REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3keg_1_B DATA FIRST_RESID 2 DATA SEQUENCE SRILAVHASP RGERSQSRRL AEVFLAAYRE AHPQARVARR EVGRVPLPAV DATA SEQUENCE TEAFVAAAFH PQPEQRSLAM QADLALSDQL VGELFDSDLL VISTPMYNFS DATA SEQUENCE VPSGLKAWID QIVRLGVTFD FVLDNGVAQF RPLLRGKRAL IVTSRGGHGF DATA SEQUENCE GPGGENQAMN HADPWLRTAL GFIGIDEVTV VAAEGEEXXX XSFEDSCDEA DATA SEQUENCE EQRLLALARS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 4.494 4.470 0.039 0.000 0.327 2 S C 0.000 174.615 174.600 0.025 0.000 1.055 2 S CA 0.000 58.231 58.200 0.052 0.000 1.107 2 S CB 0.000 63.224 63.200 0.039 0.000 0.593 3 R N 6.535 127.044 120.500 0.015 0.000 2.389 3 R HA 0.067 4.672 4.340 0.017 -0.254 0.295 3 R C -1.172 175.104 176.300 -0.041 0.000 1.075 3 R CA -0.721 55.382 56.100 0.005 0.000 1.005 3 R CB 1.035 31.349 30.300 0.024 0.000 0.987 3 R HN -0.004 8.565 8.270 0.023 -0.285 0.452 4 I N 4.877 125.409 120.570 -0.063 0.000 2.441 4 I HA 0.510 4.817 4.170 -0.104 -0.199 0.295 4 I C -1.980 174.101 176.117 -0.059 0.000 0.994 4 I CA -1.095 60.147 61.300 -0.097 0.000 1.144 4 I CB 3.126 41.028 38.000 -0.163 0.000 1.314 4 I HN 0.492 8.676 8.210 -0.044 0.000 0.445 5 L N 7.609 128.793 121.223 -0.066 0.000 2.298 5 L HA 0.686 5.157 4.340 -0.057 -0.165 0.284 5 L C -2.595 174.187 176.870 -0.146 0.000 1.013 5 L CA -1.829 52.970 54.840 -0.069 0.000 0.824 5 L CB 3.233 45.282 42.059 -0.018 0.000 1.221 5 L HN 0.116 8.304 8.230 -0.071 0.000 0.418 6 A N 7.697 130.401 122.820 -0.193 0.000 2.253 6 A HA 0.767 5.081 4.320 -0.338 -0.197 0.316 6 A C -1.730 175.558 177.584 -0.494 0.000 1.327 6 A CA -2.250 49.581 52.037 -0.344 0.000 0.917 6 A CB 1.388 20.192 19.000 -0.328 0.000 1.162 6 A HN 1.050 9.106 8.150 -0.156 0.000 0.535 7 V N 7.034 126.609 119.914 -0.565 0.000 2.333 7 V HA 0.414 4.411 4.120 -0.556 -0.211 0.274 7 V C -0.832 174.932 176.094 -0.549 0.000 1.028 7 V CA -1.529 60.394 62.300 -0.629 0.000 0.851 7 V CB 1.030 32.288 31.823 -0.941 0.000 1.000 7 V HN 0.408 8.288 8.190 -0.517 0.000 0.456 8 H N 8.321 127.245 119.070 -0.243 0.000 2.517 8 H HA 0.574 5.026 4.556 -0.173 0.000 0.317 8 H C -0.758 174.462 175.328 -0.180 0.000 1.080 8 H CA -1.053 54.889 56.048 -0.178 0.000 1.301 8 H CB 1.745 31.436 29.762 -0.119 0.000 1.425 8 H HN -0.313 7.799 8.280 -0.280 0.000 0.471 9 A N 4.810 127.598 122.820 -0.052 0.000 2.324 9 A HA 0.252 4.512 4.320 -0.100 0.000 0.220 9 A C -1.146 176.359 177.584 -0.133 0.000 1.209 9 A CA -0.806 51.167 52.037 -0.107 0.000 0.918 9 A CB 1.527 20.446 19.000 -0.134 0.000 0.959 9 A HN 0.215 8.343 8.150 -0.037 0.000 0.507 10 S N -0.776 114.855 115.700 -0.115 0.000 2.549 10 S HA 0.027 4.363 4.470 -0.224 0.000 0.279 10 S C -1.271 173.289 174.600 -0.067 0.000 1.321 10 S CA -2.966 55.153 58.200 -0.134 0.000 1.054 10 S CB 0.690 63.833 63.200 -0.095 0.000 0.899 10 S HN -0.334 7.929 8.310 -0.079 0.000 0.497 11 P HA -0.009 4.476 4.420 0.005 -0.061 0.225 11 P C -0.411 176.895 177.300 0.010 0.000 1.156 11 P CA 0.456 63.566 63.100 0.016 0.000 0.787 11 P CB 0.304 32.051 31.700 0.079 0.000 0.802 12 R N -1.349 119.156 120.500 0.008 0.000 2.531 12 R HA 0.072 4.415 4.340 0.004 0.000 0.273 12 R C 0.797 177.081 176.300 -0.028 0.000 1.070 12 R CA -0.062 56.038 56.100 -0.000 0.000 1.112 12 R CB 1.028 31.335 30.300 0.012 0.000 1.049 12 R HN -0.644 7.592 8.270 0.009 0.040 0.508 13 G N 2.230 111.013 108.800 -0.028 0.000 2.606 13 G HA2 -0.041 3.880 3.960 -0.065 0.000 0.213 13 G HA3 -0.041 3.897 3.960 -0.037 0.000 0.213 13 G C 1.386 176.258 174.900 -0.046 0.000 2.020 13 G CA 0.737 45.810 45.100 -0.046 0.000 0.814 13 G HN 0.491 8.770 8.290 -0.018 0.000 0.685 14 E N -0.443 119.738 120.200 -0.030 0.000 2.209 14 E HA -0.231 4.101 4.350 -0.030 0.000 0.196 14 E C 1.449 178.042 176.600 -0.012 0.000 0.993 14 E CA 1.821 58.207 56.400 -0.023 0.000 0.819 14 E CB -0.406 29.286 29.700 -0.013 0.000 0.745 14 E HN 0.262 8.607 8.360 -0.025 0.000 0.477 15 R N -3.610 116.886 120.500 -0.007 0.000 2.297 15 R HA 0.011 4.359 4.340 0.014 0.000 0.197 15 R C -0.313 175.994 176.300 0.013 0.000 0.943 15 R CA -0.299 55.805 56.100 0.007 0.000 1.038 15 R CB 0.241 30.545 30.300 0.006 0.000 0.957 15 R HN -0.335 7.897 8.270 -0.010 0.031 0.484 16 S N 0.113 115.810 115.700 -0.006 0.000 2.498 16 S HA -0.131 4.344 4.470 0.007 0.000 0.281 16 S C 0.894 175.498 174.600 0.006 0.000 1.265 16 S CA 0.334 58.530 58.200 -0.007 0.000 1.071 16 S CB 0.519 63.693 63.200 -0.043 0.000 0.894 16 S HN -0.643 7.507 8.310 -0.019 0.149 0.491 17 Q N 8.685 128.509 119.800 0.041 0.000 2.137 17 Q HA -0.207 4.167 4.340 0.056 0.000 0.198 17 Q C 1.784 177.800 176.000 0.027 0.000 0.960 17 Q CA 3.039 58.879 55.803 0.062 0.000 0.847 17 Q CB -0.308 28.519 28.738 0.149 0.000 0.915 17 Q HN 0.656 8.957 8.270 0.051 0.000 0.448 18 S N 0.186 115.893 115.700 0.012 0.000 2.383 18 S HA -0.286 4.186 4.470 0.004 0.000 0.227 18 S C 1.726 176.329 174.600 0.004 0.000 1.026 18 S CA 3.369 61.569 58.200 -0.000 0.000 0.981 18 S CB -1.022 62.165 63.200 -0.021 0.000 0.818 18 S HN -0.115 8.201 8.310 0.010 0.000 0.472 19 R N 2.577 123.057 120.500 -0.032 0.000 2.073 19 R HA -0.294 3.990 4.340 -0.093 0.000 0.234 19 R C 1.708 177.960 176.300 -0.079 0.000 1.134 19 R CA 3.155 59.185 56.100 -0.116 0.000 0.952 19 R CB -0.029 30.133 30.300 -0.229 0.000 0.850 19 R HN -0.378 7.867 8.270 -0.042 0.000 0.433 20 R N -0.817 119.656 120.500 -0.045 0.000 2.091 20 R HA -0.283 4.041 4.340 -0.028 0.000 0.238 20 R C 2.566 178.876 176.300 0.017 0.000 1.136 20 R CA 3.250 59.341 56.100 -0.016 0.000 0.959 20 R CB -0.249 30.049 30.300 -0.004 0.000 0.856 20 R HN -0.635 7.613 8.270 -0.038 0.000 0.437 21 L N -2.518 118.718 121.223 0.023 0.000 2.093 21 L HA -0.301 4.062 4.340 0.039 0.000 0.208 21 L C 1.858 178.777 176.870 0.082 0.000 1.085 21 L CA 2.737 57.600 54.840 0.039 0.000 0.755 21 L CB -0.269 41.800 42.059 0.017 0.000 0.904 21 L HN -0.220 8.019 8.230 0.014 0.000 0.435 22 A N -1.405 121.466 122.820 0.086 0.000 1.930 22 A HA -0.321 4.063 4.320 0.106 0.000 0.217 22 A C 2.309 180.020 177.584 0.212 0.000 1.175 22 A CA 3.252 55.372 52.037 0.138 0.000 0.627 22 A CB -0.904 18.197 19.000 0.169 0.000 0.815 22 A HN -0.415 7.776 8.150 0.068 0.000 0.443 23 E N -1.679 118.613 120.200 0.153 0.000 2.208 23 E HA -0.238 4.208 4.350 0.160 0.000 0.193 23 E C 2.561 179.228 176.600 0.113 0.000 0.988 23 E CA 2.314 58.790 56.400 0.126 0.000 0.828 23 E CB -0.407 29.321 29.700 0.047 0.000 0.763 23 E HN -0.438 7.985 8.360 0.105 0.000 0.478 24 V N 0.324 120.302 119.914 0.107 0.000 2.295 24 V HA -0.494 3.664 4.120 0.063 0.000 0.246 24 V C 1.452 177.622 176.094 0.127 0.000 1.049 24 V CA 4.266 66.622 62.300 0.093 0.000 1.024 24 V CB -0.148 31.723 31.823 0.080 0.000 0.648 24 V HN -0.374 7.788 8.190 0.099 0.087 0.447 25 F N 0.540 120.515 119.950 0.041 0.000 2.134 25 F HA -0.313 4.253 4.527 0.064 0.000 0.299 25 F C 1.123 176.973 175.800 0.084 0.000 1.097 25 F CA 3.601 61.634 58.000 0.055 0.000 1.264 25 F CB 0.317 39.334 39.000 0.029 0.000 1.001 25 F HN -0.799 7.693 8.300 0.319 0.000 0.479 26 L N -1.987 119.350 121.223 0.190 0.000 2.056 26 L HA -0.481 3.895 4.340 0.061 0.000 0.207 26 L C 1.964 178.858 176.870 0.041 0.000 1.078 26 L CA 2.965 57.867 54.840 0.104 0.000 0.749 26 L CB -0.562 41.593 42.059 0.161 0.000 0.901 26 L HN -0.288 8.028 8.230 0.280 0.082 0.433 27 A N -1.336 121.509 122.820 0.041 0.000 1.877 27 A HA -0.361 3.981 4.320 0.038 0.000 0.216 27 A C 1.776 179.358 177.584 -0.004 0.000 1.186 27 A CA 3.076 55.129 52.037 0.027 0.000 0.620 27 A CB -1.034 17.981 19.000 0.025 0.000 0.822 27 A HN -0.080 8.105 8.150 0.058 0.000 0.443 28 A N -1.181 121.615 122.820 -0.041 0.000 1.908 28 A HA -0.361 3.928 4.320 -0.051 0.000 0.218 28 A C 1.559 179.092 177.584 -0.085 0.000 1.181 28 A CA 2.766 54.761 52.037 -0.071 0.000 0.627 28 A CB -0.668 18.278 19.000 -0.090 0.000 0.818 28 A HN -0.550 7.576 8.150 -0.040 0.000 0.445 29 Y N -0.343 119.793 120.300 -0.273 0.000 2.145 29 Y HA -0.390 4.090 4.550 -0.116 0.000 0.286 29 Y C 2.006 177.915 175.900 0.014 0.000 1.145 29 Y CA 3.516 61.499 58.100 -0.195 0.000 1.148 29 Y CB 0.305 38.509 38.460 -0.428 0.000 0.981 29 Y HN -0.531 7.659 8.280 -0.151 0.000 0.507 30 R N -1.498 119.096 120.500 0.157 0.000 2.117 30 R HA -0.429 4.018 4.340 0.178 0.000 0.243 30 R C 2.218 178.522 176.300 0.007 0.000 1.143 30 R CA 3.317 59.485 56.100 0.114 0.000 0.968 30 R CB -0.510 29.842 30.300 0.086 0.000 0.863 30 R HN -0.281 8.079 8.270 0.150 0.000 0.444 31 E N -1.455 118.724 120.200 -0.034 0.000 2.077 31 E HA -0.239 4.078 4.350 -0.055 0.000 0.193 31 E C 1.653 178.163 176.600 -0.150 0.000 0.989 31 E CA 2.533 58.889 56.400 -0.073 0.000 0.800 31 E CB -0.124 29.535 29.700 -0.068 0.000 0.746 31 E HN -0.474 7.766 8.360 -0.025 0.105 0.452 32 A N -3.094 119.584 122.820 -0.237 0.000 2.123 32 A HA -0.039 4.040 4.320 -0.402 0.000 0.214 32 A C -0.015 177.058 177.584 -0.851 0.000 1.152 32 A CA 1.468 53.200 52.037 -0.509 0.000 0.728 32 A CB 0.584 19.241 19.000 -0.571 0.000 0.814 32 A HN -0.524 7.509 8.150 -0.195 0.000 0.464 33 H N -3.713 115.188 119.070 -0.281 0.000 2.538 33 H HA 0.319 4.776 4.556 -0.165 0.000 0.239 33 H C -2.325 172.951 175.328 -0.086 0.000 1.401 33 H CA -2.756 53.163 56.048 -0.216 0.000 1.499 33 H CB -0.638 28.904 29.762 -0.366 0.000 1.624 33 H HN -0.521 7.493 8.280 -0.176 0.160 0.524 34 P HA -0.093 4.426 4.420 0.025 -0.084 0.220 34 P C 0.114 177.441 177.300 0.046 0.000 1.148 34 P CA 1.218 64.329 63.100 0.019 0.000 0.803 34 P CB 0.547 32.240 31.700 -0.011 0.000 0.782 35 Q N -3.951 115.881 119.800 0.054 0.000 2.435 35 Q HA -0.071 4.296 4.340 0.045 0.000 0.207 35 Q C -0.474 175.575 176.000 0.081 0.000 0.956 35 Q CA -0.116 55.721 55.803 0.057 0.000 0.917 35 Q CB 0.068 28.836 28.738 0.049 0.000 0.997 35 Q HN -0.176 8.102 8.270 0.050 0.022 0.497 36 A N 0.406 123.300 122.820 0.123 0.000 2.425 36 A HA -0.085 4.312 4.320 0.129 0.000 0.249 36 A C -1.557 176.097 177.584 0.117 0.000 1.084 36 A CA 0.394 52.523 52.037 0.153 0.000 0.781 36 A CB 0.592 19.765 19.000 0.288 0.000 1.019 36 A HN -0.517 7.659 8.150 0.137 0.056 0.490 37 R N 1.796 122.347 120.500 0.086 0.000 2.308 37 R HA 0.043 4.419 4.340 0.059 0.000 0.305 37 R C -1.506 174.820 176.300 0.044 0.000 1.053 37 R CA -0.292 55.843 56.100 0.059 0.000 0.957 37 R CB 1.236 31.563 30.300 0.045 0.000 1.022 37 R HN 0.405 8.724 8.270 0.081 0.000 0.461 38 V N 4.290 124.228 119.914 0.040 0.000 2.378 38 V HA 0.343 4.609 4.120 -0.000 -0.147 0.288 38 V C -1.195 174.909 176.094 0.017 0.000 1.016 38 V CA -0.987 61.324 62.300 0.020 0.000 0.840 38 V CB 1.952 33.794 31.823 0.033 0.000 0.994 38 V HN 0.413 8.630 8.190 0.046 0.000 0.431 39 A N 8.801 131.622 122.820 0.002 0.000 2.317 39 A HA 0.478 4.807 4.320 0.014 0.000 0.327 39 A C -2.059 175.512 177.584 -0.022 0.000 1.178 39 A CA -1.521 50.518 52.037 0.004 0.000 0.817 39 A CB 2.742 21.751 19.000 0.015 0.000 1.189 39 A HN 0.778 8.923 8.150 -0.009 0.000 0.489 40 R N 1.582 122.075 120.500 -0.011 0.000 2.562 40 R HA 0.769 5.232 4.340 -0.095 -0.180 0.298 40 R C -0.509 175.771 176.300 -0.033 0.000 0.961 40 R CA -0.866 55.213 56.100 -0.035 0.000 0.881 40 R CB 2.801 33.120 30.300 0.031 0.000 1.159 40 R HN 0.310 8.584 8.270 0.007 0.000 0.450 41 R N 4.348 124.790 120.500 -0.096 0.000 2.435 41 R HA 0.293 4.619 4.340 -0.023 0.000 0.308 41 R C -1.709 174.523 176.300 -0.114 0.000 0.975 41 R CA -1.968 54.083 56.100 -0.082 0.000 0.867 41 R CB 2.160 32.403 30.300 -0.096 0.000 1.171 41 R HN 0.625 8.792 8.270 -0.171 0.000 0.470 42 E N 7.229 127.410 120.200 -0.032 0.000 2.223 42 E HA -0.036 4.311 4.350 -0.004 0.000 0.282 42 E C -0.217 176.364 176.600 -0.031 0.000 1.046 42 E CA -0.363 56.029 56.400 -0.013 0.000 0.857 42 E CB -0.104 29.607 29.700 0.019 0.000 1.055 42 E HN 0.457 8.815 8.360 -0.005 0.000 0.409 43 V N 2.071 121.947 119.914 -0.063 0.000 3.330 43 V HA 0.643 4.763 4.120 -0.000 0.000 0.309 43 V C -1.341 174.738 176.094 -0.025 0.000 1.481 43 V CA -1.134 61.143 62.300 -0.039 0.000 1.068 43 V CB 1.557 33.330 31.823 -0.083 0.000 0.935 43 V HN 0.165 8.309 8.190 -0.076 0.000 0.453 44 G N 1.040 109.824 108.800 -0.026 0.000 2.763 44 G HA2 0.171 4.153 3.960 -0.031 0.000 0.205 44 G HA3 0.171 4.196 3.960 -0.039 -0.088 0.205 44 G C 0.499 175.396 174.900 -0.005 0.000 1.137 44 G CA 0.630 45.714 45.100 -0.026 0.000 0.839 44 G HN -0.411 8.093 8.290 -0.021 -0.227 0.596 45 R N -1.297 119.202 120.500 -0.003 0.000 2.297 45 R HA -0.012 4.331 4.340 0.005 0.000 0.197 45 R C -0.707 175.599 176.300 0.010 0.000 0.943 45 R CA 0.810 56.912 56.100 0.003 0.000 1.038 45 R CB 0.520 30.818 30.300 -0.004 0.000 0.957 45 R HN -0.298 8.294 8.270 -0.004 -0.325 0.484 46 V N 0.443 120.365 119.914 0.013 0.000 2.656 46 V HA 0.361 4.493 4.120 0.019 0.000 0.307 46 V C -2.592 173.517 176.094 0.025 0.000 1.051 46 V CA -3.976 58.335 62.300 0.019 0.000 0.893 46 V CB 3.256 35.093 31.823 0.022 0.000 0.999 46 V HN -0.706 7.429 8.190 0.010 0.061 0.426 47 P HA 0.128 4.565 4.420 0.029 0.000 0.275 47 P C -1.730 175.594 177.300 0.039 0.000 1.228 47 P CA -0.244 62.874 63.100 0.030 0.000 0.786 47 P CB 0.477 32.192 31.700 0.025 0.000 0.927 48 L N 2.517 123.766 121.223 0.044 0.000 2.372 48 L HA 0.341 4.718 4.340 0.061 0.000 0.274 48 L C -1.537 175.354 176.870 0.035 0.000 0.988 48 L CA -3.453 51.421 54.840 0.058 0.000 0.833 48 L CB 1.086 43.201 42.059 0.094 0.000 1.236 48 L HN -0.126 8.128 8.230 0.040 0.000 0.410 49 P HA -0.031 4.395 4.420 0.009 0.000 0.263 49 P C -1.653 175.629 177.300 -0.029 0.000 1.175 49 P CA -0.194 62.910 63.100 0.006 0.000 0.761 49 P CB 0.598 32.308 31.700 0.017 0.000 0.794 50 A N 3.105 125.903 122.820 -0.036 0.000 2.332 50 A HA 0.012 4.284 4.320 -0.081 0.000 0.258 50 A C 0.009 177.517 177.584 -0.127 0.000 1.087 50 A CA -0.528 51.466 52.037 -0.071 0.000 0.802 50 A CB 1.342 20.316 19.000 -0.044 0.000 1.042 50 A HN 0.014 8.152 8.150 -0.020 0.000 0.489 51 V N 1.256 121.044 119.914 -0.210 0.000 2.540 51 V HA -0.159 3.672 4.120 -0.481 0.000 0.297 51 V C 0.584 176.641 176.094 -0.061 0.000 1.024 51 V CA 0.765 62.886 62.300 -0.298 0.000 1.105 51 V CB 0.145 31.764 31.823 -0.341 0.000 0.938 51 V HN 0.263 8.333 8.190 -0.199 0.000 0.482 52 T N 5.055 119.639 114.554 0.050 0.000 2.910 52 T HA 0.254 4.640 4.350 0.059 0.000 0.279 52 T C 0.414 175.211 174.700 0.161 0.000 0.989 52 T CA -2.291 59.868 62.100 0.099 0.000 0.968 52 T CB 2.244 71.176 68.868 0.106 0.000 1.135 52 T HN -0.398 7.897 8.240 0.092 0.000 0.562 53 E N 0.286 120.556 120.200 0.117 0.000 2.150 53 E HA -0.272 4.152 4.350 0.123 0.000 0.193 53 E C 1.906 178.593 176.600 0.145 0.000 0.985 53 E CA 3.008 59.478 56.400 0.117 0.000 0.814 53 E CB -0.454 29.289 29.700 0.072 0.000 0.752 53 E HN 0.579 8.993 8.360 0.089 0.000 0.466 54 A N -1.152 121.753 122.820 0.141 0.000 1.902 54 A HA -0.233 4.152 4.320 0.109 0.000 0.217 54 A C 1.670 179.357 177.584 0.172 0.000 1.181 54 A CA 2.737 54.854 52.037 0.134 0.000 0.623 54 A CB -1.016 18.052 19.000 0.112 0.000 0.818 54 A HN 0.095 8.322 8.150 0.128 0.000 0.443 55 F N -0.315 119.684 119.950 0.082 0.000 2.095 55 F HA -0.435 4.141 4.527 0.082 0.000 0.298 55 F C 1.468 177.363 175.800 0.158 0.000 1.104 55 F CA 3.790 61.848 58.000 0.097 0.000 1.232 55 F CB 0.329 39.380 39.000 0.085 0.000 0.987 55 F HN -0.684 7.829 8.300 0.355 0.000 0.475 56 V N -0.990 119.176 119.914 0.420 0.000 2.343 56 V HA -0.674 3.816 4.120 0.617 0.000 0.247 56 V C 1.679 177.954 176.094 0.301 0.000 1.051 56 V CA 4.302 66.851 62.300 0.416 0.000 1.036 56 V CB -0.359 31.626 31.823 0.270 0.000 0.654 56 V HN -0.550 7.897 8.190 0.429 0.000 0.451 57 A N -1.687 121.240 122.820 0.178 0.000 1.933 57 A HA -0.347 4.057 4.320 0.139 0.000 0.218 57 A C 0.799 178.470 177.584 0.145 0.000 1.175 57 A CA 2.982 55.103 52.037 0.141 0.000 0.628 57 A CB -0.637 18.426 19.000 0.104 0.000 0.814 57 A HN -0.280 7.968 8.150 0.165 0.000 0.444 58 A N -3.552 119.305 122.820 0.063 0.000 1.878 58 A HA -0.219 4.146 4.320 0.075 0.000 0.213 58 A C 1.662 179.190 177.584 -0.093 0.000 1.192 58 A CA 2.024 54.057 52.037 -0.007 0.000 0.619 58 A CB 0.255 19.198 19.000 -0.094 0.000 0.837 58 A HN -0.634 7.522 8.150 0.034 0.015 0.446 59 A N -2.759 119.899 122.820 -0.271 0.000 2.067 59 A HA -0.215 3.828 4.320 -0.462 0.000 0.219 59 A C 0.487 177.796 177.584 -0.459 0.000 1.158 59 A CA 2.405 54.151 52.037 -0.485 0.000 0.661 59 A CB 0.172 18.674 19.000 -0.829 0.000 0.801 59 A HN -0.055 7.912 8.150 -0.304 0.000 0.452 60 F N -7.064 112.885 119.950 -0.002 0.000 2.698 60 F HA 0.141 4.712 4.527 0.073 0.000 0.304 60 F C -0.958 174.888 175.800 0.076 0.000 1.108 60 F CA -1.058 56.978 58.000 0.060 0.000 1.263 60 F CB 0.405 39.449 39.000 0.073 0.000 1.013 60 F HN -0.945 7.471 8.300 0.247 0.031 0.532 61 H N 4.522 123.651 119.070 0.097 0.000 3.125 61 H HA -0.015 4.588 4.556 0.079 0.000 0.310 61 H C -0.435 174.928 175.328 0.059 0.000 0.980 61 H CA 1.019 57.104 56.048 0.061 0.000 1.422 61 H CB 1.309 31.077 29.762 0.009 0.000 1.432 61 H HN -0.939 7.374 8.280 0.234 0.108 0.577 62 P HA -0.080 4.407 4.420 0.111 0.000 0.216 62 P C -0.609 176.792 177.300 0.168 0.000 1.153 62 P CA 1.516 64.671 63.100 0.092 0.000 0.848 62 P CB 0.477 32.174 31.700 -0.005 0.000 0.787 63 Q N -2.365 117.636 119.800 0.335 0.000 2.506 63 Q HA 0.438 4.852 4.340 0.124 0.000 0.242 63 Q C -1.451 174.634 176.000 0.142 0.000 1.060 63 Q CA -2.665 53.273 55.803 0.225 0.000 0.826 63 Q CB 0.098 28.940 28.738 0.173 0.000 1.169 63 Q HN -0.662 7.894 8.270 0.476 0.000 0.521 64 P HA -0.214 4.105 4.420 -0.170 0.000 0.216 64 P C 0.569 177.765 177.300 -0.173 0.000 1.150 64 P CA 1.990 65.024 63.100 -0.109 0.000 0.837 64 P CB 0.292 31.952 31.700 -0.066 0.000 0.786 65 E N -4.214 115.923 120.200 -0.105 0.000 2.478 65 E HA -0.200 4.089 4.350 -0.101 0.000 0.198 65 E C 0.678 177.210 176.600 -0.112 0.000 1.046 65 E CA 1.851 58.194 56.400 -0.096 0.000 0.870 65 E CB -1.956 27.708 29.700 -0.060 0.000 0.818 65 E HN 0.707 9.026 8.360 -0.070 0.000 0.527 66 Q N -1.977 117.730 119.800 -0.155 0.000 2.320 66 Q HA 0.034 4.319 4.340 -0.092 0.000 0.201 66 Q C -0.154 175.682 176.000 -0.273 0.000 0.910 66 Q CA -0.317 55.398 55.803 -0.148 0.000 0.946 66 Q CB 0.302 29.020 28.738 -0.034 0.000 1.062 66 Q HN -0.666 7.444 8.270 -0.169 0.058 0.503 67 R N -0.638 119.633 120.500 -0.381 0.000 2.537 67 R HA -0.176 3.909 4.340 -0.425 0.000 0.280 67 R C 0.060 176.271 176.300 -0.148 0.000 1.058 67 R CA 0.593 56.491 56.100 -0.336 0.000 1.057 67 R CB 0.632 30.765 30.300 -0.278 0.000 0.973 67 R HN -0.674 7.232 8.270 -0.355 0.151 0.438 68 S N 2.217 117.866 115.700 -0.085 0.000 2.608 68 S HA -0.127 4.320 4.470 -0.038 0.000 0.261 68 S C 1.068 175.646 174.600 -0.037 0.000 1.314 68 S CA -0.697 57.479 58.200 -0.040 0.000 0.992 68 S CB 1.347 64.542 63.200 -0.009 0.000 0.935 68 S HN 0.073 8.340 8.310 -0.072 0.000 0.564 69 L N 1.583 122.793 121.223 -0.022 0.000 2.079 69 L HA -0.219 4.108 4.340 -0.022 0.000 0.210 69 L C 2.362 179.227 176.870 -0.008 0.000 1.081 69 L CA 2.805 57.636 54.840 -0.016 0.000 0.752 69 L CB -1.583 40.470 42.059 -0.009 0.000 0.896 69 L HN 0.564 8.783 8.230 -0.018 0.000 0.433 70 A N -2.180 120.639 122.820 -0.001 0.000 1.902 70 A HA -0.377 3.951 4.320 0.013 0.000 0.217 70 A C 1.936 179.526 177.584 0.009 0.000 1.181 70 A CA 2.960 55.003 52.037 0.010 0.000 0.623 70 A CB -0.749 18.261 19.000 0.017 0.000 0.818 70 A HN 0.152 8.293 8.150 -0.001 0.009 0.443 71 M N -1.960 117.638 119.600 -0.002 0.000 2.086 71 M HA -0.404 4.243 4.480 0.007 -0.164 0.261 71 M C 2.608 178.891 176.300 -0.029 0.000 1.067 71 M CA 3.635 58.928 55.300 -0.011 0.000 1.116 71 M CB 0.054 32.637 32.600 -0.029 0.000 1.348 71 M HN -0.675 7.528 8.290 -0.007 0.083 0.407 72 Q N -2.847 116.930 119.800 -0.038 0.000 2.224 72 Q HA -0.259 4.049 4.340 -0.053 0.000 0.203 72 Q C 3.052 179.045 176.000 -0.010 0.000 0.970 72 Q CA 2.435 58.215 55.803 -0.038 0.000 0.865 72 Q CB -0.684 28.029 28.738 -0.042 0.000 0.922 72 Q HN -0.413 7.833 8.270 -0.039 0.000 0.445 73 A N 0.387 123.209 122.820 0.003 0.000 1.930 73 A HA -0.209 4.123 4.320 0.021 0.000 0.217 73 A C 1.984 179.592 177.584 0.040 0.000 1.175 73 A CA 3.381 55.431 52.037 0.021 0.000 0.627 73 A CB -0.732 18.281 19.000 0.022 0.000 0.815 73 A HN -0.326 7.810 8.150 0.000 0.013 0.443 74 D N -1.939 118.486 120.400 0.041 0.000 2.218 74 D HA -0.163 4.537 4.640 0.099 0.000 0.204 74 D C 0.882 177.244 176.300 0.103 0.000 0.976 74 D CA 2.653 56.700 54.000 0.079 0.000 0.853 74 D CB -0.333 40.510 40.800 0.070 0.000 0.939 74 D HN -0.511 7.769 8.370 0.027 0.106 0.481 75 L N -3.415 117.828 121.223 0.034 0.000 2.640 75 L HA 0.290 4.672 4.340 0.070 0.000 0.230 75 L C 0.492 177.395 176.870 0.054 0.000 1.123 75 L CA -0.911 53.941 54.840 0.020 0.000 0.900 75 L CB 0.094 42.098 42.059 -0.092 0.000 1.146 75 L HN -0.476 7.475 8.230 0.009 0.284 0.484 76 A N 1.833 124.686 122.820 0.055 0.000 1.877 76 A HA -0.271 4.071 4.320 0.035 0.000 0.216 76 A C 1.523 179.148 177.584 0.068 0.000 1.186 76 A CA 3.271 55.338 52.037 0.049 0.000 0.620 76 A CB -0.682 18.343 19.000 0.041 0.000 0.822 76 A HN -0.598 7.473 8.150 0.055 0.111 0.443 77 L N -1.781 119.495 121.223 0.088 0.000 2.017 77 L HA -0.371 4.019 4.340 0.082 0.000 0.208 77 L C 1.589 178.519 176.870 0.100 0.000 1.073 77 L CA 2.604 57.499 54.840 0.093 0.000 0.745 77 L CB -0.669 41.447 42.059 0.096 0.000 0.894 77 L HN -0.081 8.206 8.230 0.096 0.000 0.432 78 S N -0.698 115.081 115.700 0.133 0.000 2.365 78 S HA -0.486 4.043 4.470 0.097 0.000 0.225 78 S C 1.719 176.366 174.600 0.079 0.000 1.039 78 S CA 3.756 62.035 58.200 0.132 0.000 1.033 78 S CB -0.467 62.895 63.200 0.270 0.000 0.887 78 S HN 0.109 8.519 8.310 0.167 0.000 0.447 79 D N 1.048 121.489 120.400 0.069 0.000 2.123 79 D HA -0.337 4.338 4.640 0.058 0.000 0.196 79 D C 2.265 178.607 176.300 0.071 0.000 0.992 79 D CA 3.303 57.337 54.000 0.057 0.000 0.833 79 D CB -0.583 40.238 40.800 0.036 0.000 0.954 79 D HN -0.203 8.208 8.370 0.069 0.000 0.455 80 Q N 0.246 120.089 119.800 0.072 0.000 2.079 80 Q HA -0.246 4.139 4.340 0.076 0.000 0.200 80 Q C 2.531 178.590 176.000 0.099 0.000 0.974 80 Q CA 3.092 58.944 55.803 0.080 0.000 0.840 80 Q CB 0.038 28.822 28.738 0.077 0.000 0.898 80 Q HN -0.621 7.612 8.270 0.070 0.080 0.430 81 L N -1.675 119.606 121.223 0.097 0.000 2.093 81 L HA -0.266 4.188 4.340 0.189 0.000 0.208 81 L C 2.694 179.605 176.870 0.068 0.000 1.085 81 L CA 2.655 57.567 54.840 0.120 0.000 0.755 81 L CB 0.063 42.162 42.059 0.068 0.000 0.904 81 L HN -0.234 8.047 8.230 0.085 0.000 0.435 82 V N -1.024 118.906 119.914 0.027 0.000 2.358 82 V HA -0.528 3.541 4.120 -0.085 0.000 0.246 82 V C 1.775 177.946 176.094 0.128 0.000 1.047 82 V CA 4.392 66.699 62.300 0.012 0.000 1.035 82 V CB -0.243 31.611 31.823 0.052 0.000 0.658 82 V HN 0.116 8.327 8.190 0.035 0.000 0.452 83 G N -1.438 107.463 108.800 0.169 0.000 2.440 83 G HA2 -0.400 3.728 3.960 0.280 0.000 0.218 83 G HA3 -0.400 3.648 3.960 0.147 0.000 0.218 83 G C 0.932 175.935 174.900 0.171 0.000 1.154 83 G CA 2.182 47.400 45.100 0.198 0.000 0.767 83 G HN -0.229 8.142 8.290 0.136 0.000 0.552 84 E N -0.160 120.121 120.200 0.135 0.000 2.110 84 E HA -0.278 4.137 4.350 0.107 0.000 0.193 84 E C 1.220 177.890 176.600 0.115 0.000 0.988 84 E CA 2.277 58.751 56.400 0.123 0.000 0.804 84 E CB -0.134 29.649 29.700 0.138 0.000 0.745 84 E HN -0.722 7.717 8.360 0.132 0.000 0.458 85 L N -1.517 119.765 121.223 0.098 0.000 2.044 85 L HA -0.229 4.149 4.340 0.063 0.000 0.205 85 L C 1.513 178.378 176.870 -0.007 0.000 1.075 85 L CA 1.785 56.639 54.840 0.024 0.000 0.747 85 L CB 0.013 42.021 42.059 -0.085 0.000 0.903 85 L HN -0.846 7.331 8.230 0.094 0.109 0.435 86 F N -1.897 118.072 119.950 0.031 0.000 2.216 86 F HA -0.468 4.067 4.527 0.013 0.000 0.300 86 F C 2.081 177.891 175.800 0.017 0.000 1.085 86 F CA 3.401 61.410 58.000 0.016 0.000 1.326 86 F CB 0.125 39.129 39.000 0.008 0.000 1.027 86 F HN -0.126 8.250 8.300 0.127 0.000 0.497 87 D N -3.974 116.551 120.400 0.208 0.000 2.363 87 D HA -0.099 4.613 4.640 0.120 0.000 0.220 87 D C -0.910 175.441 176.300 0.085 0.000 0.994 87 D CA 1.446 55.521 54.000 0.125 0.000 0.890 87 D CB -0.057 40.800 40.800 0.096 0.000 0.906 87 D HN -0.478 7.993 8.370 0.199 0.019 0.530 88 S N -2.657 113.088 115.700 0.074 0.000 2.593 88 S HA 0.050 4.615 4.470 0.029 -0.077 0.297 88 S C -0.738 173.879 174.600 0.028 0.000 1.112 88 S CA -0.952 57.269 58.200 0.036 0.000 1.043 88 S CB 2.470 65.680 63.200 0.017 0.000 1.054 88 S HN -0.706 7.480 8.310 0.084 0.175 0.516 89 D N 0.853 121.258 120.400 0.008 0.000 2.379 89 D HA 0.229 4.878 4.640 0.016 0.000 0.218 89 D C -1.292 174.997 176.300 -0.019 0.000 1.006 89 D CA 2.239 56.242 54.000 0.005 0.000 0.893 89 D CB 2.740 43.546 40.800 0.010 0.000 1.019 89 D HN 0.520 8.783 8.370 -0.002 0.105 0.503 90 L N -0.209 120.987 121.223 -0.045 0.000 2.376 90 L HA 0.486 4.944 4.340 -0.057 -0.151 0.275 90 L C -2.886 173.934 176.870 -0.082 0.000 0.987 90 L CA -0.887 53.911 54.840 -0.069 0.000 0.828 90 L CB 3.273 45.273 42.059 -0.099 0.000 1.249 90 L HN -0.494 7.706 8.230 -0.050 0.000 0.409 91 L N 8.224 129.399 121.223 -0.081 0.000 2.264 91 L HA 0.646 5.097 4.340 -0.090 -0.165 0.289 91 L C -2.197 174.582 176.870 -0.152 0.000 1.044 91 L CA -1.556 53.229 54.840 -0.091 0.000 0.807 91 L CB 2.140 44.177 42.059 -0.037 0.000 1.192 91 L HN 0.478 8.664 8.230 -0.073 0.000 0.425 92 V N 8.580 128.375 119.914 -0.197 0.000 2.357 92 V HA 0.491 4.654 4.120 -0.262 -0.201 0.284 92 V C -1.296 174.628 176.094 -0.284 0.000 1.018 92 V CA -1.102 61.047 62.300 -0.252 0.000 0.841 92 V CB 1.333 33.005 31.823 -0.252 0.000 0.991 92 V HN 0.595 8.669 8.190 -0.193 0.000 0.437 93 I N 8.545 128.963 120.570 -0.252 0.000 2.339 93 I HA 0.576 4.755 4.170 -0.336 -0.211 0.290 93 I C -0.966 175.042 176.117 -0.182 0.000 0.994 93 I CA -1.479 59.665 61.300 -0.260 0.000 1.191 93 I CB 2.020 39.891 38.000 -0.215 0.000 1.343 93 I HN 0.509 8.585 8.210 -0.223 0.000 0.458 94 S N 7.106 122.718 115.700 -0.146 0.000 2.489 94 S HA 1.020 5.703 4.470 -0.061 -0.249 0.291 94 S C -0.730 173.830 174.600 -0.067 0.000 1.151 94 S CA -1.630 56.541 58.200 -0.048 0.000 1.082 94 S CB 2.122 65.385 63.200 0.105 0.000 1.019 94 S HN 0.279 8.478 8.310 -0.185 0.000 0.492 95 T N 2.723 117.231 114.554 -0.076 0.000 3.012 95 T HA 0.432 4.698 4.350 -0.141 0.000 0.330 95 T C -3.003 171.619 174.700 -0.130 0.000 1.321 95 T CA -2.838 59.192 62.100 -0.116 0.000 1.067 95 T CB 1.974 70.783 68.868 -0.098 0.000 1.235 95 T HN 0.612 8.813 8.240 -0.065 0.000 0.479 96 P HA 0.287 4.801 4.420 -0.113 -0.162 0.276 96 P C -1.510 175.676 177.300 -0.191 0.000 1.252 96 P CA -0.741 62.237 63.100 -0.203 0.000 0.802 96 P CB 1.133 32.627 31.700 -0.343 0.000 1.035 97 M N 1.140 120.672 119.600 -0.113 0.000 2.084 97 M HA 0.300 4.872 4.480 -0.113 -0.160 0.351 97 M C -1.273 175.050 176.300 0.037 0.000 1.240 97 M CA -0.125 55.104 55.300 -0.120 0.000 1.083 97 M CB 1.426 33.869 32.600 -0.262 0.000 1.593 97 M HN -0.445 7.790 8.290 -0.092 0.000 0.463 98 Y N 6.677 126.866 120.300 -0.186 0.000 2.369 98 Y HA 0.152 4.573 4.550 -0.215 0.000 0.337 98 Y C -0.385 175.381 175.900 -0.224 0.000 0.961 98 Y CA -2.777 55.208 58.100 -0.192 0.000 1.186 98 Y CB 0.163 38.549 38.460 -0.122 0.000 1.139 98 Y HN 0.318 8.630 8.280 0.054 0.000 0.494 99 N N 6.029 124.582 118.700 -0.245 0.000 2.705 99 N HA -0.407 3.940 4.740 -0.655 0.000 0.255 99 N C -1.253 174.178 175.510 -0.131 0.000 1.008 99 N CA 1.466 54.318 53.050 -0.330 0.000 0.742 99 N CB -1.063 37.376 38.487 -0.080 0.000 0.906 99 N HN 0.789 8.977 8.380 -0.320 0.000 0.541 100 F N -11.185 108.736 119.950 -0.049 0.000 2.840 100 F HA -0.547 3.895 4.527 -0.141 0.000 0.310 100 F C -0.874 174.934 175.800 0.014 0.000 0.688 100 F CA 1.239 59.218 58.000 -0.035 0.000 1.286 100 F CB -2.742 36.307 39.000 0.082 0.000 1.612 100 F HN 0.152 8.061 8.300 -0.652 0.000 0.335 101 S N -3.312 112.434 115.700 0.076 0.000 3.359 101 S HA 0.330 4.888 4.470 0.073 -0.043 0.323 101 S C -1.902 172.694 174.600 -0.007 0.000 1.143 101 S CA -1.824 56.394 58.200 0.029 0.000 0.989 101 S CB 1.561 64.721 63.200 -0.065 0.000 1.375 101 S HN -0.624 7.526 8.310 0.020 0.172 0.728 102 V N -3.786 116.105 119.914 -0.038 0.000 2.850 102 V HA 0.794 4.869 4.120 -0.076 0.000 0.315 102 V C -2.084 173.970 176.094 -0.065 0.000 1.064 102 V CA -3.965 58.309 62.300 -0.043 0.000 0.979 102 V CB 0.853 32.711 31.823 0.058 0.000 1.039 102 V HN 0.184 8.316 8.190 -0.098 0.000 0.452 103 P HA -0.004 4.457 4.420 0.068 0.000 0.266 103 P C 0.060 177.351 177.300 -0.017 0.000 1.193 103 P CA 0.024 63.067 63.100 -0.094 0.000 0.770 103 P CB 0.421 31.946 31.700 -0.291 0.000 0.836 104 S N 2.594 118.309 115.700 0.025 0.000 2.419 104 S HA -0.252 4.207 4.470 -0.017 0.000 0.233 104 S C 2.413 177.027 174.600 0.024 0.000 1.016 104 S CA 2.921 61.125 58.200 0.007 0.000 0.974 104 S CB -0.321 62.884 63.200 0.009 0.000 0.786 104 S HN 0.273 8.621 8.310 0.063 0.000 0.492 105 G N 2.034 110.851 108.800 0.028 0.000 2.422 105 G HA2 -0.227 3.764 3.960 0.052 0.000 0.218 105 G HA3 -0.227 3.924 3.960 0.030 -0.173 0.218 105 G C 0.804 175.758 174.900 0.091 0.000 1.146 105 G CA 1.512 46.639 45.100 0.046 0.000 0.769 105 G HN 0.219 8.498 8.290 0.020 0.024 0.547 106 L N 1.169 122.439 121.223 0.078 0.000 2.179 106 L HA -0.113 4.336 4.340 0.181 0.000 0.208 106 L C 1.261 178.303 176.870 0.288 0.000 1.096 106 L CA 1.862 56.799 54.840 0.162 0.000 0.779 106 L CB -0.211 41.904 42.059 0.094 0.000 0.922 106 L HN -0.609 7.641 8.230 0.035 0.000 0.443 107 K N -0.164 120.347 120.400 0.184 0.000 2.097 107 K HA -0.384 4.142 4.320 0.344 0.000 0.206 107 K C 1.557 178.249 176.600 0.155 0.000 1.049 107 K CA 2.639 59.031 56.287 0.175 0.000 0.933 107 K CB -0.572 31.906 32.500 -0.037 0.000 0.717 107 K HN -0.751 7.560 8.250 0.102 0.000 0.442 108 A N -1.392 121.493 122.820 0.109 0.000 1.930 108 A HA -0.176 4.146 4.320 0.004 0.000 0.217 108 A C 1.354 178.998 177.584 0.100 0.000 1.175 108 A CA 2.822 54.895 52.037 0.060 0.000 0.627 108 A CB -0.751 18.276 19.000 0.044 0.000 0.815 108 A HN -0.348 7.862 8.150 0.099 0.000 0.443 109 W N -1.080 120.225 121.300 0.007 0.000 2.355 109 W HA -0.375 4.284 4.660 -0.002 0.000 0.309 109 W C 1.536 178.067 176.519 0.020 0.000 1.206 109 W CA 4.407 61.757 57.345 0.008 0.000 1.284 109 W CB 0.124 29.589 29.460 0.008 0.000 1.145 109 W HN -0.678 7.635 8.180 0.356 0.081 0.502 110 I N -2.381 118.268 120.570 0.132 0.000 2.163 110 I HA -0.641 3.346 4.170 -0.306 0.000 0.243 110 I C 2.080 178.125 176.117 -0.121 0.000 1.085 110 I CA 3.300 64.564 61.300 -0.060 0.000 1.347 110 I CB -1.002 37.120 38.000 0.203 0.000 1.044 110 I HN -0.542 7.887 8.210 0.365 0.000 0.408 111 D N -3.428 116.947 120.400 -0.042 0.000 2.218 111 D HA -0.243 4.379 4.640 -0.031 0.000 0.204 111 D C 1.164 177.359 176.300 -0.175 0.000 0.976 111 D CA 2.581 56.529 54.000 -0.086 0.000 0.853 111 D CB -0.506 40.228 40.800 -0.110 0.000 0.939 111 D HN -0.449 7.930 8.370 0.016 0.000 0.481 112 Q N -4.484 115.183 119.800 -0.222 0.000 2.212 112 Q HA -0.100 4.132 4.340 -0.180 0.000 0.199 112 Q C 1.030 176.979 176.000 -0.084 0.000 0.950 112 Q CA 1.314 57.018 55.803 -0.165 0.000 0.863 112 Q CB 0.967 29.613 28.738 -0.154 0.000 0.944 112 Q HN -0.448 7.555 8.270 -0.224 0.133 0.465 113 I N -8.592 111.805 120.570 -0.290 0.000 3.956 113 I HA 0.202 4.253 4.170 -0.199 0.000 0.333 113 I C -0.542 175.487 176.117 -0.146 0.000 1.302 113 I CA -0.956 60.156 61.300 -0.312 0.000 1.122 113 I CB 0.633 38.213 38.000 -0.700 0.000 1.013 113 I HN -0.868 7.105 8.210 -0.395 0.000 0.405 114 V N 3.478 123.372 119.914 -0.033 0.000 2.322 114 V HA 0.115 4.333 4.120 0.162 0.000 0.258 114 V C -0.783 175.498 176.094 0.311 0.000 1.074 114 V CA 0.145 62.533 62.300 0.146 0.000 0.909 114 V CB -0.559 31.323 31.823 0.099 0.000 1.090 114 V HN -0.829 7.329 8.190 -0.054 0.000 0.486 115 R N 6.989 127.665 120.500 0.293 0.000 2.561 115 R HA 0.375 4.759 4.340 0.072 0.000 0.297 115 R C -1.657 174.530 176.300 -0.189 0.000 0.969 115 R CA -3.301 52.851 56.100 0.087 0.000 0.879 115 R CB 3.464 33.761 30.300 -0.005 0.000 1.178 115 R HN 0.446 8.880 8.270 0.273 0.000 0.445 116 L N 3.940 124.881 121.223 -0.469 0.000 2.499 116 L HA -0.295 3.209 4.340 -1.574 -0.108 0.273 116 L C 0.884 177.479 176.870 -0.459 0.000 1.195 116 L CA 0.961 55.314 54.840 -0.812 0.000 0.882 116 L CB 0.470 42.204 42.059 -0.542 0.000 1.133 116 L HN 0.500 8.463 8.230 -0.445 0.000 0.483 117 G N 5.332 113.877 108.800 -0.425 0.000 2.184 117 G HA2 -0.387 3.466 3.960 -0.178 0.000 0.264 117 G HA3 -0.387 3.471 3.960 -0.170 0.000 0.264 117 G C -0.546 174.277 174.900 -0.128 0.000 0.975 117 G CA 1.375 46.350 45.100 -0.209 0.000 0.642 117 G HN 0.280 8.231 8.290 -0.565 0.000 0.536 118 V N -1.672 118.169 119.914 -0.122 0.000 3.054 118 V HA 0.247 4.411 4.120 0.073 0.000 0.227 118 V C -0.010 176.163 176.094 0.132 0.000 1.252 118 V CA 1.022 63.347 62.300 0.041 0.000 1.279 118 V CB 1.696 33.549 31.823 0.051 0.000 1.118 118 V HN -0.589 7.409 8.190 -0.209 0.067 0.504 119 T N -4.909 109.675 114.554 0.049 0.000 3.023 119 T HA 0.144 4.495 4.350 0.002 0.000 0.253 119 T C -0.501 174.280 174.700 0.135 0.000 1.038 119 T CA 0.562 62.685 62.100 0.039 0.000 0.962 119 T CB 1.857 70.707 68.868 -0.030 0.000 1.018 119 T HN -0.469 7.784 8.240 0.021 0.000 0.521 120 F N -1.742 118.200 119.950 -0.015 0.000 2.711 120 F HA 0.788 5.388 4.527 -0.086 -0.124 0.313 120 F C -3.367 172.481 175.800 0.080 0.000 1.141 120 F CA -1.628 56.345 58.000 -0.044 0.000 0.941 120 F CB 2.915 41.806 39.000 -0.182 0.000 1.349 120 F HN -0.627 7.635 8.300 -0.063 0.000 0.464 121 D N -2.029 118.428 120.400 0.095 0.000 2.626 121 D HA 0.436 5.004 4.640 -0.120 0.000 0.278 121 D C -2.399 174.159 176.300 0.430 0.000 1.211 121 D CA -1.794 52.241 54.000 0.058 0.000 0.903 121 D CB 4.933 45.732 40.800 -0.001 0.000 1.408 121 D HN 0.253 8.819 8.370 0.326 0.000 0.454 122 F N -3.276 116.709 119.950 0.059 0.000 2.741 122 F HA 1.025 5.700 4.527 -0.038 -0.171 0.313 122 F C -2.608 173.142 175.800 -0.083 0.000 1.153 122 F CA -1.903 56.072 58.000 -0.041 0.000 0.931 122 F CB 3.278 42.127 39.000 -0.252 0.000 1.335 122 F HN 0.037 8.419 8.300 0.137 0.000 0.460 123 V N -0.097 119.613 119.914 -0.339 0.000 2.888 123 V HA 0.216 3.978 4.120 -0.597 0.000 0.309 123 V C -2.355 173.623 176.094 -0.195 0.000 1.114 123 V CA -1.397 60.671 62.300 -0.387 0.000 0.940 123 V CB 4.074 35.785 31.823 -0.187 0.000 1.021 123 V HN 0.116 8.257 8.190 -0.081 0.000 0.426 124 L N 5.539 126.650 121.223 -0.187 0.000 2.261 124 L HA 0.176 4.543 4.340 0.044 0.000 0.289 124 L C -1.694 175.162 176.870 -0.024 0.000 1.059 124 L CA -0.791 54.032 54.840 -0.030 0.000 0.816 124 L CB -0.135 41.928 42.059 0.005 0.000 1.191 124 L HN 0.264 8.347 8.230 -0.246 0.000 0.431 125 D N 6.444 126.844 120.400 0.000 0.000 2.453 125 D HA 0.072 4.707 4.640 -0.009 0.000 0.238 125 D C -0.815 175.492 176.300 0.011 0.000 1.088 125 D CA -0.980 53.020 54.000 -0.001 0.000 0.854 125 D CB 1.306 42.106 40.800 0.000 0.000 1.076 125 D HN -0.256 8.123 8.370 0.016 0.000 0.533 126 N N 5.057 123.762 118.700 0.008 0.000 2.716 126 N HA -0.371 4.375 4.740 0.010 0.000 0.250 126 N C 0.118 175.640 175.510 0.019 0.000 1.033 126 N CA 0.602 53.659 53.050 0.012 0.000 0.727 126 N CB -1.019 37.475 38.487 0.012 0.000 0.950 126 N HN 0.695 9.077 8.380 0.003 0.000 0.541 127 G N -5.315 103.500 108.800 0.025 0.000 2.420 127 G HA2 -0.401 3.581 3.960 0.036 0.000 0.221 127 G HA3 -0.401 3.577 3.960 0.029 0.000 0.221 127 G C -0.787 174.140 174.900 0.045 0.000 1.117 127 G CA 0.038 45.158 45.100 0.034 0.000 0.657 127 G HN -0.103 8.187 8.290 0.023 0.014 0.512 128 V N 3.023 122.962 119.914 0.041 0.000 2.539 128 V HA 0.087 4.236 4.120 0.048 0.000 0.292 128 V C -1.074 175.042 176.094 0.036 0.000 1.045 128 V CA -1.229 61.097 62.300 0.044 0.000 0.945 128 V CB 1.403 33.254 31.823 0.047 0.000 0.993 128 V HN -0.623 7.530 8.190 0.035 0.057 0.464 129 A N 5.318 128.141 122.820 0.005 0.000 2.454 129 A HA 0.099 4.637 4.320 0.092 -0.162 0.260 129 A C -0.264 177.197 177.584 -0.205 0.000 1.106 129 A CA -0.231 51.757 52.037 -0.082 0.000 0.780 129 A CB 0.442 19.195 19.000 -0.413 0.000 1.044 129 A HN 0.287 8.439 8.150 0.002 0.000 0.498 130 Q N 3.317 123.050 119.800 -0.112 0.000 2.331 130 Q HA 0.245 4.598 4.340 0.021 0.000 0.257 130 Q C -1.171 174.795 176.000 -0.057 0.000 0.957 130 Q CA -1.818 53.960 55.803 -0.042 0.000 0.923 130 Q CB 0.449 29.195 28.738 0.013 0.000 1.212 130 Q HN 0.114 8.360 8.270 -0.041 0.000 0.443 131 F N 4.297 124.384 119.950 0.228 0.000 2.371 131 F HA 0.409 5.306 4.527 0.353 -0.159 0.329 131 F C 0.636 176.485 175.800 0.082 0.000 1.107 131 F CA -0.176 57.962 58.000 0.230 0.000 1.137 131 F CB 2.288 41.421 39.000 0.221 0.000 1.214 131 F HN 0.286 8.792 8.300 0.345 0.000 0.536 132 R N 0.983 121.635 120.500 0.252 0.000 2.533 132 R HA 0.519 4.894 4.340 0.059 0.000 0.288 132 R C -2.808 173.515 176.300 0.038 0.000 1.039 132 R CA -3.315 52.842 56.100 0.094 0.000 0.909 132 R CB 3.247 33.592 30.300 0.075 0.000 1.195 132 R HN 0.537 9.023 8.270 0.361 0.000 0.438 133 P HA 0.138 4.509 4.420 -0.082 0.000 0.275 133 P C -1.327 175.975 177.300 0.004 0.000 1.228 133 P CA -0.159 62.905 63.100 -0.060 0.000 0.786 133 P CB 1.060 32.706 31.700 -0.091 0.000 0.927 134 L N -2.689 118.549 121.223 0.024 0.000 2.731 134 L HA 0.196 4.573 4.340 0.061 0.000 0.240 134 L C 0.274 177.198 176.870 0.089 0.000 1.120 134 L CA -0.256 54.625 54.840 0.067 0.000 0.913 134 L CB 0.976 43.099 42.059 0.106 0.000 1.213 134 L HN -0.098 8.142 8.230 0.017 0.000 0.515 135 L N 0.138 121.363 121.223 0.003 0.000 2.290 135 L HA 0.099 4.446 4.340 0.013 0.000 0.284 135 L C -1.158 175.718 176.870 0.010 0.000 1.078 135 L CA -0.511 54.311 54.840 -0.029 0.000 0.815 135 L CB 0.255 42.230 42.059 -0.140 0.000 1.162 135 L HN -0.459 7.755 8.230 -0.026 0.000 0.435 136 R N 3.185 123.713 120.500 0.047 0.000 2.686 136 R HA 0.203 4.556 4.340 0.021 0.000 0.283 136 R C -0.185 176.137 176.300 0.037 0.000 0.978 136 R CA -0.652 55.470 56.100 0.038 0.000 0.897 136 R CB 3.010 33.339 30.300 0.049 0.000 1.192 136 R HN 0.426 8.745 8.270 0.081 0.000 0.457 137 G N 2.285 111.098 108.800 0.022 0.000 2.160 137 G HA2 -0.321 3.650 3.960 0.018 0.000 0.244 137 G HA3 -0.321 3.656 3.960 0.029 0.000 0.244 137 G C -0.931 173.978 174.900 0.016 0.000 1.022 137 G CA 0.122 45.236 45.100 0.022 0.000 0.741 137 G HN 0.395 8.695 8.290 0.016 0.000 0.508 138 K N -1.331 119.071 120.400 0.004 0.000 2.267 138 K HA 0.433 4.922 4.320 -0.002 -0.170 0.246 138 K C -1.020 175.570 176.600 -0.016 0.000 0.954 138 K CA -1.119 55.164 56.287 -0.007 0.000 0.824 138 K CB 2.541 35.029 32.500 -0.020 0.000 1.167 138 K HN -0.509 7.741 8.250 0.000 0.000 0.431 139 R N -1.078 119.408 120.500 -0.023 0.000 2.919 139 R HA 0.674 5.111 4.340 -0.029 -0.114 0.260 139 R C -1.755 174.514 176.300 -0.051 0.000 1.067 139 R CA -1.588 54.493 56.100 -0.031 0.000 1.003 139 R CB 4.669 34.955 30.300 -0.023 0.000 1.192 139 R HN 0.080 8.336 8.270 -0.024 0.000 0.488 140 A N -0.849 121.932 122.820 -0.065 0.000 2.486 140 A HA 0.966 5.444 4.320 -0.099 -0.218 0.300 140 A C -2.895 174.615 177.584 -0.122 0.000 1.048 140 A CA -1.372 50.611 52.037 -0.090 0.000 0.696 140 A CB 4.040 22.996 19.000 -0.073 0.000 1.278 140 A HN 0.414 8.528 8.150 -0.059 0.000 0.405 141 L N 3.577 124.691 121.223 -0.181 0.000 2.349 141 L HA 0.821 5.225 4.340 -0.189 -0.178 0.278 141 L C -2.275 174.467 176.870 -0.213 0.000 0.996 141 L CA -1.422 53.278 54.840 -0.234 0.000 0.825 141 L CB 3.667 45.475 42.059 -0.418 0.000 1.243 141 L HN 0.527 8.641 8.230 -0.193 0.000 0.412 142 I N 7.311 127.787 120.570 -0.157 0.000 2.328 142 I HA 0.375 4.651 4.170 -0.139 -0.189 0.287 142 I C -1.194 174.854 176.117 -0.114 0.000 1.012 142 I CA -0.911 60.314 61.300 -0.126 0.000 1.195 142 I CB 1.117 39.068 38.000 -0.083 0.000 1.350 142 I HN 0.786 8.914 8.210 -0.137 0.000 0.464 143 V N 9.192 129.036 119.914 -0.117 0.000 2.333 143 V HA 0.443 4.694 4.120 -0.076 -0.177 0.274 143 V C -1.151 174.911 176.094 -0.053 0.000 1.028 143 V CA -1.067 61.183 62.300 -0.083 0.000 0.851 143 V CB 0.796 32.571 31.823 -0.080 0.000 1.000 143 V HN 0.554 8.666 8.190 -0.130 0.000 0.456 144 T N 7.986 122.518 114.554 -0.036 0.000 2.893 144 T HA 0.858 5.415 4.350 -0.040 -0.231 0.291 144 T C -1.997 172.698 174.700 -0.009 0.000 1.028 144 T CA -2.877 59.205 62.100 -0.030 0.000 0.995 144 T CB 2.080 70.932 68.868 -0.027 0.000 1.051 144 T HN 0.447 8.669 8.240 -0.030 0.000 0.470 145 S N 4.631 120.326 115.700 -0.010 0.000 2.521 145 S HA 0.870 5.550 4.470 0.049 -0.181 0.295 145 S C -1.723 172.878 174.600 0.002 0.000 1.098 145 S CA -1.886 56.330 58.200 0.027 0.000 0.999 145 S CB 1.550 64.782 63.200 0.054 0.000 1.034 145 S HN -0.034 8.258 8.310 -0.030 0.000 0.483 146 R N 5.136 125.648 120.500 0.020 0.000 2.750 146 R HA 0.413 4.705 4.340 -0.081 0.000 0.281 146 R C 0.306 176.591 176.300 -0.025 0.000 0.972 146 R CA -1.391 54.685 56.100 -0.039 0.000 0.912 146 R CB 3.529 33.797 30.300 -0.053 0.000 1.187 146 R HN 0.264 8.570 8.270 0.060 0.000 0.464 147 G N 1.317 110.077 108.800 -0.066 0.000 2.408 147 G HA2 -0.182 3.707 3.960 -0.118 0.000 0.215 147 G HA3 -0.182 3.724 3.960 -0.090 0.000 0.215 147 G C -0.728 174.115 174.900 -0.094 0.000 1.156 147 G CA 0.930 45.976 45.100 -0.090 0.000 0.793 147 G HN 0.674 8.910 8.290 -0.091 0.000 0.535 148 G N -1.674 107.141 108.800 0.024 0.000 2.642 148 G HA2 0.289 4.226 3.960 -0.039 0.000 0.291 148 G HA3 0.289 4.413 3.960 0.273 0.000 0.291 148 G C -2.134 172.754 174.900 -0.020 0.000 1.345 148 G CA -1.645 43.501 45.100 0.077 0.000 1.043 148 G HN -0.551 7.792 8.290 0.088 0.000 0.528 149 H N -3.087 116.081 119.070 0.164 0.000 2.710 149 H HA -0.118 4.692 4.556 0.154 -0.161 0.361 149 H C 0.647 175.870 175.328 -0.175 0.000 1.175 149 H CA -0.678 55.413 56.048 0.070 0.000 1.206 149 H CB 2.024 31.805 29.762 0.032 0.000 1.750 149 H HN 0.013 8.405 8.280 0.186 0.000 0.553 150 G N -1.624 107.185 108.800 0.016 0.000 2.141 150 G HA2 -0.390 3.543 3.960 -0.045 0.000 0.231 150 G HA3 -0.390 3.436 3.960 -0.222 0.000 0.231 150 G C -0.150 174.605 174.900 -0.242 0.000 0.984 150 G CA 0.670 45.682 45.100 -0.147 0.000 0.660 150 G HN 0.237 8.941 8.290 0.141 -0.330 0.525 151 F N -0.061 119.938 119.950 0.081 0.000 2.776 151 F HA 0.051 4.617 4.527 0.065 0.000 0.300 151 F C 0.759 176.586 175.800 0.045 0.000 1.116 151 F CA 0.645 58.685 58.000 0.066 0.000 1.375 151 F CB 0.061 39.108 39.000 0.077 0.000 1.109 151 F HN -0.402 8.302 8.300 0.190 -0.289 0.585 152 G N -0.963 107.941 108.800 0.173 0.000 2.557 152 G HA2 0.230 4.261 3.960 0.117 0.000 0.292 152 G HA3 0.230 4.251 3.960 0.100 0.000 0.292 152 G C -2.468 172.473 174.900 0.068 0.000 1.237 152 G CA -1.806 43.361 45.100 0.112 0.000 0.978 152 G HN -0.560 7.778 8.290 0.152 0.044 0.498 153 P HA -0.436 4.002 4.420 0.029 0.000 0.264 153 P C 0.158 177.471 177.300 0.023 0.000 1.193 153 P CA 1.471 64.590 63.100 0.031 0.000 0.763 153 P CB -0.498 31.218 31.700 0.027 0.000 0.810 154 G N 4.883 113.691 108.800 0.013 0.000 2.184 154 G HA2 -0.397 3.564 3.960 0.002 0.000 0.264 154 G HA3 -0.397 3.567 3.960 0.007 0.000 0.264 154 G C 0.171 175.070 174.900 -0.003 0.000 0.975 154 G CA -0.075 45.028 45.100 0.005 0.000 0.642 154 G HN 0.184 8.749 8.290 0.012 -0.268 0.536 155 G N -0.854 107.945 108.800 -0.002 0.000 2.527 155 G HA2 0.008 3.956 3.960 -0.020 0.000 0.248 155 G HA3 0.008 4.110 3.960 -0.023 -0.156 0.248 155 G C 0.121 174.989 174.900 -0.053 0.000 1.231 155 G CA -1.342 43.744 45.100 -0.024 0.000 0.838 155 G HN -0.499 7.719 8.290 0.009 0.077 0.570 156 E N 3.822 123.976 120.200 -0.076 0.000 2.085 156 E HA -0.286 4.028 4.350 -0.060 0.000 0.194 156 E C 0.329 176.860 176.600 -0.114 0.000 0.994 156 E CA 2.853 59.202 56.400 -0.084 0.000 0.801 156 E CB 0.165 29.813 29.700 -0.087 0.000 0.743 156 E HN 0.497 8.812 8.360 -0.075 0.000 0.453 157 N N -2.422 116.156 118.700 -0.204 0.000 2.320 157 N HA 0.229 4.877 4.740 -0.152 0.000 0.237 157 N C 0.550 175.996 175.510 -0.105 0.000 1.129 157 N CA -0.328 52.577 53.050 -0.242 0.000 0.854 157 N CB 0.202 38.320 38.487 -0.614 0.000 1.083 157 N HN -0.453 7.664 8.380 -0.253 0.111 0.504 158 Q N 2.600 122.372 119.800 -0.046 0.000 2.135 158 Q HA -0.289 4.098 4.340 0.078 0.000 0.204 158 Q C 1.289 177.300 176.000 0.019 0.000 0.981 158 Q CA 3.790 59.608 55.803 0.026 0.000 0.856 158 Q CB -0.030 28.715 28.738 0.011 0.000 0.902 158 Q HN -0.648 7.524 8.270 -0.059 0.063 0.425 159 A N -3.298 119.513 122.820 -0.015 0.000 2.121 159 A HA -0.184 4.097 4.320 -0.066 0.000 0.218 159 A C 0.676 178.202 177.584 -0.097 0.000 1.154 159 A CA 1.834 53.842 52.037 -0.049 0.000 0.679 159 A CB -0.707 18.277 19.000 -0.026 0.000 0.795 159 A HN 0.304 8.442 8.150 -0.020 0.000 0.458 160 M N -6.051 113.546 119.600 -0.005 0.000 2.558 160 M HA -0.180 4.285 4.480 -0.025 0.000 0.255 160 M C -0.352 176.003 176.300 0.092 0.000 1.113 160 M CA 1.103 56.425 55.300 0.038 0.000 1.097 160 M CB 0.322 33.004 32.600 0.137 0.000 1.426 160 M HN -0.738 7.432 8.290 0.046 0.147 0.488 161 N N -0.635 118.100 118.700 0.058 0.000 2.402 161 N HA -0.101 4.738 4.740 0.165 0.000 0.259 161 N C -0.344 175.074 175.510 -0.155 0.000 1.167 161 N CA 0.256 53.349 53.050 0.072 0.000 0.949 161 N CB -0.288 38.296 38.487 0.162 0.000 1.212 161 N HN -0.785 7.470 8.380 0.051 0.155 0.493 162 H N 5.171 124.330 119.070 0.149 0.000 2.486 162 H HA 0.156 4.804 4.556 0.154 0.000 0.284 162 H C -1.411 174.003 175.328 0.145 0.000 1.103 162 H CA -0.215 55.910 56.048 0.128 0.000 1.089 162 H CB -0.203 29.593 29.762 0.056 0.000 1.603 162 H HN -0.026 8.385 8.280 0.219 0.000 0.557 163 A N -0.115 122.828 122.820 0.206 0.000 2.179 163 A HA 0.040 4.498 4.320 0.229 0.000 0.224 163 A C -0.001 177.740 177.584 0.262 0.000 1.759 163 A CA 1.135 53.292 52.037 0.201 0.000 0.688 163 A CB 1.178 20.218 19.000 0.067 0.000 1.342 163 A HN -0.365 8.104 8.150 0.148 -0.230 0.543 164 D N -2.328 118.155 120.400 0.139 0.000 2.183 164 D HA 0.069 4.763 4.640 0.091 0.000 0.203 164 D C -0.782 175.566 176.300 0.080 0.000 0.969 164 D CA 3.826 57.880 54.000 0.091 0.000 0.842 164 D CB -1.987 38.836 40.800 0.039 0.000 0.957 164 D HN -0.128 8.301 8.370 0.098 0.000 0.484 165 P HA -0.054 4.392 4.420 0.044 0.000 0.219 165 P C 0.693 178.064 177.300 0.118 0.000 1.150 165 P CA 1.833 64.982 63.100 0.083 0.000 0.814 165 P CB -0.443 31.301 31.700 0.073 0.000 0.787 166 W N -1.841 119.479 121.300 0.033 0.000 2.418 166 W HA -0.192 4.487 4.660 0.032 0.000 0.292 166 W C 0.609 177.139 176.519 0.018 0.000 1.213 166 W CA 3.142 60.508 57.345 0.035 0.000 1.283 166 W CB -0.489 29.006 29.460 0.058 0.000 1.119 166 W HN -0.469 7.943 8.180 0.387 0.000 0.542 167 L N -0.993 120.061 121.223 -0.282 0.000 2.083 167 L HA -0.587 3.105 4.340 -1.081 0.000 0.209 167 L C 2.317 178.951 176.870 -0.394 0.000 1.083 167 L CA 3.418 57.926 54.840 -0.553 0.000 0.752 167 L CB -0.559 41.395 42.059 -0.175 0.000 0.899 167 L HN -0.482 7.799 8.230 0.086 0.000 0.433 168 R N -1.834 118.541 120.500 -0.208 0.000 2.083 168 R HA -0.426 3.839 4.340 -0.125 0.000 0.237 168 R C 2.593 178.793 176.300 -0.167 0.000 1.137 168 R CA 4.381 60.397 56.100 -0.141 0.000 0.951 168 R CB -0.148 30.111 30.300 -0.068 0.000 0.851 168 R HN -0.400 7.788 8.270 -0.137 0.000 0.434 169 T N 1.324 115.760 114.554 -0.197 0.000 2.684 169 T HA -0.401 3.897 4.350 -0.088 0.000 0.267 169 T C 1.642 176.212 174.700 -0.217 0.000 1.036 169 T CA 4.202 66.205 62.100 -0.163 0.000 1.148 169 T CB -0.171 68.624 68.868 -0.121 0.000 0.863 169 T HN -0.738 7.384 8.240 -0.197 0.000 0.436 170 A N 1.117 123.669 122.820 -0.447 0.000 1.873 170 A HA -0.204 3.939 4.320 -0.295 0.000 0.215 170 A C 2.069 179.532 177.584 -0.201 0.000 1.186 170 A CA 2.978 54.777 52.037 -0.397 0.000 0.616 170 A CB -0.686 17.886 19.000 -0.713 0.000 0.823 170 A HN -0.529 7.215 8.150 -0.678 0.000 0.442 171 L N -3.433 117.655 121.223 -0.224 0.000 2.083 171 L HA -0.398 3.877 4.340 -0.108 0.000 0.209 171 L C 2.570 179.399 176.870 -0.067 0.000 1.083 171 L CA 2.377 57.143 54.840 -0.123 0.000 0.752 171 L CB -0.404 41.587 42.059 -0.114 0.000 0.899 171 L HN -0.094 7.956 8.230 -0.300 0.000 0.433 172 G N -1.875 106.890 108.800 -0.058 0.000 2.432 172 G HA2 -0.363 3.698 3.960 -0.030 0.000 0.219 172 G HA3 -0.363 3.587 3.960 -0.016 0.000 0.219 172 G C 0.815 175.724 174.900 0.015 0.000 1.135 172 G CA 1.848 46.935 45.100 -0.021 0.000 0.767 172 G HN -0.081 8.157 8.290 -0.086 0.000 0.550 173 F N 1.223 121.095 119.950 -0.129 0.000 2.269 173 F HA -0.294 4.170 4.527 -0.104 0.000 0.301 173 F C 0.161 175.911 175.800 -0.082 0.000 1.082 173 F CA 2.194 60.112 58.000 -0.135 0.000 1.360 173 F CB 0.701 39.560 39.000 -0.235 0.000 1.041 173 F HN -0.759 7.502 8.300 0.126 0.115 0.512 174 I N -10.187 110.344 120.570 -0.064 0.000 3.883 174 I HA 0.385 4.573 4.170 -0.132 -0.098 0.326 174 I C -0.098 175.969 176.117 -0.084 0.000 1.283 174 I CA -0.340 60.907 61.300 -0.089 0.000 1.161 174 I CB 0.708 38.686 38.000 -0.036 0.000 1.012 174 I HN -0.887 7.303 8.210 0.001 0.021 0.421 175 G N -0.848 107.908 108.800 -0.073 0.000 2.227 175 G HA2 -0.265 3.667 3.960 -0.047 0.000 0.168 175 G HA3 -0.265 3.839 3.960 -0.047 -0.173 0.168 175 G C -0.754 174.122 174.900 -0.041 0.000 1.006 175 G CA -0.409 44.660 45.100 -0.051 0.000 0.684 175 G HN -0.640 7.491 8.290 -0.066 0.119 0.489 176 I N 2.875 123.416 120.570 -0.048 0.000 2.276 176 I HA -0.076 4.073 4.170 -0.036 0.000 0.290 176 I C -1.845 174.248 176.117 -0.039 0.000 1.109 176 I CA 0.011 61.285 61.300 -0.043 0.000 1.229 176 I CB -0.982 36.988 38.000 -0.050 0.000 1.452 176 I HN -0.436 7.742 8.210 -0.054 0.000 0.497 177 D N 2.953 123.336 120.400 -0.028 0.000 2.433 177 D HA 0.100 4.722 4.640 -0.030 0.000 0.211 177 D C -0.067 176.221 176.300 -0.021 0.000 1.114 177 D CA -0.640 53.346 54.000 -0.024 0.000 0.837 177 D CB 0.775 41.567 40.800 -0.014 0.000 0.984 177 D HN -0.139 8.217 8.370 -0.023 0.000 0.505 178 E N 2.040 122.228 120.200 -0.020 0.000 1.941 178 E HA 0.138 4.479 4.350 -0.015 0.000 0.275 178 E C -2.051 174.531 176.600 -0.030 0.000 1.113 178 E CA -0.241 56.148 56.400 -0.019 0.000 0.878 178 E CB -0.025 29.668 29.700 -0.011 0.000 1.070 178 E HN 0.095 8.443 8.360 -0.020 0.000 0.399 179 V N 7.599 127.493 119.914 -0.033 0.000 2.577 179 V HA 0.555 4.853 4.120 -0.057 -0.212 0.303 179 V C -0.819 175.248 176.094 -0.044 0.000 1.042 179 V CA -1.487 60.785 62.300 -0.047 0.000 0.872 179 V CB 2.871 34.663 31.823 -0.051 0.000 0.998 179 V HN 0.089 8.263 8.190 -0.027 0.000 0.423 180 T N 10.103 124.621 114.554 -0.059 0.000 2.797 180 T HA 0.382 4.710 4.350 -0.037 0.000 0.279 180 T C -1.818 172.841 174.700 -0.068 0.000 0.991 180 T CA -0.667 61.400 62.100 -0.054 0.000 0.979 180 T CB 1.278 70.112 68.868 -0.056 0.000 0.943 180 T HN 0.339 8.534 8.240 -0.075 0.000 0.444 181 V N 7.061 126.948 119.914 -0.045 0.000 2.384 181 V HA 0.461 4.731 4.120 -0.059 -0.185 0.287 181 V C -0.746 175.329 176.094 -0.032 0.000 1.020 181 V CA -1.165 61.110 62.300 -0.041 0.000 0.850 181 V CB 1.397 33.209 31.823 -0.018 0.000 0.987 181 V HN 0.376 8.547 8.190 -0.031 0.000 0.436 182 V N 9.418 129.305 119.914 -0.044 0.000 2.357 182 V HA 0.224 4.336 4.120 -0.013 0.000 0.284 182 V C -1.965 174.120 176.094 -0.015 0.000 1.018 182 V CA -0.963 61.320 62.300 -0.027 0.000 0.841 182 V CB 1.770 33.569 31.823 -0.040 0.000 0.991 182 V HN 0.459 8.611 8.190 -0.063 0.000 0.437 183 A N 7.715 130.539 122.820 0.006 0.000 2.355 183 A HA 0.887 5.415 4.320 0.013 -0.201 0.317 183 A C -1.690 175.912 177.584 0.029 0.000 1.094 183 A CA -1.709 50.342 52.037 0.022 0.000 0.764 183 A CB 2.904 21.931 19.000 0.045 0.000 1.230 183 A HN 0.271 8.428 8.150 0.012 0.000 0.448 184 A N 3.969 126.809 122.820 0.033 0.000 2.318 184 A HA 0.511 4.848 4.320 0.028 0.000 0.317 184 A C -1.608 176.039 177.584 0.104 0.000 1.159 184 A CA -1.425 50.636 52.037 0.040 0.000 0.799 184 A CB 2.638 21.632 19.000 -0.010 0.000 1.194 184 A HN 0.312 8.481 8.150 0.032 0.000 0.479 185 E N 3.082 123.359 120.200 0.129 0.000 2.299 185 E HA 0.350 4.888 4.350 0.079 -0.140 0.260 185 E C 0.754 177.412 176.600 0.097 0.000 0.944 185 E CA -1.968 54.488 56.400 0.092 0.000 0.815 185 E CB 2.823 32.579 29.700 0.093 0.000 1.252 185 E HN -0.351 8.084 8.360 0.125 0.000 0.418 186 G N 1.424 110.078 108.800 -0.244 0.000 2.176 186 G HA2 -0.379 3.437 3.960 -0.503 0.000 0.252 186 G HA3 -0.379 3.477 3.960 -0.174 0.000 0.252 186 G C -0.054 174.753 174.900 -0.155 0.000 1.024 186 G CA 0.648 45.579 45.100 -0.282 0.000 0.755 186 G HN 0.280 8.378 8.290 -0.319 0.000 0.507 187 E N 0.006 120.035 120.200 -0.285 0.000 2.515 187 E HA -0.265 2.261 4.350 -3.039 0.000 0.201 187 E C 0.151 176.340 176.600 -0.686 0.000 1.071 187 E CA 1.026 56.730 56.400 -1.161 0.000 0.880 187 E CB -0.140 29.306 29.700 -0.423 0.000 0.828 187 E HN -0.633 7.700 8.360 -0.045 0.000 0.540 194 F N 4.997 124.999 119.950 0.086 0.000 2.179 194 F HA 0.174 4.751 4.527 0.083 0.000 0.292 194 F C 0.563 176.392 175.800 0.048 0.000 1.089 194 F CA 1.660 59.702 58.000 0.070 0.000 1.295 194 F CB 0.185 39.217 39.000 0.053 0.000 1.041 194 F HN 0.201 8.709 8.300 0.347 0.000 0.487 195 E N -1.484 118.711 120.200 -0.009 0.000 2.204 195 E HA -0.332 3.877 4.350 -0.235 0.000 0.195 195 E C 1.865 178.395 176.600 -0.116 0.000 0.990 195 E CA 3.452 59.784 56.400 -0.113 0.000 0.821 195 E CB -0.911 28.795 29.700 0.009 0.000 0.750 195 E HN 0.477 8.930 8.360 0.155 0.000 0.477 196 D N -0.740 119.630 120.400 -0.050 0.000 2.091 196 D HA -0.146 4.475 4.640 -0.032 0.000 0.199 196 D C 2.096 178.360 176.300 -0.060 0.000 0.980 196 D CA 3.170 57.150 54.000 -0.033 0.000 0.831 196 D CB -0.666 40.140 40.800 0.010 0.000 0.987 196 D HN 0.084 8.431 8.370 -0.005 0.020 0.460 197 S N 0.771 116.432 115.700 -0.066 0.000 2.370 197 S HA -0.396 4.062 4.470 -0.020 0.000 0.226 197 S C 2.009 176.518 174.600 -0.152 0.000 1.033 197 S CA 3.425 61.586 58.200 -0.065 0.000 1.011 197 S CB -0.014 63.188 63.200 0.002 0.000 0.852 197 S HN -0.650 7.637 8.310 -0.039 0.000 0.457 198 C N 0.223 119.328 119.300 -0.325 0.000 2.446 198 C HA -0.380 3.923 4.460 -0.262 0.000 0.277 198 C C 1.435 176.326 174.990 -0.166 0.000 1.275 198 C CA 4.931 63.757 59.018 -0.321 0.000 1.727 198 C CB -0.156 27.256 27.740 -0.547 0.000 2.010 198 C HN 0.159 8.116 8.230 -0.455 0.000 0.486 199 D N 0.121 120.439 120.400 -0.137 0.000 2.178 199 D HA -0.218 4.384 4.640 -0.065 0.000 0.202 199 D C 1.679 177.953 176.300 -0.043 0.000 0.974 199 D CA 3.042 56.999 54.000 -0.072 0.000 0.841 199 D CB -0.157 40.610 40.800 -0.054 0.000 0.953 199 D HN -0.420 7.856 8.370 -0.156 0.000 0.478 200 E N -0.064 120.111 120.200 -0.043 0.000 2.072 200 E HA -0.217 4.127 4.350 -0.010 0.000 0.190 200 E C 1.912 178.505 176.600 -0.011 0.000 0.982 200 E CA 2.486 58.875 56.400 -0.018 0.000 0.803 200 E CB -0.435 29.259 29.700 -0.010 0.000 0.755 200 E HN -0.328 7.986 8.360 -0.056 0.012 0.453 201 A N -0.823 121.982 122.820 -0.024 0.000 1.940 201 A HA -0.342 3.977 4.320 -0.002 0.000 0.219 201 A C 1.799 179.387 177.584 0.006 0.000 1.176 201 A CA 3.578 55.607 52.037 -0.012 0.000 0.631 201 A CB -0.696 18.287 19.000 -0.029 0.000 0.814 201 A HN -0.291 7.833 8.150 -0.043 0.000 0.446 202 E N -1.672 118.526 120.200 -0.004 0.000 2.072 202 E HA -0.412 3.959 4.350 0.035 0.000 0.190 202 E C 2.348 178.968 176.600 0.033 0.000 0.982 202 E CA 2.886 59.296 56.400 0.017 0.000 0.803 202 E CB -0.054 29.644 29.700 -0.002 0.000 0.755 202 E HN -0.484 7.848 8.360 -0.024 0.013 0.453 203 Q N -1.696 118.116 119.800 0.020 0.000 2.119 203 Q HA -0.280 4.076 4.340 0.027 0.000 0.201 203 Q C 2.735 178.761 176.000 0.043 0.000 0.972 203 Q CA 2.480 58.299 55.803 0.026 0.000 0.847 203 Q CB -0.384 28.363 28.738 0.015 0.000 0.903 203 Q HN -0.561 7.714 8.270 0.008 0.000 0.433 204 R N 0.776 121.301 120.500 0.042 0.000 2.081 204 R HA -0.261 4.109 4.340 0.050 0.000 0.235 204 R C 2.474 178.830 176.300 0.093 0.000 1.131 204 R CA 2.591 58.723 56.100 0.053 0.000 0.960 204 R CB -0.693 29.628 30.300 0.035 0.000 0.856 204 R HN -0.295 7.994 8.270 0.031 0.000 0.436 205 L N -1.686 119.606 121.223 0.115 0.000 2.109 205 L HA -0.291 4.205 4.340 0.260 0.000 0.207 205 L C 2.239 179.269 176.870 0.268 0.000 1.086 205 L CA 2.940 57.919 54.840 0.233 0.000 0.760 205 L CB -0.195 41.999 42.059 0.224 0.000 0.910 205 L HN -0.367 7.917 8.230 0.089 0.000 0.437 206 L N -2.146 119.161 121.223 0.139 0.000 2.093 206 L HA -0.399 3.978 4.340 0.062 0.000 0.208 206 L C 2.166 179.082 176.870 0.075 0.000 1.085 206 L CA 2.984 57.872 54.840 0.080 0.000 0.755 206 L CB -0.735 41.350 42.059 0.044 0.000 0.904 206 L HN -0.346 7.950 8.230 0.109 0.000 0.435 207 A N -0.604 122.268 122.820 0.086 0.000 1.898 207 A HA -0.277 4.078 4.320 0.058 0.000 0.216 207 A C 2.050 179.703 177.584 0.114 0.000 1.181 207 A CA 3.012 55.096 52.037 0.078 0.000 0.620 207 A CB -0.778 18.261 19.000 0.063 0.000 0.819 207 A HN -0.454 7.747 8.150 0.086 0.000 0.442 208 L N -2.628 118.701 121.223 0.177 0.000 2.083 208 L HA -0.232 4.222 4.340 0.190 0.000 0.209 208 L C 2.482 179.547 176.870 0.324 0.000 1.083 208 L CA 2.545 57.539 54.840 0.257 0.000 0.752 208 L CB -0.121 42.123 42.059 0.308 0.000 0.899 208 L HN -0.443 7.896 8.230 0.183 0.000 0.433 209 A N -1.989 120.970 122.820 0.231 0.000 1.898 209 A HA -0.194 4.071 4.320 -0.093 0.000 0.216 209 A C 1.902 179.517 177.584 0.050 0.000 1.181 209 A CA 2.178 54.188 52.037 -0.044 0.000 0.620 209 A CB -0.534 18.270 19.000 -0.326 0.000 0.819 209 A HN -0.400 7.884 8.150 0.224 0.000 0.442 210 R N -3.652 116.875 120.500 0.045 0.000 2.103 210 R HA -0.283 4.055 4.340 -0.005 0.000 0.242 210 R C 0.565 176.904 176.300 0.066 0.000 1.142 210 R CA 2.502 58.619 56.100 0.029 0.000 0.960 210 R CB 0.562 30.875 30.300 0.021 0.000 0.858 210 R HN -0.573 7.727 8.270 0.050 0.000 0.439 211 S N 0.000 115.759 115.700 0.098 0.000 2.498 211 S HA 0.000 4.521 4.470 0.085 0.000 0.327 211 S CA 0.000 58.261 58.200 0.102 0.000 1.107 211 S CB 0.000 63.252 63.200 0.087 0.000 0.593 211 S HN 0.000 8.362 8.310 0.110 0.014 0.517