.796 1.492 2.245 371 2HB PHE 49 2HB PHE 49 -3.562 3.006 2.713 372 HD1 PHE 49 HD1 PHE 49 -4.091 -0.091 0.746 373 HD2 PHE 49 HD2 PHE 49 -5.879 3.197 2.768 374 HE1 PHE 49 HE1 PHE 49 -6.301 -1.140 0.486 375 HE2 PHE 49 HE2 PHE 49 -8.093 2.155 2.513 376 HZ PHE 49 HZ PHE 49 -8.302 -0.014 1.373 377 H GLN 50 H GLN 50 -0.510 2.338 0.360 378 HA GLN 50 HA GLN 50 1.510 3.322 0.717 379 1HB GLN 50 1HB GLN 50 -0.141 5.837 0.438 380 2HB GLN 50 2HB GLN 50 1.613 5.827 0.559 381 1HG GLN 50 1HG GLN 50 1.599 5.730 -1.658 382 2HG GLN 50 2HG GLN 50 1.161 4.036 -1.440 383 1HE2 GLN 50 1HE2 GLN 50 -0.948 3.383 -1.793 384 2HE2 GLN 50 2HE2 GLN 50 -2.103 4.378 -2.604 385 H ASP 51 H ASP 51 -0.476 2.796 2.934 386 HA ASP 51 HA ASP 51 0.482 4.672 4.967 387 1HB ASP 51 1HB ASP 51 -1.998 3.785 4.641 388 2HB ASP 51 2HB ASP 51 -1.396 2.450 5.625 389 H GLU 52 H GLU 52 0.893 3.620 7.167 390 HA GLU 52 HA GLU 52 3.168 1.964 6.949 391 1HB GLU 52 1HB GLU 52 3.066 3.488 8.770 392 2HB GLU 52 2HB GLU 52 1.504 2.872 9.291 393 1HG GLU 52 1HG GLU 52 2.576 0.736 9.877 394 2HG GLU 52 2HG GLU 52 4.138 1.430 9.440 395 H ARG 53 H ARG 53 -0.209 1.311 7.655 396 HA ARG 53 HA ARG 53 0.125 -1.330 8.619 397 1HB ARG 53 1HB ARG 53 -1.921 -0.017 8.994 398 2HB ARG 53 2HB ARG 53 -2.270 -0.063 7.273 399 1HG ARG 53 1HG ARG 53 -2.696 -2.388 7.321 400 2HG ARG 53 2HG ARG 53 -2.031 -2.545 8.950 401 1HD ARG 53 1HD ARG 53 -4.528 -1.040 8.176 402 2HD ARG 53 2HD ARG 53 -4.466 -2.602 8.991 403 HE ARG 53 HE ARG 53 -3.012 -0.862 10.561 404 1HH1 ARG 53 1HH1 ARG 53 -6.288 -1.109 9.401 405 2HH1 ARG 53 2HH1 ARG 53 -6.970 -0.299 10.772 406 1HH2 ARG 53 1HH2 ARG 53 -3.901 0.203 12.368 407 2HH2 ARG 53 2HH2 ARG 53 -5.614 0.448 12.459 408 H ALA 54 H ALA 54 0.502 -0.020 5.537 409 HA ALA 54 HA ALA 54 -0.078 -2.562 4.197 410 1HB ALA 54 1HB ALA 54 -0.078 -1.348 2.141 411 2HB ALA 54 2HB ALA 54 0.586 0.083 2.925 412 3HB ALA 54 3HB ALA 54 -1.051 -0.448 3.304 413 H VAL 55 H VAL 55 2.464 -1.380 5.769 414 HA VAL 55 HA VAL 55 4.471 -1.916 3.726 415 HB VAL 55 HB VAL 55 4.539 -0.007 5.499 416 1HG1 VAL 55 1HG1 VAL 55 5.798 -0.531 7.505 417 2HG1 VAL 55 2HG1 VAL 55 5.820 -2.239 7.068 418 3HG1 VAL 55 3HG1 VAL 55 4.294 -1.449 7.463 419 1HG2 VAL 55 1HG2 VAL 55 7.001 -0.029 5.406 420 2HG2 VAL 55 2HG2 VAL 55 6.258 -0.381 3.845 421 3HG2 VAL 55 3HG2 VAL 55 6.942 -1.688 4.810 422 H GLU 56 H GLU 56 3.335 -3.301 6.783 423 HA GLU 56 HA GLU 56 5.372 -5.191 7.107 424 1HB GLU 56 1HB GLU 56 3.858 -4.683 8.925 425 2HB GLU 56 2HB GLU 56 2.496 -5.321 8.015 426 1HG GLU 56 1HG GLU 56 3.314 -7.535 8.168 427 2HG GLU 56 2HG GLU 56 4.874 -6.987 8.778 428 HA PRO 57 HA PRO 57 2.246 -8.319 4.800 429 1HB PRO 57 1HB PRO 57 1.424 -6.237 2.819 430 2HB PRO 57 2HB PRO 57 0.530 -7.647 3.403 431 1HG PRO 57 1HG PRO 57 -0.048 -5.211 4.303 432 2HG PRO 57 2HG PRO 57 -0.066 -6.611 5.389 433 1HD PRO 57 1HD PRO 57 1.925 -4.413 5.166 434 2HD PRO 57 2HD PRO 57 1.432 -5.352 6.588 435 H LEU 58 H LEU 58 3.589 -5.572 2.988 436 HA LEU 58 HA LEU 58 4.631 -6.992 0.841 437 1HB LEU 58 1HB LEU 58 6.013 -4.579 1.963 438 2HB LEU 58 2HB LEU 58 5.815 -5.050 0.286 439 HG LEU 58 HG LEU 58 3.593 -4.065 2.076 440 1HD1 LEU 58 1HD1 LEU 58 4.960 -2.644 -0.201 441 2HD1 LEU 58 2HD1 LEU 58 5.294 -2.349 1.506 442 3HD1 LEU 58 3HD1 LEU 58 3.692 -2.011 0.849 443 1HD2 LEU 58 1HD2 LEU 58 3.651 -4.683 -0.876 444 2HD2 LEU 58 2HD2 LEU 58 2.310 -3.928 -0.015 445 3HD2 LEU 58 3HD2 LEU 58 2.782 -5.584 0.367 446 H ILE 59 H ILE 59 6.028 -6.344 4.013 447 HA ILE 59 HA ILE 59 8.652 -7.166 3.473 448 HB ILE 59 HB ILE 59 7.126 -7.254 6.072 449 1HG1 ILE 59 1HG1 ILE 59 7.345 -5.008 5.106 450 2HG1 ILE 59 2HG1 ILE 59 8.311 -5.166 6.567 451 1HG2 ILE 59 1HG2 ILE 59 9.374 -7.295 7.131 452 2HG2 ILE 59 2HG2 ILE 59 10.072 -7.583 5.538 453 3HG2 ILE 59 3HG2 ILE 59 8.976 -8.768 6.246 454 1HD1 ILE 59 1HD1 ILE 59 9.488 -3.929 4.832 455 2HD1 ILE 59 2HD1 ILE 59 9.356 -5.315 3.748 456 3HD1 ILE 59 3HD1 ILE 59 10.319 -5.436 5.221 457 H LYS 60 H LYS 60 6.083 -8.999 5.114 458 HA LYS 60 HA LYS 60 7.532 -11.443 5.114 459 1HB LYS 60 1HB LYS 60 4.547 -11.277 5.358 460 2HB LYS 60 2HB LYS 60 5.659 -12.381 6.154 461 1HG LYS 60 1HG LYS 60 5.416 -9.430 6.731 462 2HG LYS 60 2HG LYS 60 4.724 -10.732 7.701 463 1HD LYS 60 1HD LYS 60 7.669 -10.366 7.151 464 2HD LYS 60 2HD LYS 60 6.846 -9.861 8.628 465 1HE LYS 60 1HE LYS 60 6.240 -12.161 9.107 466 2HE LYS 60 2HE LYS 60 6.975 -12.693 7.595 467 1HZ LYS 60 1HZ LYS 60 9.120 -11.928 8.422 468 2HZ LYS 60 2HZ LYS 60 8.447 -13.084 9.457 469 3HZ LYS 60 3HZ LYS 60 8.409 -11.448 9.880 470 H LEU 61 H LEU 61 5.933 -9.863 2.624 471 HA LEU 61 HA LEU 61 4.964 -12.250 1.292 472 1HB LEU 61 1HB LEU 61 4.738 -9.337 0.913 473 2HB LEU 61 2HB LEU 61 4.702 -10.300 -0.549 474 HG LEU 61 HG LEU 61 2.684 -11.272 -0.032 475 1HD1 LEU 61 1HD1 LEU 61 3.163 -10.606 2.868 476 2HD1 LEU 61 2HD1 LEU 61 3.224 -12.203 2.126 477 3HD1 LEU 61 3HD1 LEU 61 1.692 -11.337 2.229 478 1HD2 LEU 61 1HD2 LEU 61 2.265 -8.972 -0.438 479 2HD2 LEU 61 2HD2 LEU 61 2.674 -8.543 1.221 480 3HD2 LEU 61 3HD2 LEU 61 1.214 -9.471 0.887 481 H LEU 62 H LEU 62 7.528 -9.842 0.763 482 HA LEU 62 HA LEU 62 8.414 -10.778 -1.718 483 1HB LEU 62 1HB LEU 62 10.002 -9.463 0.487 484 2HB LEU 62 2HB LEU 62 10.495 -9.588 -1.192 485 HG LEU 62 HG LEU 62 7.898 -8.261 -0.585 486 1HD1 LEU 62 1HD1 LEU 62 9.198 -6.093 -0.394 487 2HD1 LEU 62 2HD1 LEU 62 10.615 -7.087 -0.056 488 3HD1 LEU 62 3HD1 LEU 62 9.219 -7.150 1.017 489 1HD2 LEU 62 1HD2 LEU 62 8.454 -6.976 -2.548 490 2HD2 LEU 62 2HD2 LEU 62 8.679 -8.690 -2.899 491 3HD2 LEU 62 3HD2 LEU 62 10.078 -7.663 -2.585 492 H GLU 63 H GLU 63 8.488 -12.244 1.280 493 HA GLU 63 HA GLU 63 10.670 -14.035 0.466 494 1HB GLU 63 1HB GLU 63 10.875 -14.547 2.896 495 2HB GLU 63 2HB GLU 63 11.265 -12.890 2.479 496 1HG GLU 63 1HG GLU 63 9.186 -12.110 3.336 497 2HG GLU 63 2HG GLU 63 8.593 -13.757 3.548 498 H ASP 64 H ASP 64 7.339 -13.771 1.042 499 HA ASP 64 HA ASP 64 6.710 -16.322 2.013 500 1HB ASP 64 1HB ASP 64 5.132 -14.385 1.911 501 2HB ASP 64 2HB ASP 64 5.014 -14.633 0.172 502 H ASP 65 H ASP 65 7.717 -15.265 -1.053 503 HA ASP 65 HA ASP 65 7.838 -16.229 -3.131 504 1HB ASP 65 1HB ASP 65 8.996 -18.380 -3.107 505 2HB ASP 65 2HB ASP 65 9.690 -17.259 -1.944 506 H SER 66 H SER 66 5.192 -16.371 -2.013 507 HA SER 66 HA SER 66 4.155 -18.975 -2.757 508 1HB SER 66 1HB SER 66 3.227 -17.692 -0.823 509 2HB SER 66 2HB SER 66 2.622 -16.491 -1.963 510 HG SER 66 HG SER 66 1.968 -19.227 -2.208 511 H GLY 67 H GLY 67 4.964 -16.171 -4.383 512 1HA GLY 67 1HA GLY 67 4.796 -15.928 -6.723 513 2HA GLY 67 2HA GLY 67 3.431 -17.035 -6.723 514 H PHE 68 H PHE 68 1.355 -16.240 -6.098 515 HA PHE 68 HA PHE 68 0.735 -13.666 -7.050 516 1HB PHE 68 1HB PHE 68 -0.778 -15.758 -6.719 517 2HB PHE 68 2HB PHE 68 -0.988 -15.160 -5.082 518 HD1 PHE 68 HD1 PHE 68 -3.217 -15.630 -6.916 519 HD2 PHE 68 HD2 PHE 68 -0.850 -12.123 -6.348 520 HE1 PHE 68 HE1 PHE 68 -5.089 -14.237 -7.687 521 HE2 PHE 68 HE2 PHE 68 -2.726 -10.741 -7.119 522 HZ PHE 68 HZ PHE 68 -4.846 -11.792 -7.788 523 H VAL 69 H VAL 69 1.155 -14.965 -3.801 524 HA VAL 69 HA VAL 69 0.499 -12.586 -2.413 525 HB VAL 69 HB VAL 69 2.300 -14.741 -1.344 526 1HG1 VAL 69 1HG1 VAL 69 1.106 -14.193 0.768 527 2HG1 VAL 69 2HG1 VAL 69 0.296 -12.878 -0.085 528 3HG1 VAL 69 3HG1 VAL 69 2.049 -12.858 0.109 529 1HG2 VAL 69 1HG2 VAL 69 -0.702 -14.816 -1.604 530 2HG2 VAL 69 2HG2 VAL 69 0.252 -15.932 -0.628 531 3HG2 VAL 69 3HG2 VAL 69 0.456 -15.897 -2.380 532 H ARG 70 H ARG 70 3.629 -14.080 -3.247 533 HA ARG 70 HA ARG 70 5.236 -12.090 -2.083 534 1HB ARG 70 1HB ARG 70 6.090 -14.308 -2.715 535 2HB ARG 70 2HB ARG 70 5.886 -13.901 -4.414 536 1HG ARG 70 1HG ARG 70 7.501 -12.039 -4.103 537 2HG ARG 70 2HG ARG 70 7.772 -12.608 -2.456 538 1HD ARG 70 1HD ARG 70 9.468 -13.387 -4.112 539 2HD ARG 70 2HD ARG 70 8.651 -14.681 -3.241 540 HE ARG 70 HE ARG 70 7.312 -14.154 -5.670 541 1HH1 ARG 70 1HH1 ARG 70 10.235 -15.593 -4.430 542 2HH1 ARG 70 2HH1 ARG 70 10.409 -16.693 -5.755 543 1HH2 ARG 70 1HH2 ARG 70 7.534 -15.601 -7.418 544 2HH2 ARG 70 2HH2 ARG 70 8.874 -16.698 -7.453 545 H SER 71 H SER 71 3.932 -12.426 -5.347 546 HA SER 71 HA SER 71 5.295 -10.246 -6.497 547 1HB SER 71 1HB SER 71 3.587 -10.359 -8.269 548 2HB SER 71 2HB SER 71 4.215 -11.957 -7.870 549 HG SER 71 HG SER 71 1.695 -11.115 -7.808 550 H GLY 72 H GLY 72 2.376 -10.479 -4.598 551 1HA GLY 72 1HA GLY 72 1.243 -7.984 -5.202 552 2HA GLY 72 2HA GLY 72 0.993 -8.879 -3.711 553 H ALA 73 H ALA 73 3.893 -8.851 -3.115 554 HA ALA 73 HA ALA 73 3.928 -6.402 -1.650 555 1HB ALA 73 1HB ALA 73 5.832 -8.689 -1.953 556 2HB ALA 73 2HB ALA 73 4.949 -8.146 -0.525 557 3HB ALA 73 3HB ALA 73 6.321 -7.215 -1.120 558 H ALA 74 H ALA 74 6.139 -7.707 -4.135 559 HA ALA 74 HA ALA 74 7.653 -5.372 -4.433 560 1HB ALA 74 1HB ALA 74 7.165 -7.463 -6.550 561 2HB ALA 74 2HB ALA 74 8.320 -7.633 -5.227 562 3HB ALA 74 3HB ALA 74 8.539 -6.363 -6.431 563 H ARG 75 H ARG 75 4.551 -6.255 -5.620 564 HA ARG 75 HA ARG 75 4.485 -4.314 -7.750 565 1HB ARG 75 1HB ARG 75 3.208 -6.494 -7.737 566 2HB ARG 75 2HB ARG 75 2.167 -5.798 -6.503 567 1HG ARG 75 1HG ARG 75 1.745 -3.917 -8.185 568 2HG ARG 75 2HG ARG 75 2.452 -5.010 -9.377 569 1HD ARG 75 1HD ARG 75 0.785 -6.732 -8.688 570 2HD ARG 75 2HD ARG 75 0.034 -5.520 -7.651 571 HE ARG 75 HE ARG 75 0.106 -5.454 -10.589 572 1HH1 ARG 75 1HH1 ARG 75 -1.177 -4.324 -7.551 573 2HH1 ARG 75 2HH1 ARG 75 -2.478 -3.445 -8.282 574 1HH2 ARG 75 1HH2 ARG 75 -1.605 -4.301 -11.558 575 2HH2 ARG 75 2HH2 ARG 75 -2.722 -3.435 -10.559 576 H SER 76 H SER 76 2.997 -4.677 -4.554 577 HA SER 76 HA SER 76 1.608 -2.215 -4.587 578 1HB SER 76 1HB SER 76 2.380 -4.162 -2.438 579 2HB SER 76 2HB SER 76 1.627 -2.625 -2.021 580 HG SER 76 HG SER 76 0.511 -4.361 -3.949 581 H LEU 77 H LEU 77 4.867 -3.085 -3.686 582 HA LEU 77 HA LEU 77 5.511 -0.851 -2.117 583 1HB LEU 77 1HB LEU 77 7.158 -2.688 -3.833 584 2HB LEU 77 2HB LEU 77 7.888 -1.349 -2.966 585 HG LEU 77 HG LEU 77 6.213 -3.347 -1.490 586 1HD1 LEU 77 1HD1 LEU 77 8.190 -4.679 -1.048 587 2HD1 LEU 77 2HD1 LEU 77 9.145 -3.656 -2.120 588 3HD1 LEU 77 3HD1 LEU 77 7.843 -4.648 -2.776 589 1HD2 LEU 77 1HD2 LEU 77 7.695 -2.705 0.354 590 2HD2 LEU 77 2HD2 LEU 77 6.865 -1.311 -0.337 591 3HD2 LEU 77 3HD2 LEU 77 8.558 -1.611 -0.728 592 H GLU 78 H GLU 78 6.310 -1.401 -5.551 593 HA GLU 78 HA GLU 78 7.234 1.136 -6.133 594 1HB GLU 78 1HB GLU 78 5.688 -0.667 -8.001 595 2HB GLU 78 2HB GLU 78 6.789 0.621 -8.469 596 1HG GLU 78 1HG GLU 78 8.608 -0.642 -7.290 597 2HG GLU 78 2HG GLU 78 7.467 -1.975 -7.122 598 H GLN 79 H GLN 79 3.910 -0.037 -6.026 599 HA GLN 79 HA GLN 79 2.648 2.133 -7.261 600 1HB GLN 79 1HB GLN 79 1.704 0.228 -5.121 601 2HB GLN 79 2HB GLN 79 0.660 1.461 -5.814 602 1HG GLN 79 1HG GLN 79 0.992 0.481 -8.034 603 2HG GLN 79 2HG GLN 79 2.006 -0.767 -7.316 604 1HE2 GLN 79 1HE2 GLN 79 1.072 -2.388 -6.097 605 2HE2 GLN 79 2HE2 GLN 79 -0.627 -2.694 -6.105 606 H ILE 80 H ILE 80 3.736 1.669 -3.949 607 HA ILE 80 HA ILE 80 2.525 4.034 -2.922 608 HB ILE 80 HB ILE 80 4.787 2.349 -1.846 609 1HG1 ILE 80 1HG1 ILE 80 1.897 2.537 -0.973 610 2HG1 ILE 80 2HG1 ILE 80 2.528 1.283 -2.034 611 1HG2 ILE 80 1HG2 ILE 80 5.035 4.539 -0.917 612 2HG2 ILE 80 2HG2 ILE 80 4.312 3.506 0.316 613 3HG2 ILE 80 3HG2 ILE 80 3.308 4.647 -0.578 614 1HD1 ILE 80 1HD1 ILE 80 3.948 0.453 -0.284 615 2HD1 ILE 80 2HD1 ILE 80 2.291 0.566 0.310 616 3HD1 ILE 80 3HD1 ILE 80 3.479 1.784 0.775 617 H GLY 81 H GLY 81 5.958 3.248 -3.523 618 1HA GLY 81 1HA GLY 81 7.695 4.570 -4.242 619 2HA GLY 81 2HA GLY 81 6.493 5.709 -4.827 620 H GLY 82 H GLY 82 9.081 5.512 -2.905 621 1HA GLY 82 1HA GLY 82 9.276 7.879 -1.821 622 2HA GLY 82 2HA GLY 82 8.018 7.232 -0.780 623 H GLU 83 H GLU 83 10.128 8.040 0.523 624 HA GLU 83 HA GLU 83 12.276 6.225 0.767 625 1HB GLU 83 1HB GLU 83 12.783 7.412 2.853 626 2HB GLU 83 2HB GLU 83 12.424 8.536 1.550 627 1HG GLU 83 1HG GLU 83 10.220 8.930 2.427 628 2HG GLU 83 2HG GLU 83 10.451 7.691 3.660 629 H ARG 84 H ARG 84 9.067 6.262 2.077 630 HA ARG 84 HA ARG 84 9.464 4.620 4.310 631 1HB ARG 84 1HB ARG 84 7.065 4.217 4.281 632 2HB ARG 84 2HB ARG 84 7.410 5.911 3.981 633 1HG ARG 84 1HG ARG 84 6.845 3.967 1.759 634 2HG ARG 84 2HG ARG 84 5.571 4.845 2.603 635 1HD ARG 84 1HD ARG 84 7.831 5.994 0.974 636 2HD ARG 84 2HD ARG 84 6.105 6.056 0.619 637 HE ARG 84 HE ARG 84 6.776 7.290 3.114 638 1HH1 ARG 84 1HH1 ARG 84 6.591 7.779 -0.332 639 2HH1 ARG 84 2HH1 ARG 84 6.433 9.498 -0.208 640 1HH2 ARG 84 1HH2 ARG 84 6.565 9.552 3.284 641 2HH2 ARG 84 2HH2 ARG 84 6.419 10.506 1.845 642 H VAL 85 H VAL 85 8.356 3.698 1.043 643 HA VAL 85 HA VAL 85 8.420 0.910 1.623 644 HB VAL 85 HB VAL 85 8.348 0.701 -0.929 645 1HG1 VAL 85 1HG1 VAL 85 5.991 1.372 -1.001 646 2HG1 VAL 85 2HG1 VAL 85 6.202 2.265 0.505 647 3HG1 VAL 85 3HG1 VAL 85 6.379 0.510 0.487 648 1HG2 VAL 85 1HG2 VAL 85 8.011 3.689 -0.657 649 2HG2 VAL 85 2HG2 VAL 85 7.678 2.755 -2.116 650 3HG2 VAL 85 3HG2 VAL 85 9.323 2.849 -1.487 651 H ARG 86 H ARG 86 10.788 3.211 0.637 652 HA ARG 86 HA ARG 86 12.614 1.563 -0.696 653 1HB ARG 86 1HB ARG 86 12.896 3.949 -0.736 654 2HB ARG 86 2HB ARG 86 13.067 4.010 1.013 655 1HG ARG 86 1HG ARG 86 15.173 2.830 0.886 656 2HG ARG 86 2HG ARG 86 14.987 2.643 -0.857 657 1HD ARG 86 1HD ARG 86 15.152 5.012 -1.190 658 2HD ARG 86 2HD ARG 86 15.127 5.304 0.549 659 HE ARG 86 HE ARG 86 17.290 3.693 0.177 660 1HH1 ARG 86 1HH1 ARG 86 16.250 6.729 -1.181 661 2HH1 ARG 86 2HH1 ARG 86 17.860 7.311 -1.439 662 1HH2 ARG 86 1HH2 ARG 86 19.411 4.451 -0.156 663 2HH2 ARG 86 2HH2 ARG 86 19.659 6.016 -0.857 664 H ALA 87 H ALA 87 12.168 2.198 2.748 665 HA ALA 87 HA ALA 87 14.431 0.891 3.727 666 1HB ALA 87 1HB ALA 87 13.234 0.751 5.848 667 2HB ALA 87 2HB ALA 87 11.722 1.138 5.028 668 3HB ALA 87 3HB ALA 87 13.015 2.334 5.102 669 H ALA 88 H ALA 88 11.323 -0.332 2.674 670 HA ALA 88 HA ALA 88 11.592 -2.950 3.722 671 1HB ALA 88 1HB ALA 88 10.003 -2.122 1.297 672 2HB ALA 88 2HB ALA 88 9.449 -1.924 2.960 673 3HB ALA 88 3HB ALA 88 9.744 -3.539 2.316 674 H MET 89 H MET 89 12.627 -1.395 0.755 675 HA MET 89 HA MET 89 13.371 -3.767 -0.624 676 1HB MET 89 1HB MET 89 14.752 -1.151 -1.087 677 2HB MET 89 2HB MET 89 14.303 -2.382 -2.247 678 1HG MET 89 1HG MET 89 12.634 -0.256 -1.015 679 2HG MET 89 2HG MET 89 12.863 -0.673 -2.715 680 1HE MET 89 1HE MET 89 10.495 -3.542 -3.384 681 2HE MET 89 2HE MET 89 12.187 -3.806 -2.968 682 3HE MET 89 3HE MET 89 11.730 -2.428 -3.971 683 H GLU 90 H GLU 90 15.291 -1.284 1.034 684 HA GLU 90 HA GLU 90 17.766 -2.516 0.887 685 1HB GLU 90 1HB GLU 90 16.751 -0.877 3.215 686 2HB GLU 90 2HB GLU 90 18.432 -1.131 2.766 687 1HG GLU 90 1HG GLU 90 17.937 0.014 0.599 688 2HG GLU 90 2HG GLU 90 16.349 0.417 1.251 689 H LYS 91 H LYS 91 15.094 -3.098 3.082 690 HA LYS 91 HA LYS 91 16.600 -4.872 4.782 691 1HB LYS 91 1HB LYS 91 13.678 -4.174 4.566 692 2HB LYS 91 2HB LYS 91 14.242 -5.454 5.632 693 1HG LYS 91 1HG LYS 91 15.283 -2.637 5.768 694 2HG LYS 91 2HG LYS 91 13.890 -3.200 6.693 695 1HD LYS 91 1HD LYS 91 16.580 -4.547 6.808 696 2HD LYS 91 2HD LYS 91 16.119 -3.235 7.894 697 1HE LYS 91 1HE LYS 91 14.178 -4.572 8.632 698 2HE LYS 91 2HE LYS 91 14.721 -5.893 7.597 699 1HZ LYS 91 1HZ LYS 91 15.408 -6.199 9.902 700 2HZ LYS 91 2HZ LYS 91 16.265 -4.741 9.859 701 3HZ LYS 91 3HZ LYS 91 16.750 -6.035 8.885 702 H LEU 92 H LEU 92 14.826 -5.148 1.830 703 HA LEU 92 HA LEU 92 14.477 -8.009 2.091 704 1HB LEU 92 1HB LEU 92 12.689 -7.227 0.935 705 2HB LEU 92 2HB LEU 92 13.574 -5.869 0.270 706 HG LEU 92 HG LEU 92 14.662 -7.445 -1.320 707 1HD1 LEU 92 1HD1 LEU 92 14.256 -9.503 0.006 708 2HD1 LEU 92 2HD1 LEU 92 13.717 -9.637 -1.668 709 3HD1 LEU 92 3HD1 LEU 92 12.540 -9.373 -0.380 710 1HD2 LEU 92 1HD2 LEU 92 12.964 -6.174 -2.263 711 2HD2 LEU 92 2HD2 LEU 92 11.714 -6.951 -1.302 712 3HD2 LEU 92 3HD2 LEU 92 12.467 -7.823 -2.633 713 H ALA 93 H ALA 93 16.642 -5.732 0.570 714 HA ALA 93 HA ALA 93 17.859 -7.367 -1.331 715 1HB ALA 93 1HB ALA 93 19.127 -5.139 0.256 716 2HB ALA 93 2HB ALA 93 18.182 -4.941 -1.219 717 3HB ALA 93 3HB ALA 93 19.718 -5.804 -1.265 718 H GLU 94 H GLU 94 18.350 -7.142 2.138 719 HA GLU 94 HA GLU 94 20.746 -8.750 2.096 720 1HB GLU 94 1HB GLU 94 20.570 -8.684 4.550 721 2HB GLU 94 2HB GLU 94 20.460 -7.078 3.844 722 1HG GLU 94 1HG GLU 94 18.006 -7.183 4.072 723 2HG GLU 94 2HG GLU 94 18.175 -8.746 4.871 724 H THR 95 H THR 95 17.370 -9.269 2.167 725 HA THR 95 HA THR 95 17.782 -12.136 2.729 726 HB THR 95 HB THR 95 15.380 -12.195 3.406 727 HG1 THR 95 HG1 THR 95 14.222 -10.353 3.517 728 1HG2 THR 95 1HG2 THR 95 17.072 -12.076 5.131 729 2HG2 THR 95 2HG2 THR 95 15.702 -11.068 5.596 730 3HG2 THR 95 3HG2 THR 95 17.171 -10.323 4.963 731 H GLY 96 H GLY 96 18.038 -10.663 0.226 732 1HA GLY 96 1HA GLY 96 15.865 -10.761 -1.467 733 2HA GLY 96 2HA GLY 96 17.531 -10.960 -1.982 734 H THR 97 H THR 97 14.590 -12.306 -2.111 735 HA THR 97 HA THR 97 15.705 -14.934 -2.760 736 HB THR 97 HB THR 97 14.811 -15.268 -0.540 737 HG1 THR 97 HG1 THR 97 14.132 -17.088 -1.364 738 1HG2 THR 97 1HG2 THR 97 12.261 -14.069 -1.624 739 2HG2 THR 97 2HG2 THR 97 13.302 -13.388 -0.373 740 3HG2 THR 97 3HG2 THR 97 12.410 -14.878 -0.064 741 H GLY 98 H GLY 98 14.957 -15.697 -4.656 742 1HA GLY 98 1HA GLY 98 13.634 -15.938 -6.530 743 2HA GLY 98 2HA GLY 98 12.332 -15.160 -5.641 744 H PHE 99 H PHE 99 11.598 -13.616 -6.997 745 HA PHE 99 HA PHE 99 13.518 -11.959 -8.446 746 1HB PHE 99 1HB PHE 99 11.813 -11.392 -9.902 747 2HB PHE 99 2HB PHE 99 11.307 -13.002 -9.408 748 HD1 PHE 99 HD1 PHE 99 10.273 -9.706 -9.871 749 HD2 PHE 99 HD2 PHE 99 9.723 -13.040 -7.284 750 HE1 PHE 99 HE1 PHE 99 8.109 -8.785 -9.152 751 HE2 PHE 99 HE2 PHE 99 7.557 -12.126 -6.562 752 HZ PHE 99 HZ PHE 99 6.747 -9.995 -7.497 753 H ALA 100 H ALA 100 11.787 -11.931 -5.564 754 HA ALA 100 HA ALA 100 10.997 -9.301 -5.201 755 1HB ALA 100 1HB ALA 100 12.139 -11.264 -3.223 756 2HB ALA 100 2HB ALA 100 10.438 -10.950 -3.570 757 3HB ALA 100 3HB ALA 100 11.419 -9.720 -2.771 758 H ARG 101 H ARG 101 14.185 -10.763 -4.809 759 HA ARG 101 HA ARG 101 15.529 -8.567 -3.708 760 1HB ARG 101 1HB ARG 101 16.412 -10.879 -3.832 761 2HB ARG 101 2HB ARG 101 16.603 -10.673 -5.567 762 1HG ARG 101 1HG ARG 101 18.258 -8.959 -5.239 763 2HG ARG 101 2HG ARG 101 17.996 -8.995 -3.494 764 1HD ARG 101 1HD ARG 101 18.820 -11.269 -3.385 765 2HD ARG 101 2HD ARG 101 18.996 -11.317 -5.139 766 HE ARG 101 HE ARG 101 20.501 -9.276 -3.702 767 1HH1 ARG 101 1HH1 ARG 101 20.474 -12.369 -5.309 768 2HH1 ARG 101 2HH1 ARG 101 22.191 -12.414 -5.529 769 1HH2 ARG 101 1HH2 ARG 101 22.763 -9.328 -3.988 770 2HH2 ARG 101 2HH2 ARG 101 23.493 -10.685 -4.778 771 H LYS 102 H LYS 102 15.454 -9.661 -7.097 772 HA LYS 102 HA LYS 102 16.875 -7.647 -8.302 773 1HB LYS 102 1HB LYS 102 16.092 -9.600 -9.516 774 2HB LYS 102 2HB LYS 102 14.420 -9.089 -9.327 775 1HG LYS 102 1HG LYS 102 15.057 -7.017 -10.646 776 2HG LYS 102 2HG LYS 102 16.562 -7.853 -11.030 777 1HD LYS 102 1HD LYS 102 13.804 -8.933 -11.596 778 2HD LYS 102 2HD LYS 102 14.820 -8.104 -12.778 779 1HE LYS 102 1HE LYS 102 16.563 -9.850 -12.382 780 2HE LYS 102 2HE LYS 102 15.398 -10.710 -11.378 781 1HZ LYS 102 1HZ LYS 102 15.424 -11.588 -13.619 782 2HZ LYS 102 2HZ LYS 102 15.067 -10.064 -14.258 783 3HZ LYS 102 3HZ LYS 102 13.928 -10.866 -13.299 784 H VAL 103 H VAL 103 13.774 -7.494 -6.856 785 HA VAL 103 HA VAL 103 12.873 -5.117 -8.174 786 HB VAL 103 HB VAL 103 11.906 -6.661 -5.784 787 1HG1 VAL 103 1HG1 VAL 103 11.383 -4.328 -5.356 788 2HG1 VAL 103 2HG1 VAL 103 9.912 -5.198 -5.789 789 3HG1 VAL 103 3HG1 VAL 103 10.701 -4.157 -6.973 790 1HG2 VAL 103 1HG2 VAL 103 10.125 -7.347 -7.189 791 2HG2 VAL 103 2HG2 VAL 103 11.609 -7.547 -8.119 792 3HG2 VAL 103 3HG2 VAL 103 10.555 -6.168 -8.427 793 H ALA 104 H ALA 104 13.909 -5.810 -4.815 794 HA ALA 104 HA ALA 104 13.833 -3.240 -3.804 795 1HB ALA 104 1HB ALA 104 15.567 -4.034 -2.190 796 2HB ALA 104 2HB ALA 104 15.688 -5.516 -3.139 797 3HB ALA 104 3HB ALA 104 14.170 -5.095 -2.348 798 H VAL 105 H VAL 105 16.400 -4.813 -5.575 799 HA VAL 105 HA VAL 105 18.397 -2.859 -5.201 800 HB VAL 105 HB VAL 105 18.108 -4.877 -7.427 801 1HG1 VAL 105 1HG1 VAL 105 20.617 -4.590 -7.559 802 2HG1 VAL 105 2HG1 VAL 105 20.412 -3.133 -6.587 803 3HG1 VAL 105 3HG1 VAL 105 19.652 -3.249 -8.174 804 1HG2 VAL 105 1HG2 VAL 105 18.174 -5.949 -5.268 805 2HG2 VAL 105 2HG2 VAL 105 19.577 -4.990 -4.795 806 3HG2 VAL 105 3HG2 VAL 105 19.720 -6.188 -6.083 807 H ASN 106 H ASN 106 16.481 -3.540 -8.135 808 HA ASN 106 HA ASN 106 17.380 -1.251 -9.516 809 1HB ASN 106 1HB ASN 106 14.911 -2.939 -9.954 810 2HB ASN 106 2HB ASN 106 15.528 -1.743 -11.089 811 1HD2 ASN 106 1HD2 ASN 106 15.834 -3.280 -12.690 812 2HD2 ASN 106 2HD2 ASN 106 17.118 -4.434 -12.624 813 H TYR 107 H TYR 107 14.355 -1.856 -7.725 814 HA TYR 107 HA TYR 107 13.104 0.550 -8.349 815 1HB TYR 107 1HB TYR 107 11.843 -1.283 -7.500 816 2HB TYR 107 2HB TYR 107 12.827 -1.366 -6.046 817 HD1 TYR 107 HD1 TYR 107 12.139 -0.366 -4.161 818 HD2 TYR 107 HD2 TYR 107 10.540 0.967 -7.848 819 HE1 TYR 107 HE1 TYR 107 10.597 1.122 -2.940 820 HE2 TYR 107 HE2 TYR 107 8.993 2.458 -6.662 821 HH TYR 107 HH TYR 107 7.966 2.670 -4.464 822 H LEU 108 H LEU 108 15.666 -0.164 -6.158 823 HA LEU 108 HA LEU 108 15.334 1.858 -4.256 824 1HB LEU 108 1HB LEU 108 17.506 0.122 -5.173 825 2HB LEU 108 2HB LEU 108 18.056 1.649 -4.517 826 HG LEU 108 HG LEU 108 16.194 -0.201 -3.035 827 1HD1 LEU 108 1HD1 LEU 108 19.188 0.036 -2.770 828 2HD1 LEU 108 2HD1 LEU 108 18.330 -1.326 -3.493 829 3HD1 LEU 108 3HD1 LEU 108 18.122 -0.961 -1.779 830 1HD2 LEU 108 1HD2 LEU 108 16.118 2.098 -2.287 831 2HD2 LEU 108 2HD2 LEU 108 17.878 2.148 -2.176 832 3HD2 LEU 108 3HD2 LEU 108 16.955 1.109 -1.091 833 H GLU 109 H GLU 109 16.238 2.065 -7.565 834 HA GLU 109 HA GLU 109 17.691 4.517 -7.405 835 1HB GLU 109 1HB GLU 109 16.349 3.139 -9.732 836 2HB GLU 109 2HB GLU 109 17.351 4.575 -9.883 837 1HG GLU 109 1HG GLU 109 18.255 1.907 -8.825 838 2HG GLU 109 2HG GLU 109 18.581 2.545 -10.436 839 H THR 110 H THR 110 14.441 3.807 -7.041 840 HA THR 110 HA THR 110 13.716 6.602 -7.612 841 HB THR 110 HB THR 110 11.436 5.836 -8.218 842 HG1 THR 110 HG1 THR 110 10.927 3.760 -8.168 843 1HG2 THR 110 1HG2 THR 110 13.640 4.630 -9.899 844 2HG2 THR 110 2HG2 THR 110 13.083 6.302 -9.974 845 3HG2 THR 110 3HG2 THR 110 12.003 4.991 -10.447 846 H HIS 111 H HIS 111 14.522 5.093 -5.138 847 HA HIS 111 HA HIS 111 14.012 5.110 -2.926 848 1HB HIS 111 1HB HIS 111 11.813 7.024 -3.740 849 2HB HIS 111 2HB HIS 111 12.403 6.766 -2.101 850 HD1 HIS 111 HD1 HIS 111 13.887 7.819 -5.450 851 HD2 HIS 111 HD2 HIS 111 14.245 8.603 -1.386 852 HE1 HIS 111 HE1 HIS 111 15.605 9.645 -5.267 853 HE2 HIS 111 HE2 HIS 111 15.864 10.049 -2.792 Start of MODEL 30 1 H MET 1 H MET 1 -10.687 11.240 13.278 2 HA MET 1 HA MET 1 -8.844 9.269 14.500 3 1HB MET 1 1HB MET 1 -8.082 10.327 12.350 4 2HB MET 1 2HB MET 1 -8.208 11.893 13.138 5 1HG MET 1 1HG MET 1 -6.532 11.219 14.771 6 2HG MET 1 2HG MET 1 -6.413 9.638 14.002 7 1HE MET 1 1HE MET 1 -3.002 11.229 13.006 8 2HE MET 1 2HE MET 1 -3.817 9.850 13.744 9 3HE MET 1 3HE MET 1 -3.850 11.423 14.540 10 H ALA 2 H ALA 2 -10.889 11.936 14.910 11 HA ALA 2 HA ALA 2 -9.519 13.392 16.899 12 1HB ALA 2 1HB ALA 2 -11.387 14.361 15.728 13 2HB ALA 2 2HB ALA 2 -11.751 14.308 17.453 14 3HB ALA 2 3HB ALA 2 -12.473 13.125 16.363 15 H ASP 3 H ASP 3 -11.217 10.386 16.997 16 HA ASP 3 HA ASP 3 -10.901 10.339 19.925 17 1HB ASP 3 1HB ASP 3 -13.306 10.533 19.121 18 2HB ASP 3 2HB ASP 3 -13.118 8.917 18.449 19 H GLU 4 H GLU 4 -8.865 9.496 18.388 20 HA GLU 4 HA GLU 4 -7.440 7.771 18.024 21 1HB GLU 4 1HB GLU 4 -9.261 6.201 19.855 22 2HB GLU 4 2HB GLU 4 -7.587 5.828 19.465 23 1HG GLU 4 1HG GLU 4 -8.591 8.201 21.019 24 2HG GLU 4 2HG GLU 4 -7.712 6.811 21.653 25 H ASN 5 H ASN 5 -10.194 5.614 18.486 26 HA ASN 5 HA ASN 5 -10.442 5.222 15.606 27 1HB ASN 5 1HB ASN 5 -8.719 3.613 16.279 28 2HB ASN 5 2HB ASN 5 -9.790 2.970 17.521 29 1HD2 ASN 5 1HD2 ASN 5 -10.901 3.952 14.363 30 2HD2 ASN 5 2HD2 ASN 5 -11.274 2.367 13.787 31 H LYS 6 H LYS 6 -12.546 5.500 15.264 32 HA LYS 6 HA LYS 6 -14.439 4.011 16.932 33 1HB LYS 6 1HB LYS 6 -14.717 6.929 16.195 34 2HB LYS 6 2HB LYS 6 -15.976 5.960 16.948 35 1HG LYS 6 1HG LYS 6 -13.280 6.529 18.163 36 2HG LYS 6 2HG LYS 6 -14.768 7.395 18.543 37 1HD LYS 6 1HD LYS 6 -14.371 4.426 18.912 38 2HD LYS 6 2HD LYS 6 -14.191 5.625 20.192 39 1HE LYS 6 1HE LYS 6 -16.543 6.317 19.799 40 2HE LYS 6 2HE LYS 6 -16.696 5.005 18.632 41 1HZ LYS 6 1HZ LYS 6 -16.194 3.430 20.403 42 2HZ LYS 6 2HZ LYS 6 -17.557 4.356 20.785 43 3HZ LYS 6 3HZ LYS 6 -16.072 4.695 21.520 44 H TRP 7 H TRP 7 -13.238 4.258 14.017 45 HA TRP 7 HA TRP 7 -15.574 3.209 12.741 46 1HB TRP 7 1HB TRP 7 -15.210 5.050 10.835 47 2HB TRP 7 2HB TRP 7 -16.356 5.265 12.153 48 HD1 TRP 7 HD1 TRP 7 -12.592 6.097 11.584 49 HE1 TRP 7 HE1 TRP 7 -12.154 8.436 12.563 50 HE3 TRP 7 HE3 TRP 7 -17.265 7.108 13.388 51 HZ2 TRP 7 HZ2 TRP 7 -13.598 10.443 13.923 52 HZ3 TRP 7 HZ3 TRP 7 -17.654 9.259 14.517 53 HH2 TRP 7 HH2 TRP 7 -15.857 10.891 14.779 54 H VAL 8 H VAL 8 -14.633 1.475 11.907 55 HA VAL 8 HA VAL 8 -12.852 1.687 9.711 56 HB VAL 8 HB VAL 8 -11.294 2.068 11.668 57 1HG1 VAL 8 1HG1 VAL 8 -12.392 0.425 13.171 58 2HG1 VAL 8 2HG1 VAL 8 -10.645 0.220 13.044 59 3HG1 VAL 8 3HG1 VAL 8 -11.726 -0.869 12.175 60 1HG2 VAL 8 1HG2 VAL 8 -9.555 0.531 10.802 61 2HG2 VAL 8 2HG2 VAL 8 -10.418 1.396 9.531 62 3HG2 VAL 8 3HG2 VAL 8 -10.797 -0.294 9.861 63 H ARG 9 H ARG 9 -15.340 0.350 10.904 64 HA ARG 9 HA ARG 9 -15.091 -2.107 9.468 65 1HB ARG 9 1HB ARG 9 -14.015 -2.854 11.501 66 2HB ARG 9 2HB ARG 9 -15.315 -2.193 12.481 67 1HG ARG 9 1HG ARG 9 -16.861 -3.816 11.360 68 2HG ARG 9 2HG ARG 9 -15.438 -4.554 10.623 69 1HD ARG 9 1HD ARG 9 -16.056 -5.775 12.617 70 2HD ARG 9 2HD ARG 9 -14.515 -4.957 12.870 71 HE ARG 9 HE ARG 9 -16.552 -3.283 13.796 72 1HH1 ARG 9 1HH1 ARG 9 -15.103 -6.356 14.571 73 2HH1 ARG 9 2HH1 ARG 9 -15.450 -6.239 16.264 74 1HH2 ARG 9 1HH2 ARG 9 -17.013 -3.121 16.025 75 2HH2 ARG 9 2HH2 ARG 9 -16.535 -4.402 17.090 76 H ARG 10 H ARG 10 -16.898 -0.001 11.587 77 HA ARG 10 HA ARG 10 -19.401 -1.112 11.586 78 1HB ARG 10 1HB ARG 10 -18.674 1.804 11.255 79 2HB ARG 10 2HB ARG 10 -20.280 1.220 11.667 80 1HG ARG 10 1HG ARG 10 -17.855 0.623 13.338 81 2HG ARG 10 2HG ARG 10 -18.859 2.054 13.577 82 1HD ARG 10 1HD ARG 10 -19.654 0.443 15.107 83 2HD ARG 10 2HD ARG 10 -20.826 0.479 13.790 84 HE ARG 10 HE ARG 10 -18.947 -1.514 13.234 85 1HH1 ARG 10 1HH1 ARG 10 -21.470 -0.826 15.537 86 2HH1 ARG 10 2HH1 ARG 10 -21.831 -2.494 15.831 87 1HH2 ARG 10 1HH2 ARG 10 -19.416 -3.711 13.617 88 2HH2 ARG 10 2HH2 ARG 10 -20.663 -4.134 14.742 89 H ASP 11 H ASP 11 -20.607 -1.871 10.005 90 HA ASP 11 HA ASP 11 -21.836 -1.958 8.081 91 1HB ASP 11 1HB ASP 11 -21.914 0.570 8.282 92 2HB ASP 11 2HB ASP 11 -20.527 0.610 7.197 93 H VAL 12 H VAL 12 -18.452 -1.018 7.810 94 HA VAL 12 HA VAL 12 -18.021 -1.932 5.183 95 HB VAL 12 HB VAL 12 -16.069 -1.656 7.471 96 1HG1 VAL 12 1HG1 VAL 12 -15.616 -2.158 4.537 97 2HG1 VAL 12 2HG1 VAL 12 -15.074 -3.137 5.902 98 3HG1 VAL 12 3HG1 VAL 12 -14.368 -1.546 5.620 99 1HG2 VAL 12 1HG2 VAL 12 -17.126 0.442 6.883 100 2HG2 VAL 12 2HG2 VAL 12 -16.761 0.178 5.178 101 3HG2 VAL 12 3HG2 VAL 12 -15.451 0.443 6.328 102 H SER 13 H SER 13 -17.538 -3.864 4.342 103 HA SER 13 HA SER 13 -16.665 -6.087 5.941 104 1HB SER 13 1HB SER 13 -19.091 -6.146 6.380 105 2HB SER 13 2HB SER 13 -19.403 -6.204 4.646 106 HG SER 13 HG SER 13 -17.670 -8.123 5.645 107 H THR 14 H THR 14 -18.209 -5.213 2.856 108 HA THR 14 HA THR 14 -16.031 -6.614 1.461 109 HB THR 14 HB THR 14 -18.025 -8.036 1.341 110 HG1 THR 14 HG1 THR 14 -18.174 -7.995 -1.044 111 1HG2 THR 14 1HG2 THR 14 -19.743 -6.316 1.591 112 2HG2 THR 14 2HG2 THR 14 -20.025 -7.275 0.138 113 3HG2 THR 14 3HG2 THR 14 -19.330 -5.660 0.007 114 H ALA 15 H ALA 15 -16.868 -3.749 2.156 115 HA ALA 15 HA ALA 15 -17.217 -2.564 -0.474 116 1HB ALA 15 1HB ALA 15 -18.446 -1.660 1.450 117 2HB ALA 15 2HB ALA 15 -17.398 -0.451 0.708 118 3HB ALA 15 3HB ALA 15 -16.917 -1.231 2.215 119 H LEU 16 H LEU 16 -14.671 -3.766 1.185 120 HA LEU 16 HA LEU 16 -12.638 -1.935 1.207 121 1HB LEU 16 1HB LEU 16 -11.090 -3.757 1.048 122 2HB LEU 16 2HB LEU 16 -12.458 -4.253 2.019 123 HG LEU 16 HG LEU 16 -11.995 -6.135 0.743 124 1HD1 LEU 16 1HD1 LEU 16 -13.824 -6.475 -0.745 125 2HD1 LEU 16 2HD1 LEU 16 -14.024 -4.739 -0.981 126 3HD1 LEU 16 3HD1 LEU 16 -14.378 -5.461 0.589 127 1HD2 LEU 16 1HD2 LEU 16 -11.740 -4.483 -1.759 128 2HD2 LEU 16 2HD2 LEU 16 -11.359 -6.192 -1.547 129 3HD2 LEU 16 3HD2 LEU 16 -10.375 -4.964 -0.751 130 H SER 17 H SER 17 -14.266 -3.126 -1.551 131 HA SER 17 HA SER 17 -12.436 -3.076 -3.580 132 1HB SER 17 1HB SER 17 -14.275 -2.418 -5.071 133 2HB SER 17 2HB SER 17 -14.805 -3.632 -3.906 134 HG SER 17 HG SER 17 -15.348 -0.862 -3.941 135 H ARG 18 H ARG 18 -13.925 -0.292 -2.004 136 HA ARG 18 HA ARG 18 -11.778 1.418 -2.557 137 1HB ARG 18 1HB ARG 18 -12.586 1.194 -4.881 138 2HB ARG 18 2HB ARG 18 -14.155 1.808 -4.383 139 1HG ARG 18 1HG ARG 18 -13.020 3.595 -5.392 140 2HG ARG 18 2HG ARG 18 -12.982 3.900 -3.656 141 1HD ARG 18 1HD ARG 18 -10.705 3.068 -3.537 142 2HD ARG 18 2HD ARG 18 -10.741 2.671 -5.255 143 HE ARG 18 HE ARG 18 -11.100 5.452 -4.377 144 1HH1 ARG 18 1HH1 ARG 18 -9.290 3.031 -6.114 145 2HH1 ARG 18 2HH1 ARG 18 -8.289 4.184 -6.933 146 1HH2 ARG 18 1HH2 ARG 18 -9.791 6.973 -5.453 147 2HH2 ARG 18 2HH2 ARG 18 -8.574 6.424 -6.557 148 H MET 19 H MET 19 -12.189 1.921 -0.365 149 HA MET 19 HA MET 19 -14.414 3.806 0.000 150 1HB MET 19 1HB MET 19 -13.622 1.592 1.893 151 2HB MET 19 2HB MET 19 -14.675 2.927 2.340 152 1HG MET 19 1HG MET 19 -15.520 1.580 -0.094 153 2HG MET 19 2HG MET 19 -15.465 0.514 1.308 154 1HE MET 19 1HE MET 19 -17.090 3.797 -0.221 155 2HE MET 19 2HE MET 19 -16.151 4.356 1.162 156 3HE MET 19 3HE MET 19 -17.913 4.428 1.205 157 H GLY 20 H GLY 20 -11.307 2.625 1.259 158 1HA GLY 20 1HA GLY 20 -9.718 4.662 1.388 159 2HA GLY 20 2HA GLY 20 -10.899 5.237 2.554 160 H ASP 21 H ASP 21 -9.868 5.162 4.460 161 HA ASP 21 HA ASP 21 -8.095 2.970 5.122 162 1HB ASP 21 1HB ASP 21 -8.995 5.255 6.887 163 2HB ASP 21 2HB ASP 21 -7.608 4.201 7.143 164 H GLU 22 H GLU 22 -11.354 3.969 5.789 165 HA GLU 22 HA GLU 22 -11.875 2.523 8.120 166 1HB GLU 22 1HB GLU 22 -14.248 2.624 7.423 167 2HB GLU 22 2HB GLU 22 -13.433 4.176 7.283 168 1HG GLU 22 1HG GLU 22 -13.182 3.840 4.883 169 2HG GLU 22 2HG GLU 22 -13.979 2.273 5.015 170 H ALA 23 H ALA 23 -11.687 1.504 4.785 171 HA ALA 23 HA ALA 23 -12.557 -1.196 5.547 172 1HB ALA 23 1HB ALA 23 -12.260 -0.016 2.790 173 2HB ALA 23 2HB ALA 23 -13.770 -0.144 3.691 174 3HB ALA 23 3HB ALA 23 -12.919 -1.604 3.186 175 H PHE 24 H PHE 24 -9.755 0.402 5.486 176 HA PHE 24 HA PHE 24 -8.070 -1.148 3.873 177 1HB PHE 24 1HB PHE 24 -7.562 1.091 4.984 178 2HB PHE 24 2HB PHE 24 -7.164 0.146 6.422 179 HD1 PHE 24 HD1 PHE 24 -4.946 -0.333 6.702 180 HD2 PHE 24 HD2 PHE 24 -6.507 -0.020 2.764 181 HE1 PHE 24 HE1 PHE 24 -2.722 -0.825 5.781 182 HE2 PHE 24 HE2 PHE 24 -4.292 -0.506 1.838 183 HZ PHE 24 HZ PHE 24 -2.392 -0.914 3.344 184 H GLU 25 H GLU 25 -8.926 -1.524 7.304 185 HA GLU 25 HA GLU 25 -7.159 -3.552 7.952 186 1HB GLU 25 1HB GLU 25 -9.613 -2.494 9.058 187 2HB GLU 25 2HB GLU 25 -9.497 -4.234 9.277 188 1HG GLU 25 1HG GLU 25 -7.239 -3.892 10.268 189 2HG GLU 25 2HG GLU 25 -7.527 -2.155 10.188 190 HA PRO 26 HA PRO 26 -10.815 -6.763 6.660 191 1HB PRO 26 1HB PRO 26 -11.469 -5.116 4.247 192 2HB PRO 26 2HB PRO 26 -12.495 -6.236 5.153 193 1HG PRO 26 1HG PRO 26 -12.714 -3.599 5.490 194 2HG PRO 26 2HG PRO 26 -12.879 -4.717 6.856 195 1HD PRO 26 1HD PRO 26 -10.664 -2.871 6.187 196 2HD PRO 26 2HD PRO 26 -11.170 -3.504 7.762 197 H LEU 27 H LEU 27 -8.485 -4.937 4.893 198 HA LEU 27 HA LEU 27 -8.048 -6.888 2.824 199 1HB LEU 27 1HB LEU 27 -6.767 -4.332 3.692 200 2HB LEU 27 2HB LEU 27 -5.932 -5.379 2.553 201 HG LEU 27 HG LEU 27 -8.716 -4.307 2.092 202 1HD1 LEU 27 1HD1 LEU 27 -7.139 -2.453 2.234 203 2HD1 LEU 27 2HD1 LEU 27 -7.689 -2.694 0.577 204 3HD1 LEU 27 3HD1 LEU 27 -6.087 -3.248 1.063 205 1HD2 LEU 27 1HD2 LEU 27 -8.298 -4.964 -0.218 206 2HD2 LEU 27 2HD2 LEU 27 -8.152 -6.348 0.866 207 3HD2 LEU 27 3HD2 LEU 27 -6.703 -5.567 0.232 208 H LEU 28 H LEU 28 -6.072 -5.618 5.498 209 HA LEU 28 HA LEU 28 -4.119 -7.653 5.347 210 1HB LEU 28 1HB LEU 28 -3.212 -6.729 7.319 211 2HB LEU 28 2HB LEU 28 -3.867 -5.380 6.417 212 HG LEU 28 HG LEU 28 -5.975 -5.982 8.020 213 1HD1 LEU 28 1HD1 LEU 28 -3.494 -6.503 9.651 214 2HD1 LEU 28 2HD1 LEU 28 -4.694 -7.713 9.196 215 3HD1 LEU 28 3HD1 LEU 28 -5.144 -6.384 10.264 216 1HD2 LEU 28 1HD2 LEU 28 -5.222 -4.078 9.399 217 2HD2 LEU 28 2HD2 LEU 28 -5.081 -3.767 7.668 218 3HD2 LEU 28 3HD2 LEU 28 -3.646 -4.162 8.613 219 H GLU 29 H GLU 29 -7.277 -7.588 6.557 220 HA GLU 29 HA GLU 29 -7.050 -9.540 8.604 221 1HB GLU 29 1HB GLU 29 -8.978 -8.036 8.456 222 2HB GLU 29 2HB GLU 29 -9.425 -8.737 6.907 223 1HG GLU 29 1HG GLU 29 -9.887 -10.862 7.969 224 2HG GLU 29 2HG GLU 29 -9.361 -10.221 9.526 225 H SER 30 H SER 30 -7.401 -9.623 5.142 226 HA SER 30 HA SER 30 -8.165 -12.329 4.856 227 1HB SER 30 1HB SER 30 -8.499 -10.879 2.991 228 2HB SER 30 2HB SER 30 -6.804 -10.392 2.978 229 HG SER 30 HG SER 30 -8.015 -12.624 1.916 230 H LEU 31 H LEU 31 -5.209 -10.891 5.749 231 HA LEU 31 HA LEU 31 -3.359 -12.722 4.687 232 1HB LEU 31 1HB LEU 31 -3.177 -11.175 7.274 233 2HB LEU 31 2HB LEU 31 -1.835 -11.921 6.427 234 HG LEU 31 HG LEU 31 -3.517 -9.703 5.263 235 1HD1 LEU 31 1HD1 LEU 31 -2.351 -8.924 7.263 236 2HD1 LEU 31 2HD1 LEU 31 -1.663 -8.218 5.801 237 3HD1 LEU 31 3HD1 LEU 31 -0.829 -9.539 6.619 238 1HD2 LEU 31 1HD2 LEU 31 -1.794 -9.528 3.613 239 2HD2 LEU 31 2HD2 LEU 31 -2.314 -11.211 3.679 240 3HD2 LEU 31 3HD2 LEU 31 -0.803 -10.725 4.446 241 H SER 32 H SER 32 -5.822 -13.279 6.845 242 HA SER 32 HA SER 32 -4.426 -15.612 7.993 243 1HB SER 32 1HB SER 32 -6.708 -14.057 9.236 244 2HB SER 32 2HB SER 32 -5.874 -15.436 9.953 245 HG SER 32 HG SER 32 -4.386 -13.198 9.155 246 H ASN 33 H ASN 33 -6.057 -15.281 5.481 247 HA ASN 33 HA ASN 33 -8.411 -16.898 6.040 248 1HB ASN 33 1HB ASN 33 -9.013 -16.519 3.723 249 2HB ASN 33 2HB ASN 33 -8.547 -14.990 4.463 250 1HD2 ASN 33 1HD2 ASN 33 -8.584 -15.098 1.808 251 2HD2 ASN 33 2HD2 ASN 33 -6.984 -15.125 1.157 252 H GLU 34 H GLU 34 -8.820 -18.922 5.080 253 HA GLU 34 HA GLU 34 -6.613 -20.687 5.028 254 1HB GLU 34 1HB GLU 34 -9.400 -21.171 3.960 255 2HB GLU 34 2HB GLU 34 -8.224 -22.399 4.407 256 1HG GLU 34 1HG GLU 34 -8.366 -21.771 6.720 257 2HG GLU 34 2HG GLU 34 -9.411 -20.407 6.323 258 H ASP 35 H ASP 35 -8.438 -19.058 2.506 259 HA ASP 35 HA ASP 35 -7.259 -20.534 0.351 260 1HB ASP 35 1HB ASP 35 -8.801 -17.932 0.367 261 2HB ASP 35 2HB ASP 35 -8.331 -18.810 -1.087 262 H TRP 36 H TRP 36 -5.877 -19.639 -1.294 263 HA TRP 36 HA TRP 36 -3.933 -17.737 -0.178 264 1HB TRP 36 1HB TRP 36 -3.668 -19.969 -2.184 265 2HB TRP 36 2HB TRP 36 -2.434 -18.723 -2.016 266 HD1 TRP 36 HD1 TRP 36 -3.446 -22.004 -0.622 267 HE1 TRP 36 HE1 TRP 36 -2.035 -22.566 1.458 268 HE3 TRP 36 HE3 TRP 36 -1.324 -17.424 0.193 269 HZ2 TRP 36 HZ2 TRP 36 -0.265 -21.252 3.205 270 HZ3 TRP 36 HZ3 TRP 36 0.218 -17.162 2.093 271 HH2 TRP 36 HH2 TRP 36 0.732 -19.041 3.566 272 H ARG 37 H ARG 37 -5.942 -18.431 -2.969 273 HA ARG 37 HA ARG 37 -4.939 -16.514 -4.739 274 1HB ARG 37 1HB ARG 37 -7.218 -16.623 -5.784 275 2HB ARG 37 2HB ARG 37 -6.443 -18.184 -5.553 276 1HG ARG 37 1HG ARG 37 -7.786 -18.506 -3.504 277 2HG ARG 37 2HG ARG 37 -8.613 -16.984 -3.845 278 1HD ARG 37 1HD ARG 37 -9.443 -17.873 -5.943 279 2HD ARG 37 2HD ARG 37 -8.549 -19.372 -5.687 280 HE ARG 37 HE ARG 37 -10.331 -18.840 -3.534 281 1HH1 ARG 37 1HH1 ARG 37 -10.199 -20.020 -6.809 282 2HH1 ARG 37 2HH1 ARG 37 -11.614 -21.005 -6.649 283 1HH2 ARG 37 1HH2 ARG 37 -12.196 -20.135 -3.313 284 2HH2 ARG 37 2HH2 ARG 37 -12.750 -21.070 -4.662 285 H ILE 38 H ILE 38 -7.365 -16.256 -2.184 286 HA ILE 38 HA ILE 38 -8.003 -13.521 -2.791 287 HB ILE 38 HB ILE 38 -8.622 -15.111 -0.296 288 1HG1 ILE 38 1HG1 ILE 38 -10.444 -14.551 -2.640 289 2HG1 ILE 38 2HG1 ILE 38 -9.491 -16.026 -2.505 290 1HG2 ILE 38 1HG2 ILE 38 -10.411 -13.439 0.017 291 2HG2 ILE 38 2HG2 ILE 38 -9.780 -12.538 -1.361 292 3HG2 ILE 38 3HG2 ILE 38 -8.799 -12.731 0.091 293 1HD1 ILE 38 1HD1 ILE 38 -11.571 -15.107 -0.536 294 2HD1 ILE 38 2HD1 ILE 38 -10.648 -16.608 -0.456 295 3HD1 ILE 38 3HD1 ILE 38 -11.794 -16.346 -1.770 296 H ARG 39 H ARG 39 -5.942 -15.212 -0.487 297 HA ARG 39 HA ARG 39 -5.239 -13.073 1.163 298 1HB ARG 39 1HB ARG 39 -4.639 -15.688 1.153 299 2HB ARG 39 2HB ARG 39 -3.142 -15.067 0.473 300 1HG ARG 39 1HG ARG 39 -4.184 -13.773 2.929 301 2HG ARG 39 2HG ARG 39 -3.486 -15.386 3.074 302 1HD ARG 39 1HD ARG 39 -1.488 -14.455 1.795 303 2HD ARG 39 2HD ARG 39 -2.174 -12.861 2.107 304 HE ARG 39 HE ARG 39 -2.036 -14.241 4.533 305 1HH1 ARG 39 1HH1 ARG 39 0.106 -12.880 2.145 306 2HH1 ARG 39 2HH1 ARG 39 1.381 -12.579 3.278 307 1HH2 ARG 39 1HH2 ARG 39 -0.364 -13.848 6.028 308 2HH2 ARG 39 2HH2 ARG 39 1.115 -13.128 5.484 309 H GLY 40 H GLY 40 -4.363 -13.801 -2.088 310 1HA GLY 40 1HA GLY 40 -1.978 -12.189 -2.141 311 2HA GLY 40 2HA GLY 40 -2.793 -12.897 -3.528 312 H ALA 41 H ALA 41 -5.265 -11.817 -3.467 313 HA ALA 41 HA ALA 41 -5.008 -9.353 -4.661 314 1HB ALA 41 1HB ALA 41 -7.415 -9.076 -4.330 315 2HB ALA 41 2HB ALA 41 -7.405 -10.381 -3.144 316 3HB ALA 41 3HB ALA 41 -7.023 -10.721 -4.831 317 H ALA 42 H ALA 42 -5.376 -10.117 -1.258 318 HA ALA 42 HA ALA 42 -5.941 -7.545 -0.294 319 1HB ALA 42 1HB ALA 42 -4.405 -9.745 1.089 320 2HB ALA 42 2HB ALA 42 -6.162 -9.589 1.058 321 3HB ALA 42 3HB ALA 42 -5.182 -8.365 1.866 322 H ALA 43 H ALA 43 -2.822 -9.258 -0.487 323 HA ALA 43 HA ALA 43 -1.213 -7.075 0.284 324 1HB ALA 43 1HB ALA 43 -0.362 -9.311 0.409 325 2HB ALA 43 2HB ALA 43 0.631 -8.404 -0.734 326 3HB ALA 43 3HB ALA 43 -0.579 -9.543 -1.326 327 H TRP 44 H TRP 44 -2.671 -7.979 -2.728 328 HA TRP 44 HA TRP 44 -0.964 -6.523 -4.465 329 1HB TRP 44 1HB TRP 44 -3.565 -7.928 -4.693 330 2HB TRP 44 2HB TRP 44 -3.214 -6.710 -5.914 331 HD1 TRP 44 HD1 TRP 44 -1.156 -9.620 -4.343 332 HE1 TRP 44 HE1 TRP 44 0.026 -10.868 -6.257 333 HE3 TRP 44 HE3 TRP 44 -2.850 -6.847 -8.292 334 HZ2 TRP 44 HZ2 TRP 44 0.216 -10.704 -9.066 335 HZ3 TRP 44 HZ3 TRP 44 -2.122 -7.462 -10.561 336 HH2 TRP 44 HH2 TRP 44 -0.621 -9.351 -10.938 337 H ILE 45 H ILE 45 -3.948 -5.704 -2.754 338 HA ILE 45 HA ILE 45 -3.980 -3.064 -4.034 339 HB ILE 45 HB ILE 45 -6.056 -4.293 -2.215 340 1HG1 ILE 45 1HG1 ILE 45 -6.128 -4.034 -5.228 341 2HG1 ILE 45 2HG1 ILE 45 -5.684 -5.516 -4.387 342 1HG2 ILE 45 1HG2 ILE 45 -7.518 -2.531 -3.102 343 2HG2 ILE 45 2HG2 ILE 45 -6.160 -1.870 -4.010 344 3HG2 ILE 45 3HG2 ILE 45 -6.128 -1.863 -2.248 345 1HD1 ILE 45 1HD1 ILE 45 -8.335 -4.106 -4.189 346 2HD1 ILE 45 2HD1 ILE 45 -7.891 -5.600 -3.363 347 3HD1 ILE 45 3HD1 ILE 45 -7.998 -5.564 -5.122 348 H ILE 46 H ILE 46 -3.135 -4.616 -1.117 349 HA ILE 46 HA ILE 46 -3.635 -2.664 0.794 350 HB ILE 46 HB ILE 46 -2.736 -5.096 1.031 351 1HG1 ILE 46 1HG1 ILE 46 -1.536 -3.174 2.982 352 2HG1 ILE 46 2HG1 ILE 46 -3.285 -3.228 2.773 353 1HG2 ILE 46 1HG2 ILE 46 -0.601 -4.577 -0.165 354 2HG2 ILE 46 2HG2 ILE 46 -0.401 -5.341 1.410 355 3HG2 ILE 46 3HG2 ILE 46 -0.129 -3.609 1.232 356 1HD1 ILE 46 1HD1 ILE 46 -1.582 -5.606 3.466 357 2HD1 ILE 46 2HD1 ILE 46 -3.343 -5.535 3.414 358 3HD1 ILE 46 3HD1 ILE 46 -2.458 -4.621 4.636 359 H GLY 47 H GLY 47 -0.949 -2.915 -1.485 360 1HA GLY 47 1HA GLY 47 0.576 -0.830 -0.217 361 2HA GLY 47 2HA GLY 47 0.918 -1.574 -1.768 362 H ASN 48 H ASN 48 -1.949 -0.897 -2.573 363 HA ASN 48 HA ASN 48 -1.305 1.549 -3.870 364 1HB ASN 48 1HB ASN 48 -3.901 0.017 -3.677 365 2HB ASN 48 2HB ASN 48 -3.665 1.434 -4.697 366 1HD2 ASN 48 1HD2 ASN 48 -2.813 -1.898 -4.175 367 2HD2 ASN 48 2HD2 ASN 48 -2.162 -2.185 -5.750 368 H PHE 49 H PHE 49 -2.070 1.130 -0.727 369 HA PHE 49 HA PHE 49 -3.696 3.581 -0.589 370 1HB PHE 49 1HB PHE 49 -3.436 1.213 1.220 371 2HB PHE 49 2HB PHE 49 -3.956 2.758 1.879 372 HD1 PHE 49 HD1 PHE 49 -6.136 3.606 1.469 373 HD2 PHE 49 HD2 PHE 49 -4.804 0.069 -0.489 374 HE1 PHE 49 HE1 PHE 49 -8.441 3.142 0.745 375 HE2 PHE 49 HE2 PHE 49 -7.108 -0.400 -1.215 376 HZ PHE 49 HZ PHE 49 -8.929 1.138 -0.599 377 H GLN 50 H GLN 50 -0.635 2.203 0.296 378 HA GLN 50 HA GLN 50 1.258 3.100 1.185 379 1HB GLN 50 1HB GLN 50 -0.228 5.654 0.580 380 2HB GLN 50 2HB GLN 50 1.390 5.642 1.276 381 1HG GLN 50 1HG GLN 50 1.803 5.860 -0.978 382 2HG GLN 50 2HG GLN 50 1.990 4.127 -0.692 383 1HE2 GLN 50 1HE2 GLN 50 1.510 3.519 -2.782 384 2HE2 GLN 50 2HE2 GLN 50 -0.062 3.674 -3.475 385 H ASP 51 H ASP 51 -0.691 2.151 2.908 386 HA ASP 51 HA ASP 51 -0.711 4.036 5.157 387 1HB ASP 51 1HB ASP 51 -2.381 1.672 4.425 388 2HB ASP 51 2HB ASP 51 -2.230 2.108 6.122 389 H GLU 52 H GLU 52 -0.492 2.978 7.360 390 HA GLU 52 HA GLU 52 2.096 1.866 7.577 391 1HB GLU 52 1HB GLU 52 1.470 1.598 10.007 392 2HB GLU 52 2HB GLU 52 1.322 3.226 9.361 393 1HG GLU 52 1HG GLU 52 -1.089 2.903 9.110 394 2HG GLU 52 2HG GLU 52 -0.934 1.277 9.776 395 H ARG 53 H ARG 53 -1.139 0.447 7.822 396 HA ARG 53 HA ARG 53 -0.230 -2.126 8.624 397 1HB ARG 53 1HB ARG 53 -2.732 -2.203 7.144 398 2HB ARG 53 2HB ARG 53 -2.407 -2.623 8.818 399 1HG ARG 53 1HG ARG 53 -2.390 -0.019 9.138 400 2HG ARG 53 2HG ARG 53 -3.337 -0.053 7.647 401 1HD ARG 53 1HD ARG 53 -4.936 -1.564 8.685 402 2HD ARG 53 2HD ARG 53 -3.984 -1.577 10.168 403 HE ARG 53 HE ARG 53 -4.489 0.858 10.306 404 1HH1 ARG 53 1HH1 ARG 53 -6.560 -1.265 8.476 405 2HH1 ARG 53 2HH1 ARG 53 -7.961 -0.264 8.657 406 1HH2 ARG 53 1HH2 ARG 53 -6.330 2.181 10.548 407 2HH2 ARG 53 2HH2 ARG 53 -7.831 1.693 9.832 408 H ALA 54 H ALA 54 0.091 -0.493 5.742 409 HA ALA 54 HA ALA 54 -0.175 -2.791 3.995 410 1HB ALA 54 1HB ALA 54 0.084 -1.319 2.207 411 2HB ALA 54 2HB ALA 54 0.933 -0.129 3.191 412 3HB ALA 54 3HB ALA 54 -0.796 -0.382 3.415 413 H VAL 55 H VAL 55 2.451 -0.879 5.394 414 HA VAL 55 HA VAL 55 4.500 -1.872 3.738 415 HB VAL 55 HB VAL 55 6.074 -1.078 5.435 416 1HG1 VAL 55 1HG1 VAL 55 3.809 0.861 4.990 417 2HG1 VAL 55 2HG1 VAL 55 5.047 0.465 3.798 418 3HG1 VAL 55 3HG1 VAL 55 5.498 1.261 5.305 419 1HG2 VAL 55 1HG2 VAL 55 4.719 -1.746 7.411 420 2HG2 VAL 55 2HG2 VAL 55 3.660 -0.374 7.089 421 3HG2 VAL 55 3HG2 VAL 55 5.352 -0.102 7.501 422 H GLU 56 H GLU 56 3.238 -3.092 6.819 423 HA GLU 56 HA GLU 56 5.287 -4.929 7.330 424 1HB GLU 56 1HB GLU 56 3.483 -4.244 8.940 425 2HB GLU 56 2HB GLU 56 2.396 -5.331 8.088 426 1HG GLU 56 1HG GLU 56 3.091 -6.698 9.768 427 2HG GLU 56 2HG GLU 56 4.300 -7.076 8.539 428 HA PRO 57 HA PRO 57 2.334 -8.285 5.088 429 1HB PRO 57 1HB PRO 57 1.507 -6.319 2.995 430 2HB PRO 57 2HB PRO 57 0.652 -7.743 3.601 431 1HG PRO 57 1HG PRO 57 -0.051 -5.310 4.400 432 2HG PRO 57 2HG PRO 57 -0.037 -6.670 5.537 433 1HD PRO 57 1HD PRO 57 1.854 -4.392 5.284 434 2HD PRO 57 2HD PRO 57 1.373 -5.308 6.722 435 H LEU 58 H LEU 58 3.586 -5.626 3.080 436 HA LEU 58 HA LEU 58 4.686 -7.134 1.045 437 1HB LEU 58 1HB LEU 58 5.989 -4.622 2.043 438 2HB LEU 58 2HB LEU 58 5.855 -5.203 0.394 439 HG LEU 58 HG LEU 58 3.586 -4.134 2.072 440 1HD1 LEU 58 1HD1 LEU 58 3.599 -2.263 0.507 441 2HD1 LEU 58 2HD1 LEU 58 5.010 -2.946 -0.300 442 3HD1 LEU 58 3HD1 LEU 58 5.131 -2.392 1.371 443 1HD2 LEU 58 1HD2 LEU 58 2.281 -4.259 -0.002 444 2HD2 LEU 58 2HD2 LEU 58 2.809 -5.851 0.544 445 3HD2 LEU 58 3HD2 LEU 58 3.638 -5.058 -0.795 446 H ILE 59 H ILE 59 5.947 -6.539 4.247 447 HA ILE 59 HA ILE 59 8.645 -7.167 3.772 448 HB ILE 59 HB ILE 59 7.030 -7.499 6.297 449 1HG1 ILE 59 1HG1 ILE 59 7.127 -5.188 5.445 450 2HG1 ILE 59 2HG1 ILE 59 8.012 -5.362 6.955 451 1HG2 ILE 59 1HG2 ILE 59 8.990 -8.884 6.442 452 2HG2 ILE 59 2HG2 ILE 59 9.220 -7.456 7.452 453 3HG2 ILE 59 3HG2 ILE 59 10.013 -7.562 5.880 454 1HD1 ILE 59 1HD1 ILE 59 10.113 -5.419 5.721 455 2HD1 ILE 59 2HD1 ILE 59 9.202 -3.948 5.379 456 3HD1 ILE 59 3HD1 ILE 59 9.229 -5.263 4.203 457 H LYS 60 H LYS 60 6.155 -9.247 5.258 458 HA LYS 60 HA LYS 60 7.760 -11.588 5.136 459 1HB LYS 60 1HB LYS 60 4.882 -11.041 5.762 460 2HB LYS 60 2HB LYS 60 5.446 -12.696 5.582 461 1HG LYS 60 1HG LYS 60 5.439 -12.052 7.910 462 2HG LYS 60 2HG LYS 60 7.093 -12.319 7.358 463 1HD LYS 60 1HD LYS 60 7.394 -9.905 7.100 464 2HD LYS 60 2HD LYS 60 5.738 -9.638 7.649 465 1HE LYS 60 1HE LYS 60 7.940 -10.929 9.256 466 2HE LYS 60 2HE LYS 60 7.368 -9.272 9.445 467 1HZ LYS 60 1HZ LYS 60 5.180 -10.150 10.026 468 2HZ LYS 60 2HZ LYS 60 6.369 -10.708 11.090 469 3HZ LYS 60 3HZ LYS 60 5.763 -11.731 9.888 470 H LEU 61 H LEU 61 6.058 -9.990 2.725 471 HA LEU 61 HA LEU 61 5.217 -12.333 1.261 472 1HB LEU 61 1HB LEU 61 5.079 -9.390 0.861 473 2HB LEU 61 2HB LEU 61 4.899 -10.429 -0.537 474 HG LEU 61 HG LEU 61 2.855 -11.213 0.124 475 1HD1 LEU 61 1HD1 LEU 61 3.312 -12.246 2.180 476 2HD1 LEU 61 2HD1 LEU 61 2.068 -11.051 2.546 477 3HD1 LEU 61 3HD1 LEU 61 3.753 -10.722 2.948 478 1HD2 LEU 61 1HD2 LEU 61 3.107 -8.498 1.388 479 2HD2 LEU 61 2HD2 LEU 61 1.572 -9.331 1.150 480 3HD2 LEU 61 3HD2 LEU 61 2.558 -8.883 -0.241 481 H LEU 62 H LEU 62 7.658 -9.791 0.771 482 HA LEU 62 HA LEU 62 8.701 -10.701 -1.638 483 1HB LEU 62 1HB LEU 62 10.187 -9.337 0.605 484 2HB LEU 62 2HB LEU 62 10.687 -9.405 -1.075 485 HG LEU 62 HG LEU 62 8.052 -8.180 -0.344 486 1HD1 LEU 62 1HD1 LEU 62 9.782 -7.136 1.084 487 2HD1 LEU 62 2HD1 LEU 62 9.094 -6.023 -0.096 488 3HD1 LEU 62 3HD1 LEU 62 10.689 -6.719 -0.369 489 1HD2 LEU 62 1HD2 LEU 62 8.504 -8.623 -2.690 490 2HD2 LEU 62 2HD2 LEU 62 10.024 -7.735 -2.584 491 3HD2 LEU 62 3HD2 LEU 62 8.492 -6.886 -2.385 492 H GLU 63 H GLU 63 8.766 -12.252 1.339 493 HA GLU 63 HA GLU 63 10.991 -13.962 0.447 494 1HB GLU 63 1HB GLU 63 10.546 -12.620 2.996 495 2HB GLU 63 2HB GLU 63 10.805 -14.347 3.182 496 1HG GLU 63 1HG GLU 63 12.905 -14.189 1.984 497 2HG GLU 63 2HG GLU 63 12.635 -12.470 1.702 498 H ASP 64 H ASP 64 7.719 -13.772 1.073 499 HA ASP 64 HA ASP 64 7.150 -16.243 2.259 500 1HB ASP 64 1HB ASP 64 5.605 -14.189 1.703 501 2HB ASP 64 2HB ASP 64 5.294 -15.097 0.227 502 H ASP 65 H ASP 65 7.635 -15.335 -1.050 503 HA ASP 65 HA ASP 65 8.067 -16.517 -2.946 504 1HB ASP 65 1HB ASP 65 8.585 -18.758 -0.982 505 2HB ASP 65 2HB ASP 65 8.941 -18.842 -2.704 506 H SER 66 H SER 66 5.347 -16.441 -1.682 507 HA SER 66 HA SER 66 4.154 -18.959 -2.473 508 1HB SER 66 1HB SER 66 3.255 -16.508 -1.085 509 2HB SER 66 2HB SER 66 2.026 -17.362 -2.015 510 HG SER 66 HG SER 66 2.868 -19.294 -0.840 511 H GLY 67 H GLY 67 5.381 -16.643 -4.288 512 1HA GLY 67 1HA GLY 67 5.113 -16.152 -6.525 513 2HA GLY 67 2HA GLY 67 3.772 -17.288 -6.563 514 H PHE 68 H PHE 68 1.686 -16.524 -5.733 515 HA PHE 68 HA PHE 68 0.952 -14.038 -6.843 516 1HB PHE 68 1HB PHE 68 -0.460 -16.181 -6.251 517 2HB PHE 68 2HB PHE 68 -0.685 -15.367 -4.710 518 HD1 PHE 68 HD1 PHE 68 -0.928 -12.522 -5.649 519 HD2 PHE 68 HD2 PHE 68 -2.563 -16.149 -7.180 520 HE1 PHE 68 HE1 PHE 68 -2.814 -11.271 -6.608 521 HE2 PHE 68 HE2 PHE 68 -4.446 -14.898 -8.141 522 HZ PHE 68 HZ PHE 68 -4.573 -12.456 -7.858 523 H VAL 69 H VAL 69 1.258 -15.118 -3.484 524 HA VAL 69 HA VAL 69 0.675 -12.661 -2.261 525 HB VAL 69 HB VAL 69 2.451 -14.828 -1.151 526 1HG1 VAL 69 1HG1 VAL 69 2.549 -12.939 0.246 527 2HG1 VAL 69 2HG1 VAL 69 1.402 -14.040 1.008 528 3HG1 VAL 69 3HG1 VAL 69 0.817 -12.644 0.102 529 1HG2 VAL 69 1HG2 VAL 69 0.403 -15.836 -1.966 530 2HG2 VAL 69 2HG2 VAL 69 -0.558 -14.628 -1.112 531 3HG2 VAL 69 3HG2 VAL 69 0.397 -15.799 -0.202 532 H ARG 70 H ARG 70 3.765 -14.127 -3.200 533 HA ARG 70 HA ARG 70 5.399 -12.093 -2.106 534 1HB ARG 70 1HB ARG 70 6.199 -14.369 -2.697 535 2HB ARG 70 2HB ARG 70 6.029 -13.959 -4.398 536 1HG ARG 70 1HG ARG 70 7.680 -12.158 -4.105 537 2HG ARG 70 2HG ARG 70 7.877 -12.639 -2.420 538 1HD ARG 70 1HD ARG 70 9.646 -13.559 -3.842 539 2HD ARG 70 2HD ARG 70 8.664 -14.828 -3.114 540 HE ARG 70 HE ARG 70 7.492 -14.449 -5.519 541 1HH1 ARG 70 1HH1 ARG 70 10.782 -15.028 -4.535 542 2HH1 ARG 70 2HH1 ARG 70 11.205 -15.868 -5.989 543 1HH2 ARG 70 1HH2 ARG 70 8.040 -15.556 -7.438 544 2HH2 ARG 70 2HH2 ARG 70 9.648 -16.168 -7.639 545 H SER 71 H SER 71 4.616 -12.761 -5.524 546 HA SER 71 HA SER 71 5.732 -10.509 -6.652 547 1HB SER 71 1HB SER 71 3.217 -11.948 -7.522 548 2HB SER 71 2HB SER 71 4.143 -10.829 -8.521 549 HG SER 71 HG SER 71 5.761 -12.709 -7.481 550 H GLY 72 H GLY 72 2.772 -10.798 -4.847 551 1HA GLY 72 1HA GLY 72 1.475 -8.453 -5.684 552 2HA GLY 72 2HA GLY 72 1.266 -9.225 -4.119 553 H ALA 73 H ALA 73 3.766 -8.980 -3.025 554 HA ALA 73 HA ALA 73 3.740 -6.309 -2.106 555 1HB ALA 73 1HB ALA 73 4.507 -8.146 -0.710 556 2HB ALA 73 2HB ALA 73 5.765 -6.921 -0.872 557 3HB ALA 73 3HB ALA 73 5.869 -8.420 -1.795 558 H ALA 74 H ALA 74 5.666 -8.012 -4.498 559 HA ALA 74 HA ALA 74 7.743 -6.223 -4.878 560 1HB ALA 74 1HB ALA 74 6.349 -7.866 -6.989 561 2HB ALA 74 2HB ALA 74 7.638 -8.432 -5.926 562 3HB ALA 74 3HB ALA 74 7.964 -7.168 -7.112 563 H ARG 75 H ARG 75 4.545 -6.248 -6.426 564 HA ARG 75 HA ARG 75 5.083 -3.843 -7.903 565 1HB ARG 75 1HB ARG 75 2.607 -4.014 -8.448 566 2HB ARG 75 2HB ARG 75 3.616 -5.356 -8.965 567 1HG ARG 75 1HG ARG 75 2.852 -6.710 -7.137 568 2HG ARG 75 2HG ARG 75 1.957 -5.351 -6.455 569 1HD ARG 75 1HD ARG 75 0.542 -6.978 -7.702 570 2HD ARG 75 2HD ARG 75 0.449 -5.325 -8.311 571 HE ARG 75 HE ARG 75 2.169 -7.341 -9.597 572 1HH1 ARG 75 1HH1 ARG 75 -0.355 -4.942 -9.742 573 2HH1 ARG 75 2HH1 ARG 75 -0.469 -4.979 -11.470 574 1HH2 ARG 75 1HH2 ARG 75 2.024 -7.397 -11.874 575 2HH2 ARG 75 2HH2 ARG 75 0.883 -6.374 -12.681 576 H SER 76 H SER 76 3.380 -4.675 -4.937 577 HA SER 76 HA SER 76 2.003 -2.276 -4.543 578 1HB SER 76 1HB SER 76 3.076 -4.297 -2.576 579 2HB SER 76 2HB SER 76 2.078 -2.924 -2.095 580 HG SER 76 HG SER 76 0.392 -3.743 -3.241 581 H LEU 77 H LEU 77 5.304 -3.182 -3.601 582 HA LEU 77 HA LEU 77 5.872 -0.904 -2.060 583 1HB LEU 77 1HB LEU 77 7.736 -2.602 -3.719 584 2HB LEU 77 2HB LEU 77 8.245 -1.443 -2.505 585 HG LEU 77 HG LEU 77 6.391 -3.647 -1.710 586 1HD1 LEU 77 1HD1 LEU 77 8.156 -5.180 -1.390 587 2HD1 LEU 77 2HD1 LEU 77 9.371 -3.975 -1.810 588 3HD1 LEU 77 3HD1 LEU 77 8.290 -4.605 -3.051 589 1HD2 LEU 77 1HD2 LEU 77 8.702 -2.411 -0.235 590 2HD2 LEU 77 2HD2 LEU 77 7.360 -3.348 0.424 591 3HD2 LEU 77 3HD2 LEU 77 7.076 -1.728 -0.210 592 H GLU 78 H GLU 78 6.933 -1.569 -5.408 593 HA GLU 78 HA GLU 78 7.845 0.958 -6.020 594 1HB GLU 78 1HB GLU 78 6.471 -0.965 -7.902 595 2HB GLU 78 2HB GLU 78 7.515 0.368 -8.377 596 1HG GLU 78 1HG GLU 78 9.337 -0.750 -7.030 597 2HG GLU 78 2HG GLU 78 8.271 -2.151 -6.929 598 H GLN 79 H GLN 79 4.560 -0.254 -5.982 599 HA GLN 79 HA GLN 79 3.323 1.887 -7.332 600 1HB GLN 79 1HB GLN 79 2.384 -0.173 -5.362 601 2HB GLN 79 2HB GLN 79 1.315 1.147 -5.815 602 1HG GLN 79 1HG GLN 79 1.114 0.419 -7.989 603 2HG GLN 79 2HG GLN 79 2.630 -0.477 -7.941 604 1HE2 GLN 79 1HE2 GLN 79 0.249 -0.691 -5.405 605 2HE2 GLN 79 2HE2 GLN 79 -0.244 -2.312 -5.736 606 H ILE 80 H ILE 80 4.077 1.318 -3.931 607 HA ILE 80 HA ILE 80 2.911 3.642 -2.890 608 HB ILE 80 HB ILE 80 5.160 1.896 -1.882 609 1HG1 ILE 80 1HG1 ILE 80 2.317 2.208 -0.894 610 2HG1 ILE 80 2HG1 ILE 80 2.811 0.985 -2.060 611 1HG2 ILE 80 1HG2 ILE 80 3.798 4.228 -0.534 612 2HG2 ILE 80 2HG2 ILE 80 5.511 4.063 -0.917 613 3HG2 ILE 80 3HG2 ILE 80 4.778 3.030 0.310 614 1HD1 ILE 80 1HD1 ILE 80 4.342 0.039 -0.408 615 2HD1 ILE 80 2HD1 ILE 80 2.676 0.059 0.172 616 3HD1 ILE 80 3HD1 ILE 80 3.829 1.257 0.758 617 H GLY 81 H GLY 81 6.379 2.983 -3.474 618 1HA GLY 81 1HA GLY 81 8.081 4.383 -4.129 619 2HA GLY 81 2HA GLY 81 6.851 5.511 -4.680 620 H GLY 82 H GLY 82 9.464 5.557 -2.961 621 1HA GLY 82 1HA GLY 82 9.592 7.789 -1.723 622 2HA GLY 82 2HA GLY 82 8.350 7.087 -0.699 623 H GLU 83 H GLU 83 10.719 8.001 0.368 624 HA GLU 83 HA GLU 83 12.715 6.022 0.643 625 1HB GLU 83 1HB GLU 83 13.504 7.346 2.547 626 2HB GLU 83 2HB GLU 83 13.127 8.376 1.173 627 1HG GLU 83 1HG GLU 83 10.953 8.909 2.217 628 2HG GLU 83 2HG GLU 83 11.429 7.954 3.621 629 H ARG 84 H ARG 84 9.614 6.410 2.069 630 HA ARG 84 HA ARG 84 9.968 5.025 4.471 631 1HB ARG 84 1HB ARG 84 7.446 4.492 4.143 632 2HB ARG 84 2HB ARG 84 7.950 6.159 4.367 633 1HG ARG 84 1HG ARG 84 6.577 6.483 2.601 634 2HG ARG 84 2HG ARG 84 8.024 6.047 1.691 635 1HD ARG 84 1HD ARG 84 5.953 4.886 0.966 636 2HD ARG 84 2HD ARG 84 7.259 3.802 1.433 637 HE ARG 84 HE ARG 84 6.001 3.094 3.235 638 1HH1 ARG 84 1HH1 ARG 84 4.491 5.852 1.731 639 2HH1 ARG 84 2HH1 ARG 84 3.015 5.692 2.623 640 1HH2 ARG 84 1HH2 ARG 84 4.061 2.880 4.416 641 2HH2 ARG 84 2HH2 ARG 84 2.771 4.004 4.149 642 H VAL 85 H VAL 85 8.807 3.795 1.337 643 HA VAL 85 HA VAL 85 8.782 1.083 2.203 644 HB VAL 85 HB VAL 85 8.428 2.474 -0.413 645 1HG1 VAL 85 1HG1 VAL 85 9.936 0.708 -1.060 646 2HG1 VAL 85 2HG1 VAL 85 8.305 0.295 -1.587 647 3HG1 VAL 85 3HG1 VAL 85 8.994 -0.477 -0.159 648 1HG2 VAL 85 1HG2 VAL 85 6.350 1.225 -0.433 649 2HG2 VAL 85 2HG2 VAL 85 6.543 2.055 1.111 650 3HG2 VAL 85 3HG2 VAL 85 6.853 0.324 0.997 651 H ARG 86 H ARG 86 11.169 3.218 0.916 652 HA ARG 86 HA ARG 86 12.990 1.488 -0.242 653 1HB ARG 86 1HB ARG 86 13.233 3.928 -0.271 654 2HB ARG 86 2HB ARG 86 13.577 3.922 1.453 655 1HG ARG 86 1HG ARG 86 15.609 2.632 1.048 656 2HG ARG 86 2HG ARG 86 15.264 2.635 -0.683 657 1HD ARG 86 1HD ARG 86 15.372 5.092 -0.677 658 2HD ARG 86 2HD ARG 86 15.768 5.059 1.040 659 HE ARG 86 HE ARG 86 17.567 3.501 -0.557 660 1HH1 ARG 86 1HH1 ARG 86 16.845 6.707 0.607 661 2HH1 ARG 86 2HH1 ARG 86 18.471 7.274 0.433 662 1HH2 ARG 86 1HH2 ARG 86 19.710 4.242 -0.788 663 2HH2 ARG 86 2HH2 ARG 86 20.099 5.875 -0.361 664 H ALA 87 H ALA 87 12.286 2.033 3.136 665 HA ALA 87 HA ALA 87 14.564 0.818 4.254 666 1HB ALA 87 1HB ALA 87 11.773 1.015 5.388 667 2HB ALA 87 2HB ALA 87 13.046 2.223 5.559 668 3HB ALA 87 3HB ALA 87 13.235 0.634 6.299 669 H ALA 88 H ALA 88 11.370 -0.454 3.385 670 HA ALA 88 HA ALA 88 11.775 -3.081 4.276 671 1HB ALA 88 1HB ALA 88 9.573 -2.131 3.652 672 2HB ALA 88 2HB ALA 88 9.895 -3.685 2.884 673 3HB ALA 88 3HB ALA 88 10.058 -2.194 1.957 674 H MET 89 H MET 89 12.600 -1.451 1.278 675 HA MET 89 HA MET 89 13.390 -3.765 -0.160 676 1HB MET 89 1HB MET 89 14.612 -1.061 -0.611 677 2HB MET 89 2HB MET 89 14.228 -2.305 -1.785 678 1HG MET 89 1HG MET 89 12.362 -0.431 -0.394 679 2HG MET 89 2HG MET 89 12.682 -0.601 -2.118 680 1HE MET 89 1HE MET 89 12.037 -2.403 -3.554 681 2HE MET 89 2HE MET 89 10.456 -1.627 -3.493 682 3HE MET 89 3HE MET 89 10.585 -3.379 -3.351 683 H GLU 90 H GLU 90 15.104 -1.405 1.823 684 HA GLU 90 HA GLU 90 17.701 -2.370 1.510 685 1HB GLU 90 1HB GLU 90 16.391 -1.097 3.922 686 2HB GLU 90 2HB GLU 90 18.119 -1.382 3.781 687 1HG GLU 90 1HG GLU 90 16.499 0.342 1.924 688 2HG GLU 90 2HG GLU 90 17.469 0.933 3.270 689 H LYS 91 H LYS 91 15.067 -3.420 3.578 690 HA LYS 91 HA LYS 91 16.636 -5.333 5.035 691 1HB LYS 91 1HB LYS 91 13.638 -5.076 4.745 692 2HB LYS 91 2HB LYS 91 14.459 -6.118 5.898 693 1HG LYS 91 1HG LYS 91 14.822 -3.136 5.837 694 2HG LYS 91 2HG LYS 91 13.588 -3.944 6.806 695 1HD LYS 91 1HD LYS 91 15.415 -5.273 7.878 696 2HD LYS 91 2HD LYS 91 16.580 -4.266 7.014 697 1HE LYS 91 1HE LYS 91 16.291 -3.421 9.257 698 2HE LYS 91 2HE LYS 91 15.615 -2.272 8.104 699 1HZ LYS 91 1HZ LYS 91 14.119 -4.187 9.807 700 2HZ LYS 91 2HZ LYS 91 13.408 -3.278 8.570 701 3HZ LYS 91 3HZ LYS 91 14.098 -2.498 9.903 702 H LEU 92 H LEU 92 14.794 -5.386 2.069 703 HA LEU 92 HA LEU 92 14.829 -8.281 1.934 704 1HB LEU 92 1HB LEU 92 12.906 -7.667 0.929 705 2HB LEU 92 2HB LEU 92 13.503 -6.069 0.531 706 HG LEU 92 HG LEU 92 14.811 -7.181 -1.341 707 1HD1 LEU 92 1HD1 LEU 92 14.477 -9.494 -0.349 708 2HD1 LEU 92 2HD1 LEU 92 14.182 -9.334 -2.081 709 3HD1 LEU 92 3HD1 LEU 92 12.824 -9.408 -0.958 710 1HD2 LEU 92 1HD2 LEU 92 12.590 -5.892 -1.455 711 2HD2 LEU 92 2HD2 LEU 92 11.845 -7.476 -1.670 712 3HD2 LEU 92 3HD2 LEU 92 13.040 -6.898 -2.830 713 H ALA 93 H ALA 93 16.706 -5.598 0.896 714 HA ALA 93 HA ALA 93 18.001 -6.732 -1.341 715 1HB ALA 93 1HB ALA 93 19.641 -4.947 -1.058 716 2HB ALA 93 2HB ALA 93 18.979 -4.584 0.536 717 3HB ALA 93 3HB ALA 93 17.994 -4.333 -0.906 718 H GLU 94 H GLU 94 18.545 -6.991 2.107 719 HA GLU 94 HA GLU 94 21.163 -8.166 1.821 720 1HB GLU 94 1HB GLU 94 20.990 -8.574 4.259 721 2HB GLU 94 2HB GLU 94 20.686 -6.897 3.828 722 1HG GLU 94 1HG GLU 94 18.288 -7.272 4.029 723 2HG GLU 94 2HG GLU 94 18.583 -8.961 4.443 724 H THR 95 H THR 95 17.897 -9.234 1.843 725 HA THR 95 HA THR 95 18.773 -12.046 1.985 726 HB THR 95 HB THR 95 16.431 -12.615 2.500 727 HG1 THR 95 HG1 THR 95 14.964 -11.162 2.067 728 1HG2 THR 95 1HG2 THR 95 16.330 -11.664 4.767 729 2HG2 THR 95 2HG2 THR 95 17.580 -10.500 4.326 730 3HG2 THR 95 3HG2 THR 95 17.953 -12.223 4.362 731 H GLY 96 H GLY 96 18.715 -9.996 -0.226 732 1HA GLY 96 1HA GLY 96 16.731 -10.410 -2.091 733 2HA GLY 96 2HA GLY 96 18.393 -10.009 -2.486 734 H THR 97 H THR 97 16.005 -12.133 -3.045 735 HA THR 97 HA THR 97 17.880 -14.110 -4.099 736 HB THR 97 HB THR 97 17.273 -15.121 -2.009 737 HG1 THR 97 HG1 THR 97 15.891 -16.192 -4.252 738 1HG2 THR 97 1HG2 THR 97 14.993 -15.491 -1.307 739 2HG2 THR 97 2HG2 THR 97 14.379 -14.769 -2.794 740 3HG2 THR 97 3HG2 THR 97 15.227 -13.771 -1.613 741 H GLY 98 H GLY 98 17.362 -14.728 -6.104 742 1HA GLY 98 1HA GLY 98 16.209 -14.934 -8.075 743 2HA GLY 98 2HA GLY 98 14.780 -15.186 -7.085 744 H PHE 99 H PHE 99 13.231 -13.943 -7.884 745 HA PHE 99 HA PHE 99 13.756 -11.416 -9.139 746 1HB PHE 99 1HB PHE 99 11.984 -12.626 -10.098 747 2HB PHE 99 2HB PHE 99 11.274 -13.003 -8.534 748 HD1 PHE 99 HD1 PHE 99 11.837 -10.277 -10.971 749 HD2 PHE 99 HD2 PHE 99 9.642 -11.615 -7.577 750 HE1 PHE 99 HE1 PHE 99 10.301 -8.370 -11.215 751 HE2 PHE 99 HE2 PHE 99 8.104 -9.711 -7.818 752 HZ PHE 99 HZ PHE 99 8.432 -8.085 -9.638 753 H ALA 100 H ALA 100 12.790 -12.490 -5.982 754 HA ALA 100 HA ALA 100 11.520 -10.254 -4.952 755 1HB ALA 100 1HB ALA 100 13.395 -12.143 -3.537 756 2HB ALA 100 2HB ALA 100 11.657 -12.353 -3.746 757 3HB ALA 100 3HB ALA 100 12.272 -11.035 -2.751 758 H ARG 101 H ARG 101 14.929 -10.775 -5.555 759 HA ARG 101 HA ARG 101 15.824 -8.539 -4.004 760 1HB ARG 101 1HB ARG 101 17.282 -10.449 -4.485 761 2HB ARG 101 2HB ARG 101 17.198 -10.070 -6.199 762 1HG ARG 101 1HG ARG 101 18.524 -8.186 -5.988 763 2HG ARG 101 2HG ARG 101 18.201 -8.033 -4.260 764 1HD ARG 101 1HD ARG 101 19.514 -10.046 -3.836 765 2HD ARG 101 2HD ARG 101 19.831 -10.211 -5.562 766 HE ARG 101 HE ARG 101 20.654 -7.690 -4.423 767 1HH1 ARG 101 1HH1 ARG 101 21.573 -10.971 -5.154 768 2HH1 ARG 101 2HH1 ARG 101 23.272 -10.631 -5.150 769 1HH2 ARG 101 1HH2 ARG 101 22.887 -7.234 -4.416 770 2HH2 ARG 101 2HH2 ARG 101 24.019 -8.508 -4.730 771 H LYS 102 H LYS 102 15.544 -9.135 -7.504 772 HA LYS 102 HA LYS 102 16.359 -6.711 -8.495 773 1HB LYS 102 1HB LYS 102 15.769 -8.611 -9.915 774 2HB LYS 102 2HB LYS 102 14.076 -8.436 -9.477 775 1HG LYS 102 1HG LYS 102 13.984 -6.283 -10.591 776 2HG LYS 102 2HG LYS 102 15.701 -6.397 -10.984 777 1HD LYS 102 1HD LYS 102 15.293 -8.341 -12.366 778 2HD LYS 102 2HD LYS 102 13.589 -8.348 -11.901 779 1HE LYS 102 1HE LYS 102 13.302 -6.154 -12.956 780 2HE LYS 102 2HE LYS 102 14.999 -6.165 -13.432 781 1HZ LYS 102 1HZ LYS 102 14.548 -8.173 -14.742 782 2HZ LYS 102 2HZ LYS 102 13.627 -6.854 -15.266 783 3HZ LYS 102 3HZ LYS 102 12.908 -8.070 -14.335 784 H VAL 103 H VAL 103 13.565 -7.430 -6.668 785 HA VAL 103 HA VAL 103 11.917 -5.255 -7.416 786 HB VAL 103 HB VAL 103 12.014 -7.013 -4.971 787 1HG1 VAL 103 1HG1 VAL 103 9.772 -6.095 -4.413 788 2HG1 VAL 103 2HG1 VAL 103 9.997 -4.869 -5.660 789 3HG1 VAL 103 3HG1 VAL 103 11.066 -4.907 -4.257 790 1HG2 VAL 103 1HG2 VAL 103 10.050 -6.873 -7.257 791 2HG2 VAL 103 2HG2 VAL 103 10.040 -8.036 -5.931 792 3HG2 VAL 103 3HG2 VAL 103 11.355 -8.048 -7.106 793 H ALA 104 H ALA 104 13.816 -5.760 -4.426 794 HA ALA 104 HA ALA 104 13.495 -3.201 -3.372 795 1HB ALA 104 1HB ALA 104 14.278 -4.945 -1.969 796 2HB ALA 104 2HB ALA 104 15.566 -3.746 -2.059 797 3HB ALA 104 3HB ALA 104 15.679 -5.234 -2.998 798 H VAL 105 H VAL 105 16.083 -4.487 -5.367 799 HA VAL 105 HA VAL 105 17.739 -2.215 -5.336 800 HB VAL 105 HB VAL 105 17.606 -4.398 -7.412 801 1HG1 VAL 105 1HG1 VAL 105 19.953 -3.780 -7.859 802 2HG1 VAL 105 2HG1 VAL 105 19.780 -2.411 -6.761 803 3HG1 VAL 105 3HG1 VAL 105 18.824 -2.481 -8.242 804 1HG2 VAL 105 1HG2 VAL 105 19.263 -4.162 -4.903 805 2HG2 VAL 105 2HG2 VAL 105 19.442 -5.417 -6.129 806 3HG2 VAL 105 3HG2 VAL 105 17.952 -5.307 -5.190 807 H ASN 106 H ASN 106 15.802 -3.433 -8.083 808 HA ASN 106 HA ASN 106 16.212 -1.264 -9.762 809 1HB ASN 106 1HB ASN 106 15.265 -3.429 -10.472 810 2HB ASN 106 2HB ASN 106 13.764 -3.032 -9.641 811 1HD2 ASN 106 1HD2 ASN 106 15.782 -2.397 -12.381 812 2HD2 ASN 106 2HD2 ASN 106 14.628 -1.477 -13.278 813 H TYR 107 H TYR 107 13.785 -1.658 -7.230 814 HA TYR 107 HA TYR 107 12.097 0.448 -7.995 815 1HB TYR 107 1HB TYR 107 11.189 -1.069 -6.471 816 2HB TYR 107 2HB TYR 107 12.609 -1.024 -5.437 817 HD1 TYR 107 HD1 TYR 107 12.512 0.137 -3.514 818 HD2 TYR 107 HD2 TYR 107 9.906 1.262 -6.656 819 HE1 TYR 107 HE1 TYR 107 11.478 1.803 -2.035 820 HE2 TYR 107 HE2 TYR 107 8.846 2.932 -5.196 821 HH TYR 107 HH TYR 107 8.558 3.292 -2.717 822 H LEU 108 H LEU 108 15.173 0.394 -6.458 823 HA LEU 108 HA LEU 108 15.129 2.770 -5.005 824 1HB LEU 108 1HB LEU 108 17.345 1.328 -6.433 825 2HB LEU 108 2HB LEU 108 17.627 2.773 -5.491 826 HG LEU 108 HG LEU 108 16.405 0.257 -4.370 827 1HD1 LEU 108 1HD1 LEU 108 18.684 -0.181 -5.092 828 2HD1 LEU 108 2HD1 LEU 108 18.588 -0.130 -3.333 829 3HD1 LEU 108 3HD1 LEU 108 19.250 1.243 -4.220 830 1HD2 LEU 108 1HD2 LEU 108 17.536 2.711 -3.028 831 2HD2 LEU 108 2HD2 LEU 108 16.896 1.283 -2.214 832 3HD2 LEU 108 3HD2 LEU 108 15.825 2.308 -3.170 833 H GLU 109 H GLU 109 15.274 2.255 -8.428 834 HA GLU 109 HA GLU 109 16.209 4.938 -8.995 835 1HB GLU 109 1HB GLU 109 15.319 2.652 -10.748 836 2HB GLU 109 2HB GLU 109 15.730 4.235 -11.394 837 1HG GLU 109 1HG GLU 109 17.616 2.772 -11.609 838 2HG GLU 109 2HG GLU 109 17.981 4.019 -10.418 839 H THR 110 H THR 110 13.333 3.792 -7.964 840 HA THR 110 HA THR 110 11.895 6.042 -9.144 841 HB THR 110 HB THR 110 9.896 4.620 -9.592 842 HG1 THR 110 HG1 THR 110 11.493 2.334 -9.695 843 1HG2 THR 110 1HG2 THR 110 11.323 5.281 -11.441 844 2HG2 THR 110 2HG2 THR 110 10.752 3.631 -11.689 845 3HG2 THR 110 3HG2 THR 110 12.399 3.920 -11.130 846 H HIS 111 H HIS 111 12.922 5.370 -6.444 847 HA HIS 111 HA HIS 111 10.524 4.853 -4.894 848 1HB HIS 111 1HB HIS 111 11.995 4.945 -2.938 849 2HB HIS 111 2HB HIS 111 12.646 3.866 -4.167 850 HD1 HIS 111 HD1 HIS 111 14.587 4.848 -2.130 851 HD2 HIS 111 HD2 HIS 111 13.803 6.953 -5.626 852 HE1 HIS 111 HE1 HIS 111 16.598 6.312 -2.499 853 HE2 HIS 111 HE2 HIS 111 16.054 7.650 -4.563 Start of MODEL 31 1 H MET 1 H MET 1 -15.643 -14.715 11.105 2 HA MET 1 HA MET 1 -14.102 -13.038 9.212 3 1HB MET 1 1HB MET 1 -13.838 -15.533 8.969 4 2HB MET 1 2HB MET 1 -15.571 -15.625 8.683 5 1HG MET 1 1HG MET 1 -14.379 -15.669 6.590 6 2HG MET 1 2HG MET 1 -15.318 -14.183 6.720 7 1HE MET 1 1HE MET 1 -12.203 -12.973 4.697 8 2HE MET 1 2HE MET 1 -13.958 -13.145 4.725 9 3HE MET 1 3HE MET 1 -12.935 -14.573 4.571 10 H ALA 2 H ALA 2 -17.240 -14.445 10.097 11 HA ALA 2 HA ALA 2 -18.546 -12.315 8.534 12 1HB ALA 2 1HB ALA 2 -20.512 -13.805 8.428 13 2HB ALA 2 2HB ALA 2 -19.584 -15.051 9.264 14 3HB ALA 2 3HB ALA 2 -19.083 -14.501 7.665 15 H ASP 3 H ASP 3 -17.703 -13.025 11.590 16 HA ASP 3 HA ASP 3 -20.175 -11.933 12.753 17 1HB ASP 3 1HB ASP 3 -19.458 -14.145 13.625 18 2HB ASP 3 2HB ASP 3 -17.947 -13.417 14.160 19 H GLU 4 H GLU 4 -16.674 -11.878 13.457 20 HA GLU 4 HA GLU 4 -16.771 -9.429 14.856 21 1HB GLU 4 1HB GLU 4 -14.413 -10.737 13.485 22 2HB GLU 4 2HB GLU 4 -14.318 -9.445 14.674 23 1HG GLU 4 1HG GLU 4 -15.307 -10.918 16.354 24 2HG GLU 4 2HG GLU 4 -15.390 -12.215 15.162 25 H ASN 5 H ASN 5 -16.050 -7.362 14.252 26 HA ASN 5 HA ASN 5 -15.948 -5.526 12.923 27 1HB ASN 5 1HB ASN 5 -13.903 -6.575 12.089 28 2HB ASN 5 2HB ASN 5 -14.838 -7.496 10.915 29 1HD2 ASN 5 1HD2 ASN 5 -13.644 -6.595 9.223 30 2HD2 ASN 5 2HD2 ASN 5 -13.911 -4.973 8.688 31 H LYS 6 H LYS 6 -18.110 -5.053 12.747 32 HA LYS 6 HA LYS 6 -19.618 -6.242 10.534 33 1HB LYS 6 1HB LYS 6 -20.744 -6.256 12.679 34 2HB LYS 6 2HB LYS 6 -20.492 -4.527 12.866 35 1HG LYS 6 1HG LYS 6 -22.763 -4.892 12.240 36 2HG LYS 6 2HG LYS 6 -21.927 -4.161 10.870 37 1HD LYS 6 1HD LYS 6 -21.662 -6.422 9.885 38 2HD LYS 6 2HD LYS 6 -22.610 -7.080 11.219 39 1HE LYS 6 1HE LYS 6 -24.485 -5.602 10.552 40 2HE LYS 6 2HE LYS 6 -23.534 -5.073 9.166 41 1HZ LYS 6 1HZ LYS 6 -23.517 -7.329 8.338 42 2HZ LYS 6 2HZ LYS 6 -25.112 -6.823 8.585 43 3HZ LYS 6 3HZ LYS 6 -24.378 -7.872 9.690 44 H TRP 7 H TRP 7 -18.308 -3.204 11.672 45 HA TRP 7 HA TRP 7 -19.608 -1.588 9.694 46 1HB TRP 7 1HB TRP 7 -17.183 -0.992 11.405 47 2HB TRP 7 2HB TRP 7 -18.101 0.190 10.478 48 HD1 TRP 7 HD1 TRP 7 -18.562 -2.187 13.496 49 HE1 TRP 7 HE1 TRP 7 -20.343 -1.165 15.050 50 HE3 TRP 7 HE3 TRP 7 -19.941 1.810 10.629 51 HZ2 TRP 7 HZ2 TRP 7 -22.106 1.041 15.053 52 HZ3 TRP 7 HZ3 TRP 7 -21.683 3.326 11.476 53 HH2 TRP 7 HH2 TRP 7 -22.742 2.949 13.642 54 H VAL 8 H VAL 8 -19.102 -2.727 7.749 55 HA VAL 8 HA VAL 8 -16.898 -1.709 6.337 56 HB VAL 8 HB VAL 8 -15.421 -3.126 7.497 57 1HG1 VAL 8 1HG1 VAL 8 -17.116 -4.527 8.589 58 2HG1 VAL 8 2HG1 VAL 8 -15.794 -5.486 7.924 59 3HG1 VAL 8 3HG1 VAL 8 -17.343 -5.416 7.082 60 1HG2 VAL 8 1HG2 VAL 8 -15.171 -3.214 5.039 61 2HG2 VAL 8 2HG2 VAL 8 -16.166 -4.669 5.012 62 3HG2 VAL 8 3HG2 VAL 8 -14.607 -4.682 5.835 63 H ARG 9 H ARG 9 -18.823 -4.722 6.518 64 HA ARG 9 HA ARG 9 -19.367 -4.417 3.645 65 1HB ARG 9 1HB ARG 9 -19.992 -6.846 3.739 66 2HB ARG 9 2HB ARG 9 -18.300 -6.502 4.068 67 1HG ARG 9 1HG ARG 9 -18.786 -8.046 5.692 68 2HG ARG 9 2HG ARG 9 -19.054 -6.531 6.555 69 1HD ARG 9 1HD ARG 9 -20.830 -8.250 6.905 70 2HD ARG 9 2HD ARG 9 -21.417 -6.708 6.284 71 HE ARG 9 HE ARG 9 -21.020 -8.177 4.043 72 1HH1 ARG 9 1HH1 ARG 9 -22.761 -8.747 7.005 73 2HH1 ARG 9 2HH1 ARG 9 -23.964 -9.744 6.257 74 1HH2 ARG 9 1HH2 ARG 9 -22.600 -9.484 3.047 75 2HH2 ARG 9 2HH2 ARG 9 -23.873 -10.162 4.006 76 H ARG 10 H ARG 10 -20.777 -3.146 6.009 77 HA ARG 10 HA ARG 10 -23.318 -4.291 6.304 78 1HB ARG 10 1HB ARG 10 -24.037 -1.933 6.893 79 2HB ARG 10 2HB ARG 10 -22.708 -2.589 7.838 80 1HG ARG 10 1HG ARG 10 -21.117 -1.331 6.461 81 2HG ARG 10 2HG ARG 10 -22.463 -0.660 5.536 82 1HD ARG 10 1HD ARG 10 -21.617 0.864 7.302 83 2HD ARG 10 2HD ARG 10 -23.322 0.452 7.483 84 HE ARG 10 HE ARG 10 -21.170 -0.793 9.072 85 1HH1 ARG 10 1HH1 ARG 10 -24.383 0.524 8.759 86 2HH1 ARG 10 2HH1 ARG 10 -24.811 0.207 10.407 87 1HH2 ARG 10 1HH2 ARG 10 -21.729 -1.215 11.243 88 2HH2 ARG 10 2HH2 ARG 10 -23.305 -0.779 11.817 89 H ASP 11 H ASP 11 -24.590 -4.819 4.665 90 HA ASP 11 HA ASP 11 -25.970 -4.618 2.864 91 1HB ASP 11 1HB ASP 11 -26.406 -2.297 3.749 92 2HB ASP 11 2HB ASP 11 -25.125 -1.720 2.686 93 H VAL 12 H VAL 12 -22.730 -4.329 2.899 94 HA VAL 12 HA VAL 12 -22.462 -4.240 -0.030 95 HB VAL 12 HB VAL 12 -20.071 -4.133 1.767 96 1HG1 VAL 12 1HG1 VAL 12 -20.763 -2.710 -0.805 97 2HG1 VAL 12 2HG1 VAL 12 -19.815 -4.189 -0.680 98 3HG1 VAL 12 3HG1 VAL 12 -19.201 -2.691 0.012 99 1HG2 VAL 12 1HG2 VAL 12 -21.934 -1.810 1.296 100 2HG2 VAL 12 2HG2 VAL 12 -20.304 -1.679 1.955 101 3HG2 VAL 12 3HG2 VAL 12 -21.545 -2.560 2.844 102 H SER 13 H SER 13 -20.006 -5.545 -0.263 103 HA SER 13 HA SER 13 -20.133 -8.111 1.041 104 1HB SER 13 1HB SER 13 -21.790 -8.462 -0.715 105 2HB SER 13 2HB SER 13 -20.652 -7.886 -1.933 106 HG SER 13 HG SER 13 -19.880 -10.012 -0.290 107 H THR 14 H THR 14 -18.859 -6.943 -2.083 108 HA THR 14 HA THR 14 -16.272 -8.056 -1.542 109 HB THR 14 HB THR 14 -15.586 -6.973 -3.662 110 HG1 THR 14 HG1 THR 14 -17.608 -6.070 -4.806 111 1HG2 THR 14 1HG2 THR 14 -17.036 -8.260 -5.137 112 2HG2 THR 14 2HG2 THR 14 -18.239 -8.405 -3.854 113 3HG2 THR 14 3HG2 THR 14 -16.666 -9.186 -3.682 114 H ALA 15 H ALA 15 -15.510 -7.070 0.316 115 HA ALA 15 HA ALA 15 -15.341 -4.188 0.470 116 1HB ALA 15 1HB ALA 15 -14.280 -6.256 2.383 117 2HB ALA 15 2HB ALA 15 -15.892 -5.546 2.450 118 3HB ALA 15 3HB ALA 15 -14.471 -4.530 2.692 119 H LEU 16 H LEU 16 -12.944 -6.811 0.750 120 HA LEU 16 HA LEU 16 -10.684 -5.211 0.634 121 1HB LEU 16 1HB LEU 16 -9.420 -7.183 0.237 122 2HB LEU 16 2HB LEU 16 -10.729 -7.584 1.324 123 HG LEU 16 HG LEU 16 -10.627 -9.419 -0.082 124 1HD1 LEU 16 1HD1 LEU 16 -12.909 -8.628 0.043 125 2HD1 LEU 16 2HD1 LEU 16 -12.594 -9.380 -1.521 126 3HD1 LEU 16 3HD1 LEU 16 -12.659 -7.623 -1.384 127 1HD2 LEU 16 1HD2 LEU 16 -10.321 -9.356 -2.484 128 2HD2 LEU 16 2HD2 LEU 16 -9.019 -8.489 -1.669 129 3HD2 LEU 16 3HD2 LEU 16 -10.317 -7.593 -2.457 130 H SER 17 H SER 17 -12.873 -5.831 -1.881 131 HA SER 17 HA SER 17 -11.166 -5.866 -4.112 132 1HB SER 17 1HB SER 17 -13.508 -6.451 -4.334 133 2HB SER 17 2HB SER 17 -13.996 -4.829 -3.844 134 HG SER 17 HG SER 17 -13.250 -5.744 -6.287 135 H ARG 18 H ARG 18 -12.888 -3.136 -2.613 136 HA ARG 18 HA ARG 18 -10.896 -1.258 -2.656 137 1HB ARG 18 1HB ARG 18 -10.836 -1.555 -5.120 138 2HB ARG 18 2HB ARG 18 -12.523 -1.068 -5.204 139 1HG ARG 18 1HG ARG 18 -11.987 1.141 -4.448 140 2HG ARG 18 2HG ARG 18 -10.316 0.672 -4.131 141 1HD ARG 18 1HD ARG 18 -9.993 0.239 -6.524 142 2HD ARG 18 2HD ARG 18 -11.659 0.729 -6.833 143 HE ARG 18 HE ARG 18 -10.635 2.887 -5.591 144 1HH1 ARG 18 1HH1 ARG 18 -9.520 0.975 -8.285 145 2HH1 ARG 18 2HH1 ARG 18 -8.710 2.299 -9.054 146 1HH2 ARG 18 1HH2 ARG 18 -9.570 4.633 -6.598 147 2HH2 ARG 18 2HH2 ARG 18 -8.736 4.376 -8.094 148 H MET 19 H MET 19 -11.993 -0.640 -0.800 149 HA MET 19 HA MET 19 -14.454 0.902 -1.271 150 1HB MET 19 1HB MET 19 -13.982 -0.847 1.146 151 2HB MET 19 2HB MET 19 -15.430 0.081 0.784 152 1HG MET 19 1HG MET 19 -14.615 -1.882 -1.252 153 2HG MET 19 2HG MET 19 -15.158 -2.539 0.289 154 1HE MET 19 1HE MET 19 -17.703 0.037 -2.568 155 2HE MET 19 2HE MET 19 -16.132 -0.652 -2.975 156 3HE MET 19 3HE MET 19 -16.244 0.650 -1.791 157 H GLY 20 H GLY 20 -11.474 0.454 0.474 158 1HA GLY 20 1HA GLY 20 -10.159 2.021 1.549 159 2HA GLY 20 2HA GLY 20 -11.347 3.245 1.126 160 H ASP 21 H ASP 21 -9.850 2.452 3.671 161 HA ASP 21 HA ASP 21 -10.232 2.580 5.911 162 1HB ASP 21 1HB ASP 21 -13.158 3.091 5.417 163 2HB ASP 21 2HB ASP 21 -12.135 3.696 6.719 164 H GLU 22 H GLU 22 -13.438 1.482 4.942 165 HA GLU 22 HA GLU 22 -13.656 -0.536 6.840 166 1HB GLU 22 1HB GLU 22 -15.507 -1.378 5.411 167 2HB GLU 22 2HB GLU 22 -15.602 0.347 5.729 168 1HG GLU 22 1HG GLU 22 -14.513 0.709 3.497 169 2HG GLU 22 2HG GLU 22 -14.728 -1.015 3.198 170 H ALA 23 H ALA 23 -12.265 -0.565 3.630 171 HA ALA 23 HA ALA 23 -11.990 -3.453 3.611 172 1HB ALA 23 1HB ALA 23 -12.559 -2.358 1.537 173 2HB ALA 23 2HB ALA 23 -10.965 -3.100 1.396 174 3HB ALA 23 3HB ALA 23 -11.110 -1.358 1.632 175 H PHE 24 H PHE 24 -10.275 -0.921 4.938 176 HA PHE 24 HA PHE 24 -7.617 -1.533 4.377 177 1HB PHE 24 1HB PHE 24 -8.658 0.468 5.668 178 2HB PHE 24 2HB PHE 24 -8.458 -0.562 7.084 179 HD1 PHE 24 HD1 PHE 24 -6.483 0.545 4.115 180 HD2 PHE 24 HD2 PHE 24 -6.522 -0.318 8.283 181 HE1 PHE 24 HE1 PHE 24 -4.128 1.219 4.273 182 HE2 PHE 24 HE2 PHE 24 -4.163 0.359 8.446 183 HZ PHE 24 HZ PHE 24 -2.961 1.126 6.439 184 H GLU 25 H GLU 25 -9.524 -2.570 7.234 185 HA GLU 25 HA GLU 25 -7.510 -4.285 8.218 186 1HB GLU 25 1HB GLU 25 -10.018 -5.331 8.985 187 2HB GLU 25 2HB GLU 25 -8.869 -4.430 9.957 188 1HG GLU 25 1HG GLU 25 -9.905 -2.327 9.059 189 2HG GLU 25 2HG GLU 25 -11.168 -3.337 8.356 190 HA PRO 26 HA PRO 26 -10.347 -7.853 6.043 191 1HB PRO 26 1HB PRO 26 -10.478 -6.111 3.596 192 2HB PRO 26 2HB PRO 26 -11.554 -7.425 4.094 193 1HG PRO 26 1HG PRO 26 -12.243 -4.881 4.489 194 2HG PRO 26 2HG PRO 26 -12.623 -6.127 5.688 195 1HD PRO 26 1HD PRO 26 -10.622 -3.951 5.807 196 2HD PRO 26 2HD PRO 26 -11.429 -4.819 7.125 197 H LEU 27 H LEU 27 -8.099 -5.539 4.748 198 HA LEU 27 HA LEU 27 -6.601 -7.332 3.108 199 1HB LEU 27 1HB LEU 27 -6.004 -4.631 4.310 200 2HB LEU 27 2HB LEU 27 -4.947 -5.437 3.158 201 HG LEU 27 HG LEU 27 -7.812 -4.838 2.474 202 1HD1 LEU 27 1HD1 LEU 27 -6.902 -2.718 3.156 203 2HD1 LEU 27 2HD1 LEU 27 -7.003 -2.764 1.395 204 3HD1 LEU 27 3HD1 LEU 27 -5.447 -2.992 2.196 205 1HD2 LEU 27 1HD2 LEU 27 -6.514 -6.401 1.066 206 2HD2 LEU 27 2HD2 LEU 27 -5.342 -5.117 0.770 207 3HD2 LEU 27 3HD2 LEU 27 -7.003 -4.941 0.205 208 H LEU 28 H LEU 28 -5.967 -5.705 6.192 209 HA LEU 28 HA LEU 28 -3.603 -6.932 6.940 210 1HB LEU 28 1HB LEU 28 -4.779 -4.996 8.043 211 2HB LEU 28 2HB LEU 28 -5.883 -6.144 8.765 212 HG LEU 28 HG LEU 28 -4.128 -5.328 10.311 213 1HD1 LEU 28 1HD1 LEU 28 -3.784 -8.271 9.815 214 2HD1 LEU 28 2HD1 LEU 28 -5.247 -7.581 10.515 215 3HD1 LEU 28 3HD1 LEU 28 -3.703 -7.402 11.347 216 1HD2 LEU 28 1HD2 LEU 28 -2.184 -6.970 8.720 217 2HD2 LEU 28 2HD2 LEU 28 -1.853 -5.882 10.065 218 3HD2 LEU 28 3HD2 LEU 28 -2.355 -5.230 8.505 219 H GLU 29 H GLU 29 -6.939 -7.921 7.576 220 HA GLU 29 HA GLU 29 -6.369 -10.203 9.073 221 1HB GLU 29 1HB GLU 29 -8.760 -9.578 7.341 222 2HB GLU 29 2HB GLU 29 -8.682 -10.898 8.500 223 1HG GLU 29 1HG GLU 29 -8.386 -7.989 9.200 224 2HG GLU 29 2HG GLU 29 -9.882 -8.911 9.337 225 H SER 30 H SER 30 -6.840 -9.704 5.616 226 HA SER 30 HA SER 30 -6.772 -12.417 4.850 227 1HB SER 30 1HB SER 30 -7.705 -10.709 3.388 228 2HB SER 30 2HB SER 30 -6.127 -9.935 3.248 229 HG SER 30 HG SER 30 -6.141 -11.190 1.510 230 H LEU 31 H LEU 31 -4.277 -10.413 5.980 231 HA LEU 31 HA LEU 31 -2.100 -11.217 4.425 232 1HB LEU 31 1HB LEU 31 -2.179 -10.546 7.366 233 2HB LEU 31 2HB LEU 31 -0.707 -10.733 6.435 234 HG LEU 31 HG LEU 31 -2.802 -8.586 6.122 235 1HD1 LEU 31 1HD1 LEU 31 0.117 -8.480 6.853 236 2HD1 LEU 31 2HD1 LEU 31 -1.235 -8.286 7.968 237 3HD1 LEU 31 3HD1 LEU 31 -0.965 -7.096 6.693 238 1HD2 LEU 31 1HD2 LEU 31 -0.392 -9.174 4.412 239 2HD2 LEU 31 2HD2 LEU 31 -1.314 -7.672 4.363 240 3HD2 LEU 31 3HD2 LEU 31 -2.082 -9.194 3.911 241 H SER 32 H SER 32 -3.928 -12.934 6.785 242 HA SER 32 HA SER 32 -2.085 -15.216 6.516 243 1HB SER 32 1HB SER 32 -2.749 -15.902 8.813 244 2HB SER 32 2HB SER 32 -1.915 -14.349 8.788 245 HG SER 32 HG SER 32 -3.722 -14.160 10.084 246 H ASN 33 H ASN 33 -4.601 -14.324 5.103 247 HA ASN 33 HA ASN 33 -6.788 -15.893 5.806 248 1HB ASN 33 1HB ASN 33 -6.857 -14.059 4.152 249 2HB ASN 33 2HB ASN 33 -5.936 -15.052 3.026 250 1HD2 ASN 33 1HD2 ASN 33 -8.978 -14.667 4.681 251 2HD2 ASN 33 2HD2 ASN 33 -9.896 -15.692 3.641 252 H GLU 34 H GLU 34 -7.460 -17.939 5.303 253 HA GLU 34 HA GLU 34 -5.527 -19.942 4.985 254 1HB GLU 34 1HB GLU 34 -8.494 -20.162 4.443 255 2HB GLU 34 2HB GLU 34 -7.395 -21.492 4.786 256 1HG GLU 34 1HG GLU 34 -6.996 -20.564 7.024 257 2HG GLU 34 2HG GLU 34 -8.143 -19.271 6.676 258 H ASP 35 H ASP 35 -7.776 -18.497 2.668 259 HA ASP 35 HA ASP 35 -6.870 -20.126 0.482 260 1HB ASP 35 1HB ASP 35 -8.536 -17.598 0.465 261 2HB ASP 35 2HB ASP 35 -8.319 -18.696 -0.896 262 H TRP 36 H TRP 36 -5.402 -19.639 -1.080 263 HA TRP 36 HA TRP 36 -3.492 -17.575 -0.503 264 1HB TRP 36 1HB TRP 36 -3.599 -19.268 -2.999 265 2HB TRP 36 2HB TRP 36 -2.191 -18.504 -2.266 266 HD1 TRP 36 HD1 TRP 36 -3.450 -21.788 -2.705 267 HE1 TRP 36 HE1 TRP 36 -2.725 -23.398 -0.832 268 HE3 TRP 36 HE3 TRP 36 -1.958 -18.364 0.796 269 HZ2 TRP 36 HZ2 TRP 36 -1.670 -23.245 1.770 270 HZ3 TRP 36 HZ3 TRP 36 -1.104 -19.187 2.952 271 HH2 TRP 36 HH2 TRP 36 -0.965 -21.579 3.424 272 H ARG 37 H ARG 37 -6.164 -17.979 -2.708 273 HA ARG 37 HA ARG 37 -5.516 -15.968 -4.564 274 1HB ARG 37 1HB ARG 37 -8.181 -17.081 -3.683 275 2HB ARG 37 2HB ARG 37 -7.995 -15.955 -5.022 276 1HG ARG 37 1HG ARG 37 -6.758 -17.519 -6.290 277 2HG ARG 37 2HG ARG 37 -6.559 -18.592 -4.904 278 1HD ARG 37 1HD ARG 37 -8.243 -19.450 -6.444 279 2HD ARG 37 2HD ARG 37 -8.959 -19.032 -4.889 280 HE ARG 37 HE ARG 37 -9.234 -16.814 -6.534 281 1HH1 ARG 37 1HH1 ARG 37 -10.330 -20.122 -6.438 282 2HH1 ARG 37 2HH1 ARG 37 -11.809 -19.792 -7.275 283 1HH2 ARG 37 1HH2 ARG 37 -11.183 -16.371 -7.638 284 2HH2 ARG 37 2HH2 ARG 37 -12.293 -17.661 -7.957 285 H ILE 38 H ILE 38 -7.421 -15.871 -1.570 286 HA ILE 38 HA ILE 38 -8.110 -13.131 -1.768 287 HB ILE 38 HB ILE 38 -7.871 -14.724 0.783 288 1HG1 ILE 38 1HG1 ILE 38 -9.223 -15.993 -0.796 289 2HG1 ILE 38 2HG1 ILE 38 -10.258 -15.299 0.447 290 1HG2 ILE 38 1HG2 ILE 38 -9.641 -13.203 1.564 291 2HG2 ILE 38 2HG2 ILE 38 -9.556 -12.340 0.028 292 3HG2 ILE 38 3HG2 ILE 38 -8.168 -12.343 1.115 293 1HD1 ILE 38 1HD1 ILE 38 -10.852 -13.489 -1.130 294 2HD1 ILE 38 2HD1 ILE 38 -11.328 -15.094 -1.684 295 3HD1 ILE 38 3HD1 ILE 38 -9.905 -14.310 -2.372 296 H ARG 39 H ARG 39 -5.405 -14.858 -0.348 297 HA ARG 39 HA ARG 39 -4.282 -12.706 1.092 298 1HB ARG 39 1HB ARG 39 -3.549 -14.889 1.647 299 2HB ARG 39 2HB ARG 39 -3.152 -15.268 -0.021 300 1HG ARG 39 1HG ARG 39 -1.113 -14.983 1.143 301 2HG ARG 39 2HG ARG 39 -1.324 -13.564 0.119 302 1HD ARG 39 1HD ARG 39 -2.055 -13.662 3.039 303 2HD ARG 39 2HD ARG 39 -0.507 -13.083 2.436 304 HE ARG 39 HE ARG 39 -3.103 -11.816 1.847 305 1HH1 ARG 39 1HH1 ARG 39 0.337 -11.654 2.366 306 2HH1 ARG 39 2HH1 ARG 39 0.413 -9.935 2.174 307 1HH2 ARG 39 1HH2 ARG 39 -3.005 -9.557 1.580 308 2HH2 ARG 39 2HH2 ARG 39 -1.483 -8.745 1.722 309 H GLY 40 H GLY 40 -4.015 -13.747 -2.258 310 1HA GLY 40 1HA GLY 40 -1.799 -12.099 -2.937 311 2HA GLY 40 2HA GLY 40 -2.925 -12.831 -4.069 312 H ALA 41 H ALA 41 -5.196 -11.736 -3.947 313 HA ALA 41 HA ALA 41 -5.055 -9.233 -5.040 314 1HB ALA 41 1HB ALA 41 -7.440 -9.039 -4.662 315 2HB ALA 41 2HB ALA 41 -7.374 -10.311 -3.443 316 3HB ALA 41 3HB ALA 41 -7.033 -10.690 -5.131 317 H ALA 42 H ALA 42 -5.241 -10.063 -1.628 318 HA ALA 42 HA ALA 42 -5.858 -7.501 -0.636 319 1HB ALA 42 1HB ALA 42 -5.092 -8.326 1.511 320 2HB ALA 42 2HB ALA 42 -4.282 -9.680 0.726 321 3HB ALA 42 3HB ALA 42 -6.041 -9.568 0.692 322 H ALA 43 H ALA 43 -2.715 -9.166 -0.819 323 HA ALA 43 HA ALA 43 -1.121 -6.983 -0.031 324 1HB ALA 43 1HB ALA 43 0.712 -8.280 -1.156 325 2HB ALA 43 2HB ALA 43 -0.518 -9.436 -1.669 326 3HB ALA 43 3HB ALA 43 -0.217 -9.172 0.049 327 H TRP 44 H TRP 44 -2.590 -7.828 -3.058 328 HA TRP 44 HA TRP 44 -0.909 -6.321 -4.778 329 1HB TRP 44 1HB TRP 44 -3.482 -7.770 -5.007 330 2HB TRP 44 2HB TRP 44 -3.186 -6.515 -6.202 331 HD1 TRP 44 HD1 TRP 44 -1.273 -9.587 -4.787 332 HE1 TRP 44 HE1 TRP 44 0.016 -10.673 -6.731 333 HE3 TRP 44 HE3 TRP 44 -2.521 -6.319 -8.517 334 HZ2 TRP 44 HZ2 TRP 44 0.443 -10.212 -9.483 335 HZ3 TRP 44 HZ3 TRP 44 -1.638 -6.717 -10.779 336 HH2 TRP 44 HH2 TRP 44 -0.188 -8.624 -11.251 337 H ILE 45 H ILE 45 -3.939 -5.574 -3.102 338 HA ILE 45 HA ILE 45 -3.947 -2.905 -4.315 339 HB ILE 45 HB ILE 45 -6.068 -4.183 -2.589 340 1HG1 ILE 45 1HG1 ILE 45 -6.019 -3.884 -5.597 341 2HG1 ILE 45 2HG1 ILE 45 -5.616 -5.374 -4.753 342 1HG2 ILE 45 1HG2 ILE 45 -6.223 -1.785 -2.547 343 2HG2 ILE 45 2HG2 ILE 45 -7.509 -2.413 -3.575 344 3HG2 ILE 45 3HG2 ILE 45 -6.069 -1.702 -4.301 345 1HD1 ILE 45 1HD1 ILE 45 -8.271 -3.967 -4.798 346 2HD1 ILE 45 2HD1 ILE 45 -7.899 -5.349 -3.769 347 3HD1 ILE 45 3HD1 ILE 45 -7.862 -5.521 -5.524 348 H ILE 46 H ILE 46 -3.167 -4.509 -1.403 349 HA ILE 46 HA ILE 46 -3.735 -2.627 0.537 350 HB ILE 46 HB ILE 46 -2.700 -5.015 0.725 351 1HG1 ILE 46 1HG1 ILE 46 -1.708 -2.988 2.709 352 2HG1 ILE 46 2HG1 ILE 46 -3.429 -3.324 2.519 353 1HG2 ILE 46 1HG2 ILE 46 -0.593 -4.481 -0.403 354 2HG2 ILE 46 2HG2 ILE 46 -0.328 -5.040 1.248 355 3HG2 ILE 46 3HG2 ILE 46 -0.210 -3.322 0.869 356 1HD1 ILE 46 1HD1 ILE 46 -2.340 -4.580 4.355 357 2HD1 ILE 46 2HD1 ILE 46 -1.362 -5.412 3.146 358 3HD1 ILE 46 3HD1 ILE 46 -3.115 -5.605 3.147 359 H GLY 47 H GLY 47 -1.026 -2.697 -1.734 360 1HA GLY 47 1HA GLY 47 0.456 -0.623 -0.466 361 2HA GLY 47 2HA GLY 47 0.674 -1.193 -2.111 362 H ASN 48 H ASN 48 -2.350 -0.553 -2.432 363 HA ASN 48 HA ASN 48 -1.943 1.988 -3.640 364 1HB ASN 48 1HB ASN 48 -4.421 0.341 -3.150 365 2HB ASN 48 2HB ASN 48 -4.465 1.899 -3.965 366 1HD2 ASN 48 1HD2 ASN 48 -1.884 -0.467 -4.254 367 2HD2 ASN 48 2HD2 ASN 48 -2.164 -0.839 -5.917 368 H PHE 49 H PHE 49 -2.461 1.172 -0.436 369 HA PHE 49 HA PHE 49 -3.984 3.581 0.187 370 1HB PHE 49 1HB PHE 49 -3.094 1.233 1.854 371 2HB PHE 49 2HB PHE 49 -3.841 2.665 2.556 372 HD1 PHE 49 HD1 PHE 49 -4.372 -0.269 0.428 373 HD2 PHE 49 HD2 PHE 49 -6.181 3.122 2.258 374 HE1 PHE 49 HE1 PHE 49 -6.598 -1.200 -0.055 375 HE2 PHE 49 HE2 PHE 49 -8.408 2.197 1.779 376 HZ PHE 49 HZ PHE 49 -8.620 0.033 0.621 377 H GLN 50 H GLN 50 -0.744 2.386 0.278 378 HA GLN 50 HA GLN 50 1.243 3.336 0.832 379 1HB GLN 50 1HB GLN 50 -0.330 5.916 0.800 380 2HB GLN 50 2HB GLN 50 1.422 5.773 0.733 381 1HG GLN 50 1HG GLN 50 1.094 5.952 -1.474 382 2HG GLN 50 2HG GLN 50 0.746 4.228 -1.349 383 1HE2 GLN 50 1HE2 GLN 50 -0.574 4.308 -3.173 384 2HE2 GLN 50 2HE2 GLN 50 -2.158 4.997 -3.125 385 H ASP 51 H ASP 51 -0.558 2.431 2.929 386 HA ASP 51 HA ASP 51 0.162 4.232 5.139 387 1HB ASP 51 1HB ASP 51 -2.243 3.441 4.803 388 2HB ASP 51 2HB ASP 51 -1.682 1.851 5.314 389 H GLU 52 H GLU 52 0.881 3.198 7.185 390 HA GLU 52 HA GLU 52 3.161 1.614 6.765 391 1HB GLU 52 1HB GLU 52 3.271 1.444 9.223 392 2HB GLU 52 2HB GLU 52 2.978 3.092 8.684 393 1HG GLU 52 1HG GLU 52 0.629 2.881 9.227 394 2HG GLU 52 2HG GLU 52 0.870 1.199 9.695 395 H ARG 53 H ARG 53 -0.124 0.772 7.696 396 HA ARG 53 HA ARG 53 0.401 -1.926 8.389 397 1HB ARG 53 1HB ARG 53 -1.640 -0.718 9.084 398 2HB ARG 53 2HB ARG 53 -2.175 -0.676 7.410 399 1HG ARG 53 1HG ARG 53 -2.567 -2.978 7.354 400 2HG ARG 53 2HG ARG 53 -1.609 -3.266 8.809 401 1HD ARG 53 1HD ARG 53 -4.248 -1.813 8.672 402 2HD ARG 53 2HD ARG 53 -3.994 -3.449 9.274 403 HE ARG 53 HE ARG 53 -2.326 -1.856 10.765 404 1HH1 ARG 53 1HH1 ARG 53 -5.752 -2.011 10.140 405 2HH1 ARG 53 2HH1 ARG 53 -6.193 -1.370 11.687 406 1HH2 ARG 53 1HH2 ARG 53 -2.900 -1.013 12.804 407 2HH2 ARG 53 2HH2 ARG 53 -4.572 -0.800 13.200 408 H ALA 54 H ALA 54 0.560 -0.348 5.459 409 HA ALA 54 HA ALA 54 -0.117 -2.741 3.895 410 1HB ALA 54 1HB ALA 54 -0.050 -1.231 1.943 411 2HB ALA 54 2HB ALA 54 0.314 0.113 3.026 412 3HB ALA 54 3HB ALA 54 -1.231 -0.727 3.152 413 H VAL 55 H VAL 55 2.462 -1.184 5.284 414 HA VAL 55 HA VAL 55 4.395 -1.833 3.210 415 HB VAL 55 HB VAL 55 4.935 -0.716 5.963 416 1HG1 VAL 55 1HG1 VAL 55 6.864 -1.687 4.834 417 2HG1 VAL 55 2HG1 VAL 55 7.010 0.067 4.954 418 3HG1 VAL 55 3HG1 VAL 55 6.551 -0.677 3.422 419 1HG2 VAL 55 1HG2 VAL 55 5.013 1.490 4.864 420 2HG2 VAL 55 2HG2 VAL 55 3.405 0.769 4.814 421 3HG2 VAL 55 3HG2 VAL 55 4.424 0.750 3.376 422 H GLU 56 H GLU 56 3.376 -2.948 6.388 423 HA GLU 56 HA GLU 56 5.511 -4.680 6.922 424 1HB GLU 56 1HB GLU 56 3.767 -4.009 8.568 425 2HB GLU 56 2HB GLU 56 2.633 -5.074 7.749 426 1HG GLU 56 1HG GLU 56 4.359 -6.920 8.186 427 2HG GLU 56 2HG GLU 56 5.067 -5.787 9.336 428 HA PRO 57 HA PRO 57 2.519 -8.108 4.778 429 1HB PRO 57 1HB PRO 57 1.852 -6.199 2.577 430 2HB PRO 57 2HB PRO 57 0.917 -7.564 3.201 431 1HG PRO 57 1HG PRO 57 0.273 -5.076 3.869 432 2HG PRO 57 2HG PRO 57 0.189 -6.383 5.064 433 1HD PRO 57 1HD PRO 57 2.174 -4.190 4.791 434 2HD PRO 57 2HD PRO 57 1.600 -5.022 6.248 435 H LEU 58 H LEU 58 4.007 -5.555 2.819 436 HA LEU 58 HA LEU 58 5.140 -7.157 0.865 437 1HB LEU 58 1HB LEU 58 6.610 -4.745 1.804 438 2HB LEU 58 2HB LEU 58 6.294 -5.288 0.168 439 HG LEU 58 HG LEU 58 4.341 -3.941 2.032 440 1HD1 LEU 58 1HD1 LEU 58 6.057 -2.522 0.917 441 2HD1 LEU 58 2HD1 LEU 58 4.394 -2.131 0.483 442 3HD1 LEU 58 3HD1 LEU 58 5.405 -3.045 -0.636 443 1HD2 LEU 58 1HD2 LEU 58 3.889 -5.025 -0.746 444 2HD2 LEU 58 2HD2 LEU 58 2.749 -4.045 0.176 445 3HD2 LEU 58 3HD2 LEU 58 3.189 -5.655 0.745 446 H ILE 59 H ILE 59 6.313 -6.424 4.091 447 HA ILE 59 HA ILE 59 8.980 -7.160 3.804 448 HB ILE 59 HB ILE 59 7.273 -7.625 6.245 449 1HG1 ILE 59 1HG1 ILE 59 7.096 -5.303 5.445 450 2HG1 ILE 59 2HG1 ILE 59 7.981 -5.392 6.963 451 1HG2 ILE 59 1HG2 ILE 59 9.362 -8.758 6.456 452 2HG2 ILE 59 2HG2 ILE 59 9.446 -7.293 7.434 453 3HG2 ILE 59 3HG2 ILE 59 10.247 -7.353 5.863 454 1HD1 ILE 59 1HD1 ILE 59 9.226 -5.124 4.235 455 2HD1 ILE 59 2HD1 ILE 59 10.080 -5.140 5.778 456 3HD1 ILE 59 3HD1 ILE 59 8.984 -3.814 5.391 457 H LYS 60 H LYS 60 6.363 -9.230 5.103 458 HA LYS 60 HA LYS 60 7.963 -11.578 5.005 459 1HB LYS 60 1HB LYS 60 5.010 -11.849 5.007 460 2HB LYS 60 2HB LYS 60 6.215 -12.667 5.989 461 1HG LYS 60 1HG LYS 60 5.413 -11.376 7.630 462 2HG LYS 60 2HG LYS 60 6.435 -10.128 6.913 463 1HD LYS 60 1HD LYS 60 4.296 -9.150 7.185 464 2HD LYS 60 2HD LYS 60 4.455 -9.518 5.466 465 1HE LYS 60 1HE LYS 60 3.140 -11.540 5.753 466 2HE LYS 60 2HE LYS 60 3.029 -11.246 7.487 467 1HZ LYS 60 1HZ LYS 60 1.857 -9.586 5.324 468 2HZ LYS 60 2HZ LYS 60 1.856 -9.152 6.959 469 3HZ LYS 60 3HZ LYS 60 1.017 -10.530 6.450 470 H LEU 61 H LEU 61 5.561 -10.187 2.875 471 HA LEU 61 HA LEU 61 5.066 -12.338 1.190 472 1HB LEU 61 1HB LEU 61 4.909 -9.382 0.920 473 2HB LEU 61 2HB LEU 61 4.719 -10.365 -0.520 474 HG LEU 61 HG LEU 61 2.725 -11.276 0.193 475 1HD1 LEU 61 1HD1 LEU 61 3.222 -12.203 2.284 476 2HD1 LEU 61 2HD1 LEU 61 1.954 -11.026 2.621 477 3HD1 LEU 61 3HD1 LEU 61 3.633 -10.638 2.981 478 1HD2 LEU 61 1HD2 LEU 61 1.362 -9.410 1.091 479 2HD2 LEU 61 2HD2 LEU 61 2.390 -8.945 -0.261 480 3HD2 LEU 61 3HD2 LEU 61 2.850 -8.513 1.384 481 H LEU 62 H LEU 62 7.516 -9.783 0.806 482 HA LEU 62 HA LEU 62 8.520 -10.681 -1.650 483 1HB LEU 62 1HB LEU 62 9.907 -9.164 0.562 484 2HB LEU 62 2HB LEU 62 10.527 -9.347 -1.068 485 HG LEU 62 HG LEU 62 7.854 -8.069 -0.525 486 1HD1 LEU 62 1HD1 LEU 62 10.491 -6.631 -0.811 487 2HD1 LEU 62 2HD1 LEU 62 9.649 -6.875 0.719 488 3HD1 LEU 62 3HD1 LEU 62 8.902 -5.910 -0.554 489 1HD2 LEU 62 1HD2 LEU 62 9.785 -7.949 -2.841 490 2HD2 LEU 62 2HD2 LEU 62 8.286 -7.029 -2.715 491 3HD2 LEU 62 3HD2 LEU 62 8.235 -8.789 -2.803 492 H GLU 63 H GLU 63 8.576 -12.101 1.353 493 HA GLU 63 HA GLU 63 10.894 -13.780 0.655 494 1HB GLU 63 1HB GLU 63 9.774 -12.981 3.339 495 2HB GLU 63 2HB GLU 63 10.952 -14.264 3.138 496 1HG GLU 63 1HG GLU 63 12.501 -12.636 2.119 497 2HG GLU 63 2HG GLU 63 11.324 -11.364 2.442 498 H ASP 64 H ASP 64 7.546 -13.677 1.010 499 HA ASP 64 HA ASP 64 6.954 -16.200 2.067 500 1HB ASP 64 1HB ASP 64 5.414 -14.147 1.494 501 2HB ASP 64 2HB ASP 64 5.208 -14.999 -0.034 502 H ASP 65 H ASP 65 7.297 -15.144 -1.240 503 HA ASP 65 HA ASP 65 7.909 -16.215 -3.155 504 1HB ASP 65 1HB ASP 65 9.636 -17.280 -1.657 505 2HB ASP 65 2HB ASP 65 8.523 -18.623 -1.433 506 H SER 66 H SER 66 5.215 -16.454 -1.801 507 HA SER 66 HA SER 66 4.223 -18.996 -2.783 508 1HB SER 66 1HB SER 66 2.935 -16.685 -1.344 509 2HB SER 66 2HB SER 66 2.003 -18.042 -1.966 510 HG SER 66 HG SER 66 2.651 -19.185 -0.335 511 H GLY 67 H GLY 67 5.182 -16.515 -4.450 512 1HA GLY 67 1HA GLY 67 4.742 -15.907 -6.636 513 2HA GLY 67 2HA GLY 67 3.366 -16.999 -6.619 514 H PHE 68 H PHE 68 1.352 -16.202 -6.321 515 HA PHE 68 HA PHE 68 0.682 -13.626 -6.934 516 1HB PHE 68 1HB PHE 68 -0.753 -15.814 -6.507 517 2HB PHE 68 2HB PHE 68 -1.011 -15.073 -4.936 518 HD1 PHE 68 HD1 PHE 68 -0.879 -12.171 -6.396 519 HD2 PHE 68 HD2 PHE 68 -3.172 -15.736 -6.841 520 HE1 PHE 68 HE1 PHE 68 -2.734 -10.865 -7.337 521 HE2 PHE 68 HE2 PHE 68 -5.026 -14.428 -7.782 522 HZ PHE 68 HZ PHE 68 -4.808 -11.989 -8.033 523 H VAL 69 H VAL 69 1.452 -14.963 -3.785 524 HA VAL 69 HA VAL 69 0.726 -12.648 -2.284 525 HB VAL 69 HB VAL 69 2.606 -14.844 -1.430 526 1HG1 VAL 69 1HG1 VAL 69 0.891 -12.875 0.064 527 2HG1 VAL 69 2HG1 VAL 69 2.647 -13.039 0.108 528 3HG1 VAL 69 3HG1 VAL 69 1.627 -14.290 0.817 529 1HG2 VAL 69 1HG2 VAL 69 0.640 -16.006 -0.556 530 2HG2 VAL 69 2HG2 VAL 69 0.549 -15.823 -2.306 531 3HG2 VAL 69 3HG2 VAL 69 -0.405 -14.773 -1.260 532 H ARG 70 H ARG 70 3.849 -13.976 -3.386 533 HA ARG 70 HA ARG 70 5.385 -11.866 -2.239 534 1HB ARG 70 1HB ARG 70 6.321 -14.105 -2.710 535 2HB ARG 70 2HB ARG 70 6.156 -13.796 -4.434 536 1HG ARG 70 1HG ARG 70 7.670 -11.809 -4.104 537 2HG ARG 70 2HG ARG 70 7.971 -12.415 -2.476 538 1HD ARG 70 1HD ARG 70 8.294 -14.312 -4.735 539 2HD ARG 70 2HD ARG 70 9.514 -13.055 -4.546 540 HE ARG 70 HE ARG 70 8.926 -14.508 -2.127 541 1HH1 ARG 70 1HH1 ARG 70 10.855 -14.383 -5.024 542 2HH1 ARG 70 2HH1 ARG 70 12.145 -15.331 -4.363 543 1HH2 ARG 70 1HH2 ARG 70 10.625 -15.754 -1.242 544 2HH2 ARG 70 2HH2 ARG 70 12.015 -16.110 -2.213 545 H SER 71 H SER 71 4.812 -12.667 -5.673 546 HA SER 71 HA SER 71 5.863 -10.406 -6.821 547 1HB SER 71 1HB SER 71 4.395 -10.853 -8.745 548 2HB SER 71 2HB SER 71 5.090 -12.348 -8.115 549 HG SER 71 HG SER 71 3.156 -13.020 -7.634 550 H GLY 72 H GLY 72 2.777 -10.780 -5.220 551 1HA GLY 72 1HA GLY 72 1.515 -8.456 -6.179 552 2HA GLY 72 2HA GLY 72 1.152 -9.261 -4.660 553 H ALA 73 H ALA 73 3.680 -8.957 -3.440 554 HA ALA 73 HA ALA 73 3.398 -6.305 -2.431 555 1HB ALA 73 1HB ALA 73 5.196 -6.873 -0.929 556 2HB ALA 73 2HB ALA 73 5.601 -8.289 -1.896 557 3HB ALA 73 3HB ALA 73 4.067 -8.224 -1.030 558 H ALA 74 H ALA 74 5.492 -7.851 -4.756 559 HA ALA 74 HA ALA 74 7.629 -6.088 -4.837 560 1HB ALA 74 1HB ALA 74 7.605 -8.186 -6.060 561 2HB ALA 74 2HB ALA 74 7.966 -6.843 -7.144 562 3HB ALA 74 3HB ALA 74 6.356 -7.563 -7.138 563 H ARG 75 H ARG 75 4.540 -5.896 -6.584 564 HA ARG 75 HA ARG 75 5.235 -3.400 -7.835 565 1HB ARG 75 1HB ARG 75 2.744 -3.468 -8.479 566 2HB ARG 75 2HB ARG 75 3.803 -4.708 -9.139 567 1HG ARG 75 1HG ARG 75 3.034 -6.282 -7.450 568 2HG ARG 75 2HG ARG 75 1.992 -5.038 -6.756 569 1HD ARG 75 1HD ARG 75 0.795 -6.626 -8.244 570 2HD ARG 75 2HD ARG 75 0.675 -4.943 -8.762 571 HE ARG 75 HE ARG 75 2.494 -6.914 -9.994 572 1HH1 ARG 75 1HH1 ARG 75 0.343 -4.173 -10.213 573 2HH1 ARG 75 2HH1 ARG 75 0.527 -4.007 -11.927 574 1HH2 ARG 75 1HH2 ARG 75 2.735 -6.698 -12.246 575 2HH2 ARG 75 2HH2 ARG 75 1.886 -5.441 -13.081 576 H SER 76 H SER 76 3.914 -4.322 -4.821 577 HA SER 76 HA SER 76 2.252 -2.116 -4.291 578 1HB SER 76 1HB SER 76 2.204 -4.140 -2.920 579 2HB SER 76 2HB SER 76 3.845 -3.819 -2.361 580 HG SER 76 HG SER 76 3.126 -2.086 -1.224 581 H LEU 77 H LEU 77 5.722 -2.631 -3.668 582 HA LEU 77 HA LEU 77 6.199 -0.257 -2.270 583 1HB LEU 77 1HB LEU 77 7.968 -1.962 -4.002 584 2HB LEU 77 2HB LEU 77 8.570 -0.513 -3.222 585 HG LEU 77 HG LEU 77 7.635 -1.632 -1.046 586 1HD1 LEU 77 1HD1 LEU 77 8.041 -4.009 -2.853 587 2HD1 LEU 77 2HD1 LEU 77 6.516 -3.484 -2.138 588 3HD1 LEU 77 3HD1 LEU 77 7.818 -4.073 -1.105 589 1HD2 LEU 77 1HD2 LEU 77 9.985 -1.119 -1.485 590 2HD2 LEU 77 2HD2 LEU 77 10.140 -2.615 -2.405 591 3HD2 LEU 77 3HD2 LEU 77 9.803 -2.674 -0.675 592 H GLU 78 H GLU 78 6.895 -0.886 -5.713 593 HA GLU 78 HA GLU 78 7.558 1.665 -6.490 594 1HB GLU 78 1HB GLU 78 7.730 -0.364 -7.906 595 2HB GLU 78 2HB GLU 78 5.986 -0.334 -8.122 596 1HG GLU 78 1HG GLU 78 7.652 2.030 -8.876 597 2HG GLU 78 2HG GLU 78 7.510 0.646 -9.956 598 H GLN 79 H GLN 79 4.337 0.273 -6.139 599 HA GLN 79 HA GLN 79 2.822 2.280 -7.322 600 1HB GLN 79 1HB GLN 79 2.330 0.204 -5.261 601 2HB GLN 79 2HB GLN 79 1.158 1.510 -5.362 602 1HG GLN 79 1HG GLN 79 0.429 0.887 -7.433 603 2HG GLN 79 2HG GLN 79 1.962 0.137 -7.867 604 1HE2 GLN 79 1HE2 GLN 79 0.397 -0.504 -4.829 605 2HE2 GLN 79 2HE2 GLN 79 -0.069 -2.128 -5.183 606 H ILE 80 H ILE 80 4.174 2.102 -4.067 607 HA ILE 80 HA ILE 80 2.914 4.596 -3.287 608 HB ILE 80 HB ILE 80 4.935 2.936 -1.776 609 1HG1 ILE 80 1HG1 ILE 80 1.924 3.001 -1.483 610 2HG1 ILE 80 2HG1 ILE 80 2.809 1.736 -2.324 611 1HG2 ILE 80 1HG2 ILE 80 4.079 4.167 0.187 612 2HG2 ILE 80 2HG2 ILE 80 3.098 5.159 -0.890 613 3HG2 ILE 80 3HG2 ILE 80 4.856 5.223 -0.992 614 1HD1 ILE 80 1HD1 ILE 80 2.124 1.176 0.000 615 2HD1 ILE 80 2HD1 ILE 80 3.235 2.424 0.569 616 3HD1 ILE 80 3HD1 ILE 80 3.853 1.026 -0.313 617 H GLY 81 H GLY 81 6.298 3.443 -3.375 618 1HA GLY 81 1HA GLY 81 8.250 4.541 -3.881 619 2HA GLY 81 2HA GLY 81 7.271 5.691 -4.778 620 H GLY 82 H GLY 82 8.873 5.005 -1.776 621 1HA GLY 82 1HA GLY 82 9.220 7.714 -1.130 622 2HA GLY 82 2HA GLY 82 7.850 7.107 -0.214 623 H GLU 83 H GLU 83 9.501 7.869 1.477 624 HA GLU 83 HA GLU 83 11.780 6.277 2.025 625 1HB GLU 83 1HB GLU 83 11.432 8.581 2.879 626 2HB GLU 83 2HB GLU 83 10.159 7.975 3.929 627 1HG GLU 83 1HG GLU 83 11.795 6.546 5.067 628 2HG GLU 83 2HG GLU 83 13.065 7.202 4.035 629 H ARG 84 H ARG 84 8.411 6.037 2.903 630 HA ARG 84 HA ARG 84 8.622 4.233 5.029 631 1HB ARG 84 1HB ARG 84 6.275 3.710 4.635 632 2HB ARG 84 2HB ARG 84 6.549 5.439 4.520 633 1HG ARG 84 1HG ARG 84 6.312 3.597 2.149 634 2HG ARG 84 2HG ARG 84 4.983 4.534 2.823 635 1HD ARG 84 1HD ARG 84 7.493 5.554 1.506 636 2HD ARG 84 2HD ARG 84 5.826 5.757 0.968 637 HE ARG 84 HE ARG 84 6.444 6.902 3.554 638 1HH1 ARG 84 1HH1 ARG 84 6.192 7.433 0.117 639 2HH1 ARG 84 2HH1 ARG 84 6.032 9.151 0.266 640 1HH2 ARG 84 1HH2 ARG 84 6.236 9.159 3.756 641 2HH2 ARG 84 2HH2 ARG 84 6.058 10.133 2.334 642 H VAL 85 H VAL 85 7.919 3.530 1.596 643 HA VAL 85 HA VAL 85 8.175 0.717 1.946 644 HB VAL 85 HB VAL 85 8.419 0.811 -0.655 645 1HG1 VAL 85 1HG1 VAL 85 5.902 1.679 0.764 646 2HG1 VAL 85 2HG1 VAL 85 6.448 0.018 0.535 647 3HG1 VAL 85 3HG1 VAL 85 5.983 0.994 -0.859 648 1HG2 VAL 85 1HG2 VAL 85 7.378 3.580 -0.061 649 2HG2 VAL 85 2HG2 VAL 85 7.469 2.823 -1.651 650 3HG2 VAL 85 3HG2 VAL 85 8.948 3.200 -0.768 651 H ARG 86 H ARG 86 10.405 3.268 1.472 652 HA ARG 86 HA ARG 86 12.511 2.009 0.163 653 1HB ARG 86 1HB ARG 86 12.177 4.472 1.099 654 2HB ARG 86 2HB ARG 86 13.097 3.838 2.453 655 1HG ARG 86 1HG ARG 86 14.046 3.670 -0.394 656 2HG ARG 86 2HG ARG 86 14.420 5.022 0.674 657 1HD ARG 86 1HD ARG 86 15.447 3.432 2.264 658 2HD ARG 86 2HD ARG 86 15.141 2.128 1.118 659 HE ARG 86 HE ARG 86 16.686 4.353 0.094 660 1HH1 ARG 86 1HH1 ARG 86 16.726 1.186 1.551 661 2HH1 ARG 86 2HH1 ARG 86 18.347 0.837 1.051 662 1HH2 ARG 86 1HH2 ARG 86 18.819 3.900 -0.569 663 2HH2 ARG 86 2HH2 ARG 86 19.538 2.379 -0.152 664 H ALA 87 H ALA 87 11.384 1.765 3.456 665 HA ALA 87 HA ALA 87 13.675 0.349 4.436 666 1HB ALA 87 1HB ALA 87 12.366 0.041 6.464 667 2HB ALA 87 2HB ALA 87 10.921 0.620 5.635 668 3HB ALA 87 3HB ALA 87 12.276 1.714 5.914 669 H ALA 88 H ALA 88 10.742 -0.478 2.816 670 HA ALA 88 HA ALA 88 10.606 -3.207 3.607 671 1HB ALA 88 1HB ALA 88 8.996 -3.449 1.790 672 2HB ALA 88 2HB ALA 88 9.438 -1.855 1.177 673 3HB ALA 88 3HB ALA 88 8.660 -2.009 2.752 674 H MET 89 H MET 89 11.973 -1.571 0.746 675 HA MET 89 HA MET 89 12.763 -4.016 -0.485 676 1HB MET 89 1HB MET 89 14.056 -2.587 -2.041 677 2HB MET 89 2HB MET 89 12.370 -2.130 -1.899 678 1HG MET 89 1HG MET 89 13.663 -0.156 -1.993 679 2HG MET 89 2HG MET 89 13.054 -0.315 -0.347 680 1HE MET 89 1HE MET 89 15.994 -2.539 -1.663 681 2HE MET 89 2HE MET 89 17.388 -1.483 -1.436 682 3HE MET 89 3HE MET 89 16.172 -1.089 -2.650 683 H GLU 90 H GLU 90 14.321 -1.835 1.767 684 HA GLU 90 HA GLU 90 16.933 -2.950 1.363 685 1HB GLU 90 1HB GLU 90 17.600 -1.639 3.304 686 2HB GLU 90 2HB GLU 90 16.639 -0.659 2.207 687 1HG GLU 90 1HG GLU 90 15.776 -0.073 4.243 688 2HG GLU 90 2HG GLU 90 14.665 -1.338 3.723 689 H LYS 91 H LYS 91 14.178 -3.625 3.369 690 HA LYS 91 HA LYS 91 15.529 -5.360 5.194 691 1HB LYS 91 1HB LYS 91 12.967 -4.263 4.992 692 2HB LYS 91 2HB LYS 91 12.718 -5.991 4.796 693 1HG LYS 91 1HG LYS 91 14.144 -4.674 7.098 694 2HG LYS 91 2HG LYS 91 12.494 -5.298 7.123 695 1HD LYS 91 1HD LYS 91 13.384 -7.550 6.597 696 2HD LYS 91 2HD LYS 91 15.019 -6.895 6.700 697 1HE LYS 91 1HE LYS 91 12.989 -6.876 8.930 698 2HE LYS 91 2HE LYS 91 14.319 -8.024 8.775 699 1HZ LYS 91 1HZ LYS 91 14.637 -5.081 9.032 700 2HZ LYS 91 2HZ LYS 91 15.884 -6.223 8.980 701 3HZ LYS 91 3HZ LYS 91 14.824 -6.189 10.297 702 H LEU 92 H LEU 92 14.076 -5.715 2.046 703 HA LEU 92 HA LEU 92 14.241 -8.606 2.147 704 1HB LEU 92 1HB LEU 92 12.430 -8.185 0.871 705 2HB LEU 92 2HB LEU 92 12.988 -6.584 0.429 706 HG LEU 92 HG LEU 92 14.564 -7.710 -1.195 707 1HD1 LEU 92 1HD1 LEU 92 14.476 -9.955 -0.198 708 2HD1 LEU 92 2HD1 LEU 92 14.016 -9.972 -1.900 709 3HD1 LEU 92 3HD1 LEU 92 12.777 -10.079 -0.650 710 1HD2 LEU 92 1HD2 LEU 92 13.000 -7.581 -2.870 711 2HD2 LEU 92 2HD2 LEU 92 12.185 -6.690 -1.585 712 3HD2 LEU 92 3HD2 LEU 92 11.747 -8.368 -1.911 713 H ALA 93 H ALA 93 15.941 -5.845 0.866 714 HA ALA 93 HA ALA 93 17.650 -7.085 -0.958 715 1HB ALA 93 1HB ALA 93 18.267 -4.744 0.840 716 2HB ALA 93 2HB ALA 93 17.440 -4.649 -0.716 717 3HB ALA 93 3HB ALA 93 19.122 -5.176 -0.641 718 H GLU 94 H GLU 94 17.581 -7.120 2.489 719 HA GLU 94 HA GLU 94 20.297 -8.011 2.837 720 1HB GLU 94 1HB GLU 94 19.079 -6.684 4.559 721 2HB GLU 94 2HB GLU 94 17.992 -8.046 4.795 722 1HG GLU 94 1HG GLU 94 19.578 -8.120 6.539 723 2HG GLU 94 2HG GLU 94 19.987 -9.412 5.414 724 H THR 95 H THR 95 17.175 -9.415 2.344 725 HA THR 95 HA THR 95 18.350 -12.111 2.605 726 HB THR 95 HB THR 95 16.118 -12.968 3.156 727 HG1 THR 95 HG1 THR 95 15.410 -10.283 2.699 728 1HG2 THR 95 1HG2 THR 95 16.852 -10.651 4.950 729 2HG2 THR 95 2HG2 THR 95 17.619 -12.239 4.983 730 3HG2 THR 95 3HG2 THR 95 15.914 -12.075 5.401 731 H GLY 96 H GLY 96 18.255 -10.242 0.356 732 1HA GLY 96 1HA GLY 96 16.278 -10.734 -1.508 733 2HA GLY 96 2HA GLY 96 17.933 -10.308 -1.903 734 H THR 97 H THR 97 15.636 -12.411 -2.597 735 HA THR 97 HA THR 97 17.545 -14.385 -3.549 736 HB THR 97 HB THR 97 16.954 -15.368 -1.429 737 HG1 THR 97 HG1 THR 97 16.580 -16.529 -3.730 738 1HG2 THR 97 1HG2 THR 97 14.090 -14.976 -2.300 739 2HG2 THR 97 2HG2 THR 97 14.900 -14.207 -0.934 740 3HG2 THR 97 3HG2 THR 97 14.590 -15.943 -0.912 741 H GLY 98 H GLY 98 17.042 -15.040 -5.547 742 1HA GLY 98 1HA GLY 98 15.892 -15.300 -7.515 743 2HA GLY 98 2HA GLY 98 14.477 -15.596 -6.518 744 H PHE 99 H PHE 99 13.059 -14.516 -7.841 745 HA PHE 99 HA PHE 99 13.410 -12.016 -9.007 746 1HB PHE 99 1HB PHE 99 11.609 -13.407 -9.729 747 2HB PHE 99 2HB PHE 99 10.921 -13.468 -8.112 748 HD1 PHE 99 HD1 PHE 99 9.280 -11.957 -7.472 749 HD2 PHE 99 HD2 PHE 99 11.643 -11.146 -10.917 750 HE1 PHE 99 HE1 PHE 99 7.819 -10.056 -8.021 751 HE2 PHE 99 HE2 PHE 99 10.187 -9.242 -11.472 752 HZ PHE 99 HZ PHE 99 8.272 -8.694 -10.022 753 H ALA 100 H ALA 100 12.571 -12.869 -5.739 754 HA ALA 100 HA ALA 100 11.374 -10.538 -4.831 755 1HB ALA 100 1HB ALA 100 11.594 -12.652 -3.553 756 2HB ALA 100 2HB ALA 100 12.014 -11.215 -2.621 757 3HB ALA 100 3HB ALA 100 13.288 -12.253 -3.261 758 H ARG 101 H ARG 101 14.841 -11.358 -4.734 759 HA ARG 101 HA ARG 101 15.775 -9.003 -3.610 760 1HB ARG 101 1HB ARG 101 17.136 -11.023 -3.948 761 2HB ARG 101 2HB ARG 101 17.128 -10.711 -5.678 762 1HG ARG 101 1HG ARG 101 18.536 -8.879 -5.493 763 2HG ARG 101 2HG ARG 101 18.174 -8.652 -3.781 764 1HD ARG 101 1HD ARG 101 20.415 -9.544 -4.074 765 2HD ARG 101 2HD ARG 101 19.379 -10.713 -3.255 766 HE ARG 101 HE ARG 101 19.262 -11.303 -5.957 767 1HH1 ARG 101 1HH1 ARG 101 21.683 -11.187 -3.456 768 2HH1 ARG 101 2HH1 ARG 101 22.658 -12.431 -4.161 769 1HH2 ARG 101 1HH2 ARG 101 20.538 -12.945 -6.895 770 2HH2 ARG 101 2HH2 ARG 101 22.006 -13.432 -6.116 771 H LYS 102 H LYS 102 15.847 -9.801 -7.087 772 HA LYS 102 HA LYS 102 16.757 -7.445 -8.107 773 1HB LYS 102 1HB LYS 102 16.286 -9.460 -9.447 774 2HB LYS 102 2HB LYS 102 14.563 -9.146 -9.301 775 1HG LYS 102 1HG LYS 102 14.944 -6.962 -10.452 776 2HG LYS 102 2HG LYS 102 16.608 -7.475 -10.740 777 1HD LYS 102 1HD LYS 102 15.355 -7.973 -12.708 778 2HD LYS 102 2HD LYS 102 15.691 -9.502 -11.894 779 1HE LYS 102 1HE LYS 102 13.387 -9.422 -12.690 780 2HE LYS 102 2HE LYS 102 13.448 -9.489 -10.930 781 1HZ LYS 102 1HZ LYS 102 11.823 -7.880 -11.671 782 2HZ LYS 102 2HZ LYS 102 12.993 -7.050 -12.564 783 3HZ LYS 102 3HZ LYS 102 13.090 -7.089 -10.876 784 H VAL 103 H VAL 103 13.581 -8.090 -6.836 785 HA VAL 103 HA VAL 103 12.230 -5.867 -7.918 786 HB VAL 103 HB VAL 103 11.756 -7.679 -5.587 787 1HG1 VAL 103 1HG1 VAL 103 10.958 -5.622 -4.690 788 2HG1 VAL 103 2HG1 VAL 103 9.543 -6.492 -5.281 789 3HG1 VAL 103 3HG1 VAL 103 10.218 -5.162 -6.222 790 1HG2 VAL 103 1HG2 VAL 103 10.157 -7.055 -8.066 791 2HG2 VAL 103 2HG2 VAL 103 9.778 -8.292 -6.867 792 3HG2 VAL 103 3HG2 VAL 103 11.232 -8.436 -7.854 793 H ALA 104 H ALA 104 13.503 -6.330 -4.620 794 HA ALA 104 HA ALA 104 13.025 -3.822 -3.595 795 1HB ALA 104 1HB ALA 104 13.730 -5.416 -2.073 796 2HB ALA 104 2HB ALA 104 15.113 -4.327 -2.174 797 3HB ALA 104 3HB ALA 104 15.134 -5.865 -3.038 798 H VAL 105 H VAL 105 16.140 -4.890 -4.925 799 HA VAL 105 HA VAL 105 17.434 -2.432 -4.800 800 HB VAL 105 HB VAL 105 17.938 -4.750 -6.665 801 1HG1 VAL 105 1HG1 VAL 105 19.721 -2.407 -6.007 802 2HG1 VAL 105 2HG1 VAL 105 18.936 -2.709 -7.557 803 3HG1 VAL 105 3HG1 VAL 105 20.178 -3.814 -6.967 804 1HG2 VAL 105 1HG2 VAL 105 19.620 -5.416 -5.079 805 2HG2 VAL 105 2HG2 VAL 105 18.086 -5.221 -4.230 806 3HG2 VAL 105 3HG2 VAL 105 19.329 -3.976 -4.105 807 H ASN 106 H ASN 106 16.145 -3.953 -7.773 808 HA ASN 106 HA ASN 106 16.599 -1.787 -9.448 809 1HB ASN 106 1HB ASN 106 14.531 -3.975 -9.572 810 2HB ASN 106 2HB ASN 106 14.739 -2.789 -10.857 811 1HD2 ASN 106 1HD2 ASN 106 16.419 -2.970 -12.245 812 2HD2 ASN 106 2HD2 ASN 106 17.551 -4.277 -12.225 813 H TYR 107 H TYR 107 14.008 -2.282 -7.154 814 HA TYR 107 HA TYR 107 12.136 -0.471 -8.201 815 1HB TYR 107 1HB TYR 107 11.224 -1.778 -6.532 816 2HB TYR 107 2HB TYR 107 12.658 -1.670 -5.519 817 HD1 TYR 107 HD1 TYR 107 12.577 -0.365 -3.646 818 HD2 TYR 107 HD2 TYR 107 9.932 0.526 -6.846 819 HE1 TYR 107 HE1 TYR 107 11.540 1.396 -2.282 820 HE2 TYR 107 HE2 TYR 107 8.882 2.290 -5.494 821 HH TYR 107 HH TYR 107 10.245 3.437 -2.594 822 H LEU 108 H LEU 108 15.007 -0.060 -6.280 823 HA LEU 108 HA LEU 108 14.647 2.496 -5.280 824 1HB LEU 108 1HB LEU 108 17.143 1.086 -6.197 825 2HB LEU 108 2HB LEU 108 17.160 2.623 -5.366 826 HG LEU 108 HG LEU 108 16.112 0.027 -4.245 827 1HD1 LEU 108 1HD1 LEU 108 18.525 0.043 -4.386 828 2HD1 LEU 108 2HD1 LEU 108 18.022 0.229 -2.705 829 3HD1 LEU 108 3HD1 LEU 108 18.586 1.629 -3.616 830 1HD2 LEU 108 1HD2 LEU 108 15.904 1.274 -2.137 831 2HD2 LEU 108 2HD2 LEU 108 14.841 1.913 -3.390 832 3HD2 LEU 108 3HD2 LEU 108 16.334 2.759 -2.984 833 H GLU 109 H GLU 109 14.899 1.561 -8.528 834 HA GLU 109 HA GLU 109 16.108 3.983 -9.493 835 1HB GLU 109 1HB GLU 109 15.858 3.107 -11.651 836 2HB GLU 109 2HB GLU 109 16.123 1.692 -10.642 837 1HG GLU 109 1HG GLU 109 13.654 1.355 -10.592 838 2HG GLU 109 2HG GLU 109 13.508 2.666 -11.761 839 H THR 110 H THR 110 13.248 3.634 -8.028 840 HA THR 110 HA THR 110 12.096 5.860 -9.529 841 HB THR 110 HB THR 110 9.837 4.842 -9.507 842 HG1 THR 110 HG1 THR 110 10.858 2.279 -9.213 843 1HG2 THR 110 1HG2 THR 110 10.187 3.329 -11.392 844 2HG2 THR 110 2HG2 THR 110 11.902 3.212 -10.996 845 3HG2 THR 110 3HG2 THR 110 11.224 4.749 -11.535 846 H HIS 111 H HIS 111 13.086 4.851 -6.618 847 HA HIS 111 HA HIS 111 10.797 5.766 -5.074 848 1HB HIS 111 1HB HIS 111 11.887 4.997 -3.159 849 2HB HIS 111 2HB HIS 111 12.430 3.868 -4.397 850 HD1 HIS 111 HD1 HIS 111 14.912 4.223 -5.273 851 HD2 HIS 111 HD2 HIS 111 13.874 6.419 -1.905 852 HE1 HIS 111 HE1 HIS 111 17.088 5.021 -4.297 853 HE2 HIS 111 HE2 HIS 111 16.438 6.293 -2.222 Start of MODEL 32 1 H MET 1 H MET 1 -14.070 10.543 12.839 2 HA MET 1 HA MET 1 -15.757 12.218 13.129 3 1HB MET 1 1HB MET 1 -13.352 12.537 14.933 4 2HB MET 1 2HB MET 1 -14.964 13.125 15.314 5 1HG MET 1 1HG MET 1 -15.813 10.831 15.238 6 2HG MET 1 2HG MET 1 -14.189 10.250 14.876 7 1HE MET 1 1HE MET 1 -15.248 13.136 17.322 8 2HE MET 1 2HE MET 1 -15.360 12.274 18.855 9 3HE MET 1 3HE MET 1 -16.513 11.933 17.565 10 H ALA 2 H ALA 2 -12.542 13.774 13.248 11 HA ALA 2 HA ALA 2 -13.567 15.997 11.680 12 1HB ALA 2 1HB ALA 2 -14.136 16.682 13.931 13 2HB ALA 2 2HB ALA 2 -12.823 17.684 13.313 14 3HB ALA 2 3HB ALA 2 -12.481 16.393 14.464 15 H ASP 3 H ASP 3 -10.913 14.332 13.230 16 HA ASP 3 HA ASP 3 -9.127 15.271 11.123 17 1HB ASP 3 1HB ASP 3 -8.483 15.508 14.069 18 2HB ASP 3 2HB ASP 3 -7.327 15.754 12.764 19 H GLU 4 H GLU 4 -10.471 12.762 12.547 20 HA GLU 4 HA GLU 4 -8.050 11.090 12.410 21 1HB GLU 4 1HB GLU 4 -9.114 11.149 14.644 22 2HB GLU 4 2HB GLU 4 -10.603 10.538 13.934 23 1HG GLU 4 1HG GLU 4 -9.503 8.474 13.322 24 2HG GLU 4 2HG GLU 4 -7.966 9.088 13.929 25 H ASN 5 H ASN 5 -11.574 10.576 12.144 26 HA ASN 5 HA ASN 5 -11.074 8.768 9.893 27 1HB ASN 5 1HB ASN 5 -13.622 9.252 11.456 28 2HB ASN 5 2HB ASN 5 -13.387 8.022 10.218 29 1HD2 ASN 5 1HD2 ASN 5 -14.127 7.745 13.019 30 2HD2 ASN 5 2HD2 ASN 5 -12.939 6.713 13.730 31 H LYS 6 H LYS 6 -10.886 9.900 8.068 32 HA LYS 6 HA LYS 6 -13.153 11.593 7.284 33 1HB LYS 6 1HB LYS 6 -10.244 12.267 6.793 34 2HB LYS 6 2HB LYS 6 -11.628 13.200 6.240 35 1HG LYS 6 1HG LYS 6 -12.222 13.751 8.508 36 2HG LYS 6 2HG LYS 6 -10.945 12.706 9.130 37 1HD LYS 6 1HD LYS 6 -10.154 14.958 9.226 38 2HD LYS 6 2HD LYS 6 -9.292 14.143 7.920 39 1HE LYS 6 1HE LYS 6 -9.964 16.360 7.213 40 2HE LYS 6 2HE LYS 6 -10.848 15.141 6.297 41 1HZ LYS 6 1HZ LYS 6 -11.948 16.504 8.691 42 2HZ LYS 6 2HZ LYS 6 -12.781 15.519 7.597 43 3HZ LYS 6 3HZ LYS 6 -12.217 17.035 7.108 44 H TRP 7 H TRP 7 -12.455 12.240 4.770 45 HA TRP 7 HA TRP 7 -12.886 11.297 2.705 46 1HB TRP 7 1HB TRP 7 -10.679 10.028 2.003 47 2HB TRP 7 2HB TRP 7 -10.684 11.765 2.273 48 HD1 TRP 7 HD1 TRP 7 -9.616 8.494 4.032 49 HE1 TRP 7 HE1 TRP 7 -7.753 9.060 5.712 50 HE3 TRP 7 HE3 TRP 7 -9.652 13.590 3.601 51 HZ2 TRP 7 HZ2 TRP 7 -6.468 11.360 6.724 52 HZ3 TRP 7 HZ3 TRP 7 -8.075 14.898 4.962 53 HH2 TRP 7 HH2 TRP 7 -6.517 13.805 6.492 54 H VAL 8 H VAL 8 -14.603 9.865 3.046 55 HA VAL 8 HA VAL 8 -13.893 7.086 2.630 56 HB VAL 8 HB VAL 8 -13.973 7.145 5.049 57 1HG1 VAL 8 1HG1 VAL 8 -16.016 7.779 6.253 58 2HG1 VAL 8 2HG1 VAL 8 -16.745 8.289 4.731 59 3HG1 VAL 8 3HG1 VAL 8 -15.330 9.135 5.358 60 1HG2 VAL 8 1HG2 VAL 8 -16.470 5.876 3.929 61 2HG2 VAL 8 2HG2 VAL 8 -15.681 5.454 5.450 62 3HG2 VAL 8 3HG2 VAL 8 -14.859 5.161 3.917 63 H ARG 9 H ARG 9 -15.233 6.154 1.238 64 HA ARG 9 HA ARG 9 -16.987 5.765 -0.145 65 1HB ARG 9 1HB ARG 9 -18.440 7.127 2.112 66 2HB ARG 9 2HB ARG 9 -19.281 6.553 0.680 67 1HG ARG 9 1HG ARG 9 -18.540 4.280 1.135 68 2HG ARG 9 2HG ARG 9 -17.648 4.845 2.551 69 1HD ARG 9 1HD ARG 9 -19.694 5.543 3.618 70 2HD ARG 9 2HD ARG 9 -20.623 5.155 2.172 71 HE ARG 9 HE ARG 9 -19.271 2.852 3.054 72 1HH1 ARG 9 1HH1 ARG 9 -21.889 4.958 3.977 73 2HH1 ARG 9 2HH1 ARG 9 -22.768 3.718 4.809 74 1HH2 ARG 9 1HH2 ARG 9 -20.427 1.207 4.146 75 2HH2 ARG 9 2HH2 ARG 9 -21.937 1.588 4.904 76 H ARG 10 H ARG 10 -15.652 8.686 0.219 77 HA ARG 10 HA ARG 10 -17.520 10.328 -1.183 78 1HB ARG 10 1HB ARG 10 -15.640 11.907 -1.430 79 2HB ARG 10 2HB ARG 10 -15.836 11.362 0.229 80 1HG ARG 10 1HG ARG 10 -13.984 9.768 -0.106 81 2HG ARG 10 2HG ARG 10 -13.766 10.407 -1.738 82 1HD ARG 10 1HD ARG 10 -13.499 12.684 -0.647 83 2HD ARG 10 2HD ARG 10 -13.376 11.823 0.886 84 HE ARG 10 HE ARG 10 -11.535 10.648 -0.799 85 1HH1 ARG 10 1HH1 ARG 10 -12.128 13.820 0.513 86 2HH1 ARG 10 2HH1 ARG 10 -10.456 14.274 0.519 87 1HH2 ARG 10 1HH2 ARG 10 -9.328 11.235 -0.797 88 2HH2 ARG 10 2HH2 ARG 10 -8.865 12.804 -0.227 89 H ASP 11 H ASP 11 -18.068 10.100 -3.223 90 HA ASP 11 HA ASP 11 -17.922 9.880 -5.490 91 1HB ASP 11 1HB ASP 11 -15.684 10.983 -5.309 92 2HB ASP 11 2HB ASP 11 -14.964 9.387 -5.120 93 H VAL 12 H VAL 12 -15.824 7.578 -3.770 94 HA VAL 12 HA VAL 12 -16.266 5.429 -5.566 95 HB VAL 12 HB VAL 12 -15.558 5.003 -2.680 96 1HG1 VAL 12 1HG1 VAL 12 -15.727 3.010 -3.971 97 2HG1 VAL 12 2HG1 VAL 12 -14.010 3.330 -3.724 98 3HG1 VAL 12 3HG1 VAL 12 -14.762 3.700 -5.275 99 1HG2 VAL 12 1HG2 VAL 12 -14.255 6.943 -3.360 100 2HG2 VAL 12 2HG2 VAL 12 -13.693 6.081 -4.793 101 3HG2 VAL 12 3HG2 VAL 12 -13.218 5.527 -3.186 102 H SER 13 H SER 13 -17.160 3.264 -4.547 103 HA SER 13 HA SER 13 -19.433 3.615 -2.808 104 1HB SER 13 1HB SER 13 -21.082 2.760 -4.444 105 2HB SER 13 2HB SER 13 -20.410 4.315 -4.934 106 HG SER 13 HG SER 13 -20.541 2.352 -6.474 107 H THR 14 H THR 14 -16.938 1.831 -4.018 108 HA THR 14 HA THR 14 -18.110 -0.788 -3.589 109 HB THR 14 HB THR 14 -15.164 -0.343 -3.900 110 HG1 THR 14 HG1 THR 14 -15.988 0.896 -5.567 111 1HG2 THR 14 1HG2 THR 14 -15.346 -2.453 -5.172 112 2HG2 THR 14 2HG2 THR 14 -17.083 -2.464 -4.870 113 3HG2 THR 14 3HG2 THR 14 -15.953 -2.614 -3.525 114 H ALA 15 H ALA 15 -16.894 -2.340 -2.104 115 HA ALA 15 HA ALA 15 -16.615 -1.003 0.477 116 1HB ALA 15 1HB ALA 15 -16.974 -3.162 1.472 117 2HB ALA 15 2HB ALA 15 -16.845 -3.947 -0.103 118 3HB ALA 15 3HB ALA 15 -18.202 -2.872 0.238 119 H LEU 16 H LEU 16 -14.970 -3.837 -0.969 120 HA LEU 16 HA LEU 16 -12.648 -3.317 0.670 121 1HB LEU 16 1HB LEU 16 -12.991 -5.428 -1.450 122 2HB LEU 16 2HB LEU 16 -11.785 -5.392 -0.178 123 HG LEU 16 HG LEU 16 -14.756 -5.705 0.266 124 1HD1 LEU 16 1HD1 LEU 16 -12.532 -7.736 0.398 125 2HD1 LEU 16 2HD1 LEU 16 -13.792 -7.656 -0.833 126 3HD1 LEU 16 3HD1 LEU 16 -14.216 -8.017 0.841 127 1HD2 LEU 16 1HD2 LEU 16 -12.458 -5.991 2.199 128 2HD2 LEU 16 2HD2 LEU 16 -14.174 -6.179 2.559 129 3HD2 LEU 16 3HD2 LEU 16 -13.536 -4.598 2.111 130 H SER 17 H SER 17 -13.638 -2.380 -2.445 131 HA SER 17 HA SER 17 -11.234 -2.444 -3.868 132 1HB SER 17 1HB SER 17 -13.381 -1.950 -4.935 133 2HB SER 17 2HB SER 17 -13.468 -0.417 -4.068 134 HG SER 17 HG SER 17 -11.593 -1.185 -6.046 135 H ARG 18 H ARG 18 -12.603 0.232 -1.937 136 HA ARG 18 HA ARG 18 -10.129 1.050 -0.895 137 1HB ARG 18 1HB ARG 18 -9.580 1.725 -3.156 138 2HB ARG 18 2HB ARG 18 -11.083 2.628 -3.291 139 1HG ARG 18 1HG ARG 18 -10.325 4.187 -1.593 140 2HG ARG 18 2HG ARG 18 -8.835 3.264 -1.391 141 1HD ARG 18 1HD ARG 18 -9.726 4.628 -3.929 142 2HD ARG 18 2HD ARG 18 -8.517 5.247 -2.806 143 HE ARG 18 HE ARG 18 -7.679 2.716 -3.540 144 1HH1 ARG 18 1HH1 ARG 18 -8.327 5.756 -5.117 145 2HH1 ARG 18 2HH1 ARG 18 -7.160 5.503 -6.371 146 1HH2 ARG 18 1HH2 ARG 18 -6.138 2.375 -5.189 147 2HH2 ARG 18 2HH2 ARG 18 -5.917 3.580 -6.413 148 H MET 19 H MET 19 -10.750 1.873 0.981 149 HA MET 19 HA MET 19 -13.078 3.680 1.031 150 1HB MET 19 1HB MET 19 -12.217 1.643 3.083 151 2HB MET 19 2HB MET 19 -13.402 2.899 3.405 152 1HG MET 19 1HG MET 19 -13.764 1.027 1.106 153 2HG MET 19 2HG MET 19 -14.198 0.537 2.741 154 1HE MET 19 1HE MET 19 -15.120 2.307 -0.408 155 2HE MET 19 2HE MET 19 -14.725 3.821 0.405 156 3HE MET 19 3HE MET 19 -16.401 3.447 0.008 157 H GLY 20 H GLY 20 -9.784 3.286 1.600 158 1HA GLY 20 1HA GLY 20 -8.279 4.992 2.121 159 2HA GLY 20 2HA GLY 20 -9.615 5.961 2.726 160 H ASP 21 H ASP 21 -10.381 3.380 4.280 161 HA ASP 21 HA ASP 21 -8.345 2.902 6.169 162 1HB ASP 21 1HB ASP 21 -8.680 5.199 6.856 163 2HB ASP 21 2HB ASP 21 -10.421 4.953 6.962 164 H GLU 22 H GLU 22 -11.830 3.175 5.655 165 HA GLU 22 HA GLU 22 -12.631 1.299 7.586 166 1HB GLU 22 1HB GLU 22 -14.247 2.806 6.664 167 2HB GLU 22 2HB GLU 22 -13.945 2.225 5.034 168 1HG GLU 22 1HG GLU 22 -14.945 0.110 5.535 169 2HG GLU 22 2HG GLU 22 -15.110 0.543 7.237 170 H ALA 23 H ALA 23 -11.406 0.903 4.337 171 HA ALA 23 HA ALA 23 -12.048 -1.959 4.412 172 1HB ALA 23 1HB ALA 23 -11.033 -0.266 2.132 173 2HB ALA 23 2HB ALA 23 -12.696 -0.792 2.383 174 3HB ALA 23 3HB ALA 23 -11.440 -1.979 2.037 175 H PHE 24 H PHE 24 -9.564 0.032 5.304 176 HA PHE 24 HA PHE 24 -7.273 -1.267 4.335 177 1HB PHE 24 1HB PHE 24 -7.629 0.946 5.773 178 2HB PHE 24 2HB PHE 24 -7.265 -0.154 7.100 179 HD1 PHE 24 HD1 PHE 24 -5.773 2.280 5.495 180 HD2 PHE 24 HD2 PHE 24 -5.258 -1.914 5.951 181 HE1 PHE 24 HE1 PHE 24 -3.377 2.528 5.035 182 HE2 PHE 24 HE2 PHE 24 -2.862 -1.677 5.489 183 HZ PHE 24 HZ PHE 24 -1.912 0.548 5.031 184 H GLU 25 H GLU 25 -8.992 -1.681 7.420 185 HA GLU 25 HA GLU 25 -7.452 -3.840 8.332 186 1HB GLU 25 1HB GLU 25 -9.994 -2.579 9.096 187 2HB GLU 25 2HB GLU 25 -9.818 -4.270 9.538 188 1HG GLU 25 1HG GLU 25 -7.795 -3.784 10.761 189 2HG GLU 25 2HG GLU 25 -7.850 -2.103 10.233 190 HA PRO 26 HA PRO 26 -11.149 -6.722 6.743 191 1HB PRO 26 1HB PRO 26 -11.844 -5.125 4.338 192 2HB PRO 26 2HB PRO 26 -12.891 -6.070 5.399 193 1HG PRO 26 1HG PRO 26 -12.832 -3.381 5.458 194 2HG PRO 26 2HG PRO 26 -13.140 -4.357 6.905 195 1HD PRO 26 1HD PRO 26 -10.722 -2.832 6.129 196 2HD PRO 26 2HD PRO 26 -11.324 -3.251 7.741 197 H LEU 27 H LEU 27 -8.914 -4.768 5.079 198 HA LEU 27 HA LEU 27 -8.335 -6.640 2.960 199 1HB LEU 27 1HB LEU 27 -8.090 -4.529 2.159 200 2HB LEU 27 2HB LEU 27 -7.702 -3.873 3.741 201 HG LEU 27 HG LEU 27 -5.411 -4.842 3.486 202 1HD1 LEU 27 1HD1 LEU 27 -5.739 -6.535 1.856 203 2HD1 LEU 27 2HD1 LEU 27 -4.732 -5.296 1.105 204 3HD1 LEU 27 3HD1 LEU 27 -6.449 -5.391 0.717 205 1HD2 LEU 27 1HD2 LEU 27 -4.644 -3.062 2.015 206 2HD2 LEU 27 2HD2 LEU 27 -5.914 -2.481 3.090 207 3HD2 LEU 27 3HD2 LEU 27 -6.284 -2.844 1.405 208 H LEU 28 H LEU 28 -6.984 -5.501 5.987 209 HA LEU 28 HA LEU 28 -4.530 -6.989 5.730 210 1HB LEU 28 1HB LEU 28 -4.328 -4.967 6.904 211 2HB LEU 28 2HB LEU 28 -5.762 -5.274 7.861 212 HG LEU 28 HG LEU 28 -4.525 -7.080 9.052 213 1HD1 LEU 28 1HD1 LEU 28 -2.069 -7.108 8.856 214 2HD1 LEU 28 2HD1 LEU 28 -2.186 -6.013 7.478 215 3HD1 LEU 28 3HD1 LEU 28 -2.877 -7.633 7.380 216 1HD2 LEU 28 1HD2 LEU 28 -3.248 -4.351 9.144 217 2HD2 LEU 28 2HD2 LEU 28 -3.171 -5.577 10.410 218 3HD2 LEU 28 3HD2 LEU 28 -4.715 -4.834 9.992 219 H GLU 29 H GLU 29 -7.696 -7.570 6.979 220 HA GLU 29 HA GLU 29 -6.942 -9.602 8.839 221 1HB GLU 29 1HB GLU 29 -9.326 -10.076 9.021 222 2HB GLU 29 2HB GLU 29 -9.024 -8.349 9.122 223 1HG GLU 29 1HG GLU 29 -10.815 -8.355 7.731 224 2HG GLU 29 2HG GLU 29 -9.514 -8.444 6.546 225 H SER 30 H SER 30 -7.829 -9.501 5.461 226 HA SER 30 HA SER 30 -8.331 -12.259 5.105 227 1HB SER 30 1HB SER 30 -8.095 -11.805 2.711 228 2HB SER 30 2HB SER 30 -9.056 -10.546 3.488 229 HG SER 30 HG SER 30 -6.272 -10.322 3.007 230 H LEU 31 H LEU 31 -5.418 -10.490 5.509 231 HA LEU 31 HA LEU 31 -3.653 -12.176 4.084 232 1HB LEU 31 1HB LEU 31 -3.209 -10.315 6.413 233 2HB LEU 31 2HB LEU 31 -1.906 -11.170 5.609 234 HG LEU 31 HG LEU 31 -3.748 -9.161 4.306 235 1HD1 LEU 31 1HD1 LEU 31 -2.215 -8.107 5.859 236 2HD1 LEU 31 2HD1 LEU 31 -1.746 -7.751 4.199 237 3HD1 LEU 31 3HD1 LEU 31 -0.855 -8.957 5.128 238 1HD2 LEU 31 1HD2 LEU 31 -1.340 -10.620 3.225 239 2HD2 LEU 31 2HD2 LEU 31 -2.219 -9.333 2.399 240 3HD2 LEU 31 3HD2 LEU 31 -3.017 -10.870 2.736 241 H SER 32 H SER 32 -5.499 -12.815 6.783 242 HA SER 32 HA SER 32 -3.603 -14.821 7.801 243 1HB SER 32 1HB SER 32 -4.962 -14.873 9.832 244 2HB SER 32 2HB SER 32 -4.479 -13.215 9.471 245 HG SER 32 HG SER 32 -6.773 -13.631 10.039 246 H ASN 33 H ASN 33 -5.415 -14.951 5.384 247 HA ASN 33 HA ASN 33 -7.348 -16.988 6.093 248 1HB ASN 33 1HB ASN 33 -6.566 -15.745 3.453 249 2HB ASN 33 2HB ASN 33 -7.777 -17.015 3.604 250 1HD2 ASN 33 1HD2 ASN 33 -8.732 -16.003 6.173 251 2HD2 ASN 33 2HD2 ASN 33 -9.667 -14.598 5.810 252 H GLU 34 H GLU 34 -7.262 -19.146 5.559 253 HA GLU 34 HA GLU 34 -4.695 -20.334 5.421 254 1HB GLU 34 1HB GLU 34 -7.421 -21.563 4.957 255 2HB GLU 34 2HB GLU 34 -5.928 -22.466 5.175 256 1HG GLU 34 1HG GLU 34 -5.702 -21.532 7.428 257 2HG GLU 34 2HG GLU 34 -7.217 -20.657 7.206 258 H ASP 35 H ASP 35 -6.802 -19.108 3.044 259 HA ASP 35 HA ASP 35 -5.773 -20.763 0.895 260 1HB ASP 35 1HB ASP 35 -8.154 -19.920 0.988 261 2HB ASP 35 2HB ASP 35 -7.522 -18.308 0.669 262 H TRP 36 H TRP 36 -4.699 -19.850 -0.976 263 HA TRP 36 HA TRP 36 -2.859 -17.708 -0.193 264 1HB TRP 36 1HB TRP 36 -1.422 -18.542 -2.020 265 2HB TRP 36 2HB TRP 36 -1.796 -19.796 -0.843 266 HD1 TRP 36 HD1 TRP 36 -3.745 -21.614 -1.642 267 HE1 TRP 36 HE1 TRP 36 -4.206 -22.550 -3.996 268 HE3 TRP 36 HE3 TRP 36 -1.361 -18.048 -4.426 269 HZ2 TRP 36 HZ2 TRP 36 -3.638 -21.876 -6.669 270 HZ3 TRP 36 HZ3 TRP 36 -1.366 -18.272 -6.877 271 HH2 TRP 36 HH2 TRP 36 -2.484 -20.148 -7.970 272 H ARG 37 H ARG 37 -5.188 -18.601 -2.667 273 HA ARG 37 HA ARG 37 -4.609 -16.530 -4.493 274 1HB ARG 37 1HB ARG 37 -7.152 -18.079 -3.995 275 2HB ARG 37 2HB ARG 37 -6.937 -16.958 -5.334 276 1HG ARG 37 1HG ARG 37 -5.070 -18.321 -6.155 277 2HG ARG 37 2HG ARG 37 -5.335 -19.458 -4.833 278 1HD ARG 37 1HD ARG 37 -7.274 -18.776 -7.039 279 2HD ARG 37 2HD ARG 37 -6.367 -20.276 -6.868 280 HE ARG 37 HE ARG 37 -7.907 -19.851 -4.553 281 1HH1 ARG 37 1HH1 ARG 37 -8.250 -20.675 -7.917 282 2HH1 ARG 37 2HH1 ARG 37 -9.719 -21.564 -7.686 283 1HH2 ARG 37 1HH2 ARG 37 -9.847 -21.022 -4.235 284 2HH2 ARG 37 2HH2 ARG 37 -10.627 -21.759 -5.594 285 H ILE 38 H ILE 38 -6.924 -16.741 -1.816 286 HA ILE 38 HA ILE 38 -8.128 -14.226 -2.218 287 HB ILE 38 HB ILE 38 -7.799 -15.650 0.423 288 1HG1 ILE 38 1HG1 ILE 38 -10.014 -15.949 -1.619 289 2HG1 ILE 38 2HG1 ILE 38 -8.734 -17.127 -1.352 290 1HG2 ILE 38 1HG2 ILE 38 -9.953 -14.497 0.934 291 2HG2 ILE 38 2HG2 ILE 38 -9.771 -13.602 -0.575 292 3HG2 ILE 38 3HG2 ILE 38 -8.583 -13.410 0.714 293 1HD1 ILE 38 1HD1 ILE 38 -9.525 -17.361 0.989 294 2HD1 ILE 38 2HD1 ILE 38 -10.697 -17.868 -0.227 295 3HD1 ILE 38 3HD1 ILE 38 -10.884 -16.312 0.582 296 H ARG 39 H ARG 39 -5.386 -15.262 -0.242 297 HA ARG 39 HA ARG 39 -4.905 -12.781 1.003 298 1HB ARG 39 1HB ARG 39 -3.958 -14.902 1.814 299 2HB ARG 39 2HB ARG 39 -2.957 -15.009 0.373 300 1HG ARG 39 1HG ARG 39 -1.764 -13.001 1.021 301 2HG ARG 39 2HG ARG 39 -2.800 -12.823 2.438 302 1HD ARG 39 1HD ARG 39 -0.978 -15.164 1.889 303 2HD ARG 39 2HD ARG 39 -0.615 -13.825 2.976 304 HE ARG 39 HE ARG 39 -3.020 -14.853 3.833 305 1HH1 ARG 39 1HH1 ARG 39 0.216 -16.054 3.379 306 2HH1 ARG 39 2HH1 ARG 39 0.114 -17.199 4.674 307 1HH2 ARG 39 1HH2 ARG 39 -3.166 -16.356 5.545 308 2HH2 ARG 39 2HH2 ARG 39 -1.811 -17.371 5.906 309 H GLY 40 H GLY 40 -4.292 -13.938 -2.173 310 1HA GLY 40 1HA GLY 40 -2.087 -12.351 -2.899 311 2HA GLY 40 2HA GLY 40 -3.292 -12.990 -4.007 312 H ALA 41 H ALA 41 -5.516 -11.758 -3.688 313 HA ALA 41 HA ALA 41 -5.261 -9.235 -4.745 314 1HB ALA 41 1HB ALA 41 -7.331 -10.629 -4.716 315 2HB ALA 41 2HB ALA 41 -7.595 -8.928 -4.335 316 3HB ALA 41 3HB ALA 41 -7.581 -10.128 -3.042 317 H ALA 42 H ALA 42 -5.369 -10.188 -1.363 318 HA ALA 42 HA ALA 42 -5.786 -7.689 -0.185 319 1HB ALA 42 1HB ALA 42 -4.778 -8.644 1.817 320 2HB ALA 42 2HB ALA 42 -4.123 -9.977 0.867 321 3HB ALA 42 3HB ALA 42 -5.867 -9.801 1.054 322 H ALA 43 H ALA 43 -2.697 -9.367 -0.749 323 HA ALA 43 HA ALA 43 -1.016 -7.240 -0.007 324 1HB ALA 43 1HB ALA 43 -0.519 -9.511 -1.934 325 2HB ALA 43 2HB ALA 43 -0.234 -9.532 -0.194 326 3HB ALA 43 3HB ALA 43 0.722 -8.474 -1.231 327 H TRP 44 H TRP 44 -2.630 -8.047 -3.003 328 HA TRP 44 HA TRP 44 -1.182 -6.283 -4.691 329 1HB TRP 44 1HB TRP 44 -3.669 -7.910 -4.926 330 2HB TRP 44 2HB TRP 44 -3.390 -6.643 -6.114 331 HD1 TRP 44 HD1 TRP 44 -1.169 -9.452 -4.591 332 HE1 TRP 44 HE1 TRP 44 0.125 -10.563 -6.518 333 HE3 TRP 44 HE3 TRP 44 -2.986 -6.693 -8.494 334 HZ2 TRP 44 HZ2 TRP 44 0.346 -10.311 -9.315 335 HZ3 TRP 44 HZ3 TRP 44 -2.184 -7.196 -10.766 336 HH2 TRP 44 HH2 TRP 44 -0.554 -8.968 -11.167 337 H ILE 45 H ILE 45 -3.965 -5.850 -2.611 338 HA ILE 45 HA ILE 45 -4.509 -3.223 -3.803 339 HB ILE 45 HB ILE 45 -6.074 -4.790 -1.748 340 1HG1 ILE 45 1HG1 ILE 45 -6.703 -4.163 -4.641 341 2HG1 ILE 45 2HG1 ILE 45 -6.116 -5.715 -4.051 342 1HG2 ILE 45 1HG2 ILE 45 -6.696 -2.152 -3.072 343 2HG2 ILE 45 2HG2 ILE 45 -6.362 -2.423 -1.362 344 3HG2 ILE 45 3HG2 ILE 45 -7.827 -3.082 -2.087 345 1HD1 ILE 45 1HD1 ILE 45 -8.132 -5.982 -2.719 346 2HD1 ILE 45 2HD1 ILE 45 -8.521 -5.740 -4.422 347 3HD1 ILE 45 3HD1 ILE 45 -8.716 -4.414 -3.276 348 H ILE 46 H ILE 46 -3.152 -4.719 -1.007 349 HA ILE 46 HA ILE 46 -3.465 -2.662 0.862 350 HB ILE 46 HB ILE 46 -2.543 -5.128 1.085 351 1HG1 ILE 46 1HG1 ILE 46 -1.333 -3.097 2.926 352 2HG1 ILE 46 2HG1 ILE 46 -3.084 -3.261 2.817 353 1HG2 ILE 46 1HG2 ILE 46 -0.155 -5.223 1.455 354 2HG2 ILE 46 2HG2 ILE 46 0.004 -3.518 1.034 355 3HG2 ILE 46 3HG2 ILE 46 -0.489 -4.687 -0.192 356 1HD1 ILE 46 1HD1 ILE 46 -1.276 -5.584 3.392 357 2HD1 ILE 46 2HD1 ILE 46 -3.022 -5.474 3.610 358 3HD1 ILE 46 3HD1 ILE 46 -1.943 -4.550 4.656 359 H GLY 47 H GLY 47 -1.258 -3.016 -1.804 360 1HA GLY 47 1HA GLY 47 0.697 -1.150 -0.956 361 2HA GLY 47 2HA GLY 47 0.404 -1.648 -2.616 362 H ASN 48 H ASN 48 -2.449 -0.763 -2.378 363 HA ASN 48 HA ASN 48 -2.244 1.732 -3.541 364 1HB ASN 48 1HB ASN 48 -4.513 0.426 -2.041 365 2HB ASN 48 2HB ASN 48 -4.681 1.972 -2.860 366 1HD2 ASN 48 1HD2 ASN 48 -2.653 -0.599 -4.066 367 2HD2 ASN 48 2HD2 ASN 48 -3.622 -0.987 -5.441 368 H PHE 49 H PHE 49 -2.678 0.850 -0.154 369 HA PHE 49 HA PHE 49 -2.723 3.624 0.681 370 1HB PHE 49 1HB PHE 49 -2.601 1.151 2.414 371 2HB PHE 49 2HB PHE 49 -3.100 2.769 2.896 372 HD1 PHE 49 HD1 PHE 49 -4.039 -0.176 0.887 373 HD2 PHE 49 HD2 PHE 49 -5.320 3.514 2.574 374 HE1 PHE 49 HE1 PHE 49 -6.371 -0.747 0.353 375 HE2 PHE 49 HE2 PHE 49 -7.654 2.949 2.044 376 HZ PHE 49 HZ PHE 49 -8.183 0.817 0.932 377 H GLN 50 H GLN 50 -0.941 4.736 1.008 378 HA GLN 50 HA GLN 50 1.643 3.455 1.112 379 1HB GLN 50 1HB GLN 50 0.883 6.375 1.298 380 2HB GLN 50 2HB GLN 50 2.522 5.760 1.137 381 1HG GLN 50 1HG GLN 50 1.991 4.837 -1.037 382 2HG GLN 50 2HG GLN 50 0.317 5.365 -0.869 383 1HE2 GLN 50 1HE2 GLN 50 3.602 6.356 -1.423 384 2HE2 GLN 50 2HE2 GLN 50 3.243 7.954 -1.971 385 H ASP 51 H ASP 51 -0.321 3.149 3.318 386 HA ASP 51 HA ASP 51 0.842 4.547 5.562 387 1HB ASP 51 1HB ASP 51 -1.319 2.450 5.343 388 2HB ASP 51 2HB ASP 51 -0.805 3.159 6.868 389 H GLU 52 H GLU 52 1.558 3.336 7.504 390 HA GLU 52 HA GLU 52 3.679 1.580 6.860 391 1HB GLU 52 1HB GLU 52 4.000 1.391 9.285 392 2HB GLU 52 2HB GLU 52 3.774 3.065 8.795 393 1HG GLU 52 1HG GLU 52 1.460 2.986 9.539 394 2HG GLU 52 2HG GLU 52 1.656 1.295 9.997 395 H ARG 53 H ARG 53 0.368 1.059 7.723 396 HA ARG 53 HA ARG 53 0.595 -1.614 8.640 397 1HB ARG 53 1HB ARG 53 -1.361 -0.161 9.088 398 2HB ARG 53 2HB ARG 53 -1.781 -0.227 7.383 399 1HG ARG 53 1HG ARG 53 -2.260 -2.558 7.512 400 2HG ARG 53 2HG ARG 53 -1.617 -2.652 9.154 401 1HD ARG 53 1HD ARG 53 -4.048 -1.101 8.272 402 2HD ARG 53 2HD ARG 53 -4.052 -2.616 9.173 403 HE ARG 53 HE ARG 53 -2.664 -0.359 10.381 404 1HH1 ARG 53 1HH1 ARG 53 -5.516 -2.357 10.238 405 2HH1 ARG 53 2HH1 ARG 53 -6.084 -1.880 11.803 406 1HH2 ARG 53 1HH2 ARG 53 -3.404 0.271 12.444 407 2HH2 ARG 53 2HH2 ARG 53 -4.884 -0.387 13.056 408 H ALA 54 H ALA 54 0.979 -0.262 5.583 409 HA ALA 54 HA ALA 54 0.255 -2.764 4.216 410 1HB ALA 54 1HB ALA 54 0.694 0.008 3.117 411 2HB ALA 54 2HB ALA 54 -0.850 -0.826 3.299 412 3HB ALA 54 3HB ALA 54 0.342 -1.419 2.142 413 H VAL 55 H VAL 55 2.841 -1.228 5.539 414 HA VAL 55 HA VAL 55 4.805 -1.824 3.506 415 HB VAL 55 HB VAL 55 5.171 -0.900 6.358 416 1HG1 VAL 55 1HG1 VAL 55 7.162 -1.981 5.495 417 2HG1 VAL 55 2HG1 VAL 55 7.412 -0.241 5.619 418 3HG1 VAL 55 3HG1 VAL 55 7.100 -0.977 4.047 419 1HG2 VAL 55 1HG2 VAL 55 5.248 0.700 3.803 420 2HG2 VAL 55 2HG2 VAL 55 5.436 1.314 5.445 421 3HG2 VAL 55 3HG2 VAL 55 3.885 0.658 4.921 422 H GLU 56 H GLU 56 3.823 -3.169 6.642 423 HA GLU 56 HA GLU 56 5.918 -5.009 6.913 424 1HB GLU 56 1HB GLU 56 4.432 -4.452 8.766 425 2HB GLU 56 2HB GLU 56 3.085 -5.224 7.940 426 1HG GLU 56 1HG GLU 56 5.456 -6.915 8.332 427 2HG GLU 56 2HG GLU 56 4.618 -6.424 9.806 428 HA PRO 57 HA PRO 57 2.653 -8.190 4.766 429 1HB PRO 57 1HB PRO 57 2.005 -6.116 2.712 430 2HB PRO 57 2HB PRO 57 1.034 -7.479 3.280 431 1HG PRO 57 1HG PRO 57 0.551 -4.992 4.127 432 2HG PRO 57 2HG PRO 57 0.385 -6.384 5.211 433 1HD PRO 57 1HD PRO 57 2.463 -4.278 5.149 434 2HD PRO 57 2HD PRO 57 1.908 -5.281 6.503 435 H LEU 58 H LEU 58 4.081 -5.603 2.805 436 HA LEU 58 HA LEU 58 5.097 -7.054 0.721 437 1HB LEU 58 1HB LEU 58 6.575 -4.754 1.980 438 2HB LEU 58 2HB LEU 58 6.568 -5.232 0.293 439 HG LEU 58 HG LEU 58 4.208 -4.083 1.787 440 1HD1 LEU 58 1HD1 LEU 58 6.023 -2.839 -0.273 441 2HD1 LEU 58 2HD1 LEU 58 5.967 -2.434 1.442 442 3HD1 LEU 58 3HD1 LEU 58 4.575 -2.100 0.411 443 1HD2 LEU 58 1HD2 LEU 58 4.562 -4.749 -1.131 444 2HD2 LEU 58 2HD2 LEU 58 3.164 -3.950 -0.415 445 3HD2 LEU 58 3HD2 LEU 58 3.541 -5.618 0.014 446 H ILE 59 H ILE 59 6.535 -6.630 3.921 447 HA ILE 59 HA ILE 59 9.100 -7.577 3.328 448 HB ILE 59 HB ILE 59 7.630 -7.833 5.945 449 1HG1 ILE 59 1HG1 ILE 59 7.671 -5.514 5.124 450 2HG1 ILE 59 2HG1 ILE 59 8.700 -5.708 6.539 451 1HG2 ILE 59 1HG2 ILE 59 9.935 -7.790 6.899 452 2HG2 ILE 59 2HG2 ILE 59 10.560 -7.950 5.257 453 3HG2 ILE 59 3HG2 ILE 59 9.567 -9.232 5.952 454 1HD1 ILE 59 1HD1 ILE 59 10.671 -5.711 5.152 455 2HD1 ILE 59 2HD1 ILE 59 9.697 -4.283 4.802 456 3HD1 ILE 59 3HD1 ILE 59 9.680 -5.655 3.694 457 H LYS 60 H LYS 60 6.500 -9.414 4.970 458 HA LYS 60 HA LYS 60 7.911 -11.884 4.690 459 1HB LYS 60 1HB LYS 60 5.892 -12.915 5.620 460 2HB LYS 60 2HB LYS 60 6.409 -11.525 6.564 461 1HG LYS 60 1HG LYS 60 4.487 -10.459 6.227 462 2HG LYS 60 2HG LYS 60 4.502 -10.812 4.498 463 1HD LYS 60 1HD LYS 60 3.580 -13.003 4.889 464 2HD LYS 60 2HD LYS 60 3.692 -12.777 6.637 465 1HE LYS 60 1HE LYS 60 2.097 -10.911 6.477 466 2HE LYS 60 2HE LYS 60 1.965 -11.186 4.741 467 1HZ LYS 60 1HZ LYS 60 0.140 -12.206 5.965 468 2HZ LYS 60 2HZ LYS 60 1.232 -13.145 6.850 469 3HZ LYS 60 3HZ LYS 60 1.076 -13.380 5.182 470 H LEU 61 H LEU 61 6.217 -10.105 2.467 471 HA LEU 61 HA LEU 61 5.004 -12.358 1.097 472 1HB LEU 61 1HB LEU 61 4.877 -9.421 0.909 473 2HB LEU 61 2HB LEU 61 4.659 -10.293 -0.594 474 HG LEU 61 HG LEU 61 2.675 -11.268 0.094 475 1HD1 LEU 61 1HD1 LEU 61 3.430 -12.218 2.198 476 2HD1 LEU 61 2HD1 LEU 61 1.901 -11.371 2.425 477 3HD1 LEU 61 3HD1 LEU 61 3.409 -10.624 2.949 478 1HD2 LEU 61 1HD2 LEU 61 2.788 -8.589 1.465 479 2HD2 LEU 61 2HD2 LEU 61 1.312 -9.464 1.063 480 3HD2 LEU 61 3HD2 LEU 61 2.376 -8.891 -0.222 481 H LEU 62 H LEU 62 7.585 -9.995 0.446 482 HA LEU 62 HA LEU 62 8.224 -10.903 -2.132 483 1HB LEU 62 1HB LEU 62 10.053 -9.644 -0.087 484 2HB LEU 62 2HB LEU 62 10.339 -9.727 -1.816 485 HG LEU 62 HG LEU 62 7.877 -8.366 -0.804 486 1HD1 LEU 62 1HD1 LEU 62 9.548 -7.333 0.535 487 2HD1 LEU 62 2HD1 LEU 62 9.199 -6.237 -0.802 488 3HD1 LEU 62 3HD1 LEU 62 10.660 -7.222 -0.826 489 1HD2 LEU 62 1HD2 LEU 62 8.175 -8.792 -3.207 490 2HD2 LEU 62 2HD2 LEU 62 9.682 -7.876 -3.172 491 3HD2 LEU 62 3HD2 LEU 62 8.150 -7.068 -2.836 492 H GLU 63 H GLU 63 8.510 -12.415 0.818 493 HA GLU 63 HA GLU 63 10.636 -14.193 -0.166 494 1HB GLU 63 1HB GLU 63 10.912 -14.760 2.284 495 2HB GLU 63 2HB GLU 63 11.402 -13.144 1.806 496 1HG GLU 63 1HG GLU 63 9.289 -12.257 2.646 497 2HG GLU 63 2HG GLU 63 8.809 -13.879 3.142 498 H ASP 64 H ASP 64 7.344 -13.940 0.620 499 HA ASP 64 HA ASP 64 6.773 -16.517 1.554 500 1HB ASP 64 1HB ASP 64 5.183 -14.612 1.634 501 2HB ASP 64 2HB ASP 64 4.984 -14.744 -0.111 502 H ASP 65 H ASP 65 7.323 -15.291 -1.611 503 HA ASP 65 HA ASP 65 7.423 -16.231 -3.687 504 1HB ASP 65 1HB ASP 65 8.202 -18.675 -2.086 505 2HB ASP 65 2HB ASP 65 8.506 -18.426 -3.803 506 H SER 66 H SER 66 4.807 -16.408 -2.280 507 HA SER 66 HA SER 66 3.710 -18.940 -3.186 508 1HB SER 66 1HB SER 66 2.931 -17.945 -1.065 509 2HB SER 66 2HB SER 66 2.303 -16.561 -1.956 510 HG SER 66 HG SER 66 1.449 -19.258 -2.106 511 H GLY 67 H GLY 67 4.637 -16.381 -4.856 512 1HA GLY 67 1HA GLY 67 4.166 -15.846 -7.069 513 2HA GLY 67 2HA GLY 67 2.751 -16.886 -6.990 514 H PHE 68 H PHE 68 0.774 -16.028 -6.463 515 HA PHE 68 HA PHE 68 0.175 -13.420 -7.112 516 1HB PHE 68 1HB PHE 68 -1.343 -15.507 -6.651 517 2HB PHE 68 2HB PHE 68 -1.424 -14.864 -5.020 518 HD1 PHE 68 HD1 PHE 68 -1.187 -11.979 -6.876 519 HD2 PHE 68 HD2 PHE 68 -3.889 -15.207 -6.181 520 HE1 PHE 68 HE1 PHE 68 -3.074 -10.557 -7.552 521 HE2 PHE 68 HE2 PHE 68 -5.770 -13.780 -6.858 522 HZ PHE 68 HZ PHE 68 -5.364 -11.453 -7.546 523 H VAL 69 H VAL 69 0.838 -14.803 -3.932 524 HA VAL 69 HA VAL 69 0.439 -12.374 -2.487 525 HB VAL 69 HB VAL 69 2.015 -14.763 -1.549 526 1HG1 VAL 69 1HG1 VAL 69 1.125 -14.068 0.659 527 2HG1 VAL 69 2HG1 VAL 69 0.440 -12.638 -0.112 528 3HG1 VAL 69 3HG1 VAL 69 2.187 -12.875 -0.087 529 1HG2 VAL 69 1HG2 VAL 69 -0.083 -15.687 -0.698 530 2HG2 VAL 69 2HG2 VAL 69 -0.113 -15.544 -2.456 531 3HG2 VAL 69 3HG2 VAL 69 -0.975 -14.370 -1.461 532 H ARG 70 H ARG 70 3.332 -14.151 -3.566 533 HA ARG 70 HA ARG 70 5.206 -12.387 -2.396 534 1HB ARG 70 1HB ARG 70 5.621 -14.756 -3.189 535 2HB ARG 70 2HB ARG 70 5.677 -14.114 -4.824 536 1HG ARG 70 1HG ARG 70 7.440 -12.882 -2.773 537 2HG ARG 70 2HG ARG 70 7.861 -14.475 -3.397 538 1HD ARG 70 1HD ARG 70 7.334 -12.043 -5.096 539 2HD ARG 70 2HD ARG 70 8.934 -12.618 -4.632 540 HE ARG 70 HE ARG 70 7.059 -14.046 -6.397 541 1HH1 ARG 70 1HH1 ARG 70 10.271 -13.485 -5.170 542 2HH1 ARG 70 2HH1 ARG 70 11.037 -14.501 -6.345 543 1HH2 ARG 70 1HH2 ARG 70 8.060 -15.387 -7.949 544 2HH2 ARG 70 2HH2 ARG 70 9.781 -15.581 -7.924 545 H SER 71 H SER 71 4.480 -12.799 -5.871 546 HA SER 71 HA SER 71 5.801 -10.537 -6.770 547 1HB SER 71 1HB SER 71 3.317 -11.838 -7.907 548 2HB SER 71 2HB SER 71 4.315 -10.658 -8.757 549 HG SER 71 HG SER 71 6.085 -12.174 -8.426 550 H GLY 72 H GLY 72 2.728 -10.835 -5.195 551 1HA GLY 72 1HA GLY 72 1.493 -8.453 -5.941 552 2HA GLY 72 2HA GLY 72 1.273 -9.255 -4.391 553 H ALA 73 H ALA 73 3.761 -9.066 -3.286 554 HA ALA 73 HA ALA 73 3.765 -6.497 -2.197 555 1HB ALA 73 1HB ALA 73 4.712 -8.425 -1.055 556 2HB ALA 73 2HB ALA 73 5.889 -7.119 -1.168 557 3HB ALA 73 3HB ALA 73 6.009 -8.509 -2.246 558 H ALA 74 H ALA 74 6.107 -7.938 -4.479 559 HA ALA 74 HA ALA 74 7.713 -5.727 -4.881 560 1HB ALA 74 1HB ALA 74 8.145 -8.025 -5.738 561 2HB ALA 74 2HB ALA 74 8.427 -6.755 -6.930 562 3HB ALA 74 3HB ALA 74 6.957 -7.728 -7.007 563 H ARG 75 H ARG 75 4.529 -6.385 -6.052 564 HA ARG 75 HA ARG 75 4.537 -4.354 -8.088 565 1HB ARG 75 1HB ARG 75 3.128 -6.424 -8.173 566 2HB ARG 75 2HB ARG 75 2.186 -5.781 -6.836 567 1HG ARG 75 1HG ARG 75 1.799 -3.747 -8.352 568 2HG ARG 75 2HG ARG 75 2.359 -4.799 -9.655 569 1HD ARG 75 1HD ARG 75 0.615 -6.469 -8.868 570 2HD ARG 75 2HD ARG 75 -0.028 -5.167 -7.861 571 HE ARG 75 HE ARG 75 -0.886 -4.164 -9.740 572 1HH1 ARG 75 1HH1 ARG 75 1.333 -6.682 -10.675 573 2HH1 ARG 75 2HH1 ARG 75 0.909 -6.611 -12.353 574 1HH2 ARG 75 1HH2 ARG 75 -1.451 -4.062 -11.948 575 2HH2 ARG 75 2HH2 ARG 75 -0.672 -5.122 -13.077 576 H SER 76 H SER 76 3.348 -4.692 -4.791 577 HA SER 76 HA SER 76 1.911 -2.265 -4.689 578 1HB SER 76 1HB SER 76 2.777 -2.910 -2.078 579 2HB SER 76 2HB SER 76 1.209 -3.244 -2.812 580 HG SER 76 HG SER 76 1.746 -5.258 -2.725 581 H LEU 77 H LEU 77 5.281 -3.055 -3.994 582 HA LEU 77 HA LEU 77 5.986 -0.753 -2.592 583 1HB LEU 77 1HB LEU 77 7.496 -2.665 -4.315 584 2HB LEU 77 2HB LEU 77 8.285 -1.184 -3.805 585 HG LEU 77 HG LEU 77 7.410 -2.001 -1.418 586 1HD1 LEU 77 1HD1 LEU 77 7.812 -4.479 -1.302 587 2HD1 LEU 77 2HD1 LEU 77 7.674 -4.503 -3.061 588 3HD1 LEU 77 3HD1 LEU 77 6.307 -3.985 -2.076 589 1HD2 LEU 77 1HD2 LEU 77 9.718 -1.473 -2.016 590 2HD2 LEU 77 2HD2 LEU 77 9.884 -3.056 -2.775 591 3HD2 LEU 77 3HD2 LEU 77 9.619 -2.935 -1.035 592 H GLU 78 H GLU 78 6.441 -1.337 -6.081 593 HA GLU 78 HA GLU 78 7.303 1.142 -6.857 594 1HB GLU 78 1HB GLU 78 5.505 -0.788 -8.313 595 2HB GLU 78 2HB GLU 78 6.194 0.641 -9.070 596 1HG GLU 78 1HG GLU 78 8.449 -0.213 -8.558 597 2HG GLU 78 2HG GLU 78 7.718 -1.671 -7.892 598 H GLN 79 H GLN 79 4.083 0.246 -5.896 599 HA GLN 79 HA GLN 79 2.732 2.469 -7.049 600 1HB GLN 79 1HB GLN 79 1.922 0.777 -4.681 601 2HB GLN 79 2HB GLN 79 0.868 1.842 -5.598 602 1HG GLN 79 1HG GLN 79 1.051 0.467 -7.540 603 2HG GLN 79 2HG GLN 79 2.293 -0.524 -6.778 604 1HE2 GLN 79 1HE2 GLN 79 1.104 -2.404 -7.047 605 2HE2 GLN 79 2HE2 GLN 79 -0.297 -2.756 -6.100 606 H ILE 80 H ILE 80 4.076 1.836 -3.832 607 HA ILE 80 HA ILE 80 3.164 4.268 -2.678 608 HB ILE 80 HB ILE 80 5.485 2.566 -1.769 609 1HG1 ILE 80 1HG1 ILE 80 2.569 2.371 -0.978 610 2HG1 ILE 80 2HG1 ILE 80 3.381 1.264 -2.078 611 1HG2 ILE 80 1HG2 ILE 80 3.707 4.488 -0.271 612 2HG2 ILE 80 2HG2 ILE 80 5.388 4.767 -0.725 613 3HG2 ILE 80 3HG2 ILE 80 4.987 3.502 0.437 614 1HD1 ILE 80 1HD1 ILE 80 4.122 1.699 0.805 615 2HD1 ILE 80 2HD1 ILE 80 4.852 0.536 -0.303 616 3HD1 ILE 80 3HD1 ILE 80 3.166 0.355 0.182 617 H GLY 81 H GLY 81 6.491 3.253 -3.517 618 1HA GLY 81 1HA GLY 81 8.356 4.487 -4.042 619 2HA GLY 81 2HA GLY 81 7.245 5.510 -4.938 620 H GLY 82 H GLY 82 8.974 5.071 -1.934 621 1HA GLY 82 1HA GLY 82 9.284 7.811 -1.453 622 2HA GLY 82 2HA GLY 82 7.917 7.255 -0.500 623 H GLU 83 H GLU 83 9.555 8.119 1.161 624 HA GLU 83 HA GLU 83 11.819 6.502 1.786 625 1HB GLU 83 1HB GLU 83 11.556 8.916 2.397 626 2HB GLU 83 2HB GLU 83 10.360 8.438 3.591 627 1HG GLU 83 1HG GLU 83 13.108 7.265 3.640 628 2HG GLU 83 2HG GLU 83 12.796 8.858 4.327 629 H ARG 84 H ARG 84 8.458 6.368 2.594 630 HA ARG 84 HA ARG 84 8.687 4.749 4.913 631 1HB ARG 84 1HB ARG 84 6.302 4.415 4.733 632 2HB ARG 84 2HB ARG 84 6.669 6.096 4.390 633 1HG ARG 84 1HG ARG 84 6.213 4.037 2.243 634 2HG ARG 84 2HG ARG 84 4.931 5.033 2.927 635 1HD ARG 84 1HD ARG 84 7.362 5.968 1.407 636 2HD ARG 84 2HD ARG 84 5.678 6.054 0.895 637 HE ARG 84 HE ARG 84 6.226 7.462 3.344 638 1HH1 ARG 84 1HH1 ARG 84 6.196 7.669 -0.136 639 2HH1 ARG 84 2HH1 ARG 84 5.986 9.388 -0.158 640 1HH2 ARG 84 1HH2 ARG 84 5.942 9.720 3.323 641 2HH2 ARG 84 2HH2 ARG 84 5.840 10.555 1.808 642 H VAL 85 H VAL 85 7.898 4.016 1.537 643 HA VAL 85 HA VAL 85 7.845 1.193 1.885 644 HB VAL 85 HB VAL 85 6.706 2.354 0.046 645 1HG1 VAL 85 1HG1 VAL 85 8.444 4.052 -0.342 646 2HG1 VAL 85 2HG1 VAL 85 7.908 3.261 -1.824 647 3HG1 VAL 85 3HG1 VAL 85 9.448 2.811 -1.092 648 1HG2 VAL 85 1HG2 VAL 85 7.198 -0.010 -0.204 649 2HG2 VAL 85 2HG2 VAL 85 8.793 0.373 -0.851 650 3HG2 VAL 85 3HG2 VAL 85 7.346 0.806 -1.761 651 H ARG 86 H ARG 86 10.271 3.545 1.306 652 HA ARG 86 HA ARG 86 12.330 2.229 0.087 653 1HB ARG 86 1HB ARG 86 12.075 4.429 1.986 654 2HB ARG 86 2HB ARG 86 13.618 3.598 2.119 655 1HG ARG 86 1HG ARG 86 12.462 4.919 -0.324 656 2HG ARG 86 2HG ARG 86 13.853 5.448 0.623 657 1HD ARG 86 1HD ARG 86 14.967 4.382 -1.044 658 2HD ARG 86 2HD ARG 86 14.686 2.993 0.007 659 HE ARG 86 HE ARG 86 13.164 2.169 -1.520 660 1HH1 ARG 86 1HH1 ARG 86 14.131 5.398 -2.371 661 2HH1 ARG 86 2HH1 ARG 86 13.356 5.365 -3.917 662 1HH2 ARG 86 1HH2 ARG 86 12.121 2.115 -3.552 663 2HH2 ARG 86 2HH2 ARG 86 12.206 3.499 -4.589 664 H ALA 87 H ALA 87 11.330 1.992 3.444 665 HA ALA 87 HA ALA 87 13.488 0.470 4.408 666 1HB ALA 87 1HB ALA 87 11.914 -0.163 6.238 667 2HB ALA 87 2HB ALA 87 10.635 0.669 5.352 668 3HB ALA 87 3HB ALA 87 12.029 1.572 5.944 669 H ALA 88 H ALA 88 10.592 -0.428 2.675 670 HA ALA 88 HA ALA 88 10.534 -3.166 3.236 671 1HB ALA 88 1HB ALA 88 8.706 -1.932 2.137 672 2HB ALA 88 2HB ALA 88 9.156 -3.400 1.270 673 3HB ALA 88 3HB ALA 88 9.685 -1.826 0.673 674 H MET 89 H MET 89 11.980 -1.527 0.389 675 HA MET 89 HA MET 89 13.130 -3.927 -0.592 676 1HB MET 89 1HB MET 89 14.224 -2.598 -2.238 677 2HB MET 89 2HB MET 89 12.619 -1.938 -2.005 678 1HG MET 89 1HG MET 89 14.034 -0.107 -2.210 679 2HG MET 89 2HG MET 89 13.695 -0.229 -0.482 680 1HE MET 89 1HE MET 89 15.946 1.510 -1.767 681 2HE MET 89 2HE MET 89 17.399 1.156 -0.834 682 3HE MET 89 3HE MET 89 15.867 1.425 -0.007 683 H GLU 90 H GLU 90 14.170 -1.580 1.734 684 HA GLU 90 HA GLU 90 16.941 -2.280 1.656 685 1HB GLU 90 1HB GLU 90 15.264 -0.852 3.722 686 2HB GLU 90 2HB GLU 90 16.990 -1.125 3.913 687 1HG GLU 90 1HG GLU 90 17.351 0.107 1.779 688 2HG GLU 90 2HG GLU 90 15.632 0.495 1.777 689 H LYS 91 H LYS 91 14.118 -3.386 3.405 690 HA LYS 91 HA LYS 91 15.605 -5.112 5.166 691 1HB LYS 91 1HB LYS 91 13.466 -4.187 5.891 692 2HB LYS 91 2HB LYS 91 12.646 -4.966 4.544 693 1HG LYS 91 1HG LYS 91 12.254 -6.190 6.588 694 2HG LYS 91 2HG LYS 91 13.221 -7.161 5.477 695 1HD LYS 91 1HD LYS 91 15.257 -6.426 6.713 696 2HD LYS 91 2HD LYS 91 14.204 -5.623 7.880 697 1HE LYS 91 1HE LYS 91 14.179 -8.569 7.232 698 2HE LYS 91 2HE LYS 91 14.932 -7.842 8.650 699 1HZ LYS 91 1HZ LYS 91 12.039 -7.841 7.983 700 2HZ LYS 91 2HZ LYS 91 12.717 -6.998 9.283 701 3HZ LYS 91 3HZ LYS 91 12.789 -8.687 9.242 702 H LEU 92 H LEU 92 14.221 -5.325 2.003 703 HA LEU 92 HA LEU 92 14.317 -8.221 1.960 704 1HB LEU 92 1HB LEU 92 12.577 -7.709 0.632 705 2HB LEU 92 2HB LEU 92 13.160 -6.086 0.327 706 HG LEU 92 HG LEU 92 14.804 -7.145 -1.306 707 1HD1 LEU 92 1HD1 LEU 92 14.243 -9.315 -2.193 708 2HD1 LEU 92 2HD1 LEU 92 12.876 -9.454 -1.088 709 3HD1 LEU 92 3HD1 LEU 92 14.522 -9.457 -0.457 710 1HD2 LEU 92 1HD2 LEU 92 13.289 -6.908 -3.058 711 2HD2 LEU 92 2HD2 LEU 92 12.573 -5.939 -1.770 712 3HD2 LEU 92 3HD2 LEU 92 11.946 -7.551 -2.113 713 H ALA 93 H ALA 93 16.188 -5.471 0.925 714 HA ALA 93 HA ALA 93 17.870 -6.679 -0.949 715 1HB ALA 93 1HB ALA 93 18.614 -4.476 0.971 716 2HB ALA 93 2HB ALA 93 17.732 -4.244 -0.540 717 3HB ALA 93 3HB ALA 93 19.388 -4.848 -0.570 718 H GLU 94 H GLU 94 17.880 -6.800 2.549 719 HA GLU 94 HA GLU 94 20.515 -7.961 2.703 720 1HB GLU 94 1HB GLU 94 20.013 -8.271 5.093 721 2HB GLU 94 2HB GLU 94 19.695 -6.622 4.572 722 1HG GLU 94 1HG GLU 94 17.322 -7.072 4.491 723 2HG GLU 94 2HG GLU 94 17.605 -8.759 4.916 724 H THR 95 H THR 95 17.250 -9.022 2.371 725 HA THR 95 HA THR 95 18.086 -11.832 2.682 726 HB THR 95 HB THR 95 15.602 -12.317 2.659 727 HG1 THR 95 HG1 THR 95 14.210 -10.586 2.972 728 1HG2 THR 95 1HG2 THR 95 16.765 -10.611 4.866 729 2HG2 THR 95 2HG2 THR 95 16.783 -12.371 4.749 730 3HG2 THR 95 3HG2 THR 95 15.261 -11.520 5.013 731 H GLY 96 H GLY 96 18.445 -9.901 0.411 732 1HA GLY 96 1HA GLY 96 16.823 -10.277 -1.746 733 2HA GLY 96 2HA GLY 96 18.566 -10.112 -1.867 734 H THR 97 H THR 97 15.929 -12.110 -2.383 735 HA THR 97 HA THR 97 17.702 -14.324 -3.116 736 HB THR 97 HB THR 97 15.969 -15.933 -2.239 737 HG1 THR 97 HG1 THR 97 15.066 -13.684 -0.753 738 1HG2 THR 97 1HG2 THR 97 18.020 -15.628 -1.009 739 2HG2 THR 97 2HG2 THR 97 16.679 -15.730 0.132 740 3HG2 THR 97 3HG2 THR 97 17.392 -14.165 -0.255 741 H GLY 98 H GLY 98 17.272 -15.079 -5.098 742 1HA GLY 98 1HA GLY 98 16.266 -15.321 -7.147 743 2HA GLY 98 2HA GLY 98 14.773 -15.499 -6.239 744 H PHE 99 H PHE 99 13.475 -14.402 -7.646 745 HA PHE 99 HA PHE 99 14.024 -11.971 -8.913 746 1HB PHE 99 1HB PHE 99 12.212 -13.197 -9.759 747 2HB PHE 99 2HB PHE 99 11.490 -13.411 -8.170 748 HD1 PHE 99 HD1 PHE 99 12.142 -10.914 -10.828 749 HD2 PHE 99 HD2 PHE 99 9.869 -11.924 -7.374 750 HE1 PHE 99 HE1 PHE 99 10.647 -9.008 -11.258 751 HE2 PHE 99 HE2 PHE 99 8.370 -10.020 -7.797 752 HZ PHE 99 HZ PHE 99 8.757 -8.558 -9.741 753 H ALA 100 H ALA 100 12.894 -12.667 -5.683 754 HA ALA 100 HA ALA 100 11.748 -10.277 -4.916 755 1HB ALA 100 1HB ALA 100 11.814 -12.302 -3.527 756 2HB ALA 100 2HB ALA 100 12.327 -10.866 -2.641 757 3HB ALA 100 3HB ALA 100 13.527 -12.020 -3.219 758 H ARG 101 H ARG 101 15.197 -11.113 -4.997 759 HA ARG 101 HA ARG 101 16.114 -8.723 -3.793 760 1HB ARG 101 1HB ARG 101 17.497 -10.730 -3.931 761 2HB ARG 101 2HB ARG 101 17.515 -10.597 -5.683 762 1HG ARG 101 1HG ARG 101 18.954 -8.802 -5.676 763 2HG ARG 101 2HG ARG 101 18.515 -8.324 -4.035 764 1HD ARG 101 1HD ARG 101 19.734 -10.159 -3.107 765 2HD ARG 101 2HD ARG 101 20.026 -10.840 -4.707 766 HE ARG 101 HE ARG 101 21.163 -8.397 -4.872 767 1HH1 ARG 101 1HH1 ARG 101 21.448 -10.996 -2.568 768 2HH1 ARG 101 2HH1 ARG 101 23.092 -10.628 -2.163 769 1HH2 ARG 101 1HH2 ARG 101 23.327 -7.907 -4.346 770 2HH2 ARG 101 2HH2 ARG 101 24.159 -8.871 -3.172 771 H LYS 102 H LYS 102 16.124 -9.730 -7.211 772 HA LYS 102 HA LYS 102 17.125 -7.493 -8.412 773 1HB LYS 102 1HB LYS 102 16.453 -9.586 -9.574 774 2HB LYS 102 2HB LYS 102 14.770 -9.102 -9.419 775 1HG LYS 102 1HG LYS 102 15.185 -8.391 -11.535 776 2HG LYS 102 2HG LYS 102 15.639 -6.936 -10.641 777 1HD LYS 102 1HD LYS 102 17.943 -7.423 -10.832 778 2HD LYS 102 2HD LYS 102 17.626 -9.077 -11.366 779 1HE LYS 102 1HE LYS 102 18.290 -7.757 -13.262 780 2HE LYS 102 2HE LYS 102 16.582 -8.168 -13.414 781 1HZ LYS 102 1HZ LYS 102 17.678 -5.568 -12.485 782 2HZ LYS 102 2HZ LYS 102 16.035 -5.956 -12.564 783 3HZ LYS 102 3HZ LYS 102 16.950 -5.865 -13.983 784 H VAL 103 H VAL 103 14.096 -7.872 -6.833 785 HA VAL 103 HA VAL 103 12.739 -5.656 -7.982 786 HB VAL 103 HB VAL 103 12.308 -7.330 -5.529 787 1HG1 VAL 103 1HG1 VAL 103 10.088 -6.115 -5.335 788 2HG1 VAL 103 2HG1 VAL 103 10.787 -4.867 -6.367 789 3HG1 VAL 103 3HG1 VAL 103 11.510 -5.222 -4.799 790 1HG2 VAL 103 1HG2 VAL 103 10.258 -7.973 -6.758 791 2HG2 VAL 103 2HG2 VAL 103 11.742 -8.359 -7.631 792 3HG2 VAL 103 3HG2 VAL 103 10.781 -6.957 -8.101 793 H ALA 104 H ALA 104 14.165 -6.094 -4.732 794 HA ALA 104 HA ALA 104 13.786 -3.557 -3.744 795 1HB ALA 104 1HB ALA 104 15.831 -5.661 -3.218 796 2HB ALA 104 2HB ALA 104 14.528 -5.073 -2.184 797 3HB ALA 104 3HB ALA 104 15.967 -4.088 -2.433 798 H VAL 105 H VAL 105 16.814 -4.705 -5.178 799 HA VAL 105 HA VAL 105 18.194 -2.302 -5.132 800 HB VAL 105 HB VAL 105 18.568 -4.471 -7.192 801 1HG1 VAL 105 1HG1 VAL 105 19.819 -2.447 -7.671 802 2HG1 VAL 105 2HG1 VAL 105 20.913 -3.730 -7.152 803 3HG1 VAL 105 3HG1 VAL 105 20.473 -2.439 -6.034 804 1HG2 VAL 105 1HG2 VAL 105 20.212 -5.405 -5.567 805 2HG2 VAL 105 2HG2 VAL 105 18.534 -5.519 -5.037 806 3HG2 VAL 105 3HG2 VAL 105 19.589 -4.278 -4.362 807 H ASN 106 H ASN 106 16.311 -3.693 -7.823 808 HA ASN 106 HA ASN 106 16.842 -1.527 -9.591 809 1HB ASN 106 1HB ASN 106 16.162 -3.880 -10.238 810 2HB ASN 106 2HB ASN 106 14.522 -3.446 -9.770 811 1HD2 ASN 106 1HD2 ASN 106 15.573 -4.224 -12.366 812 2HD2 ASN 106 2HD2 ASN 106 15.204 -2.926 -13.444 813 H TYR 107 H TYR 107 14.304 -2.153 -7.242 814 HA TYR 107 HA TYR 107 12.399 -0.344 -8.242 815 1HB TYR 107 1HB TYR 107 11.618 -2.021 -6.805 816 2HB TYR 107 2HB TYR 107 12.852 -1.682 -5.599 817 HD1 TYR 107 HD1 TYR 107 11.995 -0.891 -3.695 818 HD2 TYR 107 HD2 TYR 107 10.261 0.382 -7.343 819 HE1 TYR 107 HE1 TYR 107 10.460 0.575 -2.435 820 HE2 TYR 107 HE2 TYR 107 8.720 1.847 -6.119 821 HH TYR 107 HH TYR 107 7.773 2.119 -3.958 822 H LEU 108 H LEU 108 14.858 -0.045 -5.704 823 HA LEU 108 HA LEU 108 14.189 2.478 -4.786 824 1HB LEU 108 1HB LEU 108 16.597 2.627 -4.102 825 2HB LEU 108 2HB LEU 108 15.715 1.236 -3.521 826 HG LEU 108 HG LEU 108 16.774 0.129 -5.686 827 1HD1 LEU 108 1HD1 LEU 108 17.865 2.164 -6.460 828 2HD1 LEU 108 2HD1 LEU 108 19.054 0.931 -6.040 829 3HD1 LEU 108 3HD1 LEU 108 18.752 2.277 -4.941 830 1HD2 LEU 108 1HD2 LEU 108 18.626 -0.653 -4.243 831 2HD2 LEU 108 2HD2 LEU 108 17.050 -0.723 -3.453 832 3HD2 LEU 108 3HD2 LEU 108 18.178 0.575 -3.058 833 H GLU 109 H GLU 109 15.286 1.696 -7.863 834 HA GLU 109 HA GLU 109 16.605 4.242 -8.334 835 1HB GLU 109 1HB GLU 109 16.026 1.894 -10.141 836 2HB GLU 109 2HB GLU 109 16.830 3.362 -10.678 837 1HG GLU 109 1HG GLU 109 17.833 1.564 -8.483 838 2HG GLU 109 2HG GLU 109 18.381 1.514 -10.157 839 H THR 110 H THR 110 13.503 3.542 -7.936 840 HA THR 110 HA THR 110 12.641 5.454 -10.003 841 HB THR 110 HB THR 110 10.391 4.191 -9.924 842 HG1 THR 110 HG1 THR 110 11.361 1.780 -9.640 843 1HG2 THR 110 1HG2 THR 110 12.813 2.980 -11.263 844 2HG2 THR 110 2HG2 THR 110 11.789 4.263 -11.907 845 3HG2 THR 110 3HG2 THR 110 11.138 2.637 -11.694 846 H HIS 111 H HIS 111 11.182 3.792 -7.198 847 HA HIS 111 HA HIS 111 9.736 4.542 -5.615 848 1HB HIS 111 1HB HIS 111 10.638 6.413 -4.214 849 2HB HIS 111 2HB HIS 111 11.767 5.095 -4.492 850 HD1 HIS 111 HD1 HIS 111 11.191 8.705 -5.289 851 HD2 HIS 111 HD2 HIS 111 14.062 5.772 -5.933 852 HE1 HIS 111 HE1 HIS 111 13.215 9.923 -6.149 853 HE2 HIS 111 HE2 HIS 111 14.971 8.140 -6.439 Start of MODEL 33 1 H MET 1 H MET 1 -21.531 11.895 -2.272 2 HA MET 1 HA MET 1 -21.651 10.866 -4.403 3 1HB MET 1 1HB MET 1 -23.791 12.909 -5.035 4 2HB MET 1 2HB MET 1 -23.163 11.680 -6.126 5 1HG MET 1 1HG MET 1 -24.729 11.187 -3.604 6 2HG MET 1 2HG MET 1 -25.329 11.042 -5.255 7 1HE MET 1 1HE MET 1 -26.191 8.543 -4.824 8 2HE MET 1 2HE MET 1 -25.692 8.765 -3.148 9 3HE MET 1 3HE MET 1 -25.200 7.319 -4.029 10 H ALA 2 H ALA 2 -22.405 14.352 -4.301 11 HA ALA 2 HA ALA 2 -20.217 14.988 -6.051 12 1HB ALA 2 1HB ALA 2 -22.316 16.264 -6.082 13 2HB ALA 2 2HB ALA 2 -20.919 17.294 -5.772 14 3HB ALA 2 3HB ALA 2 -21.984 16.830 -4.444 15 H ASP 3 H ASP 3 -18.177 15.124 -5.426 16 HA ASP 3 HA ASP 3 -16.301 15.494 -4.202 17 1HB ASP 3 1HB ASP 3 -17.201 17.787 -4.043 18 2HB ASP 3 2HB ASP 3 -18.079 17.334 -2.586 19 H GLU 4 H GLU 4 -15.718 13.678 -3.201 20 HA GLU 4 HA GLU 4 -15.405 12.127 -1.569 21 1HB GLU 4 1HB GLU 4 -15.071 14.183 -0.179 22 2HB GLU 4 2HB GLU 4 -16.771 14.105 0.262 23 1HG GLU 4 1HG GLU 4 -16.377 11.879 1.252 24 2HG GLU 4 2HG GLU 4 -14.663 12.047 0.879 25 H ASN 5 H ASN 5 -16.542 10.594 -0.130 26 HA ASN 5 HA ASN 5 -18.222 9.119 0.269 27 1HB ASN 5 1HB ASN 5 -19.209 11.141 1.373 28 2HB ASN 5 2HB ASN 5 -20.069 11.484 -0.124 29 1HD2 ASN 5 1HD2 ASN 5 -19.509 8.245 1.046 30 2HD2 ASN 5 2HD2 ASN 5 -21.154 7.894 1.442 31 H LYS 6 H LYS 6 -17.393 9.903 -2.554 32 HA LYS 6 HA LYS 6 -19.777 9.234 -4.082 33 1HB LYS 6 1HB LYS 6 -18.296 10.979 -4.943 34 2HB LYS 6 2HB LYS 6 -16.955 9.843 -4.979 35 1HG LYS 6 1HG LYS 6 -18.206 8.486 -6.629 36 2HG LYS 6 2HG LYS 6 -19.456 9.730 -6.651 37 1HD LYS 6 1HD LYS 6 -16.556 10.203 -7.336 38 2HD LYS 6 2HD LYS 6 -17.828 9.912 -8.521 39 1HE LYS 6 1HE LYS 6 -19.019 11.903 -7.694 40 2HE LYS 6 2HE LYS 6 -17.702 12.203 -6.562 41 1HZ LYS 6 1HZ LYS 6 -16.199 12.421 -8.466 42 2HZ LYS 6 2HZ LYS 6 -17.446 13.563 -8.516 43 3HZ LYS 6 3HZ LYS 6 -17.501 12.207 -9.525 44 H TRP 7 H TRP 7 -16.426 8.038 -4.292 45 HA TRP 7 HA TRP 7 -17.233 5.525 -5.345 46 1HB TRP 7 1HB TRP 7 -14.797 4.908 -4.869 47 2HB TRP 7 2HB TRP 7 -15.080 6.243 -5.979 48 HD1 TRP 7 HD1 TRP 7 -14.993 6.416 -2.103 49 HE1 TRP 7 HE1 TRP 7 -13.175 8.107 -1.431 50 HE3 TRP 7 HE3 TRP 7 -13.127 7.495 -6.740 51 HZ2 TRP 7 HZ2 TRP 7 -11.209 9.685 -2.693 52 HZ3 TRP 7 HZ3 TRP 7 -11.274 9.106 -6.919 53 HH2 TRP 7 HH2 TRP 7 -10.336 10.177 -4.936 54 H VAL 8 H VAL 8 -17.423 6.714 -2.257 55 HA VAL 8 HA VAL 8 -16.616 4.496 -0.699 56 HB VAL 8 HB VAL 8 -18.660 6.628 -0.053 57 1HG1 VAL 8 1HG1 VAL 8 -18.142 6.054 2.306 58 2HG1 VAL 8 2HG1 VAL 8 -17.213 4.671 1.727 59 3HG1 VAL 8 3HG1 VAL 8 -18.949 4.755 1.427 60 1HG2 VAL 8 1HG2 VAL 8 -16.404 7.482 -0.613 61 2HG2 VAL 8 2HG2 VAL 8 -15.738 6.484 0.680 62 3HG2 VAL 8 3HG2 VAL 8 -16.864 7.786 1.062 63 H ARG 9 H ARG 9 -19.480 5.137 -2.565 64 HA ARG 9 HA ARG 9 -20.471 2.481 -1.886 65 1HB ARG 9 1HB ARG 9 -21.551 4.070 -0.279 66 2HB ARG 9 2HB ARG 9 -22.265 4.909 -1.650 67 1HG ARG 9 1HG ARG 9 -23.439 2.834 -2.273 68 2HG ARG 9 2HG ARG 9 -22.767 2.050 -0.844 69 1HD ARG 9 1HD ARG 9 -23.916 3.624 0.594 70 2HD ARG 9 2HD ARG 9 -24.517 4.505 -0.810 71 HE ARG 9 HE ARG 9 -25.276 1.741 -0.804 72 1HH1 ARG 9 1HH1 ARG 9 -26.088 4.913 0.386 73 2HH1 ARG 9 2HH1 ARG 9 -27.766 4.545 0.599 74 1HH2 ARG 9 1HH2 ARG 9 -27.483 1.246 -0.529 75 2HH2 ARG 9 2HH2 ARG 9 -28.560 2.460 0.077 76 H ARG 10 H ARG 10 -19.888 4.847 -4.188 77 HA ARG 10 HA ARG 10 -21.979 4.409 -6.011 78 1HB ARG 10 1HB ARG 10 -20.305 6.162 -6.394 79 2HB ARG 10 2HB ARG 10 -19.046 4.947 -6.565 80 1HG ARG 10 1HG ARG 10 -20.294 4.059 -8.544 81 2HG ARG 10 2HG ARG 10 -21.361 5.457 -8.416 82 1HD ARG 10 1HD ARG 10 -19.569 5.794 -10.067 83 2HD ARG 10 2HD ARG 10 -19.489 6.956 -8.743 84 HE ARG 10 HE ARG 10 -17.802 5.106 -7.872 85 1HH1 ARG 10 1HH1 ARG 10 -18.132 6.508 -11.047 86 2HH1 ARG 10 2HH1 ARG 10 -16.455 6.328 -11.437 87 1HH2 ARG 10 1HH2 ARG 10 -15.596 4.869 -8.381 88 2HH2 ARG 10 2HH2 ARG 10 -15.016 5.395 -9.927 89 H ASP 11 H ASP 11 -22.653 2.372 -6.383 90 HA ASP 11 HA ASP 11 -22.628 0.165 -6.968 91 1HB ASP 11 1HB ASP 11 -21.405 1.204 -8.965 92 2HB ASP 11 2HB ASP 11 -19.912 0.700 -8.178 93 H VAL 12 H VAL 12 -21.721 0.958 -4.447 94 HA VAL 12 HA VAL 12 -19.420 0.297 -3.326 95 HB VAL 12 HB VAL 12 -21.278 0.899 -1.937 96 1HG1 VAL 12 1HG1 VAL 12 -22.449 -1.830 -2.459 97 2HG1 VAL 12 2HG1 VAL 12 -23.013 -0.333 -3.205 98 3HG1 VAL 12 3HG1 VAL 12 -23.139 -0.550 -1.460 99 1HG2 VAL 12 1HG2 VAL 12 -20.321 -1.857 -1.171 100 2HG2 VAL 12 2HG2 VAL 12 -20.993 -0.644 -0.081 101 3HG2 VAL 12 3HG2 VAL 12 -19.448 -0.352 -0.883 102 H SER 13 H SER 13 -21.829 -2.186 -4.166 103 HA SER 13 HA SER 13 -21.607 -4.394 -4.655 104 1HB SER 13 1HB SER 13 -19.966 -3.442 -6.286 105 2HB SER 13 2HB SER 13 -18.695 -3.725 -5.100 106 HG SER 13 HG SER 13 -18.675 -5.752 -5.650 107 H THR 14 H THR 14 -18.304 -4.097 -3.449 108 HA THR 14 HA THR 14 -19.053 -5.809 -1.169 109 HB THR 14 HB THR 14 -16.214 -5.701 -2.030 110 HG1 THR 14 HG1 THR 14 -16.873 -6.104 -4.036 111 1HG2 THR 14 1HG2 THR 14 -18.075 -7.923 -1.175 112 2HG2 THR 14 2HG2 THR 14 -16.894 -7.100 -0.157 113 3HG2 THR 14 3HG2 THR 14 -16.351 -8.108 -1.499 114 H ALA 15 H ALA 15 -16.562 -5.576 0.178 115 HA ALA 15 HA ALA 15 -16.909 -2.904 1.299 116 1HB ALA 15 1HB ALA 15 -15.696 -3.739 3.226 117 2HB ALA 15 2HB ALA 15 -15.359 -5.250 2.382 118 3HB ALA 15 3HB ALA 15 -17.018 -4.830 2.811 119 H LEU 16 H LEU 16 -14.054 -4.991 0.790 120 HA LEU 16 HA LEU 16 -12.397 -2.633 0.520 121 1HB LEU 16 1HB LEU 16 -10.570 -4.401 0.257 122 2HB LEU 16 2HB LEU 16 -11.375 -4.256 1.805 123 HG LEU 16 HG LEU 16 -12.863 -6.191 1.035 124 1HD1 LEU 16 1HD1 LEU 16 -12.247 -6.056 -1.349 125 2HD1 LEU 16 2HD1 LEU 16 -11.969 -7.654 -0.660 126 3HD1 LEU 16 3HD1 LEU 16 -10.611 -6.562 -0.932 127 1HD2 LEU 16 1HD2 LEU 16 -11.170 -6.450 2.746 128 2HD2 LEU 16 2HD2 LEU 16 -9.920 -6.634 1.516 129 3HD2 LEU 16 3HD2 LEU 16 -11.177 -7.859 1.686 130 H SER 17 H SER 17 -14.130 -4.609 -1.583 131 HA SER 17 HA SER 17 -12.519 -4.906 -3.799 132 1HB SER 17 1HB SER 17 -15.485 -4.438 -3.575 133 2HB SER 17 2HB SER 17 -14.695 -4.760 -5.119 134 HG SER 17 HG SER 17 -14.373 -6.782 -4.551 135 H ARG 18 H ARG 18 -14.180 -1.971 -2.727 136 HA ARG 18 HA ARG 18 -12.698 -0.514 -4.792 137 1HB ARG 18 1HB ARG 18 -15.667 -0.262 -4.320 138 2HB ARG 18 2HB ARG 18 -14.722 0.885 -5.258 139 1HG ARG 18 1HG ARG 18 -14.118 -0.895 -6.825 140 2HG ARG 18 2HG ARG 18 -15.083 -2.037 -5.887 141 1HD ARG 18 1HD ARG 18 -17.086 -0.708 -6.322 142 2HD ARG 18 2HD ARG 18 -16.126 0.446 -7.244 143 HE ARG 18 HE ARG 18 -15.962 -2.261 -8.213 144 1HH1 ARG 18 1HH1 ARG 18 -17.709 0.751 -8.361 145 2HH1 ARG 18 2HH1 ARG 18 -18.374 0.439 -9.930 146 1HH2 ARG 18 1HH2 ARG 18 -16.830 -2.683 -10.279 147 2HH2 ARG 18 2HH2 ARG 18 -17.871 -1.516 -11.022 148 H MET 19 H MET 19 -15.224 0.419 -2.464 149 HA MET 19 HA MET 19 -14.214 2.869 -1.771 150 1HB MET 19 1HB MET 19 -15.563 2.749 0.242 151 2HB MET 19 2HB MET 19 -16.436 2.041 -1.110 152 1HG MET 19 1HG MET 19 -15.461 -0.196 -0.232 153 2HG MET 19 2HG MET 19 -15.219 0.707 1.262 154 1HE MET 19 1HE MET 19 -18.751 1.545 2.472 155 2HE MET 19 2HE MET 19 -17.438 2.522 1.816 156 3HE MET 19 3HE MET 19 -17.089 1.238 2.973 157 H GLY 20 H GLY 20 -13.370 -0.260 -0.327 158 1HA GLY 20 1HA GLY 20 -11.715 -0.837 1.167 159 2HA GLY 20 2HA GLY 20 -10.768 0.383 0.326 160 H ASP 21 H ASP 21 -9.704 1.230 2.075 161 HA ASP 21 HA ASP 21 -9.341 2.506 3.919 162 1HB ASP 21 1HB ASP 21 -10.551 4.214 2.706 163 2HB ASP 21 2HB ASP 21 -12.098 3.531 3.198 164 H GLU 22 H GLU 22 -12.840 2.199 4.429 165 HA GLU 22 HA GLU 22 -12.526 1.456 7.133 166 1HB GLU 22 1HB GLU 22 -14.984 0.828 6.943 167 2HB GLU 22 2HB GLU 22 -14.568 2.492 6.560 168 1HG GLU 22 1HG GLU 22 -16.107 1.833 4.924 169 2HG GLU 22 2HG GLU 22 -14.533 1.786 4.133 170 H ALA 23 H ALA 23 -12.299 -0.304 4.236 171 HA ALA 23 HA ALA 23 -12.656 -2.868 5.626 172 1HB ALA 23 1HB ALA 23 -12.659 -3.840 3.321 173 2HB ALA 23 2HB ALA 23 -12.626 -2.192 2.691 174 3HB ALA 23 3HB ALA 23 -13.997 -2.740 3.657 175 H PHE 24 H PHE 24 -10.284 -0.827 5.357 176 HA PHE 24 HA PHE 24 -8.168 -2.137 4.058 177 1HB PHE 24 1HB PHE 24 -8.367 0.294 4.952 178 2HB PHE 24 2HB PHE 24 -7.796 -0.387 6.471 179 HD1 PHE 24 HD1 PHE 24 -6.751 1.381 3.795 180 HD2 PHE 24 HD2 PHE 24 -5.713 -2.148 5.927 181 HE1 PHE 24 HE1 PHE 24 -4.441 1.582 3.005 182 HE2 PHE 24 HE2 PHE 24 -3.401 -1.953 5.134 183 HZ PHE 24 HZ PHE 24 -2.759 -0.082 3.671 184 H GLU 25 H GLU 25 -9.253 -2.133 7.429 185 HA GLU 25 HA GLU 25 -7.191 -3.769 8.411 186 1HB GLU 25 1HB GLU 25 -9.902 -3.036 9.405 187 2HB GLU 25 2HB GLU 25 -9.019 -4.353 10.163 188 1HG GLU 25 1HG GLU 25 -7.171 -2.870 10.665 189 2HG GLU 25 2HG GLU 25 -7.992 -1.544 9.841 190 HA PRO 26 HA PRO 26 -10.328 -7.530 7.984 191 1HB PRO 26 1HB PRO 26 -11.989 -7.160 5.766 192 2HB PRO 26 2HB PRO 26 -12.493 -7.085 7.457 193 1HG PRO 26 1HG PRO 26 -11.857 -4.881 5.565 194 2HG PRO 26 2HG PRO 26 -13.054 -4.934 6.869 195 1HD PRO 26 1HD PRO 26 -10.740 -3.582 7.111 196 2HD PRO 26 2HD PRO 26 -11.493 -4.406 8.492 197 H LEU 27 H LEU 27 -8.904 -5.503 5.670 198 HA LEU 27 HA LEU 27 -8.351 -7.542 3.702 199 1HB LEU 27 1HB LEU 27 -8.569 -5.551 2.618 200 2HB LEU 27 2HB LEU 27 -8.090 -4.625 4.032 201 HG LEU 27 HG LEU 27 -5.717 -5.257 3.537 202 1HD1 LEU 27 1HD1 LEU 27 -5.179 -6.066 1.302 203 2HD1 LEU 27 2HD1 LEU 27 -6.897 -6.215 0.933 204 3HD1 LEU 27 3HD1 LEU 27 -6.170 -7.237 2.171 205 1HD2 LEU 27 1HD2 LEU 27 -5.508 -3.674 1.636 206 2HD2 LEU 27 2HD2 LEU 27 -6.526 -3.075 2.946 207 3HD2 LEU 27 3HD2 LEU 27 -7.263 -3.702 1.472 208 H LEU 28 H LEU 28 -6.837 -5.822 6.314 209 HA LEU 28 HA LEU 28 -4.182 -6.834 5.924 210 1HB LEU 28 1HB LEU 28 -5.049 -4.678 7.135 211 2HB LEU 28 2HB LEU 28 -5.253 -5.744 8.508 212 HG LEU 28 HG LEU 28 -3.167 -4.517 8.660 213 1HD1 LEU 28 1HD1 LEU 28 -3.321 -6.844 9.531 214 2HD1 LEU 28 2HD1 LEU 28 -1.685 -6.327 9.122 215 3HD1 LEU 28 3HD1 LEU 28 -2.569 -7.399 8.036 216 1HD2 LEU 28 1HD2 LEU 28 -1.346 -5.004 7.034 217 2HD2 LEU 28 2HD2 LEU 28 -2.692 -4.087 6.360 218 3HD2 LEU 28 3HD2 LEU 28 -2.538 -5.808 6.015 219 H GLU 29 H GLU 29 -6.961 -7.606 7.928 220 HA GLU 29 HA GLU 29 -5.750 -9.494 9.608 221 1HB GLU 29 1HB GLU 29 -7.904 -8.399 10.085 222 2HB GLU 29 2HB GLU 29 -8.640 -9.283 8.758 223 1HG GLU 29 1HG GLU 29 -8.268 -11.377 9.895 224 2HG GLU 29 2HG GLU 29 -7.409 -10.550 11.194 225 H SER 30 H SER 30 -7.305 -9.747 6.465 226 HA SER 30 HA SER 30 -7.481 -12.564 6.363 227 1HB SER 30 1HB SER 30 -7.859 -12.261 3.957 228 2HB SER 30 2HB SER 30 -8.803 -11.107 4.899 229 HG SER 30 HG SER 30 -7.894 -9.765 3.527 230 H LEU 31 H LEU 31 -4.782 -10.509 6.143 231 HA LEU 31 HA LEU 31 -3.170 -11.864 4.294 232 1HB LEU 31 1HB LEU 31 -2.408 -10.313 6.766 233 2HB LEU 31 2HB LEU 31 -1.257 -10.874 5.570 234 HG LEU 31 HG LEU 31 -3.511 -8.945 5.006 235 1HD1 LEU 31 1HD1 LEU 31 -1.760 -8.049 6.520 236 2HD1 LEU 31 2HD1 LEU 31 -1.843 -7.222 4.965 237 3HD1 LEU 31 3HD1 LEU 31 -0.561 -8.393 5.274 238 1HD2 LEU 31 1HD2 LEU 31 -2.456 -8.624 2.872 239 2HD2 LEU 31 2HD2 LEU 31 -2.761 -10.347 3.093 240 3HD2 LEU 31 3HD2 LEU 31 -1.133 -9.704 3.314 241 H SER 32 H SER 32 -3.995 -12.601 7.593 242 HA SER 32 HA SER 32 -1.961 -14.682 7.764 243 1HB SER 32 1HB SER 32 -4.035 -13.810 9.789 244 2HB SER 32 2HB SER 32 -2.725 -14.955 10.082 245 HG SER 32 HG SER 32 -1.447 -13.331 10.402 246 H ASN 33 H ASN 33 -4.409 -14.759 5.956 247 HA ASN 33 HA ASN 33 -6.055 -16.860 7.005 248 1HB ASN 33 1HB ASN 33 -7.222 -16.795 4.942 249 2HB ASN 33 2HB ASN 33 -6.767 -15.130 5.283 250 1HD2 ASN 33 1HD2 ASN 33 -3.979 -15.552 4.548 251 2HD2 ASN 33 2HD2 ASN 33 -3.952 -15.649 2.826 252 H GLU 34 H GLU 34 -6.177 -19.019 6.272 253 HA GLU 34 HA GLU 34 -3.666 -20.272 5.915 254 1HB GLU 34 1HB GLU 34 -6.439 -21.418 5.553 255 2HB GLU 34 2HB GLU 34 -4.958 -22.353 5.701 256 1HG GLU 34 1HG GLU 34 -4.634 -21.414 7.961 257 2HG GLU 34 2HG GLU 34 -6.180 -20.582 7.806 258 H ASP 35 H ASP 35 -5.945 -18.983 3.688 259 HA ASP 35 HA ASP 35 -5.149 -20.613 1.456 260 1HB ASP 35 1HB ASP 35 -6.719 -18.028 1.533 261 2HB ASP 35 2HB ASP 35 -6.523 -19.057 0.118 262 H TRP 36 H TRP 36 -4.249 -19.647 -0.540 263 HA TRP 36 HA TRP 36 -2.046 -17.822 0.138 264 1HB TRP 36 1HB TRP 36 -2.221 -19.515 -2.349 265 2HB TRP 36 2HB TRP 36 -0.790 -18.809 -1.607 266 HD1 TRP 36 HD1 TRP 36 -1.222 -19.874 1.362 267 HE1 TRP 36 HE1 TRP 36 -0.897 -22.380 1.865 268 HE3 TRP 36 HE3 TRP 36 -1.836 -21.739 -3.357 269 HZ2 TRP 36 HZ2 TRP 36 -0.901 -24.817 0.453 270 HZ3 TRP 36 HZ3 TRP 36 -1.659 -24.171 -3.694 271 HH2 TRP 36 HH2 TRP 36 -1.200 -25.674 -1.825 272 H ARG 37 H ARG 37 -4.487 -18.472 -2.327 273 HA ARG 37 HA ARG 37 -3.945 -16.339 -4.030 274 1HB ARG 37 1HB ARG 37 -6.587 -17.675 -3.448 275 2HB ARG 37 2HB ARG 37 -6.274 -16.618 -4.818 276 1HG ARG 37 1HG ARG 37 -4.547 -18.208 -5.598 277 2HG ARG 37 2HG ARG 37 -4.985 -19.283 -4.271 278 1HD ARG 37 1HD ARG 37 -6.062 -19.914 -6.396 279 2HD ARG 37 2HD ARG 37 -7.229 -19.506 -5.139 280 HE ARG 37 HE ARG 37 -7.790 -17.565 -6.314 281 1HH1 ARG 37 1HH1 ARG 37 -5.249 -19.346 -7.902 282 2HH1 ARG 37 2HH1 ARG 37 -5.420 -18.499 -9.404 283 1HH2 ARG 37 1HH2 ARG 37 -8.017 -16.444 -8.285 284 2HH2 ARG 37 2HH2 ARG 37 -6.990 -16.847 -9.620 285 H ILE 38 H ILE 38 -6.492 -16.505 -1.534 286 HA ILE 38 HA ILE 38 -7.445 -13.932 -1.725 287 HB ILE 38 HB ILE 38 -7.117 -15.518 0.822 288 1HG1 ILE 38 1HG1 ILE 38 -9.519 -15.348 -1.004 289 2HG1 ILE 38 2HG1 ILE 38 -8.339 -16.653 -1.073 290 1HG2 ILE 38 1HG2 ILE 38 -8.933 -13.207 0.149 291 2HG2 ILE 38 2HG2 ILE 38 -7.600 -13.199 1.302 292 3HG2 ILE 38 3HG2 ILE 38 -9.034 -14.177 1.618 293 1HD1 ILE 38 1HD1 ILE 38 -8.892 -17.322 1.174 294 2HD1 ILE 38 2HD1 ILE 38 -10.355 -17.247 0.192 295 3HD1 ILE 38 3HD1 ILE 38 -9.996 -15.956 1.338 296 H ARG 39 H ARG 39 -4.621 -15.067 0.091 297 HA ARG 39 HA ARG 39 -4.058 -12.632 1.395 298 1HB ARG 39 1HB ARG 39 -3.091 -14.828 2.033 299 2HB ARG 39 2HB ARG 39 -2.105 -14.790 0.580 300 1HG ARG 39 1HG ARG 39 -0.996 -12.768 1.388 301 2HG ARG 39 2HG ARG 39 -1.984 -12.816 2.848 302 1HD ARG 39 1HD ARG 39 0.342 -13.766 3.061 303 2HD ARG 39 2HD ARG 39 -0.969 -14.816 3.583 304 HE ARG 39 HE ARG 39 -0.087 -15.190 0.853 305 1HH1 ARG 39 1HH1 ARG 39 0.214 -16.172 4.181 306 2HH1 ARG 39 2HH1 ARG 39 0.861 -17.731 3.798 307 1HH2 ARG 39 1HH2 ARG 39 0.762 -17.245 0.337 308 2HH2 ARG 39 2HH2 ARG 39 1.172 -18.342 1.613 309 H GLY 40 H GLY 40 -3.032 -13.942 -1.728 310 1HA GLY 40 1HA GLY 40 -1.119 -11.999 -2.375 311 2HA GLY 40 2HA GLY 40 -2.040 -12.938 -3.540 312 H ALA 41 H ALA 41 -4.503 -12.141 -3.496 313 HA ALA 41 HA ALA 41 -4.634 -9.736 -4.802 314 1HB ALA 41 1HB ALA 41 -7.061 -9.771 -4.315 315 2HB ALA 41 2HB ALA 41 -6.781 -11.090 -3.178 316 3HB ALA 41 3HB ALA 41 -6.444 -11.318 -4.894 317 H ALA 42 H ALA 42 -4.605 -10.330 -1.367 318 HA ALA 42 HA ALA 42 -5.644 -7.907 -0.436 319 1HB ALA 42 1HB ALA 42 -3.453 -9.515 0.870 320 2HB ALA 42 2HB ALA 42 -5.168 -9.913 0.964 321 3HB ALA 42 3HB ALA 42 -4.575 -8.403 1.655 322 H ALA 43 H ALA 43 -2.223 -8.822 -0.884 323 HA ALA 43 HA ALA 43 -1.184 -6.248 -0.395 324 1HB ALA 43 1HB ALA 43 0.176 -8.275 -0.264 325 2HB ALA 43 2HB ALA 43 0.887 -7.089 -1.358 326 3HB ALA 43 3HB ALA 43 0.031 -8.486 -2.008 327 H TRP 44 H TRP 44 -2.402 -7.827 -3.267 328 HA TRP 44 HA TRP 44 -1.380 -6.187 -5.258 329 1HB TRP 44 1HB TRP 44 -3.704 -7.990 -4.986 330 2HB TRP 44 2HB TRP 44 -3.811 -6.797 -6.276 331 HD1 TRP 44 HD1 TRP 44 -1.788 -9.849 -5.181 332 HE1 TRP 44 HE1 TRP 44 -0.408 -10.690 -7.181 333 HE3 TRP 44 HE3 TRP 44 -2.755 -6.070 -8.485 334 HZ2 TRP 44 HZ2 TRP 44 0.190 -9.871 -9.811 335 HZ3 TRP 44 HZ3 TRP 44 -1.743 -6.177 -10.725 336 HH2 TRP 44 HH2 TRP 44 -0.303 -8.039 -11.374 337 H ILE 45 H ILE 45 -4.010 -5.656 -3.026 338 HA ILE 45 HA ILE 45 -4.723 -3.131 -4.331 339 HB ILE 45 HB ILE 45 -6.051 -4.554 -2.017 340 1HG1 ILE 45 1HG1 ILE 45 -6.268 -5.792 -4.120 341 2HG1 ILE 45 2HG1 ILE 45 -7.816 -5.106 -3.637 342 1HG2 ILE 45 1HG2 ILE 45 -7.900 -2.979 -2.376 343 2HG2 ILE 45 2HG2 ILE 45 -6.935 -2.136 -3.587 344 3HG2 ILE 45 3HG2 ILE 45 -6.413 -2.160 -1.902 345 1HD1 ILE 45 1HD1 ILE 45 -5.968 -4.000 -5.741 346 2HD1 ILE 45 2HD1 ILE 45 -7.511 -3.298 -5.254 347 3HD1 ILE 45 3HD1 ILE 45 -7.467 -4.884 -6.024 348 H ILE 46 H ILE 46 -3.090 -4.435 -1.594 349 HA ILE 46 HA ILE 46 -3.197 -2.361 0.243 350 HB ILE 46 HB ILE 46 -1.200 -4.499 -0.343 351 1HG1 ILE 46 1HG1 ILE 46 -3.258 -4.984 0.933 352 2HG1 ILE 46 2HG1 ILE 46 -1.806 -5.257 1.887 353 1HG2 ILE 46 1HG2 ILE 46 0.132 -3.772 1.629 354 2HG2 ILE 46 2HG2 ILE 46 -0.752 -2.249 1.594 355 3HG2 ILE 46 3HG2 ILE 46 0.264 -2.705 0.229 356 1HD1 ILE 46 1HD1 ILE 46 -3.556 -4.183 3.191 357 2HD1 ILE 46 2HD1 ILE 46 -3.585 -2.836 2.053 358 3HD1 ILE 46 3HD1 ILE 46 -2.146 -3.135 3.028 359 H GLY 47 H GLY 47 -0.952 -2.810 -2.476 360 1HA GLY 47 1HA GLY 47 0.721 -0.627 -1.937 361 2HA GLY 47 2HA GLY 47 0.478 -1.349 -3.519 362 H ASN 48 H ASN 48 -2.489 -0.681 -3.238 363 HA ASN 48 HA ASN 48 -2.367 1.777 -4.634 364 1HB ASN 48 1HB ASN 48 -4.652 0.163 -3.517 365 2HB ASN 48 2HB ASN 48 -4.901 1.685 -4.359 366 1HD2 ASN 48 1HD2 ASN 48 -3.940 -1.630 -4.653 367 2HD2 ASN 48 2HD2 ASN 48 -3.976 -1.704 -6.378 368 H PHE 49 H PHE 49 -3.258 0.928 -1.307 369 HA PHE 49 HA PHE 49 -3.702 3.756 -0.720 370 1HB PHE 49 1HB PHE 49 -4.035 1.468 1.212 371 2HB PHE 49 2HB PHE 49 -4.772 3.065 1.277 372 HD1 PHE 49 HD1 PHE 49 -5.841 0.013 1.201 373 HD2 PHE 49 HD2 PHE 49 -5.805 3.316 -1.489 374 HE1 PHE 49 HE1 PHE 49 -7.834 -0.886 0.073 375 HE2 PHE 49 HE2 PHE 49 -7.802 2.422 -2.615 376 HZ PHE 49 HZ PHE 49 -8.818 0.320 -1.835 377 H GLN 50 H GLN 50 -1.954 4.877 -0.190 378 HA GLN 50 HA GLN 50 0.418 3.641 0.850 379 1HB GLN 50 1HB GLN 50 -0.380 6.432 0.117 380 2HB GLN 50 2HB GLN 50 1.054 6.184 1.105 381 1HG GLN 50 1HG GLN 50 2.086 6.077 -0.875 382 2HG GLN 50 2HG GLN 50 1.525 4.408 -0.858 383 1HE2 GLN 50 1HE2 GLN 50 -1.273 5.238 -1.280 384 2HE2 GLN 50 2HE2 GLN 50 -1.383 5.678 -2.943 385 H ASP 51 H ASP 51 -1.222 2.858 2.656 386 HA ASP 51 HA ASP 51 -1.232 4.771 4.876 387 1HB ASP 51 1HB ASP 51 -3.373 3.685 4.206 388 2HB ASP 51 2HB ASP 51 -2.681 2.126 4.636 389 H GLU 52 H GLU 52 -0.965 3.616 7.098 390 HA GLU 52 HA GLU 52 1.684 2.645 7.219 391 1HB GLU 52 1HB GLU 52 1.194 2.288 9.638 392 2HB GLU 52 2HB GLU 52 0.814 3.903 9.060 393 1HG GLU 52 1HG GLU 52 -1.553 3.272 8.905 394 2HG GLU 52 2HG GLU 52 -1.153 1.676 9.538 395 H ARG 53 H ARG 53 -1.445 0.991 7.642 396 HA ARG 53 HA ARG 53 -0.312 -1.529 8.242 397 1HB ARG 53 1HB ARG 53 -2.806 -1.993 6.990 398 2HB ARG 53 2HB ARG 53 -2.429 -2.024 8.703 399 1HG ARG 53 1HG ARG 53 -2.836 0.471 8.700 400 2HG ARG 53 2HG ARG 53 -3.504 0.261 7.081 401 1HD ARG 53 1HD ARG 53 -5.155 -1.296 7.948 402 2HD ARG 53 2HD ARG 53 -4.462 -1.160 9.562 403 HE ARG 53 HE ARG 53 -5.599 1.190 8.206 404 1HH1 ARG 53 1HH1 ARG 53 -5.497 -1.014 10.908 405 2HH1 ARG 53 2HH1 ARG 53 -6.577 -0.072 11.880 406 1HH2 ARG 53 1HH2 ARG 53 -7.020 2.434 9.483 407 2HH2 ARG 53 2HH2 ARG 53 -7.444 1.886 11.071 408 H ALA 54 H ALA 54 -0.135 0.190 5.427 409 HA ALA 54 HA ALA 54 -0.297 -2.142 3.655 410 1HB ALA 54 1HB ALA 54 0.082 -0.402 1.860 411 2HB ALA 54 2HB ALA 54 -0.080 0.814 3.128 412 3HB ALA 54 3HB ALA 54 -1.426 -0.263 2.760 413 H VAL 55 H VAL 55 1.890 -1.095 5.679 414 HA VAL 55 HA VAL 55 4.173 -0.965 3.884 415 HB VAL 55 HB VAL 55 4.082 -0.747 6.891 416 1HG1 VAL 55 1HG1 VAL 55 6.240 -0.006 4.930 417 2HG1 VAL 55 2HG1 VAL 55 6.260 -1.411 5.997 418 3HG1 VAL 55 3HG1 VAL 55 6.295 0.216 6.679 419 1HG2 VAL 55 1HG2 VAL 55 4.213 1.431 4.807 420 2HG2 VAL 55 2HG2 VAL 55 4.229 1.653 6.556 421 3HG2 VAL 55 3HG2 VAL 55 2.789 1.018 5.761 422 H GLU 56 H GLU 56 3.355 -2.860 6.809 423 HA GLU 56 HA GLU 56 5.477 -4.665 6.564 424 1HB GLU 56 1HB GLU 56 4.297 -4.388 8.654 425 2HB GLU 56 2HB GLU 56 2.817 -5.017 7.941 426 1HG GLU 56 1HG GLU 56 3.671 -7.192 7.806 427 2HG GLU 56 2HG GLU 56 5.330 -6.648 8.064 428 HA PRO 57 HA PRO 57 1.887 -7.687 4.641 429 1HB PRO 57 1HB PRO 57 1.183 -5.450 2.779 430 2HB PRO 57 2HB PRO 57 0.212 -6.836 3.291 431 1HG PRO 57 1HG PRO 57 -0.142 -4.439 4.401 432 2HG PRO 57 2HG PRO 57 -0.252 -5.923 5.363 433 1HD PRO 57 1HD PRO 57 1.849 -3.843 5.346 434 2HD PRO 57 2HD PRO 57 1.407 -4.993 6.623 435 H LEU 58 H LEU 58 3.528 -5.121 2.803 436 HA LEU 58 HA LEU 58 4.167 -6.712 0.581 437 1HB LEU 58 1HB LEU 58 5.875 -4.421 1.495 438 2HB LEU 58 2HB LEU 58 5.525 -4.942 -0.142 439 HG LEU 58 HG LEU 58 3.709 -3.450 1.743 440 1HD1 LEU 58 1HD1 LEU 58 5.301 -2.084 0.528 441 2HD1 LEU 58 2HD1 LEU 58 3.667 -1.811 -0.076 442 3HD1 LEU 58 3HD1 LEU 58 4.791 -2.811 -0.995 443 1HD2 LEU 58 1HD2 LEU 58 3.031 -4.763 -0.883 444 2HD2 LEU 58 2HD2 LEU 58 2.019 -3.567 -0.072 445 3HD2 LEU 58 3HD2 LEU 58 2.338 -5.121 0.698 446 H ILE 59 H ILE 59 6.201 -5.738 3.334 447 HA ILE 59 HA ILE 59 8.533 -7.026 2.675 448 HB ILE 59 HB ILE 59 7.369 -6.686 5.436 449 1HG1 ILE 59 1HG1 ILE 59 9.343 -4.969 3.911 450 2HG1 ILE 59 2HG1 ILE 59 7.633 -4.598 4.099 451 1HG2 ILE 59 1HG2 ILE 59 9.763 -6.787 6.154 452 2HG2 ILE 59 2HG2 ILE 59 10.166 -7.342 4.529 453 3HG2 ILE 59 3HG2 ILE 59 9.112 -8.313 5.557 454 1HD1 ILE 59 1HD1 ILE 59 9.621 -4.843 6.346 455 2HD1 ILE 59 2HD1 ILE 59 7.919 -4.407 6.500 456 3HD1 ILE 59 3HD1 ILE 59 9.032 -3.333 5.651 457 H LYS 60 H LYS 60 5.906 -8.402 4.670 458 HA LYS 60 HA LYS 60 7.204 -10.917 4.931 459 1HB LYS 60 1HB LYS 60 4.961 -11.661 5.817 460 2HB LYS 60 2HB LYS 60 5.725 -10.323 6.659 461 1HG LYS 60 1HG LYS 60 3.587 -9.552 6.519 462 2HG LYS 60 2HG LYS 60 4.253 -8.875 5.034 463 1HD LYS 60 1HD LYS 60 2.107 -9.858 4.558 464 2HD LYS 60 2HD LYS 60 3.365 -10.839 3.802 465 1HE LYS 60 1HE LYS 60 3.242 -12.440 5.627 466 2HE LYS 60 2HE LYS 60 2.039 -11.444 6.445 467 1HZ LYS 60 1HZ LYS 60 0.986 -13.256 5.281 468 2HZ LYS 60 2HZ LYS 60 1.701 -12.789 3.821 469 3HZ LYS 60 3HZ LYS 60 0.551 -11.791 4.555 470 H LEU 61 H LEU 61 5.121 -9.620 2.473 471 HA LEU 61 HA LEU 61 4.447 -12.274 1.482 472 1HB LEU 61 1HB LEU 61 3.101 -9.907 1.440 473 2HB LEU 61 2HB LEU 61 3.750 -9.969 -0.186 474 HG LEU 61 HG LEU 61 2.706 -12.203 -0.477 475 1HD1 LEU 61 1HD1 LEU 61 2.627 -12.834 1.887 476 2HD1 LEU 61 2HD1 LEU 61 1.048 -12.965 1.116 477 3HD1 LEU 61 3HD1 LEU 61 1.403 -11.597 2.169 478 1HD2 LEU 61 1HD2 LEU 61 0.848 -9.960 0.289 479 2HD2 LEU 61 2HD2 LEU 61 0.398 -11.381 -0.652 480 3HD2 LEU 61 3HD2 LEU 61 1.570 -10.231 -1.297 481 H LEU 62 H LEU 62 6.838 -9.877 0.894 482 HA LEU 62 HA LEU 62 7.388 -10.486 -1.835 483 1HB LEU 62 1HB LEU 62 8.973 -9.160 0.354 484 2HB LEU 62 2HB LEU 62 9.635 -9.411 -1.250 485 HG LEU 62 HG LEU 62 7.007 -8.042 -1.082 486 1HD1 LEU 62 1HD1 LEU 62 8.020 -5.896 -0.601 487 2HD1 LEU 62 2HD1 LEU 62 9.595 -6.656 -0.396 488 3HD1 LEU 62 3HD1 LEU 62 8.295 -7.006 0.740 489 1HD2 LEU 62 1HD2 LEU 62 9.500 -7.694 -2.740 490 2HD2 LEU 62 2HD2 LEU 62 8.027 -6.742 -2.919 491 3HD2 LEU 62 3HD2 LEU 62 7.998 -8.477 -3.235 492 H GLU 63 H GLU 63 7.874 -12.187 1.022 493 HA GLU 63 HA GLU 63 10.016 -13.795 -0.197 494 1HB GLU 63 1HB GLU 63 10.467 -14.568 2.137 495 2HB GLU 63 2HB GLU 63 10.767 -12.855 1.868 496 1HG GLU 63 1HG GLU 63 8.673 -12.291 2.934 497 2HG GLU 63 2HG GLU 63 8.281 -13.999 3.127 498 H ASP 64 H ASP 64 6.786 -13.768 0.134 499 HA ASP 64 HA ASP 64 6.121 -16.289 1.155 500 1HB ASP 64 1HB ASP 64 4.603 -14.271 0.520 501 2HB ASP 64 2HB ASP 64 4.561 -15.023 -1.071 502 H ASP 65 H ASP 65 7.299 -15.275 -1.902 503 HA ASP 65 HA ASP 65 7.834 -16.342 -3.845 504 1HB ASP 65 1HB ASP 65 8.509 -18.460 -1.804 505 2HB ASP 65 2HB ASP 65 8.971 -18.560 -3.500 506 H SER 66 H SER 66 5.005 -16.662 -2.954 507 HA SER 66 HA SER 66 4.310 -19.336 -3.846 508 1HB SER 66 1HB SER 66 3.036 -18.317 -2.008 509 2HB SER 66 2HB SER 66 2.526 -17.015 -3.082 510 HG SER 66 HG SER 66 1.966 -19.769 -3.475 511 H GLY 67 H GLY 67 4.840 -16.296 -5.232 512 1HA GLY 67 1HA GLY 67 5.007 -16.323 -7.685 513 2HA GLY 67 2HA GLY 67 3.453 -17.149 -7.702 514 H PHE 68 H PHE 68 1.668 -15.916 -7.965 515 HA PHE 68 HA PHE 68 1.868 -13.173 -8.483 516 1HB PHE 68 1HB PHE 68 -0.254 -13.380 -9.190 517 2HB PHE 68 2HB PHE 68 -0.083 -15.090 -8.825 518 HD1 PHE 68 HD1 PHE 68 -1.245 -16.085 -6.991 519 HD2 PHE 68 HD2 PHE 68 -1.423 -11.872 -7.626 520 HE1 PHE 68 HE1 PHE 68 -3.116 -15.924 -5.413 521 HE2 PHE 68 HE2 PHE 68 -3.294 -11.714 -6.041 522 HZ PHE 68 HZ PHE 68 -4.144 -13.739 -4.933 523 H VAL 69 H VAL 69 1.456 -14.932 -5.550 524 HA VAL 69 HA VAL 69 0.467 -12.793 -3.950 525 HB VAL 69 HB VAL 69 2.038 -15.209 -3.045 526 1HG1 VAL 69 1HG1 VAL 69 0.785 -14.856 -0.926 527 2HG1 VAL 69 2HG1 VAL 69 0.185 -13.335 -1.588 528 3HG1 VAL 69 3HG1 VAL 69 1.913 -13.560 -1.318 529 1HG2 VAL 69 1HG2 VAL 69 0.121 -15.920 -4.355 530 2HG2 VAL 69 2HG2 VAL 69 -0.939 -14.882 -3.403 531 3HG2 VAL 69 3HG2 VAL 69 -0.148 -16.266 -2.647 532 H ARG 70 H ARG 70 3.603 -13.926 -4.950 533 HA ARG 70 HA ARG 70 5.089 -12.254 -3.154 534 1HB ARG 70 1HB ARG 70 6.000 -14.382 -3.966 535 2HB ARG 70 2HB ARG 70 5.971 -13.769 -5.614 536 1HG ARG 70 1HG ARG 70 7.566 -11.993 -4.911 537 2HG ARG 70 2HG ARG 70 7.675 -12.785 -3.336 538 1HD ARG 70 1HD ARG 70 9.510 -13.406 -4.888 539 2HD ARG 70 2HD ARG 70 8.556 -14.781 -4.333 540 HE ARG 70 HE ARG 70 7.702 -13.662 -6.853 541 1HH1 ARG 70 1HH1 ARG 70 9.758 -15.987 -5.268 542 2HH1 ARG 70 2HH1 ARG 70 9.896 -17.007 -6.661 543 1HH2 ARG 70 1HH2 ARG 70 7.874 -14.998 -8.689 544 2HH2 ARG 70 2HH2 ARG 70 8.823 -16.444 -8.609 545 H SER 71 H SER 71 4.254 -12.203 -6.587 546 HA SER 71 HA SER 71 5.664 -9.842 -7.237 547 1HB SER 71 1HB SER 71 4.932 -11.513 -8.911 548 2HB SER 71 2HB SER 71 3.260 -11.034 -8.625 549 HG SER 71 HG SER 71 4.936 -8.936 -9.179 550 H GLY 72 H GLY 72 2.317 -10.446 -6.279 551 1HA GLY 72 1HA GLY 72 1.189 -7.972 -6.737 552 2HA GLY 72 2HA GLY 72 0.729 -9.031 -5.413 553 H ALA 73 H ALA 73 2.990 -9.012 -3.867 554 HA ALA 73 HA ALA 73 2.736 -6.513 -2.533 555 1HB ALA 73 1HB ALA 73 3.116 -8.543 -1.276 556 2HB ALA 73 2HB ALA 73 4.440 -7.410 -1.000 557 3HB ALA 73 3HB ALA 73 4.665 -8.783 -2.084 558 H ALA 74 H ALA 74 5.045 -7.883 -4.773 559 HA ALA 74 HA ALA 74 7.209 -6.165 -4.331 560 1HB ALA 74 1HB ALA 74 6.368 -7.506 -6.896 561 2HB ALA 74 2HB ALA 74 7.393 -8.206 -5.642 562 3HB ALA 74 3HB ALA 74 7.955 -6.813 -6.566 563 H ARG 75 H ARG 75 4.641 -5.925 -6.795 564 HA ARG 75 HA ARG 75 5.476 -3.462 -7.843 565 1HB ARG 75 1HB ARG 75 3.077 -3.316 -8.673 566 2HB ARG 75 2HB ARG 75 3.994 -4.733 -9.164 567 1HG ARG 75 1HG ARG 75 2.896 -6.063 -7.455 568 2HG ARG 75 2HG ARG 75 2.007 -4.642 -6.902 569 1HD ARG 75 1HD ARG 75 0.838 -6.303 -8.501 570 2HD ARG 75 2HD ARG 75 0.683 -4.572 -8.806 571 HE ARG 75 HE ARG 75 1.950 -4.813 -10.720 572 1HH1 ARG 75 1HH1 ARG 75 2.002 -7.768 -8.877 573 2HH1 ARG 75 2HH1 ARG 75 2.712 -8.700 -10.150 574 1HH2 ARG 75 1HH2 ARG 75 2.891 -6.027 -12.399 575 2HH2 ARG 75 2HH2 ARG 75 3.221 -7.710 -12.154 576 H SER 76 H SER 76 3.611 -4.249 -5.020 577 HA SER 76 HA SER 76 2.272 -1.834 -4.614 578 1HB SER 76 1HB SER 76 3.367 -3.750 -2.545 579 2HB SER 76 2HB SER 76 2.171 -2.491 -2.239 580 HG SER 76 HG SER 76 1.246 -4.579 -2.614 581 H LEU 77 H LEU 77 5.596 -2.753 -3.934 582 HA LEU 77 HA LEU 77 6.296 -0.601 -2.271 583 1HB LEU 77 1HB LEU 77 7.844 -2.365 -4.136 584 2HB LEU 77 2HB LEU 77 8.630 -1.017 -3.341 585 HG LEU 77 HG LEU 77 7.840 -2.020 -1.144 586 1HD1 LEU 77 1HD1 LEU 77 7.322 -4.390 -1.145 587 2HD1 LEU 77 2HD1 LEU 77 7.381 -4.419 -2.907 588 3HD1 LEU 77 3HD1 LEU 77 6.127 -3.493 -2.082 589 1HD2 LEU 77 1HD2 LEU 77 10.141 -2.129 -1.883 590 2HD2 LEU 77 2HD2 LEU 77 9.780 -3.547 -2.868 591 3HD2 LEU 77 3HD2 LEU 77 9.678 -3.645 -1.109 592 H GLU 78 H GLU 78 6.994 -0.985 -5.744 593 HA GLU 78 HA GLU 78 7.820 1.613 -6.244 594 1HB GLU 78 1HB GLU 78 6.292 -0.150 -8.168 595 2HB GLU 78 2HB GLU 78 7.384 1.163 -8.584 596 1HG GLU 78 1HG GLU 78 9.254 -0.092 -7.637 597 2HG GLU 78 2HG GLU 78 8.158 -1.409 -7.227 598 H GLN 79 H GLN 79 4.650 0.345 -5.732 599 HA GLN 79 HA GLN 79 3.184 2.462 -6.958 600 1HB GLN 79 1HB GLN 79 2.500 0.276 -5.021 601 2HB GLN 79 2HB GLN 79 1.344 1.562 -5.336 602 1HG GLN 79 1HG GLN 79 1.422 1.005 -7.733 603 2HG GLN 79 2HG GLN 79 2.515 -0.328 -7.366 604 1HE2 GLN 79 1HE2 GLN 79 1.722 -2.149 -6.313 605 2HE2 GLN 79 2HE2 GLN 79 0.029 -2.477 -6.179 606 H ILE 80 H ILE 80 4.006 1.726 -3.576 607 HA ILE 80 HA ILE 80 2.859 4.068 -2.491 608 HB ILE 80 HB ILE 80 5.070 2.335 -1.377 609 1HG1 ILE 80 1HG1 ILE 80 2.090 2.303 -0.844 610 2HG1 ILE 80 2HG1 ILE 80 2.954 1.135 -1.839 611 1HG2 ILE 80 1HG2 ILE 80 3.272 4.272 0.078 612 2HG2 ILE 80 2HG2 ILE 80 4.948 4.593 -0.360 613 3HG2 ILE 80 3HG2 ILE 80 4.566 3.299 0.774 614 1HD1 ILE 80 1HD1 ILE 80 3.405 1.596 1.101 615 2HD1 ILE 80 2HD1 ILE 80 4.212 0.392 0.096 616 3HD1 ILE 80 3HD1 ILE 80 2.478 0.273 0.393 617 H GLY 81 H GLY 81 6.310 3.241 -2.911 618 1HA GLY 81 1HA GLY 81 8.129 4.558 -3.398 619 2HA GLY 81 2HA GLY 81 7.002 5.747 -4.033 620 H GLY 82 H GLY 82 9.439 5.505 -1.978 621 1HA GLY 82 1HA GLY 82 9.476 7.824 -0.755 622 2HA GLY 82 2HA GLY 82 8.228 7.043 0.203 623 H GLU 83 H GLU 83 10.191 7.844 1.672 624 HA GLU 83 HA GLU 83 12.474 6.194 1.859 625 1HB GLU 83 1HB GLU 83 11.986 8.529 2.901 626 2HB GLU 83 2HB GLU 83 11.275 7.612 4.220 627 1HG GLU 83 1HG GLU 83 14.096 7.250 3.248 628 2HG GLU 83 2HG GLU 83 13.634 8.302 4.583 629 H ARG 84 H ARG 84 9.254 5.990 3.224 630 HA ARG 84 HA ARG 84 9.690 4.071 5.191 631 1HB ARG 84 1HB ARG 84 7.276 3.499 4.911 632 2HB ARG 84 2HB ARG 84 7.587 5.214 5.122 633 1HG ARG 84 1HG ARG 84 7.292 4.056 2.380 634 2HG ARG 84 2HG ARG 84 5.872 4.443 3.350 635 1HD ARG 84 1HD ARG 84 7.314 6.716 3.635 636 2HD ARG 84 2HD ARG 84 7.805 6.220 2.016 637 HE ARG 84 HE ARG 84 5.129 6.007 1.895 638 1HH1 ARG 84 1HH1 ARG 84 7.228 8.562 2.997 639 2HH1 ARG 84 2HH1 ARG 84 6.121 9.826 2.579 640 1HH2 ARG 84 1HH2 ARG 84 3.666 7.669 1.345 641 2HH2 ARG 84 2HH2 ARG 84 4.100 9.320 1.640 642 H VAL 85 H VAL 85 8.828 3.635 1.775 643 HA VAL 85 HA VAL 85 8.844 0.794 1.899 644 HB VAL 85 HB VAL 85 9.208 2.527 -0.550 645 1HG1 VAL 85 1HG1 VAL 85 9.734 0.091 -0.763 646 2HG1 VAL 85 2HG1 VAL 85 8.418 0.648 -1.797 647 3HG1 VAL 85 3HG1 VAL 85 8.061 -0.250 -0.321 648 1HG2 VAL 85 1HG2 VAL 85 6.682 1.539 0.764 649 2HG2 VAL 85 2HG2 VAL 85 6.765 2.310 -0.820 650 3HG2 VAL 85 3HG2 VAL 85 7.212 3.215 0.627 651 H ARG 86 H ARG 86 11.268 3.226 1.472 652 HA ARG 86 HA ARG 86 13.251 1.765 0.147 653 1HB ARG 86 1HB ARG 86 13.191 4.265 0.729 654 2HB ARG 86 2HB ARG 86 13.844 3.791 2.292 655 1HG ARG 86 1HG ARG 86 15.807 2.873 1.251 656 2HG ARG 86 2HG ARG 86 15.135 3.162 -0.355 657 1HD ARG 86 1HD ARG 86 15.893 5.249 1.686 658 2HD ARG 86 2HD ARG 86 16.747 4.883 0.188 659 HE ARG 86 HE ARG 86 14.173 5.526 -0.553 660 1HH1 ARG 86 1HH1 ARG 86 16.795 7.098 1.118 661 2HH1 ARG 86 2HH1 ARG 86 16.336 8.689 0.607 662 1HH2 ARG 86 1HH2 ARG 86 13.560 7.611 -1.230 663 2HH2 ARG 86 2HH2 ARG 86 14.496 8.981 -0.729 664 H ALA 87 H ALA 87 12.057 1.546 3.364 665 HA ALA 87 HA ALA 87 14.368 0.138 4.392 666 1HB ALA 87 1HB ALA 87 13.110 -0.030 6.462 667 2HB ALA 87 2HB ALA 87 11.658 0.560 5.655 668 3HB ALA 87 3HB ALA 87 13.049 1.626 5.856 669 H ALA 88 H ALA 88 11.277 -0.515 2.976 670 HA ALA 88 HA ALA 88 11.032 -3.230 3.751 671 1HB ALA 88 1HB ALA 88 9.888 -1.941 1.277 672 2HB ALA 88 2HB ALA 88 9.172 -1.801 2.883 673 3HB ALA 88 3HB ALA 88 9.297 -3.380 2.107 674 H MET 89 H MET 89 12.480 -1.593 0.970 675 HA MET 89 HA MET 89 13.140 -3.982 -0.423 676 1HB MET 89 1HB MET 89 14.147 -2.620 -2.000 677 2HB MET 89 2HB MET 89 12.984 -1.517 -1.287 678 1HG MET 89 1HG MET 89 14.884 -0.238 -1.414 679 2HG MET 89 2HG MET 89 14.936 -0.817 0.248 680 1HE MET 89 1HE MET 89 17.770 0.287 -1.074 681 2HE MET 89 2HE MET 89 18.677 -0.950 -0.203 682 3HE MET 89 3HE MET 89 17.269 -0.197 0.545 683 H GLU 90 H GLU 90 14.769 -1.928 1.921 684 HA GLU 90 HA GLU 90 17.335 -3.019 1.792 685 1HB GLU 90 1HB GLU 90 15.765 -1.737 4.017 686 2HB GLU 90 2HB GLU 90 17.377 -2.375 4.308 687 1HG GLU 90 1HG GLU 90 18.273 -0.893 2.586 688 2HG GLU 90 2HG GLU 90 16.657 -0.252 2.301 689 H LYS 91 H LYS 91 14.395 -4.130 3.307 690 HA LYS 91 HA LYS 91 15.508 -6.150 4.929 691 1HB LYS 91 1HB LYS 91 13.138 -5.178 4.975 692 2HB LYS 91 2HB LYS 91 12.781 -6.277 3.650 693 1HG LYS 91 1HG LYS 91 13.932 -7.276 6.228 694 2HG LYS 91 2HG LYS 91 12.199 -7.005 6.035 695 1HD LYS 91 1HD LYS 91 12.236 -8.511 4.063 696 2HD LYS 91 2HD LYS 91 13.937 -8.845 4.394 697 1HE LYS 91 1HE LYS 91 11.664 -9.362 6.302 698 2HE LYS 91 2HE LYS 91 12.422 -10.580 5.278 699 1HZ LYS 91 1HZ LYS 91 14.555 -10.012 6.415 700 2HZ LYS 91 2HZ LYS 91 13.400 -10.739 7.413 701 3HZ LYS 91 3HZ LYS 91 13.667 -9.072 7.507 702 H LEU 92 H LEU 92 14.033 -6.355 1.669 703 HA LEU 92 HA LEU 92 14.547 -9.095 1.304 704 1HB LEU 92 1HB LEU 92 14.405 -7.003 -0.862 705 2HB LEU 92 2HB LEU 92 14.158 -8.730 -1.050 706 HG LEU 92 HG LEU 92 12.358 -6.808 0.414 707 1HD1 LEU 92 1HD1 LEU 92 10.765 -7.387 -1.343 708 2HD1 LEU 92 2HD1 LEU 92 11.974 -8.416 -2.106 709 3HD1 LEU 92 3HD1 LEU 92 12.228 -6.673 -2.016 710 1HD2 LEU 92 1HD2 LEU 92 10.878 -8.707 0.773 711 2HD2 LEU 92 2HD2 LEU 92 12.438 -8.988 1.545 712 3HD2 LEU 92 3HD2 LEU 92 12.053 -9.785 0.020 713 H ALA 93 H ALA 93 16.485 -6.232 0.628 714 HA ALA 93 HA ALA 93 18.508 -7.357 -0.896 715 1HB ALA 93 1HB ALA 93 19.947 -5.549 -0.033 716 2HB ALA 93 2HB ALA 93 18.728 -5.185 1.188 717 3HB ALA 93 3HB ALA 93 18.356 -4.965 -0.521 718 H GLU 94 H GLU 94 17.869 -7.553 2.519 719 HA GLU 94 HA GLU 94 20.400 -8.833 3.130 720 1HB GLU 94 1HB GLU 94 19.003 -7.239 4.647 721 2HB GLU 94 2HB GLU 94 18.044 -8.670 4.991 722 1HG GLU 94 1HG GLU 94 21.017 -8.553 5.387 723 2HG GLU 94 2HG GLU 94 19.857 -8.123 6.640 724 H THR 95 H THR 95 17.208 -9.679 2.215 725 HA THR 95 HA THR 95 17.736 -12.519 2.816 726 HB THR 95 HB THR 95 15.211 -12.778 2.697 727 HG1 THR 95 HG1 THR 95 15.467 -9.973 2.583 728 1HG2 THR 95 1HG2 THR 95 16.351 -11.060 4.906 729 2HG2 THR 95 2HG2 THR 95 16.425 -12.819 4.819 730 3HG2 THR 95 3HG2 THR 95 14.869 -12.011 5.004 731 H GLY 96 H GLY 96 18.685 -11.225 0.478 732 1HA GLY 96 1HA GLY 96 17.282 -11.192 -1.813 733 2HA GLY 96 2HA GLY 96 18.902 -11.863 -1.733 734 H THR 97 H THR 97 15.688 -12.473 -2.444 735 HA THR 97 HA THR 97 16.283 -15.262 -2.969 736 HB THR 97 HB THR 97 15.406 -15.386 -0.694 737 HG1 THR 97 HG1 THR 97 14.174 -16.508 -2.874 738 1HG2 THR 97 1HG2 THR 97 14.085 -13.306 -0.723 739 2HG2 THR 97 2HG2 THR 97 13.134 -14.683 -0.165 740 3HG2 THR 97 3HG2 THR 97 12.923 -14.072 -1.805 741 H GLY 98 H GLY 98 15.198 -16.061 -4.700 742 1HA GLY 98 1HA GLY 98 13.962 -16.032 -6.632 743 2HA GLY 98 2HA GLY 98 12.701 -15.304 -5.651 744 H PHE 99 H PHE 99 11.921 -13.789 -7.011 745 HA PHE 99 HA PHE 99 13.785 -11.990 -8.360 746 1HB PHE 99 1HB PHE 99 12.185 -11.685 -9.934 747 2HB PHE 99 2HB PHE 99 11.523 -13.169 -9.268 748 HD1 PHE 99 HD1 PHE 99 10.665 -10.083 -10.404 749 HD2 PHE 99 HD2 PHE 99 9.977 -12.599 -7.036 750 HE1 PHE 99 HE1 PHE 99 8.555 -8.903 -9.957 751 HE2 PHE 99 HE2 PHE 99 7.867 -11.422 -6.590 752 HZ PHE 99 HZ PHE 99 7.154 -9.572 -8.050 753 H ALA 100 H ALA 100 11.928 -12.150 -5.550 754 HA ALA 100 HA ALA 100 11.038 -9.543 -5.173 755 1HB ALA 100 1HB ALA 100 11.074 -10.033 -2.792 756 2HB ALA 100 2HB ALA 100 12.105 -11.434 -3.083 757 3HB ALA 100 3HB ALA 100 10.454 -11.411 -3.702 758 H ARG 101 H ARG 101 14.229 -10.943 -4.766 759 HA ARG 101 HA ARG 101 15.449 -8.827 -3.381 760 1HB ARG 101 1HB ARG 101 16.532 -10.983 -3.570 761 2HB ARG 101 2HB ARG 101 16.593 -10.832 -5.321 762 1HG ARG 101 1HG ARG 101 18.770 -10.400 -4.402 763 2HG ARG 101 2HG ARG 101 18.114 -8.908 -5.073 764 1HD ARG 101 1HD ARG 101 17.280 -8.482 -2.652 765 2HD ARG 101 2HD ARG 101 18.486 -9.692 -2.213 766 HE ARG 101 HE ARG 101 19.012 -7.055 -3.372 767 1HH1 ARG 101 1HH1 ARG 101 20.207 -10.044 -2.034 768 2HH1 ARG 101 2HH1 ARG 101 21.810 -9.438 -1.785 769 1HH2 ARG 101 1HH2 ARG 101 21.117 -6.254 -3.053 770 2HH2 ARG 101 2HH2 ARG 101 22.328 -7.283 -2.364 771 H LYS 102 H LYS 102 15.650 -9.603 -6.857 772 HA LYS 102 HA LYS 102 16.914 -7.308 -7.719 773 1HB LYS 102 1HB LYS 102 16.671 -9.024 -9.306 774 2HB LYS 102 2HB LYS 102 14.936 -9.150 -9.043 775 1HG LYS 102 1HG LYS 102 14.533 -7.124 -10.224 776 2HG LYS 102 2HG LYS 102 16.254 -6.747 -10.288 777 1HD LYS 102 1HD LYS 102 15.624 -7.575 -12.435 778 2HD LYS 102 2HD LYS 102 16.562 -8.841 -11.639 779 1HE LYS 102 1HE LYS 102 14.457 -9.944 -10.976 780 2HE LYS 102 2HE LYS 102 13.554 -8.704 -11.846 781 1HZ LYS 102 1HZ LYS 102 13.826 -10.722 -13.159 782 2HZ LYS 102 2HZ LYS 102 15.509 -10.577 -13.068 783 3HZ LYS 102 3HZ LYS 102 14.604 -9.410 -13.893 784 H VAL 103 H VAL 103 13.579 -7.840 -6.883 785 HA VAL 103 HA VAL 103 12.475 -5.487 -7.966 786 HB VAL 103 HB VAL 103 11.633 -7.318 -5.734 787 1HG1 VAL 103 1HG1 VAL 103 10.768 -5.225 -5.017 788 2HG1 VAL 103 2HG1 VAL 103 9.435 -6.073 -5.799 789 3HG1 VAL 103 3HG1 VAL 103 10.283 -4.785 -6.654 790 1HG2 VAL 103 1HG2 VAL 103 10.432 -6.728 -8.437 791 2HG2 VAL 103 2HG2 VAL 103 9.870 -7.938 -7.282 792 3HG2 VAL 103 3HG2 VAL 103 11.449 -8.114 -8.049 793 H ALA 104 H ALA 104 13.738 -6.234 -4.732 794 HA ALA 104 HA ALA 104 13.177 -3.763 -3.538 795 1HB ALA 104 1HB ALA 104 14.923 -4.428 -1.891 796 2HB ALA 104 2HB ALA 104 15.300 -5.809 -2.923 797 3HB ALA 104 3HB ALA 104 13.703 -5.665 -2.189 798 H VAL 105 H VAL 105 16.203 -4.938 -4.986 799 HA VAL 105 HA VAL 105 17.686 -2.591 -4.572 800 HB VAL 105 HB VAL 105 18.088 -4.696 -6.700 801 1HG1 VAL 105 1HG1 VAL 105 20.020 -2.680 -5.555 802 2HG1 VAL 105 2HG1 VAL 105 19.315 -2.635 -7.171 803 3HG1 VAL 105 3HG1 VAL 105 20.411 -3.942 -6.723 804 1HG2 VAL 105 1HG2 VAL 105 18.056 -5.695 -4.503 805 2HG2 VAL 105 2HG2 VAL 105 19.175 -4.474 -3.894 806 3HG2 VAL 105 3HG2 VAL 105 19.717 -5.646 -5.097 807 H ASN 106 H ASN 106 16.337 -3.809 -7.649 808 HA ASN 106 HA ASN 106 16.921 -1.554 -9.169 809 1HB ASN 106 1HB ASN 106 14.912 -3.757 -9.472 810 2HB ASN 106 2HB ASN 106 14.954 -2.421 -10.620 811 1HD2 ASN 106 1HD2 ASN 106 16.814 -5.051 -9.236 812 2HD2 ASN 106 2HD2 ASN 106 17.922 -5.208 -10.551 813 H TYR 107 H TYR 107 14.233 -2.097 -6.986 814 HA TYR 107 HA TYR 107 12.469 -0.166 -7.997 815 1HB TYR 107 1HB TYR 107 11.464 -1.524 -6.429 816 2HB TYR 107 2HB TYR 107 12.861 -1.510 -5.363 817 HD1 TYR 107 HD1 TYR 107 12.583 -0.476 -3.379 818 HD2 TYR 107 HD2 TYR 107 10.385 0.972 -6.705 819 HE1 TYR 107 HE1 TYR 107 11.525 1.206 -1.931 820 HE2 TYR 107 HE2 TYR 107 9.312 2.660 -5.276 821 HH TYR 107 HH TYR 107 10.421 3.401 -2.159 822 H LEU 108 H LEU 108 15.351 0.057 -6.092 823 HA LEU 108 HA LEU 108 15.114 2.579 -4.962 824 1HB LEU 108 1HB LEU 108 17.532 1.142 -6.047 825 2HB LEU 108 2HB LEU 108 17.622 2.622 -5.120 826 HG LEU 108 HG LEU 108 16.429 0.052 -4.088 827 1HD1 LEU 108 1HD1 LEU 108 19.122 1.259 -3.474 828 2HD1 LEU 108 2HD1 LEU 108 18.858 -0.115 -4.549 829 3HD1 LEU 108 3HD1 LEU 108 18.459 -0.247 -2.838 830 1HD2 LEU 108 1HD2 LEU 108 17.256 2.539 -2.599 831 2HD2 LEU 108 2HD2 LEU 108 16.427 1.124 -1.949 832 3HD2 LEU 108 3HD2 LEU 108 15.600 2.185 -3.089 833 H GLU 109 H GLU 109 15.618 1.649 -8.251 834 HA GLU 109 HA GLU 109 16.844 3.845 -9.376 835 1HB GLU 109 1HB GLU 109 16.156 1.706 -10.523 836 2HB GLU 109 2HB GLU 109 14.526 2.358 -10.619 837 1HG GLU 109 1HG GLU 109 16.884 3.812 -11.767 838 2HG GLU 109 2HG GLU 109 16.017 2.572 -12.670 839 H THR 110 H THR 110 13.514 3.487 -8.323 840 HA THR 110 HA THR 110 12.848 6.155 -9.315 841 HB THR 110 HB THR 110 10.538 5.627 -8.587 842 HG1 THR 110 HG1 THR 110 10.075 3.593 -7.783 843 1HG2 THR 110 1HG2 THR 110 11.233 5.123 -10.872 844 2HG2 THR 110 2HG2 THR 110 10.091 3.913 -10.288 845 3HG2 THR 110 3HG2 THR 110 11.813 3.540 -10.358 846 H HIS 111 H HIS 111 12.508 4.335 -6.258 847 HA HIS 111 HA HIS 111 13.022 6.846 -4.814 848 1HB HIS 111 1HB HIS 111 10.919 4.786 -4.107 849 2HB HIS 111 2HB HIS 111 11.340 6.184 -3.123 850 HD1 HIS 111 HD1 HIS 111 10.238 8.375 -3.699 851 HD2 HIS 111 HD2 HIS 111 9.608 5.450 -6.583 852 HE1 HIS 111 HE1 HIS 111 8.525 9.336 -5.271 853 HE2 HIS 111 HE2 HIS 111 8.176 7.558 -7.020 Start of MODEL 34 1 H MET 1 H MET 1 -20.701 13.528 4.638 2 HA MET 1 HA MET 1 -19.610 11.717 3.524 3 1HB MET 1 1HB MET 1 -21.608 10.360 3.101 4 2HB MET 1 2HB MET 1 -22.182 11.548 1.940 5 1HG MET 1 1HG MET 1 -20.209 11.103 0.543 6 2HG MET 1 2HG MET 1 -19.699 9.867 1.692 7 1HE MET 1 1HE MET 1 -23.580 9.592 -0.792 8 2HE MET 1 2HE MET 1 -22.431 10.920 -0.941 9 3HE MET 1 3HE MET 1 -23.359 10.719 0.546 10 H ALA 2 H ALA 2 -21.734 14.190 2.193 11 HA ALA 2 HA ALA 2 -20.028 14.758 -0.046 12 1HB ALA 2 1HB ALA 2 -22.335 16.320 1.108 13 2HB ALA 2 2HB ALA 2 -22.418 15.148 -0.207 14 3HB ALA 2 3HB ALA 2 -21.536 16.659 -0.428 15 H ASP 3 H ASP 3 -18.116 15.693 0.197 16 HA ASP 3 HA ASP 3 -16.445 17.059 0.906 17 1HB ASP 3 1HB ASP 3 -18.724 18.900 1.666 18 2HB ASP 3 2HB ASP 3 -17.039 19.370 1.458 19 H GLU 4 H GLU 4 -15.814 15.624 2.560 20 HA GLU 4 HA GLU 4 -16.045 16.763 5.216 21 1HB GLU 4 1HB GLU 4 -17.965 15.211 5.073 22 2HB GLU 4 2HB GLU 4 -16.862 13.900 4.676 23 1HG GLU 4 1HG GLU 4 -17.461 13.751 6.988 24 2HG GLU 4 2HG GLU 4 -15.763 14.208 6.863 25 H ASN 5 H ASN 5 -15.021 13.694 3.710 26 HA ASN 5 HA ASN 5 -12.294 14.219 4.690 27 1HB ASN 5 1HB ASN 5 -13.753 11.566 4.694 28 2HB ASN 5 2HB ASN 5 -12.048 11.778 5.086 29 1HD2 ASN 5 1HD2 ASN 5 -14.258 10.753 6.703 30 2HD2 ASN 5 2HD2 ASN 5 -14.300 11.737 8.123 31 H LYS 6 H LYS 6 -11.053 14.551 2.975 32 HA LYS 6 HA LYS 6 -11.708 13.420 0.399 33 1HB LYS 6 1HB LYS 6 -9.713 14.701 -0.372 34 2HB LYS 6 2HB LYS 6 -10.924 15.689 0.436 35 1HG LYS 6 1HG LYS 6 -9.591 15.648 2.484 36 2HG LYS 6 2HG LYS 6 -8.376 14.663 1.669 37 1HD LYS 6 1HD LYS 6 -7.902 16.444 0.116 38 2HD LYS 6 2HD LYS 6 -9.227 17.412 0.768 39 1HE LYS 6 1HE LYS 6 -7.047 18.160 1.606 40 2HE LYS 6 2HE LYS 6 -8.087 17.576 2.905 41 1HZ LYS 6 1HZ LYS 6 -5.864 16.741 3.190 42 2HZ LYS 6 2HZ LYS 6 -5.859 16.081 1.633 43 3HZ LYS 6 3HZ LYS 6 -6.894 15.453 2.814 44 H TRP 7 H TRP 7 -10.747 11.728 2.729 45 HA TRP 7 HA TRP 7 -8.735 10.262 1.187 46 1HB TRP 7 1HB TRP 7 -7.442 9.788 3.235 47 2HB TRP 7 2HB TRP 7 -7.465 11.505 2.848 48 HD1 TRP 7 HD1 TRP 7 -9.371 12.967 4.353 49 HE1 TRP 7 HE1 TRP 7 -9.909 12.715 6.857 50 HE3 TRP 7 HE3 TRP 7 -7.526 8.261 5.109 51 HZ2 TRP 7 HZ2 TRP 7 -9.589 10.778 8.887 52 HZ3 TRP 7 HZ3 TRP 7 -7.678 7.281 7.361 53 HH2 TRP 7 HH2 TRP 7 -8.688 8.514 9.210 54 H VAL 8 H VAL 8 -11.667 10.040 1.897 55 HA VAL 8 HA VAL 8 -11.553 7.238 2.778 56 HB VAL 8 HB VAL 8 -13.613 9.256 3.690 57 1HG1 VAL 8 1HG1 VAL 8 -14.409 7.376 5.125 58 2HG1 VAL 8 2HG1 VAL 8 -13.348 6.300 4.215 59 3HG1 VAL 8 3HG1 VAL 8 -14.672 7.131 3.398 60 1HG2 VAL 8 1HG2 VAL 8 -11.457 9.517 4.817 61 2HG2 VAL 8 2HG2 VAL 8 -11.478 7.808 5.255 62 3HG2 VAL 8 3HG2 VAL 8 -12.690 8.904 5.919 63 H ARG 9 H ARG 9 -13.149 9.762 0.949 64 HA ARG 9 HA ARG 9 -14.913 7.811 -0.343 65 1HB ARG 9 1HB ARG 9 -15.966 9.799 -1.388 66 2HB ARG 9 2HB ARG 9 -15.991 9.861 0.369 67 1HG ARG 9 1HG ARG 9 -14.095 11.392 0.353 68 2HG ARG 9 2HG ARG 9 -14.046 11.317 -1.409 69 1HD ARG 9 1HD ARG 9 -16.379 12.303 0.229 70 2HD ARG 9 2HD ARG 9 -15.195 13.335 -0.573 71 HE ARG 9 HE ARG 9 -16.669 11.442 -2.231 72 1HH1 ARG 9 1HH1 ARG 9 -16.232 14.719 -1.134 73 2HH1 ARG 9 2HH1 ARG 9 -17.129 15.412 -2.443 74 1HH2 ARG 9 1HH2 ARG 9 -17.844 12.345 -3.959 75 2HH2 ARG 9 2HH2 ARG 9 -18.044 14.062 -4.050 76 H ARG 10 H ARG 10 -11.858 8.868 -0.731 77 HA ARG 10 HA ARG 10 -11.734 9.381 -3.506 78 1HB ARG 10 1HB ARG 10 -9.892 9.974 -2.013 79 2HB ARG 10 2HB ARG 10 -9.636 8.279 -1.621 80 1HG ARG 10 1HG ARG 10 -8.926 7.816 -3.872 81 2HG ARG 10 2HG ARG 10 -9.307 9.466 -4.367 82 1HD ARG 10 1HD ARG 10 -6.904 9.158 -3.986 83 2HD ARG 10 2HD ARG 10 -7.601 10.332 -2.870 84 HE ARG 10 HE ARG 10 -7.684 7.910 -1.562 85 1HH1 ARG 10 1HH1 ARG 10 -5.218 9.951 -2.947 86 2HH1 ARG 10 2HH1 ARG 10 -3.997 9.454 -1.824 87 1HH2 ARG 10 1HH2 ARG 10 -6.083 7.256 -0.079 88 2HH2 ARG 10 2HH2 ARG 10 -4.489 7.921 -0.194 89 H ASP 11 H ASP 11 -12.595 7.994 -4.892 90 HA ASP 11 HA ASP 11 -12.810 6.138 -6.188 91 1HB ASP 11 1HB ASP 11 -10.644 5.031 -4.399 92 2HB ASP 11 2HB ASP 11 -11.304 4.176 -5.789 93 H VAL 12 H VAL 12 -13.714 6.461 -3.082 94 HA VAL 12 HA VAL 12 -14.511 3.901 -2.264 95 HB VAL 12 HB VAL 12 -14.591 6.143 -0.951 96 1HG1 VAL 12 1HG1 VAL 12 -17.391 6.112 -2.079 97 2HG1 VAL 12 2HG1 VAL 12 -16.136 7.277 -2.499 98 3HG1 VAL 12 3HG1 VAL 12 -16.764 7.215 -0.852 99 1HG2 VAL 12 1HG2 VAL 12 -15.181 3.935 -0.046 100 2HG2 VAL 12 2HG2 VAL 12 -16.827 4.143 -0.644 101 3HG2 VAL 12 3HG2 VAL 12 -16.200 5.218 0.606 102 H SER 13 H SER 13 -16.365 2.711 -2.569 103 HA SER 13 HA SER 13 -18.721 3.520 -3.776 104 1HB SER 13 1HB SER 13 -17.327 4.024 -5.734 105 2HB SER 13 2HB SER 13 -16.764 2.352 -5.765 106 HG SER 13 HG SER 13 -19.494 3.094 -5.980 107 H THR 14 H THR 14 -16.339 0.915 -3.636 108 HA THR 14 HA THR 14 -18.525 -1.025 -3.302 109 HB THR 14 HB THR 14 -15.723 -1.971 -3.610 110 HG1 THR 14 HG1 THR 14 -16.934 -1.541 -6.030 111 1HG2 THR 14 1HG2 THR 14 -16.841 -3.685 -4.982 112 2HG2 THR 14 2HG2 THR 14 -18.375 -2.842 -4.769 113 3HG2 THR 14 3HG2 THR 14 -17.563 -3.559 -3.379 114 H ALA 15 H ALA 15 -16.979 -3.036 -2.008 115 HA ALA 15 HA ALA 15 -16.922 -1.872 0.666 116 1HB ALA 15 1HB ALA 15 -16.792 -4.766 -0.166 117 2HB ALA 15 2HB ALA 15 -18.255 -3.893 0.288 118 3HB ALA 15 3HB ALA 15 -16.981 -4.158 1.478 119 H LEU 16 H LEU 16 -14.919 -4.386 -0.901 120 HA LEU 16 HA LEU 16 -12.667 -3.549 0.724 121 1HB LEU 16 1HB LEU 16 -11.528 -5.511 -0.312 122 2HB LEU 16 2HB LEU 16 -12.975 -5.889 0.600 123 HG LEU 16 HG LEU 16 -14.148 -5.804 -1.734 124 1HD1 LEU 16 1HD1 LEU 16 -11.288 -6.347 -2.510 125 2HD1 LEU 16 2HD1 LEU 16 -12.245 -4.941 -2.976 126 3HD1 LEU 16 3HD1 LEU 16 -12.695 -6.545 -3.555 127 1HD2 LEU 16 1HD2 LEU 16 -13.666 -8.196 -2.035 128 2HD2 LEU 16 2HD2 LEU 16 -13.999 -7.785 -0.352 129 3HD2 LEU 16 3HD2 LEU 16 -12.339 -8.058 -0.880 130 H SER 17 H SER 17 -13.850 -2.909 -2.391 131 HA SER 17 HA SER 17 -11.584 -2.674 -3.955 132 1HB SER 17 1HB SER 17 -13.871 -2.380 -4.812 133 2HB SER 17 2HB SER 17 -13.990 -0.842 -3.958 134 HG SER 17 HG SER 17 -13.230 -0.086 -5.773 135 H ARG 18 H ARG 18 -13.029 -0.133 -1.897 136 HA ARG 18 HA ARG 18 -10.515 0.899 -1.117 137 1HB ARG 18 1HB ARG 18 -10.596 1.650 -3.521 138 2HB ARG 18 2HB ARG 18 -11.985 2.643 -3.096 139 1HG ARG 18 1HG ARG 18 -10.173 4.105 -3.025 140 2HG ARG 18 2HG ARG 18 -10.471 3.698 -1.334 141 1HD ARG 18 1HD ARG 18 -8.080 3.655 -1.868 142 2HD ARG 18 2HD ARG 18 -8.673 2.062 -1.393 143 HE ARG 18 HE ARG 18 -8.416 1.326 -3.600 144 1HH1 ARG 18 1HH1 ARG 18 -7.509 4.674 -3.233 145 2HH1 ARG 18 2HH1 ARG 18 -6.669 4.744 -4.747 146 1HH2 ARG 18 1HH2 ARG 18 -7.317 1.413 -5.590 147 2HH2 ARG 18 2HH2 ARG 18 -6.562 2.890 -6.087 148 H MET 19 H MET 19 -10.919 1.616 0.847 149 HA MET 19 HA MET 19 -13.317 3.248 1.312 150 1HB MET 19 1HB MET 19 -12.321 0.998 3.067 151 2HB MET 19 2HB MET 19 -13.574 2.141 3.531 152 1HG MET 19 1HG MET 19 -13.733 0.301 1.157 153 2HG MET 19 2HG MET 19 -14.441 -0.035 2.735 154 1HE MET 19 1HE MET 19 -15.574 2.817 3.642 155 2HE MET 19 2HE MET 19 -16.406 1.269 3.788 156 3HE MET 19 3HE MET 19 -17.225 2.644 3.047 157 H GLY 20 H GLY 20 -10.005 2.489 2.024 158 1HA GLY 20 1HA GLY 20 -8.459 4.233 2.563 159 2HA GLY 20 2HA GLY 20 -9.763 5.091 3.368 160 H ASP 21 H ASP 21 -10.797 3.389 5.126 161 HA ASP 21 HA ASP 21 -8.590 2.213 6.645 162 1HB ASP 21 1HB ASP 21 -9.213 3.364 8.686 163 2HB ASP 21 2HB ASP 21 -8.870 4.550 7.431 164 H GLU 22 H GLU 22 -11.928 2.338 5.798 165 HA GLU 22 HA GLU 22 -12.837 0.528 7.831 166 1HB GLU 22 1HB GLU 22 -14.124 1.453 5.259 167 2HB GLU 22 2HB GLU 22 -14.919 0.443 6.460 168 1HG GLU 22 1HG GLU 22 -13.857 3.214 6.960 169 2HG GLU 22 2HG GLU 22 -15.542 2.813 6.632 170 H ALA 23 H ALA 23 -11.523 0.218 4.618 171 HA ALA 23 HA ALA 23 -12.170 -2.648 4.613 172 1HB ALA 23 1HB ALA 23 -12.877 -1.412 2.633 173 2HB ALA 23 2HB ALA 23 -11.656 -2.618 2.233 174 3HB ALA 23 3HB ALA 23 -11.210 -0.915 2.342 175 H PHE 24 H PHE 24 -9.650 -0.577 5.372 176 HA PHE 24 HA PHE 24 -7.416 -1.904 4.328 177 1HB PHE 24 1HB PHE 24 -7.648 0.369 5.641 178 2HB PHE 24 2HB PHE 24 -7.275 -0.646 7.032 179 HD1 PHE 24 HD1 PHE 24 -5.849 1.465 4.738 180 HD2 PHE 24 HD2 PHE 24 -5.272 -2.393 6.435 181 HE1 PHE 24 HE1 PHE 24 -3.461 1.580 4.184 182 HE2 PHE 24 HE2 PHE 24 -2.887 -2.284 5.884 183 HZ PHE 24 HZ PHE 24 -1.972 -0.295 4.758 184 H GLU 25 H GLU 25 -9.056 -2.336 7.467 185 HA GLU 25 HA GLU 25 -7.330 -4.367 8.377 186 1HB GLU 25 1HB GLU 25 -9.922 -4.841 9.429 187 2HB GLU 25 2HB GLU 25 -8.514 -4.179 10.242 188 1HG GLU 25 1HG GLU 25 -9.129 -1.938 9.554 189 2HG GLU 25 2HG GLU 25 -10.508 -2.573 8.658 190 HA PRO 26 HA PRO 26 -10.819 -7.513 6.773 191 1HB PRO 26 1HB PRO 26 -11.566 -5.926 4.373 192 2HB PRO 26 2HB PRO 26 -12.567 -6.972 5.383 193 1HG PRO 26 1HG PRO 26 -12.700 -4.281 5.498 194 2HG PRO 26 2HG PRO 26 -12.998 -5.315 6.905 195 1HD PRO 26 1HD PRO 26 -10.689 -3.579 6.296 196 2HD PRO 26 2HD PRO 26 -11.294 -4.149 7.860 197 H LEU 27 H LEU 27 -8.845 -5.314 5.001 198 HA LEU 27 HA LEU 27 -8.045 -7.106 2.922 199 1HB LEU 27 1HB LEU 27 -7.742 -5.013 2.141 200 2HB LEU 27 2HB LEU 27 -7.637 -4.338 3.758 201 HG LEU 27 HG LEU 27 -5.244 -5.220 3.799 202 1HD1 LEU 27 1HD1 LEU 27 -5.496 -6.734 1.872 203 2HD1 LEU 27 2HD1 LEU 27 -4.179 -5.580 1.660 204 3HD1 LEU 27 3HD1 LEU 27 -5.712 -5.332 0.825 205 1HD2 LEU 27 1HD2 LEU 27 -4.415 -3.258 2.610 206 2HD2 LEU 27 2HD2 LEU 27 -5.828 -2.860 3.586 207 3HD2 LEU 27 3HD2 LEU 27 -5.987 -3.052 1.841 208 H LEU 28 H LEU 28 -6.699 -5.891 5.944 209 HA LEU 28 HA LEU 28 -4.258 -7.379 5.761 210 1HB LEU 28 1HB LEU 28 -4.051 -5.438 7.024 211 2HB LEU 28 2HB LEU 28 -5.596 -5.667 7.818 212 HG LEU 28 HG LEU 28 -4.565 -7.554 9.112 213 1HD1 LEU 28 1HD1 LEU 28 -2.100 -7.606 9.228 214 2HD1 LEU 28 2HD1 LEU 28 -2.036 -6.496 7.860 215 3HD1 LEU 28 3HD1 LEU 28 -2.725 -8.106 7.658 216 1HD2 LEU 28 1HD2 LEU 28 -3.352 -4.810 9.393 217 2HD2 LEU 28 2HD2 LEU 28 -3.303 -6.069 10.626 218 3HD2 LEU 28 3HD2 LEU 28 -4.849 -5.385 10.126 219 H GLU 29 H GLU 29 -7.454 -8.065 6.671 220 HA GLU 29 HA GLU 29 -6.929 -10.106 8.598 221 1HB GLU 29 1HB GLU 29 -9.371 -9.318 7.024 222 2HB GLU 29 2HB GLU 29 -9.364 -10.715 8.092 223 1HG GLU 29 1HG GLU 29 -8.754 -7.891 8.935 224 2HG GLU 29 2HG GLU 29 -10.303 -8.706 9.145 225 H SER 30 H SER 30 -7.314 -9.952 5.132 226 HA SER 30 HA SER 30 -7.700 -12.707 4.642 227 1HB SER 30 1HB SER 30 -6.619 -10.496 2.887 228 2HB SER 30 2HB SER 30 -6.960 -12.126 2.307 229 HG SER 30 HG SER 30 -9.135 -11.806 2.933 230 H LEU 31 H LEU 31 -4.900 -10.854 5.430 231 HA LEU 31 HA LEU 31 -2.937 -12.537 4.281 232 1HB LEU 31 1HB LEU 31 -2.785 -10.644 6.625 233 2HB LEU 31 2HB LEU 31 -1.395 -11.449 5.926 234 HG LEU 31 HG LEU 31 -3.184 -9.489 4.484 235 1HD1 LEU 31 1HD1 LEU 31 -1.138 -8.061 4.532 236 2HD1 LEU 31 2HD1 LEU 31 -0.428 -9.210 5.666 237 3HD1 LEU 31 3HD1 LEU 31 -1.885 -8.320 6.107 238 1HD2 LEU 31 1HD2 LEU 31 -2.254 -11.152 2.970 239 2HD2 LEU 31 2HD2 LEU 31 -0.638 -10.851 3.608 240 3HD2 LEU 31 3HD2 LEU 31 -1.486 -9.585 2.720 241 H SER 32 H SER 32 -5.089 -13.082 6.775 242 HA SER 32 HA SER 32 -3.347 -15.121 7.994 243 1HB SER 32 1HB SER 32 -4.149 -13.411 9.579 244 2HB SER 32 2HB SER 32 -5.814 -13.798 9.152 245 HG SER 32 HG SER 32 -5.684 -15.648 10.233 246 H ASN 33 H ASN 33 -5.139 -15.171 5.525 247 HA ASN 33 HA ASN 33 -7.130 -17.153 6.282 248 1HB ASN 33 1HB ASN 33 -6.518 -15.656 3.754 249 2HB ASN 33 2HB ASN 33 -7.533 -17.094 3.709 250 1HD2 ASN 33 1HD2 ASN 33 -8.294 -14.421 3.054 251 2HD2 ASN 33 2HD2 ASN 33 -9.554 -13.967 4.146 252 H GLU 34 H GLU 34 -7.188 -19.262 5.522 253 HA GLU 34 HA GLU 34 -4.695 -20.577 5.323 254 1HB GLU 34 1HB GLU 34 -7.446 -21.629 4.638 255 2HB GLU 34 2HB GLU 34 -6.014 -22.603 4.947 256 1HG GLU 34 1HG GLU 34 -5.949 -21.797 7.245 257 2HG GLU 34 2HG GLU 34 -7.367 -20.795 6.937 258 H ASP 35 H ASP 35 -6.801 -19.179 2.989 259 HA ASP 35 HA ASP 35 -5.826 -20.676 0.740 260 1HB ASP 35 1HB ASP 35 -7.411 -18.102 0.866 261 2HB ASP 35 2HB ASP 35 -7.100 -19.027 -0.600 262 H TRP 36 H TRP 36 -4.473 -19.917 -0.927 263 HA TRP 36 HA TRP 36 -2.497 -17.975 -0.009 264 1HB TRP 36 1HB TRP 36 -1.286 -18.812 -2.142 265 2HB TRP 36 2HB TRP 36 -1.413 -19.901 -0.764 266 HD1 TRP 36 HD1 TRP 36 -2.847 -19.358 -4.284 267 HE1 TRP 36 HE1 TRP 36 -3.890 -21.570 -5.088 268 HE3 TRP 36 HE3 TRP 36 -2.424 -22.080 0.024 269 HZ2 TRP 36 HZ2 TRP 36 -4.458 -24.120 -4.046 270 HZ3 TRP 36 HZ3 TRP 36 -3.246 -24.401 0.033 271 HH2 TRP 36 HH2 TRP 36 -4.239 -25.395 -1.964 272 H ARG 37 H ARG 37 -4.756 -18.508 -2.660 273 HA ARG 37 HA ARG 37 -4.013 -16.369 -4.295 274 1HB ARG 37 1HB ARG 37 -6.718 -17.651 -3.888 275 2HB ARG 37 2HB ARG 37 -6.343 -16.523 -5.183 276 1HG ARG 37 1HG ARG 37 -4.563 -18.120 -5.931 277 2HG ARG 37 2HG ARG 37 -5.196 -19.268 -4.749 278 1HD ARG 37 1HD ARG 37 -7.400 -19.137 -5.847 279 2HD ARG 37 2HD ARG 37 -6.712 -18.051 -7.054 280 HE ARG 37 HE ARG 37 -6.007 -20.889 -6.719 281 1HH1 ARG 37 1HH1 ARG 37 -6.114 -17.976 -8.633 282 2HH1 ARG 37 2HH1 ARG 37 -5.599 -18.761 -10.088 283 1HH2 ARG 37 1HH2 ARG 37 -5.331 -21.929 -8.632 284 2HH2 ARG 37 2HH2 ARG 37 -5.156 -21.008 -10.088 285 H ILE 38 H ILE 38 -6.606 -16.517 -1.853 286 HA ILE 38 HA ILE 38 -7.501 -13.902 -2.053 287 HB ILE 38 HB ILE 38 -7.354 -15.440 0.536 288 1HG1 ILE 38 1HG1 ILE 38 -8.263 -16.902 -1.204 289 2HG1 ILE 38 2HG1 ILE 38 -9.529 -16.417 -0.083 290 1HG2 ILE 38 1HG2 ILE 38 -8.067 -13.121 0.744 291 2HG2 ILE 38 2HG2 ILE 38 -9.407 -14.221 1.069 292 3HG2 ILE 38 3HG2 ILE 38 -9.310 -13.382 -0.479 293 1HD1 ILE 38 1HD1 ILE 38 -9.049 -15.296 -2.833 294 2HD1 ILE 38 2HD1 ILE 38 -10.285 -14.734 -1.707 295 3HD1 ILE 38 3HD1 ILE 38 -10.354 -16.377 -2.344 296 H ARG 39 H ARG 39 -4.835 -15.202 -0.116 297 HA ARG 39 HA ARG 39 -4.277 -12.828 1.307 298 1HB ARG 39 1HB ARG 39 -3.461 -15.047 1.997 299 2HB ARG 39 2HB ARG 39 -2.406 -15.091 0.590 300 1HG ARG 39 1HG ARG 39 -1.252 -13.074 1.456 301 2HG ARG 39 2HG ARG 39 -2.247 -13.181 2.909 302 1HD ARG 39 1HD ARG 39 -0.338 -15.285 1.906 303 2HD ARG 39 2HD ARG 39 -0.060 -14.197 3.266 304 HE ARG 39 HE ARG 39 -2.298 -15.387 4.041 305 1HH1 ARG 39 1HH1 ARG 39 0.597 -16.743 2.651 306 2HH1 ARG 39 2HH1 ARG 39 0.402 -18.278 3.428 307 1HH2 ARG 39 1HH2 ARG 39 -2.562 -17.401 5.061 308 2HH2 ARG 39 2HH2 ARG 39 -1.396 -18.653 4.797 309 H GLY 40 H GLY 40 -3.443 -13.891 -1.898 310 1HA GLY 40 1HA GLY 40 -1.207 -12.224 -2.341 311 2HA GLY 40 2HA GLY 40 -2.244 -12.896 -3.588 312 H ALA 41 H ALA 41 -4.512 -11.765 -3.585 313 HA ALA 41 HA ALA 41 -4.298 -9.256 -4.605 314 1HB ALA 41 1HB ALA 41 -6.292 -10.615 -4.841 315 2HB ALA 41 2HB ALA 41 -6.709 -9.014 -4.228 316 3HB ALA 41 3HB ALA 41 -6.667 -10.396 -3.132 317 H ALA 42 H ALA 42 -4.237 -10.121 -1.260 318 HA ALA 42 HA ALA 42 -5.106 -7.750 -0.068 319 1HB ALA 42 1HB ALA 42 -3.926 -8.461 1.903 320 2HB ALA 42 2HB ALA 42 -2.924 -9.561 0.957 321 3HB ALA 42 3HB ALA 42 -4.651 -9.874 1.135 322 H ALA 43 H ALA 43 -1.742 -8.742 -0.758 323 HA ALA 43 HA ALA 43 -0.636 -6.215 -0.121 324 1HB ALA 43 1HB ALA 43 1.412 -7.052 -1.131 325 2HB ALA 43 2HB ALA 43 0.525 -8.396 -1.852 326 3HB ALA 43 3HB ALA 43 0.682 -8.280 -0.098 327 H TRP 44 H TRP 44 -2.127 -7.510 -2.958 328 HA TRP 44 HA TRP 44 -1.005 -5.848 -4.912 329 1HB TRP 44 1HB TRP 44 -3.497 -7.461 -4.691 330 2HB TRP 44 2HB TRP 44 -3.377 -6.300 -6.006 331 HD1 TRP 44 HD1 TRP 44 -1.413 -9.305 -4.581 332 HE1 TRP 44 HE1 TRP 44 -0.148 -10.427 -6.513 333 HE3 TRP 44 HE3 TRP 44 -2.633 -6.070 -8.348 334 HZ2 TRP 44 HZ2 TRP 44 0.289 -10.010 -9.263 335 HZ3 TRP 44 HZ3 TRP 44 -1.754 -6.509 -10.605 336 HH2 TRP 44 HH2 TRP 44 -0.326 -8.439 -11.053 337 H ILE 45 H ILE 45 -3.740 -5.353 -2.719 338 HA ILE 45 HA ILE 45 -4.173 -2.680 -3.854 339 HB ILE 45 HB ILE 45 -5.879 -4.148 -1.841 340 1HG1 ILE 45 1HG1 ILE 45 -5.780 -5.341 -4.000 341 2HG1 ILE 45 2HG1 ILE 45 -7.376 -4.665 -3.698 342 1HG2 ILE 45 1HG2 ILE 45 -6.374 -1.669 -3.483 343 2HG2 ILE 45 2HG2 ILE 45 -6.195 -1.765 -1.731 344 3HG2 ILE 45 3HG2 ILE 45 -7.594 -2.497 -2.516 345 1HD1 ILE 45 1HD1 ILE 45 -6.807 -2.775 -5.187 346 2HD1 ILE 45 2HD1 ILE 45 -6.786 -4.340 -6.001 347 3HD1 ILE 45 3HD1 ILE 45 -5.270 -3.563 -5.544 348 H ILE 46 H ILE 46 -2.873 -4.287 -1.114 349 HA ILE 46 HA ILE 46 -3.264 -2.467 0.933 350 HB ILE 46 HB ILE 46 -2.047 -4.824 0.841 351 1HG1 ILE 46 1HG1 ILE 46 -0.901 -3.211 3.000 352 2HG1 ILE 46 2HG1 ILE 46 -2.629 -2.947 2.759 353 1HG2 ILE 46 1HG2 ILE 46 0.332 -4.671 1.198 354 2HG2 ILE 46 2HG2 ILE 46 0.278 -2.916 1.041 355 3HG2 ILE 46 3HG2 ILE 46 -0.073 -3.937 -0.354 356 1HD1 ILE 46 1HD1 ILE 46 -1.317 -5.616 3.204 357 2HD1 ILE 46 2HD1 ILE 46 -3.045 -5.319 3.021 358 3HD1 ILE 46 3HD1 ILE 46 -2.185 -4.678 4.419 359 H GLY 47 H GLY 47 -0.827 -2.380 -1.631 360 1HA GLY 47 1HA GLY 47 0.652 -0.230 -0.450 361 2HA GLY 47 2HA GLY 47 0.822 -0.831 -2.091 362 H ASN 48 H ASN 48 -2.196 -0.378 -2.372 363 HA ASN 48 HA ASN 48 -1.974 2.183 -3.582 364 1HB ASN 48 1HB ASN 48 -4.411 0.471 -3.065 365 2HB ASN 48 2HB ASN 48 -4.376 1.897 -4.098 366 1HD2 ASN 48 1HD2 ASN 48 -4.975 -0.906 -4.729 367 2HD2 ASN 48 2HD2 ASN 48 -3.873 -1.351 -5.983 368 H PHE 49 H PHE 49 -2.264 1.483 -0.365 369 HA PHE 49 HA PHE 49 -4.011 3.778 0.164 370 1HB PHE 49 1HB PHE 49 -3.043 1.627 2.051 371 2HB PHE 49 2HB PHE 49 -4.137 2.938 2.476 372 HD1 PHE 49 HD1 PHE 49 -3.835 -0.350 1.081 373 HD2 PHE 49 HD2 PHE 49 -6.394 3.039 1.365 374 HE1 PHE 49 HE1 PHE 49 -5.750 -1.745 0.417 375 HE2 PHE 49 HE2 PHE 49 -8.313 1.650 0.700 376 HZ PHE 49 HZ PHE 49 -7.992 -0.746 0.226 377 H GLN 50 H GLN 50 -0.754 2.591 0.725 378 HA GLN 50 HA GLN 50 1.160 3.659 1.326 379 1HB GLN 50 1HB GLN 50 -0.579 6.021 0.706 380 2HB GLN 50 2HB GLN 50 1.009 6.255 1.423 381 1HG GLN 50 1HG GLN 50 1.951 4.910 -0.443 382 2HG GLN 50 2HG GLN 50 0.367 4.943 -1.196 383 1HE2 GLN 50 1HE2 GLN 50 1.675 7.606 0.638 384 2HE2 GLN 50 2HE2 GLN 50 1.873 8.686 -0.696 385 H ASP 51 H ASP 51 0.102 2.499 3.315 386 HA ASP 51 HA ASP 51 0.211 4.424 5.536 387 1HB ASP 51 1HB ASP 51 -1.631 2.048 5.237 388 2HB ASP 51 2HB ASP 51 -1.399 2.922 6.745 389 H GLU 52 H GLU 52 0.804 3.383 7.634 390 HA GLU 52 HA GLU 52 3.190 1.893 7.355 391 1HB GLU 52 1HB GLU 52 3.165 1.766 9.813 392 2HB GLU 52 2HB GLU 52 2.839 3.397 9.244 393 1HG GLU 52 1HG GLU 52 0.459 3.073 9.640 394 2HG GLU 52 2HG GLU 52 0.767 1.423 10.180 395 H ARG 53 H ARG 53 -0.124 1.047 7.985 396 HA ARG 53 HA ARG 53 0.313 -1.630 8.819 397 1HB ARG 53 1HB ARG 53 -1.758 -0.291 9.244 398 2HB ARG 53 2HB ARG 53 -2.157 -0.445 7.541 399 1HG ARG 53 1HG ARG 53 -2.470 -2.783 7.730 400 2HG ARG 53 2HG ARG 53 -1.766 -2.812 9.350 401 1HD ARG 53 1HD ARG 53 -4.370 -1.544 8.512 402 2HD ARG 53 2HD ARG 53 -4.160 -2.969 9.529 403 HE ARG 53 HE ARG 53 -2.938 -0.539 10.521 404 1HH1 ARG 53 1HH1 ARG 53 -5.732 -2.622 10.538 405 2HH1 ARG 53 2HH1 ARG 53 -6.335 -2.013 12.043 406 1HH2 ARG 53 1HH2 ARG 53 -3.727 0.270 12.500 407 2HH2 ARG 53 2HH2 ARG 53 -5.197 -0.370 13.158 408 H ALA 54 H ALA 54 0.752 -0.149 5.852 409 HA ALA 54 HA ALA 54 0.171 -2.600 4.330 410 1HB ALA 54 1HB ALA 54 -0.916 -0.646 3.427 411 2HB ALA 54 2HB ALA 54 0.363 -1.156 2.326 412 3HB ALA 54 3HB ALA 54 0.611 0.231 3.388 413 H VAL 55 H VAL 55 2.633 -1.289 5.960 414 HA VAL 55 HA VAL 55 4.724 -1.640 3.985 415 HB VAL 55 HB VAL 55 5.032 -1.116 6.940 416 1HG1 VAL 55 1HG1 VAL 55 7.044 -1.901 5.804 417 2HG1 VAL 55 2HG1 VAL 55 7.201 -0.214 6.296 418 3HG1 VAL 55 3HG1 VAL 55 6.873 -0.615 4.610 419 1HG2 VAL 55 1HG2 VAL 55 3.620 0.605 5.952 420 2HG2 VAL 55 2HG2 VAL 55 4.810 0.867 4.677 421 3HG2 VAL 55 3HG2 VAL 55 5.209 1.256 6.350 422 H GLU 56 H GLU 56 3.715 -3.185 7.027 423 HA GLU 56 HA GLU 56 5.716 -5.152 7.089 424 1HB GLU 56 1HB GLU 56 4.227 -4.557 9.000 425 2HB GLU 56 2HB GLU 56 2.915 -5.404 8.191 426 1HG GLU 56 1HG GLU 56 4.440 -7.442 8.202 427 2HG GLU 56 2HG GLU 56 5.438 -6.542 9.343 428 HA PRO 57 HA PRO 57 2.110 -7.951 4.952 429 1HB PRO 57 1HB PRO 57 1.561 -5.740 3.011 430 2HB PRO 57 2HB PRO 57 0.497 -7.039 3.563 431 1HG PRO 57 1HG PRO 57 0.254 -4.581 4.551 432 2HG PRO 57 2HG PRO 57 0.065 -6.003 5.593 433 1HD PRO 57 1HD PRO 57 2.302 -4.061 5.428 434 2HD PRO 57 2HD PRO 57 1.736 -5.021 6.808 435 H LEU 58 H LEU 58 3.982 -5.479 3.201 436 HA LEU 58 HA LEU 58 4.648 -7.130 1.017 437 1HB LEU 58 1HB LEU 58 6.275 -4.814 2.053 438 2HB LEU 58 2HB LEU 58 6.262 -5.456 0.422 439 HG LEU 58 HG LEU 58 4.184 -3.777 1.787 440 1HD1 LEU 58 1HD1 LEU 58 6.007 -2.692 0.553 441 2HD1 LEU 58 2HD1 LEU 58 4.423 -2.389 -0.160 442 3HD1 LEU 58 3HD1 LEU 58 5.511 -3.563 -0.898 443 1HD2 LEU 58 1HD2 LEU 58 2.945 -5.628 0.835 444 2HD2 LEU 58 2HD2 LEU 58 3.791 -5.432 -0.699 445 3HD2 LEU 58 3HD2 LEU 58 2.697 -4.173 -0.129 446 H ILE 59 H ILE 59 6.259 -6.492 4.088 447 HA ILE 59 HA ILE 59 8.711 -7.684 3.613 448 HB ILE 59 HB ILE 59 7.124 -7.664 6.179 449 1HG1 ILE 59 1HG1 ILE 59 7.585 -5.426 5.262 450 2HG1 ILE 59 2HG1 ILE 59 8.484 -5.709 6.748 451 1HG2 ILE 59 1HG2 ILE 59 10.040 -8.256 5.699 452 2HG2 ILE 59 2HG2 ILE 59 8.820 -9.356 6.340 453 3HG2 ILE 59 3HG2 ILE 59 9.328 -7.955 7.284 454 1HD1 ILE 59 1HD1 ILE 59 9.884 -4.580 5.166 455 2HD1 ILE 59 2HD1 ILE 59 9.563 -5.810 3.943 456 3HD1 ILE 59 3HD1 ILE 59 10.482 -6.224 5.391 457 H LYS 60 H LYS 60 5.879 -9.228 5.117 458 HA LYS 60 HA LYS 60 7.044 -11.814 5.156 459 1HB LYS 60 1HB LYS 60 5.313 -11.069 6.736 460 2HB LYS 60 2HB LYS 60 4.149 -11.001 5.423 461 1HG LYS 60 1HG LYS 60 5.554 -13.573 5.890 462 2HG LYS 60 2HG LYS 60 4.326 -13.076 7.054 463 1HD LYS 60 1HD LYS 60 3.882 -13.257 4.074 464 2HD LYS 60 2HD LYS 60 3.454 -14.522 5.227 465 1HE LYS 60 1HE LYS 60 2.372 -11.705 5.179 466 2HE LYS 60 2HE LYS 60 1.513 -13.161 4.676 467 1HZ LYS 60 1HZ LYS 60 1.596 -13.981 6.922 468 2HZ LYS 60 2HZ LYS 60 0.913 -12.434 6.925 469 3HZ LYS 60 3HZ LYS 60 2.515 -12.652 7.426 470 H LEU 61 H LEU 61 5.127 -10.134 2.747 471 HA LEU 61 HA LEU 61 4.518 -12.624 1.373 472 1HB LEU 61 1HB LEU 61 3.138 -10.305 1.611 473 2HB LEU 61 2HB LEU 61 3.868 -10.095 0.031 474 HG LEU 61 HG LEU 61 2.887 -12.225 -0.707 475 1HD1 LEU 61 1HD1 LEU 61 1.177 -13.307 0.699 476 2HD1 LEU 61 2HD1 LEU 61 1.608 -12.227 2.024 477 3HD1 LEU 61 3HD1 LEU 61 2.786 -13.388 1.413 478 1HD2 LEU 61 1HD2 LEU 61 1.659 -10.210 -1.162 479 2HD2 LEU 61 2HD2 LEU 61 0.951 -10.229 0.453 480 3HD2 LEU 61 3HD2 LEU 61 0.523 -11.483 -0.713 481 H LEU 62 H LEU 62 6.932 -10.141 1.121 482 HA LEU 62 HA LEU 62 7.502 -10.492 -1.634 483 1HB LEU 62 1HB LEU 62 9.059 -9.390 0.685 484 2HB LEU 62 2HB LEU 62 9.812 -9.589 -0.888 485 HG LEU 62 HG LEU 62 7.254 -8.046 -0.585 486 1HD1 LEU 62 1HD1 LEU 62 10.061 -6.987 -0.273 487 2HD1 LEU 62 2HD1 LEU 62 8.810 -7.028 0.968 488 3HD1 LEU 62 3HD1 LEU 62 8.612 -5.998 -0.450 489 1HD2 LEU 62 1HD2 LEU 62 7.861 -7.073 -2.658 490 2HD2 LEU 62 2HD2 LEU 62 8.112 -8.811 -2.826 491 3HD2 LEU 62 3HD2 LEU 62 9.491 -7.741 -2.574 492 H GLU 63 H GLU 63 8.099 -12.335 1.168 493 HA GLU 63 HA GLU 63 10.211 -13.936 -0.058 494 1HB GLU 63 1HB GLU 63 8.873 -14.676 2.504 495 2HB GLU 63 2HB GLU 63 10.555 -14.871 2.028 496 1HG GLU 63 1HG GLU 63 10.903 -12.456 2.277 497 2HG GLU 63 2HG GLU 63 9.227 -12.282 2.800 498 H ASP 64 H ASP 64 6.867 -13.772 0.033 499 HA ASP 64 HA ASP 64 5.978 -16.370 0.333 500 1HB ASP 64 1HB ASP 64 4.598 -14.248 0.036 501 2HB ASP 64 2HB ASP 64 4.835 -14.456 -1.697 502 H ASP 65 H ASP 65 5.640 -18.073 -1.032 503 HA ASP 65 HA ASP 65 7.132 -17.969 -3.577 504 1HB ASP 65 1HB ASP 65 8.037 -19.416 -1.655 505 2HB ASP 65 2HB ASP 65 6.679 -20.486 -1.991 506 H SER 66 H SER 66 4.211 -17.438 -3.130 507 HA SER 66 HA SER 66 2.941 -19.781 -4.306 508 1HB SER 66 1HB SER 66 1.760 -18.453 -2.573 509 2HB SER 66 2HB SER 66 1.740 -17.083 -3.677 510 HG SER 66 HG SER 66 -0.104 -18.808 -3.524 511 H GLY 67 H GLY 67 3.927 -16.542 -5.225 512 1HA GLY 67 1HA GLY 67 4.669 -16.437 -7.622 513 2HA GLY 67 2HA GLY 67 3.090 -17.116 -8.003 514 H PHE 68 H PHE 68 1.287 -15.773 -8.040 515 HA PHE 68 HA PHE 68 1.747 -13.032 -8.484 516 1HB PHE 68 1HB PHE 68 -0.370 -13.041 -9.242 517 2HB PHE 68 2HB PHE 68 -0.380 -14.763 -8.897 518 HD1 PHE 68 HD1 PHE 68 -1.349 -11.432 -7.587 519 HD2 PHE 68 HD2 PHE 68 -1.732 -15.663 -7.176 520 HE1 PHE 68 HE1 PHE 68 -3.229 -11.115 -6.041 521 HE2 PHE 68 HE2 PHE 68 -3.609 -15.338 -5.626 522 HZ PHE 68 HZ PHE 68 -4.361 -13.066 -5.057 523 H VAL 69 H VAL 69 1.100 -14.889 -5.656 524 HA VAL 69 HA VAL 69 0.274 -12.798 -3.939 525 HB VAL 69 HB VAL 69 1.704 -15.326 -3.153 526 1HG1 VAL 69 1HG1 VAL 69 -0.232 -13.628 -1.594 527 2HG1 VAL 69 2HG1 VAL 69 1.520 -13.583 -1.414 528 3HG1 VAL 69 3HG1 VAL 69 0.631 -15.052 -1.017 529 1HG2 VAL 69 1HG2 VAL 69 -1.233 -14.836 -3.618 530 2HG2 VAL 69 2HG2 VAL 69 -0.569 -16.269 -2.832 531 3HG2 VAL 69 3HG2 VAL 69 -0.182 -15.929 -4.520 532 H ARG 70 H ARG 70 3.381 -14.122 -4.864 533 HA ARG 70 HA ARG 70 4.903 -12.618 -2.975 534 1HB ARG 70 1HB ARG 70 5.635 -14.767 -4.080 535 2HB ARG 70 2HB ARG 70 5.877 -13.845 -5.558 536 1HG ARG 70 1HG ARG 70 7.373 -12.347 -4.078 537 2HG ARG 70 2HG ARG 70 7.397 -13.733 -2.992 538 1HD ARG 70 1HD ARG 70 8.298 -13.637 -5.861 539 2HD ARG 70 2HD ARG 70 9.308 -13.855 -4.435 540 HE ARG 70 HE ARG 70 7.348 -15.897 -4.613 541 1HH1 ARG 70 1HH1 ARG 70 10.370 -14.848 -5.995 542 2HH1 ARG 70 2HH1 ARG 70 10.866 -16.444 -6.446 543 1HH2 ARG 70 1HH2 ARG 70 7.994 -18.002 -5.204 544 2HH2 ARG 70 2HH2 ARG 70 9.515 -18.237 -5.997 545 H SER 71 H SER 71 4.502 -12.381 -6.501 546 HA SER 71 HA SER 71 5.886 -9.987 -6.870 547 1HB SER 71 1HB SER 71 5.253 -11.492 -8.714 548 2HB SER 71 2HB SER 71 3.561 -11.061 -8.475 549 HG SER 71 HG SER 71 5.679 -9.390 -9.335 550 H GLY 72 H GLY 72 2.700 -10.600 -5.670 551 1HA GLY 72 1HA GLY 72 1.429 -8.178 -6.193 552 2HA GLY 72 2HA GLY 72 1.103 -9.203 -4.803 553 H ALA 73 H ALA 73 3.483 -9.075 -3.447 554 HA ALA 73 HA ALA 73 3.251 -6.559 -2.146 555 1HB ALA 73 1HB ALA 73 5.093 -7.347 -0.744 556 2HB ALA 73 2HB ALA 73 5.361 -8.695 -1.849 557 3HB ALA 73 3HB ALA 73 3.857 -8.590 -0.934 558 H ALA 74 H ALA 74 5.336 -7.858 -4.611 559 HA ALA 74 HA ALA 74 7.470 -6.049 -4.426 560 1HB ALA 74 1HB ALA 74 8.048 -6.758 -6.670 561 2HB ALA 74 2HB ALA 74 6.442 -7.453 -6.888 562 3HB ALA 74 3HB ALA 74 7.549 -8.146 -5.703 563 H ARG 75 H ARG 75 4.616 -5.983 -6.571 564 HA ARG 75 HA ARG 75 5.247 -3.502 -7.762 565 1HB ARG 75 1HB ARG 75 3.041 -3.573 -8.713 566 2HB ARG 75 2HB ARG 75 3.711 -5.198 -8.736 567 1HG ARG 75 1HG ARG 75 2.392 -5.802 -6.796 568 2HG ARG 75 2HG ARG 75 1.766 -4.157 -6.687 569 1HD ARG 75 1HD ARG 75 1.293 -6.163 -8.882 570 2HD ARG 75 2HD ARG 75 0.110 -5.509 -7.750 571 HE ARG 75 HE ARG 75 0.553 -3.311 -8.883 572 1HH1 ARG 75 1HH1 ARG 75 1.050 -6.344 -10.524 573 2HH1 ARG 75 2HH1 ARG 75 0.762 -5.688 -12.100 574 1HH2 ARG 75 1HH2 ARG 75 0.170 -2.437 -10.955 575 2HH2 ARG 75 2HH2 ARG 75 0.266 -3.465 -12.346 576 H SER 76 H SER 76 3.784 -4.315 -4.754 577 HA SER 76 HA SER 76 2.189 -2.074 -4.282 578 1HB SER 76 1HB SER 76 2.098 -4.012 -2.829 579 2HB SER 76 2HB SER 76 3.771 -3.759 -2.333 580 HG SER 76 HG SER 76 2.791 -1.541 -1.725 581 H LEU 77 H LEU 77 5.649 -2.505 -4.009 582 HA LEU 77 HA LEU 77 6.376 -0.316 -2.477 583 1HB LEU 77 1HB LEU 77 7.700 -1.656 -4.817 584 2HB LEU 77 2HB LEU 77 8.461 -0.329 -3.973 585 HG LEU 77 HG LEU 77 8.584 -1.625 -1.937 586 1HD1 LEU 77 1HD1 LEU 77 7.856 -3.913 -1.796 587 2HD1 LEU 77 2HD1 LEU 77 7.292 -3.875 -3.466 588 3HD1 LEU 77 3HD1 LEU 77 6.483 -2.898 -2.240 589 1HD2 LEU 77 1HD2 LEU 77 10.024 -3.495 -2.814 590 2HD2 LEU 77 2HD2 LEU 77 10.428 -1.876 -3.379 591 3HD2 LEU 77 3HD2 LEU 77 9.547 -2.980 -4.432 592 H GLU 78 H GLU 78 6.458 -0.409 -6.036 593 HA GLU 78 HA GLU 78 6.822 2.297 -6.477 594 1HB GLU 78 1HB GLU 78 5.323 0.330 -8.211 595 2HB GLU 78 2HB GLU 78 5.928 1.893 -8.741 596 1HG GLU 78 1HG GLU 78 8.211 1.170 -8.312 597 2HG GLU 78 2HG GLU 78 7.619 -0.391 -7.746 598 H GLN 79 H GLN 79 3.876 0.544 -5.809 599 HA GLN 79 HA GLN 79 2.084 2.638 -6.536 600 1HB GLN 79 1HB GLN 79 1.702 0.266 -4.703 601 2HB GLN 79 2HB GLN 79 0.411 1.330 -5.246 602 1HG GLN 79 1HG GLN 79 0.748 0.657 -7.527 603 2HG GLN 79 2HG GLN 79 2.155 -0.304 -7.074 604 1HE2 GLN 79 1HE2 GLN 79 0.851 -1.210 -4.598 605 2HE2 GLN 79 2HE2 GLN 79 -0.283 -2.416 -5.085 606 H ILE 80 H ILE 80 3.938 1.911 -3.694 607 HA ILE 80 HA ILE 80 2.405 3.657 -1.982 608 HB ILE 80 HB ILE 80 4.996 2.172 -1.528 609 1HG1 ILE 80 1HG1 ILE 80 2.263 1.765 -0.295 610 2HG1 ILE 80 2HG1 ILE 80 2.838 0.874 -1.698 611 1HG2 ILE 80 1HG2 ILE 80 4.797 2.827 0.824 612 2HG2 ILE 80 2HG2 ILE 80 3.390 3.816 0.437 613 3HG2 ILE 80 3HG2 ILE 80 4.973 4.243 -0.214 614 1HD1 ILE 80 1HD1 ILE 80 3.124 -0.458 0.274 615 2HD1 ILE 80 2HD1 ILE 80 4.018 0.839 1.066 616 3HD1 ILE 80 3HD1 ILE 80 4.710 0.019 -0.334 617 H GLY 81 H GLY 81 5.825 3.693 -3.097 618 1HA GLY 81 1HA GLY 81 5.775 6.420 -3.808 619 2HA GLY 81 2HA GLY 81 6.350 6.281 -2.154 620 H GLY 82 H GLY 82 8.440 6.206 -1.919 621 1HA GLY 82 1HA GLY 82 10.103 4.632 -3.689 622 2HA GLY 82 2HA GLY 82 10.368 6.368 -3.788 623 H GLU 83 H GLU 83 10.719 7.459 -1.640 624 HA GLU 83 HA GLU 83 12.910 6.199 -0.323 625 1HB GLU 83 1HB GLU 83 12.798 8.628 -0.699 626 2HB GLU 83 2HB GLU 83 11.416 8.730 0.381 627 1HG GLU 83 1HG GLU 83 12.812 7.958 2.234 628 2HG GLU 83 2HG GLU 83 14.197 7.872 1.147 629 H ARG 84 H ARG 84 9.530 6.292 0.235 630 HA ARG 84 HA ARG 84 9.646 5.842 3.055 631 1HB ARG 84 1HB ARG 84 7.157 5.162 2.631 632 2HB ARG 84 2HB ARG 84 7.641 6.845 2.513 633 1HG ARG 84 1HG ARG 84 7.683 5.191 0.042 634 2HG ARG 84 2HG ARG 84 6.119 5.709 0.683 635 1HD ARG 84 1HD ARG 84 8.437 7.470 -0.130 636 2HD ARG 84 2HD ARG 84 6.877 7.327 -0.931 637 HE ARG 84 HE ARG 84 6.324 8.124 1.643 638 1HH1 ARG 84 1HH1 ARG 84 8.163 9.357 -1.049 639 2HH1 ARG 84 2HH1 ARG 84 7.926 11.018 -0.617 640 1HH2 ARG 84 1HH2 ARG 84 6.005 10.311 2.216 641 2HH2 ARG 84 2HH2 ARG 84 6.704 11.558 1.240 642 H VAL 85 H VAL 85 8.668 3.777 0.322 643 HA VAL 85 HA VAL 85 8.595 1.418 1.907 644 HB VAL 85 HB VAL 85 9.168 1.109 -0.980 645 1HG1 VAL 85 1HG1 VAL 85 8.517 -0.763 0.469 646 2HG1 VAL 85 2HG1 VAL 85 7.361 -0.504 -0.836 647 3HG1 VAL 85 3HG1 VAL 85 6.981 0.038 0.798 648 1HG2 VAL 85 1HG2 VAL 85 6.878 1.786 -1.618 649 2HG2 VAL 85 2HG2 VAL 85 7.874 3.139 -1.083 650 3HG2 VAL 85 3HG2 VAL 85 6.659 2.458 -0.003 651 H ARG 86 H ARG 86 11.038 3.118 0.142 652 HA ARG 86 HA ARG 86 12.998 1.329 -0.405 653 1HB ARG 86 1HB ARG 86 13.270 3.692 -0.846 654 2HB ARG 86 2HB ARG 86 13.341 4.043 0.874 655 1HG ARG 86 1HG ARG 86 15.422 2.705 1.010 656 2HG ARG 86 2HG ARG 86 15.366 2.513 -0.743 657 1HD ARG 86 1HD ARG 86 16.860 4.323 -0.157 658 2HD ARG 86 2HD ARG 86 15.443 4.957 -0.993 659 HE ARG 86 HE ARG 86 14.736 5.209 1.583 660 1HH1 ARG 86 1HH1 ARG 86 17.622 6.125 -0.146 661 2HH1 ARG 86 2HH1 ARG 86 17.974 7.464 0.895 662 1HH2 ARG 86 1HH2 ARG 86 15.193 6.969 2.956 663 2HH2 ARG 86 2HH2 ARG 86 16.594 7.942 2.659 664 H ALA 87 H ALA 87 12.109 2.455 2.796 665 HA ALA 87 HA ALA 87 14.299 1.562 4.258 666 1HB ALA 87 1HB ALA 87 12.842 1.597 6.193 667 2HB ALA 87 2HB ALA 87 11.418 1.597 5.154 668 3HB ALA 87 3HB ALA 87 12.501 2.988 5.165 669 H ALA 88 H ALA 88 11.273 -0.129 3.474 670 HA ALA 88 HA ALA 88 12.038 -2.568 4.703 671 1HB ALA 88 1HB ALA 88 10.098 -3.520 3.531 672 2HB ALA 88 2HB ALA 88 9.939 -2.030 2.601 673 3HB ALA 88 3HB ALA 88 9.697 -2.010 4.349 674 H MET 89 H MET 89 12.369 -1.254 1.463 675 HA MET 89 HA MET 89 13.103 -3.612 0.128 676 1HB MET 89 1HB MET 89 13.851 -0.732 -0.369 677 2HB MET 89 2HB MET 89 14.330 -2.037 -1.433 678 1HG MET 89 1HG MET 89 12.284 -0.680 -2.057 679 2HG MET 89 2HG MET 89 12.164 -2.426 -2.147 680 1HE MET 89 1HE MET 89 11.253 -3.732 0.402 681 2HE MET 89 2HE MET 89 10.374 -3.770 -1.125 682 3HE MET 89 3HE MET 89 9.525 -3.390 0.371 683 H GLU 90 H GLU 90 15.047 -1.121 1.706 684 HA GLU 90 HA GLU 90 17.569 -2.229 1.340 685 1HB GLU 90 1HB GLU 90 16.465 -0.638 3.664 686 2HB GLU 90 2HB GLU 90 18.168 -1.010 3.459 687 1HG GLU 90 1HG GLU 90 18.102 0.188 1.282 688 2HG GLU 90 2HG GLU 90 16.447 0.664 1.652 689 H LYS 91 H LYS 91 15.041 -2.914 3.665 690 HA LYS 91 HA LYS 91 16.633 -4.720 5.239 691 1HB LYS 91 1HB LYS 91 14.295 -3.384 5.674 692 2HB LYS 91 2HB LYS 91 13.704 -5.007 5.353 693 1HG LYS 91 1HG LYS 91 15.825 -4.377 7.390 694 2HG LYS 91 2HG LYS 91 14.103 -4.486 7.759 695 1HD LYS 91 1HD LYS 91 14.093 -6.805 6.937 696 2HD LYS 91 2HD LYS 91 15.825 -6.686 6.618 697 1HE LYS 91 1HE LYS 91 16.279 -6.355 8.963 698 2HE LYS 91 2HE LYS 91 14.554 -6.312 9.326 699 1HZ LYS 91 1HZ LYS 91 14.374 -8.609 8.632 700 2HZ LYS 91 2HZ LYS 91 15.545 -8.464 9.845 701 3HZ LYS 91 3HZ LYS 91 16.017 -8.654 8.232 702 H LEU 92 H LEU 92 14.679 -5.001 2.373 703 HA LEU 92 HA LEU 92 14.462 -7.873 2.594 704 1HB LEU 92 1HB LEU 92 12.608 -7.192 1.493 705 2HB LEU 92 2HB LEU 92 13.377 -5.747 0.871 706 HG LEU 92 HG LEU 92 14.532 -7.204 -0.820 707 1HD1 LEU 92 1HD1 LEU 92 13.669 -9.409 -1.256 708 2HD1 LEU 92 2HD1 LEU 92 12.486 -9.249 0.041 709 3HD1 LEU 92 3HD1 LEU 92 14.205 -9.339 0.424 710 1HD2 LEU 92 1HD2 LEU 92 12.749 -7.066 -2.316 711 2HD2 LEU 92 2HD2 LEU 92 12.353 -5.853 -1.099 712 3HD2 LEU 92 3HD2 LEU 92 11.554 -7.425 -1.072 713 H ALA 93 H ALA 93 16.548 -5.496 1.219 714 HA ALA 93 HA ALA 93 17.806 -6.988 -0.795 715 1HB ALA 93 1HB ALA 93 18.133 -4.586 -0.567 716 2HB ALA 93 2HB ALA 93 19.686 -5.422 -0.510 717 3HB ALA 93 3HB ALA 93 18.950 -4.827 0.978 718 H GLU 94 H GLU 94 18.065 -7.011 2.659 719 HA GLU 94 HA GLU 94 20.523 -8.508 2.755 720 1HB GLU 94 1HB GLU 94 19.869 -6.927 4.541 721 2HB GLU 94 2HB GLU 94 18.493 -7.951 4.925 722 1HG GLU 94 1HG GLU 94 20.372 -8.249 6.467 723 2HG GLU 94 2HG GLU 94 19.946 -9.732 5.616 724 H THR 95 H THR 95 17.137 -9.161 2.597 725 HA THR 95 HA THR 95 17.628 -12.036 3.029 726 HB THR 95 HB THR 95 15.052 -12.130 3.118 727 HG1 THR 95 HG1 THR 95 14.529 -10.082 2.413 728 1HG2 THR 95 1HG2 THR 95 16.452 -12.454 5.093 729 2HG2 THR 95 2HG2 THR 95 15.008 -11.526 5.501 730 3HG2 THR 95 3HG2 THR 95 16.560 -10.708 5.319 731 H GLY 96 H GLY 96 17.993 -10.142 0.690 732 1HA GLY 96 1HA GLY 96 16.150 -10.557 -1.325 733 2HA GLY 96 2HA GLY 96 17.860 -10.261 -1.581 734 H THR 97 H THR 97 15.399 -12.339 -2.156 735 HA THR 97 HA THR 97 17.267 -14.446 -2.947 736 HB THR 97 HB THR 97 16.420 -15.242 -0.818 737 HG1 THR 97 HG1 THR 97 14.950 -17.017 -2.006 738 1HG2 THR 97 1HG2 THR 97 14.372 -13.976 -0.631 739 2HG2 THR 97 2HG2 THR 97 13.993 -15.695 -0.530 740 3HG2 THR 97 3HG2 THR 97 13.684 -14.811 -2.024 741 H GLY 98 H GLY 98 16.854 -15.245 -4.924 742 1HA GLY 98 1HA GLY 98 15.857 -15.490 -6.979 743 2HA GLY 98 2HA GLY 98 14.355 -15.657 -6.082 744 H PHE 99 H PHE 99 12.857 -14.355 -6.860 745 HA PHE 99 HA PHE 99 13.529 -11.933 -8.271 746 1HB PHE 99 1HB PHE 99 11.700 -13.216 -9.137 747 2HB PHE 99 2HB PHE 99 10.903 -13.258 -7.569 748 HD1 PHE 99 HD1 PHE 99 11.996 -10.900 -10.231 749 HD2 PHE 99 HD2 PHE 99 9.271 -11.699 -7.062 750 HE1 PHE 99 HE1 PHE 99 10.703 -8.899 -10.843 751 HE2 PHE 99 HE2 PHE 99 7.973 -9.699 -7.669 752 HZ PHE 99 HZ PHE 99 8.688 -8.296 -9.562 753 H ALA 100 H ALA 100 12.395 -12.839 -5.111 754 HA ALA 100 HA ALA 100 11.268 -10.523 -4.137 755 1HB ALA 100 1HB ALA 100 11.962 -11.276 -1.924 756 2HB ALA 100 2HB ALA 100 13.098 -12.408 -2.656 757 3HB ALA 100 3HB ALA 100 11.364 -12.622 -2.893 758 H ARG 101 H ARG 101 14.678 -11.277 -4.584 759 HA ARG 101 HA ARG 101 15.690 -9.032 -3.164 760 1HB ARG 101 1HB ARG 101 17.036 -11.037 -3.621 761 2HB ARG 101 2HB ARG 101 16.971 -10.677 -5.339 762 1HG ARG 101 1HG ARG 101 18.466 -8.968 -5.189 763 2HG ARG 101 2HG ARG 101 18.026 -8.583 -3.525 764 1HD ARG 101 1HD ARG 101 19.170 -10.601 -2.760 765 2HD ARG 101 2HD ARG 101 19.615 -10.984 -4.424 766 HE ARG 101 HE ARG 101 20.480 -8.411 -3.370 767 1HH1 ARG 101 1HH1 ARG 101 21.291 -11.705 -4.175 768 2HH1 ARG 101 2HH1 ARG 101 22.998 -11.411 -4.200 769 1HH2 ARG 101 1HH2 ARG 101 22.716 -8.017 -3.402 770 2HH2 ARG 101 2HH2 ARG 101 23.808 -9.313 -3.763 771 H LYS 102 H LYS 102 15.652 -9.697 -6.662 772 HA LYS 102 HA LYS 102 16.515 -7.281 -7.608 773 1HB LYS 102 1HB LYS 102 16.049 -9.313 -8.972 774 2HB LYS 102 2HB LYS 102 14.330 -8.954 -8.862 775 1HG LYS 102 1HG LYS 102 15.078 -8.165 -10.965 776 2HG LYS 102 2HG LYS 102 14.821 -6.747 -9.944 777 1HD LYS 102 1HD LYS 102 16.883 -6.452 -11.135 778 2HD LYS 102 2HD LYS 102 17.262 -6.752 -9.439 779 1HE LYS 102 1HE LYS 102 17.699 -9.115 -9.981 780 2HE LYS 102 2HE LYS 102 17.378 -8.768 -11.680 781 1HZ LYS 102 1HZ LYS 102 19.239 -7.226 -11.677 782 2HZ LYS 102 2HZ LYS 102 19.745 -8.773 -11.215 783 3HZ LYS 102 3HZ LYS 102 19.548 -7.564 -10.048 784 H VAL 103 H VAL 103 13.519 -7.984 -6.093 785 HA VAL 103 HA VAL 103 11.911 -5.931 -7.136 786 HB VAL 103 HB VAL 103 11.859 -7.443 -4.536 787 1HG1 VAL 103 1HG1 VAL 103 9.571 -6.500 -4.212 788 2HG1 VAL 103 2HG1 VAL 103 9.910 -5.351 -5.507 789 3HG1 VAL 103 3HG1 VAL 103 10.863 -5.315 -4.023 790 1HG2 VAL 103 1HG2 VAL 103 9.906 -7.494 -6.822 791 2HG2 VAL 103 2HG2 VAL 103 10.076 -8.655 -5.504 792 3HG2 VAL 103 3HG2 VAL 103 11.320 -8.541 -6.747 793 H ALA 104 H ALA 104 13.599 -6.026 -3.988 794 HA ALA 104 HA ALA 104 13.097 -3.389 -3.234 795 1HB ALA 104 1HB ALA 104 15.208 -5.371 -2.483 796 2HB ALA 104 2HB ALA 104 13.840 -4.781 -1.537 797 3HB ALA 104 3HB ALA 104 15.227 -3.734 -1.828 798 H VAL 105 H VAL 105 16.159 -4.668 -4.437 799 HA VAL 105 HA VAL 105 17.559 -2.316 -4.670 800 HB VAL 105 HB VAL 105 18.727 -4.372 -4.827 801 1HG1 VAL 105 1HG1 VAL 105 17.359 -4.939 -7.446 802 2HG1 VAL 105 2HG1 VAL 105 16.864 -5.634 -5.903 803 3HG1 VAL 105 3HG1 VAL 105 18.462 -5.989 -6.557 804 1HG2 VAL 105 1HG2 VAL 105 18.885 -2.991 -7.504 805 2HG2 VAL 105 2HG2 VAL 105 20.118 -4.040 -6.802 806 3HG2 VAL 105 3HG2 VAL 105 19.730 -2.498 -6.037 807 H ASN 106 H ASN 106 15.886 -3.973 -7.372 808 HA ASN 106 HA ASN 106 16.432 -2.000 -9.281 809 1HB ASN 106 1HB ASN 106 15.656 -4.269 -9.850 810 2HB ASN 106 2HB ASN 106 14.064 -3.876 -9.206 811 1HD2 ASN 106 1HD2 ASN 106 13.041 -4.217 -11.160 812 2HD2 ASN 106 2HD2 ASN 106 13.205 -3.135 -12.497 813 H TYR 107 H TYR 107 13.831 -2.229 -6.921 814 HA TYR 107 HA TYR 107 12.109 -0.321 -8.048 815 1HB TYR 107 1HB TYR 107 11.228 -1.756 -6.402 816 2HB TYR 107 2HB TYR 107 12.531 -1.401 -5.278 817 HD1 TYR 107 HD1 TYR 107 12.055 -0.095 -3.538 818 HD2 TYR 107 HD2 TYR 107 9.825 0.456 -7.090 819 HE1 TYR 107 HE1 TYR 107 10.690 1.597 -2.392 820 HE2 TYR 107 HE2 TYR 107 8.447 2.155 -5.973 821 HH TYR 107 HH TYR 107 9.234 3.376 -2.820 822 H LEU 108 H LEU 108 15.051 -0.084 -6.266 823 HA LEU 108 HA LEU 108 14.840 2.484 -5.192 824 1HB LEU 108 1HB LEU 108 17.274 1.052 -6.257 825 2HB LEU 108 2HB LEU 108 17.315 2.493 -5.269 826 HG LEU 108 HG LEU 108 16.231 -0.183 -4.395 827 1HD1 LEU 108 1HD1 LEU 108 18.643 -0.229 -4.646 828 2HD1 LEU 108 2HD1 LEU 108 18.205 -0.239 -2.938 829 3HD1 LEU 108 3HD1 LEU 108 18.790 1.245 -3.689 830 1HD2 LEU 108 1HD2 LEU 108 16.531 2.447 -2.960 831 2HD2 LEU 108 2HD2 LEU 108 16.281 0.908 -2.136 832 3HD2 LEU 108 3HD2 LEU 108 15.050 1.529 -3.237 833 H GLU 109 H GLU 109 14.898 1.492 -8.410 834 HA GLU 109 HA GLU 109 16.263 3.628 -9.644 835 1HB GLU 109 1HB GLU 109 15.583 1.420 -10.691 836 2HB GLU 109 2HB GLU 109 13.960 2.078 -10.829 837 1HG GLU 109 1HG GLU 109 14.802 3.876 -12.244 838 2HG GLU 109 2HG GLU 109 16.435 3.230 -12.096 839 H THR 110 H THR 110 13.463 3.641 -7.851 840 HA THR 110 HA THR 110 12.174 5.805 -9.321 841 HB THR 110 HB THR 110 10.402 5.647 -7.601 842 HG1 THR 110 HG1 THR 110 11.100 3.327 -6.464 843 1HG2 THR 110 1HG2 THR 110 9.558 3.442 -8.223 844 2HG2 THR 110 2HG2 THR 110 11.164 2.971 -8.780 845 3HG2 THR 110 3HG2 THR 110 10.279 4.245 -9.618 846 H HIS 111 H HIS 111 13.506 5.192 -6.072 847 HA HIS 111 HA HIS 111 14.271 8.012 -5.924 848 1HB HIS 111 1HB HIS 111 12.037 7.678 -4.773 849 2HB HIS 111 2HB HIS 111 12.880 6.658 -3.612 850 HD1 HIS 111 HD1 HIS 111 15.021 7.987 -2.425 851 HD2 HIS 111 HD2 HIS 111 11.940 10.271 -4.023 852 HE1 HIS 111 HE1 HIS 111 15.233 10.251 -1.348 853 HE2 HIS 111 HE2 HIS 111 13.352 11.614 -2.321 Start of MODEL 35 1 H MET 1 H MET 1 -7.259 4.833 19.035 2 HA MET 1 HA MET 1 -7.309 4.352 21.956 3 1HB MET 1 1HB MET 1 -5.031 5.248 21.928 4 2HB MET 1 2HB MET 1 -5.153 3.817 20.912 5 1HG MET 1 1HG MET 1 -5.305 5.262 18.931 6 2HG MET 1 2HG MET 1 -5.123 6.675 19.969 7 1HE MET 1 1HE MET 1 -1.686 6.474 18.076 8 2HE MET 1 2HE MET 1 -3.061 7.502 18.475 9 3HE MET 1 3HE MET 1 -3.286 6.090 17.442 10 H ALA 2 H ALA 2 -6.917 6.313 23.209 11 HA ALA 2 HA ALA 2 -7.526 8.397 23.874 12 1HB ALA 2 1HB ALA 2 -5.727 9.061 22.380 13 2HB ALA 2 2HB ALA 2 -7.032 10.246 22.346 14 3HB ALA 2 3HB ALA 2 -6.849 9.097 21.020 15 H ASP 3 H ASP 3 -8.614 9.143 20.634 16 HA ASP 3 HA ASP 3 -11.347 8.453 21.046 17 1HB ASP 3 1HB ASP 3 -11.205 10.400 22.560 18 2HB ASP 3 2HB ASP 3 -10.633 11.390 21.220 19 H GLU 4 H GLU 4 -8.765 9.745 19.252 20 HA GLU 4 HA GLU 4 -10.021 10.803 17.003 21 1HB GLU 4 1HB GLU 4 -7.927 10.272 15.806 22 2HB GLU 4 2HB GLU 4 -7.631 11.031 17.364 23 1HG GLU 4 1HG GLU 4 -7.132 8.847 18.334 24 2HG GLU 4 2HG GLU 4 -7.431 8.086 16.773 25 H ASN 5 H ASN 5 -9.601 7.505 18.015 26 HA ASN 5 HA ASN 5 -10.258 6.396 15.433 27 1HB ASN 5 1HB ASN 5 -8.736 5.203 16.956 28 2HB ASN 5 2HB ASN 5 -10.035 5.049 18.134 29 1HD2 ASN 5 1HD2 ASN 5 -8.739 3.927 15.131 30 2HD2 ASN 5 2HD2 ASN 5 -9.783 2.563 14.950 31 H LYS 6 H LYS 6 -11.784 5.185 18.337 32 HA LYS 6 HA LYS 6 -13.946 4.902 18.963 33 1HB LYS 6 1HB LYS 6 -14.083 7.362 18.778 34 2HB LYS 6 2HB LYS 6 -14.537 7.198 17.088 35 1HG LYS 6 1HG LYS 6 -16.573 6.035 17.725 36 2HG LYS 6 2HG LYS 6 -16.111 6.137 19.425 37 1HD LYS 6 1HD LYS 6 -17.685 7.879 19.008 38 2HD LYS 6 2HD LYS 6 -16.099 8.632 19.180 39 1HE LYS 6 1HE LYS 6 -15.894 8.754 16.744 40 2HE LYS 6 2HE LYS 6 -17.475 7.991 16.572 41 1HZ LYS 6 1HZ LYS 6 -17.595 10.401 16.337 42 2HZ LYS 6 2HZ LYS 6 -16.967 10.602 17.894 43 3HZ LYS 6 3HZ LYS 6 -18.480 9.876 17.681 44 H TRP 7 H TRP 7 -12.984 4.687 15.712 45 HA TRP 7 HA TRP 7 -15.390 3.134 15.038 46 1HB TRP 7 1HB TRP 7 -13.453 4.581 13.215 47 2HB TRP 7 2HB TRP 7 -14.776 3.563 12.658 48 HD1 TRP 7 HD1 TRP 7 -14.035 7.028 13.992 49 HE1 TRP 7 HE1 TRP 7 -16.177 8.451 13.878 50 HE3 TRP 7 HE3 TRP 7 -17.391 3.354 12.817 51 HZ2 TRP 7 HZ2 TRP 7 -18.925 8.068 13.360 52 HZ3 TRP 7 HZ3 TRP 7 -19.757 3.965 12.529 53 HH2 TRP 7 HH2 TRP 7 -20.507 6.274 12.795 54 H VAL 8 H VAL 8 -13.774 2.209 12.616 55 HA VAL 8 HA VAL 8 -12.494 0.457 11.979 56 HB VAL 8 HB VAL 8 -10.981 1.657 13.971 57 1HG1 VAL 8 1HG1 VAL 8 -11.626 -0.091 15.568 58 2HG1 VAL 8 2HG1 VAL 8 -9.905 -0.151 15.189 59 3HG1 VAL 8 3HG1 VAL 8 -11.007 -1.320 14.464 60 1HG2 VAL 8 1HG2 VAL 8 -10.175 1.159 11.772 61 2HG2 VAL 8 2HG2 VAL 8 -10.306 -0.575 12.065 62 3HG2 VAL 8 3HG2 VAL 8 -9.112 0.380 12.945 63 H ARG 9 H ARG 9 -12.570 -1.760 12.006 64 HA ARG 9 HA ARG 9 -13.261 -3.858 12.524 65 1HB ARG 9 1HB ARG 9 -12.246 -3.348 14.772 66 2HB ARG 9 2HB ARG 9 -13.840 -2.842 15.311 67 1HG ARG 9 1HG ARG 9 -14.710 -5.035 15.081 68 2HG ARG 9 2HG ARG 9 -13.266 -5.586 14.227 69 1HD ARG 9 1HD ARG 9 -13.347 -6.309 16.599 70 2HD ARG 9 2HD ARG 9 -11.932 -5.331 16.211 71 HE ARG 9 HE ARG 9 -14.294 -4.107 17.460 72 1HH1 ARG 9 1HH1 ARG 9 -10.902 -4.910 17.518 73 2HH1 ARG 9 2HH1 ARG 9 -10.555 -3.896 18.880 74 1HH2 ARG 9 1HH2 ARG 9 -13.843 -2.768 19.247 75 2HH2 ARG 9 2HH2 ARG 9 -12.226 -2.679 19.860 76 H ARG 10 H ARG 10 -15.307 -1.146 13.286 77 HA ARG 10 HA ARG 10 -17.724 -2.618 13.483 78 1HB ARG 10 1HB ARG 10 -17.278 0.244 12.590 79 2HB ARG 10 2HB ARG 10 -18.836 -0.458 13.000 80 1HG ARG 10 1HG ARG 10 -17.949 -0.890 15.294 81 2HG ARG 10 2HG ARG 10 -16.510 0.027 14.843 82 1HD ARG 10 1HD ARG 10 -18.084 1.443 16.036 83 2HD ARG 10 2HD ARG 10 -17.913 1.978 14.364 84 HE ARG 10 HE ARG 10 -20.067 0.298 14.332 85 1HH1 ARG 10 1HH1 ARG 10 -19.209 3.171 16.107 86 2HH1 ARG 10 2HH1 ARG 10 -20.846 3.706 16.284 87 1HH2 ARG 10 1HH2 ARG 10 -22.225 0.994 14.561 88 2HH2 ARG 10 2HH2 ARG 10 -22.561 2.468 15.406 89 H ASP 11 H ASP 11 -18.677 -3.747 11.912 90 HA ASP 11 HA ASP 11 -19.381 -4.423 9.845 91 1HB ASP 11 1HB ASP 11 -18.340 -1.728 8.957 92 2HB ASP 11 2HB ASP 11 -19.288 -2.822 7.955 93 H VAL 12 H VAL 12 -16.519 -4.505 10.931 94 HA VAL 12 HA VAL 12 -14.637 -4.471 8.895 95 HB VAL 12 HB VAL 12 -14.221 -4.784 11.365 96 1HG1 VAL 12 1HG1 VAL 12 -15.778 -6.614 11.758 97 2HG1 VAL 12 2HG1 VAL 12 -14.140 -7.066 12.233 98 3HG1 VAL 12 3HG1 VAL 12 -14.817 -7.667 10.719 99 1HG2 VAL 12 1HG2 VAL 12 -12.794 -6.679 9.507 100 2HG2 VAL 12 2HG2 VAL 12 -12.186 -6.083 11.051 101 3HG2 VAL 12 3HG2 VAL 12 -12.434 -4.964 9.710 102 H SER 13 H SER 13 -13.541 -6.371 7.915 103 HA SER 13 HA SER 13 -13.489 -8.257 6.654 104 1HB SER 13 1HB SER 13 -14.333 -9.389 8.680 105 2HB SER 13 2HB SER 13 -15.985 -9.051 8.168 106 HG SER 13 HG SER 13 -14.458 -11.100 7.483 107 H THR 14 H THR 14 -15.810 -5.942 6.474 108 HA THR 14 HA THR 14 -16.617 -6.843 3.809 109 HB THR 14 HB THR 14 -18.949 -6.154 4.163 110 HG1 THR 14 HG1 THR 14 -18.726 -4.719 5.884 111 1HG2 THR 14 1HG2 THR 14 -18.395 -8.509 4.444 112 2HG2 THR 14 2HG2 THR 14 -19.658 -8.037 5.582 113 3HG2 THR 14 3HG2 THR 14 -17.995 -8.230 6.139 114 H ALA 15 H ALA 15 -15.012 -4.672 5.393 115 HA ALA 15 HA ALA 15 -16.209 -2.262 4.258 116 1HB ALA 15 1HB ALA 15 -14.536 -1.059 5.574 117 2HB ALA 15 2HB ALA 15 -13.816 -2.591 6.065 118 3HB ALA 15 3HB ALA 15 -15.452 -2.182 6.578 119 H LEU 16 H LEU 16 -13.985 -4.606 3.402 120 HA LEU 16 HA LEU 16 -11.879 -3.263 2.215 121 1HB LEU 16 1HB LEU 16 -13.236 -5.751 1.217 122 2HB LEU 16 2HB LEU 16 -11.605 -5.239 0.816 123 HG LEU 16 HG LEU 16 -12.587 -6.100 3.540 124 1HD1 LEU 16 1HD1 LEU 16 -12.319 -7.959 2.014 125 2HD1 LEU 16 2HD1 LEU 16 -11.025 -7.969 3.212 126 3HD1 LEU 16 3HD1 LEU 16 -10.705 -7.397 1.575 127 1HD2 LEU 16 1HD2 LEU 16 -10.206 -5.922 4.190 128 2HD2 LEU 16 2HD2 LEU 16 -10.935 -4.364 3.801 129 3HD2 LEU 16 3HD2 LEU 16 -9.869 -5.154 2.639 130 H SER 17 H SER 17 -15.163 -3.221 1.266 131 HA SER 17 HA SER 17 -15.126 -3.037 -1.470 132 1HB SER 17 1HB SER 17 -16.743 -1.359 0.461 133 2HB SER 17 2HB SER 17 -17.090 -1.529 -1.260 134 HG SER 17 HG SER 17 -17.217 -3.494 0.767 135 H ARG 18 H ARG 18 -14.631 -0.355 0.813 136 HA ARG 18 HA ARG 18 -12.521 0.899 -0.377 137 1HB ARG 18 1HB ARG 18 -14.847 1.217 -2.012 138 2HB ARG 18 2HB ARG 18 -14.436 2.781 -1.323 139 1HG ARG 18 1HG ARG 18 -12.591 1.002 -2.905 140 2HG ARG 18 2HG ARG 18 -13.374 2.474 -3.482 141 1HD ARG 18 1HD ARG 18 -11.354 2.279 -1.249 142 2HD ARG 18 2HD ARG 18 -11.059 2.910 -2.868 143 HE ARG 18 HE ARG 18 -13.170 4.350 -1.718 144 1HH1 ARG 18 1HH1 ARG 18 -9.739 3.881 -1.323 145 2HH1 ARG 18 2HH1 ARG 18 -9.469 5.460 -0.665 146 1HH2 ARG 18 1HH2 ARG 18 -12.822 6.433 -0.853 147 2HH2 ARG 18 2HH2 ARG 18 -11.221 6.909 -0.398 148 H MET 19 H MET 19 -14.248 0.492 2.066 149 HA MET 19 HA MET 19 -15.182 2.958 3.014 150 1HB MET 19 1HB MET 19 -14.100 0.662 4.652 151 2HB MET 19 2HB MET 19 -15.184 1.930 5.212 152 1HG MET 19 1HG MET 19 -16.670 1.023 3.216 153 2HG MET 19 2HG MET 19 -15.743 -0.448 3.528 154 1HE MET 19 1HE MET 19 -18.127 -1.654 4.037 155 2HE MET 19 2HE MET 19 -18.939 -0.114 3.752 156 3HE MET 19 3HE MET 19 -19.277 -1.032 5.221 157 H GLY 20 H GLY 20 -11.974 1.765 2.657 158 1HA GLY 20 1HA GLY 20 -10.096 3.214 2.730 159 2HA GLY 20 2HA GLY 20 -10.972 4.253 3.839 160 H ASP 21 H ASP 21 -10.053 4.310 5.761 161 HA ASP 21 HA ASP 21 -8.105 2.542 6.683 162 1HB ASP 21 1HB ASP 21 -8.439 4.849 7.534 163 2HB ASP 21 2HB ASP 21 -9.900 4.311 8.357 164 H GLU 22 H GLU 22 -11.588 2.595 7.231 165 HA GLU 22 HA GLU 22 -11.729 0.622 9.218 166 1HB GLU 22 1HB GLU 22 -13.758 1.215 7.055 167 2HB GLU 22 2HB GLU 22 -14.071 0.378 8.568 168 1HG GLU 22 1HG GLU 22 -13.102 3.217 8.404 169 2HG GLU 22 2HG GLU 22 -14.802 2.761 8.498 170 H ALA 23 H ALA 23 -10.887 0.410 5.949 171 HA ALA 23 HA ALA 23 -11.497 -2.458 5.818 172 1HB ALA 23 1HB ALA 23 -11.285 -2.288 3.449 173 2HB ALA 23 2HB ALA 23 -10.628 -0.657 3.570 174 3HB ALA 23 3HB ALA 23 -12.311 -0.963 3.997 175 H PHE 24 H PHE 24 -8.937 -0.277 6.292 176 HA PHE 24 HA PHE 24 -6.787 -1.554 5.059 177 1HB PHE 24 1HB PHE 24 -6.991 0.715 6.412 178 2HB PHE 24 2HB PHE 24 -6.359 -0.289 7.715 179 HD1 PHE 24 HD1 PHE 24 -4.259 -1.699 7.144 180 HD2 PHE 24 HD2 PHE 24 -5.531 1.704 4.930 181 HE1 PHE 24 HE1 PHE 24 -1.992 -1.447 6.235 182 HE2 PHE 24 HE2 PHE 24 -3.264 1.963 4.021 183 HZ PHE 24 HZ PHE 24 -1.490 0.387 4.671 184 H GLU 25 H GLU 25 -7.937 -1.932 8.415 185 HA GLU 25 HA GLU 25 -6.074 -3.911 9.116 186 1HB GLU 25 1HB GLU 25 -8.366 -2.665 10.322 187 2HB GLU 25 2HB GLU 25 -8.402 -4.402 10.596 188 1HG GLU 25 1HG GLU 25 -6.151 -4.304 11.536 189 2HG GLU 25 2HG GLU 25 -6.114 -2.562 11.261 190 HA PRO 26 HA PRO 26 -9.598 -7.216 8.245 191 1HB PRO 26 1HB PRO 26 -11.354 -6.382 6.266 192 2HB PRO 26 2HB PRO 26 -11.717 -6.425 7.991 193 1HG PRO 26 1HG PRO 26 -10.885 -4.128 6.285 194 2HG PRO 26 2HG PRO 26 -12.048 -4.171 7.622 195 1HD PRO 26 1HD PRO 26 -9.585 -3.154 7.931 196 2HD PRO 26 2HD PRO 26 -10.387 -4.056 9.234 197 H LEU 27 H LEU 27 -7.966 -5.098 6.168 198 HA LEU 27 HA LEU 27 -7.972 -6.823 3.859 199 1HB LEU 27 1HB LEU 27 -7.878 -4.665 3.151 200 2HB LEU 27 2HB LEU 27 -7.053 -4.120 4.601 201 HG LEU 27 HG LEU 27 -4.958 -5.118 3.700 202 1HD1 LEU 27 1HD1 LEU 27 -5.664 -6.748 2.173 203 2HD1 LEU 27 2HD1 LEU 27 -5.006 -5.459 1.166 204 3HD1 LEU 27 3HD1 LEU 27 -6.750 -5.630 1.351 205 1HD2 LEU 27 1HD2 LEU 27 -5.243 -2.773 3.490 206 2HD2 LEU 27 2HD2 LEU 27 -6.369 -2.964 2.147 207 3HD2 LEU 27 3HD2 LEU 27 -4.665 -3.355 1.928 208 H LEU 28 H LEU 28 -5.716 -5.743 6.365 209 HA LEU 28 HA LEU 28 -3.638 -7.538 5.446 210 1HB LEU 28 1HB LEU 28 -2.442 -6.699 7.506 211 2HB LEU 28 2HB LEU 28 -2.840 -5.484 6.308 212 HG LEU 28 HG LEU 28 -4.959 -5.112 7.810 213 1HD1 LEU 28 1HD1 LEU 28 -3.013 -6.385 9.723 214 2HD1 LEU 28 2HD1 LEU 28 -4.638 -6.943 9.328 215 3HD1 LEU 28 3HD1 LEU 28 -4.414 -5.430 10.206 216 1HD2 LEU 28 1HD2 LEU 28 -3.153 -3.489 7.344 217 2HD2 LEU 28 2HD2 LEU 28 -2.242 -4.160 8.698 218 3HD2 LEU 28 3HD2 LEU 28 -3.791 -3.367 8.984 219 H GLU 29 H GLU 29 -6.332 -7.632 7.467 220 HA GLU 29 HA GLU 29 -5.452 -9.563 9.362 221 1HB GLU 29 1HB GLU 29 -7.364 -8.072 9.785 222 2HB GLU 29 2HB GLU 29 -8.250 -8.834 8.472 223 1HG GLU 29 1HG GLU 29 -8.269 -10.940 9.679 224 2HG GLU 29 2HG GLU 29 -7.327 -10.216 10.982 225 H SER 30 H SER 30 -6.849 -9.647 6.171 226 HA SER 30 HA SER 30 -7.649 -12.356 6.130 227 1HB SER 30 1HB SER 30 -8.390 -10.602 4.496 228 2HB SER 30 2HB SER 30 -6.784 -10.671 3.771 229 HG SER 30 HG SER 30 -8.076 -13.099 4.087 230 H LEU 31 H LEU 31 -4.567 -10.867 5.983 231 HA LEU 31 HA LEU 31 -3.105 -12.647 4.416 232 1HB LEU 31 1HB LEU 31 -2.281 -11.095 6.868 233 2HB LEU 31 2HB LEU 31 -1.156 -11.960 5.839 234 HG LEU 31 HG LEU 31 -2.928 -9.724 4.863 235 1HD1 LEU 31 1HD1 LEU 31 -1.088 -8.250 5.064 236 2HD1 LEU 31 2HD1 LEU 31 0.006 -9.561 5.500 237 3HD1 LEU 31 3HD1 LEU 31 -1.255 -9.054 6.624 238 1HD2 LEU 31 1HD2 LEU 31 -0.504 -11.040 3.639 239 2HD2 LEU 31 2HD2 LEU 31 -1.446 -9.725 2.937 240 3HD2 LEU 31 3HD2 LEU 31 -2.175 -11.316 3.148 241 H SER 32 H SER 32 -4.638 -13.156 7.406 242 HA SER 32 HA SER 32 -2.944 -15.430 8.105 243 1HB SER 32 1HB SER 32 -5.267 -14.131 9.544 244 2HB SER 32 2HB SER 32 -4.393 -15.539 10.147 245 HG SER 32 HG SER 32 -3.596 -13.562 11.009 246 H ASN 33 H ASN 33 -4.805 -15.357 5.733 247 HA ASN 33 HA ASN 33 -6.852 -17.287 6.445 248 1HB ASN 33 1HB ASN 33 -7.779 -16.920 4.348 249 2HB ASN 33 2HB ASN 33 -7.029 -15.366 4.690 250 1HD2 ASN 33 1HD2 ASN 33 -4.958 -14.928 3.715 251 2HD2 ASN 33 2HD2 ASN 33 -4.559 -15.657 2.202 252 H GLU 34 H GLU 34 -6.979 -19.404 5.664 253 HA GLU 34 HA GLU 34 -4.520 -20.797 5.599 254 1HB GLU 34 1HB GLU 34 -7.319 -21.729 4.954 255 2HB GLU 34 2HB GLU 34 -5.931 -22.793 5.142 256 1HG GLU 34 1HG GLU 34 -7.124 -21.014 7.256 257 2HG GLU 34 2HG GLU 34 -7.250 -22.769 7.162 258 H ASP 35 H ASP 35 -6.529 -19.503 3.075 259 HA ASP 35 HA ASP 35 -5.336 -21.135 1.007 260 1HB ASP 35 1HB ASP 35 -7.696 -20.315 0.883 261 2HB ASP 35 2HB ASP 35 -7.073 -18.678 0.698 262 H TRP 36 H TRP 36 -4.285 -20.104 -0.898 263 HA TRP 36 HA TRP 36 -2.361 -18.093 0.030 264 1HB TRP 36 1HB TRP 36 -0.988 -18.844 -1.912 265 2HB TRP 36 2HB TRP 36 -1.326 -20.125 -0.755 266 HD1 TRP 36 HD1 TRP 36 -2.864 -22.141 -1.562 267 HE1 TRP 36 HE1 TRP 36 -3.614 -22.920 -3.899 268 HE3 TRP 36 HE3 TRP 36 -1.655 -17.961 -4.249 269 HZ2 TRP 36 HZ2 TRP 36 -3.685 -21.907 -6.523 270 HZ3 TRP 36 HZ3 TRP 36 -2.097 -17.951 -6.670 271 HH2 TRP 36 HH2 TRP 36 -3.092 -19.886 -7.778 272 H ARG 37 H ARG 37 -4.685 -18.768 -2.524 273 HA ARG 37 HA ARG 37 -4.067 -16.621 -4.210 274 1HB ARG 37 1HB ARG 37 -5.520 -18.579 -4.784 275 2HB ARG 37 2HB ARG 37 -6.788 -17.863 -3.798 276 1HG ARG 37 1HG ARG 37 -6.712 -15.858 -5.253 277 2HG ARG 37 2HG ARG 37 -5.560 -16.705 -6.284 278 1HD ARG 37 1HD ARG 37 -7.202 -18.440 -6.728 279 2HD ARG 37 2HD ARG 37 -8.350 -17.654 -5.644 280 HE ARG 37 HE ARG 37 -7.439 -15.953 -7.770 281 1HH1 ARG 37 1HH1 ARG 37 -9.745 -18.408 -6.876 282 2HH1 ARG 37 2HH1 ARG 37 -10.903 -17.939 -8.076 283 1HH2 ARG 37 1HH2 ARG 37 -8.960 -15.326 -9.348 284 2HH2 ARG 37 2HH2 ARG 37 -10.457 -16.187 -9.480 285 H ILE 38 H ILE 38 -5.927 -16.790 -1.261 286 HA ILE 38 HA ILE 38 -7.215 -14.249 -1.608 287 HB ILE 38 HB ILE 38 -6.835 -15.830 0.936 288 1HG1 ILE 38 1HG1 ILE 38 -9.178 -15.802 -0.981 289 2HG1 ILE 38 2HG1 ILE 38 -8.003 -17.105 -0.846 290 1HG2 ILE 38 1HG2 ILE 38 -7.401 -13.501 1.341 291 2HG2 ILE 38 2HG2 ILE 38 -8.766 -14.545 1.740 292 3HG2 ILE 38 3HG2 ILE 38 -8.770 -13.625 0.235 293 1HD1 ILE 38 1HD1 ILE 38 -8.709 -17.507 1.452 294 2HD1 ILE 38 2HD1 ILE 38 -10.061 -17.639 0.326 295 3HD1 ILE 38 3HD1 ILE 38 -9.880 -16.195 1.322 296 H ARG 39 H ARG 39 -4.513 -15.418 0.388 297 HA ARG 39 HA ARG 39 -3.890 -13.040 1.676 298 1HB ARG 39 1HB ARG 39 -2.934 -15.293 2.187 299 2HB ARG 39 2HB ARG 39 -1.909 -15.133 0.769 300 1HG ARG 39 1HG ARG 39 -0.871 -13.144 1.757 301 2HG ARG 39 2HG ARG 39 -1.880 -13.344 3.190 302 1HD ARG 39 1HD ARG 39 0.059 -15.409 2.167 303 2HD ARG 39 2HD ARG 39 0.425 -14.248 3.441 304 HE ARG 39 HE ARG 39 -1.929 -15.753 4.010 305 1HH1 ARG 39 1HH1 ARG 39 1.553 -15.870 4.065 306 2HH1 ARG 39 2HH1 ARG 39 1.623 -17.048 5.331 307 1HH2 ARG 39 1HH2 ARG 39 -1.847 -17.306 5.681 308 2HH2 ARG 39 2HH2 ARG 39 -0.309 -17.864 6.249 309 H GLY 40 H GLY 40 -3.242 -14.034 -1.600 310 1HA GLY 40 1HA GLY 40 -1.169 -12.186 -2.166 311 2HA GLY 40 2HA GLY 40 -2.188 -12.983 -3.350 312 H ALA 41 H ALA 41 -4.632 -12.060 -3.019 313 HA ALA 41 HA ALA 41 -4.701 -9.572 -4.180 314 1HB ALA 41 1HB ALA 41 -6.583 -11.193 -4.091 315 2HB ALA 41 2HB ALA 41 -7.056 -9.533 -3.726 316 3HB ALA 41 3HB ALA 41 -6.869 -10.704 -2.420 317 H ALA 42 H ALA 42 -4.496 -10.393 -0.797 318 HA ALA 42 HA ALA 42 -5.307 -7.993 0.365 319 1HB ALA 42 1HB ALA 42 -3.959 -8.666 2.301 320 2HB ALA 42 2HB ALA 42 -3.185 -9.912 1.322 321 3HB ALA 42 3HB ALA 42 -4.912 -10.009 1.667 322 H ALA 43 H ALA 43 -1.998 -9.024 -0.489 323 HA ALA 43 HA ALA 43 -0.825 -6.514 0.120 324 1HB ALA 43 1HB ALA 43 1.161 -7.389 -1.009 325 2HB ALA 43 2HB ALA 43 0.212 -8.741 -1.626 326 3HB ALA 43 3HB ALA 43 0.478 -8.570 0.108 327 H TRP 44 H TRP 44 -2.330 -7.849 -2.723 328 HA TRP 44 HA TRP 44 -1.296 -6.141 -4.674 329 1HB TRP 44 1HB TRP 44 -3.633 -7.915 -4.412 330 2HB TRP 44 2HB TRP 44 -3.799 -6.633 -5.606 331 HD1 TRP 44 HD1 TRP 44 -1.562 -9.651 -4.781 332 HE1 TRP 44 HE1 TRP 44 -0.386 -10.403 -6.940 333 HE3 TRP 44 HE3 TRP 44 -3.120 -5.916 -7.903 334 HZ2 TRP 44 HZ2 TRP 44 -0.140 -9.535 -9.609 335 HZ3 TRP 44 HZ3 TRP 44 -2.372 -5.953 -10.247 336 HH2 TRP 44 HH2 TRP 44 -0.914 -7.725 -11.082 337 H ILE 45 H ILE 45 -3.990 -5.704 -2.437 338 HA ILE 45 HA ILE 45 -4.529 -3.052 -3.562 339 HB ILE 45 HB ILE 45 -6.070 -4.552 -1.440 340 1HG1 ILE 45 1HG1 ILE 45 -6.134 -5.748 -3.571 341 2HG1 ILE 45 2HG1 ILE 45 -7.699 -5.021 -3.230 342 1HG2 ILE 45 1HG2 ILE 45 -6.732 -2.068 -3.015 343 2HG2 ILE 45 2HG2 ILE 45 -6.423 -2.174 -1.282 344 3HG2 ILE 45 3HG2 ILE 45 -7.860 -2.930 -1.969 345 1HD1 ILE 45 1HD1 ILE 45 -7.218 -3.220 -4.788 346 2HD1 ILE 45 2HD1 ILE 45 -7.077 -4.793 -5.575 347 3HD1 ILE 45 3HD1 ILE 45 -5.626 -3.908 -5.106 348 H ILE 46 H ILE 46 -2.970 -4.557 -0.911 349 HA ILE 46 HA ILE 46 -3.272 -2.747 1.150 350 HB ILE 46 HB ILE 46 -1.626 -4.963 0.631 351 1HG1 ILE 46 1HG1 ILE 46 -2.886 -4.806 2.640 352 2HG1 ILE 46 2HG1 ILE 46 -1.191 -4.813 3.119 353 1HG2 ILE 46 1HG2 ILE 46 0.025 -2.635 1.592 354 2HG2 ILE 46 2HG2 ILE 46 0.209 -3.481 0.056 355 3HG2 ILE 46 3HG2 ILE 46 0.533 -4.323 1.572 356 1HD1 ILE 46 1HD1 ILE 46 -1.280 -2.377 3.377 357 2HD1 ILE 46 2HD1 ILE 46 -2.420 -3.214 4.427 358 3HD1 ILE 46 3HD1 ILE 46 -2.993 -2.409 2.966 359 H GLY 47 H GLY 47 -0.947 -2.584 -1.547 360 1HA GLY 47 1HA GLY 47 0.314 -0.213 -0.537 361 2HA GLY 47 2HA GLY 47 0.556 -0.927 -2.121 362 H ASN 48 H ASN 48 -2.592 -0.706 -2.238 363 HA ASN 48 HA ASN 48 -2.571 1.663 -3.810 364 1HB ASN 48 1HB ASN 48 -4.788 -0.157 -2.888 365 2HB ASN 48 2HB ASN 48 -5.091 1.271 -3.871 366 1HD2 ASN 48 1HD2 ASN 48 -2.333 -0.910 -4.074 367 2HD2 ASN 48 2HD2 ASN 48 -2.671 -1.478 -5.668 368 H PHE 49 H PHE 49 -2.629 1.373 -0.501 369 HA PHE 49 HA PHE 49 -4.422 3.657 -0.127 370 1HB PHE 49 1HB PHE 49 -3.198 1.746 1.856 371 2HB PHE 49 2HB PHE 49 -4.147 3.154 2.319 372 HD1 PHE 49 HD1 PHE 49 -4.239 -0.188 0.863 373 HD2 PHE 49 HD2 PHE 49 -6.537 3.225 1.947 374 HE1 PHE 49 HE1 PHE 49 -6.301 -1.514 0.649 375 HE2 PHE 49 HE2 PHE 49 -8.603 1.906 1.737 376 HZ PHE 49 HZ PHE 49 -8.487 -0.466 1.087 377 H GLN 50 H GLN 50 -1.062 2.764 0.144 378 HA GLN 50 HA GLN 50 0.809 4.056 0.294 379 1HB GLN 50 1HB GLN 50 -1.079 5.783 -0.808 380 2HB GLN 50 2HB GLN 50 -0.407 6.683 0.546 381 1HG GLN 50 1HG GLN 50 1.755 6.597 -0.318 382 2HG GLN 50 2HG GLN 50 1.337 5.295 -1.428 383 1HE2 GLN 50 1HE2 GLN 50 0.254 5.773 -3.336 384 2HE2 GLN 50 2HE2 GLN 50 0.140 7.382 -3.955 385 H ASP 51 H ASP 51 0.033 2.921 2.536 386 HA ASP 51 HA ASP 51 0.479 4.990 4.583 387 1HB ASP 51 1HB ASP 51 -1.351 2.594 4.736 388 2HB ASP 51 2HB ASP 51 -0.879 3.547 6.136 389 H GLU 52 H GLU 52 1.618 4.290 6.474 390 HA GLU 52 HA GLU 52 3.842 2.659 5.914 391 1HB GLU 52 1HB GLU 52 4.414 2.938 8.284 392 2HB GLU 52 2HB GLU 52 3.935 4.465 7.559 393 1HG GLU 52 1HG GLU 52 2.058 2.749 9.158 394 2HG GLU 52 2HG GLU 52 3.060 4.011 9.871 395 H ARG 53 H ARG 53 0.742 2.000 7.353 396 HA ARG 53 HA ARG 53 1.396 -0.501 8.527 397 1HB ARG 53 1HB ARG 53 -0.585 0.903 9.127 398 2HB ARG 53 2HB ARG 53 -1.310 0.473 7.586 399 1HG ARG 53 1HG ARG 53 -1.644 -1.740 8.219 400 2HG ARG 53 2HG ARG 53 -0.478 -1.640 9.540 401 1HD ARG 53 1HD ARG 53 -2.075 0.113 10.534 402 2HD ARG 53 2HD ARG 53 -3.256 -0.521 9.389 403 HE ARG 53 HE ARG 53 -2.313 -2.734 10.663 404 1HH1 ARG 53 1HH1 ARG 53 -3.736 0.269 11.715 405 2HH1 ARG 53 2HH1 ARG 53 -4.440 -0.416 13.141 406 1HH2 ARG 53 1HH2 ARG 53 -3.233 -3.641 12.541 407 2HH2 ARG 53 2HH2 ARG 53 -4.155 -2.638 13.611 408 H ALA 54 H ALA 54 1.169 0.445 5.325 409 HA ALA 54 HA ALA 54 0.223 -2.134 4.335 410 1HB ALA 54 1HB ALA 54 -0.727 -0.293 3.199 411 2HB ALA 54 2HB ALA 54 0.450 -1.001 2.093 412 3HB ALA 54 3HB ALA 54 0.845 0.473 2.976 413 H VAL 55 H VAL 55 3.052 -1.359 5.537 414 HA VAL 55 HA VAL 55 4.719 -2.176 3.290 415 HB VAL 55 HB VAL 55 6.628 -1.723 4.706 416 1HG1 VAL 55 1HG1 VAL 55 6.277 0.683 5.080 417 2HG1 VAL 55 2HG1 VAL 55 4.543 0.450 4.858 418 3HG1 VAL 55 3HG1 VAL 55 5.649 0.152 3.519 419 1HG2 VAL 55 1HG2 VAL 55 4.571 -1.394 6.869 420 2HG2 VAL 55 2HG2 VAL 55 6.185 -0.694 6.991 421 3HG2 VAL 55 3HG2 VAL 55 5.989 -2.442 6.849 422 H GLU 56 H GLU 56 3.781 -3.377 6.483 423 HA GLU 56 HA GLU 56 5.493 -5.596 6.560 424 1HB GLU 56 1HB GLU 56 4.255 -4.698 8.514 425 2HB GLU 56 2HB GLU 56 2.774 -5.371 7.849 426 1HG GLU 56 1HG GLU 56 3.447 -6.944 9.414 427 2HG GLU 56 2HG GLU 56 3.998 -7.614 7.877 428 HA PRO 57 HA PRO 57 1.611 -8.145 4.850 429 1HB PRO 57 1HB PRO 57 0.634 -6.014 3.015 430 2HB PRO 57 2HB PRO 57 -0.271 -7.244 3.900 431 1HG PRO 57 1HG PRO 57 -0.283 -4.722 4.727 432 2HG PRO 57 2HG PRO 57 -0.197 -6.054 5.896 433 1HD PRO 57 1HD PRO 57 1.968 -4.235 4.930 434 2HD PRO 57 2HD PRO 57 1.687 -4.892 6.555 435 H LEU 58 H LEU 58 3.594 -5.832 3.167 436 HA LEU 58 HA LEU 58 3.678 -7.387 0.729 437 1HB LEU 58 1HB LEU 58 5.333 -4.994 1.529 438 2HB LEU 58 2HB LEU 58 5.174 -5.660 -0.086 439 HG LEU 58 HG LEU 58 2.913 -4.423 1.488 440 1HD1 LEU 58 1HD1 LEU 58 4.512 -3.294 -0.803 441 2HD1 LEU 58 2HD1 LEU 58 4.599 -2.766 0.878 442 3HD1 LEU 58 3HD1 LEU 58 3.110 -2.543 -0.041 443 1HD2 LEU 58 1HD2 LEU 58 2.213 -6.137 -0.125 444 2HD2 LEU 58 2HD2 LEU 58 3.072 -5.271 -1.400 445 3HD2 LEU 58 3HD2 LEU 58 1.690 -4.522 -0.603 446 H ILE 59 H ILE 59 5.798 -6.678 3.464 447 HA ILE 59 HA ILE 59 8.129 -7.887 2.520 448 HB ILE 59 HB ILE 59 7.164 -7.700 5.374 449 1HG1 ILE 59 1HG1 ILE 59 7.299 -5.515 4.265 450 2HG1 ILE 59 2HG1 ILE 59 8.553 -5.679 5.487 451 1HG2 ILE 59 1HG2 ILE 59 9.913 -8.227 4.256 452 2HG2 ILE 59 2HG2 ILE 59 8.924 -9.332 5.211 453 3HG2 ILE 59 3HG2 ILE 59 9.568 -7.865 5.947 454 1HD1 ILE 59 1HD1 ILE 59 9.347 -4.597 3.431 455 2HD1 ILE 59 2HD1 ILE 59 8.968 -6.067 2.533 456 3HD1 ILE 59 3HD1 ILE 59 10.209 -6.095 3.786 457 H LYS 60 H LYS 60 5.411 -9.282 4.316 458 HA LYS 60 HA LYS 60 6.595 -11.846 4.635 459 1HB LYS 60 1HB LYS 60 4.819 -11.022 6.106 460 2HB LYS 60 2HB LYS 60 3.692 -11.022 4.758 461 1HG LYS 60 1HG LYS 60 3.276 -12.959 6.080 462 2HG LYS 60 2HG LYS 60 4.017 -13.481 4.565 463 1HD LYS 60 1HD LYS 60 5.065 -14.720 6.298 464 2HD LYS 60 2HD LYS 60 6.225 -13.495 5.782 465 1HE LYS 60 1HE LYS 60 6.197 -13.631 8.196 466 2HE LYS 60 2HE LYS 60 5.537 -12.080 7.678 467 1HZ LYS 60 1HZ LYS 60 4.194 -13.021 9.427 468 2HZ LYS 60 2HZ LYS 60 3.967 -14.448 8.547 469 3HZ LYS 60 3HZ LYS 60 3.304 -12.996 7.989 470 H LEU 61 H LEU 61 4.787 -10.387 2.034 471 HA LEU 61 HA LEU 61 4.189 -12.969 0.846 472 1HB LEU 61 1HB LEU 61 2.866 -10.604 0.814 473 2HB LEU 61 2HB LEU 61 3.689 -10.543 -0.733 474 HG LEU 61 HG LEU 61 2.654 -12.649 -1.400 475 1HD1 LEU 61 1HD1 LEU 61 0.871 -13.631 0.013 476 2HD1 LEU 61 2HD1 LEU 61 1.350 -12.543 1.315 477 3HD1 LEU 61 3HD1 LEU 61 2.478 -13.764 0.726 478 1HD2 LEU 61 1HD2 LEU 61 0.556 -10.786 -0.315 479 2HD2 LEU 61 2HD2 LEU 61 0.430 -11.857 -1.710 480 3HD2 LEU 61 3HD2 LEU 61 1.506 -10.461 -1.764 481 H LEU 62 H LEU 62 6.504 -10.378 0.409 482 HA LEU 62 HA LEU 62 7.385 -10.958 -2.185 483 1HB LEU 62 1HB LEU 62 8.908 -9.921 0.208 484 2HB LEU 62 2HB LEU 62 9.559 -9.967 -1.419 485 HG LEU 62 HG LEU 62 6.991 -8.525 -0.918 486 1HD1 LEU 62 1HD1 LEU 62 8.397 -7.633 0.799 487 2HD1 LEU 62 2HD1 LEU 62 8.332 -6.465 -0.519 488 3HD1 LEU 62 3HD1 LEU 62 9.754 -7.489 -0.316 489 1HD2 LEU 62 1HD2 LEU 62 7.749 -7.184 -2.785 490 2HD2 LEU 62 2HD2 LEU 62 7.798 -8.895 -3.211 491 3HD2 LEU 62 3HD2 LEU 62 9.289 -8.043 -2.807 492 H GLU 63 H GLU 63 7.691 -12.734 0.716 493 HA GLU 63 HA GLU 63 9.759 -14.454 -0.471 494 1HB GLU 63 1HB GLU 63 9.668 -13.264 2.023 495 2HB GLU 63 2HB GLU 63 9.157 -14.916 2.344 496 1HG GLU 63 1HG GLU 63 11.194 -15.694 1.137 497 2HG GLU 63 2HG GLU 63 11.715 -14.013 1.057 498 H ASP 64 H ASP 64 6.502 -14.274 -0.135 499 HA ASP 64 HA ASP 64 5.759 -16.790 0.862 500 1HB ASP 64 1HB ASP 64 4.287 -14.723 0.332 501 2HB ASP 64 2HB ASP 64 4.204 -15.403 -1.290 502 H ASP 65 H ASP 65 6.692 -15.695 -2.270 503 HA ASP 65 HA ASP 65 7.244 -16.740 -4.209 504 1HB ASP 65 1HB ASP 65 7.858 -18.924 -2.225 505 2HB ASP 65 2HB ASP 65 8.222 -19.069 -3.942 506 H SER 66 H SER 66 4.389 -16.986 -3.234 507 HA SER 66 HA SER 66 3.557 -19.580 -4.212 508 1HB SER 66 1HB SER 66 2.380 -17.863 -2.482 509 2HB SER 66 2HB SER 66 1.541 -17.419 -3.965 510 HG SER 66 HG SER 66 0.459 -19.100 -2.876 511 H GLY 67 H GLY 67 3.973 -16.372 -5.442 512 1HA GLY 67 1HA GLY 67 4.374 -16.478 -7.941 513 2HA GLY 67 2HA GLY 67 2.757 -17.168 -8.012 514 H PHE 68 H PHE 68 1.019 -15.797 -8.087 515 HA PHE 68 HA PHE 68 1.440 -13.110 -8.726 516 1HB PHE 68 1HB PHE 68 -0.755 -13.080 -9.223 517 2HB PHE 68 2HB PHE 68 -0.703 -14.803 -8.885 518 HD1 PHE 68 HD1 PHE 68 -1.734 -15.713 -6.917 519 HD2 PHE 68 HD2 PHE 68 -1.715 -11.505 -7.610 520 HE1 PHE 68 HE1 PHE 68 -3.459 -15.420 -5.195 521 HE2 PHE 68 HE2 PHE 68 -3.442 -11.217 -5.885 522 HZ PHE 68 HZ PHE 68 -4.316 -13.172 -4.675 523 H VAL 69 H VAL 69 1.139 -14.702 -5.683 524 HA VAL 69 HA VAL 69 0.487 -12.430 -4.116 525 HB VAL 69 HB VAL 69 0.978 -13.745 -2.216 526 1HG1 VAL 69 1HG1 VAL 69 0.075 -15.686 -4.328 527 2HG1 VAL 69 2HG1 VAL 69 -0.962 -14.500 -3.536 528 3HG1 VAL 69 3HG1 VAL 69 -0.226 -15.797 -2.594 529 1HG2 VAL 69 1HG2 VAL 69 2.247 -15.845 -2.304 530 2HG2 VAL 69 2HG2 VAL 69 3.216 -14.444 -2.760 531 3HG2 VAL 69 3HG2 VAL 69 2.601 -15.534 -4.004 532 H ARG 70 H ARG 70 3.484 -13.961 -5.133 533 HA ARG 70 HA ARG 70 5.203 -12.281 -3.622 534 1HB ARG 70 1HB ARG 70 5.745 -14.576 -4.571 535 2HB ARG 70 2HB ARG 70 5.940 -13.784 -6.126 536 1HG ARG 70 1HG ARG 70 7.666 -12.321 -5.075 537 2HG ARG 70 2HG ARG 70 7.549 -13.324 -3.631 538 1HD ARG 70 1HD ARG 70 9.418 -14.013 -5.048 539 2HD ARG 70 2HD ARG 70 8.202 -15.284 -4.920 540 HE ARG 70 HE ARG 70 7.873 -13.585 -7.217 541 1HH1 ARG 70 1HH1 ARG 70 9.446 -16.428 -5.957 542 2HH1 ARG 70 2HH1 ARG 70 9.674 -17.148 -7.515 543 1HH2 ARG 70 1HH2 ARG 70 8.169 -14.525 -9.269 544 2HH2 ARG 70 2HH2 ARG 70 8.948 -16.067 -9.397 545 H SER 71 H SER 71 4.129 -12.298 -6.997 546 HA SER 71 HA SER 71 5.619 -10.034 -7.806 547 1HB SER 71 1HB SER 71 4.120 -10.006 -9.764 548 2HB SER 71 2HB SER 71 4.731 -11.626 -9.435 549 HG SER 71 HG SER 71 2.376 -11.340 -9.864 550 H GLY 72 H GLY 72 2.441 -10.454 -6.394 551 1HA GLY 72 1HA GLY 72 1.416 -7.882 -6.877 552 2HA GLY 72 2HA GLY 72 0.913 -8.954 -5.581 553 H ALA 73 H ALA 73 2.922 -9.150 -3.904 554 HA ALA 73 HA ALA 73 2.937 -6.736 -2.509 555 1HB ALA 73 1HB ALA 73 4.687 -7.762 -1.110 556 2HB ALA 73 2HB ALA 73 4.842 -9.063 -2.291 557 3HB ALA 73 3HB ALA 73 3.332 -8.852 -1.404 558 H ALA 74 H ALA 74 5.266 -8.114 -4.761 559 HA ALA 74 HA ALA 74 7.351 -6.278 -4.364 560 1HB ALA 74 1HB ALA 74 7.653 -8.402 -5.527 561 2HB ALA 74 2HB ALA 74 8.197 -7.048 -6.518 562 3HB ALA 74 3HB ALA 74 6.649 -7.822 -6.856 563 H ARG 75 H ARG 75 4.653 -6.280 -6.675 564 HA ARG 75 HA ARG 75 5.458 -3.876 -7.955 565 1HB ARG 75 1HB ARG 75 3.600 -4.115 -9.303 566 2HB ARG 75 2HB ARG 75 3.874 -5.774 -8.796 567 1HG ARG 75 1HG ARG 75 2.132 -5.549 -7.102 568 2HG ARG 75 2HG ARG 75 1.861 -3.879 -7.599 569 1HD ARG 75 1HD ARG 75 1.289 -6.413 -9.105 570 2HD ARG 75 2HD ARG 75 0.187 -5.100 -8.688 571 HE ARG 75 HE ARG 75 2.376 -4.707 -10.619 572 1HH1 ARG 75 1HH1 ARG 75 -0.997 -4.533 -9.755 573 2HH1 ARG 75 2HH1 ARG 75 -1.459 -3.714 -11.209 574 1HH2 ARG 75 1HH2 ARG 75 1.776 -3.626 -12.532 575 2HH2 ARG 75 2HH2 ARG 75 0.118 -3.197 -12.786 576 H SER 76 H SER 76 3.392 -4.603 -5.223 577 HA SER 76 HA SER 76 2.045 -2.151 -5.036 578 1HB SER 76 1HB SER 76 2.844 -4.033 -2.805 579 2HB SER 76 2HB SER 76 1.618 -2.771 -2.698 580 HG SER 76 HG SER 76 0.258 -3.999 -3.747 581 H LEU 77 H LEU 77 5.216 -3.162 -3.931 582 HA LEU 77 HA LEU 77 5.798 -1.028 -2.218 583 1HB LEU 77 1HB LEU 77 7.655 -2.596 -4.010 584 2HB LEU 77 2HB LEU 77 8.175 -1.547 -2.705 585 HG LEU 77 HG LEU 77 6.407 -3.949 -2.270 586 1HD1 LEU 77 1HD1 LEU 77 9.389 -3.776 -1.900 587 2HD1 LEU 77 2HD1 LEU 77 8.597 -4.574 -3.261 588 3HD1 LEU 77 3HD1 LEU 77 8.357 -5.178 -1.622 589 1HD2 LEU 77 1HD2 LEU 77 7.118 -3.706 0.045 590 2HD2 LEU 77 2HD2 LEU 77 6.346 -2.228 -0.529 591 3HD2 LEU 77 3HD2 LEU 77 8.102 -2.309 -0.391 592 H GLU 78 H GLU 78 6.854 -1.420 -5.602 593 HA GLU 78 HA GLU 78 7.726 1.242 -5.907 594 1HB GLU 78 1HB GLU 78 8.410 -0.695 -7.337 595 2HB GLU 78 2HB GLU 78 6.815 -0.660 -8.075 596 1HG GLU 78 1HG GLU 78 7.332 1.749 -8.696 597 2HG GLU 78 2HG GLU 78 8.998 1.386 -8.256 598 H GLN 79 H GLN 79 4.620 -0.153 -5.901 599 HA GLN 79 HA GLN 79 3.177 1.464 -7.647 600 1HB GLN 79 1HB GLN 79 2.384 -0.584 -6.385 601 2HB GLN 79 2HB GLN 79 2.174 0.457 -4.987 602 1HG GLN 79 1HG GLN 79 0.468 1.697 -6.049 603 2HG GLN 79 2HG GLN 79 0.820 0.965 -7.616 604 1HE2 GLN 79 1HE2 GLN 79 0.835 -0.897 -4.688 605 2HE2 GLN 79 2HE2 GLN 79 -0.599 -1.800 -5.009 606 H ILE 80 H ILE 80 4.140 2.023 -4.290 607 HA ILE 80 HA ILE 80 2.755 4.543 -4.136 608 HB ILE 80 HB ILE 80 4.714 3.196 -2.277 609 1HG1 ILE 80 1HG1 ILE 80 2.619 3.263 -0.787 610 2HG1 ILE 80 2HG1 ILE 80 1.734 3.641 -2.261 611 1HG2 ILE 80 1HG2 ILE 80 4.070 4.999 -0.651 612 2HG2 ILE 80 2HG2 ILE 80 3.382 5.880 -2.015 613 3HG2 ILE 80 3HG2 ILE 80 5.107 5.516 -1.981 614 1HD1 ILE 80 1HD1 ILE 80 1.671 1.258 -1.670 615 2HD1 ILE 80 2HD1 ILE 80 3.424 1.188 -1.853 616 3HD1 ILE 80 3HD1 ILE 80 2.405 1.552 -3.246 617 H GLY 81 H GLY 81 6.197 3.603 -4.034 618 1HA GLY 81 1HA GLY 81 8.061 4.675 -4.852 619 2HA GLY 81 2HA GLY 81 6.988 5.719 -5.772 620 H GLY 82 H GLY 82 7.734 5.151 -2.335 621 1HA GLY 82 1HA GLY 82 8.257 8.037 -2.075 622 2HA GLY 82 2HA GLY 82 7.176 7.231 -0.947 623 H GLU 83 H GLU 83 9.058 8.415 0.321 624 HA GLU 83 HA GLU 83 11.547 7.075 0.519 625 1HB GLU 83 1HB GLU 83 11.260 9.394 1.242 626 2HB GLU 83 2HB GLU 83 10.140 8.881 2.496 627 1HG GLU 83 1HG GLU 83 11.890 7.719 3.659 628 2HG GLU 83 2HG GLU 83 13.027 8.044 2.351 629 H ARG 84 H ARG 84 8.422 6.424 1.785 630 HA ARG 84 HA ARG 84 9.302 4.866 4.017 631 1HB ARG 84 1HB ARG 84 6.770 4.063 3.778 632 2HB ARG 84 2HB ARG 84 7.211 5.597 4.513 633 1HG ARG 84 1HG ARG 84 5.375 5.957 3.026 634 2HG ARG 84 2HG ARG 84 6.813 6.699 2.323 635 1HD ARG 84 1HD ARG 84 5.355 5.405 0.731 636 2HD ARG 84 2HD ARG 84 7.058 4.945 0.754 637 HE ARG 84 HE ARG 84 6.478 2.940 1.839 638 1HH1 ARG 84 1HH1 ARG 84 3.698 4.911 1.114 639 2HH1 ARG 84 2HH1 ARG 84 2.569 3.612 1.301 640 1HH2 ARG 84 1HH2 ARG 84 5.000 1.226 2.087 641 2HH2 ARG 84 2HH2 ARG 84 3.308 1.517 1.855 642 H VAL 85 H VAL 85 8.493 4.190 0.670 643 HA VAL 85 HA VAL 85 8.279 1.366 0.995 644 HB VAL 85 HB VAL 85 9.055 2.837 -1.527 645 1HG1 VAL 85 1HG1 VAL 85 7.769 0.143 -1.125 646 2HG1 VAL 85 2HG1 VAL 85 9.457 0.422 -1.551 647 3HG1 VAL 85 3HG1 VAL 85 8.178 0.886 -2.670 648 1HG2 VAL 85 1HG2 VAL 85 6.335 2.207 -0.401 649 2HG2 VAL 85 2HG2 VAL 85 6.620 2.656 -2.083 650 3HG2 VAL 85 3HG2 VAL 85 7.000 3.794 -0.791 651 H ARG 86 H ARG 86 10.900 3.599 0.400 652 HA ARG 86 HA ARG 86 12.892 1.846 -0.435 653 1HB ARG 86 1HB ARG 86 13.095 4.318 -0.410 654 2HB ARG 86 2HB ARG 86 13.237 4.268 1.341 655 1HG ARG 86 1HG ARG 86 15.283 2.913 1.109 656 2HG ARG 86 2HG ARG 86 15.151 3.062 -0.645 657 1HD ARG 86 1HD ARG 86 16.727 4.689 0.190 658 2HD ARG 86 2HD ARG 86 15.292 5.513 -0.415 659 HE ARG 86 HE ARG 86 14.657 5.407 2.117 660 1HH1 ARG 86 1HH1 ARG 86 17.796 6.028 0.737 661 2HH1 ARG 86 2HH1 ARG 86 18.319 7.025 2.053 662 1HH2 ARG 86 1HH2 ARG 86 15.338 6.718 3.852 663 2HH2 ARG 86 2HH2 ARG 86 16.922 7.416 3.824 664 H ALA 87 H ALA 87 11.407 2.172 2.648 665 HA ALA 87 HA ALA 87 13.553 0.957 4.140 666 1HB ALA 87 1HB ALA 87 11.963 0.972 6.012 667 2HB ALA 87 2HB ALA 87 10.690 1.510 4.917 668 3HB ALA 87 3HB ALA 87 12.076 2.552 5.234 669 H ALA 88 H ALA 88 10.576 -0.049 2.595 670 HA ALA 88 HA ALA 88 10.476 -2.651 3.734 671 1HB ALA 88 1HB ALA 88 8.501 -1.575 2.776 672 2HB ALA 88 2HB ALA 88 8.817 -3.132 2.011 673 3HB ALA 88 3HB ALA 88 9.239 -1.638 1.175 674 H MET 89 H MET 89 12.086 -1.261 0.956 675 HA MET 89 HA MET 89 12.724 -3.744 -0.300 676 1HB MET 89 1HB MET 89 14.509 -1.416 -0.729 677 2HB MET 89 2HB MET 89 13.793 -2.514 -1.894 678 1HG MET 89 1HG MET 89 12.485 -0.196 -0.531 679 2HG MET 89 2HG MET 89 12.889 -0.363 -2.239 680 1HE MET 89 1HE MET 89 10.292 -2.722 -3.665 681 2HE MET 89 2HE MET 89 11.720 -3.449 -2.930 682 3HE MET 89 3HE MET 89 11.864 -1.941 -3.830 683 H GLU 90 H GLU 90 14.578 -1.461 1.697 684 HA GLU 90 HA GLU 90 16.971 -2.869 1.805 685 1HB GLU 90 1HB GLU 90 15.687 -1.158 3.944 686 2HB GLU 90 2HB GLU 90 17.367 -1.677 3.952 687 1HG GLU 90 1HG GLU 90 16.150 -0.036 1.749 688 2HG GLU 90 2HG GLU 90 16.959 0.655 3.153 689 H LYS 91 H LYS 91 13.998 -3.266 3.623 690 HA LYS 91 HA LYS 91 15.038 -5.135 5.504 691 1HB LYS 91 1HB LYS 91 12.837 -3.700 5.538 692 2HB LYS 91 2HB LYS 91 12.149 -5.094 4.717 693 1HG LYS 91 1HG LYS 91 13.657 -5.416 7.282 694 2HG LYS 91 2HG LYS 91 11.959 -4.938 7.276 695 1HD LYS 91 1HD LYS 91 11.456 -6.963 5.920 696 2HD LYS 91 2HD LYS 91 13.140 -7.454 6.106 697 1HE LYS 91 1HE LYS 91 12.847 -7.471 8.548 698 2HE LYS 91 2HE LYS 91 11.153 -7.030 8.334 699 1HZ LYS 91 1HZ LYS 91 10.770 -9.092 7.179 700 2HZ LYS 91 2HZ LYS 91 11.473 -9.421 8.682 701 3HZ LYS 91 3HZ LYS 91 12.408 -9.505 7.274 702 H LEU 92 H LEU 92 13.690 -5.426 2.271 703 HA LEU 92 HA LEU 92 13.521 -8.309 2.489 704 1HB LEU 92 1HB LEU 92 11.831 -7.701 1.119 705 2HB LEU 92 2HB LEU 92 12.639 -6.236 0.597 706 HG LEU 92 HG LEU 92 14.090 -7.686 -0.862 707 1HD1 LEU 92 1HD1 LEU 92 13.280 -9.907 -1.421 708 2HD1 LEU 92 2HD1 LEU 92 11.975 -9.749 -0.245 709 3HD1 LEU 92 3HD1 LEU 92 13.650 -9.813 0.301 710 1HD2 LEU 92 1HD2 LEU 92 12.347 -7.929 -2.589 711 2HD2 LEU 92 2HD2 LEU 92 12.279 -6.366 -1.777 712 3HD2 LEU 92 3HD2 LEU 92 11.117 -7.626 -1.364 713 H ALA 93 H ALA 93 15.686 -5.866 1.276 714 HA ALA 93 HA ALA 93 17.270 -7.355 -0.446 715 1HB ALA 93 1HB ALA 93 19.076 -5.746 0.114 716 2HB ALA 93 2HB ALA 93 18.062 -5.113 1.410 717 3HB ALA 93 3HB ALA 93 17.540 -4.970 -0.269 718 H GLU 94 H GLU 94 17.109 -7.364 3.034 719 HA GLU 94 HA GLU 94 19.557 -8.851 3.378 720 1HB GLU 94 1HB GLU 94 17.301 -8.373 5.339 721 2HB GLU 94 2HB GLU 94 18.899 -8.993 5.731 722 1HG GLU 94 1HG GLU 94 18.292 -6.255 4.637 723 2HG GLU 94 2HG GLU 94 18.670 -6.640 6.316 724 H THR 95 H THR 95 16.194 -9.469 2.911 725 HA THR 95 HA THR 95 16.617 -12.365 3.281 726 HB THR 95 HB THR 95 14.078 -12.470 3.241 727 HG1 THR 95 HG1 THR 95 13.880 -10.287 2.339 728 1HG2 THR 95 1HG2 THR 95 15.417 -10.915 5.459 729 2HG2 THR 95 2HG2 THR 95 15.293 -12.669 5.331 730 3HG2 THR 95 3HG2 THR 95 13.842 -11.698 5.580 731 H GLY 96 H GLY 96 17.373 -10.664 0.990 732 1HA GLY 96 1HA GLY 96 15.708 -10.751 -1.188 733 2HA GLY 96 2HA GLY 96 17.455 -10.882 -1.285 734 H THR 97 H THR 97 14.575 -12.360 -1.967 735 HA THR 97 HA THR 97 15.941 -14.861 -2.627 736 HB THR 97 HB THR 97 13.247 -14.776 -1.249 737 HG1 THR 97 HG1 THR 97 15.392 -14.475 -0.032 738 1HG2 THR 97 1HG2 THR 97 13.494 -17.241 -1.203 739 2HG2 THR 97 2HG2 THR 97 14.949 -17.088 -2.190 740 3HG2 THR 97 3HG2 THR 97 13.384 -16.599 -2.843 741 H GLY 98 H GLY 98 15.468 -15.530 -4.641 742 1HA GLY 98 1HA GLY 98 14.344 -15.758 -6.645 743 2HA GLY 98 2HA GLY 98 12.926 -15.059 -5.874 744 H PHE 99 H PHE 99 12.272 -13.407 -7.102 745 HA PHE 99 HA PHE 99 14.266 -11.678 -8.366 746 1HB PHE 99 1HB PHE 99 12.656 -11.083 -9.906 747 2HB PHE 99 2HB PHE 99 12.126 -12.709 -9.499 748 HD1 PHE 99 HD1 PHE 99 10.519 -12.642 -7.246 749 HD2 PHE 99 HD2 PHE 99 10.985 -9.572 -10.161 750 HE1 PHE 99 HE1 PHE 99 8.304 -11.753 -6.664 751 HE2 PHE 99 HE2 PHE 99 8.771 -8.677 -9.575 752 HZ PHE 99 HZ PHE 99 7.427 -9.769 -7.825 753 H ALA 100 H ALA 100 12.241 -11.776 -5.651 754 HA ALA 100 HA ALA 100 11.414 -9.178 -5.254 755 1HB ALA 100 1HB ALA 100 11.423 -9.679 -2.869 756 2HB ALA 100 2HB ALA 100 12.446 -11.086 -3.159 757 3HB ALA 100 3HB ALA 100 10.802 -11.043 -3.797 758 H ARG 101 H ARG 101 14.577 -10.597 -4.538 759 HA ARG 101 HA ARG 101 15.721 -8.408 -3.227 760 1HB ARG 101 1HB ARG 101 16.682 -10.706 -3.358 761 2HB ARG 101 2HB ARG 101 17.118 -10.374 -5.028 762 1HG ARG 101 1HG ARG 101 18.676 -8.710 -4.390 763 2HG ARG 101 2HG ARG 101 18.085 -8.703 -2.727 764 1HD ARG 101 1HD ARG 101 18.881 -10.995 -2.436 765 2HD ARG 101 2HD ARG 101 19.471 -11.005 -4.098 766 HE ARG 101 HE ARG 101 20.539 -8.895 -2.439 767 1HH1 ARG 101 1HH1 ARG 101 20.939 -12.152 -3.611 768 2HH1 ARG 101 2HH1 ARG 101 22.644 -12.188 -3.309 769 1HH2 ARG 101 1HH2 ARG 101 22.783 -8.933 -2.040 770 2HH2 ARG 101 2HH2 ARG 101 23.692 -10.358 -2.417 771 H LYS 102 H LYS 102 16.206 -9.380 -6.625 772 HA LYS 102 HA LYS 102 17.601 -7.184 -7.518 773 1HB LYS 102 1HB LYS 102 17.299 -9.112 -8.927 774 2HB LYS 102 2HB LYS 102 15.556 -8.887 -8.952 775 1HG LYS 102 1HG LYS 102 15.969 -6.694 -10.119 776 2HG LYS 102 2HG LYS 102 17.656 -7.192 -10.278 777 1HD LYS 102 1HD LYS 102 16.981 -9.165 -11.525 778 2HD LYS 102 2HD LYS 102 15.281 -8.741 -11.314 779 1HE LYS 102 1HE LYS 102 15.941 -8.073 -13.510 780 2HE LYS 102 2HE LYS 102 15.734 -6.617 -12.538 781 1HZ LYS 102 1HZ LYS 102 17.734 -6.490 -13.870 782 2HZ LYS 102 2HZ LYS 102 18.322 -7.921 -13.187 783 3HZ LYS 102 3HZ LYS 102 18.137 -6.541 -12.227 784 H VAL 103 H VAL 103 14.288 -7.443 -6.654 785 HA VAL 103 HA VAL 103 13.408 -5.067 -8.007 786 HB VAL 103 HB VAL 103 12.155 -6.926 -6.005 787 1HG1 VAL 103 1HG1 VAL 103 11.356 -4.697 -5.428 788 2HG1 VAL 103 2HG1 VAL 103 10.072 -5.625 -6.200 789 3HG1 VAL 103 3HG1 VAL 103 10.938 -4.391 -7.114 790 1HG2 VAL 103 1HG2 VAL 103 11.402 -6.197 -8.833 791 2HG2 VAL 103 2HG2 VAL 103 10.641 -7.430 -7.827 792 3HG2 VAL 103 3HG2 VAL 103 12.312 -7.631 -8.356 793 H ALA 104 H ALA 104 14.075 -5.949 -4.612 794 HA ALA 104 HA ALA 104 13.429 -3.504 -3.448 795 1HB ALA 104 1HB ALA 104 14.917 -4.248 -1.593 796 2HB ALA 104 2HB ALA 104 15.397 -5.615 -2.601 797 3HB ALA 104 3HB ALA 104 13.719 -5.440 -2.091 798 H VAL 105 H VAL 105 16.591 -4.697 -4.461 799 HA VAL 105 HA VAL 105 18.049 -2.398 -3.734 800 HB VAL 105 HB VAL 105 18.817 -4.449 -5.809 801 1HG1 VAL 105 1HG1 VAL 105 20.210 -2.453 -5.840 802 2HG1 VAL 105 2HG1 VAL 105 21.111 -3.830 -5.206 803 3HG1 VAL 105 3HG1 VAL 105 20.487 -2.603 -4.104 804 1HG2 VAL 105 1HG2 VAL 105 18.164 -5.474 -3.653 805 2HG2 VAL 105 2HG2 VAL 105 19.374 -4.477 -2.844 806 3HG2 VAL 105 3HG2 VAL 105 19.875 -5.687 -4.026 807 H ASN 106 H ASN 106 17.191 -3.553 -7.004 808 HA ASN 106 HA ASN 106 18.171 -1.371 -8.407 809 1HB ASN 106 1HB ASN 106 17.416 -3.551 -9.382 810 2HB ASN 106 2HB ASN 106 15.754 -3.008 -9.183 811 1HD2 ASN 106 1HD2 ASN 106 18.405 -0.907 -10.068 812 2HD2 ASN 106 2HD2 ASN 106 17.872 -0.596 -11.680 813 H TYR 107 H TYR 107 15.018 -1.771 -6.852 814 HA TYR 107 HA TYR 107 13.754 0.434 -8.062 815 1HB TYR 107 1HB TYR 107 12.360 -1.176 -7.075 816 2HB TYR 107 2HB TYR 107 13.269 -1.169 -5.572 817 HD1 TYR 107 HD1 TYR 107 12.472 -0.038 -3.801 818 HD2 TYR 107 HD2 TYR 107 11.160 1.106 -7.664 819 HE1 TYR 107 HE1 TYR 107 10.905 1.553 -2.778 820 HE2 TYR 107 HE2 TYR 107 9.580 2.703 -6.666 821 HH TYR 107 HH TYR 107 8.406 3.036 -4.520 822 H LEU 108 H LEU 108 16.030 0.145 -5.486 823 HA LEU 108 HA LEU 108 15.532 2.442 -4.002 824 1HB LEU 108 1HB LEU 108 18.169 1.140 -4.669 825 2HB LEU 108 2HB LEU 108 17.952 2.362 -3.441 826 HG LEU 108 HG LEU 108 16.702 -0.379 -3.420 827 1HD1 LEU 108 1HD1 LEU 108 19.105 -0.432 -3.020 828 2HD1 LEU 108 2HD1 LEU 108 18.207 -0.810 -1.550 829 3HD1 LEU 108 3HD1 LEU 108 18.927 0.787 -1.757 830 1HD2 LEU 108 1HD2 LEU 108 16.620 1.834 -1.373 831 2HD2 LEU 108 2HD2 LEU 108 16.002 0.198 -1.140 832 3HD2 LEU 108 3HD2 LEU 108 15.264 1.257 -2.342 833 H GLU 109 H GLU 109 16.700 2.149 -7.216 834 HA GLU 109 HA GLU 109 18.069 4.675 -7.291 835 1HB GLU 109 1HB GLU 109 17.149 2.878 -9.539 836 2HB GLU 109 2HB GLU 109 18.204 4.272 -9.721 837 1HG GLU 109 1HG GLU 109 19.810 3.145 -8.165 838 2HG GLU 109 2HG GLU 109 18.787 1.712 -8.260 839 H THR 110 H THR 110 14.940 4.132 -6.845 840 HA THR 110 HA THR 110 14.183 6.582 -8.265 841 HB THR 110 HB THR 110 12.002 5.624 -8.897 842 HG1 THR 110 HG1 THR 110 11.510 3.854 -7.833 843 1HG2 THR 110 1HG2 THR 110 12.761 4.313 -10.777 844 2HG2 THR 110 2HG2 THR 110 14.295 3.981 -9.973 845 3HG2 THR 110 3HG2 THR 110 13.908 5.622 -10.491 846 H HIS 111 H HIS 111 12.987 4.114 -5.991 847 HA HIS 111 HA HIS 111 11.598 4.260 -4.193 848 1HB HIS 111 1HB HIS 111 12.409 5.806 -2.418 849 2HB HIS 111 2HB HIS 111 13.674 4.803 -3.116 850 HD1 HIS 111 HD1 HIS 111 15.623 5.983 -4.214 851 HD2 HIS 111 HD2 HIS 111 12.565 8.575 -3.118 852 HE1 HIS 111 HE1 HIS 111 16.568 8.296 -4.498 853 HE2 HIS 111 HE2 HIS 111 14.698 9.849 -3.837 Start of MODEL 36 1 H MET 1 H MET 1 -8.580 10.238 8.403 2 HA MET 1 HA MET 1 -9.704 8.377 9.386 3 1HB MET 1 1HB MET 1 -8.970 7.557 11.607 4 2HB MET 1 2HB MET 1 -7.794 7.233 10.341 5 1HG MET 1 1HG MET 1 -6.472 9.149 11.079 6 2HG MET 1 2HG MET 1 -7.650 9.470 12.350 7 1HE MET 1 1HE MET 1 -4.564 9.175 12.942 8 2HE MET 1 2HE MET 1 -4.576 8.139 14.368 9 3HE MET 1 3HE MET 1 -5.760 9.435 14.209 10 H ALA 2 H ALA 2 -8.165 11.056 11.118 11 HA ALA 2 HA ALA 2 -10.703 11.639 12.459 12 1HB ALA 2 1HB ALA 2 -8.714 11.532 13.874 13 2HB ALA 2 2HB ALA 2 -9.411 13.151 13.873 14 3HB ALA 2 3HB ALA 2 -7.964 12.815 12.923 15 H ASP 3 H ASP 3 -11.906 13.388 12.014 16 HA ASP 3 HA ASP 3 -12.710 15.225 10.950 17 1HB ASP 3 1HB ASP 3 -10.629 16.237 11.988 18 2HB ASP 3 2HB ASP 3 -9.837 16.004 10.433 19 H GLU 4 H GLU 4 -11.560 12.726 9.477 20 HA GLU 4 HA GLU 4 -11.921 13.859 6.786 21 1HB GLU 4 1HB GLU 4 -9.975 11.705 7.624 22 2HB GLU 4 2HB GLU 4 -10.350 12.098 5.952 23 1HG GLU 4 1HG GLU 4 -9.499 14.355 6.278 24 2HG GLU 4 2HG GLU 4 -9.143 13.982 7.964 25 H ASN 5 H ASN 5 -12.842 11.573 9.116 26 HA ASN 5 HA ASN 5 -13.861 9.551 7.394 27 1HB ASN 5 1HB ASN 5 -15.099 8.791 9.423 28 2HB ASN 5 2HB ASN 5 -13.373 9.007 9.695 29 1HD2 ASN 5 1HD2 ASN 5 -16.554 10.115 10.445 30 2HD2 ASN 5 2HD2 ASN 5 -16.107 11.206 11.708 31 H LYS 6 H LYS 6 -15.422 9.904 5.965 32 HA LYS 6 HA LYS 6 -18.010 10.740 6.742 33 1HB LYS 6 1HB LYS 6 -16.883 12.951 6.737 34 2HB LYS 6 2HB LYS 6 -16.477 12.716 5.044 35 1HG LYS 6 1HG LYS 6 -18.849 12.662 4.474 36 2HG LYS 6 2HG LYS 6 -19.262 12.884 6.177 37 1HD LYS 6 1HD LYS 6 -18.075 15.040 6.162 38 2HD LYS 6 2HD LYS 6 -17.718 14.818 4.448 39 1HE LYS 6 1HE LYS 6 -19.657 16.299 4.850 40 2HE LYS 6 2HE LYS 6 -20.065 14.866 3.906 41 1HZ LYS 6 1HZ LYS 6 -21.726 15.311 5.599 42 2HZ LYS 6 2HZ LYS 6 -20.553 15.218 6.815 43 3HZ LYS 6 3HZ LYS 6 -20.943 13.843 5.912 44 H TRP 7 H TRP 7 -15.789 10.682 3.957 45 HA TRP 7 HA TRP 7 -17.908 9.762 2.199 46 1HB TRP 7 1HB TRP 7 -14.962 10.151 1.629 47 2HB TRP 7 2HB TRP 7 -16.229 9.900 0.433 48 HD1 TRP 7 HD1 TRP 7 -14.866 12.556 2.838 49 HE1 TRP 7 HE1 TRP 7 -15.764 14.855 2.111 50 HE3 TRP 7 HE3 TRP 7 -18.131 11.044 -0.797 51 HZ2 TRP 7 HZ2 TRP 7 -17.610 15.891 0.245 52 HZ3 TRP 7 HZ3 TRP 7 -19.423 12.753 -2.006 53 HH2 TRP 7 HH2 TRP 7 -19.167 15.127 -1.494 54 H VAL 8 H VAL 8 -17.164 8.043 4.406 55 HA VAL 8 HA VAL 8 -15.458 5.954 3.688 56 HB VAL 8 HB VAL 8 -17.932 5.769 5.410 57 1HG1 VAL 8 1HG1 VAL 8 -16.671 3.906 6.493 58 2HG1 VAL 8 2HG1 VAL 8 -15.500 4.007 5.179 59 3HG1 VAL 8 3HG1 VAL 8 -17.175 3.576 4.836 60 1HG2 VAL 8 1HG2 VAL 8 -16.573 7.501 6.299 61 2HG2 VAL 8 2HG2 VAL 8 -15.100 6.560 6.052 62 3HG2 VAL 8 3HG2 VAL 8 -16.268 6.066 7.279 63 H ARG 9 H ARG 9 -18.972 6.271 3.191 64 HA ARG 9 HA ARG 9 -18.757 4.152 1.158 65 1HB ARG 9 1HB ARG 9 -21.043 3.407 1.804 66 2HB ARG 9 2HB ARG 9 -19.836 3.148 3.055 67 1HG ARG 9 1HG ARG 9 -20.616 5.186 4.194 68 2HG ARG 9 2HG ARG 9 -21.867 5.368 2.963 69 1HD ARG 9 1HD ARG 9 -21.545 3.023 4.833 70 2HD ARG 9 2HD ARG 9 -22.745 4.305 4.984 71 HE ARG 9 HE ARG 9 -23.286 3.376 2.547 72 1HH1 ARG 9 1HH1 ARG 9 -22.697 1.689 5.540 73 2HH1 ARG 9 2HH1 ARG 9 -23.719 0.351 5.135 74 1HH2 ARG 9 1HH2 ARG 9 -24.633 1.620 2.008 75 2HH2 ARG 9 2HH2 ARG 9 -24.819 0.311 3.127 76 H ARG 10 H ARG 10 -19.293 7.319 1.597 77 HA ARG 10 HA ARG 10 -21.637 7.811 0.106 78 1HB ARG 10 1HB ARG 10 -19.185 9.560 0.399 79 2HB ARG 10 2HB ARG 10 -20.761 10.091 -0.171 80 1HG ARG 10 1HG ARG 10 -20.196 8.996 2.578 81 2HG ARG 10 2HG ARG 10 -20.333 10.707 2.169 82 1HD ARG 10 1HD ARG 10 -22.431 10.071 3.053 83 2HD ARG 10 2HD ARG 10 -22.651 10.189 1.308 84 HE ARG 10 HE ARG 10 -22.015 7.538 2.237 85 1HH1 ARG 10 1HH1 ARG 10 -24.563 9.832 1.611 86 2HH1 ARG 10 2HH1 ARG 10 -25.785 8.619 1.422 87 1HH2 ARG 10 1HH2 ARG 10 -23.617 5.935 1.987 88 2HH2 ARG 10 2HH2 ARG 10 -25.247 6.404 1.637 89 H ASP 11 H ASP 11 -21.905 6.939 -1.833 90 HA ASP 11 HA ASP 11 -21.709 6.705 -4.095 91 1HB ASP 11 1HB ASP 11 -20.650 8.966 -4.108 92 2HB ASP 11 2HB ASP 11 -19.083 8.188 -3.889 93 H VAL 12 H VAL 12 -18.911 6.073 -2.074 94 HA VAL 12 HA VAL 12 -17.894 4.026 -3.846 95 HB VAL 12 HB VAL 12 -16.335 3.635 -1.806 96 1HG1 VAL 12 1HG1 VAL 12 -16.251 6.240 -3.322 97 2HG1 VAL 12 2HG1 VAL 12 -15.655 4.688 -3.908 98 3HG1 VAL 12 3HG1 VAL 12 -14.888 5.461 -2.521 99 1HG2 VAL 12 1HG2 VAL 12 -17.681 4.849 -0.175 100 2HG2 VAL 12 2HG2 VAL 12 -17.482 6.333 -1.106 101 3HG2 VAL 12 3HG2 VAL 12 -16.084 5.576 -0.344 102 H SER 13 H SER 13 -19.351 2.368 -3.945 103 HA SER 13 HA SER 13 -20.555 1.291 -1.551 104 1HB SER 13 1HB SER 13 -20.671 0.333 -4.418 105 2HB SER 13 2HB SER 13 -21.648 -0.295 -3.093 106 HG SER 13 HG SER 13 -22.916 1.212 -4.011 107 H THR 14 H THR 14 -20.632 -1.398 -2.020 108 HA THR 14 HA THR 14 -19.537 -3.344 -1.617 109 HB THR 14 HB THR 14 -17.018 -2.185 -2.779 110 HG1 THR 14 HG1 THR 14 -18.844 -1.663 -4.150 111 1HG2 THR 14 1HG2 THR 14 -16.821 -4.492 -3.688 112 2HG2 THR 14 2HG2 THR 14 -18.296 -4.924 -2.822 113 3HG2 THR 14 3HG2 THR 14 -16.856 -4.442 -1.926 114 H ALA 15 H ALA 15 -17.559 -4.289 -0.434 115 HA ALA 15 HA ALA 15 -17.114 -2.597 1.903 116 1HB ALA 15 1HB ALA 15 -18.039 -4.787 2.315 117 2HB ALA 15 2HB ALA 15 -16.424 -4.673 3.017 118 3HB ALA 15 3HB ALA 15 -16.669 -5.547 1.505 119 H LEU 16 H LEU 16 -15.050 -5.017 0.248 120 HA LEU 16 HA LEU 16 -12.709 -3.551 1.128 121 1HB LEU 16 1HB LEU 16 -12.607 -5.970 -0.629 122 2HB LEU 16 2HB LEU 16 -11.447 -5.419 0.565 123 HG LEU 16 HG LEU 16 -14.134 -6.668 1.137 124 1HD1 LEU 16 1HD1 LEU 16 -11.318 -7.661 1.544 125 2HD1 LEU 16 2HD1 LEU 16 -12.492 -8.276 0.380 126 3HD1 LEU 16 3HD1 LEU 16 -12.778 -8.472 2.110 127 1HD2 LEU 16 1HD2 LEU 16 -13.413 -6.596 3.495 128 2HD2 LEU 16 2HD2 LEU 16 -13.650 -4.989 2.809 129 3HD2 LEU 16 3HD2 LEU 16 -12.019 -5.627 3.019 130 H SER 17 H SER 17 -14.568 -3.850 -1.774 131 HA SER 17 HA SER 17 -12.641 -3.337 -3.714 132 1HB SER 17 1HB SER 17 -14.991 -3.937 -4.216 133 2HB SER 17 2HB SER 17 -15.492 -2.325 -3.705 134 HG SER 17 HG SER 17 -15.230 -2.398 -5.952 135 H ARG 18 H ARG 18 -14.573 -0.997 -1.840 136 HA ARG 18 HA ARG 18 -12.442 0.908 -1.886 137 1HB ARG 18 1HB ARG 18 -13.519 1.097 -4.190 138 2HB ARG 18 2HB ARG 18 -14.932 1.739 -3.366 139 1HG ARG 18 1HG ARG 18 -13.825 3.652 -3.996 140 2HG ARG 18 2HG ARG 18 -13.257 3.430 -2.339 141 1HD ARG 18 1HD ARG 18 -11.785 2.517 -4.810 142 2HD ARG 18 2HD ARG 18 -11.447 4.006 -3.929 143 HE ARG 18 HE ARG 18 -11.260 2.046 -2.040 144 1HH1 ARG 18 1HH1 ARG 18 -9.768 2.617 -5.139 145 2HH1 ARG 18 2HH1 ARG 18 -8.284 1.830 -4.714 146 1HH2 ARG 18 1HH2 ARG 18 -9.308 1.010 -1.473 147 2HH2 ARG 18 2HH2 ARG 18 -8.024 0.917 -2.631 148 H MET 19 H MET 19 -12.646 1.101 0.297 149 HA MET 19 HA MET 19 -15.080 2.443 1.256 150 1HB MET 19 1HB MET 19 -13.838 -0.053 2.261 151 2HB MET 19 2HB MET 19 -14.366 1.097 3.481 152 1HG MET 19 1HG MET 19 -16.174 0.180 1.274 153 2HG MET 19 2HG MET 19 -15.998 -0.719 2.780 154 1HE MET 19 1HE MET 19 -18.511 -0.586 3.368 155 2HE MET 19 2HE MET 19 -18.850 0.258 1.857 156 3HE MET 19 3HE MET 19 -19.465 0.897 3.382 157 H GLY 20 H GLY 20 -11.665 2.142 1.217 158 1HA GLY 20 1HA GLY 20 -10.177 3.877 1.757 159 2HA GLY 20 2HA GLY 20 -11.429 4.619 2.742 160 H ASP 21 H ASP 21 -11.091 4.546 4.858 161 HA ASP 21 HA ASP 21 -9.030 2.826 5.930 162 1HB ASP 21 1HB ASP 21 -10.803 4.887 7.261 163 2HB ASP 21 2HB ASP 21 -9.490 4.027 8.062 164 H GLU 22 H GLU 22 -12.420 2.735 5.580 165 HA GLU 22 HA GLU 22 -13.044 1.130 7.848 166 1HB GLU 22 1HB GLU 22 -14.759 2.443 6.701 167 2HB GLU 22 2HB GLU 22 -14.525 1.498 5.237 168 1HG GLU 22 1HG GLU 22 -16.519 0.787 6.404 169 2HG GLU 22 2HG GLU 22 -15.314 -0.501 6.399 170 H ALA 23 H ALA 23 -11.902 0.477 4.619 171 HA ALA 23 HA ALA 23 -12.250 -2.408 5.023 172 1HB ALA 23 1HB ALA 23 -13.092 -1.681 2.921 173 2HB ALA 23 2HB ALA 23 -11.591 -2.552 2.605 174 3HB ALA 23 3HB ALA 23 -11.612 -0.789 2.565 175 H PHE 24 H PHE 24 -10.042 -0.192 5.803 176 HA PHE 24 HA PHE 24 -7.600 -1.063 4.810 177 1HB PHE 24 1HB PHE 24 -8.213 0.973 6.310 178 2HB PHE 24 2HB PHE 24 -7.906 -0.132 7.646 179 HD1 PHE 24 HD1 PHE 24 -6.097 -0.029 4.417 180 HD2 PHE 24 HD2 PHE 24 -6.001 0.844 8.582 181 HE1 PHE 24 HE1 PHE 24 -3.698 0.447 4.257 182 HE2 PHE 24 HE2 PHE 24 -3.596 1.325 8.426 183 HZ PHE 24 HZ PHE 24 -2.441 1.125 6.262 184 H GLU 25 H GLU 25 -8.908 -1.854 8.036 185 HA GLU 25 HA GLU 25 -7.083 -3.950 8.480 186 1HB GLU 25 1HB GLU 25 -9.408 -4.525 9.937 187 2HB GLU 25 2HB GLU 25 -7.907 -3.832 10.527 188 1HG GLU 25 1HG GLU 25 -8.729 -1.596 10.084 189 2HG GLU 25 2HG GLU 25 -10.210 -2.255 9.392 190 HA PRO 26 HA PRO 26 -10.970 -6.872 7.301 191 1HB PRO 26 1HB PRO 26 -11.736 -5.183 4.969 192 2HB PRO 26 2HB PRO 26 -12.749 -6.189 6.008 193 1HG PRO 26 1HG PRO 26 -12.672 -3.505 6.210 194 2HG PRO 26 2HG PRO 26 -12.966 -4.560 7.603 195 1HD PRO 26 1HD PRO 26 -10.591 -2.950 6.926 196 2HD PRO 26 2HD PRO 26 -11.116 -3.584 8.495 197 H LEU 27 H LEU 27 -8.908 -4.874 5.409 198 HA LEU 27 HA LEU 27 -8.401 -6.798 3.329 199 1HB LEU 27 1HB LEU 27 -8.145 -4.732 2.439 200 2HB LEU 27 2HB LEU 27 -7.783 -4.011 3.998 201 HG LEU 27 HG LEU 27 -5.460 -4.929 3.787 202 1HD1 LEU 27 1HD1 LEU 27 -5.870 -6.688 2.174 203 2HD1 LEU 27 2HD1 LEU 27 -4.702 -5.537 1.524 204 3HD1 LEU 27 3HD1 LEU 27 -6.377 -5.500 0.971 205 1HD2 LEU 27 1HD2 LEU 27 -6.480 -2.974 1.735 206 2HD2 LEU 27 2HD2 LEU 27 -4.777 -3.204 2.127 207 3HD2 LEU 27 3HD2 LEU 27 -5.893 -2.612 3.359 208 H LEU 28 H LEU 28 -6.677 -5.352 6.056 209 HA LEU 28 HA LEU 28 -4.271 -6.750 5.898 210 1HB LEU 28 1HB LEU 28 -5.058 -4.776 7.408 211 2HB LEU 28 2HB LEU 28 -5.584 -6.034 8.504 212 HG LEU 28 HG LEU 28 -3.411 -5.111 9.131 213 1HD1 LEU 28 1HD1 LEU 28 -4.008 -7.499 9.586 214 2HD1 LEU 28 2HD1 LEU 28 -2.280 -7.156 9.541 215 3HD1 LEU 28 3HD1 LEU 28 -3.059 -7.938 8.166 216 1HD2 LEU 28 1HD2 LEU 28 -2.625 -4.519 6.888 217 2HD2 LEU 28 2HD2 LEU 28 -2.434 -6.230 6.507 218 3HD2 LEU 28 3HD2 LEU 28 -1.439 -5.489 7.761 219 H GLU 29 H GLU 29 -7.340 -7.582 7.397 220 HA GLU 29 HA GLU 29 -6.570 -9.834 8.835 221 1HB GLU 29 1HB GLU 29 -8.719 -8.725 9.152 222 2HB GLU 29 2HB GLU 29 -9.227 -9.212 7.542 223 1HG GLU 29 1HG GLU 29 -10.232 -10.621 9.238 224 2HG GLU 29 2HG GLU 29 -9.144 -11.552 8.208 225 H SER 30 H SER 30 -7.231 -9.395 5.445 226 HA SER 30 HA SER 30 -7.704 -12.084 4.741 227 1HB SER 30 1HB SER 30 -6.568 -9.845 3.050 228 2HB SER 30 2HB SER 30 -7.228 -11.361 2.439 229 HG SER 30 HG SER 30 -8.590 -9.269 2.698 230 H LEU 31 H LEU 31 -4.804 -10.388 5.517 231 HA LEU 31 HA LEU 31 -2.981 -12.044 4.101 232 1HB LEU 31 1HB LEU 31 -2.473 -10.426 6.598 233 2HB LEU 31 2HB LEU 31 -1.261 -11.034 5.484 234 HG LEU 31 HG LEU 31 -3.345 -8.942 4.845 235 1HD1 LEU 31 1HD1 LEU 31 -0.362 -8.663 5.164 236 2HD1 LEU 31 2HD1 LEU 31 -1.553 -8.194 6.378 237 3HD1 LEU 31 3HD1 LEU 31 -1.518 -7.378 4.814 238 1HD2 LEU 31 1HD2 LEU 31 -1.092 -10.067 3.183 239 2HD2 LEU 31 2HD2 LEU 31 -2.075 -8.669 2.750 240 3HD2 LEU 31 3HD2 LEU 31 -2.819 -10.262 2.885 241 H SER 32 H SER 32 -4.922 -12.629 6.784 242 HA SER 32 HA SER 32 -3.148 -14.776 7.742 243 1HB SER 32 1HB SER 32 -3.837 -13.095 9.443 244 2HB SER 32 2HB SER 32 -5.520 -13.534 9.158 245 HG SER 32 HG SER 32 -3.785 -14.696 10.783 246 H ASN 33 H ASN 33 -5.289 -14.536 5.483 247 HA ASN 33 HA ASN 33 -7.258 -16.488 6.229 248 1HB ASN 33 1HB ASN 33 -7.670 -14.646 4.584 249 2HB ASN 33 2HB ASN 33 -6.582 -15.464 3.466 250 1HD2 ASN 33 1HD2 ASN 33 -8.764 -17.105 5.640 251 2HD2 ASN 33 2HD2 ASN 33 -9.813 -17.734 4.423 252 H GLU 34 H GLU 34 -7.274 -18.637 5.837 253 HA GLU 34 HA GLU 34 -4.905 -20.039 5.442 254 1HB GLU 34 1HB GLU 34 -6.936 -20.933 6.547 255 2HB GLU 34 2HB GLU 34 -7.728 -21.016 4.979 256 1HG GLU 34 1HG GLU 34 -6.004 -22.589 4.218 257 2HG GLU 34 2HG GLU 34 -5.280 -22.536 5.823 258 H ASP 35 H ASP 35 -7.189 -18.770 3.154 259 HA ASP 35 HA ASP 35 -6.187 -20.367 0.956 260 1HB ASP 35 1HB ASP 35 -8.085 -18.010 0.924 261 2HB ASP 35 2HB ASP 35 -7.774 -19.112 -0.415 262 H TRP 36 H TRP 36 -4.630 -19.810 -0.435 263 HA TRP 36 HA TRP 36 -3.165 -17.358 0.028 264 1HB TRP 36 1HB TRP 36 -1.588 -18.280 -1.667 265 2HB TRP 36 2HB TRP 36 -1.880 -19.377 -0.321 266 HD1 TRP 36 HD1 TRP 36 -3.186 -21.643 -0.839 267 HE1 TRP 36 HE1 TRP 36 -3.685 -22.885 -3.038 268 HE3 TRP 36 HE3 TRP 36 -2.134 -17.895 -4.154 269 HZ2 TRP 36 HZ2 TRP 36 -3.640 -22.354 -5.800 270 HZ3 TRP 36 HZ3 TRP 36 -2.388 -18.349 -6.560 271 HH2 TRP 36 HH2 TRP 36 -3.125 -20.535 -7.361 272 H ARG 37 H ARG 37 -5.411 -18.646 -2.283 273 HA ARG 37 HA ARG 37 -4.904 -16.927 -4.449 274 1HB ARG 37 1HB ARG 37 -7.505 -18.206 -3.585 275 2HB ARG 37 2HB ARG 37 -7.207 -17.478 -5.158 276 1HG ARG 37 1HG ARG 37 -5.617 -19.153 -5.723 277 2HG ARG 37 2HG ARG 37 -5.622 -19.793 -4.078 278 1HD ARG 37 1HD ARG 37 -6.944 -21.149 -5.689 279 2HD ARG 37 2HD ARG 37 -7.879 -20.559 -4.316 280 HE ARG 37 HE ARG 37 -8.052 -18.790 -6.538 281 1HH1 ARG 37 1HH1 ARG 37 -9.258 -21.811 -5.285 282 2HH1 ARG 37 2HH1 ARG 37 -10.754 -21.720 -6.152 283 1HH2 ARG 37 1HH2 ARG 37 -10.020 -18.662 -7.679 284 2HH2 ARG 37 2HH2 ARG 37 -11.188 -19.930 -7.514 285 H ILE 38 H ILE 38 -7.011 -16.623 -1.631 286 HA ILE 38 HA ILE 38 -8.032 -14.055 -2.439 287 HB ILE 38 HB ILE 38 -8.228 -15.356 0.280 288 1HG1 ILE 38 1HG1 ILE 38 -10.215 -15.513 -1.996 289 2HG1 ILE 38 2HG1 ILE 38 -9.073 -16.794 -1.606 290 1HG2 ILE 38 1HG2 ILE 38 -10.133 -13.924 0.615 291 2HG2 ILE 38 2HG2 ILE 38 -10.009 -13.307 -1.033 292 3HG2 ILE 38 3HG2 ILE 38 -8.751 -12.934 0.146 293 1HD1 ILE 38 1HD1 ILE 38 -11.304 -15.766 0.128 294 2HD1 ILE 38 2HD1 ILE 38 -10.095 -16.939 0.648 295 3HD1 ILE 38 3HD1 ILE 38 -11.201 -17.337 -0.668 296 H ARG 39 H ARG 39 -5.480 -15.274 -0.378 297 HA ARG 39 HA ARG 39 -4.947 -12.892 1.041 298 1HB ARG 39 1HB ARG 39 -4.094 -15.085 1.757 299 2HB ARG 39 2HB ARG 39 -3.064 -15.152 0.334 300 1HG ARG 39 1HG ARG 39 -1.970 -13.041 1.166 301 2HG ARG 39 2HG ARG 39 -2.862 -13.274 2.670 302 1HD ARG 39 1HD ARG 39 -0.905 -15.211 1.440 303 2HD ARG 39 2HD ARG 39 -0.601 -14.177 2.834 304 HE ARG 39 HE ARG 39 -2.677 -15.532 3.724 305 1HH1 ARG 39 1HH1 ARG 39 0.076 -16.676 1.924 306 2HH1 ARG 39 2HH1 ARG 39 0.048 -18.255 2.635 307 1HH2 ARG 39 1HH2 ARG 39 -2.722 -17.609 4.666 308 2HH2 ARG 39 2HH2 ARG 39 -1.544 -18.787 4.193 309 H GLY 40 H GLY 40 -3.859 -14.130 -2.068 310 1HA GLY 40 1HA GLY 40 -1.760 -12.363 -2.574 311 2HA GLY 40 2HA GLY 40 -2.766 -13.109 -3.809 312 H ALA 41 H ALA 41 -5.204 -12.013 -3.384 313 HA ALA 41 HA ALA 41 -5.071 -9.546 -4.648 314 1HB ALA 41 1HB ALA 41 -7.305 -10.704 -2.985 315 2HB ALA 41 2HB ALA 41 -7.067 -10.906 -4.721 316 3HB ALA 41 3HB ALA 41 -7.460 -9.316 -4.064 317 H ALA 42 H ALA 42 -5.208 -10.340 -1.217 318 HA ALA 42 HA ALA 42 -5.780 -7.829 -0.164 319 1HB ALA 42 1HB ALA 42 -3.945 -9.918 1.007 320 2HB ALA 42 2HB ALA 42 -5.698 -9.883 1.180 321 3HB ALA 42 3HB ALA 42 -4.717 -8.599 1.884 322 H ALA 43 H ALA 43 -2.587 -9.283 -0.788 323 HA ALA 43 HA ALA 43 -1.075 -6.988 -0.144 324 1HB ALA 43 1HB ALA 43 -0.405 -9.304 -1.959 325 2HB ALA 43 2HB ALA 43 -0.064 -9.187 -0.233 326 3HB ALA 43 3HB ALA 43 0.751 -8.109 -1.369 327 H TRP 44 H TRP 44 -2.507 -8.167 -3.130 328 HA TRP 44 HA TRP 44 -1.292 -6.366 -4.903 329 1HB TRP 44 1HB TRP 44 -3.615 -8.198 -4.993 330 2HB TRP 44 2HB TRP 44 -3.541 -6.935 -6.218 331 HD1 TRP 44 HD1 TRP 44 -1.178 -9.673 -4.800 332 HE1 TRP 44 HE1 TRP 44 0.240 -10.581 -6.746 333 HE3 TRP 44 HE3 TRP 44 -2.891 -6.637 -8.541 334 HZ2 TRP 44 HZ2 TRP 44 0.589 -10.077 -9.499 335 HZ3 TRP 44 HZ3 TRP 44 -1.961 -6.913 -10.802 336 HH2 TRP 44 HH2 TRP 44 -0.255 -8.598 -11.269 337 H ILE 45 H ILE 45 -4.023 -6.015 -2.777 338 HA ILE 45 HA ILE 45 -4.751 -3.459 -4.011 339 HB ILE 45 HB ILE 45 -6.143 -5.022 -1.830 340 1HG1 ILE 45 1HG1 ILE 45 -6.251 -6.126 -4.020 341 2HG1 ILE 45 2HG1 ILE 45 -7.830 -5.512 -3.542 342 1HG2 ILE 45 1HG2 ILE 45 -6.558 -2.648 -1.582 343 2HG2 ILE 45 2HG2 ILE 45 -8.009 -3.457 -2.177 344 3HG2 ILE 45 3HG2 ILE 45 -7.003 -2.523 -3.286 345 1HD1 ILE 45 1HD1 ILE 45 -7.549 -3.609 -5.032 346 2HD1 ILE 45 2HD1 ILE 45 -7.390 -5.135 -5.904 347 3HD1 ILE 45 3HD1 ILE 45 -5.952 -4.198 -5.495 348 H ILE 46 H ILE 46 -3.168 -4.803 -1.260 349 HA ILE 46 HA ILE 46 -3.470 -2.724 0.593 350 HB ILE 46 HB ILE 46 -2.269 -5.172 0.643 351 1HG1 ILE 46 1HG1 ILE 46 -1.413 -3.322 2.783 352 2HG1 ILE 46 2HG1 ILE 46 -3.138 -3.352 2.445 353 1HG2 ILE 46 1HG2 ILE 46 -0.236 -4.274 -0.425 354 2HG2 ILE 46 2HG2 ILE 46 0.065 -4.913 1.191 355 3HG2 ILE 46 3HG2 ILE 46 -0.035 -3.171 0.937 356 1HD1 ILE 46 1HD1 ILE 46 -2.607 -4.902 4.211 357 2HD1 ILE 46 2HD1 ILE 46 -1.421 -5.706 3.184 358 3HD1 ILE 46 3HD1 ILE 46 -3.135 -5.786 2.779 359 H GLY 47 H GLY 47 -1.333 -3.057 -2.158 360 1HA GLY 47 1HA GLY 47 0.581 -1.116 -1.473 361 2HA GLY 47 2HA GLY 47 0.172 -1.604 -3.109 362 H ASN 48 H ASN 48 -2.653 -0.781 -2.737 363 HA ASN 48 HA ASN 48 -2.472 1.818 -3.762 364 1HB ASN 48 1HB ASN 48 -4.894 0.698 -2.355 365 2HB ASN 48 2HB ASN 48 -4.853 1.884 -3.656 366 1HD2 ASN 48 1HD2 ASN 48 -2.805 0.414 -5.136 367 2HD2 ASN 48 2HD2 ASN 48 -3.612 -0.937 -5.850 368 H PHE 49 H PHE 49 -2.592 0.625 -0.512 369 HA PHE 49 HA PHE 49 -3.107 3.282 0.580 370 1HB PHE 49 1HB PHE 49 -2.713 0.650 2.021 371 2HB PHE 49 2HB PHE 49 -3.250 2.162 2.745 372 HD1 PHE 49 HD1 PHE 49 -4.182 -0.469 0.319 373 HD2 PHE 49 HD2 PHE 49 -5.518 2.771 2.733 374 HE1 PHE 49 HE1 PHE 49 -6.515 -1.080 -0.159 375 HE2 PHE 49 HE2 PHE 49 -7.854 2.165 2.258 376 HZ PHE 49 HZ PHE 49 -8.357 0.238 0.811 377 H GLN 50 H GLN 50 -1.421 4.571 0.745 378 HA GLN 50 HA GLN 50 1.275 3.573 0.936 379 1HB GLN 50 1HB GLN 50 0.245 6.413 1.077 380 2HB GLN 50 2HB GLN 50 1.926 5.933 0.873 381 1HG GLN 50 1HG GLN 50 1.349 6.380 -1.288 382 2HG GLN 50 2HG GLN 50 0.996 4.654 -1.195 383 1HE2 GLN 50 1HE2 GLN 50 -0.483 4.783 -2.881 384 2HE2 GLN 50 2HE2 GLN 50 -2.047 5.489 -2.678 385 H ASP 51 H ASP 51 -0.373 2.824 3.070 386 HA ASP 51 HA ASP 51 0.595 4.415 5.335 387 1HB ASP 51 1HB ASP 51 -1.535 2.270 5.202 388 2HB ASP 51 2HB ASP 51 -1.098 3.184 6.643 389 H GLU 52 H GLU 52 1.424 3.272 7.223 390 HA GLU 52 HA GLU 52 3.484 1.480 6.561 391 1HB GLU 52 1HB GLU 52 3.905 1.330 8.949 392 2HB GLU 52 2HB GLU 52 3.581 2.997 8.491 393 1HG GLU 52 1HG GLU 52 1.328 2.829 9.351 394 2HG GLU 52 2HG GLU 52 1.578 1.126 9.734 395 H ARG 53 H ARG 53 0.227 0.931 7.771 396 HA ARG 53 HA ARG 53 0.592 -1.773 8.522 397 1HB ARG 53 1HB ARG 53 -1.328 -0.408 9.265 398 2HB ARG 53 2HB ARG 53 -1.936 -0.383 7.619 399 1HG ARG 53 1HG ARG 53 -2.506 -2.641 7.661 400 2HG ARG 53 2HG ARG 53 -1.483 -2.966 9.064 401 1HD ARG 53 1HD ARG 53 -4.009 -1.315 9.046 402 2HD ARG 53 2HD ARG 53 -3.847 -2.955 9.675 403 HE ARG 53 HE ARG 53 -2.087 -0.976 10.852 404 1HH1 ARG 53 1HH1 ARG 53 -5.110 -2.699 11.066 405 2HH1 ARG 53 2HH1 ARG 53 -5.298 -2.414 12.763 406 1HH2 ARG 53 1HH2 ARG 53 -2.329 -0.598 13.085 407 2HH2 ARG 53 2HH2 ARG 53 -3.719 -1.219 13.910 408 H ALA 54 H ALA 54 0.586 -0.279 5.511 409 HA ALA 54 HA ALA 54 -0.196 -2.751 4.123 410 1HB ALA 54 1HB ALA 54 -1.425 -0.736 3.454 411 2HB ALA 54 2HB ALA 54 -0.461 -1.384 2.127 412 3HB ALA 54 3HB ALA 54 0.096 0.038 3.008 413 H VAL 55 H VAL 55 2.445 -1.204 5.277 414 HA VAL 55 HA VAL 55 4.230 -1.778 3.053 415 HB VAL 55 HB VAL 55 4.768 -0.579 5.772 416 1HG1 VAL 55 1HG1 VAL 55 6.708 -1.811 4.860 417 2HG1 VAL 55 2HG1 VAL 55 6.986 -0.076 4.990 418 3HG1 VAL 55 3HG1 VAL 55 6.636 -0.797 3.420 419 1HG2 VAL 55 1HG2 VAL 55 4.679 0.683 3.035 420 2HG2 VAL 55 2HG2 VAL 55 5.064 1.507 4.546 421 3HG2 VAL 55 3HG2 VAL 55 3.449 0.850 4.287 422 H GLU 56 H GLU 56 3.441 -2.993 6.254 423 HA GLU 56 HA GLU 56 5.631 -4.695 6.633 424 1HB GLU 56 1HB GLU 56 3.955 -4.078 8.376 425 2HB GLU 56 2HB GLU 56 2.814 -5.171 7.604 426 1HG GLU 56 1HG GLU 56 4.616 -6.966 7.928 427 2HG GLU 56 2HG GLU 56 5.346 -5.823 9.056 428 HA PRO 57 HA PRO 57 2.536 -8.105 4.605 429 1HB PRO 57 1HB PRO 57 1.909 -6.218 2.371 430 2HB PRO 57 2HB PRO 57 0.949 -7.556 3.013 431 1HG PRO 57 1HG PRO 57 0.358 -5.053 3.665 432 2HG PRO 57 2HG PRO 57 0.264 -6.348 4.874 433 1HD PRO 57 1HD PRO 57 2.287 -4.192 4.556 434 2HD PRO 57 2HD PRO 57 1.713 -4.996 6.030 435 H LEU 58 H LEU 58 4.045 -5.711 2.403 436 HA LEU 58 HA LEU 58 5.061 -7.510 0.578 437 1HB LEU 58 1HB LEU 58 6.476 -4.983 1.374 438 2HB LEU 58 2HB LEU 58 6.469 -5.765 -0.192 439 HG LEU 58 HG LEU 58 4.993 -4.155 -0.700 440 1HD1 LEU 58 1HD1 LEU 58 3.662 -6.331 -0.533 441 2HD1 LEU 58 2HD1 LEU 58 2.773 -4.816 -0.669 442 3HD1 LEU 58 3HD1 LEU 58 2.932 -5.605 0.898 443 1HD2 LEU 58 1HD2 LEU 58 5.375 -2.927 1.343 444 2HD2 LEU 58 2HD2 LEU 58 4.218 -3.951 2.191 445 3HD2 LEU 58 3HD2 LEU 58 3.670 -2.886 0.900 446 H ILE 59 H ILE 59 6.325 -6.642 3.720 447 HA ILE 59 HA ILE 59 8.965 -7.444 3.460 448 HB ILE 59 HB ILE 59 7.235 -7.813 5.903 449 1HG1 ILE 59 1HG1 ILE 59 7.159 -5.504 5.059 450 2HG1 ILE 59 2HG1 ILE 59 8.034 -5.598 6.584 451 1HG2 ILE 59 1HG2 ILE 59 9.297 -9.032 6.111 452 2HG2 ILE 59 2HG2 ILE 59 9.383 -7.589 7.122 453 3HG2 ILE 59 3HG2 ILE 59 10.226 -7.632 5.574 454 1HD1 ILE 59 1HD1 ILE 59 9.300 -5.436 3.857 455 2HD1 ILE 59 2HD1 ILE 59 10.146 -5.455 5.405 456 3HD1 ILE 59 3HD1 ILE 59 9.107 -4.094 4.984 457 H LYS 60 H LYS 60 6.286 -9.437 4.727 458 HA LYS 60 HA LYS 60 7.815 -11.830 4.731 459 1HB LYS 60 1HB LYS 60 5.925 -11.539 6.232 460 2HB LYS 60 2HB LYS 60 4.828 -11.408 4.864 461 1HG LYS 60 1HG LYS 60 5.536 -13.747 4.230 462 2HG LYS 60 2HG LYS 60 6.335 -13.833 5.800 463 1HD LYS 60 1HD LYS 60 3.408 -13.230 5.389 464 2HD LYS 60 2HD LYS 60 4.059 -14.818 5.798 465 1HE LYS 60 1HE LYS 60 4.258 -12.307 7.459 466 2HE LYS 60 2HE LYS 60 3.243 -13.710 7.793 467 1HZ LYS 60 1HZ LYS 60 6.202 -13.835 7.633 468 2HZ LYS 60 2HZ LYS 60 5.152 -15.038 8.190 469 3HZ LYS 60 3HZ LYS 60 5.355 -13.613 9.081 470 H LEU 61 H LEU 61 5.562 -10.395 2.454 471 HA LEU 61 HA LEU 61 5.016 -12.520 0.785 472 1HB LEU 61 1HB LEU 61 5.254 -9.577 0.353 473 2HB LEU 61 2HB LEU 61 4.985 -10.629 -1.020 474 HG LEU 61 HG LEU 61 2.832 -11.110 -0.421 475 1HD1 LEU 61 1HD1 LEU 61 1.968 -10.871 1.933 476 2HD1 LEU 61 2HD1 LEU 61 3.640 -10.630 2.439 477 3HD1 LEU 61 3HD1 LEU 61 3.159 -12.148 1.685 478 1HD2 LEU 61 1HD2 LEU 61 1.774 -9.057 0.521 479 2HD2 LEU 61 2HD2 LEU 61 2.875 -8.759 -0.824 480 3HD2 LEU 61 3HD2 LEU 61 3.392 -8.431 0.829 481 H LEU 62 H LEU 62 7.653 -10.155 0.328 482 HA LEU 62 HA LEU 62 8.812 -11.237 -1.920 483 1HB LEU 62 1HB LEU 62 10.280 -9.983 0.398 484 2HB LEU 62 2HB LEU 62 10.852 -10.101 -1.255 485 HG LEU 62 HG LEU 62 8.297 -8.653 -0.690 486 1HD1 LEU 62 1HD1 LEU 62 9.790 -7.671 0.903 487 2HD1 LEU 62 2HD1 LEU 62 9.622 -6.564 -0.459 488 3HD1 LEU 62 3HD1 LEU 62 11.070 -7.554 -0.299 489 1HD2 LEU 62 1HD2 LEU 62 8.895 -9.073 -3.000 490 2HD2 LEU 62 2HD2 LEU 62 10.479 -8.340 -2.748 491 3HD2 LEU 62 3HD2 LEU 62 9.023 -7.350 -2.645 492 H GLU 63 H GLU 63 8.612 -12.672 1.149 493 HA GLU 63 HA GLU 63 10.795 -14.539 0.496 494 1HB GLU 63 1HB GLU 63 10.224 -13.128 2.878 495 2HB GLU 63 2HB GLU 63 9.863 -14.818 3.199 496 1HG GLU 63 1HG GLU 63 12.464 -13.804 2.078 497 2HG GLU 63 2HG GLU 63 12.170 -14.172 3.777 498 H ASP 64 H ASP 64 7.417 -14.196 0.923 499 HA ASP 64 HA ASP 64 6.699 -16.782 1.714 500 1HB ASP 64 1HB ASP 64 5.228 -14.685 1.558 501 2HB ASP 64 2HB ASP 64 5.029 -15.113 -0.139 502 H ASP 65 H ASP 65 7.479 -15.463 -1.381 503 HA ASP 65 HA ASP 65 7.754 -16.371 -3.453 504 1HB ASP 65 1HB ASP 65 8.405 -18.758 -1.724 505 2HB ASP 65 2HB ASP 65 8.625 -18.747 -3.473 506 H SER 66 H SER 66 5.055 -16.413 -2.287 507 HA SER 66 HA SER 66 3.853 -18.876 -3.216 508 1HB SER 66 1HB SER 66 2.934 -17.723 -1.250 509 2HB SER 66 2HB SER 66 2.569 -16.318 -2.246 510 HG SER 66 HG SER 66 0.753 -17.271 -2.647 511 H GLY 67 H GLY 67 5.045 -16.296 -4.826 512 1HA GLY 67 1HA GLY 67 4.844 -15.755 -7.073 513 2HA GLY 67 2HA GLY 67 3.516 -16.900 -7.193 514 H PHE 68 H PHE 68 1.410 -16.206 -6.347 515 HA PHE 68 HA PHE 68 0.647 -13.684 -7.331 516 1HB PHE 68 1HB PHE 68 -0.814 -15.734 -7.009 517 2HB PHE 68 2HB PHE 68 -0.855 -15.346 -5.298 518 HD1 PHE 68 HD1 PHE 68 -0.866 -12.220 -6.832 519 HD2 PHE 68 HD2 PHE 68 -3.351 -15.646 -6.279 520 HE1 PHE 68 HE1 PHE 68 -2.862 -10.846 -7.223 521 HE2 PHE 68 HE2 PHE 68 -5.343 -14.262 -6.664 522 HZ PHE 68 HZ PHE 68 -5.101 -11.860 -7.136 523 H VAL 69 H VAL 69 1.202 -14.872 -4.046 524 HA VAL 69 HA VAL 69 0.600 -12.387 -2.784 525 HB VAL 69 HB VAL 69 2.216 -14.629 -1.591 526 1HG1 VAL 69 1HG1 VAL 69 2.245 -12.793 -0.149 527 2HG1 VAL 69 2HG1 VAL 69 0.959 -13.825 0.475 528 3HG1 VAL 69 3HG1 VAL 69 0.558 -12.395 -0.477 529 1HG2 VAL 69 1HG2 VAL 69 -0.787 -14.391 -1.753 530 2HG2 VAL 69 2HG2 VAL 69 0.098 -15.599 -0.820 531 3HG2 VAL 69 3HG2 VAL 69 0.208 -15.589 -2.580 532 H ARG 70 H ARG 70 3.635 -14.084 -3.562 533 HA ARG 70 HA ARG 70 5.363 -12.184 -2.409 534 1HB ARG 70 1HB ARG 70 6.045 -14.481 -3.035 535 2HB ARG 70 2HB ARG 70 5.937 -14.030 -4.731 536 1HG ARG 70 1HG ARG 70 7.622 -12.173 -4.103 537 2HG ARG 70 2HG ARG 70 7.918 -13.157 -2.671 538 1HD ARG 70 1HD ARG 70 9.485 -13.611 -4.543 539 2HD ARG 70 2HD ARG 70 8.581 -15.025 -4.014 540 HE ARG 70 HE ARG 70 7.063 -14.203 -6.025 541 1HH1 ARG 70 1HH1 ARG 70 10.530 -14.478 -5.816 542 2HH1 ARG 70 2HH1 ARG 70 10.733 -14.829 -7.500 543 1HH2 ARG 70 1HH2 ARG 70 7.321 -14.668 -8.243 544 2HH2 ARG 70 2HH2 ARG 70 8.909 -14.938 -8.880 545 H SER 71 H SER 71 4.621 -12.682 -5.867 546 HA SER 71 HA SER 71 5.990 -10.528 -6.903 547 1HB SER 71 1HB SER 71 4.818 -12.331 -8.215 548 2HB SER 71 2HB SER 71 3.308 -11.470 -7.921 549 HG SER 71 HG SER 71 4.362 -9.624 -8.926 550 H GLY 72 H GLY 72 2.877 -10.589 -5.301 551 1HA GLY 72 1HA GLY 72 1.860 -8.111 -6.028 552 2HA GLY 72 2HA GLY 72 1.585 -8.881 -4.471 553 H ALA 73 H ALA 73 4.061 -8.882 -3.347 554 HA ALA 73 HA ALA 73 4.291 -6.394 -2.213 555 1HB ALA 73 1HB ALA 73 6.440 -8.477 -2.557 556 2HB ALA 73 2HB ALA 73 5.307 -8.332 -1.213 557 3HB ALA 73 3HB ALA 73 6.541 -7.097 -1.465 558 H ALA 74 H ALA 74 5.732 -7.555 -5.187 559 HA ALA 74 HA ALA 74 7.704 -5.584 -5.508 560 1HB ALA 74 1HB ALA 74 7.575 -7.682 -6.813 561 2HB ALA 74 2HB ALA 74 7.783 -6.247 -7.817 562 3HB ALA 74 3HB ALA 74 6.200 -7.014 -7.692 563 H ARG 75 H ARG 75 4.515 -5.764 -7.114 564 HA ARG 75 HA ARG 75 4.644 -3.190 -8.211 565 1HB ARG 75 1HB ARG 75 2.043 -3.472 -8.236 566 2HB ARG 75 2HB ARG 75 3.054 -4.490 -9.251 567 1HG ARG 75 1HG ARG 75 2.283 -6.320 -8.280 568 2HG ARG 75 2HG ARG 75 2.702 -5.708 -6.682 569 1HD ARG 75 1HD ARG 75 0.203 -4.942 -8.176 570 2HD ARG 75 2HD ARG 75 0.279 -6.252 -6.999 571 HE ARG 75 HE ARG 75 0.331 -3.402 -6.454 572 1HH1 ARG 75 1HH1 ARG 75 0.861 -6.622 -5.238 573 2HH1 ARG 75 2HH1 ARG 75 0.664 -6.167 -3.579 574 1HH2 ARG 75 1HH2 ARG 75 0.056 -2.801 -4.260 575 2HH2 ARG 75 2HH2 ARG 75 0.208 -4.003 -3.026 576 H SER 76 H SER 76 3.712 -4.267 -5.037 577 HA SER 76 HA SER 76 2.187 -2.050 -4.237 578 1HB SER 76 1HB SER 76 2.249 -4.142 -2.957 579 2HB SER 76 2HB SER 76 3.937 -3.845 -2.541 580 HG SER 76 HG SER 76 2.133 -3.180 -1.018 581 H LEU 77 H LEU 77 5.653 -2.716 -3.714 582 HA LEU 77 HA LEU 77 6.308 -0.365 -2.400 583 1HB LEU 77 1HB LEU 77 7.809 -2.321 -4.055 584 2HB LEU 77 2HB LEU 77 8.593 -0.800 -3.675 585 HG LEU 77 HG LEU 77 8.096 -1.311 -1.237 586 1HD1 LEU 77 1HD1 LEU 77 6.396 -3.044 -1.670 587 2HD1 LEU 77 2HD1 LEU 77 7.705 -3.606 -0.628 588 3HD1 LEU 77 3HD1 LEU 77 7.663 -4.083 -2.326 589 1HD2 LEU 77 1HD2 LEU 77 9.939 -3.140 -2.760 590 2HD2 LEU 77 2HD2 LEU 77 10.046 -2.758 -1.041 591 3HD2 LEU 77 3HD2 LEU 77 10.308 -1.495 -2.245 592 H GLU 78 H GLU 78 6.859 -1.017 -5.865 593 HA GLU 78 HA GLU 78 7.581 1.561 -6.594 594 1HB GLU 78 1HB GLU 78 6.082 -0.449 -8.288 595 2HB GLU 78 2HB GLU 78 7.016 0.917 -8.884 596 1HG GLU 78 1HG GLU 78 9.054 -0.062 -8.002 597 2HG GLU 78 2HG GLU 78 8.135 -1.414 -7.341 598 H GLN 79 H GLN 79 4.484 0.248 -5.854 599 HA GLN 79 HA GLN 79 2.894 2.210 -7.177 600 1HB GLN 79 1HB GLN 79 2.455 -0.061 -5.407 601 2HB GLN 79 2HB GLN 79 1.374 1.278 -5.052 602 1HG GLN 79 1HG GLN 79 0.318 1.146 -7.079 603 2HG GLN 79 2HG GLN 79 1.709 0.421 -7.880 604 1HE2 GLN 79 1HE2 GLN 79 0.498 -0.729 -4.824 605 2HE2 GLN 79 2HE2 GLN 79 -0.127 -2.228 -5.411 606 H ILE 80 H ILE 80 3.962 1.817 -3.811 607 HA ILE 80 HA ILE 80 2.730 4.222 -2.906 608 HB ILE 80 HB ILE 80 4.931 2.583 -1.645 609 1HG1 ILE 80 1HG1 ILE 80 1.953 2.626 -1.097 610 2HG1 ILE 80 2HG1 ILE 80 2.787 1.381 -2.022 611 1HG2 ILE 80 1HG2 ILE 80 4.277 3.718 0.447 612 2HG2 ILE 80 2HG2 ILE 80 3.193 4.757 -0.478 613 3HG2 ILE 80 3HG2 ILE 80 4.933 4.832 -0.752 614 1HD1 ILE 80 1HD1 ILE 80 4.036 0.723 -0.064 615 2HD1 ILE 80 2HD1 ILE 80 2.308 0.703 0.286 616 3HD1 ILE 80 3HD1 ILE 80 3.311 2.031 0.870 617 H GLY 81 H GLY 81 6.183 3.374 -3.249 618 1HA GLY 81 1HA GLY 81 7.992 4.655 -3.848 619 2HA GLY 81 2HA GLY 81 6.862 5.800 -4.551 620 H GLY 82 H GLY 82 9.262 5.538 -2.369 621 1HA GLY 82 1HA GLY 82 9.417 7.948 -1.334 622 2HA GLY 82 2HA GLY 82 8.081 7.329 -0.379 623 H GLU 83 H GLU 83 9.987 8.089 1.147 624 HA GLU 83 HA GLU 83 12.164 6.335 1.555 625 1HB GLU 83 1HB GLU 83 11.786 8.749 2.414 626 2HB GLU 83 2HB GLU 83 10.907 7.988 3.732 627 1HG GLU 83 1HG GLU 83 13.748 7.311 3.025 628 2HG GLU 83 2HG GLU 83 13.301 8.546 4.202 629 H ARG 84 H ARG 84 8.860 6.352 2.667 630 HA ARG 84 HA ARG 84 9.088 4.543 4.793 631 1HB ARG 84 1HB ARG 84 6.693 4.259 4.630 632 2HB ARG 84 2HB ARG 84 7.098 5.949 4.389 633 1HG ARG 84 1HG ARG 84 6.548 4.041 2.128 634 2HG ARG 84 2HG ARG 84 5.314 5.042 2.888 635 1HD ARG 84 1HD ARG 84 7.774 5.989 1.420 636 2HD ARG 84 2HD ARG 84 6.098 6.133 0.890 637 HE ARG 84 HE ARG 84 6.681 7.404 3.417 638 1HH1 ARG 84 1HH1 ARG 84 6.511 7.777 -0.042 639 2HH1 ARG 84 2HH1 ARG 84 6.338 9.498 0.022 640 1HH2 ARG 84 1HH2 ARG 84 6.453 9.667 3.512 641 2HH2 ARG 84 2HH2 ARG 84 6.306 10.573 2.043 642 H VAL 85 H VAL 85 8.190 3.941 1.393 643 HA VAL 85 HA VAL 85 8.108 1.111 1.726 644 HB VAL 85 HB VAL 85 8.601 1.590 -0.992 645 1HG1 VAL 85 1HG1 VAL 85 6.204 1.072 -1.229 646 2HG1 VAL 85 2HG1 VAL 85 6.005 1.283 0.511 647 3HG1 VAL 85 3HG1 VAL 85 7.024 -0.017 -0.110 648 1HG2 VAL 85 1HG2 VAL 85 8.354 3.987 -0.618 649 2HG2 VAL 85 2HG2 VAL 85 6.787 3.717 0.146 650 3HG2 VAL 85 3HG2 VAL 85 7.007 3.355 -1.565 651 H ARG 86 H ARG 86 10.600 3.403 1.167 652 HA ARG 86 HA ARG 86 12.533 1.849 -0.114 653 1HB ARG 86 1HB ARG 86 12.482 4.389 0.586 654 2HB ARG 86 2HB ARG 86 13.312 3.798 2.019 655 1HG ARG 86 1HG ARG 86 15.036 2.796 0.543 656 2HG ARG 86 2HG ARG 86 14.230 3.547 -0.837 657 1HD ARG 86 1HD ARG 86 14.561 5.751 0.189 658 2HD ARG 86 2HD ARG 86 15.396 4.988 1.541 659 HE ARG 86 HE ARG 86 16.728 4.183 -0.740 660 1HH1 ARG 86 1HH1 ARG 86 15.989 7.193 0.849 661 2HH1 ARG 86 2HH1 ARG 86 17.427 7.988 0.302 662 1HH2 ARG 86 1HH2 ARG 86 18.629 5.222 -1.467 663 2HH2 ARG 86 2HH2 ARG 86 18.928 6.866 -1.015 664 H ALA 87 H ALA 87 11.291 1.715 3.088 665 HA ALA 87 HA ALA 87 13.524 0.370 4.280 666 1HB ALA 87 1HB ALA 87 11.993 1.695 5.644 667 2HB ALA 87 2HB ALA 87 12.019 0.017 6.181 668 3HB ALA 87 3HB ALA 87 10.666 0.615 5.222 669 H ALA 88 H ALA 88 10.569 -0.535 2.645 670 HA ALA 88 HA ALA 88 10.402 -3.225 3.355 671 1HB ALA 88 1HB ALA 88 8.620 -2.123 2.141 672 2HB ALA 88 2HB ALA 88 9.179 -3.523 1.226 673 3HB ALA 88 3HB ALA 88 9.672 -1.899 0.743 674 H MET 89 H MET 89 12.107 -1.691 0.636 675 HA MET 89 HA MET 89 13.279 -4.133 -0.242 676 1HB MET 89 1HB MET 89 14.852 -2.470 -1.491 677 2HB MET 89 2HB MET 89 13.175 -2.632 -1.978 678 1HG MET 89 1HG MET 89 12.943 -0.479 -1.775 679 2HG MET 89 2HG MET 89 13.235 -0.603 -0.042 680 1HE MET 89 1HE MET 89 17.268 -0.265 -0.208 681 2HE MET 89 2HE MET 89 16.359 -1.756 -0.448 682 3HE MET 89 3HE MET 89 15.930 -0.664 0.866 683 H GLU 90 H GLU 90 14.092 -1.772 2.137 684 HA GLU 90 HA GLU 90 16.866 -2.318 2.321 685 1HB GLU 90 1HB GLU 90 14.833 -1.055 4.114 686 2HB GLU 90 2HB GLU 90 16.387 -1.511 4.796 687 1HG GLU 90 1HG GLU 90 16.018 0.293 2.415 688 2HG GLU 90 2HG GLU 90 16.285 0.840 4.070 689 H LYS 91 H LYS 91 13.988 -3.755 3.685 690 HA LYS 91 HA LYS 91 15.448 -5.540 5.420 691 1HB LYS 91 1HB LYS 91 13.267 -4.783 6.121 692 2HB LYS 91 2HB LYS 91 12.533 -5.403 4.650 693 1HG LYS 91 1HG LYS 91 12.029 -6.889 6.455 694 2HG LYS 91 2HG LYS 91 13.150 -7.693 5.355 695 1HD LYS 91 1HD LYS 91 15.012 -7.036 6.868 696 2HD LYS 91 2HD LYS 91 13.815 -6.391 7.994 697 1HE LYS 91 1HE LYS 91 14.046 -9.252 7.070 698 2HE LYS 91 2HE LYS 91 14.495 -8.629 8.656 699 1HZ LYS 91 1HZ LYS 91 11.753 -8.630 7.514 700 2HZ LYS 91 2HZ LYS 91 12.183 -8.037 9.039 701 3HZ LYS 91 3HZ LYS 91 12.327 -9.689 8.703 702 H LEU 92 H LEU 92 14.152 -5.673 2.166 703 HA LEU 92 HA LEU 92 14.383 -8.556 2.056 704 1HB LEU 92 1HB LEU 92 12.652 -8.067 0.711 705 2HB LEU 92 2HB LEU 92 13.206 -6.430 0.420 706 HG LEU 92 HG LEU 92 14.874 -7.388 -1.201 707 1HD1 LEU 92 1HD1 LEU 92 13.151 -9.852 -0.982 708 2HD1 LEU 92 2HD1 LEU 92 14.775 -9.710 -0.313 709 3HD1 LEU 92 3HD1 LEU 92 14.528 -9.608 -2.056 710 1HD2 LEU 92 1HD2 LEU 92 12.514 -6.414 -1.667 711 2HD2 LEU 92 2HD2 LEU 92 12.095 -8.085 -2.050 712 3HD2 LEU 92 3HD2 LEU 92 13.370 -7.266 -2.950 713 H ALA 93 H ALA 93 16.138 -5.721 0.952 714 HA ALA 93 HA ALA 93 17.929 -6.878 -0.825 715 1HB ALA 93 1HB ALA 93 18.466 -4.645 1.132 716 2HB ALA 93 2HB ALA 93 17.766 -4.463 -0.478 717 3HB ALA 93 3HB ALA 93 19.429 -5.022 -0.296 718 H GLU 94 H GLU 94 17.777 -7.012 2.642 719 HA GLU 94 HA GLU 94 20.440 -8.049 2.991 720 1HB GLU 94 1HB GLU 94 19.291 -6.701 4.726 721 2HB GLU 94 2HB GLU 94 18.111 -7.989 4.918 722 1HG GLU 94 1HG GLU 94 19.744 -8.083 6.675 723 2HG GLU 94 2HG GLU 94 19.894 -9.502 5.640 724 H THR 95 H THR 95 17.267 -9.292 2.425 725 HA THR 95 HA THR 95 18.280 -12.050 2.728 726 HB THR 95 HB THR 95 15.902 -12.740 3.009 727 HG1 THR 95 HG1 THR 95 14.491 -11.264 2.452 728 1HG2 THR 95 1HG2 THR 95 15.660 -11.977 5.314 729 2HG2 THR 95 2HG2 THR 95 16.842 -10.701 5.028 730 3HG2 THR 95 3HG2 THR 95 17.339 -12.391 4.970 731 H GLY 96 H GLY 96 18.558 -10.278 0.469 732 1HA GLY 96 1HA GLY 96 16.717 -10.581 -1.561 733 2HA GLY 96 2HA GLY 96 18.442 -10.377 -1.806 734 H THR 97 H THR 97 15.923 -12.251 -2.569 735 HA THR 97 HA THR 97 17.637 -14.411 -3.452 736 HB THR 97 HB THR 97 15.230 -15.055 -1.738 737 HG1 THR 97 HG1 THR 97 17.377 -16.022 -0.622 738 1HG2 THR 97 1HG2 THR 97 15.646 -16.725 -3.447 739 2HG2 THR 97 2HG2 THR 97 16.115 -17.362 -1.871 740 3HG2 THR 97 3HG2 THR 97 17.349 -16.799 -2.996 741 H GLY 98 H GLY 98 17.026 -15.083 -5.417 742 1HA GLY 98 1HA GLY 98 15.798 -15.311 -7.339 743 2HA GLY 98 2HA GLY 98 14.392 -15.447 -6.296 744 H PHE 99 H PHE 99 13.227 -14.347 -7.966 745 HA PHE 99 HA PHE 99 13.784 -11.828 -8.987 746 1HB PHE 99 1HB PHE 99 12.050 -13.047 -10.013 747 2HB PHE 99 2HB PHE 99 11.208 -13.302 -8.490 748 HD1 PHE 99 HD1 PHE 99 9.585 -11.780 -7.729 749 HD2 PHE 99 HD2 PHE 99 12.052 -10.768 -11.046 750 HE1 PHE 99 HE1 PHE 99 8.147 -9.839 -8.201 751 HE2 PHE 99 HE2 PHE 99 10.620 -8.825 -11.523 752 HZ PHE 99 HZ PHE 99 8.665 -8.359 -10.100 753 H ALA 100 H ALA 100 12.375 -12.741 -5.912 754 HA ALA 100 HA ALA 100 11.184 -10.424 -5.055 755 1HB ALA 100 1HB ALA 100 11.642 -11.140 -2.795 756 2HB ALA 100 2HB ALA 100 12.920 -12.214 -3.360 757 3HB ALA 100 3HB ALA 100 11.242 -12.538 -3.789 758 H ARG 101 H ARG 101 14.636 -11.239 -4.827 759 HA ARG 101 HA ARG 101 15.494 -8.923 -3.511 760 1HB ARG 101 1HB ARG 101 16.873 -10.918 -3.748 761 2HB ARG 101 2HB ARG 101 16.943 -10.663 -5.484 762 1HG ARG 101 1HG ARG 101 18.239 -8.667 -5.210 763 2HG ARG 101 2HG ARG 101 18.040 -8.731 -3.456 764 1HD ARG 101 1HD ARG 101 19.249 -10.883 -3.437 765 2HD ARG 101 2HD ARG 101 19.509 -10.727 -5.173 766 HE ARG 101 HE ARG 101 20.519 -8.421 -4.092 767 1HH1 ARG 101 1HH1 ARG 101 21.097 -11.834 -3.672 768 2HH1 ARG 101 2HH1 ARG 101 22.759 -11.629 -3.233 769 1HH2 ARG 101 1HH2 ARG 101 22.708 -8.145 -3.514 770 2HH2 ARG 101 2HH2 ARG 101 23.674 -9.534 -3.141 771 H LYS 102 H LYS 102 15.731 -9.674 -6.987 772 HA LYS 102 HA LYS 102 16.782 -7.348 -7.942 773 1HB LYS 102 1HB LYS 102 16.247 -9.382 -9.281 774 2HB LYS 102 2HB LYS 102 14.559 -8.889 -9.286 775 1HG LYS 102 1HG LYS 102 15.529 -8.239 -11.361 776 2HG LYS 102 2HG LYS 102 15.242 -6.781 -10.410 777 1HD LYS 102 1HD LYS 102 17.403 -6.592 -11.420 778 2HD LYS 102 2HD LYS 102 17.634 -6.867 -9.693 779 1HE LYS 102 1HE LYS 102 19.193 -8.210 -10.986 780 2HE LYS 102 2HE LYS 102 18.043 -9.244 -10.137 781 1HZ LYS 102 1HZ LYS 102 18.359 -10.001 -12.392 782 2HZ LYS 102 2HZ LYS 102 17.923 -8.486 -13.006 783 3HZ LYS 102 3HZ LYS 102 16.776 -9.434 -12.202 784 H VAL 103 H VAL 103 13.619 -7.834 -6.668 785 HA VAL 103 HA VAL 103 12.325 -5.594 -7.817 786 HB VAL 103 HB VAL 103 11.788 -7.244 -5.359 787 1HG1 VAL 103 1HG1 VAL 103 10.921 -5.036 -4.876 788 2HG1 VAL 103 2HG1 VAL 103 9.578 -6.117 -5.243 789 3HG1 VAL 103 3HG1 VAL 103 10.136 -4.962 -6.453 790 1HG2 VAL 103 1HG2 VAL 103 10.528 -7.059 -8.087 791 2HG2 VAL 103 2HG2 VAL 103 9.799 -7.929 -6.737 792 3HG2 VAL 103 3HG2 VAL 103 11.366 -8.434 -7.368 793 H ALA 104 H ALA 104 13.759 -6.100 -4.594 794 HA ALA 104 HA ALA 104 13.317 -3.614 -3.479 795 1HB ALA 104 1HB ALA 104 15.375 -5.732 -3.093 796 2HB ALA 104 2HB ALA 104 14.128 -5.153 -1.987 797 3HB ALA 104 3HB ALA 104 15.573 -4.184 -2.272 798 H VAL 105 H VAL 105 16.355 -4.669 -4.890 799 HA VAL 105 HA VAL 105 17.761 -2.321 -4.833 800 HB VAL 105 HB VAL 105 18.012 -4.426 -6.978 801 1HG1 VAL 105 1HG1 VAL 105 19.277 -2.415 -7.472 802 2HG1 VAL 105 2HG1 VAL 105 20.369 -3.725 -7.024 803 3HG1 VAL 105 3HG1 VAL 105 20.000 -2.449 -5.865 804 1HG2 VAL 105 1HG2 VAL 105 19.651 -5.481 -5.479 805 2HG2 VAL 105 2HG2 VAL 105 18.030 -5.462 -4.783 806 3HG2 VAL 105 3HG2 VAL 105 19.244 -4.309 -4.225 807 H ASN 106 H ASN 106 16.212 -3.603 -7.805 808 HA ASN 106 HA ASN 106 16.705 -1.379 -9.394 809 1HB ASN 106 1HB ASN 106 14.495 -3.422 -9.532 810 2HB ASN 106 2HB ASN 106 14.734 -2.187 -10.763 811 1HD2 ASN 106 1HD2 ASN 106 14.812 -4.881 -11.327 812 2HD2 ASN 106 2HD2 ASN 106 16.419 -5.319 -11.783 813 H TYR 107 H TYR 107 14.095 -1.907 -7.100 814 HA TYR 107 HA TYR 107 12.334 0.066 -8.002 815 1HB TYR 107 1HB TYR 107 11.473 -1.483 -6.482 816 2HB TYR 107 2HB TYR 107 12.826 -1.295 -5.379 817 HD1 TYR 107 HD1 TYR 107 12.357 -0.299 -3.434 818 HD2 TYR 107 HD2 TYR 107 10.186 0.912 -6.866 819 HE1 TYR 107 HE1 TYR 107 11.084 1.294 -2.051 820 HE2 TYR 107 HE2 TYR 107 8.902 2.508 -5.511 821 HH TYR 107 HH TYR 107 8.270 2.849 -3.173 822 H LEU 108 H LEU 108 15.273 0.237 -6.164 823 HA LEU 108 HA LEU 108 14.960 2.755 -4.968 824 1HB LEU 108 1HB LEU 108 17.276 1.036 -5.709 825 2HB LEU 108 2HB LEU 108 17.588 2.697 -5.260 826 HG LEU 108 HG LEU 108 16.073 0.771 -3.509 827 1HD1 LEU 108 1HD1 LEU 108 19.000 1.496 -3.475 828 2HD1 LEU 108 2HD1 LEU 108 18.309 -0.092 -3.814 829 3HD1 LEU 108 3HD1 LEU 108 18.157 0.609 -2.203 830 1HD2 LEU 108 1HD2 LEU 108 15.656 3.150 -3.101 831 2HD2 LEU 108 2HD2 LEU 108 17.389 3.422 -2.926 832 3HD2 LEU 108 3HD2 LEU 108 16.535 2.405 -1.767 833 H GLU 109 H GLU 109 15.320 1.925 -8.235 834 HA GLU 109 HA GLU 109 16.668 4.322 -9.074 835 1HB GLU 109 1HB GLU 109 15.231 2.158 -10.610 836 2HB GLU 109 2HB GLU 109 16.055 3.512 -11.372 837 1HG GLU 109 1HG GLU 109 18.167 2.797 -10.501 838 2HG GLU 109 2HG GLU 109 17.394 1.535 -9.542 839 H THR 110 H THR 110 13.731 4.032 -7.793 840 HA THR 110 HA THR 110 12.719 6.326 -9.286 841 HB THR 110 HB THR 110 10.418 5.319 -9.366 842 HG1 THR 110 HG1 THR 110 11.227 2.747 -9.426 843 1HG2 THR 110 1HG2 THR 110 11.884 5.450 -11.355 844 2HG2 THR 110 2HG2 THR 110 10.812 4.052 -11.396 845 3HG2 THR 110 3HG2 THR 110 12.511 3.847 -10.971 846 H HIS 111 H HIS 111 12.508 4.206 -6.495 847 HA HIS 111 HA HIS 111 11.787 4.521 -4.360 848 1HB HIS 111 1HB HIS 111 12.229 7.435 -5.047 849 2HB HIS 111 2HB HIS 111 11.962 6.811 -3.422 850 HD1 HIS 111 HD1 HIS 111 14.604 7.867 -5.507 851 HD2 HIS 111 HD2 HIS 111 14.101 4.689 -2.878 852 HE1 HIS 111 HE1 HIS 111 16.929 7.112 -4.913 853 HE2 HIS 111 HE2 HIS 111 16.598 5.144 -3.376 Start of MODEL 37 1 H MET 1 H MET 1 -21.644 9.530 16.760 2 HA MET 1 HA MET 1 -23.231 7.741 16.739 3 1HB MET 1 1HB MET 1 -23.965 8.716 19.507 4 2HB MET 1 2HB MET 1 -24.766 7.430 18.614 5 1HG MET 1 1HG MET 1 -22.680 6.128 18.663 6 2HG MET 1 2HG MET 1 -21.928 7.404 19.617 7 1HE MET 1 1HE MET 1 -25.452 4.810 21.087 8 2HE MET 1 2HE MET 1 -24.655 4.587 19.530 9 3HE MET 1 3HE MET 1 -25.618 6.034 19.829 10 H ALA 2 H ALA 2 -22.994 11.019 17.075 11 HA ALA 2 HA ALA 2 -25.643 11.395 15.867 12 1HB ALA 2 1HB ALA 2 -24.517 13.203 18.000 13 2HB ALA 2 2HB ALA 2 -25.801 12.020 18.242 14 3HB ALA 2 3HB ALA 2 -26.059 13.393 17.165 15 H ASP 3 H ASP 3 -22.822 13.402 16.765 16 HA ASP 3 HA ASP 3 -22.748 14.341 13.971 17 1HB ASP 3 1HB ASP 3 -21.744 16.439 14.859 18 2HB ASP 3 2HB ASP 3 -23.386 16.162 15.433 19 H GLU 4 H GLU 4 -21.080 12.767 16.472 20 HA GLU 4 HA GLU 4 -18.431 13.313 15.426 21 1HB GLU 4 1HB GLU 4 -18.784 13.072 17.853 22 2HB GLU 4 2HB GLU 4 -19.321 11.416 17.606 23 1HG GLU 4 1HG GLU 4 -17.046 11.425 18.376 24 2HG GLU 4 2HG GLU 4 -17.103 10.853 16.709 25 H ASN 5 H ASN 5 -17.619 12.252 13.766 26 HA ASN 5 HA ASN 5 -17.120 10.630 12.258 27 1HB ASN 5 1HB ASN 5 -18.177 8.684 14.318 28 2HB ASN 5 2HB ASN 5 -17.098 8.318 12.976 29 1HD2 ASN 5 1HD2 ASN 5 -15.561 10.774 13.327 30 2HD2 ASN 5 2HD2 ASN 5 -14.575 10.523 14.724 31 H LYS 6 H LYS 6 -18.080 8.985 10.813 32 HA LYS 6 HA LYS 6 -20.870 8.452 10.874 33 1HB LYS 6 1HB LYS 6 -20.975 10.834 10.272 34 2HB LYS 6 2HB LYS 6 -19.932 10.532 8.890 35 1HG LYS 6 1HG LYS 6 -22.215 10.701 8.159 36 2HG LYS 6 2HG LYS 6 -21.654 9.041 7.950 37 1HD LYS 6 1HD LYS 6 -22.768 8.419 10.054 38 2HD LYS 6 2HD LYS 6 -23.354 10.076 10.218 39 1HE LYS 6 1HE LYS 6 -24.581 9.847 8.113 40 2HE LYS 6 2HE LYS 6 -24.000 8.188 7.956 41 1HZ LYS 6 1HZ LYS 6 -25.173 7.609 9.974 42 2HZ LYS 6 2HZ LYS 6 -26.248 8.290 8.859 43 3HZ LYS 6 3HZ LYS 6 -25.698 9.205 10.171 44 H TRP 7 H TRP 7 -17.825 8.539 9.192 45 HA TRP 7 HA TRP 7 -18.651 6.145 7.694 46 1HB TRP 7 1HB TRP 7 -16.925 8.408 6.666 47 2HB TRP 7 2HB TRP 7 -17.197 6.888 5.823 48 HD1 TRP 7 HD1 TRP 7 -18.827 10.230 6.554 49 HE1 TRP 7 HE1 TRP 7 -20.988 10.432 5.172 50 HE3 TRP 7 HE3 TRP 7 -19.128 5.431 4.808 51 HZ2 TRP 7 HZ2 TRP 7 -22.611 8.775 3.559 52 HZ3 TRP 7 HZ3 TRP 7 -21.020 4.822 3.355 53 HH2 TRP 7 HH2 TRP 7 -22.723 6.462 2.744 54 H VAL 8 H VAL 8 -17.720 4.937 9.412 55 HA VAL 8 HA VAL 8 -14.821 4.637 9.132 56 HB VAL 8 HB VAL 8 -16.239 4.900 11.791 57 1HG1 VAL 8 1HG1 VAL 8 -13.986 4.540 12.774 58 2HG1 VAL 8 2HG1 VAL 8 -13.402 4.094 11.170 59 3HG1 VAL 8 3HG1 VAL 8 -14.639 3.118 11.960 60 1HG2 VAL 8 1HG2 VAL 8 -15.730 7.043 10.754 61 2HG2 VAL 8 2HG2 VAL 8 -14.051 6.553 10.532 62 3HG2 VAL 8 3HG2 VAL 8 -14.698 6.772 12.158 63 H ARG 9 H ARG 9 -17.303 3.293 11.305 64 HA ARG 9 HA ARG 9 -16.505 0.610 10.435 65 1HB ARG 9 1HB ARG 9 -17.549 -0.200 12.479 66 2HB ARG 9 2HB ARG 9 -16.406 1.080 12.854 67 1HG ARG 9 1HG ARG 9 -18.377 2.659 12.906 68 2HG ARG 9 2HG ARG 9 -19.407 1.226 12.838 69 1HD ARG 9 1HD ARG 9 -17.383 1.916 14.963 70 2HD ARG 9 2HD ARG 9 -19.138 1.885 15.138 71 HE ARG 9 HE ARG 9 -18.483 -0.642 14.341 72 1HH1 ARG 9 1HH1 ARG 9 -17.530 1.429 16.979 73 2HH1 ARG 9 2HH1 ARG 9 -17.208 0.116 18.060 74 1HH2 ARG 9 1HH2 ARG 9 -18.061 -2.372 15.755 75 2HH2 ARG 9 2HH2 ARG 9 -17.510 -2.045 17.364 76 H ARG 10 H ARG 10 -18.983 2.885 10.069 77 HA ARG 10 HA ARG 10 -21.173 1.129 9.683 78 1HB ARG 10 1HB ARG 10 -20.587 3.937 8.755 79 2HB ARG 10 2HB ARG 10 -22.049 3.095 8.262 80 1HG ARG 10 1HG ARG 10 -22.589 4.473 10.120 81 2HG ARG 10 2HG ARG 10 -22.610 2.798 10.670 82 1HD ARG 10 1HD ARG 10 -20.333 3.103 11.578 83 2HD ARG 10 2HD ARG 10 -20.386 4.795 11.083 84 HE ARG 10 HE ARG 10 -22.620 4.283 12.679 85 1HH1 ARG 10 1HH1 ARG 10 -19.149 4.424 12.984 86 2HH1 ARG 10 2HH1 ARG 10 -19.189 4.918 14.643 87 1HH2 ARG 10 1HH2 ARG 10 -22.679 4.933 14.857 88 2HH2 ARG 10 2HH2 ARG 10 -21.196 5.208 15.707 89 H ASP 11 H ASP 11 -21.250 -0.416 8.196 90 HA ASP 11 HA ASP 11 -21.204 -1.459 6.166 91 1HB ASP 11 1HB ASP 11 -21.852 0.830 5.287 92 2HB ASP 11 2HB ASP 11 -20.139 1.101 4.982 93 H VAL 12 H VAL 12 -18.756 -0.736 7.991 94 HA VAL 12 HA VAL 12 -16.415 -0.814 6.485 95 HB VAL 12 HB VAL 12 -16.621 -0.420 8.978 96 1HG1 VAL 12 1HG1 VAL 12 -16.637 -3.433 9.055 97 2HG1 VAL 12 2HG1 VAL 12 -17.960 -2.371 9.536 98 3HG1 VAL 12 3HG1 VAL 12 -16.450 -2.368 10.447 99 1HG2 VAL 12 1HG2 VAL 12 -14.460 -0.643 7.847 100 2HG2 VAL 12 2HG2 VAL 12 -14.516 -2.388 8.091 101 3HG2 VAL 12 3HG2 VAL 12 -14.412 -1.307 9.480 102 H SER 13 H SER 13 -14.842 -2.718 6.496 103 HA SER 13 HA SER 13 -14.255 -4.814 5.850 104 1HB SER 13 1HB SER 13 -15.582 -5.548 7.815 105 2HB SER 13 2HB SER 13 -17.013 -5.634 6.790 106 HG SER 13 HG SER 13 -14.891 -7.367 7.002 107 H THR 14 H THR 14 -16.262 -2.906 4.337 108 HA THR 14 HA THR 14 -16.384 -4.603 1.969 109 HB THR 14 HB THR 14 -18.825 -3.104 2.946 110 HG1 THR 14 HG1 THR 14 -18.178 -5.142 4.086 111 1HG2 THR 14 1HG2 THR 14 -18.411 -4.983 0.616 112 2HG2 THR 14 2HG2 THR 14 -18.697 -3.245 0.521 113 3HG2 THR 14 3HG2 THR 14 -19.962 -4.315 1.123 114 H ALA 15 H ALA 15 -16.301 -1.541 3.532 115 HA ALA 15 HA ALA 15 -16.623 0.102 1.222 116 1HB ALA 15 1HB ALA 15 -17.079 0.919 3.484 117 2HB ALA 15 2HB ALA 15 -15.884 1.920 2.657 118 3HB ALA 15 3HB ALA 15 -15.368 0.759 3.882 119 H LEU 16 H LEU 16 -14.206 -1.985 2.026 120 HA LEU 16 HA LEU 16 -11.882 -0.477 1.459 121 1HB LEU 16 1HB LEU 16 -10.878 -2.761 0.996 122 2HB LEU 16 2HB LEU 16 -11.543 -2.494 2.595 123 HG LEU 16 HG LEU 16 -13.682 -3.615 1.627 124 1HD1 LEU 16 1HD1 LEU 16 -13.049 -3.668 -0.689 125 2HD1 LEU 16 2HD1 LEU 16 -13.152 -5.321 -0.085 126 3HD1 LEU 16 3HD1 LEU 16 -11.576 -4.559 -0.309 127 1HD2 LEU 16 1HD2 LEU 16 -12.292 -4.561 3.393 128 2HD2 LEU 16 2HD2 LEU 16 -11.185 -5.210 2.183 129 3HD2 LEU 16 3HD2 LEU 16 -12.841 -5.810 2.276 130 H SER 17 H SER 17 -14.395 -1.553 -0.527 131 HA SER 17 HA SER 17 -12.854 -1.857 -2.941 132 1HB SER 17 1HB SER 17 -14.983 -3.073 -2.615 133 2HB SER 17 2HB SER 17 -15.846 -1.536 -2.575 134 HG SER 17 HG SER 17 -15.730 -1.423 -4.675 135 H ARG 18 H ARG 18 -13.703 0.754 -1.117 136 HA ARG 18 HA ARG 18 -13.213 2.589 -3.322 137 1HB ARG 18 1HB ARG 18 -15.727 2.268 -3.066 138 2HB ARG 18 2HB ARG 18 -15.566 3.031 -1.487 139 1HG ARG 18 1HG ARG 18 -14.634 5.032 -2.584 140 2HG ARG 18 2HG ARG 18 -14.908 4.268 -4.153 141 1HD ARG 18 1HD ARG 18 -16.739 5.739 -3.728 142 2HD ARG 18 2HD ARG 18 -17.324 4.085 -3.553 143 HE ARG 18 HE ARG 18 -16.475 5.288 -1.082 144 1HH1 ARG 18 1HH1 ARG 18 -19.123 4.863 -3.306 145 2HH1 ARG 18 2HH1 ARG 18 -20.342 5.154 -2.111 146 1HH2 ARG 18 1HH2 ARG 18 -18.073 5.672 0.499 147 2HH2 ARG 18 2HH2 ARG 18 -19.746 5.613 0.052 148 H MET 19 H MET 19 -14.352 2.727 0.041 149 HA MET 19 HA MET 19 -12.991 4.991 0.837 150 1HB MET 19 1HB MET 19 -14.705 4.100 2.222 151 2HB MET 19 2HB MET 19 -13.878 2.558 2.376 152 1HG MET 19 1HG MET 19 -12.314 3.400 3.861 153 2HG MET 19 2HG MET 19 -12.635 5.073 3.397 154 1HE MET 19 1HE MET 19 -14.707 6.412 4.045 155 2HE MET 19 2HE MET 19 -15.987 5.873 5.129 156 3HE MET 19 3HE MET 19 -15.879 5.214 3.497 157 H GLY 20 H GLY 20 -11.904 1.614 0.936 158 1HA GLY 20 1HA GLY 20 -9.849 0.698 1.460 159 2HA GLY 20 2HA GLY 20 -9.291 1.921 0.333 160 H ASP 21 H ASP 21 -10.660 2.426 3.565 161 HA ASP 21 HA ASP 21 -8.013 3.171 4.563 162 1HB ASP 21 1HB ASP 21 -9.347 5.193 3.619 163 2HB ASP 21 2HB ASP 21 -10.350 5.005 5.058 164 H GLU 22 H GLU 22 -11.337 3.608 5.733 165 HA GLU 22 HA GLU 22 -10.702 2.684 8.336 166 1HB GLU 22 1HB GLU 22 -13.437 2.898 7.066 167 2HB GLU 22 2HB GLU 22 -13.074 2.870 8.787 168 1HG GLU 22 1HG GLU 22 -12.301 5.032 6.836 169 2HG GLU 22 2HG GLU 22 -13.586 5.121 8.038 170 H ALA 23 H ALA 23 -11.383 1.101 5.414 171 HA ALA 23 HA ALA 23 -12.070 -1.406 6.788 172 1HB ALA 23 1HB ALA 23 -12.335 -0.675 3.873 173 2HB ALA 23 2HB ALA 23 -13.644 -0.754 5.053 174 3HB ALA 23 3HB ALA 23 -12.787 -2.223 4.588 175 H PHE 24 H PHE 24 -9.371 0.088 6.093 176 HA PHE 24 HA PHE 24 -7.909 -1.616 4.409 177 1HB PHE 24 1HB PHE 24 -7.305 0.742 5.227 178 2HB PHE 24 2HB PHE 24 -6.706 -0.053 6.682 179 HD1 PHE 24 HD1 PHE 24 -4.898 -1.775 6.458 180 HD2 PHE 24 HD2 PHE 24 -6.047 0.784 3.264 181 HE1 PHE 24 HE1 PHE 24 -2.787 -2.265 5.310 182 HE2 PHE 24 HE2 PHE 24 -3.938 0.299 2.113 183 HZ PHE 24 HZ PHE 24 -2.298 -1.228 3.132 184 H GLU 25 H GLU 25 -8.547 -1.617 7.855 185 HA GLU 25 HA GLU 25 -6.710 -3.620 8.551 186 1HB GLU 25 1HB GLU 25 -9.266 -2.746 9.862 187 2HB GLU 25 2HB GLU 25 -8.235 -4.015 10.498 188 1HG GLU 25 1HG GLU 25 -7.715 -1.982 11.636 189 2HG GLU 25 2HG GLU 25 -6.364 -2.392 10.582 190 HA PRO 26 HA PRO 26 -10.373 -6.840 8.213 191 1HB PRO 26 1HB PRO 26 -12.250 -6.078 6.302 192 2HB PRO 26 2HB PRO 26 -12.500 -6.036 8.049 193 1HG PRO 26 1HG PRO 26 -11.777 -3.831 6.181 194 2HG PRO 26 2HG PRO 26 -12.814 -3.794 7.616 195 1HD PRO 26 1HD PRO 26 -10.310 -2.810 7.648 196 2HD PRO 26 2HD PRO 26 -11.017 -3.611 9.065 197 H LEU 27 H LEU 27 -8.942 -4.806 5.933 198 HA LEU 27 HA LEU 27 -8.897 -6.680 3.732 199 1HB LEU 27 1HB LEU 27 -8.947 -4.579 2.857 200 2HB LEU 27 2HB LEU 27 -8.204 -3.870 4.285 201 HG LEU 27 HG LEU 27 -6.008 -4.821 3.459 202 1HD1 LEU 27 1HD1 LEU 27 -6.910 -6.464 1.899 203 2HD1 LEU 27 2HD1 LEU 27 -5.845 -5.323 1.075 204 3HD1 LEU 27 3HD1 LEU 27 -7.596 -5.166 0.919 205 1HD2 LEU 27 1HD2 LEU 27 -5.676 -2.998 1.840 206 2HD2 LEU 27 2HD2 LEU 27 -6.529 -2.466 3.288 207 3HD2 LEU 27 3HD2 LEU 27 -7.421 -2.745 1.792 208 H LEU 28 H LEU 28 -6.841 -5.372 6.233 209 HA LEU 28 HA LEU 28 -4.429 -6.682 5.415 210 1HB LEU 28 1HB LEU 28 -4.521 -4.551 6.692 211 2HB LEU 28 2HB LEU 28 -5.194 -5.418 8.054 212 HG LEU 28 HG LEU 28 -2.732 -4.815 8.153 213 1HD1 LEU 28 1HD1 LEU 28 -3.323 -7.741 8.489 214 2HD1 LEU 28 2HD1 LEU 28 -3.889 -6.494 9.598 215 3HD1 LEU 28 3HD1 LEU 28 -2.159 -6.760 9.377 216 1HD2 LEU 28 1HD2 LEU 28 -1.163 -6.259 7.028 217 2HD2 LEU 28 2HD2 LEU 28 -2.197 -5.472 5.836 218 3HD2 LEU 28 3HD2 LEU 28 -2.481 -7.157 6.274 219 H GLU 29 H GLU 29 -7.106 -7.357 7.523 220 HA GLU 29 HA GLU 29 -5.933 -9.508 8.949 221 1HB GLU 29 1HB GLU 29 -8.829 -8.786 8.485 222 2HB GLU 29 2HB GLU 29 -8.275 -10.011 9.617 223 1HG GLU 29 1HG GLU 29 -7.606 -7.079 9.739 224 2HG GLU 29 2HG GLU 29 -8.808 -7.906 10.729 225 H SER 30 H SER 30 -7.126 -9.148 5.807 226 HA SER 30 HA SER 30 -8.202 -11.709 5.311 227 1HB SER 30 1HB SER 30 -6.981 -9.701 3.407 228 2HB SER 30 2HB SER 30 -7.913 -11.117 2.919 229 HG SER 30 HG SER 30 -9.201 -9.224 3.027 230 H LEU 31 H LEU 31 -4.956 -10.385 4.582 231 HA LEU 31 HA LEU 31 -3.935 -12.733 3.444 232 1HB LEU 31 1HB LEU 31 -1.680 -11.750 4.077 233 2HB LEU 31 2HB LEU 31 -2.708 -10.792 3.031 234 HG LEU 31 HG LEU 31 -3.432 -9.558 5.158 235 1HD1 LEU 31 1HD1 LEU 31 -2.593 -11.096 6.811 236 2HD1 LEU 31 2HD1 LEU 31 -1.739 -9.561 6.956 237 3HD1 LEU 31 3HD1 LEU 31 -0.954 -10.935 6.178 238 1HD2 LEU 31 1HD2 LEU 31 -1.469 -8.090 5.055 239 2HD2 LEU 31 2HD2 LEU 31 -2.027 -8.561 3.451 240 3HD2 LEU 31 3HD2 LEU 31 -0.602 -9.328 4.149 241 H SER 32 H SER 32 -4.888 -12.238 6.592 242 HA SER 32 HA SER 32 -2.913 -13.999 7.795 243 1HB SER 32 1HB SER 32 -5.370 -12.686 8.985 244 2HB SER 32 2HB SER 32 -4.158 -13.592 9.890 245 HG SER 32 HG SER 32 -2.703 -11.921 8.708 246 H ASN 33 H ASN 33 -4.959 -14.791 5.688 247 HA ASN 33 HA ASN 33 -6.364 -16.912 7.158 248 1HB ASN 33 1HB ASN 33 -6.833 -15.650 4.461 249 2HB ASN 33 2HB ASN 33 -7.606 -17.161 4.930 250 1HD2 ASN 33 1HD2 ASN 33 -7.925 -16.469 7.689 251 2HD2 ASN 33 2HD2 ASN 33 -9.172 -15.278 7.771 252 H GLU 34 H GLU 34 -6.277 -19.070 6.430 253 HA GLU 34 HA GLU 34 -3.745 -19.918 5.493 254 1HB GLU 34 1HB GLU 34 -4.747 -22.180 5.494 255 2HB GLU 34 2HB GLU 34 -5.049 -21.314 6.994 256 1HG GLU 34 1HG GLU 34 -7.308 -20.773 6.217 257 2HG GLU 34 2HG GLU 34 -7.000 -21.665 4.727 258 H ASP 35 H ASP 35 -6.465 -18.779 3.866 259 HA ASP 35 HA ASP 35 -6.229 -20.346 1.478 260 1HB ASP 35 1HB ASP 35 -7.613 -17.691 1.923 261 2HB ASP 35 2HB ASP 35 -7.815 -18.732 0.517 262 H TRP 36 H TRP 36 -5.525 -19.590 -0.582 263 HA TRP 36 HA TRP 36 -3.313 -17.672 -0.371 264 1HB TRP 36 1HB TRP 36 -3.877 -19.788 -2.459 265 2HB TRP 36 2HB TRP 36 -2.473 -18.725 -2.445 266 HD1 TRP 36 HD1 TRP 36 -3.731 -21.971 -1.060 267 HE1 TRP 36 HE1 TRP 36 -1.958 -22.994 0.502 268 HE3 TRP 36 HE3 TRP 36 -0.581 -17.963 -0.656 269 HZ2 TRP 36 HZ2 TRP 36 0.446 -22.214 1.740 270 HZ3 TRP 36 HZ3 TRP 36 1.435 -18.186 0.741 271 HH2 TRP 36 HH2 TRP 36 1.933 -20.271 1.911 272 H ARG 37 H ARG 37 -6.276 -18.354 -2.109 273 HA ARG 37 HA ARG 37 -5.992 -16.477 -4.178 274 1HB ARG 37 1HB ARG 37 -8.464 -16.602 -4.359 275 2HB ARG 37 2HB ARG 37 -7.693 -18.181 -4.301 276 1HG ARG 37 1HG ARG 37 -8.323 -18.456 -1.993 277 2HG ARG 37 2HG ARG 37 -8.978 -16.819 -1.944 278 1HD ARG 37 1HD ARG 37 -10.653 -17.431 -3.608 279 2HD ARG 37 2HD ARG 37 -9.987 -19.062 -3.690 280 HE ARG 37 HE ARG 37 -10.601 -18.698 -1.052 281 1HH1 ARG 37 1HH1 ARG 37 -12.367 -18.511 -4.051 282 2HH1 ARG 37 2HH1 ARG 37 -13.878 -18.967 -3.338 283 1HH2 ARG 37 1HH2 ARG 37 -12.587 -19.298 -0.106 284 2HH2 ARG 37 2HH2 ARG 37 -14.002 -19.413 -1.096 285 H ILE 38 H ILE 38 -7.255 -16.163 -0.891 286 HA ILE 38 HA ILE 38 -7.992 -13.394 -1.281 287 HB ILE 38 HB ILE 38 -7.788 -14.897 1.331 288 1HG1 ILE 38 1HG1 ILE 38 -10.229 -14.542 -0.420 289 2HG1 ILE 38 2HG1 ILE 38 -9.282 -16.024 -0.333 290 1HG2 ILE 38 1HG2 ILE 38 -7.893 -12.456 1.521 291 2HG2 ILE 38 2HG2 ILE 38 -9.356 -13.219 2.145 292 3HG2 ILE 38 3HG2 ILE 38 -9.371 -12.448 0.559 293 1HD1 ILE 38 1HD1 ILE 38 -11.279 -16.170 1.035 294 2HD1 ILE 38 2HD1 ILE 38 -10.774 -14.747 1.946 295 3HD1 ILE 38 3HD1 ILE 38 -9.827 -16.233 2.034 296 H ARG 39 H ARG 39 -5.328 -15.226 0.026 297 HA ARG 39 HA ARG 39 -4.005 -13.263 1.499 298 1HB ARG 39 1HB ARG 39 -3.472 -15.896 0.524 299 2HB ARG 39 2HB ARG 39 -2.069 -14.888 0.197 300 1HG ARG 39 1HG ARG 39 -3.261 -14.730 2.904 301 2HG ARG 39 2HG ARG 39 -2.384 -16.200 2.476 302 1HD ARG 39 1HD ARG 39 -0.472 -14.744 1.767 303 2HD ARG 39 2HD ARG 39 -1.347 -13.370 2.444 304 HE ARG 39 HE ARG 39 -1.198 -15.307 4.427 305 1HH1 ARG 39 1HH1 ARG 39 0.991 -13.305 2.596 306 2HH1 ARG 39 2HH1 ARG 39 2.186 -13.248 3.849 307 1HH2 ARG 39 1HH2 ARG 39 0.367 -15.235 6.077 308 2HH2 ARG 39 2HH2 ARG 39 1.832 -14.344 5.827 309 H GLY 40 H GLY 40 -3.931 -13.979 -1.958 310 1HA GLY 40 1HA GLY 40 -1.805 -12.159 -2.551 311 2HA GLY 40 2HA GLY 40 -2.874 -12.924 -3.715 312 H ALA 41 H ALA 41 -5.307 -12.010 -3.197 313 HA ALA 41 HA ALA 41 -5.456 -9.521 -4.341 314 1HB ALA 41 1HB ALA 41 -7.778 -9.461 -3.631 315 2HB ALA 41 2HB ALA 41 -7.465 -10.731 -2.447 316 3HB ALA 41 3HB ALA 41 -7.337 -11.082 -4.170 317 H ALA 42 H ALA 42 -5.318 -10.314 -0.900 318 HA ALA 42 HA ALA 42 -5.860 -7.727 0.080 319 1HB ALA 42 1HB ALA 42 -5.088 -8.514 2.193 320 2HB ALA 42 2HB ALA 42 -4.171 -9.818 1.440 321 3HB ALA 42 3HB ALA 42 -5.935 -9.848 1.408 322 H ALA 43 H ALA 43 -2.923 -9.278 -1.014 323 HA ALA 43 HA ALA 43 -1.196 -7.135 -0.095 324 1HB ALA 43 1HB ALA 43 0.577 -8.440 -1.170 325 2HB ALA 43 2HB ALA 43 -0.635 -9.549 -1.814 326 3HB ALA 43 3HB ALA 43 -0.391 -9.424 -0.072 327 H TRP 44 H TRP 44 -2.833 -8.116 -3.001 328 HA TRP 44 HA TRP 44 -1.296 -6.630 -4.859 329 1HB TRP 44 1HB TRP 44 -3.778 -8.205 -4.877 330 2HB TRP 44 2HB TRP 44 -3.712 -6.925 -6.080 331 HD1 TRP 44 HD1 TRP 44 -1.495 -9.887 -4.916 332 HE1 TRP 44 HE1 TRP 44 -0.299 -10.839 -6.986 333 HE3 TRP 44 HE3 TRP 44 -3.179 -6.572 -8.426 334 HZ2 TRP 44 HZ2 TRP 44 -0.098 -10.265 -9.741 335 HZ3 TRP 44 HZ3 TRP 44 -2.439 -6.844 -10.754 336 HH2 TRP 44 HH2 TRP 44 -0.929 -8.651 -11.399 337 H ILE 45 H ILE 45 -4.042 -5.834 -2.834 338 HA ILE 45 HA ILE 45 -4.358 -3.254 -4.190 339 HB ILE 45 HB ILE 45 -6.093 -4.351 -1.981 340 1HG1 ILE 45 1HG1 ILE 45 -6.561 -4.552 -4.965 341 2HG1 ILE 45 2HG1 ILE 45 -6.014 -5.886 -3.955 342 1HG2 ILE 45 1HG2 ILE 45 -6.285 -1.962 -2.330 343 2HG2 ILE 45 2HG2 ILE 45 -7.742 -2.769 -2.907 344 3HG2 ILE 45 3HG2 ILE 45 -6.529 -2.207 -4.058 345 1HD1 ILE 45 1HD1 ILE 45 -8.402 -6.012 -4.408 346 2HD1 ILE 45 2HD1 ILE 45 -8.631 -4.429 -3.665 347 3HD1 ILE 45 3HD1 ILE 45 -8.084 -5.792 -2.688 348 H ILE 46 H ILE 46 -3.030 -4.688 -1.400 349 HA ILE 46 HA ILE 46 -3.227 -2.763 0.553 350 HB ILE 46 HB ILE 46 -1.971 -5.122 0.419 351 1HG1 ILE 46 1HG1 ILE 46 -0.686 -3.588 2.500 352 2HG1 ILE 46 2HG1 ILE 46 -2.374 -3.110 2.328 353 1HG2 ILE 46 1HG2 ILE 46 -0.107 -4.222 -0.917 354 2HG2 ILE 46 2HG2 ILE 46 0.423 -4.888 0.627 355 3HG2 ILE 46 3HG2 ILE 46 0.300 -3.142 0.416 356 1HD1 ILE 46 1HD1 ILE 46 -3.018 -5.488 2.535 357 2HD1 ILE 46 2HD1 ILE 46 -2.213 -4.842 3.966 358 3HD1 ILE 46 3HD1 ILE 46 -1.326 -5.878 2.847 359 H GLY 47 H GLY 47 -1.331 -2.665 -2.369 360 1HA GLY 47 1HA GLY 47 0.234 -0.390 -1.408 361 2HA GLY 47 2HA GLY 47 0.459 -1.232 -2.931 362 H ASN 48 H ASN 48 -2.548 -1.016 -3.363 363 HA ASN 48 HA ASN 48 -2.448 1.361 -4.916 364 1HB ASN 48 1HB ASN 48 -4.685 -0.540 -4.233 365 2HB ASN 48 2HB ASN 48 -4.925 0.871 -5.259 366 1HD2 ASN 48 1HD2 ASN 48 -3.388 -2.238 -4.968 367 2HD2 ASN 48 2HD2 ASN 48 -3.008 -2.428 -6.643 368 H PHE 49 H PHE 49 -3.093 0.865 -1.633 369 HA PHE 49 HA PHE 49 -4.737 3.284 -1.466 370 1HB PHE 49 1HB PHE 49 -4.154 1.168 0.602 371 2HB PHE 49 2HB PHE 49 -5.122 2.605 0.901 372 HD1 PHE 49 HD1 PHE 49 -5.846 -0.400 1.120 373 HD2 PHE 49 HD2 PHE 49 -6.512 2.555 -1.870 374 HE1 PHE 49 HE1 PHE 49 -7.851 -1.613 0.378 375 HE2 PHE 49 HE2 PHE 49 -8.518 1.343 -2.622 376 HZ PHE 49 HZ PHE 49 -9.189 -0.744 -1.499 377 H GLN 50 H GLN 50 -1.685 1.943 -0.391 378 HA GLN 50 HA GLN 50 0.219 2.949 0.327 379 1HB GLN 50 1HB GLN 50 -1.003 4.924 -1.233 380 2HB GLN 50 2HB GLN 50 -0.577 5.735 0.267 381 1HG GLN 50 1HG GLN 50 1.723 5.036 0.029 382 2HG GLN 50 2HG GLN 50 1.311 4.133 -1.426 383 1HE2 GLN 50 1HE2 GLN 50 0.914 5.234 -3.335 384 2HE2 GLN 50 2HE2 GLN 50 1.327 6.898 -3.549 385 H ASP 51 H ASP 51 -0.644 1.981 2.332 386 HA ASP 51 HA ASP 51 -1.063 4.079 4.354 387 1HB ASP 51 1HB ASP 51 -2.382 1.382 4.134 388 2HB ASP 51 2HB ASP 51 -2.368 2.306 5.628 389 H GLU 52 H GLU 52 -0.563 3.213 6.617 390 HA GLU 52 HA GLU 52 2.157 2.458 6.668 391 1HB GLU 52 1HB GLU 52 1.941 2.467 9.093 392 2HB GLU 52 2HB GLU 52 1.148 3.871 8.397 393 1HG GLU 52 1HG GLU 52 -0.340 1.377 9.161 394 2HG GLU 52 2HG GLU 52 -0.061 2.710 10.279 395 H ARG 53 H ARG 53 -0.825 0.640 7.229 396 HA ARG 53 HA ARG 53 0.475 -1.703 8.185 397 1HB ARG 53 1HB ARG 53 -2.074 -2.208 6.865 398 2HB ARG 53 2HB ARG 53 -1.589 -2.506 8.524 399 1HG ARG 53 1HG ARG 53 -1.915 0.030 8.843 400 2HG ARG 53 2HG ARG 53 -2.827 -0.059 7.333 401 1HD ARG 53 1HD ARG 53 -4.381 -0.286 9.125 402 2HD ARG 53 2HD ARG 53 -4.205 -1.867 8.365 403 HE ARG 53 HE ARG 53 -2.799 -1.149 10.855 404 1HH1 ARG 53 1HH1 ARG 53 -4.718 -3.347 8.947 405 2HH1 ARG 53 2HH1 ARG 53 -4.729 -4.588 10.155 406 1HH2 ARG 53 1HH2 ARG 53 -2.813 -2.778 12.451 407 2HH2 ARG 53 2HH2 ARG 53 -3.647 -4.265 12.146 408 H ALA 54 H ALA 54 0.390 -0.345 5.123 409 HA ALA 54 HA ALA 54 0.415 -2.861 3.675 410 1HB ALA 54 1HB ALA 54 -0.688 -0.785 2.805 411 2HB ALA 54 2HB ALA 54 0.429 -1.569 1.689 412 3HB ALA 54 3HB ALA 54 0.924 -0.117 2.558 413 H VAL 55 H VAL 55 2.678 -1.656 5.561 414 HA VAL 55 HA VAL 55 4.886 -1.793 3.663 415 HB VAL 55 HB VAL 55 6.334 -1.100 5.490 416 1HG1 VAL 55 1HG1 VAL 55 5.463 1.126 5.797 417 2HG1 VAL 55 2HG1 VAL 55 3.832 0.578 5.409 418 3HG1 VAL 55 3HG1 VAL 55 5.083 0.571 4.166 419 1HG2 VAL 55 1HG2 VAL 55 3.848 -1.354 7.170 420 2HG2 VAL 55 2HG2 VAL 55 5.271 -0.445 7.676 421 3HG2 VAL 55 3HG2 VAL 55 5.389 -2.181 7.387 422 H GLU 56 H GLU 56 3.851 -3.471 6.634 423 HA GLU 56 HA GLU 56 5.971 -5.309 6.695 424 1HB GLU 56 1HB GLU 56 4.539 -4.903 8.629 425 2HB GLU 56 2HB GLU 56 3.178 -5.637 7.793 426 1HG GLU 56 1HG GLU 56 5.629 -7.269 8.044 427 2HG GLU 56 2HG GLU 56 4.712 -6.962 9.522 428 HA PRO 57 HA PRO 57 2.641 -8.373 4.472 429 1HB PRO 57 1HB PRO 57 1.918 -6.142 2.604 430 2HB PRO 57 2HB PRO 57 0.976 -7.567 3.062 431 1HG PRO 57 1HG PRO 57 0.463 -5.203 4.164 432 2HG PRO 57 2HG PRO 57 0.406 -6.687 5.133 433 1HD PRO 57 1HD PRO 57 2.423 -4.512 5.128 434 2HD PRO 57 2HD PRO 57 1.955 -5.619 6.433 435 H LEU 58 H LEU 58 4.011 -5.677 2.583 436 HA LEU 58 HA LEU 58 4.925 -7.120 0.426 437 1HB LEU 58 1HB LEU 58 6.505 -4.825 1.534 438 2HB LEU 58 2HB LEU 58 6.251 -5.274 -0.142 439 HG LEU 58 HG LEU 58 4.290 -3.951 1.725 440 1HD1 LEU 58 1HD1 LEU 58 5.444 -3.112 -0.928 441 2HD1 LEU 58 2HD1 LEU 58 5.934 -2.497 0.652 442 3HD1 LEU 58 3HD1 LEU 58 4.303 -2.191 0.052 443 1HD2 LEU 58 1HD2 LEU 58 2.688 -4.025 -0.148 444 2HD2 LEU 58 2HD2 LEU 58 3.063 -5.627 0.487 445 3HD2 LEU 58 3HD2 LEU 58 3.792 -5.086 -1.024 446 H ILE 59 H ILE 59 6.709 -6.391 3.423 447 HA ILE 59 HA ILE 59 9.143 -7.521 2.735 448 HB ILE 59 HB ILE 59 7.915 -7.600 5.486 449 1HG1 ILE 59 1HG1 ILE 59 9.580 -5.434 4.181 450 2HG1 ILE 59 2HG1 ILE 59 7.849 -5.335 4.478 451 1HG2 ILE 59 1HG2 ILE 59 10.233 -7.581 6.257 452 2HG2 ILE 59 2HG2 ILE 59 10.796 -7.588 4.587 453 3HG2 ILE 59 3HG2 ILE 59 9.921 -8.979 5.228 454 1HD1 ILE 59 1HD1 ILE 59 10.000 -5.548 6.570 455 2HD1 ILE 59 2HD1 ILE 59 8.265 -5.484 6.885 456 3HD1 ILE 59 3HD1 ILE 59 9.080 -4.103 6.153 457 H LYS 60 H LYS 60 6.528 -9.123 4.554 458 HA LYS 60 HA LYS 60 7.788 -11.669 4.548 459 1HB LYS 60 1HB LYS 60 6.185 -11.032 6.261 460 2HB LYS 60 2HB LYS 60 4.919 -10.869 5.056 461 1HG LYS 60 1HG LYS 60 4.542 -12.918 6.145 462 2HG LYS 60 2HG LYS 60 5.222 -13.322 4.570 463 1HD LYS 60 1HD LYS 60 6.356 -14.716 6.070 464 2HD LYS 60 2HD LYS 60 7.483 -13.392 5.769 465 1HE LYS 60 1HE LYS 60 5.583 -13.367 8.096 466 2HE LYS 60 2HE LYS 60 7.159 -14.152 8.192 467 1HZ LYS 60 1HZ LYS 60 7.393 -11.963 9.025 468 2HZ LYS 60 2HZ LYS 60 6.606 -11.282 7.694 469 3HZ LYS 60 3HZ LYS 60 8.134 -11.978 7.504 470 H LEU 61 H LEU 61 6.017 -10.012 2.155 471 HA LEU 61 HA LEU 61 5.017 -12.414 0.859 472 1HB LEU 61 1HB LEU 61 4.716 -9.485 0.458 473 2HB LEU 61 2HB LEU 61 4.419 -10.544 -0.905 474 HG LEU 61 HG LEU 61 2.505 -11.407 -0.003 475 1HD1 LEU 61 1HD1 LEU 61 3.557 -10.735 2.737 476 2HD1 LEU 61 2HD1 LEU 61 3.399 -12.338 2.022 477 3HD1 LEU 61 3HD1 LEU 61 1.957 -11.401 2.416 478 1HD2 LEU 61 1HD2 LEU 61 1.217 -9.598 1.031 479 2HD2 LEU 61 2HD2 LEU 61 2.171 -9.038 -0.343 480 3HD2 LEU 61 3HD2 LEU 61 2.711 -8.705 1.299 481 H LEU 62 H LEU 62 7.369 -9.857 0.135 482 HA LEU 62 HA LEU 62 8.111 -10.743 -2.416 483 1HB LEU 62 1HB LEU 62 9.758 -9.274 -0.352 484 2HB LEU 62 2HB LEU 62 10.128 -9.385 -2.063 485 HG LEU 62 HG LEU 62 7.486 -8.256 -1.283 486 1HD1 LEU 62 1HD1 LEU 62 8.302 -6.135 -0.754 487 2HD1 LEU 62 2HD1 LEU 62 9.928 -6.517 -1.316 488 3HD1 LEU 62 3HD1 LEU 62 9.322 -7.232 0.178 489 1HD2 LEU 62 1HD2 LEU 62 9.488 -7.572 -3.432 490 2HD2 LEU 62 2HD2 LEU 62 7.866 -6.902 -3.264 491 3HD2 LEU 62 3HD2 LEU 62 8.078 -8.612 -3.633 492 H GLU 63 H GLU 63 8.634 -12.071 0.642 493 HA GLU 63 HA GLU 63 10.812 -13.768 -0.349 494 1HB GLU 63 1HB GLU 63 10.942 -12.261 1.817 495 2HB GLU 63 2HB GLU 63 10.067 -13.607 2.540 496 1HG GLU 63 1HG GLU 63 11.844 -15.118 1.737 497 2HG GLU 63 2HG GLU 63 12.728 -13.703 1.173 498 H ASP 64 H ASP 64 7.533 -13.656 0.384 499 HA ASP 64 HA ASP 64 7.031 -16.177 1.476 500 1HB ASP 64 1HB ASP 64 5.437 -14.177 1.205 501 2HB ASP 64 2HB ASP 64 5.139 -14.811 -0.410 502 H ASP 65 H ASP 65 7.599 -15.184 -1.775 503 HA ASP 65 HA ASP 65 7.841 -16.311 -3.742 504 1HB ASP 65 1HB ASP 65 8.527 -18.480 -1.766 505 2HB ASP 65 2HB ASP 65 8.643 -18.719 -3.507 506 H SER 66 H SER 66 5.147 -16.252 -2.443 507 HA SER 66 HA SER 66 3.971 -18.793 -3.210 508 1HB SER 66 1HB SER 66 3.134 -17.604 -1.227 509 2HB SER 66 2HB SER 66 2.646 -16.255 -2.248 510 HG SER 66 HG SER 66 0.897 -17.645 -1.837 511 H GLY 67 H GLY 67 4.946 -16.126 -4.886 512 1HA GLY 67 1HA GLY 67 4.659 -15.668 -7.143 513 2HA GLY 67 2HA GLY 67 3.391 -16.883 -7.199 514 H PHE 68 H PHE 68 1.304 -16.251 -6.134 515 HA PHE 68 HA PHE 68 0.410 -13.759 -7.183 516 1HB PHE 68 1HB PHE 68 -0.965 -15.864 -6.953 517 2HB PHE 68 2HB PHE 68 -1.020 -15.571 -5.224 518 HD1 PHE 68 HD1 PHE 68 -3.511 -15.862 -5.908 519 HD2 PHE 68 HD2 PHE 68 -1.163 -12.441 -6.896 520 HE1 PHE 68 HE1 PHE 68 -5.561 -14.544 -6.215 521 HE2 PHE 68 HE2 PHE 68 -3.217 -11.128 -7.204 522 HZ PHE 68 HZ PHE 68 -5.417 -12.175 -6.864 523 H VAL 69 H VAL 69 1.044 -14.988 -3.932 524 HA VAL 69 HA VAL 69 0.292 -12.582 -2.599 525 HB VAL 69 HB VAL 69 2.103 -14.685 -1.451 526 1HG1 VAL 69 1HG1 VAL 69 0.651 -14.053 0.592 527 2HG1 VAL 69 2HG1 VAL 69 0.250 -12.616 -0.350 528 3HG1 VAL 69 3HG1 VAL 69 1.927 -12.960 0.070 529 1HG2 VAL 69 1HG2 VAL 69 0.185 -15.979 -0.794 530 2HG2 VAL 69 2HG2 VAL 69 0.154 -15.769 -2.545 531 3HG2 VAL 69 3HG2 VAL 69 -0.909 -14.803 -1.521 532 H ARG 70 H ARG 70 3.294 -13.876 -3.859 533 HA ARG 70 HA ARG 70 4.974 -11.946 -2.559 534 1HB ARG 70 1HB ARG 70 5.835 -14.148 -3.139 535 2HB ARG 70 2HB ARG 70 5.530 -13.842 -4.844 536 1HG ARG 70 1HG ARG 70 7.152 -11.956 -4.726 537 2HG ARG 70 2HG ARG 70 7.530 -12.455 -3.078 538 1HD ARG 70 1HD ARG 70 8.214 -14.652 -3.903 539 2HD ARG 70 2HD ARG 70 7.840 -14.151 -5.551 540 HE ARG 70 HE ARG 70 9.614 -12.286 -4.707 541 1HH1 ARG 70 1HH1 ARG 70 9.633 -15.771 -4.791 542 2HH1 ARG 70 2HH1 ARG 70 11.353 -15.884 -4.967 543 1HH2 ARG 70 1HH2 ARG 70 11.875 -12.430 -4.942 544 2HH2 ARG 70 2HH2 ARG 70 12.624 -13.986 -5.048 545 H SER 71 H SER 71 4.006 -12.438 -5.957 546 HA SER 71 HA SER 71 5.301 -10.298 -7.106 547 1HB SER 71 1HB SER 71 3.616 -10.386 -8.884 548 2HB SER 71 2HB SER 71 4.095 -12.011 -8.394 549 HG SER 71 HG SER 71 1.803 -11.732 -8.609 550 H GLY 72 H GLY 72 1.939 -10.288 -5.902 551 1HA GLY 72 1HA GLY 72 1.216 -7.707 -6.388 552 2HA GLY 72 2HA GLY 72 0.703 -8.589 -4.960 553 H ALA 73 H ALA 73 3.410 -8.805 -3.885 554 HA ALA 73 HA ALA 73 3.462 -6.381 -2.412 555 1HB ALA 73 1HB ALA 73 5.506 -8.593 -2.564 556 2HB ALA 73 2HB ALA 73 4.159 -8.492 -1.430 557 3HB ALA 73 3HB ALA 73 5.466 -7.310 -1.354 558 H ALA 74 H ALA 74 5.646 -7.752 -4.865 559 HA ALA 74 HA ALA 74 7.551 -5.735 -4.898 560 1HB ALA 74 1HB ALA 74 7.859 -7.861 -6.044 561 2HB ALA 74 2HB ALA 74 8.116 -6.512 -7.151 562 3HB ALA 74 3HB ALA 74 6.609 -7.427 -7.210 563 H ARG 75 H ARG 75 4.423 -5.908 -6.482 564 HA ARG 75 HA ARG 75 4.804 -3.576 -8.096 565 1HB ARG 75 1HB ARG 75 2.059 -4.425 -7.345 566 2HB ARG 75 2HB ARG 75 2.707 -3.988 -8.919 567 1HG ARG 75 1HG ARG 75 3.812 -6.153 -9.079 568 2HG ARG 75 2HG ARG 75 3.187 -6.589 -7.487 569 1HD ARG 75 1HD ARG 75 1.746 -7.598 -9.073 570 2HD ARG 75 2HD ARG 75 0.880 -6.210 -8.410 571 HE ARG 75 HE ARG 75 1.384 -5.022 -10.460 572 1HH1 ARG 75 1HH1 ARG 75 1.900 -8.469 -10.491 573 2HH1 ARG 75 2HH1 ARG 75 1.804 -8.596 -12.214 574 1HH2 ARG 75 1HH2 ARG 75 1.260 -5.181 -12.729 575 2HH2 ARG 75 2HH2 ARG 75 1.442 -6.728 -13.487 576 H SER 76 H SER 76 3.516 -4.267 -4.928 577 HA SER 76 HA SER 76 2.178 -1.860 -4.440 578 1HB SER 76 1HB SER 76 1.805 -3.765 -3.024 579 2HB SER 76 2HB SER 76 3.500 -3.798 -2.540 580 HG SER 76 HG SER 76 2.154 -2.791 -0.975 581 H LEU 77 H LEU 77 5.571 -2.743 -4.034 582 HA LEU 77 HA LEU 77 6.383 -0.520 -2.543 583 1HB LEU 77 1HB LEU 77 7.811 -2.338 -4.451 584 2HB LEU 77 2HB LEU 77 8.639 -0.968 -3.734 585 HG LEU 77 HG LEU 77 7.387 -2.330 -1.608 586 1HD1 LEU 77 1HD1 LEU 77 7.158 -4.269 -3.053 587 2HD1 LEU 77 2HD1 LEU 77 8.353 -4.563 -1.791 588 3HD1 LEU 77 3HD1 LEU 77 8.878 -4.204 -3.436 589 1HD2 LEU 77 1HD2 LEU 77 9.457 -1.067 -1.478 590 2HD2 LEU 77 2HD2 LEU 77 10.266 -2.256 -2.499 591 3HD2 LEU 77 3HD2 LEU 77 9.697 -2.713 -0.892 592 H GLU 78 H GLU 78 6.768 -0.996 -6.062 593 HA GLU 78 HA GLU 78 7.537 1.626 -6.632 594 1HB GLU 78 1HB GLU 78 6.854 1.115 -8.968 595 2HB GLU 78 2HB GLU 78 7.883 -0.117 -8.249 596 1HG GLU 78 1HG GLU 78 5.862 -1.451 -7.760 597 2HG GLU 78 2HG GLU 78 4.901 -0.246 -8.615 598 H GLN 79 H GLN 79 4.364 0.256 -6.140 599 HA GLN 79 HA GLN 79 2.893 2.404 -7.293 600 1HB GLN 79 1HB GLN 79 2.173 0.191 -5.383 601 2HB GLN 79 2HB GLN 79 1.017 1.447 -5.802 602 1HG GLN 79 1HG GLN 79 1.103 0.823 -8.122 603 2HG GLN 79 2HG GLN 79 2.381 -0.347 -7.798 604 1HE2 GLN 79 1HE2 GLN 79 1.183 -1.241 -5.304 605 2HE2 GLN 79 2HE2 GLN 79 -0.172 -2.221 -5.737 606 H ILE 80 H ILE 80 4.122 1.714 -4.066 607 HA ILE 80 HA ILE 80 2.789 3.964 -2.861 608 HB ILE 80 HB ILE 80 4.927 2.100 -1.826 609 1HG1 ILE 80 1HG1 ILE 80 2.042 2.375 -0.972 610 2HG1 ILE 80 2HG1 ILE 80 2.567 1.246 -2.217 611 1HG2 ILE 80 1HG2 ILE 80 4.444 3.095 0.398 612 2HG2 ILE 80 2HG2 ILE 80 3.491 4.341 -0.407 613 3HG2 ILE 80 3HG2 ILE 80 5.221 4.215 -0.720 614 1HD1 ILE 80 1HD1 ILE 80 3.956 0.083 -0.626 615 2HD1 ILE 80 2HD1 ILE 80 2.303 0.191 -0.018 616 3HD1 ILE 80 3HD1 ILE 80 3.553 1.258 0.624 617 H GLY 81 H GLY 81 6.256 3.164 -3.260 618 1HA GLY 81 1HA GLY 81 8.076 4.506 -3.662 619 2HA GLY 81 2HA GLY 81 6.959 5.690 -4.321 620 H GLY 82 H GLY 82 9.291 5.318 -2.096 621 1HA GLY 82 1HA GLY 82 9.359 7.639 -0.866 622 2HA GLY 82 2HA GLY 82 8.011 6.917 -0.001 623 H GLU 83 H GLU 83 10.103 7.688 1.479 624 HA GLU 83 HA GLU 83 12.178 5.824 1.809 625 1HB GLU 83 1HB GLU 83 12.222 8.113 2.726 626 2HB GLU 83 2HB GLU 83 10.973 7.664 3.880 627 1HG GLU 83 1HG GLU 83 12.497 6.004 4.856 628 2HG GLU 83 2HG GLU 83 13.749 6.509 3.722 629 H ARG 84 H ARG 84 8.884 5.813 2.905 630 HA ARG 84 HA ARG 84 9.123 3.989 5.027 631 1HB ARG 84 1HB ARG 84 6.739 3.636 4.825 632 2HB ARG 84 2HB ARG 84 7.085 5.340 4.595 633 1HG ARG 84 1HG ARG 84 6.633 3.409 2.330 634 2HG ARG 84 2HG ARG 84 5.361 4.392 3.054 635 1HD ARG 84 1HD ARG 84 7.812 5.335 1.585 636 2HD ARG 84 2HD ARG 84 6.126 5.524 1.105 637 HE ARG 84 HE ARG 84 7.121 6.808 3.553 638 1HH1 ARG 84 1HH1 ARG 84 5.725 7.022 0.368 639 2HH1 ARG 84 2HH1 ARG 84 5.334 8.703 0.513 640 1HH2 ARG 84 1HH2 ARG 84 6.610 9.017 3.753 641 2HH2 ARG 84 2HH2 ARG 84 5.838 9.837 2.437 642 H VAL 85 H VAL 85 8.393 3.484 1.604 643 HA VAL 85 HA VAL 85 8.302 0.648 1.810 644 HB VAL 85 HB VAL 85 8.926 1.325 -0.864 645 1HG1 VAL 85 1HG1 VAL 85 7.442 -0.423 -0.469 646 2HG1 VAL 85 2HG1 VAL 85 6.398 0.858 -1.087 647 3HG1 VAL 85 3HG1 VAL 85 6.463 0.532 0.644 648 1HG2 VAL 85 1HG2 VAL 85 8.509 3.653 -0.395 649 2HG2 VAL 85 2HG2 VAL 85 6.990 3.258 0.409 650 3HG2 VAL 85 3HG2 VAL 85 7.158 3.007 -1.328 651 H ARG 86 H ARG 86 10.859 2.948 1.441 652 HA ARG 86 HA ARG 86 12.800 1.370 0.187 653 1HB ARG 86 1HB ARG 86 13.059 3.599 2.203 654 2HB ARG 86 2HB ARG 86 14.452 2.827 1.464 655 1HG ARG 86 1HG ARG 86 13.579 3.480 -0.761 656 2HG ARG 86 2HG ARG 86 12.279 4.354 0.049 657 1HD ARG 86 1HD ARG 86 14.006 5.697 1.235 658 2HD ARG 86 2HD ARG 86 15.238 4.893 0.263 659 HE ARG 86 HE ARG 86 13.334 5.991 -1.465 660 1HH1 ARG 86 1HH1 ARG 86 15.802 7.027 0.770 661 2HH1 ARG 86 2HH1 ARG 86 16.082 8.534 -0.040 662 1HH2 ARG 86 1HH2 ARG 86 13.697 7.974 -2.534 663 2HH2 ARG 86 2HH2 ARG 86 14.886 9.071 -1.914 664 H ALA 87 H ALA 87 11.560 1.314 3.423 665 HA ALA 87 HA ALA 87 13.693 -0.177 4.591 666 1HB ALA 87 1HB ALA 87 10.830 0.177 5.484 667 2HB ALA 87 2HB ALA 87 12.212 1.151 5.986 668 3HB ALA 87 3HB ALA 87 12.114 -0.548 6.450 669 H ALA 88 H ALA 88 10.814 -0.917 2.809 670 HA ALA 88 HA ALA 88 10.664 -3.679 3.474 671 1HB ALA 88 1HB ALA 88 9.033 -3.838 1.720 672 2HB ALA 88 2HB ALA 88 9.565 -2.307 1.026 673 3HB ALA 88 3HB ALA 88 8.766 -2.332 2.599 674 H MET 89 H MET 89 12.026 -1.885 0.722 675 HA MET 89 HA MET 89 12.936 -4.222 -0.624 676 1HB MET 89 1HB MET 89 14.239 -2.657 -2.025 677 2HB MET 89 2HB MET 89 12.550 -2.198 -1.887 678 1HG MET 89 1HG MET 89 13.665 -0.197 -1.696 679 2HG MET 89 2HG MET 89 13.351 -0.632 -0.017 680 1HE MET 89 1HE MET 89 15.279 1.258 0.630 681 2HE MET 89 2HE MET 89 15.437 1.533 -1.104 682 3HE MET 89 3HE MET 89 16.874 1.238 -0.125 683 H GLU 90 H GLU 90 14.304 -2.062 1.765 684 HA GLU 90 HA GLU 90 16.983 -2.887 1.587 685 1HB GLU 90 1HB GLU 90 15.304 -1.616 3.708 686 2HB GLU 90 2HB GLU 90 16.885 -2.242 4.151 687 1HG GLU 90 1HG GLU 90 16.383 -0.244 1.959 688 2HG GLU 90 2HG GLU 90 16.899 0.159 3.596 689 H LYS 91 H LYS 91 14.183 -4.219 3.219 690 HA LYS 91 HA LYS 91 15.478 -6.113 4.837 691 1HB LYS 91 1HB LYS 91 12.739 -6.067 3.584 692 2HB LYS 91 2HB LYS 91 13.266 -7.382 4.624 693 1HG LYS 91 1HG LYS 91 13.211 -4.489 5.451 694 2HG LYS 91 2HG LYS 91 11.922 -5.647 5.777 695 1HD LYS 91 1HD LYS 91 14.781 -5.966 6.685 696 2HD LYS 91 2HD LYS 91 13.482 -5.317 7.687 697 1HE LYS 91 1HE LYS 91 12.244 -7.467 7.300 698 2HE LYS 91 2HE LYS 91 13.703 -8.091 6.531 699 1HZ LYS 91 1HZ LYS 91 13.631 -8.769 8.821 700 2HZ LYS 91 2HZ LYS 91 13.451 -7.171 9.344 701 3HZ LYS 91 3HZ LYS 91 14.897 -7.664 8.619 702 H LEU 92 H LEU 92 14.401 -6.298 1.469 703 HA LEU 92 HA LEU 92 15.067 -9.051 1.133 704 1HB LEU 92 1HB LEU 92 14.801 -6.925 -0.991 705 2HB LEU 92 2HB LEU 92 14.752 -8.661 -1.237 706 HG LEU 92 HG LEU 92 12.714 -7.081 0.320 707 1HD1 LEU 92 1HD1 LEU 92 12.453 -6.481 -1.940 708 2HD1 LEU 92 2HD1 LEU 92 11.264 -7.748 -1.650 709 3HD1 LEU 92 3HD1 LEU 92 12.762 -8.125 -2.494 710 1HD2 LEU 92 1HD2 LEU 92 13.005 -9.420 1.069 711 2HD2 LEU 92 2HD2 LEU 92 12.685 -9.962 -0.578 712 3HD2 LEU 92 3HD2 LEU 92 11.427 -9.130 0.336 713 H ALA 93 H ALA 93 16.758 -6.021 0.534 714 HA ALA 93 HA ALA 93 18.913 -6.936 -0.915 715 1HB ALA 93 1HB ALA 93 18.445 -4.561 -0.383 716 2HB ALA 93 2HB ALA 93 20.130 -5.014 -0.130 717 3HB ALA 93 3HB ALA 93 19.046 -4.845 1.250 718 H GLU 94 H GLU 94 18.199 -7.423 2.456 719 HA GLU 94 HA GLU 94 20.878 -8.480 2.972 720 1HB GLU 94 1HB GLU 94 18.572 -8.039 4.871 721 2HB GLU 94 2HB GLU 94 20.191 -8.551 5.325 722 1HG GLU 94 1HG GLU 94 19.430 -5.910 4.098 723 2HG GLU 94 2HG GLU 94 19.888 -6.199 5.777 724 H THR 95 H THR 95 17.863 -9.648 1.997 725 HA THR 95 HA THR 95 18.348 -12.272 3.248 726 HB THR 95 HB THR 95 16.000 -12.808 2.589 727 HG1 THR 95 HG1 THR 95 15.058 -11.482 1.253 728 1HG2 THR 95 1HG2 THR 95 16.312 -10.327 4.287 729 2HG2 THR 95 2HG2 THR 95 16.541 -11.985 4.845 730 3HG2 THR 95 3HG2 THR 95 14.947 -11.444 4.317 731 H GLY 96 H GLY 96 17.992 -10.668 0.158 732 1HA GLY 96 1HA GLY 96 18.277 -11.389 -1.996 733 2HA GLY 96 2HA GLY 96 19.452 -12.487 -1.303 734 H THR 97 H THR 97 16.209 -12.118 -2.493 735 HA THR 97 HA THR 97 16.004 -15.040 -2.656 736 HB THR 97 HB THR 97 13.767 -13.273 -1.644 737 HG1 THR 97 HG1 THR 97 14.430 -13.830 0.289 738 1HG2 THR 97 1HG2 THR 97 13.887 -16.264 -2.052 739 2HG2 THR 97 2HG2 THR 97 12.940 -15.125 -3.008 740 3HG2 THR 97 3HG2 THR 97 12.554 -15.383 -1.308 741 H GLY 98 H GLY 98 15.381 -15.721 -4.582 742 1HA GLY 98 1HA GLY 98 14.922 -15.580 -6.841 743 2HA GLY 98 2HA GLY 98 13.391 -14.986 -6.227 744 H PHE 99 H PHE 99 12.770 -13.314 -7.388 745 HA PHE 99 HA PHE 99 14.744 -11.487 -8.517 746 1HB PHE 99 1HB PHE 99 13.073 -10.767 -9.998 747 2HB PHE 99 2HB PHE 99 12.767 -12.491 -9.819 748 HD1 PHE 99 HD1 PHE 99 11.113 -9.657 -10.330 749 HD2 PHE 99 HD2 PHE 99 11.229 -12.752 -7.406 750 HE1 PHE 99 HE1 PHE 99 8.791 -9.148 -9.703 751 HE2 PHE 99 HE2 PHE 99 8.906 -12.249 -6.780 752 HZ PHE 99 HZ PHE 99 7.683 -10.446 -7.928 753 H ALA 100 H ALA 100 12.472 -11.660 -5.935 754 HA ALA 100 HA ALA 100 11.722 -9.047 -5.505 755 1HB ALA 100 1HB ALA 100 12.501 -11.111 -3.448 756 2HB ALA 100 2HB ALA 100 10.894 -10.851 -4.128 757 3HB ALA 100 3HB ALA 100 11.629 -9.619 -3.103 758 H ARG 101 H ARG 101 14.765 -10.622 -4.707 759 HA ARG 101 HA ARG 101 15.972 -8.608 -3.211 760 1HB ARG 101 1HB ARG 101 16.920 -10.838 -3.413 761 2HB ARG 101 2HB ARG 101 17.193 -10.589 -5.132 762 1HG ARG 101 1HG ARG 101 19.265 -10.360 -3.920 763 2HG ARG 101 2HG ARG 101 18.793 -8.802 -4.601 764 1HD ARG 101 1HD ARG 101 17.984 -8.049 -2.470 765 2HD ARG 101 2HD ARG 101 18.237 -9.645 -1.765 766 HE ARG 101 HE ARG 101 20.370 -9.003 -1.337 767 1HH1 ARG 101 1HH1 ARG 101 19.268 -7.245 -4.141 768 2HH1 ARG 101 2HH1 ARG 101 20.739 -6.346 -4.311 769 1HH2 ARG 101 1HH2 ARG 101 22.304 -7.825 -1.558 770 2HH2 ARG 101 2HH2 ARG 101 22.464 -6.676 -2.844 771 H LYS 102 H LYS 102 16.510 -9.294 -6.668 772 HA LYS 102 HA LYS 102 17.929 -6.990 -7.290 773 1HB LYS 102 1HB LYS 102 17.865 -8.794 -8.861 774 2HB LYS 102 2HB LYS 102 16.112 -8.724 -8.967 775 1HG LYS 102 1HG LYS 102 16.313 -6.484 -10.008 776 2HG LYS 102 2HG LYS 102 18.066 -6.682 -9.996 777 1HD LYS 102 1HD LYS 102 17.901 -8.617 -11.436 778 2HD LYS 102 2HD LYS 102 16.138 -8.549 -11.373 779 1HE LYS 102 1HE LYS 102 17.003 -7.601 -13.457 780 2HE LYS 102 2HE LYS 102 16.165 -6.388 -12.490 781 1HZ LYS 102 1HZ LYS 102 19.108 -6.746 -12.666 782 2HZ LYS 102 2HZ LYS 102 18.320 -5.603 -11.700 783 3HZ LYS 102 3HZ LYS 102 18.212 -5.503 -13.385 784 H VAL 103 H VAL 103 14.487 -7.607 -7.221 785 HA VAL 103 HA VAL 103 13.562 -5.236 -8.373 786 HB VAL 103 HB VAL 103 12.336 -7.155 -6.403 787 1HG1 VAL 103 1HG1 VAL 103 10.174 -6.029 -6.806 788 2HG1 VAL 103 2HG1 VAL 103 11.022 -4.748 -7.672 789 3HG1 VAL 103 3HG1 VAL 103 11.322 -4.999 -5.951 790 1HG2 VAL 103 1HG2 VAL 103 12.717 -7.895 -8.735 791 2HG2 VAL 103 2HG2 VAL 103 11.684 -6.579 -9.290 792 3HG2 VAL 103 3HG2 VAL 103 11.012 -7.863 -8.287 793 H ALA 104 H ALA 104 14.499 -6.026 -5.077 794 HA ALA 104 HA ALA 104 13.456 -3.749 -3.801 795 1HB ALA 104 1HB ALA 104 15.785 -5.514 -3.067 796 2HB ALA 104 2HB ALA 104 14.110 -5.689 -2.542 797 3HB ALA 104 3HB ALA 104 15.063 -4.307 -2.004 798 H VAL 105 H VAL 105 16.838 -4.424 -4.670 799 HA VAL 105 HA VAL 105 17.821 -1.871 -4.096 800 HB VAL 105 HB VAL 105 18.935 -3.882 -6.055 801 1HG1 VAL 105 1HG1 VAL 105 21.082 -2.755 -5.631 802 2HG1 VAL 105 2HG1 VAL 105 20.240 -1.542 -4.666 803 3HG1 VAL 105 3HG1 VAL 105 19.905 -1.684 -6.392 804 1HG2 VAL 105 1HG2 VAL 105 18.634 -4.834 -3.836 805 2HG2 VAL 105 2HG2 VAL 105 19.492 -3.471 -3.118 806 3HG2 VAL 105 3HG2 VAL 105 20.348 -4.591 -4.178 807 H ASN 106 H ASN 106 16.608 -3.248 -7.124 808 HA ASN 106 HA ASN 106 17.271 -0.988 -8.718 809 1HB ASN 106 1HB ASN 106 16.990 -3.082 -9.824 810 2HB ASN 106 2HB ASN 106 15.376 -3.293 -9.153 811 1HD2 ASN 106 1HD2 ASN 106 17.306 -1.588 -11.496 812 2HD2 ASN 106 2HD2 ASN 106 15.989 -1.011 -12.453 813 H TYR 107 H TYR 107 14.577 -1.761 -6.665 814 HA TYR 107 HA TYR 107 12.624 -0.128 -7.869 815 1HB TYR 107 1HB TYR 107 11.723 -1.693 -6.434 816 2HB TYR 107 2HB TYR 107 12.958 -1.435 -5.209 817 HD1 TYR 107 HD1 TYR 107 12.168 -0.590 -3.279 818 HD2 TYR 107 HD2 TYR 107 10.383 0.705 -6.903 819 HE1 TYR 107 HE1 TYR 107 10.687 0.903 -2.002 820 HE2 TYR 107 HE2 TYR 107 8.892 2.200 -5.646 821 HH TYR 107 HH TYR 107 7.968 2.385 -3.360 822 H LEU 108 H LEU 108 14.788 0.452 -5.109 823 HA LEU 108 HA LEU 108 13.888 2.951 -4.377 824 1HB LEU 108 1HB LEU 108 16.223 3.316 -3.532 825 2HB LEU 108 2HB LEU 108 15.408 1.885 -2.951 826 HG LEU 108 HG LEU 108 16.698 0.733 -4.925 827 1HD1 LEU 108 1HD1 LEU 108 18.438 3.124 -4.341 828 2HD1 LEU 108 2HD1 LEU 108 17.603 2.801 -5.861 829 3HD1 LEU 108 3HD1 LEU 108 18.890 1.724 -5.315 830 1HD2 LEU 108 1HD2 LEU 108 16.977 0.153 -2.599 831 2HD2 LEU 108 2HD2 LEU 108 17.985 1.574 -2.335 832 3HD2 LEU 108 3HD2 LEU 108 18.556 0.270 -3.375 833 H GLU 109 H GLU 109 15.370 2.142 -7.313 834 HA GLU 109 HA GLU 109 16.598 4.694 -7.803 835 1HB GLU 109 1HB GLU 109 15.956 2.357 -9.602 836 2HB GLU 109 2HB GLU 109 16.738 3.824 -10.175 837 1HG GLU 109 1HG GLU 109 17.805 2.010 -8.023 838 2HG GLU 109 2HG GLU 109 18.333 2.024 -9.705 839 H THR 110 H THR 110 13.516 3.998 -7.367 840 HA THR 110 HA THR 110 12.583 5.916 -9.399 841 HB THR 110 HB THR 110 10.981 3.615 -8.266 842 HG1 THR 110 HG1 THR 110 12.804 3.328 -9.962 843 1HG2 THR 110 1HG2 THR 110 9.350 4.218 -10.002 844 2HG2 THR 110 2HG2 THR 110 10.353 5.596 -10.458 845 3HG2 THR 110 3HG2 THR 110 9.603 5.540 -8.863 846 H HIS 111 H HIS 111 11.533 4.416 -6.338 847 HA HIS 111 HA HIS 111 10.319 5.233 -4.598 848 1HB HIS 111 1HB HIS 111 11.379 7.134 -3.438 849 2HB HIS 111 2HB HIS 111 12.554 5.938 -3.963 850 HD1 HIS 111 HD1 HIS 111 14.009 6.624 -6.104 851 HD2 HIS 111 HD2 HIS 111 11.827 9.682 -4.327 852 HE1 HIS 111 HE1 HIS 111 15.009 8.760 -6.978 853 HE2 HIS 111 HE2 HIS 111 13.711 10.598 -5.843 Start of MODEL 38 1 H MET 1 H MET 1 -27.161 1.209 10.193 2 HA MET 1 HA MET 1 -25.009 1.522 11.262 3 1HB MET 1 1HB MET 1 -25.443 3.772 12.120 4 2HB MET 1 2HB MET 1 -26.375 3.467 10.660 5 1HG MET 1 1HG MET 1 -27.521 3.158 13.419 6 2HG MET 1 2HG MET 1 -27.564 4.675 12.523 7 1HE MET 1 1HE MET 1 -28.019 3.696 9.527 8 2HE MET 1 2HE MET 1 -28.875 5.039 10.284 9 3HE MET 1 3HE MET 1 -29.779 3.779 9.444 10 H ALA 2 H ALA 2 -23.746 1.518 13.069 11 HA ALA 2 HA ALA 2 -24.878 0.218 15.407 12 1HB ALA 2 1HB ALA 2 -22.616 -0.153 16.106 13 2HB ALA 2 2HB ALA 2 -22.006 0.986 14.906 14 3HB ALA 2 3HB ALA 2 -22.731 -0.536 14.388 15 H ASP 3 H ASP 3 -23.635 1.034 17.545 16 HA ASP 3 HA ASP 3 -24.545 3.784 17.873 17 1HB ASP 3 1HB ASP 3 -23.693 1.697 19.889 18 2HB ASP 3 2HB ASP 3 -24.214 3.326 20.310 19 H GLU 4 H GLU 4 -21.604 1.885 17.986 20 HA GLU 4 HA GLU 4 -20.045 4.181 18.880 21 1HB GLU 4 1HB GLU 4 -19.304 1.308 18.328 22 2HB GLU 4 2HB GLU 4 -18.125 2.541 18.753 23 1HG GLU 4 1HG GLU 4 -18.642 1.341 20.727 24 2HG GLU 4 2HG GLU 4 -19.409 2.922 20.861 25 H ASN 5 H ASN 5 -20.950 2.576 15.990 26 HA ASN 5 HA ASN 5 -18.947 4.135 14.494 27 1HB ASN 5 1HB ASN 5 -20.130 1.432 13.847 28 2HB ASN 5 2HB ASN 5 -19.199 2.385 12.696 29 1HD2 ASN 5 1HD2 ASN 5 -18.648 -0.238 13.832 30 2HD2 ASN 5 2HD2 ASN 5 -17.106 -0.113 14.600 31 H LYS 6 H LYS 6 -19.665 5.545 13.037 32 HA LYS 6 HA LYS 6 -22.479 5.385 12.187 33 1HB LYS 6 1HB LYS 6 -22.001 7.146 13.959 34 2HB LYS 6 2HB LYS 6 -21.030 7.971 12.749 35 1HG LYS 6 1HG LYS 6 -22.945 8.308 11.351 36 2HG LYS 6 2HG LYS 6 -23.944 7.305 12.403 37 1HD LYS 6 1HD LYS 6 -24.411 9.630 12.845 38 2HD LYS 6 2HD LYS 6 -23.577 8.931 14.234 39 1HE LYS 6 1HE LYS 6 -22.667 11.116 13.760 40 2HE LYS 6 2HE LYS 6 -21.458 9.883 13.405 41 1HZ LYS 6 1HZ LYS 6 -22.030 10.060 11.059 42 2HZ LYS 6 2HZ LYS 6 -21.530 11.554 11.673 43 3HZ LYS 6 3HZ LYS 6 -23.173 11.258 11.407 44 H TRP 7 H TRP 7 -19.391 5.183 11.226 45 HA TRP 7 HA TRP 7 -20.047 5.976 8.489 46 1HB TRP 7 1HB TRP 7 -17.554 6.850 9.969 47 2HB TRP 7 2HB TRP 7 -17.792 7.023 8.233 48 HD1 TRP 7 HD1 TRP 7 -18.478 8.743 11.481 49 HE1 TRP 7 HE1 TRP 7 -19.834 10.891 11.061 50 HE3 TRP 7 HE3 TRP 7 -19.747 7.960 6.591 51 HZ2 TRP 7 HZ2 TRP 7 -21.254 12.094 8.937 52 HZ3 TRP 7 HZ3 TRP 7 -21.105 9.656 5.438 53 HH2 TRP 7 HH2 TRP 7 -21.844 11.680 6.587 54 H VAL 8 H VAL 8 -17.103 5.542 7.869 55 HA VAL 8 HA VAL 8 -15.675 3.876 7.290 56 HB VAL 8 HB VAL 8 -17.165 2.119 9.242 57 1HG1 VAL 8 1HG1 VAL 8 -15.767 0.887 7.672 58 2HG1 VAL 8 2HG1 VAL 8 -15.087 0.832 9.298 59 3HG1 VAL 8 3HG1 VAL 8 -14.389 1.906 8.086 60 1HG2 VAL 8 1HG2 VAL 8 -16.378 4.110 10.379 61 2HG2 VAL 8 2HG2 VAL 8 -14.771 3.904 9.682 62 3HG2 VAL 8 3HG2 VAL 8 -15.387 2.726 10.841 63 H ARG 9 H ARG 9 -18.384 1.701 7.991 64 HA ARG 9 HA ARG 9 -18.640 1.230 5.091 65 1HB ARG 9 1HB ARG 9 -19.116 -1.130 5.597 66 2HB ARG 9 2HB ARG 9 -17.513 -0.657 6.142 67 1HG ARG 9 1HG ARG 9 -18.370 -0.432 8.429 68 2HG ARG 9 2HG ARG 9 -19.963 -0.946 7.870 69 1HD ARG 9 1HD ARG 9 -17.416 -2.559 7.803 70 2HD ARG 9 2HD ARG 9 -18.801 -2.819 8.862 71 HE ARG 9 HE ARG 9 -19.560 -2.920 6.125 72 1HH1 ARG 9 1HH1 ARG 9 -18.007 -4.757 8.646 73 2HH1 ARG 9 2HH1 ARG 9 -18.405 -6.293 7.950 74 1HH2 ARG 9 1HH2 ARG 9 -20.087 -4.934 5.201 75 2HH2 ARG 9 2HH2 ARG 9 -19.591 -6.393 5.993 76 H ARG 10 H ARG 10 -20.175 3.002 6.892 77 HA ARG 10 HA ARG 10 -22.687 1.919 7.486 78 1HB ARG 10 1HB ARG 10 -22.034 4.097 8.330 79 2HB ARG 10 2HB ARG 10 -21.911 4.736 6.698 80 1HG ARG 10 1HG ARG 10 -24.319 4.458 6.404 81 2HG ARG 10 2HG ARG 10 -24.444 3.813 8.042 82 1HD ARG 10 1HD ARG 10 -23.649 5.917 8.956 83 2HD ARG 10 2HD ARG 10 -23.431 6.564 7.330 84 HE ARG 10 HE ARG 10 -26.106 5.722 7.711 85 1HH1 ARG 10 1HH1 ARG 10 -23.880 8.257 8.586 86 2HH1 ARG 10 2HH1 ARG 10 -25.119 9.450 8.791 87 1HH2 ARG 10 1HH2 ARG 10 -27.742 7.286 7.980 88 2HH2 ARG 10 2HH2 ARG 10 -27.314 8.897 8.449 89 H ASP 11 H ASP 11 -23.757 0.746 6.010 90 HA ASP 11 HA ASP 11 -25.006 0.243 4.177 91 1HB ASP 11 1HB ASP 11 -24.679 3.191 3.619 92 2HB ASP 11 2HB ASP 11 -25.691 2.118 2.656 93 H VAL 12 H VAL 12 -21.850 1.093 4.117 94 HA VAL 12 HA VAL 12 -21.471 0.867 1.235 95 HB VAL 12 HB VAL 12 -19.443 1.242 3.446 96 1HG1 VAL 12 1HG1 VAL 12 -18.420 0.144 1.551 97 2HG1 VAL 12 2HG1 VAL 12 -17.893 1.826 1.611 98 3HG1 VAL 12 3HG1 VAL 12 -19.120 1.327 0.447 99 1HG2 VAL 12 1HG2 VAL 12 -19.308 3.546 2.639 100 2HG2 VAL 12 2HG2 VAL 12 -20.937 3.155 3.189 101 3HG2 VAL 12 3HG2 VAL 12 -20.579 3.211 1.463 102 H SER 13 H SER 13 -20.856 -0.936 4.196 103 HA SER 13 HA SER 13 -20.230 -3.079 4.603 104 1HB SER 13 1HB SER 13 -22.271 -3.628 3.424 105 2HB SER 13 2HB SER 13 -21.456 -3.478 1.866 106 HG SER 13 HG SER 13 -21.248 -5.571 2.168 107 H THR 14 H THR 14 -19.721 -3.516 1.152 108 HA THR 14 HA THR 14 -16.998 -4.333 1.647 109 HB THR 14 HB THR 14 -16.935 -4.839 -0.775 110 HG1 THR 14 HG1 THR 14 -19.681 -4.286 -0.972 111 1HG2 THR 14 1HG2 THR 14 -17.744 -6.538 0.771 112 2HG2 THR 14 2HG2 THR 14 -18.640 -6.618 -0.746 113 3HG2 THR 14 3HG2 THR 14 -19.374 -5.874 0.674 114 H ALA 15 H ALA 15 -15.872 -2.494 2.238 115 HA ALA 15 HA ALA 15 -15.847 -0.221 0.402 116 1HB ALA 15 1HB ALA 15 -14.554 -0.548 3.107 117 2HB ALA 15 2HB ALA 15 -16.089 0.258 2.779 118 3HB ALA 15 3HB ALA 15 -14.586 0.931 2.148 119 H LEU 16 H LEU 16 -14.255 -3.077 0.657 120 HA LEU 16 HA LEU 16 -11.571 -2.159 0.192 121 1HB LEU 16 1HB LEU 16 -10.949 -4.434 0.054 122 2HB LEU 16 2HB LEU 16 -12.115 -4.283 1.347 123 HG LEU 16 HG LEU 16 -12.672 -6.289 0.298 124 1HD1 LEU 16 1HD1 LEU 16 -14.822 -5.928 -0.832 125 2HD1 LEU 16 2HD1 LEU 16 -14.466 -4.203 -0.920 126 3HD1 LEU 16 3HD1 LEU 16 -14.658 -4.984 0.649 127 1HD2 LEU 16 1HD2 LEU 16 -12.761 -6.696 -2.047 128 2HD2 LEU 16 2HD2 LEU 16 -11.225 -5.907 -1.691 129 3HD2 LEU 16 3HD2 LEU 16 -12.544 -4.985 -2.411 130 H SER 17 H SER 17 -14.305 -2.528 -1.739 131 HA SER 17 HA SER 17 -13.329 -3.431 -4.170 132 1HB SER 17 1HB SER 17 -15.436 -1.343 -3.600 133 2HB SER 17 2HB SER 17 -15.157 -2.056 -5.188 134 HG SER 17 HG SER 17 -16.697 -2.993 -3.315 135 H ARG 18 H ARG 18 -13.444 -0.074 -2.987 136 HA ARG 18 HA ARG 18 -10.989 0.639 -4.167 137 1HB ARG 18 1HB ARG 18 -12.503 0.368 -6.205 138 2HB ARG 18 2HB ARG 18 -13.360 1.791 -5.631 139 1HG ARG 18 1HG ARG 18 -11.789 2.436 -7.313 140 2HG ARG 18 2HG ARG 18 -11.254 3.065 -5.756 141 1HD ARG 18 1HD ARG 18 -9.650 1.246 -5.552 142 2HD ARG 18 2HD ARG 18 -10.214 0.560 -7.075 143 HE ARG 18 HE ARG 18 -9.438 3.149 -7.638 144 1HH1 ARG 18 1HH1 ARG 18 -7.936 0.257 -6.399 145 2HH1 ARG 18 2HH1 ARG 18 -6.374 0.640 -7.043 146 1HH2 ARG 18 1HH2 ARG 18 -7.384 3.658 -8.486 147 2HH2 ARG 18 2HH2 ARG 18 -6.060 2.572 -8.226 148 H MET 19 H MET 19 -12.535 0.952 -1.713 149 HA MET 19 HA MET 19 -12.887 3.866 -1.596 150 1HB MET 19 1HB MET 19 -13.615 2.094 0.691 151 2HB MET 19 2HB MET 19 -14.378 3.579 0.138 152 1HG MET 19 1HG MET 19 -14.608 0.840 -1.086 153 2HG MET 19 2HG MET 19 -15.866 1.759 -0.259 154 1HE MET 19 1HE MET 19 -15.340 4.748 -1.527 155 2HE MET 19 2HE MET 19 -16.879 3.980 -1.138 156 3HE MET 19 3HE MET 19 -16.610 4.654 -2.746 157 H GLY 20 H GLY 20 -11.255 1.164 0.013 158 1HA GLY 20 1HA GLY 20 -9.312 1.112 1.242 159 2HA GLY 20 2HA GLY 20 -8.981 2.736 0.658 160 H ASP 21 H ASP 21 -8.190 2.233 3.135 161 HA ASP 21 HA ASP 21 -8.256 3.036 5.256 162 1HB ASP 21 1HB ASP 21 -10.477 4.713 4.089 163 2HB ASP 21 2HB ASP 21 -9.932 4.880 5.755 164 H GLU 22 H GLU 22 -11.728 3.126 4.523 165 HA GLU 22 HA GLU 22 -12.621 2.092 6.921 166 1HB GLU 22 1HB GLU 22 -14.123 1.338 4.463 167 2HB GLU 22 2HB GLU 22 -14.710 2.029 5.968 168 1HG GLU 22 1HG GLU 22 -13.205 3.520 3.831 169 2HG GLU 22 2HG GLU 22 -14.948 3.564 4.084 170 H ALA 23 H ALA 23 -11.766 0.357 3.949 171 HA ALA 23 HA ALA 23 -12.094 -2.192 5.376 172 1HB ALA 23 1HB ALA 23 -11.900 -1.663 2.414 173 2HB ALA 23 2HB ALA 23 -13.375 -2.004 3.318 174 3HB ALA 23 3HB ALA 23 -12.129 -3.242 3.165 175 H PHE 24 H PHE 24 -9.729 -0.250 5.434 176 HA PHE 24 HA PHE 24 -7.569 -1.421 4.061 177 1HB PHE 24 1HB PHE 24 -7.798 0.873 5.355 178 2HB PHE 24 2HB PHE 24 -7.145 -0.070 6.693 179 HD1 PHE 24 HD1 PHE 24 -5.164 -1.757 5.617 180 HD2 PHE 24 HD2 PHE 24 -6.186 2.189 4.406 181 HE1 PHE 24 HE1 PHE 24 -2.903 -1.450 4.726 182 HE2 PHE 24 HE2 PHE 24 -3.925 2.505 3.516 183 HZ PHE 24 HZ PHE 24 -2.273 0.684 3.670 184 H GLU 25 H GLU 25 -8.685 -1.786 7.407 185 HA GLU 25 HA GLU 25 -6.760 -3.682 8.181 186 1HB GLU 25 1HB GLU 25 -9.393 -2.800 9.245 187 2HB GLU 25 2HB GLU 25 -8.687 -4.284 9.854 188 1HG GLU 25 1HG GLU 25 -6.673 -3.071 10.508 189 2HG GLU 25 2HG GLU 25 -7.375 -1.578 9.884 190 HA PRO 26 HA PRO 26 -10.468 -6.977 7.330 191 1HB PRO 26 1HB PRO 26 -11.157 -5.539 4.789 192 2HB PRO 26 2HB PRO 26 -12.170 -6.582 5.795 193 1HG PRO 26 1HG PRO 26 -12.392 -3.929 5.923 194 2HG PRO 26 2HG PRO 26 -12.532 -4.932 7.377 195 1HD PRO 26 1HD PRO 26 -10.338 -3.134 6.533 196 2HD PRO 26 2HD PRO 26 -10.810 -3.654 8.160 197 H LEU 27 H LEU 27 -8.348 -5.222 5.229 198 HA LEU 27 HA LEU 27 -7.774 -7.356 3.412 199 1HB LEU 27 1HB LEU 27 -6.508 -4.707 4.048 200 2HB LEU 27 2HB LEU 27 -5.822 -5.797 2.852 201 HG LEU 27 HG LEU 27 -8.600 -4.614 2.718 202 1HD1 LEU 27 1HD1 LEU 27 -6.062 -3.863 1.279 203 2HD1 LEU 27 2HD1 LEU 27 -6.967 -2.873 2.425 204 3HD1 LEU 27 3HD1 LEU 27 -7.669 -3.274 0.857 205 1HD2 LEU 27 1HD2 LEU 27 -8.479 -6.753 1.597 206 2HD2 LEU 27 2HD2 LEU 27 -7.018 -6.257 0.745 207 3HD2 LEU 27 3HD2 LEU 27 -8.552 -5.460 0.399 208 H LEU 28 H LEU 28 -5.880 -5.724 5.944 209 HA LEU 28 HA LEU 28 -3.725 -7.527 5.947 210 1HB LEU 28 1HB LEU 28 -3.381 -5.384 6.884 211 2HB LEU 28 2HB LEU 28 -4.758 -5.543 7.955 212 HG LEU 28 HG LEU 28 -3.514 -7.290 9.223 213 1HD1 LEU 28 1HD1 LEU 28 -1.035 -7.349 8.860 214 2HD1 LEU 28 2HD1 LEU 28 -1.308 -6.518 7.329 215 3HD1 LEU 28 3HD1 LEU 28 -1.994 -8.119 7.598 216 1HD2 LEU 28 1HD2 LEU 28 -2.081 -4.649 8.993 217 2HD2 LEU 28 2HD2 LEU 28 -2.054 -5.746 10.374 218 3HD2 LEU 28 3HD2 LEU 28 -3.552 -4.932 9.924 219 H GLU 29 H GLU 29 -6.858 -7.677 7.390 220 HA GLU 29 HA GLU 29 -6.206 -9.599 9.401 221 1HB GLU 29 1HB GLU 29 -8.852 -8.732 8.235 222 2HB GLU 29 2HB GLU 29 -8.697 -9.868 9.566 223 1HG GLU 29 1HG GLU 29 -7.555 -8.131 10.882 224 2HG GLU 29 2HG GLU 29 -7.797 -6.995 9.555 225 H SER 30 H SER 30 -7.734 -9.755 6.204 226 HA SER 30 HA SER 30 -8.248 -12.518 6.219 227 1HB SER 30 1HB SER 30 -8.530 -12.300 3.799 228 2HB SER 30 2HB SER 30 -9.299 -10.948 4.632 229 HG SER 30 HG SER 30 -6.894 -10.986 3.158 230 H LEU 31 H LEU 31 -5.308 -10.830 5.991 231 HA LEU 31 HA LEU 31 -3.827 -12.538 4.310 232 1HB LEU 31 1HB LEU 31 -3.037 -10.683 6.540 233 2HB LEU 31 2HB LEU 31 -1.849 -11.629 5.664 234 HG LEU 31 HG LEU 31 -3.711 -9.608 4.409 235 1HD1 LEU 31 1HD1 LEU 31 -2.056 -8.562 5.871 236 2HD1 LEU 31 2HD1 LEU 31 -1.729 -8.217 4.174 237 3HD1 LEU 31 3HD1 LEU 31 -0.767 -9.423 5.029 238 1HD2 LEU 31 1HD2 LEU 31 -2.195 -9.880 2.460 239 2HD2 LEU 31 2HD2 LEU 31 -3.127 -11.329 2.836 240 3HD2 LEU 31 3HD2 LEU 31 -1.427 -11.231 3.295 241 H SER 32 H SER 32 -5.196 -13.119 7.315 242 HA SER 32 HA SER 32 -3.213 -15.121 8.088 243 1HB SER 32 1HB SER 32 -4.105 -13.600 9.828 244 2HB SER 32 2HB SER 32 -5.725 -14.227 9.527 245 HG SER 32 HG SER 32 -4.352 -15.168 11.313 246 H ASN 33 H ASN 33 -5.079 -15.338 5.735 247 HA ASN 33 HA ASN 33 -6.841 -17.520 6.511 248 1HB ASN 33 1HB ASN 33 -7.856 -17.300 4.416 249 2HB ASN 33 2HB ASN 33 -7.398 -15.649 4.820 250 1HD2 ASN 33 1HD2 ASN 33 -5.245 -14.955 3.967 251 2HD2 ASN 33 2HD2 ASN 33 -4.830 -15.470 2.372 252 H GLU 34 H GLU 34 -6.715 -19.626 5.699 253 HA GLU 34 HA GLU 34 -4.107 -20.688 5.504 254 1HB GLU 34 1HB GLU 34 -6.722 -22.017 4.777 255 2HB GLU 34 2HB GLU 34 -5.200 -22.831 5.112 256 1HG GLU 34 1HG GLU 34 -6.827 -21.219 7.065 257 2HG GLU 34 2HG GLU 34 -6.687 -22.976 7.012 258 H ASP 35 H ASP 35 -6.416 -19.664 3.098 259 HA ASP 35 HA ASP 35 -5.112 -21.002 0.914 260 1HB ASP 35 1HB ASP 35 -7.179 -18.791 0.916 261 2HB ASP 35 2HB ASP 35 -6.646 -19.677 -0.510 262 H TRP 36 H TRP 36 -4.264 -19.781 -0.974 263 HA TRP 36 HA TRP 36 -2.551 -17.582 -0.036 264 1HB TRP 36 1HB TRP 36 -2.153 -19.212 -2.546 265 2HB TRP 36 2HB TRP 36 -0.975 -18.204 -1.710 266 HD1 TRP 36 HD1 TRP 36 -1.421 -19.362 1.238 267 HE1 TRP 36 HE1 TRP 36 -0.560 -21.726 1.797 268 HE3 TRP 36 HE3 TRP 36 -1.139 -21.272 -3.495 269 HZ2 TRP 36 HZ2 TRP 36 0.142 -24.078 0.422 270 HZ3 TRP 36 HZ3 TRP 36 -0.364 -23.589 -3.786 271 HH2 TRP 36 HH2 TRP 36 0.262 -24.958 -1.863 272 H ARG 37 H ARG 37 -5.025 -18.437 -2.274 273 HA ARG 37 HA ARG 37 -4.734 -16.417 -4.190 274 1HB ARG 37 1HB ARG 37 -7.294 -17.682 -3.201 275 2HB ARG 37 2HB ARG 37 -7.099 -16.798 -4.708 276 1HG ARG 37 1HG ARG 37 -5.472 -18.506 -5.450 277 2HG ARG 37 2HG ARG 37 -5.807 -19.417 -3.975 278 1HD ARG 37 1HD ARG 37 -7.784 -18.706 -6.141 279 2HD ARG 37 2HD ARG 37 -7.108 -20.303 -5.822 280 HE ARG 37 HE ARG 37 -8.490 -19.149 -3.576 281 1HH1 ARG 37 1HH1 ARG 37 -8.823 -21.048 -6.481 282 2HH1 ARG 37 2HH1 ARG 37 -10.281 -21.823 -5.959 283 1HH2 ARG 37 1HH2 ARG 37 -10.414 -20.165 -2.888 284 2HH2 ARG 37 2HH2 ARG 37 -11.185 -21.319 -3.923 285 H ILE 38 H ILE 38 -6.364 -16.424 -1.058 286 HA ILE 38 HA ILE 38 -7.459 -13.787 -1.402 287 HB ILE 38 HB ILE 38 -7.187 -15.308 1.185 288 1HG1 ILE 38 1HG1 ILE 38 -9.448 -15.401 -0.828 289 2HG1 ILE 38 2HG1 ILE 38 -8.301 -16.701 -0.524 290 1HG2 ILE 38 1HG2 ILE 38 -9.087 -13.144 0.293 291 2HG2 ILE 38 2HG2 ILE 38 -7.756 -12.961 1.435 292 3HG2 ILE 38 3HG2 ILE 38 -9.139 -13.973 1.848 293 1HD1 ILE 38 1HD1 ILE 38 -9.132 -16.868 1.779 294 2HD1 ILE 38 2HD1 ILE 38 -10.395 -17.150 0.581 295 3HD1 ILE 38 3HD1 ILE 38 -10.312 -15.605 1.427 296 H ARG 39 H ARG 39 -4.794 -15.199 0.477 297 HA ARG 39 HA ARG 39 -4.002 -12.870 1.806 298 1HB ARG 39 1HB ARG 39 -3.229 -15.180 2.342 299 2HB ARG 39 2HB ARG 39 -2.212 -15.132 0.909 300 1HG ARG 39 1HG ARG 39 -1.000 -13.220 1.852 301 2HG ARG 39 2HG ARG 39 -2.002 -13.316 3.300 302 1HD ARG 39 1HD ARG 39 -0.170 -15.481 2.276 303 2HD ARG 39 2HD ARG 39 0.171 -14.396 3.625 304 HE ARG 39 HE ARG 39 -2.269 -15.791 4.027 305 1HH1 ARG 39 1HH1 ARG 39 1.192 -16.197 4.133 306 2HH1 ARG 39 2HH1 ARG 39 1.136 -17.457 5.318 307 1HH2 ARG 39 1HH2 ARG 39 -2.349 -17.453 5.585 308 2HH2 ARG 39 2HH2 ARG 39 -0.876 -18.173 6.143 309 H GLY 40 H GLY 40 -3.054 -14.148 -1.358 310 1HA GLY 40 1HA GLY 40 -1.017 -12.264 -1.877 311 2HA GLY 40 2HA GLY 40 -1.870 -13.206 -3.086 312 H ALA 41 H ALA 41 -4.264 -12.377 -3.350 313 HA ALA 41 HA ALA 41 -4.228 -9.950 -4.619 314 1HB ALA 41 1HB ALA 41 -6.629 -11.194 -3.285 315 2HB ALA 41 2HB ALA 41 -6.001 -11.638 -4.873 316 3HB ALA 41 3HB ALA 41 -6.649 -10.019 -4.601 317 H ALA 42 H ALA 42 -4.510 -10.577 -1.226 318 HA ALA 42 HA ALA 42 -5.699 -8.164 -0.405 319 1HB ALA 42 1HB ALA 42 -4.784 -8.662 1.800 320 2HB ALA 42 2HB ALA 42 -3.739 -9.895 1.097 321 3HB ALA 42 3HB ALA 42 -5.489 -10.104 1.067 322 H ALA 43 H ALA 43 -2.247 -9.089 -0.493 323 HA ALA 43 HA ALA 43 -1.299 -6.495 0.147 324 1HB ALA 43 1HB ALA 43 0.173 -8.727 -1.241 325 2HB ALA 43 2HB ALA 43 0.015 -8.545 0.506 326 3HB ALA 43 3HB ALA 43 0.894 -7.336 -0.431 327 H TRP 44 H TRP 44 -2.369 -7.977 -2.759 328 HA TRP 44 HA TRP 44 -0.984 -6.560 -4.702 329 1HB TRP 44 1HB TRP 44 -3.465 -8.109 -4.553 330 2HB TRP 44 2HB TRP 44 -3.480 -6.880 -5.810 331 HD1 TRP 44 HD1 TRP 44 -1.618 -10.065 -4.766 332 HE1 TRP 44 HE1 TRP 44 -0.341 -10.974 -6.805 333 HE3 TRP 44 HE3 TRP 44 -2.470 -6.230 -8.039 334 HZ2 TRP 44 HZ2 TRP 44 0.232 -10.179 -9.448 335 HZ3 TRP 44 HZ3 TRP 44 -1.526 -6.385 -10.306 336 HH2 TRP 44 HH2 TRP 44 -0.206 -8.320 -10.996 337 H ILE 45 H ILE 45 -4.027 -5.701 -3.058 338 HA ILE 45 HA ILE 45 -3.956 -3.070 -4.348 339 HB ILE 45 HB ILE 45 -6.147 -4.405 -2.755 340 1HG1 ILE 45 1HG1 ILE 45 -7.274 -4.158 -5.096 341 2HG1 ILE 45 2HG1 ILE 45 -5.619 -4.029 -5.684 342 1HG2 ILE 45 1HG2 ILE 45 -6.134 -1.747 -4.177 343 2HG2 ILE 45 2HG2 ILE 45 -6.256 -2.011 -2.437 344 3HG2 ILE 45 3HG2 ILE 45 -7.562 -2.531 -3.501 345 1HD1 ILE 45 1HD1 ILE 45 -6.754 -6.334 -4.121 346 2HD1 ILE 45 2HD1 ILE 45 -5.106 -6.209 -4.738 347 3HD1 ILE 45 3HD1 ILE 45 -6.463 -6.300 -5.860 348 H ILE 46 H ILE 46 -3.353 -4.564 -1.306 349 HA ILE 46 HA ILE 46 -4.012 -2.553 0.485 350 HB ILE 46 HB ILE 46 -3.043 -4.976 0.856 351 1HG1 ILE 46 1HG1 ILE 46 -2.557 -2.669 2.749 352 2HG1 ILE 46 2HG1 ILE 46 -4.074 -3.538 2.556 353 1HG2 ILE 46 1HG2 ILE 46 -0.758 -4.985 1.662 354 2HG2 ILE 46 2HG2 ILE 46 -0.592 -3.271 1.283 355 3HG2 ILE 46 3HG2 ILE 46 -0.804 -4.445 -0.016 356 1HD1 ILE 46 1HD1 ILE 46 -2.982 -5.581 3.363 357 2HD1 ILE 46 2HD1 ILE 46 -2.920 -4.272 4.544 358 3HD1 ILE 46 3HD1 ILE 46 -1.488 -4.673 3.596 359 H GLY 47 H GLY 47 -1.061 -2.860 -1.473 360 1HA GLY 47 1HA GLY 47 0.271 -0.682 -0.164 361 2HA GLY 47 2HA GLY 47 0.771 -1.465 -1.652 362 H ASN 48 H ASN 48 -2.216 -0.763 -2.451 363 HA ASN 48 HA ASN 48 -1.482 1.495 -4.013 364 1HB ASN 48 1HB ASN 48 -4.021 -0.042 -3.606 365 2HB ASN 48 2HB ASN 48 -4.049 1.483 -4.484 366 1HD2 ASN 48 1HD2 ASN 48 -2.661 -1.741 -4.417 367 2HD2 ASN 48 2HD2 ASN 48 -2.306 -1.823 -6.105 368 H PHE 49 H PHE 49 -2.534 1.299 -0.795 369 HA PHE 49 HA PHE 49 -3.822 3.918 -0.886 370 1HB PHE 49 1HB PHE 49 -3.465 2.060 1.467 371 2HB PHE 49 2HB PHE 49 -4.486 3.492 1.408 372 HD1 PHE 49 HD1 PHE 49 -4.865 0.238 1.706 373 HD2 PHE 49 HD2 PHE 49 -5.845 3.247 -1.142 374 HE1 PHE 49 HE1 PHE 49 -6.737 -1.138 0.899 375 HE2 PHE 49 HE2 PHE 49 -7.719 1.875 -1.952 376 HZ PHE 49 HZ PHE 49 -8.167 -0.321 -0.932 377 H GLN 50 H GLN 50 -0.732 2.786 -0.588 378 HA GLN 50 HA GLN 50 1.219 3.585 0.295 379 1HB GLN 50 1HB GLN 50 -0.312 5.944 -0.663 380 2HB GLN 50 2HB GLN 50 1.135 6.256 0.286 381 1HG GLN 50 1HG GLN 50 2.088 6.215 -1.752 382 2HG GLN 50 2HG GLN 50 2.147 4.488 -1.412 383 1HE2 GLN 50 1HE2 GLN 50 0.772 3.094 -2.490 384 2HE2 GLN 50 2HE2 GLN 50 -0.111 3.566 -3.898 385 H ASP 51 H ASP 51 -0.046 2.679 2.394 386 HA ASP 51 HA ASP 51 0.270 4.803 4.408 387 1HB ASP 51 1HB ASP 51 -2.142 4.055 3.970 388 2HB ASP 51 2HB ASP 51 -1.683 2.532 4.724 389 H GLU 52 H GLU 52 1.090 4.164 6.436 390 HA GLU 52 HA GLU 52 3.150 2.274 6.371 391 1HB GLU 52 1HB GLU 52 3.231 2.617 8.844 392 2HB GLU 52 2HB GLU 52 3.236 4.112 7.918 393 1HG GLU 52 1HG GLU 52 0.747 4.220 8.318 394 2HG GLU 52 2HG GLU 52 0.969 2.905 9.471 395 H ARG 53 H ARG 53 -0.206 1.945 7.041 396 HA ARG 53 HA ARG 53 -0.161 -0.406 8.607 397 1HB ARG 53 1HB ARG 53 -2.091 1.325 7.796 398 2HB ARG 53 2HB ARG 53 -2.414 -0.031 6.731 399 1HG ARG 53 1HG ARG 53 -2.428 -0.025 9.737 400 2HG ARG 53 2HG ARG 53 -3.802 -0.230 8.652 401 1HD ARG 53 1HD ARG 53 -3.384 -2.404 9.282 402 2HD ARG 53 2HD ARG 53 -2.454 -2.289 7.789 403 HE ARG 53 HE ARG 53 -0.486 -2.353 9.029 404 1HH1 ARG 53 1HH1 ARG 53 -3.285 -2.288 11.101 405 2HH1 ARG 53 2HH1 ARG 53 -2.404 -2.735 12.524 406 1HH2 ARG 53 1HH2 ARG 53 0.684 -2.948 10.892 407 2HH2 ARG 53 2HH2 ARG 53 -0.147 -3.124 12.402 408 H ALA 54 H ALA 54 0.076 0.196 5.184 409 HA ALA 54 HA ALA 54 -0.094 -2.669 4.584 410 1HB ALA 54 1HB ALA 54 -0.198 -1.886 2.212 411 2HB ALA 54 2HB ALA 54 -0.218 -0.233 2.825 412 3HB ALA 54 3HB ALA 54 -1.530 -1.339 3.231 413 H VAL 55 H VAL 55 2.305 -1.468 5.852 414 HA VAL 55 HA VAL 55 4.248 -1.540 3.684 415 HB VAL 55 HB VAL 55 4.401 0.181 5.505 416 1HG1 VAL 55 1HG1 VAL 55 5.287 -0.374 7.645 417 2HG1 VAL 55 2HG1 VAL 55 5.476 -2.067 7.189 418 3HG1 VAL 55 3HG1 VAL 55 3.863 -1.380 7.375 419 1HG2 VAL 55 1HG2 VAL 55 6.275 -0.257 4.058 420 2HG2 VAL 55 2HG2 VAL 55 6.769 -1.625 5.057 421 3HG2 VAL 55 3HG2 VAL 55 6.855 0.014 5.701 422 H GLU 56 H GLU 56 3.777 -3.241 6.798 423 HA GLU 56 HA GLU 56 5.786 -5.148 6.393 424 1HB GLU 56 1HB GLU 56 4.617 -4.622 8.567 425 2HB GLU 56 2HB GLU 56 3.277 -5.609 7.996 426 1HG GLU 56 1HG GLU 56 5.102 -7.420 7.648 427 2HG GLU 56 2HG GLU 56 6.035 -6.432 8.771 428 HA PRO 57 HA PRO 57 1.935 -8.050 4.937 429 1HB PRO 57 1HB PRO 57 0.888 -5.839 3.218 430 2HB PRO 57 2HB PRO 57 0.026 -7.192 3.957 431 1HG PRO 57 1HG PRO 57 -0.097 -4.745 5.012 432 2HG PRO 57 2HG PRO 57 -0.042 -6.190 6.036 433 1HD PRO 57 1HD PRO 57 2.055 -4.163 5.516 434 2HD PRO 57 2HD PRO 57 1.811 -5.200 6.934 435 H LEU 58 H LEU 58 3.443 -5.467 3.048 436 HA LEU 58 HA LEU 58 3.651 -7.006 0.667 437 1HB LEU 58 1HB LEU 58 5.341 -4.630 1.425 438 2HB LEU 58 2HB LEU 58 4.995 -5.220 -0.189 439 HG LEU 58 HG LEU 58 3.063 -3.873 1.695 440 1HD1 LEU 58 1HD1 LEU 58 4.591 -2.351 0.593 441 2HD1 LEU 58 2HD1 LEU 58 2.967 -2.179 -0.075 442 3HD1 LEU 58 3HD1 LEU 58 4.200 -3.064 -0.973 443 1HD2 LEU 58 1HD2 LEU 58 1.873 -5.611 0.526 444 2HD2 LEU 58 2HD2 LEU 58 2.579 -5.107 -1.010 445 3HD2 LEU 58 3HD2 LEU 58 1.448 -4.046 -0.169 446 H ILE 59 H ILE 59 5.945 -6.167 3.233 447 HA ILE 59 HA ILE 59 8.214 -7.381 2.161 448 HB ILE 59 HB ILE 59 7.586 -7.192 5.100 449 1HG1 ILE 59 1HG1 ILE 59 8.824 -5.064 3.344 450 2HG1 ILE 59 2HG1 ILE 59 7.152 -5.041 3.892 451 1HG2 ILE 59 1HG2 ILE 59 10.019 -6.946 5.317 452 2HG2 ILE 59 2HG2 ILE 59 10.188 -7.151 3.574 453 3HG2 ILE 59 3HG2 ILE 59 9.576 -8.477 4.564 454 1HD1 ILE 59 1HD1 ILE 59 8.499 -3.595 5.266 455 2HD1 ILE 59 2HD1 ILE 59 9.605 -4.919 5.627 456 3HD1 ILE 59 3HD1 ILE 59 7.944 -4.973 6.217 457 H LYS 60 H LYS 60 5.839 -8.707 4.445 458 HA LYS 60 HA LYS 60 7.145 -11.211 4.723 459 1HB LYS 60 1HB LYS 60 5.004 -11.895 5.825 460 2HB LYS 60 2HB LYS 60 5.747 -10.449 6.493 461 1HG LYS 60 1HG LYS 60 3.701 -9.569 6.332 462 2HG LYS 60 2HG LYS 60 4.082 -9.389 4.619 463 1HD LYS 60 1HD LYS 60 1.969 -10.443 4.706 464 2HD LYS 60 2HD LYS 60 3.127 -11.712 4.298 465 1HE LYS 60 1HE LYS 60 1.598 -12.546 5.959 466 2HE LYS 60 2HE LYS 60 3.192 -12.358 6.688 467 1HZ LYS 60 1HZ LYS 60 1.495 -11.531 8.164 468 2HZ LYS 60 2HZ LYS 60 0.906 -10.484 6.973 469 3HZ LYS 60 3HZ LYS 60 2.446 -10.240 7.625 470 H LEU 61 H LEU 61 4.814 -10.032 2.396 471 HA LEU 61 HA LEU 61 4.126 -12.740 1.586 472 1HB LEU 61 1HB LEU 61 2.415 -10.937 1.706 473 2HB LEU 61 2HB LEU 61 3.209 -10.157 0.350 474 HG LEU 61 HG LEU 61 2.822 -12.287 -0.956 475 1HD1 LEU 61 1HD1 LEU 61 0.999 -13.736 -0.141 476 2HD1 LEU 61 2HD1 LEU 61 1.029 -12.872 1.397 477 3HD1 LEU 61 3HD1 LEU 61 2.435 -13.803 0.881 478 1HD2 LEU 61 1HD2 LEU 61 0.549 -11.706 -1.519 479 2HD2 LEU 61 2HD2 LEU 61 1.481 -10.237 -1.229 480 3HD2 LEU 61 3HD2 LEU 61 0.364 -10.829 -0.000 481 H LEU 62 H LEU 62 6.156 -10.124 0.414 482 HA LEU 62 HA LEU 62 6.405 -11.108 -2.248 483 1HB LEU 62 1HB LEU 62 8.400 -9.626 -2.360 484 2HB LEU 62 2HB LEU 62 6.927 -8.822 -1.847 485 HG LEU 62 HG LEU 62 7.811 -9.227 0.552 486 1HD1 LEU 62 1HD1 LEU 62 10.368 -9.463 -1.028 487 2HD1 LEU 62 2HD1 LEU 62 9.632 -10.729 -0.048 488 3HD1 LEU 62 3HD1 LEU 62 10.248 -9.270 0.719 489 1HD2 LEU 62 1HD2 LEU 62 9.128 -7.241 -1.295 490 2HD2 LEU 62 2HD2 LEU 62 9.051 -7.122 0.462 491 3HD2 LEU 62 3HD2 LEU 62 7.572 -7.038 -0.492 492 H GLU 63 H GLU 63 7.463 -12.301 0.664 493 HA GLU 63 HA GLU 63 9.680 -13.772 -0.600 494 1HB GLU 63 1HB GLU 63 10.511 -14.159 1.684 495 2HB GLU 63 2HB GLU 63 10.400 -12.446 1.307 496 1HG GLU 63 1HG GLU 63 8.360 -12.263 2.586 497 2HG GLU 63 2HG GLU 63 8.370 -13.999 2.896 498 H ASP 64 H ASP 64 6.522 -14.049 0.073 499 HA ASP 64 HA ASP 64 6.256 -16.492 1.433 500 1HB ASP 64 1HB ASP 64 4.457 -14.720 0.864 501 2HB ASP 64 2HB ASP 64 4.313 -15.587 -0.662 502 H ASP 65 H ASP 65 6.878 -15.688 -1.840 503 HA ASP 65 HA ASP 65 7.455 -16.891 -3.672 504 1HB ASP 65 1HB ASP 65 9.115 -17.781 -1.979 505 2HB ASP 65 2HB ASP 65 8.046 -19.166 -1.778 506 H SER 66 H SER 66 4.655 -17.087 -2.557 507 HA SER 66 HA SER 66 3.814 -19.762 -3.269 508 1HB SER 66 1HB SER 66 2.703 -17.851 -1.664 509 2HB SER 66 2HB SER 66 1.746 -17.664 -3.130 510 HG SER 66 HG SER 66 1.877 -20.220 -2.784 511 H GLY 67 H GLY 67 4.342 -16.782 -4.857 512 1HA GLY 67 1HA GLY 67 4.552 -17.139 -7.335 513 2HA GLY 67 2HA GLY 67 2.904 -17.746 -7.252 514 H PHE 68 H PHE 68 1.293 -16.316 -7.595 515 HA PHE 68 HA PHE 68 1.822 -13.709 -8.428 516 1HB PHE 68 1HB PHE 68 -0.423 -13.521 -8.827 517 2HB PHE 68 2HB PHE 68 -0.327 -15.267 -8.654 518 HD1 PHE 68 HD1 PHE 68 -1.475 -12.141 -7.139 519 HD2 PHE 68 HD2 PHE 68 -1.243 -16.377 -6.698 520 HE1 PHE 68 HE1 PHE 68 -3.175 -12.055 -5.367 521 HE2 PHE 68 HE2 PHE 68 -2.939 -16.288 -4.922 522 HZ PHE 68 HZ PHE 68 -3.907 -14.126 -4.255 523 H VAL 69 H VAL 69 1.423 -15.026 -5.275 524 HA VAL 69 HA VAL 69 0.740 -12.641 -3.903 525 HB VAL 69 HB VAL 69 1.175 -13.798 -1.906 526 1HG1 VAL 69 1HG1 VAL 69 0.322 -15.864 -3.920 527 2HG1 VAL 69 2HG1 VAL 69 -0.729 -14.681 -3.142 528 3HG1 VAL 69 3HG1 VAL 69 0.045 -15.940 -2.180 529 1HG2 VAL 69 1HG2 VAL 69 3.442 -14.510 -2.337 530 2HG2 VAL 69 2HG2 VAL 69 2.864 -15.725 -3.478 531 3HG2 VAL 69 3HG2 VAL 69 2.476 -15.868 -1.763 532 H ARG 70 H ARG 70 3.726 -14.211 -4.798 533 HA ARG 70 HA ARG 70 5.507 -12.622 -3.335 534 1HB ARG 70 1HB ARG 70 5.692 -14.780 -5.063 535 2HB ARG 70 2HB ARG 70 6.558 -13.500 -5.904 536 1HG ARG 70 1HG ARG 70 7.818 -13.147 -3.730 537 2HG ARG 70 2HG ARG 70 7.127 -14.683 -3.207 538 1HD ARG 70 1HD ARG 70 9.059 -14.132 -5.422 539 2HD ARG 70 2HD ARG 70 9.186 -15.290 -4.102 540 HE ARG 70 HE ARG 70 7.118 -16.293 -5.412 541 1HH1 ARG 70 1HH1 ARG 70 10.129 -15.045 -6.647 542 2HH1 ARG 70 2HH1 ARG 70 10.138 -16.085 -8.033 543 1HH2 ARG 70 1HH2 ARG 70 7.117 -17.651 -7.247 544 2HH2 ARG 70 2HH2 ARG 70 8.426 -17.558 -8.377 545 H SER 71 H SER 71 4.511 -12.406 -6.741 546 HA SER 71 HA SER 71 5.877 -9.983 -7.264 547 1HB SER 71 1HB SER 71 3.563 -11.297 -8.699 548 2HB SER 71 2HB SER 71 4.453 -9.903 -9.313 549 HG SER 71 HG SER 71 5.306 -11.797 -10.184 550 H GLY 72 H GLY 72 2.584 -10.704 -6.240 551 1HA GLY 72 1HA GLY 72 1.372 -8.246 -6.621 552 2HA GLY 72 2HA GLY 72 0.970 -9.357 -5.322 553 H ALA 73 H ALA 73 2.771 -9.332 -3.534 554 HA ALA 73 HA ALA 73 2.656 -6.854 -2.266 555 1HB ALA 73 1HB ALA 73 4.467 -9.219 -1.823 556 2HB ALA 73 2HB ALA 73 2.967 -8.833 -0.978 557 3HB ALA 73 3HB ALA 73 4.395 -7.826 -0.746 558 H ALA 74 H ALA 74 5.093 -8.235 -4.387 559 HA ALA 74 HA ALA 74 7.200 -6.466 -3.848 560 1HB ALA 74 1HB ALA 74 8.130 -7.189 -5.977 561 2HB ALA 74 2HB ALA 74 6.578 -7.895 -6.428 562 3HB ALA 74 3HB ALA 74 7.489 -8.559 -5.071 563 H ARG 75 H ARG 75 4.896 -6.364 -6.584 564 HA ARG 75 HA ARG 75 5.770 -3.969 -7.671 565 1HB ARG 75 1HB ARG 75 3.452 -3.807 -8.650 566 2HB ARG 75 2HB ARG 75 4.306 -5.311 -8.963 567 1HG ARG 75 1HG ARG 75 3.041 -6.342 -7.087 568 2HG ARG 75 2HG ARG 75 2.106 -4.852 -6.963 569 1HD ARG 75 1HD ARG 75 1.031 -6.684 -8.308 570 2HD ARG 75 2HD ARG 75 1.206 -5.135 -9.141 571 HE ARG 75 HE ARG 75 3.268 -7.164 -9.561 572 1HH1 ARG 75 1HH1 ARG 75 0.498 -5.425 -10.766 573 2HH1 ARG 75 2HH1 ARG 75 0.792 -5.846 -12.420 574 1HH2 ARG 75 1HH2 ARG 75 3.654 -7.735 -11.734 575 2HH2 ARG 75 2HH2 ARG 75 2.581 -7.167 -12.969 576 H SER 76 H SER 76 3.562 -4.528 -4.995 577 HA SER 76 HA SER 76 2.436 -1.995 -4.785 578 1HB SER 76 1HB SER 76 3.151 -3.910 -2.553 579 2HB SER 76 2HB SER 76 2.031 -2.555 -2.419 580 HG SER 76 HG SER 76 1.279 -3.994 -4.503 581 H LEU 77 H LEU 77 5.578 -3.165 -3.736 582 HA LEU 77 HA LEU 77 6.301 -1.033 -2.065 583 1HB LEU 77 1HB LEU 77 7.814 -3.046 -3.660 584 2HB LEU 77 2HB LEU 77 8.692 -1.686 -2.991 585 HG LEU 77 HG LEU 77 7.612 -2.378 -0.743 586 1HD1 LEU 77 1HD1 LEU 77 7.145 -4.770 -0.562 587 2HD1 LEU 77 2HD1 LEU 77 7.331 -4.936 -2.308 588 3HD1 LEU 77 3HD1 LEU 77 6.013 -3.966 -1.650 589 1HD2 LEU 77 1HD2 LEU 77 9.732 -4.063 -2.064 590 2HD2 LEU 77 2HD2 LEU 77 9.445 -3.948 -0.328 591 3HD2 LEU 77 3HD2 LEU 77 9.986 -2.531 -1.229 592 H GLU 78 H GLU 78 7.313 -1.534 -5.455 593 HA GLU 78 HA GLU 78 8.314 1.075 -5.804 594 1HB GLU 78 1HB GLU 78 7.273 -0.822 -7.919 595 2HB GLU 78 2HB GLU 78 8.330 0.555 -8.195 596 1HG GLU 78 1HG GLU 78 10.097 -0.501 -6.937 597 2HG GLU 78 2HG GLU 78 9.039 -1.853 -6.535 598 H GLN 79 H GLN 79 5.169 -0.194 -5.752 599 HA GLN 79 HA GLN 79 3.848 1.714 -7.394 600 1HB GLN 79 1HB GLN 79 3.009 -0.568 -6.688 601 2HB GLN 79 2HB GLN 79 2.669 0.129 -5.114 602 1HG GLN 79 1HG GLN 79 1.100 1.682 -6.124 603 2HG GLN 79 2HG GLN 79 1.468 1.024 -7.721 604 1HE2 GLN 79 1HE2 GLN 79 1.279 -0.921 -4.844 605 2HE2 GLN 79 2HE2 GLN 79 -0.151 -1.784 -5.273 606 H ILE 80 H ILE 80 4.853 1.625 -4.065 607 HA ILE 80 HA ILE 80 3.282 3.929 -3.300 608 HB ILE 80 HB ILE 80 5.353 2.293 -1.841 609 1HG1 ILE 80 1HG1 ILE 80 2.391 2.664 -1.353 610 2HG1 ILE 80 2HG1 ILE 80 3.094 1.305 -2.223 611 1HG2 ILE 80 1HG2 ILE 80 5.626 4.495 -0.990 612 2HG2 ILE 80 2HG2 ILE 80 4.644 3.612 0.180 613 3HG2 ILE 80 3HG2 ILE 80 3.883 4.754 -0.926 614 1HD1 ILE 80 1HD1 ILE 80 3.576 2.007 0.664 615 2HD1 ILE 80 2HD1 ILE 80 4.313 0.658 -0.200 616 3HD1 ILE 80 3HD1 ILE 80 2.569 0.693 0.057 617 H GLY 81 H GLY 81 6.792 3.232 -3.339 618 1HA GLY 81 1HA GLY 81 8.579 4.576 -3.883 619 2HA GLY 81 2HA GLY 81 7.442 5.670 -4.656 620 H GLY 82 H GLY 82 9.748 5.574 -2.383 621 1HA GLY 82 1HA GLY 82 9.845 7.933 -1.340 622 2HA GLY 82 2HA GLY 82 8.370 7.411 -0.541 623 H GLU 83 H GLU 83 10.315 8.201 1.075 624 HA GLU 83 HA GLU 83 12.278 6.389 1.847 625 1HB GLU 83 1HB GLU 83 12.239 7.529 4.031 626 2HB GLU 83 2HB GLU 83 12.220 8.665 2.692 627 1HG GLU 83 1HG GLU 83 9.680 7.810 4.023 628 2HG GLU 83 2HG GLU 83 10.681 9.094 4.699 629 H ARG 84 H ARG 84 8.891 6.234 2.242 630 HA ARG 84 HA ARG 84 8.610 4.657 4.520 631 1HB ARG 84 1HB ARG 84 6.880 4.313 2.078 632 2HB ARG 84 2HB ARG 84 6.424 4.158 3.767 633 1HG ARG 84 1HG ARG 84 5.472 6.165 3.276 634 2HG ARG 84 2HG ARG 84 7.056 6.712 3.833 635 1HD ARG 84 1HD ARG 84 7.013 7.872 1.892 636 2HD ARG 84 2HD ARG 84 7.581 6.346 1.219 637 HE ARG 84 HE ARG 84 5.006 5.980 0.943 638 1HH1 ARG 84 1HH1 ARG 84 6.815 8.915 0.443 639 2HH1 ARG 84 2HH1 ARG 84 5.744 9.520 -0.776 640 1HH2 ARG 84 1HH2 ARG 84 3.591 6.771 -0.664 641 2HH2 ARG 84 2HH2 ARG 84 3.915 8.301 -1.407 642 H VAL 85 H VAL 85 8.497 3.571 1.147 643 HA VAL 85 HA VAL 85 8.856 0.833 1.810 644 HB VAL 85 HB VAL 85 9.315 2.116 -0.879 645 1HG1 VAL 85 1HG1 VAL 85 10.069 -0.224 -0.597 646 2HG1 VAL 85 2HG1 VAL 85 8.769 -0.049 -1.776 647 3HG1 VAL 85 3HG1 VAL 85 8.419 -0.671 -0.164 648 1HG2 VAL 85 1HG2 VAL 85 6.739 1.161 0.361 649 2HG2 VAL 85 2HG2 VAL 85 6.943 1.618 -1.331 650 3HG2 VAL 85 3HG2 VAL 85 7.156 2.823 -0.060 651 H ARG 86 H ARG 86 11.010 3.471 1.339 652 HA ARG 86 HA ARG 86 13.283 2.238 0.334 653 1HB ARG 86 1HB ARG 86 12.877 4.557 2.183 654 2HB ARG 86 2HB ARG 86 14.503 3.966 1.874 655 1HG ARG 86 1HG ARG 86 13.912 4.212 -0.608 656 2HG ARG 86 2HG ARG 86 12.558 5.192 -0.042 657 1HD ARG 86 1HD ARG 86 14.153 6.630 1.175 658 2HD ARG 86 2HD ARG 86 15.480 5.677 0.510 659 HE ARG 86 HE ARG 86 13.781 6.709 -1.532 660 1HH1 ARG 86 1HH1 ARG 86 16.379 7.532 0.635 661 2HH1 ARG 86 2HH1 ARG 86 16.985 8.808 -0.367 662 1HH2 ARG 86 1HH2 ARG 86 14.577 8.374 -2.868 663 2HH2 ARG 86 2HH2 ARG 86 15.962 9.284 -2.363 664 H ALA 87 H ALA 87 11.785 1.909 3.417 665 HA ALA 87 HA ALA 87 14.105 0.753 4.701 666 1HB ALA 87 1HB ALA 87 12.467 2.000 6.019 667 2HB ALA 87 2HB ALA 87 12.591 0.333 6.579 668 3HB ALA 87 3HB ALA 87 11.220 0.831 5.588 669 H ALA 88 H ALA 88 11.170 -0.350 3.125 670 HA ALA 88 HA ALA 88 11.458 -3.091 3.827 671 1HB ALA 88 1HB ALA 88 9.314 -1.999 3.163 672 2HB ALA 88 2HB ALA 88 9.655 -3.512 2.324 673 3HB ALA 88 3HB ALA 88 9.909 -1.971 1.502 674 H MET 89 H MET 89 12.448 -1.169 1.015 675 HA MET 89 HA MET 89 13.228 -3.347 -0.595 676 1HB MET 89 1HB MET 89 14.286 -1.749 -2.000 677 2HB MET 89 2HB MET 89 12.865 -0.949 -1.344 678 1HG MET 89 1HG MET 89 14.421 0.009 0.423 679 2HG MET 89 2HG MET 89 15.731 -0.561 -0.603 680 1HE MET 89 1HE MET 89 15.815 3.285 -1.230 681 2HE MET 89 2HE MET 89 16.756 1.861 -0.787 682 3HE MET 89 3HE MET 89 15.485 2.447 0.286 683 H GLU 90 H GLU 90 14.883 -1.411 1.830 684 HA GLU 90 HA GLU 90 17.451 -2.560 1.467 685 1HB GLU 90 1HB GLU 90 16.142 -1.037 3.711 686 2HB GLU 90 2HB GLU 90 17.757 -1.705 3.891 687 1HG GLU 90 1HG GLU 90 16.951 0.190 1.697 688 2HG GLU 90 2HG GLU 90 17.693 0.686 3.218 689 H LYS 91 H LYS 91 14.566 -3.493 3.117 690 HA LYS 91 HA LYS 91 15.730 -5.442 4.840 691 1HB LYS 91 1HB LYS 91 13.374 -4.261 4.883 692 2HB LYS 91 2HB LYS 91 12.900 -5.631 3.889 693 1HG LYS 91 1HG LYS 91 14.270 -5.968 6.537 694 2HG LYS 91 2HG LYS 91 12.518 -5.826 6.383 695 1HD LYS 91 1HD LYS 91 12.546 -7.766 4.838 696 2HD LYS 91 2HD LYS 91 14.277 -7.934 5.135 697 1HE LYS 91 1HE LYS 91 12.989 -9.477 6.517 698 2HE LYS 91 2HE LYS 91 13.849 -8.295 7.503 699 1HZ LYS 91 1HZ LYS 91 11.577 -8.637 8.270 700 2HZ LYS 91 2HZ LYS 91 10.975 -8.147 6.766 701 3HZ LYS 91 3HZ LYS 91 11.806 -7.045 7.745 702 H LEU 92 H LEU 92 14.224 -5.549 1.630 703 HA LEU 92 HA LEU 92 14.289 -8.361 1.344 704 1HB LEU 92 1HB LEU 92 14.486 -6.399 -0.927 705 2HB LEU 92 2HB LEU 92 13.835 -8.024 -0.966 706 HG LEU 92 HG LEU 92 12.584 -5.533 0.138 707 1HD1 LEU 92 1HD1 LEU 92 11.611 -7.694 -1.726 708 2HD1 LEU 92 2HD1 LEU 92 12.217 -6.111 -2.210 709 3HD1 LEU 92 3HD1 LEU 92 10.729 -6.234 -1.274 710 1HD2 LEU 92 1HD2 LEU 92 12.273 -7.071 1.921 711 2HD2 LEU 92 2HD2 LEU 92 11.903 -8.386 0.805 712 3HD2 LEU 92 3HD2 LEU 92 10.770 -7.048 0.997 713 H ALA 93 H ALA 93 16.582 -5.809 0.556 714 HA ALA 93 HA ALA 93 18.410 -7.240 -0.940 715 1HB ALA 93 1HB ALA 93 20.082 -5.613 -0.213 716 2HB ALA 93 2HB ALA 93 19.012 -5.087 1.087 717 3HB ALA 93 3HB ALA 93 18.551 -4.824 -0.595 718 H GLU 94 H GLU 94 17.800 -7.321 2.488 719 HA GLU 94 HA GLU 94 20.178 -8.852 3.086 720 1HB GLU 94 1HB GLU 94 17.912 -7.722 4.642 721 2HB GLU 94 2HB GLU 94 18.720 -9.131 5.315 722 1HG GLU 94 1HG GLU 94 20.872 -7.924 5.104 723 2HG GLU 94 2HG GLU 94 19.973 -6.493 4.603 724 H THR 95 H THR 95 16.907 -9.420 2.195 725 HA THR 95 HA THR 95 17.241 -12.307 2.683 726 HB THR 95 HB THR 95 14.709 -12.401 2.486 727 HG1 THR 95 HG1 THR 95 14.275 -9.871 3.275 728 1HG2 THR 95 1HG2 THR 95 15.777 -10.730 4.765 729 2HG2 THR 95 2HG2 THR 95 15.921 -12.484 4.652 730 3HG2 THR 95 3HG2 THR 95 14.328 -11.736 4.781 731 H GLY 96 H GLY 96 18.257 -10.801 0.424 732 1HA GLY 96 1HA GLY 96 16.799 -10.757 -1.872 733 2HA GLY 96 2HA GLY 96 18.500 -11.173 -1.825 734 H THR 97 H THR 97 15.308 -12.279 -2.251 735 HA THR 97 HA THR 97 16.303 -14.855 -3.178 736 HB THR 97 HB THR 97 14.003 -14.681 -1.219 737 HG1 THR 97 HG1 THR 97 15.641 -14.657 0.148 738 1HG2 THR 97 1HG2 THR 97 15.373 -17.065 -2.472 739 2HG2 THR 97 2HG2 THR 97 13.759 -16.474 -2.869 740 3HG2 THR 97 3HG2 THR 97 14.088 -17.130 -1.265 741 H GLY 98 H GLY 98 15.324 -15.451 -5.027 742 1HA GLY 98 1HA GLY 98 13.734 -15.557 -6.704 743 2HA GLY 98 2HA GLY 98 12.599 -14.770 -5.612 744 H PHE 99 H PHE 99 11.795 -13.309 -7.081 745 HA PHE 99 HA PHE 99 13.682 -11.501 -8.391 746 1HB PHE 99 1HB PHE 99 12.139 -11.250 -10.013 747 2HB PHE 99 2HB PHE 99 11.388 -12.672 -9.306 748 HD1 PHE 99 HD1 PHE 99 10.867 -9.395 -10.375 749 HD2 PHE 99 HD2 PHE 99 9.685 -12.134 -7.328 750 HE1 PHE 99 HE1 PHE 99 8.808 -8.098 -10.004 751 HE2 PHE 99 HE2 PHE 99 7.631 -10.837 -6.958 752 HZ PHE 99 HZ PHE 99 7.190 -8.817 -8.295 753 H ALA 100 H ALA 100 11.703 -11.678 -5.645 754 HA ALA 100 HA ALA 100 10.841 -9.061 -5.275 755 1HB ALA 100 1HB ALA 100 11.799 -10.965 -3.141 756 2HB ALA 100 2HB ALA 100 10.185 -10.962 -3.851 757 3HB ALA 100 3HB ALA 100 10.738 -9.577 -2.910 758 H ARG 101 H ARG 101 13.995 -10.485 -4.937 759 HA ARG 101 HA ARG 101 15.233 -8.405 -3.465 760 1HB ARG 101 1HB ARG 101 16.284 -10.574 -3.614 761 2HB ARG 101 2HB ARG 101 16.342 -10.464 -5.367 762 1HG ARG 101 1HG ARG 101 18.534 -10.076 -4.377 763 2HG ARG 101 2HG ARG 101 17.948 -8.643 -5.218 764 1HD ARG 101 1HD ARG 101 17.164 -7.764 -3.018 765 2HD ARG 101 2HD ARG 101 17.958 -9.138 -2.249 766 HE ARG 101 HE ARG 101 19.219 -6.795 -3.360 767 1HH1 ARG 101 1HH1 ARG 101 19.647 -10.106 -2.369 768 2HH1 ARG 101 2HH1 ARG 101 21.353 -9.943 -2.115 769 1HH2 ARG 101 1HH2 ARG 101 21.459 -6.570 -3.032 770 2HH2 ARG 101 2HH2 ARG 101 22.381 -7.929 -2.482 771 H LYS 102 H LYS 102 15.384 -9.207 -6.929 772 HA LYS 102 HA LYS 102 16.754 -7.021 -7.872 773 1HB LYS 102 1HB LYS 102 16.230 -8.805 -9.366 774 2HB LYS 102 2HB LYS 102 14.505 -8.618 -9.091 775 1HG LYS 102 1HG LYS 102 14.970 -7.739 -11.239 776 2HG LYS 102 2HG LYS 102 14.662 -6.365 -10.172 777 1HD LYS 102 1HD LYS 102 16.556 -5.850 -11.543 778 2HD LYS 102 2HD LYS 102 17.116 -6.113 -9.891 779 1HE LYS 102 1HE LYS 102 17.764 -8.408 -10.502 780 2HE LYS 102 2HE LYS 102 17.254 -8.096 -12.161 781 1HZ LYS 102 1HZ LYS 102 19.650 -7.842 -11.872 782 2HZ LYS 102 2HZ LYS 102 19.398 -6.625 -10.725 783 3HZ LYS 102 3HZ LYS 102 18.930 -6.381 -12.333 784 H VAL 103 H VAL 103 13.408 -7.316 -6.945 785 HA VAL 103 HA VAL 103 12.397 -4.920 -7.976 786 HB VAL 103 HB VAL 103 11.595 -6.616 -5.621 787 1HG1 VAL 103 1HG1 VAL 103 10.854 -4.417 -5.035 788 2HG1 VAL 103 2HG1 VAL 103 9.453 -5.303 -5.639 789 3HG1 VAL 103 3HG1 VAL 103 10.259 -4.119 -6.668 790 1HG2 VAL 103 1HG2 VAL 103 9.796 -7.329 -7.040 791 2HG2 VAL 103 2HG2 VAL 103 11.312 -7.501 -7.924 792 3HG2 VAL 103 3HG2 VAL 103 10.237 -6.147 -8.272 793 H ALA 104 H ALA 104 13.536 -5.643 -4.671 794 HA ALA 104 HA ALA 104 13.250 -3.099 -3.601 795 1HB ALA 104 1HB ALA 104 14.990 -3.836 -1.965 796 2HB ALA 104 2HB ALA 104 15.190 -5.297 -2.931 797 3HB ALA 104 3HB ALA 104 13.640 -4.950 -2.163 798 H VAL 105 H VAL 105 16.305 -4.564 -4.707 799 HA VAL 105 HA VAL 105 17.935 -2.365 -4.480 800 HB VAL 105 HB VAL 105 18.101 -4.434 -6.673 801 1HG1 VAL 105 1HG1 VAL 105 20.534 -3.953 -6.550 802 2HG1 VAL 105 2HG1 VAL 105 20.176 -2.615 -5.459 803 3HG1 VAL 105 3HG1 VAL 105 19.574 -2.587 -7.116 804 1HG2 VAL 105 1HG2 VAL 105 19.193 -4.465 -3.864 805 2HG2 VAL 105 2HG2 VAL 105 19.591 -5.637 -5.120 806 3HG2 VAL 105 3HG2 VAL 105 17.937 -5.515 -4.520 807 H ASN 106 H ASN 106 16.169 -3.371 -7.406 808 HA ASN 106 HA ASN 106 16.944 -1.088 -8.912 809 1HB ASN 106 1HB ASN 106 16.318 -3.235 -9.951 810 2HB ASN 106 2HB ASN 106 14.660 -3.007 -9.404 811 1HD2 ASN 106 1HD2 ASN 106 13.788 -2.975 -11.440 812 2HD2 ASN 106 2HD2 ASN 106 14.039 -1.678 -12.553 813 H TYR 107 H TYR 107 14.481 -1.518 -6.533 814 HA TYR 107 HA TYR 107 12.526 0.217 -7.621 815 1HB TYR 107 1HB TYR 107 11.625 -1.108 -5.985 816 2HB TYR 107 2HB TYR 107 13.043 -0.990 -4.951 817 HD1 TYR 107 HD1 TYR 107 12.634 0.001 -2.970 818 HD2 TYR 107 HD2 TYR 107 10.568 1.441 -6.383 819 HE1 TYR 107 HE1 TYR 107 11.544 1.706 -1.575 820 HE2 TYR 107 HE2 TYR 107 9.463 3.152 -5.007 821 HH TYR 107 HH TYR 107 10.477 3.898 -1.852 822 H LEU 108 H LEU 108 15.043 0.760 -5.169 823 HA LEU 108 HA LEU 108 14.511 3.398 -4.580 824 1HB LEU 108 1HB LEU 108 17.017 3.533 -4.125 825 2HB LEU 108 2HB LEU 108 16.077 2.374 -3.220 826 HG LEU 108 HG LEU 108 16.851 0.735 -5.120 827 1HD1 LEU 108 1HD1 LEU 108 19.016 2.829 -5.146 828 2HD1 LEU 108 2HD1 LEU 108 17.930 2.445 -6.480 829 3HD1 LEU 108 3HD1 LEU 108 19.098 1.247 -5.920 830 1HD2 LEU 108 1HD2 LEU 108 18.596 1.676 -2.851 831 2HD2 LEU 108 2HD2 LEU 108 18.830 0.172 -3.743 832 3HD2 LEU 108 3HD2 LEU 108 17.364 0.414 -2.792 833 H GLU 109 H GLU 109 15.584 2.157 -7.555 834 HA GLU 109 HA GLU 109 17.042 4.438 -8.456 835 1HB GLU 109 1HB GLU 109 15.690 2.223 -10.006 836 2HB GLU 109 2HB GLU 109 16.761 3.425 -10.710 837 1HG GLU 109 1HG GLU 109 17.551 1.472 -8.564 838 2HG GLU 109 2HG GLU 109 17.856 1.258 -10.286 839 H THR 110 H THR 110 13.947 4.266 -7.562 840 HA THR 110 HA THR 110 13.159 6.433 -9.363 841 HB THR 110 HB THR 110 10.874 5.494 -9.584 842 HG1 THR 110 HG1 THR 110 10.672 3.209 -9.087 843 1HG2 THR 110 1HG2 THR 110 12.470 5.178 -11.397 844 2HG2 THR 110 2HG2 THR 110 11.433 3.759 -11.240 845 3HG2 THR 110 3HG2 THR 110 13.086 3.718 -10.624 846 H HIS 111 H HIS 111 12.244 4.513 -6.515 847 HA HIS 111 HA HIS 111 11.076 5.040 -4.631 848 1HB HIS 111 1HB HIS 111 12.041 6.933 -3.352 849 2HB HIS 111 2HB HIS 111 13.262 5.851 -4.009 850 HD1 HIS 111 HD1 HIS 111 14.766 6.784 -5.920 851 HD2 HIS 111 HD2 HIS 111 12.125 9.554 -4.299 852 HE1 HIS 111 HE1 HIS 111 15.545 9.025 -6.755 853 HE2 HIS 111 HE2 HIS 111 13.986 10.692 -5.688 Start of MODEL 39 1 H MET 1 H MET 1 -6.449 9.089 -3.849 2 HA MET 1 HA MET 1 -6.036 11.436 -3.289 3 1HB MET 1 1HB MET 1 -4.119 11.030 -1.800 4 2HB MET 1 2HB MET 1 -3.170 10.471 -3.169 5 1HG MET 1 1HG MET 1 -3.307 12.687 -4.177 6 2HG MET 1 2HG MET 1 -4.272 13.249 -2.813 7 1HE MET 1 1HE MET 1 -1.245 10.768 -2.694 8 2HE MET 1 2HE MET 1 0.109 11.853 -2.383 9 3HE MET 1 3HE MET 1 -0.726 11.906 -3.937 10 H ALA 2 H ALA 2 -4.404 9.038 -5.245 11 HA ALA 2 HA ALA 2 -3.610 10.648 -7.393 12 1HB ALA 2 1HB ALA 2 -3.588 8.563 -8.703 13 2HB ALA 2 2HB ALA 2 -4.430 7.747 -7.385 14 3HB ALA 2 3HB ALA 2 -2.804 8.383 -7.134 15 H ASP 3 H ASP 3 -6.730 9.354 -6.529 16 HA ASP 3 HA ASP 3 -7.871 10.648 -8.917 17 1HB ASP 3 1HB ASP 3 -7.889 8.144 -9.075 18 2HB ASP 3 2HB ASP 3 -8.916 8.110 -7.647 19 H GLU 4 H GLU 4 -7.505 11.252 -5.903 20 HA GLU 4 HA GLU 4 -8.621 12.419 -4.304 21 1HB GLU 4 1HB GLU 4 -10.588 12.785 -6.565 22 2HB GLU 4 2HB GLU 4 -10.785 13.542 -4.991 23 1HG GLU 4 1HG GLU 4 -9.818 15.122 -6.498 24 2HG GLU 4 2HG GLU 4 -8.608 14.665 -5.301 25 H ASN 5 H ASN 5 -10.299 12.217 -2.731 26 HA ASN 5 HA ASN 5 -11.177 9.562 -2.347 27 1HB ASN 5 1HB ASN 5 -12.085 12.099 -0.970 28 2HB ASN 5 2HB ASN 5 -12.402 10.464 -0.400 29 1HD2 ASN 5 1HD2 ASN 5 -9.754 9.522 -1.244 30 2HD2 ASN 5 2HD2 ASN 5 -8.642 10.141 -0.076 31 H LYS 6 H LYS 6 -12.417 8.925 -4.119 32 HA LYS 6 HA LYS 6 -15.185 9.830 -4.029 33 1HB LYS 6 1HB LYS 6 -13.478 9.928 -6.514 34 2HB LYS 6 2HB LYS 6 -15.234 9.960 -6.553 35 1HG LYS 6 1HG LYS 6 -15.203 12.016 -5.198 36 2HG LYS 6 2HG LYS 6 -13.438 11.996 -5.250 37 1HD LYS 6 1HD LYS 6 -13.537 12.116 -7.712 38 2HD LYS 6 2HD LYS 6 -15.296 12.211 -7.619 39 1HE LYS 6 1HE LYS 6 -14.403 14.428 -7.897 40 2HE LYS 6 2HE LYS 6 -15.069 14.276 -6.272 41 1HZ LYS 6 1HZ LYS 6 -12.191 14.013 -6.952 42 2HZ LYS 6 2HZ LYS 6 -12.861 13.980 -5.399 43 3HZ LYS 6 3HZ LYS 6 -12.909 15.404 -6.311 44 H TRP 7 H TRP 7 -13.278 7.352 -3.705 45 HA TRP 7 HA TRP 7 -15.016 5.508 -5.212 46 1HB TRP 7 1HB TRP 7 -13.023 3.906 -5.051 47 2HB TRP 7 2HB TRP 7 -12.891 5.245 -6.184 48 HD1 TRP 7 HD1 TRP 7 -12.230 5.694 -2.419 49 HE1 TRP 7 HE1 TRP 7 -9.750 6.307 -2.101 50 HE3 TRP 7 HE3 TRP 7 -10.614 5.057 -7.228 51 HZ2 TRP 7 HZ2 TRP 7 -7.416 6.492 -3.682 52 HZ3 TRP 7 HZ3 TRP 7 -8.244 5.470 -7.741 53 HH2 TRP 7 HH2 TRP 7 -6.679 6.173 -6.004 54 H VAL 8 H VAL 8 -15.251 6.630 -2.446 55 HA VAL 8 HA VAL 8 -14.780 4.342 -0.732 56 HB VAL 8 HB VAL 8 -14.446 6.648 0.113 57 1HG1 VAL 8 1HG1 VAL 8 -16.257 7.770 -1.044 58 2HG1 VAL 8 2HG1 VAL 8 -16.413 8.002 0.697 59 3HG1 VAL 8 3HG1 VAL 8 -17.445 6.838 -0.133 60 1HG2 VAL 8 1HG2 VAL 8 -14.836 4.823 1.673 61 2HG2 VAL 8 2HG2 VAL 8 -16.578 5.061 1.538 62 3HG2 VAL 8 3HG2 VAL 8 -15.572 6.313 2.266 63 H ARG 9 H ARG 9 -17.505 5.917 -2.303 64 HA ARG 9 HA ARG 9 -19.095 3.540 -1.890 65 1HB ARG 9 1HB ARG 9 -19.509 4.768 0.197 66 2HB ARG 9 2HB ARG 9 -19.983 6.192 -0.717 67 1HG ARG 9 1HG ARG 9 -21.919 5.045 -1.582 68 2HG ARG 9 2HG ARG 9 -21.416 3.544 -0.801 69 1HD ARG 9 1HD ARG 9 -22.090 6.107 0.639 70 2HD ARG 9 2HD ARG 9 -23.186 4.739 0.444 71 HE ARG 9 HE ARG 9 -20.680 4.035 1.659 72 1HH1 ARG 9 1HH1 ARG 9 -23.889 5.266 2.240 73 2HH1 ARG 9 2HH1 ARG 9 -23.923 4.756 3.894 74 1HH2 ARG 9 1HH2 ARG 9 -20.719 3.358 3.836 75 2HH2 ARG 9 2HH2 ARG 9 -22.122 3.672 4.802 76 H ARG 10 H ARG 10 -18.278 6.318 -3.624 77 HA ARG 10 HA ARG 10 -20.641 6.725 -5.106 78 1HB ARG 10 1HB ARG 10 -17.772 7.016 -6.043 79 2HB ARG 10 2HB ARG 10 -19.184 7.699 -6.839 80 1HG ARG 10 1HG ARG 10 -19.617 9.008 -4.750 81 2HG ARG 10 2HG ARG 10 -18.055 8.444 -4.154 82 1HD ARG 10 1HD ARG 10 -17.691 10.585 -5.106 83 2HD ARG 10 2HD ARG 10 -17.031 9.405 -6.237 84 HE ARG 10 HE ARG 10 -19.508 9.777 -7.197 85 1HH1 ARG 10 1HH1 ARG 10 -17.023 12.016 -6.228 86 2HH1 ARG 10 2HH1 ARG 10 -17.517 13.247 -7.342 87 1HH2 ARG 10 1HH2 ARG 10 -20.169 11.393 -8.666 88 2HH2 ARG 10 2HH2 ARG 10 -19.308 12.894 -8.725 89 H ASP 11 H ASP 11 -21.697 5.111 -6.078 90 HA ASP 11 HA ASP 11 -22.134 3.279 -7.369 91 1HB ASP 11 1HB ASP 11 -19.288 3.645 -8.345 92 2HB ASP 11 2HB ASP 11 -20.505 2.617 -9.094 93 H VAL 12 H VAL 12 -21.069 3.189 -4.707 94 HA VAL 12 HA VAL 12 -19.101 1.455 -4.056 95 HB VAL 12 HB VAL 12 -20.381 2.549 -2.342 96 1HG1 VAL 12 1HG1 VAL 12 -22.675 0.748 -3.114 97 2HG1 VAL 12 2HG1 VAL 12 -22.569 2.479 -3.438 98 3HG1 VAL 12 3HG1 VAL 12 -22.660 1.897 -1.776 99 1HG2 VAL 12 1HG2 VAL 12 -19.243 0.565 -1.611 100 2HG2 VAL 12 2HG2 VAL 12 -20.581 -0.452 -2.143 101 3HG2 VAL 12 3HG2 VAL 12 -20.801 0.657 -0.790 102 H SER 13 H SER 13 -18.928 -0.770 -3.642 103 HA SER 13 HA SER 13 -20.938 -2.626 -4.411 104 1HB SER 13 1HB SER 13 -20.149 -1.677 -6.612 105 2HB SER 13 2HB SER 13 -18.578 -2.399 -6.276 106 HG SER 13 HG SER 13 -19.556 -4.434 -6.269 107 H THR 14 H THR 14 -17.418 -2.713 -4.898 108 HA THR 14 HA THR 14 -17.106 -5.172 -3.532 109 HB THR 14 HB THR 14 -14.864 -3.206 -3.946 110 HG1 THR 14 HG1 THR 14 -16.200 -4.804 -5.885 111 1HG2 THR 14 1HG2 THR 14 -15.048 -6.219 -4.037 112 2HG2 THR 14 2HG2 THR 14 -14.272 -5.244 -2.788 113 3HG2 THR 14 3HG2 THR 14 -13.599 -5.289 -4.418 114 H ALA 15 H ALA 15 -15.536 -5.397 -1.651 115 HA ALA 15 HA ALA 15 -16.409 -3.577 0.460 116 1HB ALA 15 1HB ALA 15 -16.736 -5.945 0.856 117 2HB ALA 15 2HB ALA 15 -15.555 -5.298 1.996 118 3HB ALA 15 3HB ALA 15 -15.016 -6.246 0.611 119 H LEU 16 H LEU 16 -13.366 -5.254 -0.314 120 HA LEU 16 HA LEU 16 -11.793 -3.434 1.203 121 1HB LEU 16 1HB LEU 16 -10.772 -5.301 -0.916 122 2HB LEU 16 2HB LEU 16 -9.935 -4.724 0.513 123 HG LEU 16 HG LEU 16 -12.364 -6.503 0.658 124 1HD1 LEU 16 1HD1 LEU 16 -9.490 -7.380 0.838 125 2HD1 LEU 16 2HD1 LEU 16 -10.494 -7.578 -0.598 126 3HD1 LEU 16 3HD1 LEU 16 -10.932 -8.393 0.904 127 1HD2 LEU 16 1HD2 LEU 16 -11.631 -6.911 2.916 128 2HD2 LEU 16 2HD2 LEU 16 -11.783 -5.174 2.659 129 3HD2 LEU 16 3HD2 LEU 16 -10.190 -5.928 2.665 130 H SER 17 H SER 17 -12.910 -3.437 -2.073 131 HA SER 17 HA SER 17 -10.854 -1.603 -2.980 132 1HB SER 17 1HB SER 17 -11.775 -3.355 -4.487 133 2HB SER 17 2HB SER 17 -13.333 -2.536 -4.436 134 HG SER 17 HG SER 17 -11.747 -2.052 -6.227 135 H ARG 18 H ARG 18 -14.398 -1.480 -2.552 136 HA ARG 18 HA ARG 18 -14.475 1.340 -3.100 137 1HB ARG 18 1HB ARG 18 -16.490 -0.733 -2.377 138 2HB ARG 18 2HB ARG 18 -16.909 0.958 -2.159 139 1HG ARG 18 1HG ARG 18 -17.684 0.150 -4.305 140 2HG ARG 18 2HG ARG 18 -16.438 1.381 -4.519 141 1HD ARG 18 1HD ARG 18 -14.787 -0.300 -4.996 142 2HD ARG 18 2HD ARG 18 -15.929 -1.588 -4.613 143 HE ARG 18 HE ARG 18 -17.206 -0.377 -6.596 144 1HH1 ARG 18 1HH1 ARG 18 -13.844 -1.248 -6.308 145 2HH1 ARG 18 2HH1 ARG 18 -13.628 -1.487 -8.010 146 1HH2 ARG 18 1HH2 ARG 18 -16.931 -0.692 -8.836 147 2HH2 ARG 18 2HH2 ARG 18 -15.382 -1.172 -9.447 148 H MET 19 H MET 19 -15.741 -0.356 -0.221 149 HA MET 19 HA MET 19 -15.474 2.010 1.353 150 1HB MET 19 1HB MET 19 -16.367 0.737 3.186 151 2HB MET 19 2HB MET 19 -17.280 0.373 1.732 152 1HG MET 19 1HG MET 19 -16.219 -1.746 1.508 153 2HG MET 19 2HG MET 19 -15.075 -1.374 2.799 154 1HE MET 19 1HE MET 19 -16.438 -4.017 2.857 155 2HE MET 19 2HE MET 19 -17.276 -4.183 4.399 156 3HE MET 19 3HE MET 19 -15.633 -3.542 4.352 157 H GLY 20 H GLY 20 -12.981 0.895 0.217 158 1HA GLY 20 1HA GLY 20 -11.347 -0.354 2.069 159 2HA GLY 20 2HA GLY 20 -10.780 0.788 0.860 160 H ASP 21 H ASP 21 -9.225 1.088 2.777 161 HA ASP 21 HA ASP 21 -8.371 2.504 4.340 162 1HB ASP 21 1HB ASP 21 -9.368 4.324 3.016 163 2HB ASP 21 2HB ASP 21 -10.896 4.114 3.866 164 H GLU 22 H GLU 22 -11.854 2.846 5.049 165 HA GLU 22 HA GLU 22 -11.518 2.347 7.810 166 1HB GLU 22 1HB GLU 22 -13.997 2.130 6.081 167 2HB GLU 22 2HB GLU 22 -13.996 2.106 7.839 168 1HG GLU 22 1HG GLU 22 -13.048 4.395 6.129 169 2HG GLU 22 2HG GLU 22 -14.618 4.290 6.923 170 H ALA 23 H ALA 23 -11.928 0.364 5.027 171 HA ALA 23 HA ALA 23 -12.248 -2.057 6.662 172 1HB ALA 23 1HB ALA 23 -13.922 -1.736 4.903 173 2HB ALA 23 2HB ALA 23 -12.934 -3.165 4.599 174 3HB ALA 23 3HB ALA 23 -12.640 -1.681 3.693 175 H PHE 24 H PHE 24 -9.759 -0.411 6.077 176 HA PHE 24 HA PHE 24 -8.066 -1.832 4.348 177 1HB PHE 24 1HB PHE 24 -7.770 0.512 5.388 178 2HB PHE 24 2HB PHE 24 -7.108 -0.341 6.778 179 HD1 PHE 24 HD1 PHE 24 -5.242 -2.101 6.188 180 HD2 PHE 24 HD2 PHE 24 -6.346 1.197 3.744 181 HE1 PHE 24 HE1 PHE 24 -3.060 -2.205 5.074 182 HE2 PHE 24 HE2 PHE 24 -4.164 1.099 2.627 183 HZ PHE 24 HZ PHE 24 -2.517 -0.603 3.286 184 H GLU 25 H GLU 25 -8.752 -2.127 7.785 185 HA GLU 25 HA GLU 25 -6.721 -3.892 8.483 186 1HB GLU 25 1HB GLU 25 -9.484 -3.487 9.585 187 2HB GLU 25 2HB GLU 25 -8.359 -4.650 10.256 188 1HG GLU 25 1HG GLU 25 -6.745 -2.835 10.651 189 2HG GLU 25 2HG GLU 25 -7.933 -1.684 10.039 190 HA PRO 26 HA PRO 26 -10.165 -7.514 7.626 191 1HB PRO 26 1HB PRO 26 -10.879 -6.122 5.069 192 2HB PRO 26 2HB PRO 26 -11.843 -7.236 6.044 193 1HG PRO 26 1HG PRO 26 -12.188 -4.561 6.135 194 2HG PRO 26 2HG PRO 26 -12.460 -5.609 7.538 195 1HD PRO 26 1HD PRO 26 -10.345 -3.637 7.080 196 2HD PRO 26 2HD PRO 26 -10.841 -4.421 8.588 197 H LEU 27 H LEU 27 -8.251 -5.575 5.446 198 HA LEU 27 HA LEU 27 -7.436 -7.651 3.685 199 1HB LEU 27 1HB LEU 27 -6.378 -4.920 4.352 200 2HB LEU 27 2HB LEU 27 -5.624 -5.943 3.137 201 HG LEU 27 HG LEU 27 -8.537 -5.250 2.943 202 1HD1 LEU 27 1HD1 LEU 27 -6.235 -3.582 1.944 203 2HD1 LEU 27 2HD1 LEU 27 -7.397 -3.124 3.189 204 3HD1 LEU 27 3HD1 LEU 27 -7.930 -3.347 1.521 205 1HD2 LEU 27 1HD2 LEU 27 -8.004 -5.509 0.513 206 2HD2 LEU 27 2HD2 LEU 27 -7.812 -6.978 1.470 207 3HD2 LEU 27 3HD2 LEU 27 -6.393 -6.049 0.986 208 H LEU 28 H LEU 28 -5.654 -5.856 6.193 209 HA LEU 28 HA LEU 28 -3.387 -7.512 6.196 210 1HB LEU 28 1HB LEU 28 -3.224 -5.307 7.083 211 2HB LEU 28 2HB LEU 28 -4.512 -5.602 8.233 212 HG LEU 28 HG LEU 28 -3.054 -7.167 9.457 213 1HD1 LEU 28 1HD1 LEU 28 -0.921 -6.285 7.519 214 2HD1 LEU 28 2HD1 LEU 28 -1.665 -7.884 7.569 215 3HD1 LEU 28 3HD1 LEU 28 -0.693 -7.321 8.928 216 1HD2 LEU 28 1HD2 LEU 28 -3.142 -4.846 10.149 217 2HD2 LEU 28 2HD2 LEU 28 -1.878 -4.430 8.992 218 3HD2 LEU 28 3HD2 LEU 28 -1.511 -5.481 10.359 219 H GLU 29 H GLU 29 -6.496 -7.900 7.585 220 HA GLU 29 HA GLU 29 -5.694 -9.754 9.629 221 1HB GLU 29 1HB GLU 29 -7.689 -8.372 9.927 222 2HB GLU 29 2HB GLU 29 -8.425 -9.103 8.509 223 1HG GLU 29 1HG GLU 29 -8.415 -11.279 9.648 224 2HG GLU 29 2HG GLU 29 -7.730 -10.508 11.078 225 H SER 30 H SER 30 -7.334 -9.964 6.493 226 HA SER 30 HA SER 30 -7.621 -12.772 6.480 227 1HB SER 30 1HB SER 30 -7.583 -10.782 4.204 228 2HB SER 30 2HB SER 30 -8.033 -12.479 4.034 229 HG SER 30 HG SER 30 -9.573 -11.876 5.858 230 H LEU 31 H LEU 31 -4.861 -10.842 6.086 231 HA LEU 31 HA LEU 31 -3.420 -12.313 4.172 232 1HB LEU 31 1HB LEU 31 -2.575 -10.545 6.448 233 2HB LEU 31 2HB LEU 31 -1.393 -11.363 5.445 234 HG LEU 31 HG LEU 31 -3.466 -9.424 4.417 235 1HD1 LEU 31 1HD1 LEU 31 -1.822 -8.308 5.828 236 2HD1 LEU 31 2HD1 LEU 31 -1.597 -7.880 4.132 237 3HD1 LEU 31 3HD1 LEU 31 -0.515 -9.043 4.901 238 1HD2 LEU 31 1HD2 LEU 31 -2.124 -9.489 2.360 239 2HD2 LEU 31 2HD2 LEU 31 -2.816 -11.064 2.750 240 3HD2 LEU 31 3HD2 LEU 31 -1.111 -10.744 3.073 241 H SER 32 H SER 32 -4.469 -13.249 7.216 242 HA SER 32 HA SER 32 -2.247 -15.054 7.733 243 1HB SER 32 1HB SER 32 -4.845 -14.693 9.246 244 2HB SER 32 2HB SER 32 -3.452 -15.631 9.786 245 HG SER 32 HG SER 32 -2.445 -13.329 9.272 246 H ASN 33 H ASN 33 -4.606 -15.147 5.581 247 HA ASN 33 HA ASN 33 -5.652 -17.794 6.088 248 1HB ASN 33 1HB ASN 33 -7.005 -17.500 4.163 249 2HB ASN 33 2HB ASN 33 -6.963 -15.939 4.970 250 1HD2 ASN 33 1HD2 ASN 33 -4.239 -15.368 4.010 251 2HD2 ASN 33 2HD2 ASN 33 -4.420 -14.955 2.347 252 H GLU 34 H GLU 34 -5.154 -19.665 5.053 253 HA GLU 34 HA GLU 34 -2.513 -19.968 4.077 254 1HB GLU 34 1HB GLU 34 -3.210 -22.316 3.630 255 2HB GLU 34 2HB GLU 34 -3.561 -21.775 5.265 256 1HG GLU 34 1HG GLU 34 -5.893 -21.403 4.645 257 2HG GLU 34 2HG GLU 34 -5.541 -21.944 3.005 258 H ASP 35 H ASP 35 -5.283 -18.884 2.517 259 HA ASP 35 HA ASP 35 -4.777 -20.066 -0.056 260 1HB ASP 35 1HB ASP 35 -7.039 -19.255 0.848 261 2HB ASP 35 2HB ASP 35 -6.484 -17.634 0.441 262 H TRP 36 H TRP 36 -3.983 -19.046 -1.906 263 HA TRP 36 HA TRP 36 -2.154 -16.829 -1.347 264 1HB TRP 36 1HB TRP 36 -1.132 -17.466 -3.549 265 2HB TRP 36 2HB TRP 36 -1.074 -18.734 -2.328 266 HD1 TRP 36 HD1 TRP 36 -2.651 -20.882 -2.713 267 HE1 TRP 36 HE1 TRP 36 -3.723 -21.844 -4.848 268 HE3 TRP 36 HE3 TRP 36 -2.168 -16.819 -5.780 269 HZ2 TRP 36 HZ2 TRP 36 -4.288 -21.001 -7.474 270 HZ3 TRP 36 HZ3 TRP 36 -3.001 -16.983 -8.090 271 HH2 TRP 36 HH2 TRP 36 -4.038 -19.033 -8.914 272 H ARG 37 H ARG 37 -4.806 -17.752 -3.471 273 HA ARG 37 HA ARG 37 -4.727 -15.592 -5.237 274 1HB ARG 37 1HB ARG 37 -6.094 -17.426 -5.819 275 2HB ARG 37 2HB ARG 37 -6.950 -17.383 -4.284 276 1HG ARG 37 1HG ARG 37 -8.356 -16.586 -6.086 277 2HG ARG 37 2HG ARG 37 -8.025 -15.294 -4.932 278 1HD ARG 37 1HD ARG 37 -6.329 -14.380 -6.415 279 2HD ARG 37 2HD ARG 37 -6.585 -15.702 -7.552 280 HE ARG 37 HE ARG 37 -9.008 -14.706 -7.518 281 1HH1 ARG 37 1HH1 ARG 37 -5.981 -12.980 -7.511 282 2HH1 ARG 37 2HH1 ARG 37 -6.617 -11.602 -8.345 283 1HH2 ARG 37 1HH2 ARG 37 -9.853 -12.896 -8.618 284 2HH2 ARG 37 2HH2 ARG 37 -8.817 -11.556 -8.979 285 H ILE 38 H ILE 38 -6.372 -15.951 -2.117 286 HA ILE 38 HA ILE 38 -7.552 -13.335 -2.246 287 HB ILE 38 HB ILE 38 -7.264 -15.108 0.180 288 1HG1 ILE 38 1HG1 ILE 38 -9.569 -14.950 -1.776 289 2HG1 ILE 38 2HG1 ILE 38 -8.383 -16.249 -1.740 290 1HG2 ILE 38 1HG2 ILE 38 -9.192 -12.876 -0.452 291 2HG2 ILE 38 2HG2 ILE 38 -7.834 -12.783 0.670 292 3HG2 ILE 38 3HG2 ILE 38 -9.191 -13.857 1.013 293 1HD1 ILE 38 1HD1 ILE 38 -9.106 -16.864 0.496 294 2HD1 ILE 38 2HD1 ILE 38 -10.460 -16.878 -0.635 295 3HD1 ILE 38 3HD1 ILE 38 -10.268 -15.539 0.495 296 H ARG 39 H ARG 39 -4.931 -14.809 -0.328 297 HA ARG 39 HA ARG 39 -4.187 -12.576 1.139 298 1HB ARG 39 1HB ARG 39 -3.322 -14.931 1.407 299 2HB ARG 39 2HB ARG 39 -2.264 -14.626 0.039 300 1HG ARG 39 1HG ARG 39 -1.082 -12.937 1.229 301 2HG ARG 39 2HG ARG 39 -2.254 -12.968 2.547 302 1HD ARG 39 1HD ARG 39 -0.126 -14.165 3.043 303 2HD ARG 39 2HD ARG 39 -1.569 -15.166 3.194 304 HE ARG 39 HE ARG 39 -0.581 -15.483 0.608 305 1HH1 ARG 39 1HH1 ARG 39 0.383 -16.167 3.887 306 2HH1 ARG 39 2HH1 ARG 39 1.332 -17.549 3.455 307 1HH2 ARG 39 1HH2 ARG 39 0.668 -17.301 0.031 308 2HH2 ARG 39 2HH2 ARG 39 1.495 -18.194 1.263 309 H GLY 40 H GLY 40 -3.520 -13.389 -2.191 310 1HA GLY 40 1HA GLY 40 -1.420 -11.520 -2.609 311 2HA GLY 40 2HA GLY 40 -2.395 -12.276 -3.859 312 H ALA 41 H ALA 41 -4.822 -11.396 -3.673 313 HA ALA 41 HA ALA 41 -4.878 -8.863 -4.709 314 1HB ALA 41 1HB ALA 41 -7.279 -8.843 -4.236 315 2HB ALA 41 2HB ALA 41 -7.072 -10.209 -3.141 316 3HB ALA 41 3HB ALA 41 -6.753 -10.405 -4.865 317 H ALA 42 H ALA 42 -4.750 -9.796 -1.364 318 HA ALA 42 HA ALA 42 -5.662 -7.428 -0.168 319 1HB ALA 42 1HB ALA 42 -5.232 -9.640 0.965 320 2HB ALA 42 2HB ALA 42 -4.683 -8.212 1.840 321 3HB ALA 42 3HB ALA 42 -3.521 -9.210 0.967 322 H ALA 43 H ALA 43 -2.344 -8.470 -0.929 323 HA ALA 43 HA ALA 43 -1.168 -5.984 -0.166 324 1HB ALA 43 1HB ALA 43 -0.030 -8.213 -1.843 325 2HB ALA 43 2HB ALA 43 0.076 -8.077 -0.087 326 3HB ALA 43 3HB ALA 43 0.881 -6.891 -1.113 327 H TRP 44 H TRP 44 -2.417 -7.333 -3.136 328 HA TRP 44 HA TRP 44 -1.210 -5.699 -5.024 329 1HB TRP 44 1HB TRP 44 -3.730 -7.260 -4.902 330 2HB TRP 44 2HB TRP 44 -3.603 -6.056 -6.178 331 HD1 TRP 44 HD1 TRP 44 -1.557 -9.066 -4.842 332 HE1 TRP 44 HE1 TRP 44 -0.382 -10.178 -6.841 333 HE3 TRP 44 HE3 TRP 44 -3.017 -5.847 -8.536 334 HZ2 TRP 44 HZ2 TRP 44 -0.109 -9.754 -9.615 335 HZ3 TRP 44 HZ3 TRP 44 -2.258 -6.275 -10.838 336 HH2 TRP 44 HH2 TRP 44 -0.835 -8.187 -11.365 337 H ILE 45 H ILE 45 -3.992 -5.069 -2.952 338 HA ILE 45 HA ILE 45 -4.338 -2.420 -4.169 339 HB ILE 45 HB ILE 45 -6.079 -3.766 -2.099 340 1HG1 ILE 45 1HG1 ILE 45 -6.515 -3.571 -5.088 341 2HG1 ILE 45 2HG1 ILE 45 -5.984 -5.025 -4.248 342 1HG2 ILE 45 1HG2 ILE 45 -7.743 -2.092 -2.787 343 2HG2 ILE 45 2HG2 ILE 45 -6.550 -1.366 -3.864 344 3HG2 ILE 45 3HG2 ILE 45 -6.290 -1.350 -2.120 345 1HD1 ILE 45 1HD1 ILE 45 -8.613 -3.612 -3.873 346 2HD1 ILE 45 2HD1 ILE 45 -8.082 -5.039 -2.981 347 3HD1 ILE 45 3HD1 ILE 45 -8.347 -5.135 -4.723 348 H ILE 46 H ILE 46 -3.150 -4.020 -1.381 349 HA ILE 46 HA ILE 46 -3.430 -2.175 0.635 350 HB ILE 46 HB ILE 46 -2.148 -4.565 0.382 351 1HG1 ILE 46 1HG1 ILE 46 -1.277 -3.606 2.832 352 2HG1 ILE 46 2HG1 ILE 46 -2.679 -2.610 2.456 353 1HG2 ILE 46 1HG2 ILE 46 -0.117 -3.477 -0.496 354 2HG2 ILE 46 2HG2 ILE 46 0.161 -4.322 1.028 355 3HG2 ILE 46 3HG2 ILE 46 0.015 -2.565 1.008 356 1HD1 ILE 46 1HD1 ILE 46 -4.049 -4.581 2.194 357 2HD1 ILE 46 2HD1 ILE 46 -3.261 -4.584 3.773 358 3HD1 ILE 46 3HD1 ILE 46 -2.649 -5.615 2.479 359 H GLY 47 H GLY 47 -1.006 -2.188 -1.955 360 1HA GLY 47 1HA GLY 47 0.475 -0.002 -0.829 361 2HA GLY 47 2HA GLY 47 0.692 -0.695 -2.426 362 H ASN 48 H ASN 48 -2.239 -0.230 -2.998 363 HA ASN 48 HA ASN 48 -1.896 2.310 -4.224 364 1HB ASN 48 1HB ASN 48 -4.303 0.511 -3.966 365 2HB ASN 48 2HB ASN 48 -4.312 2.016 -4.881 366 1HD2 ASN 48 1HD2 ASN 48 -3.155 -1.245 -4.735 367 2HD2 ASN 48 2HD2 ASN 48 -2.561 -1.325 -6.355 368 H PHE 49 H PHE 49 -2.581 1.691 -1.033 369 HA PHE 49 HA PHE 49 -4.247 4.109 -0.850 370 1HB PHE 49 1HB PHE 49 -4.049 1.783 1.063 371 2HB PHE 49 2HB PHE 49 -4.950 3.257 1.392 372 HD1 PHE 49 HD1 PHE 49 -5.885 3.458 -1.625 373 HD2 PHE 49 HD2 PHE 49 -6.014 0.409 1.345 374 HE1 PHE 49 HE1 PHE 49 -7.864 2.484 -2.713 375 HE2 PHE 49 HE2 PHE 49 -7.991 -0.569 0.259 376 HZ PHE 49 HZ PHE 49 -8.919 0.468 -1.772 377 H GLN 50 H GLN 50 -1.174 2.906 -0.210 378 HA GLN 50 HA GLN 50 0.618 3.714 0.945 379 1HB GLN 50 1HB GLN 50 -0.609 5.831 -0.377 380 2HB GLN 50 2HB GLN 50 -0.345 6.445 1.249 381 1HG GLN 50 1HG GLN 50 1.800 5.136 -0.377 382 2HG GLN 50 2HG GLN 50 1.492 6.871 -0.412 383 1HE2 GLN 50 1HE2 GLN 50 3.554 7.297 0.395 384 2HE2 GLN 50 2HE2 GLN 50 3.950 7.046 2.057 385 H ASP 51 H ASP 51 -0.408 2.418 2.780 386 HA ASP 51 HA ASP 51 -0.877 4.238 5.047 387 1HB ASP 51 1HB ASP 51 -2.893 2.830 4.149 388 2HB ASP 51 2HB ASP 51 -2.096 1.502 4.989 389 H GLU 52 H GLU 52 -0.382 3.233 7.170 390 HA GLU 52 HA GLU 52 2.233 2.196 7.209 391 1HB GLU 52 1HB GLU 52 1.652 3.399 9.115 392 2HB GLU 52 2HB GLU 52 0.094 2.599 9.269 393 1HG GLU 52 1HG GLU 52 1.284 0.527 9.919 394 2HG GLU 52 2HG GLU 52 2.796 1.435 9.897 395 H ARG 53 H ARG 53 -0.916 0.661 7.696 396 HA ARG 53 HA ARG 53 0.114 -1.910 8.295 397 1HB ARG 53 1HB ARG 53 -2.423 -2.344 7.231 398 2HB ARG 53 2HB ARG 53 -2.008 -2.153 8.927 399 1HG ARG 53 1HG ARG 53 -2.348 0.315 8.621 400 2HG ARG 53 2HG ARG 53 -3.005 -0.052 7.026 401 1HD ARG 53 1HD ARG 53 -4.734 -1.423 8.029 402 2HD ARG 53 2HD ARG 53 -4.042 -1.164 9.630 403 HE ARG 53 HE ARG 53 -5.015 1.124 8.071 404 1HH1 ARG 53 1HH1 ARG 53 -5.209 -0.936 10.873 405 2HH1 ARG 53 2HH1 ARG 53 -6.288 0.113 11.730 406 1HH2 ARG 53 1HH2 ARG 53 -6.434 2.514 9.192 407 2HH2 ARG 53 2HH2 ARG 53 -6.983 2.075 10.776 408 H ALA 54 H ALA 54 0.258 -0.218 5.463 409 HA ALA 54 HA ALA 54 -0.130 -2.527 3.706 410 1HB ALA 54 1HB ALA 54 0.721 0.182 2.767 411 2HB ALA 54 2HB ALA 54 -0.951 -0.114 3.230 412 3HB ALA 54 3HB ALA 54 -0.221 -1.046 1.925 413 H VAL 55 H VAL 55 2.237 -1.425 5.608 414 HA VAL 55 HA VAL 55 4.435 -1.683 3.723 415 HB VAL 55 HB VAL 55 4.582 -1.191 6.694 416 1HG1 VAL 55 1HG1 VAL 55 6.529 -0.557 4.492 417 2HG1 VAL 55 2HG1 VAL 55 6.642 -1.953 5.564 418 3HG1 VAL 55 3HG1 VAL 55 6.770 -0.322 6.221 419 1HG2 VAL 55 1HG2 VAL 55 4.797 1.200 6.098 420 2HG2 VAL 55 2HG2 VAL 55 3.209 0.538 5.708 421 3HG2 VAL 55 3HG2 VAL 55 4.395 0.793 4.428 422 H GLU 56 H GLU 56 3.341 -3.277 6.727 423 HA GLU 56 HA GLU 56 5.369 -5.202 6.820 424 1HB GLU 56 1HB GLU 56 3.947 -4.735 8.737 425 2HB GLU 56 2HB GLU 56 2.551 -5.383 7.886 426 1HG GLU 56 1HG GLU 56 3.498 -7.586 7.888 427 2HG GLU 56 2HG GLU 56 5.008 -6.981 8.569 428 HA PRO 57 HA PRO 57 1.936 -8.137 4.594 429 1HB PRO 57 1HB PRO 57 1.367 -5.971 2.618 430 2HB PRO 57 2HB PRO 57 0.346 -7.310 3.152 431 1HG PRO 57 1HG PRO 57 -0.021 -4.838 4.093 432 2HG PRO 57 2HG PRO 57 -0.233 -6.261 5.129 433 1HD PRO 57 1HD PRO 57 1.938 -4.247 5.110 434 2HD PRO 57 2HD PRO 57 1.354 -5.268 6.436 435 H LEU 58 H LEU 58 3.744 -5.585 2.915 436 HA LEU 58 HA LEU 58 4.565 -7.194 0.745 437 1HB LEU 58 1HB LEU 58 6.201 -4.884 1.692 438 2HB LEU 58 2HB LEU 58 5.827 -5.380 0.054 439 HG LEU 58 HG LEU 58 3.967 -3.990 1.980 440 1HD1 LEU 58 1HD1 LEU 58 5.680 -2.564 0.952 441 2HD1 LEU 58 2HD1 LEU 58 4.055 -2.164 0.395 442 3HD1 LEU 58 3HD1 LEU 58 5.141 -3.087 -0.644 443 1HD2 LEU 58 1HD2 LEU 58 3.472 -5.113 -0.769 444 2HD2 LEU 58 2HD2 LEU 58 2.426 -3.923 0.004 445 3HD2 LEU 58 3HD2 LEU 58 2.637 -5.516 0.732 446 H ILE 59 H ILE 59 5.989 -6.501 3.880 447 HA ILE 59 HA ILE 59 8.556 -7.494 3.433 448 HB ILE 59 HB ILE 59 7.061 -7.687 6.040 449 1HG1 ILE 59 1HG1 ILE 59 6.832 -5.420 5.170 450 2HG1 ILE 59 2HG1 ILE 59 7.955 -5.431 6.524 451 1HG2 ILE 59 1HG2 ILE 59 9.283 -8.843 5.794 452 2HG2 ILE 59 2HG2 ILE 59 9.192 -7.642 7.080 453 3HG2 ILE 59 3HG2 ILE 59 10.001 -7.249 5.563 454 1HD1 ILE 59 1HD1 ILE 59 8.704 -5.346 3.610 455 2HD1 ILE 59 2HD1 ILE 59 9.832 -5.354 4.966 456 3HD1 ILE 59 3HD1 ILE 59 8.738 -3.990 4.736 457 H LYS 60 H LYS 60 5.831 -9.194 5.001 458 HA LYS 60 HA LYS 60 7.214 -11.682 5.081 459 1HB LYS 60 1HB LYS 60 5.455 -11.067 6.690 460 2HB LYS 60 2HB LYS 60 4.264 -11.119 5.399 461 1HG LYS 60 1HG LYS 60 5.865 -13.563 5.729 462 2HG LYS 60 2HG LYS 60 4.789 -13.169 7.070 463 1HD LYS 60 1HD LYS 60 3.894 -13.260 4.194 464 2HD LYS 60 2HD LYS 60 3.801 -14.645 5.284 465 1HE LYS 60 1HE LYS 60 2.386 -13.334 6.803 466 2HE LYS 60 2HE LYS 60 2.464 -11.969 5.689 467 1HZ LYS 60 1HZ LYS 60 1.442 -13.448 3.994 468 2HZ LYS 60 2HZ LYS 60 0.435 -13.119 5.312 469 3HZ LYS 60 3HZ LYS 60 1.214 -14.616 5.198 470 H LEU 61 H LEU 61 5.373 -10.126 2.632 471 HA LEU 61 HA LEU 61 4.619 -12.568 1.286 472 1HB LEU 61 1HB LEU 61 4.125 -9.692 0.948 473 2HB LEU 61 2HB LEU 61 4.175 -10.621 -0.537 474 HG LEU 61 HG LEU 61 2.373 -11.992 0.145 475 1HD1 LEU 61 1HD1 LEU 61 2.870 -12.404 2.439 476 2HD1 LEU 61 2HD1 LEU 61 1.266 -11.672 2.367 477 3HD1 LEU 61 3HD1 LEU 61 2.658 -10.702 2.848 478 1HD2 LEU 61 1HD2 LEU 61 1.722 -9.838 -0.732 479 2HD2 LEU 61 2HD2 LEU 61 1.796 -9.135 0.885 480 3HD2 LEU 61 3HD2 LEU 61 0.583 -10.358 0.509 481 H LEU 62 H LEU 62 6.928 -9.940 0.677 482 HA LEU 62 HA LEU 62 7.853 -10.894 -1.793 483 1HB LEU 62 1HB LEU 62 9.233 -9.207 0.293 484 2HB LEU 62 2HB LEU 62 9.842 -9.467 -1.333 485 HG LEU 62 HG LEU 62 7.125 -8.277 -0.809 486 1HD1 LEU 62 1HD1 LEU 62 8.119 -6.081 -1.121 487 2HD1 LEU 62 2HD1 LEU 62 9.723 -6.800 -1.247 488 3HD1 LEU 62 3HD1 LEU 62 8.837 -6.882 0.276 489 1HD2 LEU 62 1HD2 LEU 62 7.543 -9.208 -3.039 490 2HD2 LEU 62 2HD2 LEU 62 8.968 -8.181 -3.198 491 3HD2 LEU 62 3HD2 LEU 62 7.365 -7.455 -3.085 492 H GLU 63 H GLU 63 8.158 -12.174 1.270 493 HA GLU 63 HA GLU 63 10.541 -13.727 0.522 494 1HB GLU 63 1HB GLU 63 9.445 -12.820 3.155 495 2HB GLU 63 2HB GLU 63 10.404 -14.286 3.086 496 1HG GLU 63 1HG GLU 63 11.851 -12.501 3.668 497 2HG GLU 63 2HG GLU 63 12.221 -12.965 2.008 498 H ASP 64 H ASP 64 7.184 -13.822 1.024 499 HA ASP 64 HA ASP 64 6.822 -16.452 1.946 500 1HB ASP 64 1HB ASP 64 5.107 -14.527 1.744 501 2HB ASP 64 2HB ASP 64 4.890 -15.105 0.095 502 H ASP 65 H ASP 65 7.193 -15.108 -1.220 503 HA ASP 65 HA ASP 65 7.555 -15.998 -3.278 504 1HB ASP 65 1HB ASP 65 8.655 -18.202 -1.539 505 2HB ASP 65 2HB ASP 65 8.766 -18.234 -3.296 506 H SER 66 H SER 66 4.936 -16.498 -1.941 507 HA SER 66 HA SER 66 4.098 -19.119 -2.753 508 1HB SER 66 1HB SER 66 3.056 -17.392 -0.987 509 2HB SER 66 2HB SER 66 2.086 -16.952 -2.391 510 HG SER 66 HG SER 66 1.714 -18.990 -0.786 511 H GLY 67 H GLY 67 4.333 -16.010 -4.243 512 1HA GLY 67 1HA GLY 67 4.455 -16.103 -6.714 513 2HA GLY 67 2HA GLY 67 2.989 -17.074 -6.654 514 H PHE 68 H PHE 68 1.014 -16.027 -5.926 515 HA PHE 68 HA PHE 68 0.656 -13.456 -7.058 516 1HB PHE 68 1HB PHE 68 -1.034 -15.461 -6.404 517 2HB PHE 68 2HB PHE 68 -1.293 -14.401 -5.026 518 HD1 PHE 68 HD1 PHE 68 -1.510 -11.767 -5.863 519 HD2 PHE 68 HD2 PHE 68 -2.550 -15.266 -8.068 520 HE1 PHE 68 HE1 PHE 68 -3.100 -10.458 -7.202 521 HE2 PHE 68 HE2 PHE 68 -4.134 -13.952 -9.410 522 HZ PHE 68 HZ PHE 68 -4.411 -11.546 -8.979 523 H VAL 69 H VAL 69 1.273 -14.640 -3.845 524 HA VAL 69 HA VAL 69 0.729 -12.226 -2.450 525 HB VAL 69 HB VAL 69 1.568 -13.308 -0.534 526 1HG1 VAL 69 1HG1 VAL 69 -0.464 -14.324 -1.239 527 2HG1 VAL 69 2HG1 VAL 69 0.604 -15.606 -0.665 528 3HG1 VAL 69 3HG1 VAL 69 0.387 -15.348 -2.396 529 1HG2 VAL 69 1HG2 VAL 69 3.752 -13.936 -1.284 530 2HG2 VAL 69 2HG2 VAL 69 3.073 -15.139 -2.380 531 3HG2 VAL 69 3HG2 VAL 69 2.946 -15.364 -0.636 532 H ARG 70 H ARG 70 3.676 -13.722 -3.719 533 HA ARG 70 HA ARG 70 5.405 -11.706 -2.662 534 1HB ARG 70 1HB ARG 70 5.989 -14.135 -3.253 535 2HB ARG 70 2HB ARG 70 6.098 -13.573 -4.913 536 1HG ARG 70 1HG ARG 70 7.738 -11.831 -4.032 537 2HG ARG 70 2HG ARG 70 7.793 -12.807 -2.566 538 1HD ARG 70 1HD ARG 70 9.596 -13.299 -4.238 539 2HD ARG 70 2HD ARG 70 8.630 -14.689 -3.747 540 HE ARG 70 HE ARG 70 7.485 -13.594 -6.051 541 1HH1 ARG 70 1HH1 ARG 70 10.397 -15.241 -5.072 542 2HH1 ARG 70 2HH1 ARG 70 10.655 -15.974 -6.620 543 1HH2 ARG 70 1HH2 ARG 70 7.816 -14.556 -8.087 544 2HH2 ARG 70 2HH2 ARG 70 9.188 -15.584 -8.334 545 H SER 71 H SER 71 4.150 -12.449 -5.897 546 HA SER 71 HA SER 71 5.415 -10.380 -7.287 547 1HB SER 71 1HB SER 71 4.271 -12.232 -8.425 548 2HB SER 71 2HB SER 71 2.718 -11.636 -7.837 549 HG SER 71 HG SER 71 3.555 -9.583 -8.974 550 H GLY 72 H GLY 72 2.179 -10.485 -5.814 551 1HA GLY 72 1HA GLY 72 1.347 -7.911 -6.449 552 2HA GLY 72 2HA GLY 72 0.833 -8.803 -5.022 553 H ALA 73 H ALA 73 3.016 -9.004 -3.510 554 HA ALA 73 HA ALA 73 3.233 -6.541 -2.251 555 1HB ALA 73 1HB ALA 73 5.117 -7.535 -1.013 556 2HB ALA 73 2HB ALA 73 5.130 -8.882 -2.151 557 3HB ALA 73 3HB ALA 73 3.729 -8.619 -1.112 558 H ALA 74 H ALA 74 5.159 -7.958 -4.822 559 HA ALA 74 HA ALA 74 7.380 -6.243 -4.688 560 1HB ALA 74 1HB ALA 74 7.931 -7.012 -6.881 561 2HB ALA 74 2HB ALA 74 6.267 -7.511 -7.184 562 3HB ALA 74 3HB ALA 74 7.242 -8.370 -5.990 563 H ARG 75 H ARG 75 4.508 -6.065 -6.793 564 HA ARG 75 HA ARG 75 5.219 -3.546 -7.887 565 1HB ARG 75 1HB ARG 75 2.765 -3.565 -8.636 566 2HB ARG 75 2HB ARG 75 3.818 -4.834 -9.243 567 1HG ARG 75 1HG ARG 75 2.940 -6.336 -7.476 568 2HG ARG 75 2HG ARG 75 1.805 -5.065 -7.017 569 1HD ARG 75 1HD ARG 75 0.779 -6.735 -8.502 570 2HD ARG 75 2HD ARG 75 0.803 -5.125 -9.225 571 HE ARG 75 HE ARG 75 2.961 -6.968 -9.917 572 1HH1 ARG 75 1HH1 ARG 75 0.016 -5.340 -10.828 573 2HH1 ARG 75 2HH1 ARG 75 0.218 -5.650 -12.520 574 1HH2 ARG 75 1HH2 ARG 75 3.235 -7.378 -12.142 575 2HH2 ARG 75 2HH2 ARG 75 2.049 -6.809 -13.268 576 H SER 76 H SER 76 3.714 -4.454 -4.944 577 HA SER 76 HA SER 76 2.057 -2.266 -4.451 578 1HB SER 76 1HB SER 76 3.672 -3.897 -2.482 579 2HB SER 76 2HB SER 76 2.347 -2.814 -2.056 580 HG SER 76 HG SER 76 2.288 -5.326 -3.219 581 H LEU 77 H LEU 77 5.507 -2.693 -3.671 582 HA LEU 77 HA LEU 77 5.903 -0.275 -2.350 583 1HB LEU 77 1HB LEU 77 7.784 -1.923 -4.030 584 2HB LEU 77 2HB LEU 77 8.300 -0.492 -3.159 585 HG LEU 77 HG LEU 77 7.273 -1.729 -1.087 586 1HD1 LEU 77 1HD1 LEU 77 6.279 -3.559 -2.330 587 2HD1 LEU 77 2HD1 LEU 77 7.523 -4.155 -1.231 588 3HD1 LEU 77 3HD1 LEU 77 7.864 -4.015 -2.956 589 1HD2 LEU 77 1HD2 LEU 77 9.888 -2.533 -2.353 590 2HD2 LEU 77 2HD2 LEU 77 9.451 -2.774 -0.661 591 3HD2 LEU 77 3HD2 LEU 77 9.615 -1.140 -1.307 592 H GLU 78 H GLU 78 6.510 -0.998 -5.788 593 HA GLU 78 HA GLU 78 7.246 1.486 -6.679 594 1HB GLU 78 1HB GLU 78 5.525 -0.555 -8.090 595 2HB GLU 78 2HB GLU 78 6.275 0.826 -8.881 596 1HG GLU 78 1HG GLU 78 8.481 -0.021 -8.282 597 2HG GLU 78 2HG GLU 78 7.735 -1.403 -7.478 598 H GLN 79 H GLN 79 4.015 0.361 -5.914 599 HA GLN 79 HA GLN 79 2.637 2.558 -7.075 600 1HB GLN 79 1HB GLN 79 1.807 0.602 -4.927 601 2HB GLN 79 2HB GLN 79 0.724 1.767 -5.677 602 1HG GLN 79 1HG GLN 79 0.919 0.714 -7.794 603 2HG GLN 79 2HG GLN 79 2.240 -0.306 -7.234 604 1HE2 GLN 79 1HE2 GLN 79 0.934 -0.811 -4.662 605 2HE2 GLN 79 2HE2 GLN 79 -0.326 -1.946 -4.988 606 H ILE 80 H ILE 80 3.825 1.869 -3.810 607 HA ILE 80 HA ILE 80 2.737 4.204 -2.614 608 HB ILE 80 HB ILE 80 5.073 2.494 -1.742 609 1HG1 ILE 80 1HG1 ILE 80 2.213 2.491 -0.760 610 2HG1 ILE 80 2HG1 ILE 80 2.841 1.356 -1.950 611 1HG2 ILE 80 1HG2 ILE 80 3.486 4.520 -0.171 612 2HG2 ILE 80 2HG2 ILE 80 5.145 4.720 -0.730 613 3HG2 ILE 80 3HG2 ILE 80 4.761 3.481 0.464 614 1HD1 ILE 80 1HD1 ILE 80 3.775 1.651 0.895 615 2HD1 ILE 80 2HD1 ILE 80 4.453 0.539 -0.294 616 3HD1 ILE 80 3HD1 ILE 80 2.783 0.348 0.242 617 H GLY 81 H GLY 81 6.134 3.412 -3.398 618 1HA GLY 81 1HA GLY 81 7.891 4.734 -4.046 619 2HA GLY 81 2HA GLY 81 6.696 5.846 -4.692 620 H GLY 82 H GLY 82 9.150 5.492 -2.469 621 1HA GLY 82 1HA GLY 82 9.303 8.008 -1.542 622 2HA GLY 82 2HA GLY 82 8.082 7.321 -0.484 623 H GLU 83 H GLU 83 10.182 8.238 0.787 624 HA GLU 83 HA GLU 83 12.338 6.390 1.047 625 1HB GLU 83 1HB GLU 83 13.007 7.741 2.968 626 2HB GLU 83 2HB GLU 83 12.596 8.766 1.599 627 1HG GLU 83 1HG GLU 83 10.398 9.194 2.593 628 2HG GLU 83 2HG GLU 83 10.840 8.194 3.977 629 H ARG 84 H ARG 84 9.178 6.620 2.393 630 HA ARG 84 HA ARG 84 9.667 5.086 4.740 631 1HB ARG 84 1HB ARG 84 7.013 4.745 4.364 632 2HB ARG 84 2HB ARG 84 7.718 6.162 5.120 633 1HG ARG 84 1HG ARG 84 6.087 6.897 3.545 634 2HG ARG 84 2HG ARG 84 7.680 7.287 2.892 635 1HD ARG 84 1HD ARG 84 5.954 6.295 1.301 636 2HD ARG 84 2HD ARG 84 7.561 5.573 1.303 637 HE ARG 84 HE ARG 84 6.516 3.620 1.801 638 1HH1 ARG 84 1HH1 ARG 84 4.681 6.198 3.273 639 2HH1 ARG 84 2HH1 ARG 84 3.510 5.132 3.971 640 1HH2 ARG 84 1HH2 ARG 84 4.976 2.221 2.714 641 2HH2 ARG 84 2HH2 ARG 84 3.675 2.874 3.652 642 H VAL 85 H VAL 85 8.383 4.316 1.537 643 HA VAL 85 HA VAL 85 7.941 1.560 2.086 644 HB VAL 85 HB VAL 85 6.819 2.863 0.278 645 1HG1 VAL 85 1HG1 VAL 85 7.989 3.098 -1.875 646 2HG1 VAL 85 2HG1 VAL 85 9.484 2.594 -1.089 647 3HG1 VAL 85 3HG1 VAL 85 8.689 4.089 -0.597 648 1HG2 VAL 85 1HG2 VAL 85 8.250 0.371 -0.628 649 2HG2 VAL 85 2HG2 VAL 85 6.761 1.024 -1.312 650 3HG2 VAL 85 3HG2 VAL 85 6.778 0.413 0.342 651 H ARG 86 H ARG 86 10.622 3.465 1.082 652 HA ARG 86 HA ARG 86 12.265 1.628 -0.176 653 1HB ARG 86 1HB ARG 86 13.224 3.683 -0.268 654 2HB ARG 86 2HB ARG 86 12.644 4.140 1.326 655 1HG ARG 86 1HG ARG 86 14.442 2.981 2.388 656 2HG ARG 86 2HG ARG 86 14.950 2.261 0.860 657 1HD ARG 86 1HD ARG 86 15.505 4.476 -0.003 658 2HD ARG 86 2HD ARG 86 14.977 5.206 1.513 659 HE ARG 86 HE ARG 86 17.253 3.339 1.340 660 1HH1 ARG 86 1HH1 ARG 86 15.761 6.248 2.547 661 2HH1 ARG 86 2HH1 ARG 86 17.113 6.683 3.538 662 1HH2 ARG 86 1HH2 ARG 86 19.035 3.903 2.643 663 2HH2 ARG 86 2HH2 ARG 86 18.975 5.352 3.590 664 H ALA 87 H ALA 87 11.440 1.928 3.186 665 HA ALA 87 HA ALA 87 13.548 0.397 4.280 666 1HB ALA 87 1HB ALA 87 10.759 0.943 5.285 667 2HB ALA 87 2HB ALA 87 12.240 1.799 5.717 668 3HB ALA 87 3HB ALA 87 12.008 0.126 6.225 669 H ALA 88 H ALA 88 10.490 -0.420 2.801 670 HA ALA 88 HA ALA 88 10.257 -3.073 3.666 671 1HB ALA 88 1HB ALA 88 9.289 -1.789 1.116 672 2HB ALA 88 2HB ALA 88 8.398 -1.939 2.631 673 3HB ALA 88 3HB ALA 88 8.794 -3.381 1.694 674 H MET 89 H MET 89 11.530 -1.881 0.527 675 HA MET 89 HA MET 89 12.491 -4.446 -0.202 676 1HB MET 89 1HB MET 89 13.695 -3.295 -2.012 677 2HB MET 89 2HB MET 89 12.005 -2.855 -1.942 678 1HG MET 89 1HG MET 89 13.251 -0.918 -2.435 679 2HG MET 89 2HG MET 89 12.680 -0.761 -0.772 680 1HE MET 89 1HE MET 89 14.446 1.271 -0.620 681 2HE MET 89 2HE MET 89 15.075 0.947 -2.235 682 3HE MET 89 3HE MET 89 16.181 1.077 -0.867 683 H GLU 90 H GLU 90 13.782 -1.895 1.722 684 HA GLU 90 HA GLU 90 16.525 -2.526 1.531 685 1HB GLU 90 1HB GLU 90 15.455 -0.452 2.576 686 2HB GLU 90 2HB GLU 90 15.157 -1.443 3.996 687 1HG GLU 90 1HG GLU 90 17.879 -0.962 2.806 688 2HG GLU 90 2HG GLU 90 17.192 -0.029 4.134 689 H LYS 91 H LYS 91 13.952 -3.605 3.698 690 HA LYS 91 HA LYS 91 15.618 -5.353 5.218 691 1HB LYS 91 1HB LYS 91 12.612 -5.293 4.910 692 2HB LYS 91 2HB LYS 91 13.485 -6.237 6.110 693 1HG LYS 91 1HG LYS 91 13.610 -3.237 5.909 694 2HG LYS 91 2HG LYS 91 12.514 -4.121 6.974 695 1HD LYS 91 1HD LYS 91 14.429 -5.142 8.100 696 2HD LYS 91 2HD LYS 91 15.529 -4.278 7.022 697 1HE LYS 91 1HE LYS 91 14.698 -2.146 7.882 698 2HE LYS 91 2HE LYS 91 13.586 -3.005 8.948 699 1HZ LYS 91 1HZ LYS 91 15.391 -3.891 10.176 700 2HZ LYS 91 2HZ LYS 91 15.685 -2.232 10.015 701 3HZ LYS 91 3HZ LYS 91 16.531 -3.337 9.054 702 H LEU 92 H LEU 92 14.012 -5.628 2.176 703 HA LEU 92 HA LEU 92 14.035 -8.524 2.212 704 1HB LEU 92 1HB LEU 92 12.245 -8.003 0.956 705 2HB LEU 92 2HB LEU 92 12.851 -6.405 0.580 706 HG LEU 92 HG LEU 92 14.363 -7.528 -1.124 707 1HD1 LEU 92 1HD1 LEU 92 12.452 -9.816 -0.668 708 2HD1 LEU 92 2HD1 LEU 92 14.161 -9.814 -0.240 709 3HD1 LEU 92 3HD1 LEU 92 13.675 -9.715 -1.933 710 1HD2 LEU 92 1HD2 LEU 92 12.325 -6.254 -1.670 711 2HD2 LEU 92 2HD2 LEU 92 11.380 -7.735 -1.529 712 3HD2 LEU 92 3HD2 LEU 92 12.603 -7.585 -2.789 713 H ALA 93 H ALA 93 15.960 -5.874 1.052 714 HA ALA 93 HA ALA 93 17.506 -7.279 -0.851 715 1HB ALA 93 1HB ALA 93 17.392 -4.826 -0.752 716 2HB ALA 93 2HB ALA 93 19.055 -5.411 -0.711 717 3HB ALA 93 3HB ALA 93 18.279 -4.853 0.772 718 H GLU 94 H GLU 94 17.474 -7.313 2.572 719 HA GLU 94 HA GLU 94 20.200 -8.251 2.855 720 1HB GLU 94 1HB GLU 94 17.940 -8.042 4.856 721 2HB GLU 94 2HB GLU 94 19.586 -8.523 5.251 722 1HG GLU 94 1HG GLU 94 18.819 -5.871 4.054 723 2HG GLU 94 2HG GLU 94 19.088 -6.161 5.772 724 H THR 95 H THR 95 17.034 -9.547 2.445 725 HA THR 95 HA THR 95 18.101 -12.279 2.777 726 HB THR 95 HB THR 95 15.746 -12.991 3.219 727 HG1 THR 95 HG1 THR 95 14.667 -10.759 4.059 728 1HG2 THR 95 1HG2 THR 95 17.247 -12.693 5.091 729 2HG2 THR 95 2HG2 THR 95 15.643 -12.107 5.533 730 3HG2 THR 95 3HG2 THR 95 16.920 -10.961 5.121 731 H GLY 96 H GLY 96 17.871 -10.300 0.484 732 1HA GLY 96 1HA GLY 96 15.953 -10.930 -1.373 733 2HA GLY 96 2HA GLY 96 17.593 -10.457 -1.783 734 H THR 97 H THR 97 15.339 -12.710 -2.309 735 HA THR 97 HA THR 97 17.338 -14.662 -3.173 736 HB THR 97 HB THR 97 16.620 -15.567 -1.053 737 HG1 THR 97 HG1 THR 97 16.665 -17.397 -2.100 738 1HG2 THR 97 1HG2 THR 97 14.289 -16.080 -0.566 739 2HG2 THR 97 2HG2 THR 97 13.796 -15.390 -2.111 740 3HG2 THR 97 3HG2 THR 97 14.484 -14.352 -0.863 741 H GLY 98 H GLY 98 16.954 -15.403 -5.169 742 1HA GLY 98 1HA GLY 98 15.913 -15.774 -7.179 743 2HA GLY 98 2HA GLY 98 14.423 -15.948 -6.264 744 H PHE 99 H PHE 99 12.994 -14.803 -7.420 745 HA PHE 99 HA PHE 99 13.569 -12.408 -8.806 746 1HB PHE 99 1HB PHE 99 11.723 -13.666 -9.579 747 2HB PHE 99 2HB PHE 99 11.010 -13.763 -7.974 748 HD1 PHE 99 HD1 PHE 99 9.459 -12.174 -7.249 749 HD2 PHE 99 HD2 PHE 99 11.743 -11.435 -10.762 750 HE1 PHE 99 HE1 PHE 99 8.040 -10.230 -7.755 751 HE2 PHE 99 HE2 PHE 99 10.327 -9.487 -11.276 752 HZ PHE 99 HZ PHE 99 8.472 -8.883 -9.770 753 H ALA 100 H ALA 100 12.371 -13.087 -5.584 754 HA ALA 100 HA ALA 100 11.342 -10.650 -4.816 755 1HB ALA 100 1HB ALA 100 11.176 -12.576 -3.397 756 2HB ALA 100 2HB ALA 100 11.995 -11.288 -2.511 757 3HB ALA 100 3HB ALA 100 12.928 -12.624 -3.186 758 H ARG 101 H ARG 101 14.715 -11.583 -5.124 759 HA ARG 101 HA ARG 101 15.761 -9.312 -3.748 760 1HB ARG 101 1HB ARG 101 17.037 -11.379 -3.979 761 2HB ARG 101 2HB ARG 101 17.054 -11.177 -5.724 762 1HG ARG 101 1HG ARG 101 18.675 -9.599 -5.670 763 2HG ARG 101 2HG ARG 101 18.141 -8.948 -4.118 764 1HD ARG 101 1HD ARG 101 20.345 -10.076 -4.010 765 2HD ARG 101 2HD ARG 101 19.133 -10.789 -2.942 766 HE ARG 101 HE ARG 101 19.138 -12.145 -5.414 767 1HH1 ARG 101 1HH1 ARG 101 21.080 -11.747 -2.548 768 2HH1 ARG 101 2HH1 ARG 101 21.806 -13.314 -2.667 769 1HH2 ARG 101 1HH2 ARG 101 20.084 -14.211 -5.576 770 2HH2 ARG 101 2HH2 ARG 101 21.237 -14.718 -4.386 771 H LYS 102 H LYS 102 15.677 -10.167 -7.215 772 HA LYS 102 HA LYS 102 16.741 -7.875 -8.291 773 1HB LYS 102 1HB LYS 102 16.133 -9.885 -9.587 774 2HB LYS 102 2HB LYS 102 14.431 -9.491 -9.392 775 1HG LYS 102 1HG LYS 102 14.746 -7.443 -10.669 776 2HG LYS 102 2HG LYS 102 16.464 -7.809 -10.841 777 1HD LYS 102 1HD LYS 102 15.939 -9.825 -12.084 778 2HD LYS 102 2HD LYS 102 14.212 -9.543 -11.852 779 1HE LYS 102 1HE LYS 102 16.096 -7.706 -13.322 780 2HE LYS 102 2HE LYS 102 15.000 -8.857 -14.085 781 1HZ LYS 102 1HZ LYS 102 13.134 -7.673 -13.119 782 2HZ LYS 102 2HZ LYS 102 14.075 -6.622 -14.051 783 3HZ LYS 102 3HZ LYS 102 14.181 -6.579 -12.364 784 H VAL 103 H VAL 103 13.756 -8.297 -6.688 785 HA VAL 103 HA VAL 103 12.328 -6.085 -7.752 786 HB VAL 103 HB VAL 103 12.038 -7.679 -5.210 787 1HG1 VAL 103 1HG1 VAL 103 9.779 -6.621 -5.034 788 2HG1 VAL 103 2HG1 VAL 103 10.273 -5.476 -6.282 789 3HG1 VAL 103 3HG1 VAL 103 11.117 -5.511 -4.734 790 1HG2 VAL 103 1HG2 VAL 103 10.178 -8.715 -6.320 791 2HG2 VAL 103 2HG2 VAL 103 11.589 -8.808 -7.373 792 3HG2 VAL 103 3HG2 VAL 103 10.330 -7.618 -7.692 793 H ALA 104 H ALA 104 13.889 -6.539 -4.572 794 HA ALA 104 HA ALA 104 13.589 -3.936 -3.633 795 1HB ALA 104 1HB ALA 104 15.514 -4.521 -2.123 796 2HB ALA 104 2HB ALA 104 15.636 -6.046 -3.000 797 3HB ALA 104 3HB ALA 104 14.165 -5.654 -2.111 798 H VAL 105 H VAL 105 16.303 -5.392 -5.326 799 HA VAL 105 HA VAL 105 18.041 -3.180 -5.208 800 HB VAL 105 HB VAL 105 18.053 -5.400 -7.250 801 1HG1 VAL 105 1HG1 VAL 105 19.485 -3.606 -7.932 802 2HG1 VAL 105 2HG1 VAL 105 20.496 -4.910 -7.309 803 3HG1 VAL 105 3HG1 VAL 105 20.184 -3.485 -6.318 804 1HG2 VAL 105 1HG2 VAL 105 19.309 -5.245 -4.513 805 2HG2 VAL 105 2HG2 VAL 105 19.677 -6.480 -5.717 806 3HG2 VAL 105 3HG2 VAL 105 18.052 -6.362 -5.043 807 H ASN 106 H ASN 106 16.001 -4.350 -7.899 808 HA ASN 106 HA ASN 106 16.726 -2.284 -9.675 809 1HB ASN 106 1HB ASN 106 15.691 -4.381 -10.429 810 2HB ASN 106 2HB ASN 106 14.191 -3.933 -9.623 811 1HD2 ASN 106 1HD2 ASN 106 12.890 -2.347 -10.508 812 2HD2 ASN 106 2HD2 ASN 106 13.102 -1.768 -12.122 813 H TYR 107 H TYR 107 13.979 -2.594 -7.436 814 HA TYR 107 HA TYR 107 12.624 -0.293 -8.227 815 1HB TYR 107 1HB TYR 107 11.528 -1.969 -6.930 816 2HB TYR 107 2HB TYR 107 12.715 -1.828 -5.640 817 HD1 TYR 107 HD1 TYR 107 12.229 -0.609 -3.845 818 HD2 TYR 107 HD2 TYR 107 10.227 0.283 -7.462 819 HE1 TYR 107 HE1 TYR 107 10.864 1.070 -2.657 820 HE2 TYR 107 HE2 TYR 107 8.855 1.963 -6.313 821 HH TYR 107 HH TYR 107 9.569 3.125 -3.234 822 H LEU 108 H LEU 108 15.490 -0.706 -6.349 823 HA LEU 108 HA LEU 108 15.474 1.544 -4.723 824 1HB LEU 108 1HB LEU 108 17.429 -0.327 -5.707 825 2HB LEU 108 2HB LEU 108 18.105 1.288 -5.671 826 HG LEU 108 HG LEU 108 16.738 0.071 -3.282 827 1HD1 LEU 108 1HD1 LEU 108 19.038 -0.418 -2.460 828 2HD1 LEU 108 2HD1 LEU 108 19.636 -0.088 -4.086 829 3HD1 LEU 108 3HD1 LEU 108 18.523 -1.428 -3.810 830 1HD2 LEU 108 1HD2 LEU 108 17.006 2.503 -3.291 831 2HD2 LEU 108 2HD2 LEU 108 18.736 2.311 -3.575 832 3HD2 LEU 108 3HD2 LEU 108 18.023 1.747 -2.064 833 H GLU 109 H GLU 109 15.601 1.362 -8.127 834 HA GLU 109 HA GLU 109 16.966 3.808 -8.644 835 1HB GLU 109 1HB GLU 109 15.060 2.191 -10.343 836 2HB GLU 109 2HB GLU 109 15.982 3.569 -10.926 837 1HG GLU 109 1HG GLU 109 18.061 2.392 -10.428 838 2HG GLU 109 2HG GLU 109 17.136 1.009 -9.846 839 H THR 110 H THR 110 14.125 3.285 -7.125 840 HA THR 110 HA THR 110 13.183 5.988 -7.684 841 HB THR 110 HB THR 110 11.190 3.726 -7.657 842 HG1 THR 110 HG1 THR 110 12.078 4.997 -10.028 843 1HG2 THR 110 1HG2 THR 110 9.722 5.367 -8.683 844 2HG2 THR 110 2HG2 THR 110 11.035 6.543 -8.742 845 3HG2 THR 110 3HG2 THR 110 10.388 6.021 -7.186 846 H HIS 111 H HIS 111 14.533 4.714 -5.470 847 HA HIS 111 HA HIS 111 14.510 4.736 -3.199 848 1HB HIS 111 1HB HIS 111 11.842 6.142 -3.345 849 2HB HIS 111 2HB HIS 111 13.028 6.208 -2.047 850 HD1 HIS 111 HD1 HIS 111 12.022 7.874 -5.146 851 HD2 HIS 111 HD2 HIS 111 15.406 7.722 -2.739 852 HE1 HIS 111 HE1 HIS 111 13.421 9.848 -5.829 853 HE2 HIS 111 HE2 HIS 111 15.428 9.779 -4.307 Start of MODEL 40 1 H MET 1 H MET 1 -13.070 7.709 20.845 2 HA MET 1 HA MET 1 -13.868 9.438 18.583 3 1HB MET 1 1HB MET 1 -12.138 10.085 20.978 4 2HB MET 1 2HB MET 1 -12.303 11.105 19.554 5 1HG MET 1 1HG MET 1 -14.469 10.378 21.511 6 2HG MET 1 2HG MET 1 -13.684 11.946 21.330 7 1HE MET 1 1HE MET 1 -16.730 11.826 21.432 8 2HE MET 1 2HE MET 1 -17.257 12.745 20.021 9 3HE MET 1 3HE MET 1 -15.915 13.331 21.005 10 H ALA 2 H ALA 2 -12.739 8.869 16.864 11 HA ALA 2 HA ALA 2 -10.089 7.647 17.239 12 1HB ALA 2 1HB ALA 2 -11.710 6.256 16.048 13 2HB ALA 2 2HB ALA 2 -10.367 6.711 15.000 14 3HB ALA 2 3HB ALA 2 -11.922 7.528 14.844 15 H ASP 3 H ASP 3 -11.717 10.421 16.128 16 HA ASP 3 HA ASP 3 -11.063 12.351 15.132 17 1HB ASP 3 1HB ASP 3 -8.278 11.446 15.889 18 2HB ASP 3 2HB ASP 3 -8.773 13.092 15.502 19 H GLU 4 H GLU 4 -10.831 9.598 13.705 20 HA GLU 4 HA GLU 4 -9.542 10.690 11.299 21 1HB GLU 4 1HB GLU 4 -8.768 8.371 10.765 22 2HB GLU 4 2HB GLU 4 -7.982 9.087 12.165 23 1HG GLU 4 1HG GLU 4 -9.434 7.810 13.645 24 2HG GLU 4 2HG GLU 4 -10.248 7.106 12.247 25 H ASN 5 H ASN 5 -12.319 9.717 12.675 26 HA ASN 5 HA ASN 5 -13.418 8.593 10.187 27 1HB ASN 5 1HB ASN 5 -14.552 8.448 12.990 28 2HB ASN 5 2HB ASN 5 -15.229 7.680 11.556 29 1HD2 ASN 5 1HD2 ASN 5 -14.284 6.522 14.073 30 2HD2 ASN 5 2HD2 ASN 5 -13.078 5.367 13.637 31 H LYS 6 H LYS 6 -14.173 10.233 8.996 32 HA LYS 6 HA LYS 6 -16.396 11.767 9.963 33 1HB LYS 6 1HB LYS 6 -15.394 13.981 9.539 34 2HB LYS 6 2HB LYS 6 -14.591 13.136 10.855 35 1HG LYS 6 1HG LYS 6 -12.762 12.526 9.385 36 2HG LYS 6 2HG LYS 6 -13.579 13.295 8.023 37 1HD LYS 6 1HD LYS 6 -13.432 15.457 9.144 38 2HD LYS 6 2HD LYS 6 -12.646 14.695 10.529 39 1HE LYS 6 1HE LYS 6 -11.022 15.785 9.056 40 2HE LYS 6 2HE LYS 6 -10.770 14.041 9.125 41 1HZ LYS 6 1HZ LYS 6 -10.617 14.946 6.862 42 2HZ LYS 6 2HZ LYS 6 -12.230 15.449 6.955 43 3HZ LYS 6 3HZ LYS 6 -11.853 13.801 7.011 44 H TRP 7 H TRP 7 -14.506 10.403 7.567 45 HA TRP 7 HA TRP 7 -16.217 11.557 5.467 46 1HB TRP 7 1HB TRP 7 -14.329 11.351 3.896 47 2HB TRP 7 2HB TRP 7 -13.946 12.434 5.230 48 HD1 TRP 7 HD1 TRP 7 -12.363 11.290 7.233 49 HE1 TRP 7 HE1 TRP 7 -10.422 9.618 6.979 50 HE3 TRP 7 HE3 TRP 7 -13.432 9.511 2.561 51 HZ2 TRP 7 HZ2 TRP 7 -9.469 7.790 5.051 52 HZ3 TRP 7 HZ3 TRP 7 -11.954 7.803 1.583 53 HH2 TRP 7 HH2 TRP 7 -10.014 6.962 2.803 54 H VAL 8 H VAL 8 -16.432 9.099 7.125 55 HA VAL 8 HA VAL 8 -15.808 6.861 5.468 56 HB VAL 8 HB VAL 8 -16.009 6.625 7.897 57 1HG1 VAL 8 1HG1 VAL 8 -18.954 7.129 7.494 58 2HG1 VAL 8 2HG1 VAL 8 -17.816 8.251 8.241 59 3HG1 VAL 8 3HG1 VAL 8 -18.161 6.702 9.011 60 1HG2 VAL 8 1HG2 VAL 8 -18.146 5.016 6.510 61 2HG2 VAL 8 2HG2 VAL 8 -17.223 4.558 7.942 62 3HG2 VAL 8 3HG2 VAL 8 -16.417 4.695 6.379 63 H ARG 9 H ARG 9 -17.155 5.598 4.216 64 HA ARG 9 HA ARG 9 -18.889 5.030 2.861 65 1HB ARG 9 1HB ARG 9 -20.281 5.351 4.927 66 2HB ARG 9 2HB ARG 9 -20.564 7.009 4.417 67 1HG ARG 9 1HG ARG 9 -21.608 6.157 2.348 68 2HG ARG 9 2HG ARG 9 -21.400 4.513 2.958 69 1HD ARG 9 1HD ARG 9 -23.001 6.704 4.277 70 2HD ARG 9 2HD ARG 9 -23.663 5.340 3.376 71 HE ARG 9 HE ARG 9 -22.155 4.171 5.309 72 1HH1 ARG 9 1HH1 ARG 9 -24.724 6.529 5.334 73 2HH1 ARG 9 2HH1 ARG 9 -25.320 6.051 6.889 74 1HH2 ARG 9 1HH2 ARG 9 -22.934 3.538 7.355 75 2HH2 ARG 9 2HH2 ARG 9 -24.303 4.350 8.036 76 H ARG 10 H ARG 10 -17.899 8.287 3.229 77 HA ARG 10 HA ARG 10 -19.326 9.417 1.081 78 1HB ARG 10 1HB ARG 10 -16.605 10.090 2.223 79 2HB ARG 10 2HB ARG 10 -17.412 11.057 0.997 80 1HG ARG 10 1HG ARG 10 -19.308 11.359 2.590 81 2HG ARG 10 2HG ARG 10 -18.327 10.555 3.818 82 1HD ARG 10 1HD ARG 10 -18.129 12.956 4.048 83 2HD ARG 10 2HD ARG 10 -16.590 12.274 3.522 84 HE ARG 10 HE ARG 10 -17.176 13.052 1.258 85 1HH1 ARG 10 1HH1 ARG 10 -18.791 14.477 3.999 86 2HH1 ARG 10 2HH1 ARG 10 -19.168 15.951 3.172 87 1HH2 ARG 10 1HH2 ARG 10 -17.671 14.988 0.163 88 2HH2 ARG 10 2HH2 ARG 10 -18.532 16.242 0.992 89 H ASP 11 H ASP 11 -19.385 8.385 -0.802 90 HA ASP 11 HA ASP 11 -18.710 7.634 -2.841 91 1HB ASP 11 1HB ASP 11 -16.012 8.600 -1.906 92 2HB ASP 11 2HB ASP 11 -16.327 7.979 -3.521 93 H VAL 12 H VAL 12 -18.285 6.130 -0.092 94 HA VAL 12 HA VAL 12 -16.254 4.262 -0.393 95 HB VAL 12 HB VAL 12 -17.609 4.497 1.669 96 1HG1 VAL 12 1HG1 VAL 12 -19.686 2.831 0.261 97 2HG1 VAL 12 2HG1 VAL 12 -19.825 4.569 0.521 98 3HG1 VAL 12 3HG1 VAL 12 -19.755 3.474 1.901 99 1HG2 VAL 12 1HG2 VAL 12 -16.170 2.509 1.158 100 2HG2 VAL 12 2HG2 VAL 12 -17.634 1.662 0.659 101 3HG2 VAL 12 3HG2 VAL 12 -17.460 2.218 2.324 102 H SER 13 H SER 13 -19.664 3.926 -1.382 103 HA SER 13 HA SER 13 -20.683 2.551 -2.875 104 1HB SER 13 1HB SER 13 -19.420 4.021 -4.374 105 2HB SER 13 2HB SER 13 -18.050 2.913 -4.310 106 HG SER 13 HG SER 13 -19.179 2.394 -6.134 107 H THR 14 H THR 14 -17.522 1.280 -3.760 108 HA THR 14 HA THR 14 -18.374 -1.411 -3.377 109 HB THR 14 HB THR 14 -15.962 -1.973 -3.838 110 HG1 THR 14 HG1 THR 14 -15.703 0.669 -3.316 111 1HG2 THR 14 1HG2 THR 14 -17.619 -1.819 -5.638 112 2HG2 THR 14 2HG2 THR 14 -16.036 -1.258 -6.178 113 3HG2 THR 14 3HG2 THR 14 -17.300 -0.091 -5.787 114 H ALA 15 H ALA 15 -16.843 -2.960 -2.083 115 HA ALA 15 HA ALA 15 -16.792 -1.897 0.639 116 1HB ALA 15 1HB ALA 15 -16.711 -4.216 1.363 117 2HB ALA 15 2HB ALA 15 -16.561 -4.746 -0.313 118 3HB ALA 15 3HB ALA 15 -18.041 -3.958 0.233 119 H LEU 16 H LEU 16 -14.718 -4.285 -1.022 120 HA LEU 16 HA LEU 16 -12.466 -3.357 0.552 121 1HB LEU 16 1HB LEU 16 -11.314 -5.308 -0.095 122 2HB LEU 16 2HB LEU 16 -12.964 -5.783 0.235 123 HG LEU 16 HG LEU 16 -12.358 -7.022 -1.650 124 1HD1 LEU 16 1HD1 LEU 16 -14.539 -5.862 -1.865 125 2HD1 LEU 16 2HD1 LEU 16 -13.799 -6.308 -3.401 126 3HD1 LEU 16 3HD1 LEU 16 -13.738 -4.636 -2.846 127 1HD2 LEU 16 1HD2 LEU 16 -11.167 -6.262 -3.541 128 2HD2 LEU 16 2HD2 LEU 16 -10.308 -5.647 -2.128 129 3HD2 LEU 16 3HD2 LEU 16 -11.345 -4.574 -3.066 130 H SER 17 H SER 17 -13.682 -2.888 -2.615 131 HA SER 17 HA SER 17 -11.198 -2.358 -3.905 132 1HB SER 17 1HB SER 17 -13.979 -1.476 -4.693 133 2HB SER 17 2HB SER 17 -12.557 -1.465 -5.732 134 HG SER 17 HG SER 17 -12.703 -3.568 -5.977 135 H ARG 18 H ARG 18 -13.750 -0.169 -2.661 136 HA ARG 18 HA ARG 18 -11.669 1.872 -2.344 137 1HB ARG 18 1HB ARG 18 -12.755 2.375 -4.463 138 2HB ARG 18 2HB ARG 18 -14.334 2.338 -3.689 139 1HG ARG 18 1HG ARG 18 -13.835 4.303 -2.422 140 2HG ARG 18 2HG ARG 18 -12.155 4.283 -2.965 141 1HD ARG 18 1HD ARG 18 -14.566 4.663 -4.737 142 2HD ARG 18 2HD ARG 18 -13.504 5.950 -4.167 143 HE ARG 18 HE ARG 18 -12.185 3.821 -5.612 144 1HH1 ARG 18 1HH1 ARG 18 -13.733 6.940 -5.802 145 2HH1 ARG 18 2HH1 ARG 18 -12.964 7.372 -7.292 146 1HH2 ARG 18 1HH2 ARG 18 -11.172 4.384 -7.576 147 2HH2 ARG 18 2HH2 ARG 18 -11.512 5.919 -8.302 148 H MET 19 H MET 19 -11.649 1.854 -0.166 149 HA MET 19 HA MET 19 -14.092 2.778 1.172 150 1HB MET 19 1HB MET 19 -13.117 1.311 3.155 151 2HB MET 19 2HB MET 19 -14.203 0.632 1.950 152 1HG MET 19 1HG MET 19 -12.539 -0.945 2.079 153 2HG MET 19 2HG MET 19 -12.053 0.006 0.683 154 1HE MET 19 1HE MET 19 -10.023 -1.935 2.042 155 2HE MET 19 2HE MET 19 -8.587 -0.917 2.151 156 3HE MET 19 3HE MET 19 -9.601 -0.859 0.710 157 H GLY 20 H GLY 20 -10.583 2.378 1.335 158 1HA GLY 20 1HA GLY 20 -9.088 4.136 1.822 159 2HA GLY 20 2HA GLY 20 -10.398 5.007 2.601 160 H ASP 21 H ASP 21 -11.265 2.827 4.283 161 HA ASP 21 HA ASP 21 -9.003 2.010 5.865 162 1HB ASP 21 1HB ASP 21 -9.102 4.262 6.663 163 2HB ASP 21 2HB ASP 21 -10.850 4.181 6.857 164 H GLU 22 H GLU 22 -12.335 1.893 5.085 165 HA GLU 22 HA GLU 22 -13.283 0.456 7.328 166 1HB GLU 22 1HB GLU 22 -14.347 0.466 4.503 167 2HB GLU 22 2HB GLU 22 -15.216 -0.078 5.931 168 1HG GLU 22 1HG GLU 22 -14.268 2.729 5.399 169 2HG GLU 22 2HG GLU 22 -15.925 2.143 5.256 170 H ALA 23 H ALA 23 -12.064 -0.637 4.158 171 HA ALA 23 HA ALA 23 -12.139 -3.390 5.185 172 1HB ALA 23 1HB ALA 23 -11.811 -2.538 2.318 173 2HB ALA 23 2HB ALA 23 -13.355 -2.938 3.073 174 3HB ALA 23 3HB ALA 23 -12.100 -4.169 2.925 175 H PHE 24 H PHE 24 -9.996 -0.920 4.962 176 HA PHE 24 HA PHE 24 -7.696 -1.904 3.813 177 1HB PHE 24 1HB PHE 24 -8.188 0.375 4.936 178 2HB PHE 24 2HB PHE 24 -7.651 -0.404 6.417 179 HD1 PHE 24 HD1 PHE 24 -5.616 -2.088 4.435 180 HD2 PHE 24 HD2 PHE 24 -6.340 1.978 5.449 181 HE1 PHE 24 HE1 PHE 24 -3.296 -1.545 3.883 182 HE2 PHE 24 HE2 PHE 24 -4.019 2.528 4.896 183 HZ PHE 24 HZ PHE 24 -2.486 0.769 4.112 184 H GLU 25 H GLU 25 -8.799 -2.319 7.169 185 HA GLU 25 HA GLU 25 -6.657 -3.955 7.960 186 1HB GLU 25 1HB GLU 25 -9.175 -3.074 9.089 187 2HB GLU 25 2HB GLU 25 -8.800 -4.737 9.513 188 1HG GLU 25 1HG GLU 25 -6.601 -4.010 10.340 189 2HG GLU 25 2HG GLU 25 -7.035 -2.344 9.965 190 HA PRO 26 HA PRO 26 -9.857 -7.739 7.262 191 1HB PRO 26 1HB PRO 26 -11.020 -6.529 4.799 192 2HB PRO 26 2HB PRO 26 -11.764 -7.613 5.978 193 1HG PRO 26 1HG PRO 26 -12.268 -4.960 5.909 194 2HG PRO 26 2HG PRO 26 -12.305 -5.908 7.405 195 1HD PRO 26 1HD PRO 26 -10.359 -3.893 6.517 196 2HD PRO 26 2HD PRO 26 -10.678 -4.508 8.145 197 H LEU 27 H LEU 27 -8.432 -5.632 4.865 198 HA LEU 27 HA LEU 27 -7.705 -7.546 2.943 199 1HB LEU 27 1HB LEU 27 -6.684 -4.839 3.713 200 2HB LEU 27 2HB LEU 27 -5.875 -5.769 2.463 201 HG LEU 27 HG LEU 27 -8.789 -4.984 2.363 202 1HD1 LEU 27 1HD1 LEU 27 -8.100 -3.297 0.736 203 2HD1 LEU 27 2HD1 LEU 27 -6.409 -3.715 1.014 204 3HD1 LEU 27 3HD1 LEU 27 -7.367 -3.001 2.312 205 1HD2 LEU 27 1HD2 LEU 27 -8.165 -6.988 1.069 206 2HD2 LEU 27 2HD2 LEU 27 -6.943 -6.037 0.224 207 3HD2 LEU 27 3HD2 LEU 27 -8.651 -5.640 0.040 208 H LEU 28 H LEU 28 -5.731 -6.008 5.483 209 HA LEU 28 HA LEU 28 -3.525 -7.773 5.143 210 1HB LEU 28 1HB LEU 28 -2.497 -6.592 6.852 211 2HB LEU 28 2HB LEU 28 -3.601 -5.402 6.192 212 HG LEU 28 HG LEU 28 -5.139 -6.520 8.150 213 1HD1 LEU 28 1HD1 LEU 28 -3.292 -7.894 8.959 214 2HD1 LEU 28 2HD1 LEU 28 -3.764 -6.687 10.155 215 3HD1 LEU 28 3HD1 LEU 28 -2.309 -6.447 9.187 216 1HD2 LEU 28 1HD2 LEU 28 -4.782 -4.490 9.360 217 2HD2 LEU 28 2HD2 LEU 28 -4.723 -4.116 7.638 218 3HD2 LEU 28 3HD2 LEU 28 -3.229 -4.230 8.567 219 H GLU 29 H GLU 29 -6.510 -7.989 6.782 220 HA GLU 29 HA GLU 29 -5.733 -9.872 8.778 221 1HB GLU 29 1HB GLU 29 -7.739 -8.494 9.048 222 2HB GLU 29 2HB GLU 29 -8.458 -9.238 7.627 223 1HG GLU 29 1HG GLU 29 -9.390 -10.163 9.664 224 2HG GLU 29 2HG GLU 29 -8.505 -11.391 8.761 225 H SER 30 H SER 30 -7.079 -10.030 5.536 226 HA SER 30 HA SER 30 -7.541 -12.815 5.463 227 1HB SER 30 1HB SER 30 -6.982 -10.950 3.145 228 2HB SER 30 2HB SER 30 -7.757 -12.532 3.052 229 HG SER 30 HG SER 30 -8.831 -10.123 3.665 230 H LEU 31 H LEU 31 -4.663 -11.134 5.647 231 HA LEU 31 HA LEU 31 -2.986 -12.537 3.888 232 1HB LEU 31 1HB LEU 31 -2.397 -11.250 6.553 233 2HB LEU 31 2HB LEU 31 -1.159 -11.890 5.491 234 HG LEU 31 HG LEU 31 -3.050 -9.648 4.771 235 1HD1 LEU 31 1HD1 LEU 31 -1.057 -8.215 4.983 236 2HD1 LEU 31 2HD1 LEU 31 -0.160 -9.591 5.627 237 3HD1 LEU 31 3HD1 LEU 31 -1.536 -8.940 6.517 238 1HD2 LEU 31 1HD2 LEU 31 -1.500 -9.318 2.882 239 2HD2 LEU 31 2HD2 LEU 31 -2.321 -10.877 2.821 240 3HD2 LEU 31 3HD2 LEU 31 -0.642 -10.785 3.354 241 H SER 32 H SER 32 -4.534 -13.491 6.782 242 HA SER 32 HA SER 32 -2.720 -15.726 7.255 243 1HB SER 32 1HB SER 32 -4.126 -16.164 9.233 244 2HB SER 32 2HB SER 32 -3.566 -14.492 9.200 245 HG SER 32 HG SER 32 -6.053 -15.361 9.335 246 H ASN 33 H ASN 33 -4.830 -15.293 4.973 247 HA ASN 33 HA ASN 33 -6.670 -17.453 5.284 248 1HB ASN 33 1HB ASN 33 -6.900 -15.385 3.772 249 2HB ASN 33 2HB ASN 33 -5.858 -16.250 2.645 250 1HD2 ASN 33 1HD2 ASN 33 -8.955 -16.209 4.235 251 2HD2 ASN 33 2HD2 ASN 33 -9.735 -17.331 3.178 252 H GLU 34 H GLU 34 -6.568 -19.527 4.549 253 HA GLU 34 HA GLU 34 -4.051 -20.736 4.253 254 1HB GLU 34 1HB GLU 34 -5.832 -22.025 5.149 255 2HB GLU 34 2HB GLU 34 -6.866 -21.695 3.765 256 1HG GLU 34 1HG GLU 34 -6.098 -23.945 3.639 257 2HG GLU 34 2HG GLU 34 -5.327 -23.012 2.359 258 H ASP 35 H ASP 35 -6.379 -19.523 1.943 259 HA ASP 35 HA ASP 35 -5.141 -20.756 -0.336 260 1HB ASP 35 1HB ASP 35 -7.568 -20.101 -0.219 261 2HB ASP 35 2HB ASP 35 -7.059 -18.417 -0.301 262 H TRP 36 H TRP 36 -3.894 -19.739 -1.941 263 HA TRP 36 HA TRP 36 -2.257 -17.565 -0.920 264 1HB TRP 36 1HB TRP 36 -0.800 -18.051 -2.865 265 2HB TRP 36 2HB TRP 36 -1.079 -19.459 -1.850 266 HD1 TRP 36 HD1 TRP 36 -2.993 -21.244 -2.852 267 HE1 TRP 36 HE1 TRP 36 -3.399 -21.930 -5.300 268 HE3 TRP 36 HE3 TRP 36 -0.701 -17.320 -5.194 269 HZ2 TRP 36 HZ2 TRP 36 -2.826 -20.948 -7.873 270 HZ3 TRP 36 HZ3 TRP 36 -0.674 -17.272 -7.655 271 HH2 TRP 36 HH2 TRP 36 -1.716 -19.052 -8.962 272 H ARG 37 H ARG 37 -4.409 -18.216 -3.656 273 HA ARG 37 HA ARG 37 -3.964 -15.847 -5.072 274 1HB ARG 37 1HB ARG 37 -5.185 -17.791 -5.975 275 2HB ARG 37 2HB ARG 37 -6.514 -17.459 -4.873 276 1HG ARG 37 1HG ARG 37 -6.884 -15.308 -5.959 277 2HG ARG 37 2HG ARG 37 -5.548 -15.639 -7.063 278 1HD ARG 37 1HD ARG 37 -6.728 -17.559 -7.959 279 2HD ARG 37 2HD ARG 37 -8.039 -17.320 -6.805 280 HE ARG 37 HE ARG 37 -7.666 -14.982 -8.345 281 1HH1 ARG 37 1HH1 ARG 37 -8.888 -18.236 -8.592 282 2HH1 ARG 37 2HH1 ARG 37 -10.024 -17.851 -9.840 283 1HH2 ARG 37 1HH2 ARG 37 -9.160 -14.467 -9.988 284 2HH2 ARG 37 2HH2 ARG 37 -10.179 -15.709 -10.635 285 H ILE 38 H ILE 38 -5.737 -16.488 -2.176 286 HA ILE 38 HA ILE 38 -7.287 -14.058 -2.254 287 HB ILE 38 HB ILE 38 -6.824 -16.018 -0.003 288 1HG1 ILE 38 1HG1 ILE 38 -8.007 -16.953 -1.968 289 2HG1 ILE 38 2HG1 ILE 38 -9.038 -16.871 -0.544 290 1HG2 ILE 38 1HG2 ILE 38 -8.759 -14.958 1.071 291 2HG2 ILE 38 2HG2 ILE 38 -8.802 -13.752 -0.215 292 3HG2 ILE 38 3HG2 ILE 38 -7.416 -13.832 0.871 293 1HD1 ILE 38 1HD1 ILE 38 -10.190 -16.213 -2.610 294 2HD1 ILE 38 2HD1 ILE 38 -9.053 -14.878 -2.800 295 3HD1 ILE 38 3HD1 ILE 38 -10.146 -14.916 -1.416 296 H ARG 39 H ARG 39 -4.505 -15.255 -0.384 297 HA ARG 39 HA ARG 39 -4.126 -12.915 1.139 298 1HB ARG 39 1HB ARG 39 -3.126 -15.007 1.825 299 2HB ARG 39 2HB ARG 39 -2.185 -15.092 0.342 300 1HG ARG 39 1HG ARG 39 -0.896 -13.151 1.017 301 2HG ARG 39 2HG ARG 39 -1.873 -12.991 2.478 302 1HD ARG 39 1HD ARG 39 0.329 -14.101 2.838 303 2HD ARG 39 2HD ARG 39 -1.060 -15.069 3.333 304 HE ARG 39 HE ARG 39 -0.132 -15.592 0.651 305 1HH1 ARG 39 1HH1 ARG 39 0.160 -16.427 4.023 306 2HH1 ARG 39 2HH1 ARG 39 0.793 -18.008 3.708 307 1HH2 ARG 39 1HH2 ARG 39 0.696 -17.673 0.229 308 2HH2 ARG 39 2HH2 ARG 39 1.097 -18.716 1.552 309 H GLY 40 H GLY 40 -3.378 -13.678 -2.132 310 1HA GLY 40 1HA GLY 40 -1.231 -11.856 -2.518 311 2HA GLY 40 2HA GLY 40 -2.237 -12.551 -3.780 312 H ALA 41 H ALA 41 -4.633 -11.600 -3.563 313 HA ALA 41 HA ALA 41 -4.605 -9.028 -4.506 314 1HB ALA 41 1HB ALA 41 -6.995 -8.987 -4.166 315 2HB ALA 41 2HB ALA 41 -6.882 -10.315 -3.012 316 3HB ALA 41 3HB ALA 41 -6.498 -10.589 -4.711 317 H ALA 42 H ALA 42 -4.318 -10.059 -1.245 318 HA ALA 42 HA ALA 42 -5.346 -7.843 0.125 319 1HB ALA 42 1HB ALA 42 -4.121 -8.613 2.024 320 2HB ALA 42 2HB ALA 42 -3.013 -9.531 1.004 321 3HB ALA 42 3HB ALA 42 -4.699 -10.028 1.143 322 H ALA 43 H ALA 43 -1.961 -8.538 -0.777 323 HA ALA 43 HA ALA 43 -1.041 -5.949 0.014 324 1HB ALA 43 1HB ALA 43 0.563 -7.645 0.133 325 2HB ALA 43 2HB ALA 43 1.042 -6.671 -1.258 326 3HB ALA 43 3HB ALA 43 0.215 -8.210 -1.500 327 H TRP 44 H TRP 44 -2.342 -7.313 -2.891 328 HA TRP 44 HA TRP 44 -1.277 -5.645 -4.830 329 1HB TRP 44 1HB TRP 44 -3.719 -7.286 -4.578 330 2HB TRP 44 2HB TRP 44 -3.757 -6.039 -5.817 331 HD1 TRP 44 HD1 TRP 44 -1.632 -9.092 -4.782 332 HE1 TRP 44 HE1 TRP 44 -0.476 -10.021 -6.883 333 HE3 TRP 44 HE3 TRP 44 -3.118 -5.552 -8.160 334 HZ2 TRP 44 HZ2 TRP 44 -0.225 -9.349 -9.607 335 HZ3 TRP 44 HZ3 TRP 44 -2.378 -5.772 -10.497 336 HH2 TRP 44 HH2 TRP 44 -0.962 -7.632 -11.204 337 H ILE 45 H ILE 45 -3.926 -5.077 -2.578 338 HA ILE 45 HA ILE 45 -4.363 -2.408 -3.722 339 HB ILE 45 HB ILE 45 -5.972 -3.834 -1.598 340 1HG1 ILE 45 1HG1 ILE 45 -6.628 -3.448 -4.526 341 2HG1 ILE 45 2HG1 ILE 45 -6.002 -4.946 -3.846 342 1HG2 ILE 45 1HG2 ILE 45 -6.530 -1.330 -3.185 343 2HG2 ILE 45 2HG2 ILE 45 -6.176 -1.423 -1.461 344 3HG2 ILE 45 3HG2 ILE 45 -7.669 -2.118 -2.094 345 1HD1 ILE 45 1HD1 ILE 45 -8.614 -3.629 -3.139 346 2HD1 ILE 45 2HD1 ILE 45 -7.985 -5.113 -2.421 347 3HD1 ILE 45 3HD1 ILE 45 -8.398 -5.069 -4.135 348 H ILE 46 H ILE 46 -3.082 -4.055 -0.971 349 HA ILE 46 HA ILE 46 -3.213 -2.103 0.996 350 HB ILE 46 HB ILE 46 -1.988 -4.622 0.678 351 1HG1 ILE 46 1HG1 ILE 46 -1.933 -4.591 3.126 352 2HG1 ILE 46 2HG1 ILE 46 -2.202 -2.852 3.118 353 1HG2 ILE 46 1HG2 ILE 46 0.157 -3.634 0.297 354 2HG2 ILE 46 2HG2 ILE 46 0.129 -4.299 1.930 355 3HG2 ILE 46 3HG2 ILE 46 -0.038 -2.562 1.684 356 1HD1 ILE 46 1HD1 ILE 46 -4.385 -3.205 2.082 357 2HD1 ILE 46 2HD1 ILE 46 -4.244 -4.061 3.618 358 3HD1 ILE 46 3HD1 ILE 46 -4.107 -4.947 2.098 359 H GLY 47 H GLY 47 -0.655 -2.595 -1.441 360 1HA GLY 47 1HA GLY 47 1.082 -0.600 -0.503 361 2HA GLY 47 2HA GLY 47 1.036 -1.215 -2.146 362 H ASN 48 H ASN 48 -1.887 -0.304 -2.238 363 HA ASN 48 HA ASN 48 -1.344 2.196 -3.472 364 1HB ASN 48 1HB ASN 48 -3.918 0.753 -2.864 365 2HB ASN 48 2HB ASN 48 -3.862 2.294 -3.712 366 1HD2 ASN 48 1HD2 ASN 48 -3.091 -1.092 -3.859 367 2HD2 ASN 48 2HD2 ASN 48 -2.813 -1.161 -5.563 368 H PHE 49 H PHE 49 -2.219 1.365 -0.210 369 HA PHE 49 HA PHE 49 -3.242 4.049 0.297 370 1HB PHE 49 1HB PHE 49 -2.998 1.619 2.061 371 2HB PHE 49 2HB PHE 49 -3.590 3.178 2.628 372 HD1 PHE 49 HD1 PHE 49 -4.697 0.102 1.802 373 HD2 PHE 49 HD2 PHE 49 -5.376 4.158 0.706 374 HE1 PHE 49 HE1 PHE 49 -6.957 -0.487 1.038 375 HE2 PHE 49 HE2 PHE 49 -7.640 3.576 -0.058 376 HZ PHE 49 HZ PHE 49 -8.433 1.250 0.108 377 H GLN 50 H GLN 50 -0.345 2.183 0.839 378 HA GLN 50 HA GLN 50 1.727 2.766 1.588 379 1HB GLN 50 1HB GLN 50 0.783 5.629 1.541 380 2HB GLN 50 2HB GLN 50 2.435 5.044 1.428 381 1HG GLN 50 1HG GLN 50 2.268 5.096 -0.769 382 2HG GLN 50 2HG GLN 50 1.030 3.843 -0.682 383 1HE2 GLN 50 1HE2 GLN 50 0.616 7.041 0.658 384 2HE2 GLN 50 2HE2 GLN 50 -0.574 7.574 -0.474 385 H ASP 51 H ASP 51 -0.526 2.339 3.505 386 HA ASP 51 HA ASP 51 0.276 4.053 5.738 387 1HB ASP 51 1HB ASP 51 -2.166 3.562 5.178 388 2HB ASP 51 2HB ASP 51 -1.866 1.936 5.789 389 H GLU 52 H GLU 52 0.394 2.912 7.917 390 HA GLU 52 HA GLU 52 2.607 1.251 8.019 391 1HB GLU 52 1HB GLU 52 2.096 2.396 9.991 392 2HB GLU 52 2HB GLU 52 0.416 1.878 9.972 393 1HG GLU 52 1HG GLU 52 1.133 -0.405 10.510 394 2HG GLU 52 2HG GLU 52 2.805 0.154 10.588 395 H ARG 53 H ARG 53 -0.812 0.345 8.424 396 HA ARG 53 HA ARG 53 -0.388 -2.417 8.681 397 1HB ARG 53 1HB ARG 53 -2.823 -2.564 7.909 398 2HB ARG 53 2HB ARG 53 -2.494 -1.637 9.367 399 1HG ARG 53 1HG ARG 53 -2.493 0.417 7.922 400 2HG ARG 53 2HG ARG 53 -3.097 -0.604 6.618 401 1HD ARG 53 1HD ARG 53 -5.133 -0.923 7.627 402 2HD ARG 53 2HD ARG 53 -4.490 -0.655 9.248 403 HE ARG 53 HE ARG 53 -4.610 1.618 7.415 404 1HH1 ARG 53 1HH1 ARG 53 -5.886 -0.049 10.197 405 2HH1 ARG 53 2HH1 ARG 53 -6.717 1.341 10.808 406 1HH2 ARG 53 1HH2 ARG 53 -5.691 3.452 8.217 407 2HH2 ARG 53 2HH2 ARG 53 -6.606 3.332 9.682 408 H ALA 54 H ALA 54 0.164 -0.475 6.033 409 HA ALA 54 HA ALA 54 -0.367 -2.632 4.105 410 1HB ALA 54 1HB ALA 54 0.107 0.313 3.675 411 2HB ALA 54 2HB ALA 54 -1.410 -0.562 3.481 412 3HB ALA 54 3HB ALA 54 -0.069 -0.872 2.381 413 H VAL 55 H VAL 55 2.104 -0.895 5.724 414 HA VAL 55 HA VAL 55 4.205 -1.349 3.850 415 HB VAL 55 HB VAL 55 4.280 -0.630 6.780 416 1HG1 VAL 55 1HG1 VAL 55 6.524 -0.703 4.772 417 2HG1 VAL 55 2HG1 VAL 55 6.336 -1.759 6.172 418 3HG1 VAL 55 3HG1 VAL 55 6.628 -0.035 6.400 419 1HG2 VAL 55 1HG2 VAL 55 4.628 1.007 4.271 420 2HG2 VAL 55 2HG2 VAL 55 4.921 1.598 5.906 421 3HG2 VAL 55 3HG2 VAL 55 3.300 1.104 5.425 422 H GLU 56 H GLU 56 3.440 -2.837 7.009 423 HA GLU 56 HA GLU 56 5.464 -4.729 7.038 424 1HB GLU 56 1HB GLU 56 3.969 -4.199 8.950 425 2HB GLU 56 2HB GLU 56 2.685 -5.103 8.160 426 1HG GLU 56 1HG GLU 56 4.303 -7.076 8.170 427 2HG GLU 56 2HG GLU 56 5.256 -6.125 9.309 428 HA PRO 57 HA PRO 57 2.011 -7.754 4.917 429 1HB PRO 57 1HB PRO 57 1.426 -5.598 2.927 430 2HB PRO 57 2HB PRO 57 0.401 -6.931 3.472 431 1HG PRO 57 1HG PRO 57 0.061 -4.446 4.397 432 2HG PRO 57 2HG PRO 57 -0.177 -5.864 5.432 433 1HD PRO 57 1HD PRO 57 1.993 -3.863 5.455 434 2HD PRO 57 2HD PRO 57 1.418 -4.920 6.755 435 H LEU 58 H LEU 58 3.701 -5.196 3.100 436 HA LEU 58 HA LEU 58 4.547 -6.871 1.008 437 1HB LEU 58 1HB LEU 58 6.110 -4.467 1.877 438 2HB LEU 58 2HB LEU 58 5.871 -5.093 0.259 439 HG LEU 58 HG LEU 58 3.953 -3.500 1.934 440 1HD1 LEU 58 1HD1 LEU 58 5.533 -2.211 0.673 441 2HD1 LEU 58 2HD1 LEU 58 3.938 -2.064 -0.066 442 3HD1 LEU 58 3HD1 LEU 58 5.153 -3.116 -0.792 443 1HD2 LEU 58 1HD2 LEU 58 2.666 -5.331 0.974 444 2HD2 LEU 58 2HD2 LEU 58 3.332 -4.977 -0.619 445 3HD2 LEU 58 3HD2 LEU 58 2.277 -3.807 0.176 446 H ILE 59 H ILE 59 6.107 -5.907 4.032 447 HA ILE 59 HA ILE 59 8.636 -6.911 3.628 448 HB ILE 59 HB ILE 59 7.056 -6.948 6.196 449 1HG1 ILE 59 1HG1 ILE 59 7.325 -4.714 5.122 450 2HG1 ILE 59 2HG1 ILE 59 8.139 -4.833 6.678 451 1HG2 ILE 59 1HG2 ILE 59 8.901 -8.446 6.438 452 2HG2 ILE 59 2HG2 ILE 59 9.309 -6.950 7.275 453 3HG2 ILE 59 3HG2 ILE 59 10.006 -7.292 5.692 454 1HD1 ILE 59 1HD1 ILE 59 9.511 -5.139 4.019 455 2HD1 ILE 59 2HD1 ILE 59 10.270 -5.044 5.607 456 3HD1 ILE 59 3HD1 ILE 59 9.436 -3.639 4.943 457 H LYS 60 H LYS 60 5.908 -8.687 5.091 458 HA LYS 60 HA LYS 60 7.320 -11.149 5.243 459 1HB LYS 60 1HB LYS 60 4.324 -10.797 5.226 460 2HB LYS 60 2HB LYS 60 5.247 -12.108 5.950 461 1HG LYS 60 1HG LYS 60 5.307 -9.237 6.860 462 2HG LYS 60 2HG LYS 60 4.369 -10.530 7.611 463 1HD LYS 60 1HD LYS 60 6.378 -11.717 8.197 464 2HD LYS 60 2HD LYS 60 7.370 -10.562 7.305 465 1HE LYS 60 1HE LYS 60 7.452 -10.136 9.710 466 2HE LYS 60 2HE LYS 60 6.709 -8.791 8.844 467 1HZ LYS 60 1HZ LYS 60 5.523 -9.409 10.896 468 2HZ LYS 60 2HZ LYS 60 5.192 -10.931 10.236 469 3HZ LYS 60 3HZ LYS 60 4.550 -9.541 9.518 470 H LEU 61 H LEU 61 4.841 -9.942 3.019 471 HA LEU 61 HA LEU 61 4.525 -12.260 1.486 472 1HB LEU 61 1HB LEU 61 3.641 -9.542 1.439 473 2HB LEU 61 2HB LEU 61 4.099 -10.027 -0.181 474 HG LEU 61 HG LEU 61 2.570 -11.875 -0.119 475 1HD1 LEU 61 1HD1 LEU 61 1.049 -12.224 1.780 476 2HD1 LEU 61 2HD1 LEU 61 1.912 -10.982 2.686 477 3HD1 LEU 61 3HD1 LEU 61 2.734 -12.475 2.234 478 1HD2 LEU 61 1HD2 LEU 61 1.636 -9.825 -0.888 479 2HD2 LEU 61 2HD2 LEU 61 1.356 -9.274 0.762 480 3HD2 LEU 61 3HD2 LEU 61 0.429 -10.628 0.117 481 H LEU 62 H LEU 62 6.806 -9.578 1.019 482 HA LEU 62 HA LEU 62 7.659 -10.276 -1.540 483 1HB LEU 62 1HB LEU 62 9.110 -8.935 0.733 484 2HB LEU 62 2HB LEU 62 9.805 -9.118 -0.869 485 HG LEU 62 HG LEU 62 7.143 -7.783 -0.478 486 1HD1 LEU 62 1HD1 LEU 62 8.202 -5.654 -0.293 487 2HD1 LEU 62 2HD1 LEU 62 9.801 -6.357 -0.528 488 3HD1 LEU 62 3HD1 LEU 62 8.900 -6.691 0.951 489 1HD2 LEU 62 1HD2 LEU 62 9.267 -7.691 -2.617 490 2HD2 LEU 62 2HD2 LEU 62 7.839 -6.657 -2.585 491 3HD2 LEU 62 3HD2 LEU 62 7.660 -8.406 -2.734 492 H GLU 63 H GLU 63 8.006 -11.864 1.399 493 HA GLU 63 HA GLU 63 10.248 -13.491 0.461 494 1HB GLU 63 1HB GLU 63 8.944 -13.038 3.121 495 2HB GLU 63 2HB GLU 63 9.878 -14.499 2.848 496 1HG GLU 63 1HG GLU 63 11.816 -13.096 2.229 497 2HG GLU 63 2HG GLU 63 10.863 -11.666 2.627 498 H ASP 64 H ASP 64 6.833 -13.529 1.144 499 HA ASP 64 HA ASP 64 6.390 -16.310 1.128 500 1HB ASP 64 1HB ASP 64 4.611 -13.957 0.509 501 2HB ASP 64 2HB ASP 64 4.026 -15.614 0.412 502 H ASP 65 H ASP 65 7.617 -17.177 -0.510 503 HA ASP 65 HA ASP 65 7.427 -16.360 -3.235 504 1HB ASP 65 1HB ASP 65 8.501 -18.962 -2.145 505 2HB ASP 65 2HB ASP 65 8.864 -18.241 -3.709 506 H SER 66 H SER 66 4.836 -16.864 -2.304 507 HA SER 66 HA SER 66 4.014 -19.458 -3.287 508 1HB SER 66 1HB SER 66 2.927 -18.401 -1.306 509 2HB SER 66 2HB SER 66 2.300 -17.140 -2.367 510 HG SER 66 HG SER 66 1.446 -19.097 -3.591 511 H GLY 67 H GLY 67 4.068 -16.142 -4.383 512 1HA GLY 67 1HA GLY 67 4.188 -15.998 -6.888 513 2HA GLY 67 2HA GLY 67 2.719 -16.967 -6.885 514 H PHE 68 H PHE 68 0.789 -15.921 -6.831 515 HA PHE 68 HA PHE 68 0.466 -13.236 -7.300 516 1HB PHE 68 1HB PHE 68 -1.252 -15.308 -7.044 517 2HB PHE 68 2HB PHE 68 -1.578 -14.477 -5.531 518 HD1 PHE 68 HD1 PHE 68 -2.794 -14.904 -8.640 519 HD2 PHE 68 HD2 PHE 68 -1.689 -11.701 -6.044 520 HE1 PHE 68 HE1 PHE 68 -4.340 -13.408 -9.829 521 HE2 PHE 68 HE2 PHE 68 -3.239 -10.212 -7.235 522 HZ PHE 68 HZ PHE 68 -4.565 -11.062 -9.127 523 H VAL 69 H VAL 69 1.012 -14.916 -4.341 524 HA VAL 69 HA VAL 69 0.360 -12.868 -2.507 525 HB VAL 69 HB VAL 69 2.279 -15.181 -2.173 526 1HG1 VAL 69 1HG1 VAL 69 0.840 -13.461 -0.164 527 2HG1 VAL 69 2HG1 VAL 69 2.582 -13.603 -0.404 528 3HG1 VAL 69 3HG1 VAL 69 1.664 -14.969 0.229 529 1HG2 VAL 69 1HG2 VAL 69 0.097 -15.954 -2.909 530 2HG2 VAL 69 2HG2 VAL 69 -0.684 -15.020 -1.634 531 3HG2 VAL 69 3HG2 VAL 69 0.361 -16.379 -1.218 532 H ARG 70 H ARG 70 3.540 -14.030 -3.689 533 HA ARG 70 HA ARG 70 5.019 -11.959 -2.460 534 1HB ARG 70 1HB ARG 70 5.640 -14.290 -3.796 535 2HB ARG 70 2HB ARG 70 6.221 -13.045 -4.887 536 1HG ARG 70 1HG ARG 70 7.293 -12.072 -2.696 537 2HG ARG 70 2HG ARG 70 7.139 -13.744 -2.154 538 1HD ARG 70 1HD ARG 70 8.671 -12.689 -4.516 539 2HD ARG 70 2HD ARG 70 9.296 -13.543 -3.105 540 HE ARG 70 HE ARG 70 7.444 -15.171 -4.482 541 1HH1 ARG 70 1HH1 ARG 70 10.684 -13.913 -4.725 542 2HH1 ARG 70 2HH1 ARG 70 11.258 -15.223 -5.702 543 1HH2 ARG 70 1HH2 ARG 70 8.191 -16.901 -5.766 544 2HH2 ARG 70 2HH2 ARG 70 9.841 -16.923 -6.291 545 H SER 71 H SER 71 4.121 -12.433 -5.874 546 HA SER 71 HA SER 71 5.150 -10.127 -6.956 547 1HB SER 71 1HB SER 71 2.572 -11.516 -7.709 548 2HB SER 71 2HB SER 71 3.431 -10.352 -8.716 549 HG SER 71 HG SER 71 5.101 -12.298 -7.884 550 H GLY 72 H GLY 72 2.244 -10.513 -5.052 551 1HA GLY 72 1HA GLY 72 0.979 -8.086 -5.682 552 2HA GLY 72 2HA GLY 72 0.774 -8.979 -4.184 553 H ALA 73 H ALA 73 3.290 -8.865 -3.113 554 HA ALA 73 HA ALA 73 3.316 -6.255 -1.998 555 1HB ALA 73 1HB ALA 73 5.266 -8.536 -1.750 556 2HB ALA 73 2HB ALA 73 3.940 -8.145 -0.655 557 3HB ALA 73 3HB ALA 73 5.323 -7.060 -0.789 558 H ALA 74 H ALA 74 5.186 -7.835 -4.516 559 HA ALA 74 HA ALA 74 7.395 -6.158 -4.638 560 1HB ALA 74 1HB ALA 74 7.253 -8.221 -5.907 561 2HB ALA 74 2HB ALA 74 7.604 -6.865 -6.980 562 3HB ALA 74 3HB ALA 74 5.975 -7.538 -6.911 563 H ARG 75 H ARG 75 4.494 -5.932 -6.706 564 HA ARG 75 HA ARG 75 5.139 -3.459 -7.844 565 1HB ARG 75 1HB ARG 75 2.683 -3.354 -8.401 566 2HB ARG 75 2HB ARG 75 3.515 -4.812 -8.926 567 1HG ARG 75 1HG ARG 75 2.602 -6.042 -7.043 568 2HG ARG 75 2HG ARG 75 1.816 -4.578 -6.450 569 1HD ARG 75 1HD ARG 75 0.386 -6.226 -7.774 570 2HD ARG 75 2HD ARG 75 0.307 -4.526 -8.238 571 HE ARG 75 HE ARG 75 1.902 -6.540 -9.688 572 1HH1 ARG 75 1HH1 ARG 75 -0.144 -3.718 -9.614 573 2HH1 ARG 75 2HH1 ARG 75 -0.135 -3.509 -11.333 574 1HH2 ARG 75 1HH2 ARG 75 1.919 -6.269 -11.952 575 2HH2 ARG 75 2HH2 ARG 75 1.034 -4.960 -12.662 576 H SER 76 H SER 76 3.893 -4.207 -4.734 577 HA SER 76 HA SER 76 2.488 -1.806 -4.229 578 1HB SER 76 1HB SER 76 3.801 -3.703 -2.279 579 2HB SER 76 2HB SER 76 2.631 -2.453 -1.861 580 HG SER 76 HG SER 76 1.862 -4.206 -3.859 581 H LEU 77 H LEU 77 5.880 -2.717 -3.807 582 HA LEU 77 HA LEU 77 6.776 -0.623 -2.249 583 1HB LEU 77 1HB LEU 77 8.022 -2.260 -4.413 584 2HB LEU 77 2HB LEU 77 8.914 -0.910 -3.746 585 HG LEU 77 HG LEU 77 9.490 -3.096 -2.734 586 1HD1 LEU 77 1HD1 LEU 77 8.212 -1.249 -0.738 587 2HD1 LEU 77 2HD1 LEU 77 9.736 -0.900 -1.553 588 3HD1 LEU 77 3HD1 LEU 77 9.603 -2.307 -0.497 589 1HD2 LEU 77 1HD2 LEU 77 7.337 -4.179 -2.793 590 2HD2 LEU 77 2HD2 LEU 77 6.673 -2.981 -1.682 591 3HD2 LEU 77 3HD2 LEU 77 7.919 -4.099 -1.131 592 H GLU 78 H GLU 78 6.984 -0.723 -5.809 593 HA GLU 78 HA GLU 78 7.717 1.918 -6.217 594 1HB GLU 78 1HB GLU 78 6.018 0.199 -8.032 595 2HB GLU 78 2HB GLU 78 6.904 1.638 -8.514 596 1HG GLU 78 1HG GLU 78 9.004 0.549 -8.040 597 2HG GLU 78 2HG GLU 78 8.158 -0.876 -7.437 598 H GLN 79 H GLN 79 4.470 0.537 -5.967 599 HA GLN 79 HA GLN 79 3.029 2.819 -6.732 600 1HB GLN 79 1HB GLN 79 2.297 0.458 -5.013 601 2HB GLN 79 2HB GLN 79 1.145 1.720 -5.430 602 1HG GLN 79 1HG GLN 79 1.305 1.208 -7.748 603 2HG GLN 79 2HG GLN 79 2.660 0.117 -7.468 604 1HE2 GLN 79 1HE2 GLN 79 1.448 -0.999 -5.055 605 2HE2 GLN 79 2HE2 GLN 79 0.193 -2.054 -5.596 606 H ILE 80 H ILE 80 4.155 1.776 -3.534 607 HA ILE 80 HA ILE 80 2.747 3.679 -2.039 608 HB ILE 80 HB ILE 80 5.330 2.247 -1.451 609 1HG1 ILE 80 1HG1 ILE 80 2.526 1.935 -0.352 610 2HG1 ILE 80 2HG1 ILE 80 3.249 0.903 -1.580 611 1HG2 ILE 80 1HG2 ILE 80 5.187 3.024 0.832 612 2HG2 ILE 80 2HG2 ILE 80 3.724 3.936 0.465 613 3HG2 ILE 80 3HG2 ILE 80 5.263 4.414 -0.249 614 1HD1 ILE 80 1HD1 ILE 80 4.359 1.229 1.193 615 2HD1 ILE 80 2HD1 ILE 80 4.834 0.047 -0.026 616 3HD1 ILE 80 3HD1 ILE 80 3.238 -0.047 0.718 617 H GLY 81 H GLY 81 6.209 3.817 -2.998 618 1HA GLY 81 1HA GLY 81 6.148 6.454 -3.895 619 2HA GLY 81 2HA GLY 81 6.499 6.515 -2.174 620 H GLY 82 H GLY 82 8.587 6.813 -1.824 621 1HA GLY 82 1HA GLY 82 10.495 5.139 -3.273 622 2HA GLY 82 2HA GLY 82 10.681 6.875 -3.409 623 H GLU 83 H GLU 83 10.683 8.010 -1.163 624 HA GLU 83 HA GLU 83 12.955 7.005 0.221 625 1HB GLU 83 1HB GLU 83 12.503 9.409 -0.081 626 2HB GLU 83 2HB GLU 83 11.110 9.271 0.984 627 1HG GLU 83 1HG GLU 83 12.656 8.525 2.790 628 2HG GLU 83 2HG GLU 83 14.003 8.883 1.709 629 H ARG 84 H ARG 84 9.532 6.731 0.805 630 HA ARG 84 HA ARG 84 9.911 5.964 3.570 631 1HB ARG 84 1HB ARG 84 7.440 5.572 3.550 632 2HB ARG 84 2HB ARG 84 7.919 7.212 3.148 633 1HG ARG 84 1HG ARG 84 7.427 5.270 0.944 634 2HG ARG 84 2HG ARG 84 6.058 5.985 1.792 635 1HD ARG 84 1HD ARG 84 7.351 8.222 1.349 636 2HD ARG 84 2HD ARG 84 8.119 7.285 0.067 637 HE ARG 84 HE ARG 84 5.395 6.889 -0.195 638 1HH1 ARG 84 1HH1 ARG 84 7.622 9.566 -0.331 639 2HH1 ARG 84 2HH1 ARG 84 6.658 10.478 -1.443 640 1HH2 ARG 84 1HH2 ARG 84 4.119 8.082 -1.658 641 2HH2 ARG 84 2HH2 ARG 84 4.667 9.634 -2.199 642 H VAL 85 H VAL 85 8.838 4.436 0.559 643 HA VAL 85 HA VAL 85 8.673 1.828 1.699 644 HB VAL 85 HB VAL 85 9.132 1.585 -1.091 645 1HG1 VAL 85 1HG1 VAL 85 6.611 1.505 0.558 646 2HG1 VAL 85 2HG1 VAL 85 7.693 0.154 0.222 647 3HG1 VAL 85 3HG1 VAL 85 6.768 0.890 -1.086 648 1HG2 VAL 85 1HG2 VAL 85 7.485 3.077 -2.043 649 2HG2 VAL 85 2HG2 VAL 85 8.719 4.021 -1.207 650 3HG2 VAL 85 3HG2 VAL 85 7.146 3.764 -0.455 651 H ARG 86 H ARG 86 11.179 3.811 0.519 652 HA ARG 86 HA ARG 86 13.120 2.136 -0.433 653 1HB ARG 86 1HB ARG 86 13.010 4.757 0.581 654 2HB ARG 86 2HB ARG 86 14.286 3.957 1.485 655 1HG ARG 86 1HG ARG 86 14.161 3.869 -1.510 656 2HG ARG 86 2HG ARG 86 14.953 5.179 -0.633 657 1HD ARG 86 1HD ARG 86 15.623 2.244 -0.461 658 2HD ARG 86 2HD ARG 86 16.573 3.487 -1.275 659 HE ARG 86 HE ARG 86 16.326 3.078 1.603 660 1HH1 ARG 86 1HH1 ARG 86 17.592 4.958 -1.042 661 2HH1 ARG 86 2HH1 ARG 86 18.782 5.759 -0.072 662 1HH2 ARG 86 1HH2 ARG 86 17.887 4.127 2.888 663 2HH2 ARG 86 2HH2 ARG 86 18.951 5.285 2.161 664 H ALA 87 H ALA 87 11.941 2.428 2.826 665 HA ALA 87 HA ALA 87 14.093 0.947 4.032 666 1HB ALA 87 1HB ALA 87 12.839 2.607 5.315 667 2HB ALA 87 2HB ALA 87 12.728 1.011 6.057 668 3HB ALA 87 3HB ALA 87 11.371 1.649 5.129 669 H ALA 88 H ALA 88 10.850 0.251 2.850 670 HA ALA 88 HA ALA 88 10.591 -2.350 3.857 671 1HB ALA 88 1HB ALA 88 8.678 -1.183 2.997 672 2HB ALA 88 2HB ALA 88 8.914 -2.652 2.050 673 3HB ALA 88 3HB ALA 88 9.400 -1.090 1.392 674 H MET 89 H MET 89 11.835 -1.204 0.708 675 HA MET 89 HA MET 89 12.439 -3.810 -0.237 676 1HB MET 89 1HB MET 89 13.481 -2.792 -2.077 677 2HB MET 89 2HB MET 89 12.197 -1.688 -1.646 678 1HG MET 89 1HG MET 89 13.963 -0.281 -2.051 679 2HG MET 89 2HG MET 89 14.031 -0.461 -0.299 680 1HE MET 89 1HE MET 89 16.569 0.413 -0.237 681 2HE MET 89 2HE MET 89 16.424 0.681 -1.972 682 3HE MET 89 3HE MET 89 17.812 -0.195 -1.329 683 H GLU 90 H GLU 90 14.131 -1.494 1.739 684 HA GLU 90 HA GLU 90 16.715 -2.634 1.546 685 1HB GLU 90 1HB GLU 90 15.352 -0.763 3.431 686 2HB GLU 90 2HB GLU 90 16.854 -1.513 3.955 687 1HG GLU 90 1HG GLU 90 17.976 -0.624 1.964 688 2HG GLU 90 2HG GLU 90 16.471 0.157 1.480 689 H LYS 91 H LYS 91 13.907 -3.296 3.524 690 HA LYS 91 HA LYS 91 15.214 -5.043 5.353 691 1HB LYS 91 1HB LYS 91 13.061 -3.928 5.844 692 2HB LYS 91 2HB LYS 91 12.287 -4.913 4.611 693 1HG LYS 91 1HG LYS 91 11.837 -5.812 6.807 694 2HG LYS 91 2HG LYS 91 12.843 -6.933 5.887 695 1HD LYS 91 1HD LYS 91 13.682 -6.800 8.140 696 2HD LYS 91 2HD LYS 91 14.836 -6.022 7.057 697 1HE LYS 91 1HE LYS 91 13.850 -3.828 7.659 698 2HE LYS 91 2HE LYS 91 12.806 -4.651 8.817 699 1HZ LYS 91 1HZ LYS 91 15.776 -4.673 8.886 700 2HZ LYS 91 2HZ LYS 91 14.747 -5.388 10.022 701 3HZ LYS 91 3HZ LYS 91 14.787 -3.704 9.859 702 H LEU 92 H LEU 92 13.510 -5.539 2.292 703 HA LEU 92 HA LEU 92 13.757 -8.409 2.491 704 1HB LEU 92 1HB LEU 92 11.931 -8.136 1.223 705 2HB LEU 92 2HB LEU 92 12.360 -6.487 0.810 706 HG LEU 92 HG LEU 92 13.995 -7.551 -0.876 707 1HD1 LEU 92 1HD1 LEU 92 13.764 -9.844 0.074 708 2HD1 LEU 92 2HD1 LEU 92 13.452 -9.749 -1.658 709 3HD1 LEU 92 3HD1 LEU 92 12.107 -9.874 -0.527 710 1HD2 LEU 92 1HD2 LEU 92 12.316 -7.539 -2.562 711 2HD2 LEU 92 2HD2 LEU 92 11.854 -6.336 -1.360 712 3HD2 LEU 92 3HD2 LEU 92 11.050 -7.904 -1.391 713 H ALA 93 H ALA 93 15.541 -5.742 1.272 714 HA ALA 93 HA ALA 93 17.130 -7.008 -0.677 715 1HB ALA 93 1HB ALA 93 18.748 -5.147 -0.181 716 2HB ALA 93 2HB ALA 93 17.652 -4.632 1.101 717 3HB ALA 93 3HB ALA 93 17.111 -4.625 -0.579 718 H GLU 94 H GLU 94 17.177 -7.011 2.775 719 HA GLU 94 HA GLU 94 19.859 -8.026 3.028 720 1HB GLU 94 1HB GLU 94 18.838 -6.632 4.781 721 2HB GLU 94 2HB GLU 94 17.606 -7.857 5.039 722 1HG GLU 94 1HG GLU 94 19.374 -7.894 6.730 723 2HG GLU 94 2HG GLU 94 19.246 -9.412 5.844 724 H THR 95 H THR 95 16.654 -9.265 2.676 725 HA THR 95 HA THR 95 17.652 -12.019 3.028 726 HB THR 95 HB THR 95 15.354 -12.718 3.403 727 HG1 THR 95 HG1 THR 95 14.270 -10.201 3.610 728 1HG2 THR 95 1HG2 THR 95 16.664 -11.867 5.335 729 2HG2 THR 95 2HG2 THR 95 14.924 -11.662 5.533 730 3HG2 THR 95 3HG2 THR 95 15.930 -10.282 5.092 731 H GLY 96 H GLY 96 17.813 -10.128 0.731 732 1HA GLY 96 1HA GLY 96 16.022 -10.697 -1.309 733 2HA GLY 96 2HA GLY 96 17.690 -10.209 -1.547 734 H THR 97 H THR 97 15.469 -12.545 -2.155 735 HA THR 97 HA THR 97 17.534 -14.370 -3.094 736 HB THR 97 HB THR 97 17.059 -15.339 -0.941 737 HG1 THR 97 HG1 THR 97 16.466 -17.365 -1.656 738 1HG2 THR 97 1HG2 THR 97 14.147 -15.273 -1.744 739 2HG2 THR 97 2HG2 THR 97 14.904 -14.277 -0.501 740 3HG2 THR 97 3HG2 THR 97 14.794 -16.024 -0.286 741 H GLY 98 H GLY 98 17.057 -15.142 -5.063 742 1HA GLY 98 1HA GLY 98 15.896 -15.570 -6.997 743 2HA GLY 98 2HA GLY 98 14.505 -15.881 -5.969 744 H PHE 99 H PHE 99 12.957 -14.895 -7.176 745 HA PHE 99 HA PHE 99 13.206 -12.420 -8.486 746 1HB PHE 99 1HB PHE 99 11.463 -13.912 -9.154 747 2HB PHE 99 2HB PHE 99 10.799 -13.972 -7.526 748 HD1 PHE 99 HD1 PHE 99 9.150 -12.463 -6.846 749 HD2 PHE 99 HD2 PHE 99 11.311 -11.740 -10.441 750 HE1 PHE 99 HE1 PHE 99 7.591 -10.647 -7.411 751 HE2 PHE 99 HE2 PHE 99 9.755 -9.920 -11.012 752 HZ PHE 99 HZ PHE 99 7.893 -9.373 -9.497 753 H ALA 100 H ALA 100 12.423 -13.255 -5.202 754 HA ALA 100 HA ALA 100 11.137 -10.947 -4.334 755 1HB ALA 100 1HB ALA 100 11.985 -11.547 -2.087 756 2HB ALA 100 2HB ALA 100 13.018 -12.765 -2.837 757 3HB ALA 100 3HB ALA 100 11.264 -12.907 -2.947 758 H ARG 101 H ARG 101 14.579 -11.594 -4.753 759 HA ARG 101 HA ARG 101 15.482 -9.210 -3.487 760 1HB ARG 101 1HB ARG 101 16.953 -11.116 -3.716 761 2HB ARG 101 2HB ARG 101 16.812 -11.043 -5.466 762 1HG ARG 101 1HG ARG 101 18.297 -9.358 -5.659 763 2HG ARG 101 2HG ARG 101 17.792 -8.597 -4.149 764 1HD ARG 101 1HD ARG 101 20.088 -9.478 -4.040 765 2HD ARG 101 2HD ARG 101 19.013 -10.241 -2.869 766 HE ARG 101 HE ARG 101 19.084 -11.777 -5.229 767 1HH1 ARG 101 1HH1 ARG 101 21.072 -10.917 -2.502 768 2HH1 ARG 101 2HH1 ARG 101 21.987 -12.387 -2.540 769 1HH2 ARG 101 1HH2 ARG 101 20.285 -13.716 -5.290 770 2HH2 ARG 101 2HH2 ARG 101 21.541 -13.978 -4.127 771 H LYS 102 H LYS 102 15.315 -10.137 -6.928 772 HA LYS 102 HA LYS 102 16.160 -7.815 -8.104 773 1HB LYS 102 1HB LYS 102 15.651 -9.830 -9.372 774 2HB LYS 102 2HB LYS 102 13.939 -9.654 -9.015 775 1HG LYS 102 1HG LYS 102 14.012 -7.466 -10.238 776 2HG LYS 102 2HG LYS 102 15.645 -7.895 -10.751 777 1HD LYS 102 1HD LYS 102 14.831 -9.861 -11.878 778 2HD LYS 102 2HD LYS 102 13.200 -9.586 -11.257 779 1HE LYS 102 1HE LYS 102 13.365 -8.863 -13.570 780 2HE LYS 102 2HE LYS 102 13.087 -7.485 -12.507 781 1HZ LYS 102 1HZ LYS 102 15.431 -6.953 -12.621 782 2HZ LYS 102 2HZ LYS 102 14.779 -7.017 -14.179 783 3HZ LYS 102 3HZ LYS 102 15.725 -8.296 -13.606 784 H VAL 103 H VAL 103 13.250 -8.365 -6.369 785 HA VAL 103 HA VAL 103 11.667 -6.272 -7.430 786 HB VAL 103 HB VAL 103 11.605 -7.855 -4.879 787 1HG1 VAL 103 1HG1 VAL 103 10.772 -5.738 -4.171 788 2HG1 VAL 103 2HG1 VAL 103 9.367 -6.766 -4.456 789 3HG1 VAL 103 3HG1 VAL 103 9.821 -5.545 -5.643 790 1HG2 VAL 103 1HG2 VAL 103 9.488 -8.682 -5.840 791 2HG2 VAL 103 2HG2 VAL 103 10.876 -8.993 -6.882 792 3HG2 VAL 103 3HG2 VAL 103 9.765 -7.679 -7.263 793 H ALA 104 H ALA 104 13.368 -6.472 -4.299 794 HA ALA 104 HA ALA 104 12.982 -3.834 -3.504 795 1HB ALA 104 1HB ALA 104 14.834 -4.219 -1.950 796 2HB ALA 104 2HB ALA 104 15.258 -5.689 -2.827 797 3HB ALA 104 3HB ALA 104 13.712 -5.578 -1.987 798 H VAL 105 H VAL 105 15.886 -5.246 -4.945 799 HA VAL 105 HA VAL 105 17.434 -2.952 -5.101 800 HB VAL 105 HB VAL 105 17.544 -5.239 -7.061 801 1HG1 VAL 105 1HG1 VAL 105 19.958 -4.698 -7.090 802 2HG1 VAL 105 2HG1 VAL 105 19.627 -3.297 -6.071 803 3HG1 VAL 105 3HG1 VAL 105 18.947 -3.385 -7.695 804 1HG2 VAL 105 1HG2 VAL 105 17.467 -6.058 -4.738 805 2HG2 VAL 105 2HG2 VAL 105 18.857 -5.043 -4.352 806 3HG2 VAL 105 3HG2 VAL 105 19.024 -6.364 -5.509 807 H ASN 106 H ASN 106 15.746 -4.448 -7.886 808 HA ASN 106 HA ASN 106 16.260 -2.359 -9.652 809 1HB ASN 106 1HB ASN 106 14.060 -4.415 -9.613 810 2HB ASN 106 2HB ASN 106 14.258 -3.260 -10.929 811 1HD2 ASN 106 1HD2 ASN 106 15.987 -3.454 -12.319 812 2HD2 ASN 106 2HD2 ASN 106 16.985 -4.862 -12.377 813 H TYR 107 H TYR 107 13.823 -2.585 -7.162 814 HA TYR 107 HA TYR 107 12.007 -0.697 -8.161 815 1HB TYR 107 1HB TYR 107 11.139 -1.842 -6.364 816 2HB TYR 107 2HB TYR 107 12.651 -1.797 -5.466 817 HD1 TYR 107 HD1 TYR 107 12.700 -0.506 -3.610 818 HD2 TYR 107 HD2 TYR 107 10.088 0.618 -6.745 819 HE1 TYR 107 HE1 TYR 107 11.890 1.364 -2.239 820 HE2 TYR 107 HE2 TYR 107 9.257 2.496 -5.395 821 HH TYR 107 HH TYR 107 9.122 3.204 -3.122 822 H LEU 108 H LEU 108 15.083 -0.376 -6.562 823 HA LEU 108 HA LEU 108 15.029 2.239 -5.678 824 1HB LEU 108 1HB LEU 108 17.181 0.463 -6.733 825 2HB LEU 108 2HB LEU 108 17.545 2.150 -6.448 826 HG LEU 108 HG LEU 108 16.403 0.351 -4.320 827 1HD1 LEU 108 1HD1 LEU 108 18.509 -0.601 -4.990 828 2HD1 LEU 108 2HD1 LEU 108 18.717 0.230 -3.449 829 3HD1 LEU 108 3HD1 LEU 108 19.284 0.982 -4.939 830 1HD2 LEU 108 1HD2 LEU 108 17.784 3.031 -4.246 831 2HD2 LEU 108 2HD2 LEU 108 17.335 2.087 -2.827 832 3HD2 LEU 108 3HD2 LEU 108 16.084 2.708 -3.904 833 H GLU 109 H GLU 109 15.051 1.038 -8.908 834 HA GLU 109 HA GLU 109 16.124 3.213 -10.297 835 1HB GLU 109 1HB GLU 109 13.975 1.255 -11.116 836 2HB GLU 109 2HB GLU 109 14.737 2.393 -12.218 837 1HG GLU 109 1HG GLU 109 16.146 0.218 -10.685 838 2HG GLU 109 2HG GLU 109 15.712 0.166 -12.393 839 H THR 110 H THR 110 13.395 3.149 -8.370 840 HA THR 110 HA THR 110 11.958 5.210 -9.854 841 HB THR 110 HB THR 110 10.222 5.010 -8.148 842 HG1 THR 110 HG1 THR 110 10.812 4.341 -6.239 843 1HG2 THR 110 1HG2 THR 110 10.208 3.399 -10.003 844 2HG2 THR 110 2HG2 THR 110 9.563 2.686 -8.525 845 3HG2 THR 110 3HG2 THR 110 11.201 2.296 -9.050 846 H HIS 111 H HIS 111 13.299 4.753 -6.578 847 HA HIS 111 HA HIS 111 14.109 7.557 -6.561 848 1HB HIS 111 1HB HIS 111 12.249 6.322 -4.529 849 2HB HIS 111 2HB HIS 111 13.157 7.797 -4.221 850 HD1 HIS 111 HD1 HIS 111 10.113 6.530 -5.836 851 HD2 HIS 111 HD2 HIS 111 12.388 10.006 -5.911 852 HE1 HIS 111 HE1 HIS 111 8.649 8.268 -6.913 853 HE2 HIS 111 HE2 HIS 111 10.077 10.340 -7.025
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