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 1cex_1_A DATA FIRST_RESID 17 DATA SEQUENCE RTTRDDLING NSAScADVIF IYARGSTETG NLGTLGPSIA SNLESAFGKD DATA SEQUENCE GVWIQGVGGA YRATLGDNAL PRGTSSAAIR EMLGLFQQAN TKcPDATLIA DATA SEQUENCE GGYSQGAALA AASIEDLDSA IRDKIAGTVL FGYTKNLQNR GRIPNYPADR DATA SEQUENCE TKVFcNTGDL VcTGSLIVAA PHLAYGPDAR GPAPEFLIEK VRAVRGS 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 17 R HA 0.000 4.337 4.340 -0.005 0.000 0.208 17 R C 0.000 176.301 176.300 0.002 0.000 0.893 17 R CA 0.000 56.099 56.100 -0.002 0.000 0.921 17 R CB 0.000 30.298 30.300 -0.003 0.000 0.687 18 T N -2.758 111.799 114.554 0.004 0.000 3.100 18 T HA 0.041 4.399 4.350 0.014 0.000 0.253 18 T C -0.942 173.772 174.700 0.023 0.000 1.118 18 T CA 0.884 62.992 62.100 0.014 0.000 1.058 18 T CB 0.565 69.442 68.868 0.014 0.000 0.953 18 T HN -0.097 8.144 8.240 0.002 0.000 0.515 19 T N 3.169 117.731 114.554 0.015 0.000 2.809 19 T HA 0.452 5.025 4.350 0.023 -0.209 0.284 19 T C -0.486 174.220 174.700 0.010 0.000 0.992 19 T CA -0.357 61.751 62.100 0.014 0.000 0.957 19 T CB 1.520 70.389 68.868 0.003 0.000 0.942 19 T HN -0.572 7.630 8.240 0.009 0.044 0.439 20 R N 5.549 126.059 120.500 0.016 0.000 2.538 20 R HA 0.332 4.668 4.340 -0.005 0.000 0.292 20 R C -2.021 174.272 176.300 -0.011 0.000 1.008 20 R CA -1.484 54.620 56.100 0.008 0.000 0.896 20 R CB 3.314 33.637 30.300 0.037 0.000 1.187 20 R HN 0.185 8.770 8.270 0.026 -0.300 0.440 21 D N 4.030 124.401 120.400 -0.048 0.000 2.891 21 D HA 0.293 5.028 4.640 -0.065 -0.134 0.332 21 D C -0.721 175.484 176.300 -0.159 0.000 1.369 21 D CA 0.020 53.971 54.000 -0.081 0.000 0.827 21 D CB 1.749 42.504 40.800 -0.075 0.000 1.141 21 D HN 0.421 8.758 8.370 -0.055 0.000 0.464 22 D N 1.970 122.265 120.400 -0.175 0.000 2.178 22 D HA -0.242 4.144 4.640 -0.423 0.000 0.202 22 D C 1.633 177.514 176.300 -0.699 0.000 0.974 22 D CA 3.424 57.185 54.000 -0.399 0.000 0.841 22 D CB -0.077 40.557 40.800 -0.277 0.000 0.953 22 D HN -0.114 8.199 8.370 -0.096 0.000 0.478 23 L N -0.880 120.146 121.223 -0.328 0.000 2.044 23 L HA -0.295 3.831 4.340 -0.357 0.000 0.205 23 L C 0.889 177.601 176.870 -0.262 0.000 1.075 23 L CA 2.640 57.339 54.840 -0.235 0.000 0.747 23 L CB -0.231 41.863 42.059 0.059 0.000 0.903 23 L HN -0.805 7.464 8.230 -0.161 -0.136 0.435 24 I N -1.862 118.600 120.570 -0.181 0.000 2.226 24 I HA -0.590 3.523 4.170 -0.096 0.000 0.245 24 I C 2.377 178.385 176.117 -0.180 0.000 1.100 24 I CA 3.747 64.966 61.300 -0.134 0.000 1.374 24 I CB -0.202 37.742 38.000 -0.093 0.000 1.057 24 I HN -0.471 7.917 8.210 -0.156 -0.272 0.413 25 N N -2.407 116.142 118.700 -0.250 0.000 2.416 25 N HA -0.090 4.552 4.740 -0.163 0.000 0.177 25 N C 0.773 176.098 175.510 -0.309 0.000 1.036 25 N CA 0.687 53.597 53.050 -0.234 0.000 0.901 25 N CB 0.005 38.366 38.487 -0.209 0.000 0.976 25 N HN -0.355 7.858 8.380 -0.278 0.000 0.444 26 G N -0.664 107.795 108.800 -0.568 0.000 2.483 26 G HA2 -0.035 3.590 3.960 -0.558 0.000 0.248 26 G HA3 -0.035 3.055 3.960 -1.561 -0.067 0.248 26 G C -1.722 173.065 174.900 -0.189 0.000 1.248 26 G CA -0.558 44.107 45.100 -0.725 0.000 0.838 26 G HN -0.728 7.115 8.290 -0.656 0.053 0.566 27 N N 0.733 119.477 118.700 0.074 0.000 2.458 27 N HA 0.002 4.793 4.740 0.085 0.000 0.270 27 N C 1.110 176.785 175.510 0.275 0.000 1.102 27 N CA 0.782 53.922 53.050 0.150 0.000 0.967 27 N CB 1.350 39.912 38.487 0.125 0.000 1.078 27 N HN 0.266 8.710 8.380 0.106 0.000 0.471 28 S N 6.268 122.080 115.700 0.187 0.000 2.515 28 S HA -0.170 4.458 4.470 0.262 0.000 0.231 28 S C 1.137 175.809 174.600 0.119 0.000 0.987 28 S CA 1.867 60.177 58.200 0.184 0.000 0.936 28 S CB 0.187 63.460 63.200 0.121 0.000 0.766 28 S HN 0.642 9.031 8.310 0.131 0.000 0.528 29 A N 1.667 124.546 122.820 0.099 0.000 2.206 29 A HA 0.097 4.448 4.320 0.051 0.000 0.211 29 A C 0.113 177.736 177.584 0.065 0.000 1.158 29 A CA 1.201 53.278 52.037 0.066 0.000 0.761 29 A CB -0.332 18.699 19.000 0.052 0.000 0.801 29 A HN 0.092 8.277 8.150 0.102 0.025 0.473 30 S N -2.715 113.049 115.700 0.107 0.000 2.617 30 S HA 0.173 4.668 4.470 0.043 0.000 0.237 30 S C -0.314 174.324 174.600 0.064 0.000 1.142 30 S CA -1.011 57.245 58.200 0.094 0.000 1.167 30 S CB 0.036 63.308 63.200 0.120 0.000 1.068 30 S HN -0.520 7.704 8.310 0.154 0.179 0.470 31 c N 1.589 120.148 118.600 -0.068 0.000 2.665 31 c HA -0.177 3.941 4.570 -0.752 0.000 0.416 31 c C 1.144 174.858 174.090 -0.626 0.000 1.305 31 c CA 1.833 57.882 56.329 -0.466 0.000 1.903 31 c CB -0.546 41.776 42.510 -0.312 0.000 2.704 31 c HN -0.525 7.686 8.230 -0.032 0.000 0.629 32 A N 3.410 125.459 122.820 -1.285 0.000 2.406 32 A HA -0.047 3.918 4.320 -0.591 0.000 0.243 32 A C -0.496 176.758 177.584 -0.549 0.000 1.082 32 A CA -0.267 51.230 52.037 -0.900 0.000 0.786 32 A CB 1.020 19.245 19.000 -1.291 0.000 1.029 32 A HN 0.181 6.951 8.150 -2.301 0.000 0.495 33 D N -1.423 118.760 120.400 -0.362 0.000 2.234 33 D HA -0.008 4.486 4.640 -0.243 0.000 0.205 33 D C -0.390 175.732 176.300 -0.298 0.000 0.962 33 D CA 2.321 56.155 54.000 -0.278 0.000 0.855 33 D CB 0.878 41.546 40.800 -0.220 0.000 0.951 33 D HN -0.080 8.094 8.370 -0.327 0.000 0.500 34 V N -2.678 117.031 119.914 -0.341 0.000 2.638 34 V HA 0.705 4.891 4.120 -0.245 -0.213 0.306 34 V C -1.952 174.058 176.094 -0.141 0.000 1.052 34 V CA -1.821 60.297 62.300 -0.302 0.000 0.885 34 V CB 3.019 34.489 31.823 -0.589 0.000 0.999 34 V HN -0.712 7.224 8.190 -0.357 0.039 0.424 35 I N 5.194 125.763 120.570 -0.003 0.000 2.447 35 I HA 0.424 4.882 4.170 0.204 -0.166 0.287 35 I C -2.193 174.075 176.117 0.251 0.000 1.023 35 I CA -1.174 60.217 61.300 0.151 0.000 1.083 35 I CB 3.125 41.220 38.000 0.158 0.000 1.245 35 I HN 0.337 8.541 8.210 -0.010 0.000 0.434 36 F N 9.025 129.047 119.950 0.120 0.000 2.411 36 F HA 0.721 5.553 4.527 0.137 -0.223 0.352 36 F C -2.435 173.437 175.800 0.120 0.000 1.123 36 F CA -3.059 55.020 58.000 0.133 0.000 1.044 36 F CB 3.030 42.118 39.000 0.146 0.000 1.135 36 F HN 0.482 9.019 8.300 0.395 0.000 0.461 37 I N 8.242 128.625 120.570 -0.311 0.000 2.362 37 I HA 0.689 4.890 4.170 -0.333 -0.230 0.289 37 I C -2.317 173.459 176.117 -0.568 0.000 0.994 37 I CA -1.464 59.585 61.300 -0.417 0.000 1.158 37 I CB 1.971 39.675 38.000 -0.492 0.000 1.315 37 I HN 0.258 8.366 8.210 -0.169 0.000 0.451 38 Y N 9.338 129.283 120.300 -0.592 0.000 2.442 38 Y HA 0.622 5.122 4.550 -0.433 -0.210 0.344 38 Y C -2.905 172.891 175.900 -0.174 0.000 0.976 38 Y CA -2.195 55.632 58.100 -0.455 0.000 1.040 38 Y CB 4.684 42.838 38.460 -0.509 0.000 1.228 38 Y HN 0.153 8.262 8.280 -0.285 0.000 0.451 39 A N 6.731 129.060 122.820 -0.819 0.000 2.303 39 A HA 0.565 4.767 4.320 -0.197 0.000 0.320 39 A C -1.931 175.354 177.584 -0.498 0.000 1.192 39 A CA -1.965 49.795 52.037 -0.463 0.000 0.821 39 A CB 3.047 21.807 19.000 -0.400 0.000 1.188 39 A HN 0.446 7.990 8.150 -1.010 0.000 0.492 40 R N 3.090 123.609 120.500 0.031 0.000 2.652 40 R HA -0.006 4.490 4.340 0.260 0.000 0.271 40 R C -0.352 176.070 176.300 0.204 0.000 1.129 40 R CA -0.762 55.459 56.100 0.202 0.000 1.200 40 R CB 1.135 31.577 30.300 0.236 0.000 1.146 40 R HN 0.332 8.715 8.270 0.189 0.000 0.581 41 G N -2.559 106.364 108.800 0.204 0.000 2.580 41 G HA2 0.212 4.272 3.960 -0.069 0.000 0.278 41 G HA3 0.212 4.081 3.960 -0.153 0.000 0.278 41 G C -0.751 174.154 174.900 0.009 0.000 1.212 41 G CA -1.634 43.462 45.100 -0.007 0.000 0.939 41 G HN -0.036 8.765 8.290 0.328 -0.314 0.513 42 S N 0.318 116.000 115.700 -0.029 0.000 2.552 42 S HA -0.380 4.212 4.470 -0.042 -0.148 0.289 42 S C 0.359 174.952 174.600 -0.012 0.000 1.304 42 S CA 2.375 60.562 58.200 -0.021 0.000 1.063 42 S CB -0.061 63.137 63.200 -0.005 0.000 0.848 42 S HN -0.401 7.868 8.310 -0.069 0.000 0.499 43 T N 1.072 115.600 114.554 -0.042 0.000 6.885 43 T HA -0.403 3.920 4.350 -0.045 0.000 0.286 43 T C -0.654 174.040 174.700 -0.010 0.000 2.119 43 T CA 2.213 64.298 62.100 -0.026 0.000 3.358 43 T CB -1.049 67.819 68.868 -0.001 0.000 1.764 43 T HN 0.639 8.833 8.240 -0.077 0.000 1.202 44 E N 0.255 120.455 120.200 -0.001 0.000 2.349 44 E HA 0.081 4.456 4.350 0.041 0.000 0.262 44 E C -0.208 176.393 176.600 0.001 0.000 1.088 44 E CA -0.210 56.209 56.400 0.031 0.000 0.899 44 E CB 1.108 30.866 29.700 0.096 0.000 1.044 44 E HN -0.574 7.705 8.360 -0.015 0.072 0.420 45 T N -1.841 112.723 114.554 0.017 0.000 2.902 45 T HA 0.039 4.382 4.350 -0.011 0.000 0.280 45 T C 0.614 175.323 174.700 0.014 0.000 0.992 45 T CA -0.683 61.420 62.100 0.004 0.000 1.015 45 T CB 1.428 70.299 68.868 0.006 0.000 1.044 45 T HN 0.211 8.470 8.240 0.031 0.000 0.520 46 G N 2.849 111.651 108.800 0.003 0.000 2.564 46 G HA2 -0.433 3.529 3.960 0.003 0.000 0.273 46 G HA3 -0.433 3.710 3.960 0.019 -0.172 0.273 46 G C -0.510 174.402 174.900 0.020 0.000 1.242 46 G CA 1.201 46.307 45.100 0.011 0.000 0.951 46 G HN 0.197 8.484 8.290 -0.006 0.000 0.564 47 N N 0.234 118.961 118.700 0.045 0.000 2.171 47 N HA 0.091 4.872 4.740 0.069 0.000 0.212 47 N C -0.026 175.576 175.510 0.153 0.000 1.184 47 N CA 0.305 53.402 53.050 0.078 0.000 0.888 47 N CB 1.662 40.184 38.487 0.059 0.000 1.038 47 N HN -0.132 8.273 8.380 0.042 0.000 0.517 48 L N -2.362 118.951 121.223 0.150 0.000 2.749 48 L HA 0.250 4.819 4.340 0.381 0.000 0.242 48 L C -0.082 176.918 176.870 0.217 0.000 1.103 48 L CA -0.160 54.809 54.840 0.214 0.000 0.906 48 L CB 0.953 43.058 42.059 0.077 0.000 1.228 48 L HN -0.335 7.956 8.230 0.102 0.000 0.517 49 G N -1.319 107.567 108.800 0.143 0.000 2.574 49 G HA2 -0.464 3.644 3.960 0.091 0.000 0.282 49 G HA3 -0.464 3.799 3.960 0.181 -0.195 0.282 49 G C -0.687 174.250 174.900 0.062 0.000 1.257 49 G CA 0.939 46.113 45.100 0.124 0.000 0.956 49 G HN -0.423 7.934 8.290 0.112 0.000 0.560 50 T N -1.297 113.287 114.554 0.049 0.000 2.978 50 T HA -0.210 4.121 4.350 -0.031 0.000 0.262 50 T C 1.301 175.925 174.700 -0.126 0.000 1.063 50 T CA 2.686 64.764 62.100 -0.037 0.000 1.140 50 T CB 0.443 69.286 68.868 -0.042 0.000 0.886 50 T HN -0.306 8.357 8.240 0.103 -0.361 0.470 51 L N -1.120 119.994 121.223 -0.182 0.000 2.357 51 L HA 0.205 4.349 4.340 -0.326 0.000 0.211 51 L C 1.723 178.386 176.870 -0.345 0.000 1.075 51 L CA 0.898 55.537 54.840 -0.334 0.000 0.830 51 L CB -0.217 41.490 42.059 -0.587 0.000 0.996 51 L HN -0.384 7.787 8.230 -0.098 0.000 0.467 52 G N -0.406 108.152 108.800 -0.404 0.000 2.440 52 G HA2 -0.180 3.223 3.960 -0.930 0.000 0.218 52 G HA3 -0.180 3.474 3.960 -0.653 -0.085 0.218 52 G C -1.901 172.853 174.900 -0.242 0.000 1.154 52 G CA 3.185 47.921 45.100 -0.607 0.000 0.767 52 G HN -0.311 7.830 8.290 -0.249 0.000 0.552 53 P HA -0.157 4.235 4.420 -0.047 0.000 0.217 53 P C 1.503 178.756 177.300 -0.079 0.000 1.150 53 P CA 2.428 65.483 63.100 -0.074 0.000 0.832 53 P CB -0.110 31.558 31.700 -0.053 0.000 0.787 54 S N -2.151 113.482 115.700 -0.112 0.000 2.356 54 S HA -0.265 4.155 4.470 -0.082 0.000 0.223 54 S C 2.080 176.622 174.600 -0.096 0.000 1.032 54 S CA 3.999 62.137 58.200 -0.103 0.000 1.005 54 S CB -0.227 62.896 63.200 -0.128 0.000 0.867 54 S HN -0.797 7.414 8.310 -0.137 0.018 0.449 55 I N 1.977 122.477 120.570 -0.117 0.000 2.179 55 I HA -0.424 3.689 4.170 -0.094 0.000 0.242 55 I C 1.781 177.825 176.117 -0.121 0.000 1.088 55 I CA 3.997 65.231 61.300 -0.111 0.000 1.357 55 I CB -0.218 37.726 38.000 -0.093 0.000 1.051 55 I HN -0.860 7.260 8.210 -0.149 0.000 0.409 56 A N -1.080 121.702 122.820 -0.065 0.000 1.883 56 A HA -0.407 3.906 4.320 -0.011 0.000 0.217 56 A C 2.032 179.609 177.584 -0.012 0.000 1.186 56 A CA 3.418 55.451 52.037 -0.006 0.000 0.624 56 A CB -1.085 17.949 19.000 0.056 0.000 0.822 56 A HN -0.036 8.079 8.150 -0.058 0.000 0.444 57 S N -1.348 114.337 115.700 -0.025 0.000 2.370 57 S HA -0.327 4.139 4.470 -0.007 0.000 0.226 57 S C 1.788 176.366 174.600 -0.037 0.000 1.033 57 S CA 3.392 61.579 58.200 -0.023 0.000 1.011 57 S CB -0.180 63.003 63.200 -0.029 0.000 0.852 57 S HN -0.347 7.943 8.310 -0.034 0.000 0.457 58 N N 1.187 119.853 118.700 -0.057 0.000 2.270 58 N HA -0.201 4.496 4.740 -0.073 0.000 0.181 58 N C 2.586 178.037 175.510 -0.099 0.000 1.016 58 N CA 2.910 55.914 53.050 -0.076 0.000 0.870 58 N CB 0.048 38.491 38.487 -0.073 0.000 0.979 58 N HN -0.797 7.536 8.380 -0.061 0.010 0.431 59 L N -0.199 120.979 121.223 -0.076 0.000 2.056 59 L HA -0.372 3.918 4.340 -0.082 0.000 0.207 59 L C 1.750 178.642 176.870 0.037 0.000 1.078 59 L CA 3.571 58.401 54.840 -0.017 0.000 0.749 59 L CB -0.401 41.679 42.059 0.034 0.000 0.901 59 L HN -0.202 7.982 8.230 -0.078 0.000 0.433 60 E N -0.676 119.549 120.200 0.041 0.000 2.110 60 E HA -0.361 4.057 4.350 0.113 0.000 0.193 60 E C 2.809 179.409 176.600 -0.001 0.000 0.988 60 E CA 2.937 59.371 56.400 0.058 0.000 0.804 60 E CB -0.295 29.437 29.700 0.054 0.000 0.745 60 E HN -0.093 8.282 8.360 0.025 0.000 0.458 61 S N -0.694 114.976 115.700 -0.050 0.000 2.382 61 S HA -0.240 4.199 4.470 -0.051 0.000 0.228 61 S C 1.165 175.680 174.600 -0.142 0.000 1.027 61 S CA 2.740 60.894 58.200 -0.078 0.000 0.991 61 S CB -0.064 63.090 63.200 -0.077 0.000 0.823 61 S HN -0.503 7.778 8.310 -0.049 0.000 0.469 62 A N -0.239 122.417 122.820 -0.273 0.000 1.898 62 A HA -0.017 4.084 4.320 -0.363 0.000 0.214 62 A C 1.983 179.254 177.584 -0.523 0.000 1.183 62 A CA 2.442 54.175 52.037 -0.507 0.000 0.622 62 A CB 0.291 18.769 19.000 -0.870 0.000 0.824 62 A HN -0.626 7.365 8.150 -0.264 0.000 0.444 63 F N -5.216 114.723 119.950 -0.019 0.000 2.731 63 F HA 0.094 4.608 4.527 -0.021 0.000 0.298 63 F C -0.194 175.601 175.800 -0.009 0.000 1.106 63 F CA -1.016 56.973 58.000 -0.018 0.000 1.329 63 F CB 1.425 40.412 39.000 -0.022 0.000 1.100 63 F HN -0.533 7.623 8.300 -0.240 0.000 0.592 64 G N -0.925 107.941 108.800 0.111 0.000 2.705 64 G HA2 -0.354 3.660 3.960 0.054 0.000 0.686 64 G HA3 -0.354 3.655 3.960 0.082 0.000 0.686 64 G C -0.324 174.642 174.900 0.110 0.000 1.285 64 G CA -0.610 44.541 45.100 0.085 0.000 0.800 64 G HN -0.586 7.738 8.290 0.057 0.000 0.611 65 K N 0.512 120.965 120.400 0.089 0.000 2.147 65 K HA -0.260 4.130 4.320 0.117 0.000 0.205 65 K C 0.566 177.251 176.600 0.141 0.000 1.049 65 K CA 2.451 58.803 56.287 0.108 0.000 0.936 65 K CB -0.204 32.345 32.500 0.082 0.000 0.722 65 K HN 0.316 8.608 8.250 0.070 0.000 0.446 66 D N -4.375 116.094 120.400 0.114 0.000 2.349 66 D HA 0.024 4.773 4.640 0.181 0.000 0.215 66 D C 0.512 176.848 176.300 0.061 0.000 1.016 66 D CA 1.086 55.159 54.000 0.122 0.000 0.870 66 D CB 0.050 40.907 40.800 0.095 0.000 0.917 66 D HN 0.028 8.437 8.370 0.093 0.018 0.524 67 G N -1.866 106.970 108.800 0.060 0.000 2.838 67 G HA2 0.014 3.935 3.960 -0.065 0.000 0.210 67 G HA3 0.014 4.184 3.960 0.063 -0.173 0.210 67 G C -1.742 173.122 174.900 -0.061 0.000 1.153 67 G CA 0.263 45.363 45.100 0.001 0.000 0.778 67 G HN -0.546 7.635 8.290 0.098 0.168 0.539 68 V N -1.478 118.462 119.914 0.043 0.000 2.760 68 V HA 0.701 5.008 4.120 -0.069 -0.228 0.309 68 V C -1.928 174.323 176.094 0.262 0.000 1.077 68 V CA -2.528 59.811 62.300 0.065 0.000 0.910 68 V CB 2.361 34.288 31.823 0.174 0.000 1.008 68 V HN -0.886 7.372 8.190 0.113 0.000 0.424 69 W N 7.326 128.663 121.300 0.063 0.000 2.429 69 W HA 0.233 5.069 4.660 0.068 -0.135 0.314 69 W C -1.427 175.165 176.519 0.121 0.000 1.062 69 W CA -3.600 53.789 57.345 0.073 0.000 1.211 69 W CB 1.627 31.115 29.460 0.047 0.000 1.305 69 W HN 0.219 8.522 8.180 0.206 0.000 0.476 70 I N 2.646 123.410 120.570 0.323 0.000 2.321 70 I HA 0.314 4.824 4.170 0.369 -0.118 0.291 70 I C -1.562 174.646 176.117 0.150 0.000 0.998 70 I CA -2.329 59.138 61.300 0.277 0.000 1.227 70 I CB 0.049 38.194 38.000 0.241 0.000 1.368 70 I HN 0.392 9.103 8.210 0.280 -0.334 0.466 71 Q N 8.302 128.162 119.800 0.100 0.000 2.294 71 Q HA 0.490 4.985 4.340 0.008 -0.150 0.264 71 Q C -1.288 174.696 176.000 -0.026 0.000 0.992 71 Q CA -1.948 53.862 55.803 0.012 0.000 0.747 71 Q CB 3.412 32.143 28.738 -0.012 0.000 1.262 71 Q HN 0.451 8.788 8.270 0.111 0.000 0.452 72 G N 4.114 112.922 108.800 0.013 0.000 2.537 72 G HA2 0.386 4.562 3.960 0.059 0.000 0.273 72 G HA3 0.386 4.670 3.960 0.084 -0.273 0.273 72 G C -1.304 173.593 174.900 -0.005 0.000 1.189 72 G CA -1.173 43.952 45.100 0.041 0.000 0.881 72 G HN 0.128 8.432 8.290 0.023 0.000 0.535 73 V N 1.025 120.944 119.914 0.008 0.000 2.353 73 V HA 0.033 4.132 4.120 -0.035 0.000 0.264 73 V C -1.135 175.033 176.094 0.124 0.000 1.049 73 V CA -0.083 62.225 62.300 0.014 0.000 0.896 73 V CB -1.399 30.388 31.823 -0.060 0.000 1.025 73 V HN -0.270 7.937 8.190 0.028 0.000 0.475 74 G N 4.792 113.631 108.800 0.065 0.000 3.310 74 G HA2 0.210 4.207 3.960 0.062 0.000 0.176 74 G HA3 0.210 4.186 3.960 0.027 0.000 0.176 74 G C -0.614 174.319 174.900 0.056 0.000 1.307 74 G CA -1.096 44.037 45.100 0.055 0.000 0.935 74 G HN -0.480 7.826 8.290 0.027 0.000 0.628 75 G N 1.077 109.891 108.800 0.023 0.000 2.622 75 G HA2 -0.416 3.550 3.960 0.009 0.000 0.307 75 G HA3 -0.416 3.872 3.960 0.021 -0.315 0.307 75 G C 0.598 175.518 174.900 0.033 0.000 1.226 75 G CA 0.891 46.003 45.100 0.021 0.000 0.997 75 G HN -0.247 8.050 8.290 0.011 0.000 0.551 76 A N 3.282 126.130 122.820 0.047 0.000 2.168 76 A HA -0.062 4.279 4.320 0.036 0.000 0.215 76 A C 0.038 177.689 177.584 0.111 0.000 1.152 76 A CA 0.967 53.038 52.037 0.056 0.000 0.716 76 A CB 0.253 19.281 19.000 0.046 0.000 0.794 76 A HN -0.304 8.182 8.150 0.042 -0.311 0.465 77 Y N 0.062 120.347 120.300 -0.025 0.000 2.585 77 Y HA 0.016 4.552 4.550 -0.024 0.000 0.354 77 Y C -0.566 175.322 175.900 -0.020 0.000 1.024 77 Y CA -1.893 56.191 58.100 -0.026 0.000 1.321 77 Y CB -0.428 38.008 38.460 -0.039 0.000 1.151 77 Y HN -0.483 7.858 8.280 0.191 0.053 0.525 78 R N 8.032 128.405 120.500 -0.211 0.000 2.317 78 R HA -0.029 4.163 4.340 -0.247 0.000 0.208 78 R C -0.715 175.336 176.300 -0.415 0.000 0.914 78 R CA -1.280 54.661 56.100 -0.265 0.000 1.060 78 R CB 0.023 30.259 30.300 -0.107 0.000 1.015 78 R HN -0.124 8.121 8.270 -0.042 0.000 0.498 79 A N -2.287 120.083 122.820 -0.750 0.000 2.739 79 A HA -0.306 3.714 4.320 -0.500 0.000 0.296 79 A C -1.613 175.855 177.584 -0.192 0.000 1.488 79 A CA 0.534 52.223 52.037 -0.580 0.000 0.746 79 A CB -1.460 17.163 19.000 -0.628 0.000 1.047 79 A HN 0.076 7.610 8.150 -0.943 0.050 0.477 80 T N -1.353 113.144 114.554 -0.095 0.000 2.794 80 T HA 0.032 4.349 4.350 -0.055 0.000 0.296 80 T C 1.267 175.960 174.700 -0.012 0.000 0.949 80 T CA -0.243 61.831 62.100 -0.044 0.000 1.101 80 T CB 1.056 69.907 68.868 -0.029 0.000 0.905 80 T HN -0.306 7.888 8.240 -0.077 0.000 0.516 81 L N 10.070 131.286 121.223 -0.013 0.000 2.013 81 L HA -0.142 4.198 4.340 0.000 0.000 0.212 81 L C 1.643 178.514 176.870 0.001 0.000 1.073 81 L CA 3.069 57.907 54.840 -0.003 0.000 0.753 81 L CB -0.134 41.923 42.059 -0.003 0.000 0.890 81 L HN 0.516 8.735 8.230 -0.019 0.000 0.432 82 G N -4.559 104.242 108.800 0.000 0.000 2.470 82 G HA2 -0.359 3.600 3.960 -0.001 0.000 0.220 82 G HA3 -0.359 3.601 3.960 0.000 0.000 0.220 82 G C 0.963 175.867 174.900 0.007 0.000 1.121 82 G CA 1.800 46.901 45.100 0.001 0.000 0.766 82 G HN 0.324 8.613 8.290 -0.002 0.000 0.553 83 D N 1.456 121.866 120.400 0.017 0.000 2.348 83 D HA -0.089 4.563 4.640 0.020 0.000 0.216 83 D C 2.137 178.452 176.300 0.025 0.000 0.970 83 D CA 2.054 56.070 54.000 0.027 0.000 0.889 83 D CB -0.617 40.213 40.800 0.050 0.000 0.912 83 D HN -0.421 7.915 8.370 0.017 0.044 0.524 84 N N 0.293 119.004 118.700 0.017 0.000 2.272 84 N HA -0.268 4.664 4.740 0.013 -0.184 0.185 84 N C 1.238 176.746 175.510 -0.004 0.000 1.014 84 N CA 2.573 55.627 53.050 0.006 0.000 0.870 84 N CB -0.132 38.350 38.487 -0.008 0.000 0.975 84 N HN -0.442 7.901 8.380 0.016 0.047 0.433 85 A N -1.615 121.203 122.820 -0.004 0.000 2.208 85 A HA 0.047 4.359 4.320 -0.013 0.000 0.209 85 A C 0.203 177.784 177.584 -0.006 0.000 1.161 85 A CA -0.042 51.990 52.037 -0.008 0.000 0.782 85 A CB 0.068 19.063 19.000 -0.008 0.000 0.816 85 A HN -0.716 7.392 8.150 -0.001 0.042 0.477 86 L N -1.078 120.145 121.223 -0.000 0.000 2.476 86 L HA 0.048 4.388 4.340 -0.000 0.000 0.264 86 L C -0.607 176.261 176.870 -0.003 0.000 1.224 86 L CA -1.498 53.342 54.840 0.001 0.000 0.821 86 L CB -1.132 40.931 42.059 0.007 0.000 1.101 86 L HN -0.897 7.285 8.230 0.003 0.050 0.488 87 P HA -0.265 4.150 4.420 -0.009 0.000 0.217 87 P C 0.953 178.249 177.300 -0.008 0.000 1.162 87 P CA 2.935 66.031 63.100 -0.006 0.000 0.901 87 P CB 0.127 31.824 31.700 -0.005 0.000 0.793 88 R N -6.172 114.326 120.500 -0.004 0.000 2.334 88 R HA 0.017 4.354 4.340 -0.005 0.000 0.220 88 R C 0.373 176.672 176.300 -0.002 0.000 0.917 88 R CA -0.244 55.854 56.100 -0.003 0.000 1.073 88 R CB -0.230 30.069 30.300 -0.003 0.000 1.056 88 R HN 0.135 8.403 8.270 -0.002 0.000 0.506 89 G N -1.736 107.063 108.800 -0.003 0.000 2.159 89 G HA2 -0.289 3.868 3.960 -0.002 0.000 0.256 89 G HA3 -0.289 3.672 3.960 0.001 0.000 0.256 89 G C -1.719 173.189 174.900 0.014 0.000 0.977 89 G CA 0.343 45.444 45.100 0.002 0.000 0.652 89 G HN -0.047 8.053 8.290 -0.004 0.188 0.531 90 T N -2.680 111.882 114.554 0.013 0.000 2.693 90 T HA 0.155 4.725 4.350 0.053 -0.188 0.304 90 T C -2.170 172.544 174.700 0.024 0.000 1.471 90 T CA -1.189 60.928 62.100 0.028 0.000 0.993 90 T CB 1.860 70.724 68.868 -0.007 0.000 1.554 90 T HN -0.815 7.364 8.240 0.007 0.065 0.496 91 S N 0.920 116.645 115.700 0.042 0.000 2.617 91 S HA 0.251 4.736 4.470 0.025 0.000 0.269 91 S C 1.154 175.764 174.600 0.016 0.000 1.292 91 S CA -0.768 57.452 58.200 0.033 0.000 1.010 91 S CB 1.676 64.907 63.200 0.052 0.000 0.944 91 S HN 0.402 8.754 8.310 0.070 0.000 0.536 92 S N 3.605 119.313 115.700 0.012 0.000 2.382 92 S HA -0.371 4.099 4.470 0.001 0.000 0.228 92 S C 2.135 176.741 174.600 0.009 0.000 1.027 92 S CA 3.999 62.203 58.200 0.006 0.000 0.991 92 S CB -0.477 62.727 63.200 0.007 0.000 0.823 92 S HN 0.616 8.934 8.310 0.014 0.000 0.469 93 A N 0.626 123.458 122.820 0.020 0.000 1.930 93 A HA -0.133 4.198 4.320 0.018 0.000 0.217 93 A C 1.649 179.250 177.584 0.028 0.000 1.175 93 A CA 2.581 54.633 52.037 0.024 0.000 0.627 93 A CB -0.938 18.082 19.000 0.032 0.000 0.815 93 A HN 0.096 8.260 8.150 0.023 0.000 0.443 94 A N -1.222 121.620 122.820 0.037 0.000 1.898 94 A HA -0.336 4.017 4.320 0.055 0.000 0.216 94 A C 1.752 179.292 177.584 -0.074 0.000 1.181 94 A CA 2.874 54.916 52.037 0.009 0.000 0.620 94 A CB -0.429 18.582 19.000 0.018 0.000 0.819 94 A HN -0.614 7.550 8.150 0.045 0.014 0.442 95 I N -0.779 119.756 120.570 -0.058 0.000 2.208 95 I HA -0.490 3.635 4.170 -0.075 0.000 0.245 95 I C 1.883 177.987 176.117 -0.021 0.000 1.097 95 I CA 3.965 65.235 61.300 -0.050 0.000 1.363 95 I CB -0.258 37.724 38.000 -0.029 0.000 1.051 95 I HN -0.578 7.609 8.210 -0.039 0.000 0.413 96 R N -0.735 119.760 120.500 -0.008 0.000 2.096 96 R HA -0.449 3.897 4.340 0.010 0.000 0.235 96 R C 1.962 178.262 176.300 -0.000 0.000 1.127 96 R CA 3.894 59.996 56.100 0.003 0.000 0.968 96 R CB -0.302 30.003 30.300 0.007 0.000 0.861 96 R HN -0.432 7.834 8.270 -0.007 0.000 0.440 97 E N -0.384 119.810 120.200 -0.010 0.000 2.031 97 E HA -0.315 4.029 4.350 -0.010 0.000 0.193 97 E C 2.150 178.720 176.600 -0.051 0.000 0.994 97 E CA 2.832 59.221 56.400 -0.018 0.000 0.800 97 E CB -0.473 29.227 29.700 0.001 0.000 0.752 97 E HN -0.591 7.683 8.360 -0.009 0.081 0.447 98 M N 0.031 119.582 119.600 -0.081 0.000 2.132 98 M HA -0.334 4.024 4.480 -0.204 0.000 0.263 98 M C 2.047 178.327 176.300 -0.034 0.000 1.065 98 M CA 3.869 59.087 55.300 -0.136 0.000 1.122 98 M CB 0.034 32.534 32.600 -0.166 0.000 1.365 98 M HN -0.637 7.604 8.290 -0.082 0.000 0.411 99 L N -2.497 118.773 121.223 0.078 0.000 2.042 99 L HA -0.439 4.085 4.340 0.308 0.000 0.210 99 L C 2.237 179.174 176.870 0.113 0.000 1.076 99 L CA 2.865 57.802 54.840 0.161 0.000 0.749 99 L CB -0.520 41.590 42.059 0.086 0.000 0.893 99 L HN 0.064 8.319 8.230 0.041 0.000 0.432 100 G N -2.155 106.669 108.800 0.041 0.000 2.432 100 G HA2 -0.327 3.805 3.960 0.040 0.000 0.219 100 G HA3 -0.327 3.639 3.960 0.011 0.000 0.219 100 G C 1.111 176.017 174.900 0.010 0.000 1.135 100 G CA 1.944 47.060 45.100 0.026 0.000 0.767 100 G HN -0.321 7.982 8.290 0.023 0.000 0.550 101 L N 1.173 122.363 121.223 -0.055 0.000 2.056 101 L HA -0.338 3.964 4.340 -0.064 0.000 0.207 101 L C 2.040 178.862 176.870 -0.080 0.000 1.078 101 L CA 2.678 57.450 54.840 -0.113 0.000 0.749 101 L CB -0.226 41.693 42.059 -0.233 0.000 0.901 101 L HN -0.604 7.475 8.230 -0.077 0.105 0.433 102 F N -1.220 118.726 119.950 -0.006 0.000 2.126 102 F HA -0.489 4.043 4.527 0.008 0.000 0.299 102 F C 2.418 178.225 175.800 0.012 0.000 1.096 102 F CA 4.203 62.203 58.000 0.000 0.000 1.255 102 F CB -0.890 38.100 39.000 -0.016 0.000 0.997 102 F HN -0.506 7.746 8.300 -0.080 0.000 0.479 103 Q N -2.106 117.808 119.800 0.190 0.000 2.084 103 Q HA -0.480 3.927 4.340 0.112 0.000 0.202 103 Q C 2.519 178.571 176.000 0.088 0.000 0.978 103 Q CA 3.585 59.456 55.803 0.113 0.000 0.844 103 Q CB -0.276 28.510 28.738 0.080 0.000 0.898 103 Q HN -0.191 8.192 8.270 0.188 0.000 0.426 104 Q N -0.359 119.484 119.800 0.072 0.000 2.084 104 Q HA -0.330 4.046 4.340 0.058 0.000 0.202 104 Q C 2.523 178.577 176.000 0.091 0.000 0.978 104 Q CA 3.145 58.986 55.803 0.064 0.000 0.844 104 Q CB -0.050 28.711 28.738 0.039 0.000 0.898 104 Q HN -0.280 8.029 8.270 0.065 0.000 0.426 105 A N -1.077 121.808 122.820 0.108 0.000 1.883 105 A HA -0.352 4.063 4.320 0.159 0.000 0.217 105 A C 1.783 179.434 177.584 0.111 0.000 1.186 105 A CA 3.322 55.440 52.037 0.135 0.000 0.624 105 A CB -0.714 18.376 19.000 0.150 0.000 0.822 105 A HN -0.096 8.114 8.150 0.099 0.000 0.444 106 N N -3.184 115.579 118.700 0.106 0.000 2.166 106 N HA -0.295 4.485 4.740 0.067 0.000 0.186 106 N C 1.928 177.473 175.510 0.058 0.000 1.019 106 N CA 2.943 56.038 53.050 0.075 0.000 0.856 106 N CB 0.116 38.646 38.487 0.072 0.000 0.993 106 N HN -0.384 8.069 8.380 0.123 0.000 0.426 107 T N 0.594 115.186 114.554 0.063 0.000 2.894 107 T HA -0.150 4.226 4.350 0.043 0.000 0.258 107 T C 1.063 175.799 174.700 0.059 0.000 1.043 107 T CA 3.286 65.418 62.100 0.052 0.000 1.141 107 T CB 0.125 69.023 68.868 0.050 0.000 0.873 107 T HN -0.564 7.694 8.240 0.072 0.025 0.449 108 K N 1.447 121.896 120.400 0.082 0.000 2.062 108 K HA -0.101 4.273 4.320 0.090 0.000 0.205 108 K C -0.071 176.583 176.600 0.090 0.000 1.051 108 K CA 2.812 59.162 56.287 0.106 0.000 0.941 108 K CB 1.033 33.629 32.500 0.160 0.000 0.719 108 K HN -0.242 8.062 8.250 0.090 0.000 0.440 109 c N -1.566 117.076 118.600 0.070 0.000 3.335 109 c HA 0.593 5.160 4.570 -0.005 0.000 0.217 109 c C -1.909 172.179 174.090 -0.003 0.000 1.330 109 c CA -2.749 53.584 56.329 0.008 0.000 1.470 109 c CB -2.063 40.413 42.510 -0.057 0.000 1.806 109 c HN -0.373 7.906 8.230 0.081 0.000 0.468 110 P HA -0.053 4.506 4.420 0.014 -0.130 0.220 110 P C -0.264 177.029 177.300 -0.013 0.000 1.148 110 P CA 1.756 64.858 63.100 0.003 0.000 0.803 110 P CB 0.138 31.840 31.700 0.004 0.000 0.782 111 D N -3.385 116.996 120.400 -0.032 0.000 2.349 111 D HA 0.004 4.624 4.640 -0.034 0.000 0.214 111 D C -0.859 175.401 176.300 -0.066 0.000 1.063 111 D CA -0.205 53.769 54.000 -0.044 0.000 0.847 111 D CB -0.439 40.333 40.800 -0.047 0.000 0.933 111 D HN 0.170 8.473 8.370 -0.037 0.044 0.513 112 A N -0.004 122.770 122.820 -0.077 0.000 2.407 112 A HA -0.013 4.352 4.320 -0.136 -0.126 0.248 112 A C -0.076 177.469 177.584 -0.065 0.000 1.082 112 A CA 0.146 52.120 52.037 -0.104 0.000 0.785 112 A CB 0.572 19.498 19.000 -0.124 0.000 1.020 112 A HN -0.734 7.323 8.150 -0.066 0.053 0.489 113 T N 4.540 119.041 114.554 -0.087 0.000 2.817 113 T HA 0.077 4.411 4.350 -0.027 0.000 0.293 113 T C -0.641 174.050 174.700 -0.015 0.000 0.964 113 T CA 1.018 63.086 62.100 -0.054 0.000 1.085 113 T CB 0.787 69.601 68.868 -0.089 0.000 0.921 113 T HN -0.038 8.126 8.240 -0.126 0.000 0.502 114 L N 5.859 127.115 121.223 0.054 0.000 2.360 114 L HA 0.802 5.401 4.340 0.136 -0.177 0.271 114 L C -0.835 176.138 176.870 0.171 0.000 1.057 114 L CA -1.100 53.821 54.840 0.136 0.000 0.803 114 L CB 1.500 43.677 42.059 0.196 0.000 1.207 114 L HN -0.048 8.213 8.230 0.051 0.000 0.445 115 I N -7.182 113.547 120.570 0.266 0.000 2.994 115 I HA 0.959 5.437 4.170 0.298 -0.130 0.306 115 I C -2.132 174.267 176.117 0.469 0.000 1.195 115 I CA -2.172 59.340 61.300 0.354 0.000 1.001 115 I CB 4.407 42.608 38.000 0.335 0.000 1.244 115 I HN 0.258 8.639 8.210 0.285 0.000 0.437 116 A N -0.526 122.562 122.820 0.447 0.000 2.566 116 A HA 1.112 5.691 4.320 0.104 -0.196 0.292 116 A C -1.847 175.949 177.584 0.354 0.000 1.112 116 A CA -1.789 50.416 52.037 0.280 0.000 0.707 116 A CB 4.040 23.194 19.000 0.258 0.000 1.302 116 A HN 0.105 8.514 8.150 0.432 0.000 0.409 117 G N -3.350 105.551 108.800 0.168 0.000 2.576 117 G HA2 0.714 4.989 3.960 0.214 0.000 0.290 117 G HA3 0.714 5.026 3.960 0.587 0.000 0.290 117 G C -2.724 172.156 174.900 -0.034 0.000 1.442 117 G CA 0.025 45.292 45.100 0.278 0.000 0.792 117 G HN -0.181 8.089 8.290 -0.033 0.000 0.491 118 G N -3.086 105.727 108.800 0.021 0.000 2.632 118 G HA2 0.577 4.293 3.960 -0.712 0.000 0.292 118 G HA3 0.577 4.500 3.960 -0.214 -0.091 0.292 118 G C -3.552 171.476 174.900 0.213 0.000 1.465 118 G CA 0.324 45.300 45.100 -0.205 0.000 0.824 118 G HN -0.251 8.152 8.290 0.188 0.000 0.509 119 Y N 2.659 122.974 120.300 0.026 0.000 2.376 119 Y HA 0.808 5.669 4.550 0.217 -0.181 0.340 119 Y C -1.208 174.757 175.900 0.108 0.000 0.965 119 Y CA -3.445 54.739 58.100 0.141 0.000 1.078 119 Y CB 3.379 41.909 38.460 0.117 0.000 1.193 119 Y HN -0.333 7.972 8.280 0.042 0.000 0.452 120 S N 6.184 121.813 115.700 -0.119 0.000 4.064 120 S HA -0.566 4.156 4.470 0.082 -0.204 0.625 120 S C 0.627 175.223 174.600 -0.007 0.000 2.010 120 S CA 1.155 59.261 58.200 -0.158 0.000 4.186 120 S CB -0.635 62.209 63.200 -0.593 0.000 0.211 120 S HN 0.514 8.900 8.310 0.126 0.000 0.605 121 Q N 4.807 124.601 119.800 -0.011 0.000 2.152 121 Q HA -0.325 4.043 4.340 0.047 0.000 0.206 121 Q C 2.271 178.294 176.000 0.037 0.000 0.985 121 Q CA 2.885 58.720 55.803 0.053 0.000 0.863 121 Q CB -0.067 28.738 28.738 0.111 0.000 0.904 121 Q HN 0.520 8.762 8.270 -0.047 0.000 0.422 122 G N -2.955 105.865 108.800 0.033 0.000 2.448 122 G HA2 -0.278 3.568 3.960 -0.189 0.000 0.219 122 G HA3 -0.278 3.954 3.960 -0.074 -0.317 0.219 122 G C 0.321 175.156 174.900 -0.107 0.000 1.127 122 G CA 1.417 46.468 45.100 -0.082 0.000 0.766 122 G HN -0.050 8.249 8.290 0.043 0.016 0.552 123 A N 2.349 125.168 122.820 -0.002 0.000 1.898 123 A HA -0.324 3.958 4.320 -0.063 0.000 0.216 123 A C 1.338 178.961 177.584 0.064 0.000 1.181 123 A CA 2.749 54.794 52.037 0.014 0.000 0.620 123 A CB -0.618 18.449 19.000 0.112 0.000 0.819 123 A HN -0.487 7.463 8.150 0.033 0.220 0.442 124 A N -0.997 121.905 122.820 0.138 0.000 1.908 124 A HA -0.266 4.204 4.320 0.249 0.000 0.218 124 A C 1.736 179.330 177.584 0.016 0.000 1.181 124 A CA 2.926 55.041 52.037 0.130 0.000 0.627 124 A CB -0.718 18.328 19.000 0.076 0.000 0.818 124 A HN -0.603 7.624 8.150 0.128 0.000 0.445 125 L N -1.579 119.596 121.223 -0.080 0.000 2.046 125 L HA -0.393 3.864 4.340 -0.137 0.000 0.208 125 L C 1.594 178.385 176.870 -0.131 0.000 1.077 125 L CA 2.679 57.418 54.840 -0.169 0.000 0.747 125 L CB -0.503 41.317 42.059 -0.400 0.000 0.896 125 L HN -0.211 7.968 8.230 -0.085 0.000 0.432 126 A N -2.243 120.499 122.820 -0.131 0.000 1.883 126 A HA -0.357 3.932 4.320 -0.051 0.000 0.217 126 A C 2.126 179.661 177.584 -0.082 0.000 1.186 126 A CA 2.919 54.901 52.037 -0.091 0.000 0.624 126 A CB -0.822 18.108 19.000 -0.118 0.000 0.822 126 A HN -0.186 7.875 8.150 -0.147 0.000 0.444 127 A N -2.320 120.455 122.820 -0.075 0.000 1.902 127 A HA -0.311 3.944 4.320 -0.109 0.000 0.217 127 A C 1.937 179.507 177.584 -0.024 0.000 1.181 127 A CA 2.881 54.889 52.037 -0.047 0.000 0.623 127 A CB -0.675 18.376 19.000 0.084 0.000 0.818 127 A HN -0.270 7.844 8.150 -0.061 0.000 0.443 128 A N -1.533 121.282 122.820 -0.008 0.000 1.898 128 A HA -0.240 4.079 4.320 -0.002 0.000 0.216 128 A C 1.863 179.433 177.584 -0.023 0.000 1.181 128 A CA 2.674 54.704 52.037 -0.011 0.000 0.620 128 A CB -0.329 18.664 19.000 -0.013 0.000 0.819 128 A HN -0.093 8.054 8.150 -0.005 0.000 0.442 129 S N -0.735 114.952 115.700 -0.020 0.000 2.368 129 S HA -0.252 4.225 4.470 0.011 0.000 0.225 129 S C 2.089 176.659 174.600 -0.051 0.000 1.030 129 S CA 3.581 61.789 58.200 0.013 0.000 0.999 129 S CB -0.309 62.955 63.200 0.106 0.000 0.844 129 S HN -0.353 7.941 8.310 -0.026 0.000 0.459 130 I N 2.736 123.232 120.570 -0.123 0.000 2.286 130 I HA -0.475 3.477 4.170 -0.364 0.000 0.248 130 I C 1.397 177.424 176.117 -0.150 0.000 1.115 130 I CA 4.050 65.196 61.300 -0.257 0.000 1.392 130 I CB -0.380 37.387 38.000 -0.390 0.000 1.065 130 I HN -0.235 7.919 8.210 -0.094 0.000 0.418 131 E N 0.949 121.099 120.200 -0.083 0.000 2.085 131 E HA -0.402 4.067 4.350 -0.021 -0.132 0.194 131 E C 1.956 178.536 176.600 -0.034 0.000 0.994 131 E CA 2.980 59.360 56.400 -0.034 0.000 0.801 131 E CB -0.112 29.582 29.700 -0.010 0.000 0.743 131 E HN -0.516 7.798 8.360 -0.078 0.000 0.453 132 D N -2.316 118.062 120.400 -0.037 0.000 2.323 132 D HA -0.080 4.549 4.640 -0.018 0.000 0.209 132 D C 0.699 176.979 176.300 -0.033 0.000 0.973 132 D CA 0.969 54.955 54.000 -0.025 0.000 0.874 132 D CB 0.213 41.006 40.800 -0.013 0.000 0.930 132 D HN -0.649 7.677 8.370 -0.041 0.019 0.521 133 L N 1.113 122.297 121.223 -0.066 0.000 2.485 133 L HA -0.109 4.200 4.340 -0.052 0.000 0.275 133 L C -0.996 175.839 176.870 -0.059 0.000 1.207 133 L CA -0.369 54.421 54.840 -0.084 0.000 0.855 133 L CB 0.859 42.798 42.059 -0.200 0.000 1.114 133 L HN -0.749 7.377 8.230 -0.087 0.052 0.485 134 D N 2.638 123.015 120.400 -0.039 0.000 2.525 134 D HA -0.154 4.475 4.640 -0.019 0.000 0.235 134 D C 0.832 177.111 176.300 -0.036 0.000 1.137 134 D CA 0.633 54.618 54.000 -0.026 0.000 0.868 134 D CB 1.482 42.274 40.800 -0.013 0.000 1.180 134 D HN 0.015 8.367 8.370 -0.030 0.000 0.465 135 S N 7.106 122.792 115.700 -0.023 0.000 2.383 135 S HA -0.296 4.161 4.470 -0.022 0.000 0.229 135 S C 1.319 175.909 174.600 -0.017 0.000 1.030 135 S CA 2.828 61.017 58.200 -0.018 0.000 1.002 135 S CB -0.032 63.162 63.200 -0.009 0.000 0.829 135 S HN 0.372 8.672 8.310 -0.017 0.000 0.467 136 A N 0.587 123.398 122.820 -0.015 0.000 1.972 136 A HA -0.156 4.158 4.320 -0.009 0.000 0.219 136 A C 1.049 178.625 177.584 -0.013 0.000 1.169 136 A CA 2.344 54.375 52.037 -0.011 0.000 0.635 136 A CB -0.426 18.570 19.000 -0.005 0.000 0.810 136 A HN -0.655 7.709 8.150 -0.013 -0.222 0.446 137 I N -3.003 117.552 120.570 -0.025 0.000 2.400 137 I HA -0.302 3.860 4.170 -0.013 0.000 0.248 137 I C 2.036 178.103 176.117 -0.083 0.000 1.109 137 I CA 2.709 63.987 61.300 -0.038 0.000 1.425 137 I CB 0.158 38.138 38.000 -0.034 0.000 1.094 137 I HN -0.807 7.365 8.210 -0.028 0.021 0.425 138 R N 0.824 121.258 120.500 -0.109 0.000 2.103 138 R HA -0.414 3.792 4.340 -0.224 0.000 0.242 138 R C 2.328 178.639 176.300 0.018 0.000 1.142 138 R CA 3.833 59.870 56.100 -0.105 0.000 0.960 138 R CB -0.241 30.022 30.300 -0.062 0.000 0.858 138 R HN -0.221 7.992 8.270 -0.095 0.000 0.439 139 D N -2.392 118.016 120.400 0.013 0.000 2.350 139 D HA -0.077 4.582 4.640 0.033 0.000 0.216 139 D C 1.151 177.464 176.300 0.021 0.000 0.968 139 D CA 2.094 56.106 54.000 0.020 0.000 0.894 139 D CB -0.739 40.060 40.800 -0.002 0.000 0.909 139 D HN -0.260 8.087 8.370 -0.006 0.019 0.520 140 K N -1.403 119.008 120.400 0.019 0.000 2.426 140 K HA -0.012 4.318 4.320 0.017 0.000 0.193 140 K C -0.298 176.336 176.600 0.057 0.000 1.028 140 K CA 0.346 56.648 56.287 0.025 0.000 1.047 140 K CB 0.586 33.100 32.500 0.022 0.000 0.821 140 K HN -0.506 7.574 8.250 0.006 0.173 0.513 141 I N 0.133 120.757 120.570 0.090 0.000 2.294 141 I HA -0.010 4.427 4.170 0.142 -0.182 0.295 141 I C 0.587 176.828 176.117 0.207 0.000 1.098 141 I CA -0.244 61.147 61.300 0.152 0.000 1.277 141 I CB -0.967 37.095 38.000 0.103 0.000 1.434 141 I HN -0.558 7.639 8.210 0.083 0.063 0.498 142 A N 8.827 131.726 122.820 0.132 0.000 2.015 142 A HA -0.079 4.266 4.320 0.041 0.000 0.219 142 A C -1.151 176.490 177.584 0.094 0.000 1.163 142 A CA 1.465 53.544 52.037 0.070 0.000 0.646 142 A CB 0.513 19.521 19.000 0.013 0.000 0.806 142 A HN 0.449 8.669 8.150 0.116 0.000 0.448 143 G N -7.057 101.866 108.800 0.205 0.000 2.703 143 G HA2 0.271 4.643 3.960 0.357 0.000 0.294 143 G HA3 0.271 4.333 3.960 0.169 0.000 0.294 143 G C -2.818 172.319 174.900 0.395 0.000 1.451 143 G CA 0.076 45.353 45.100 0.295 0.000 0.869 143 G HN -0.888 7.505 8.290 0.223 0.031 0.516 144 T N 3.222 118.056 114.554 0.468 0.000 2.921 144 T HA 0.853 5.621 4.350 0.298 -0.239 0.297 144 T C -1.262 173.570 174.700 0.221 0.000 1.013 144 T CA -0.823 61.449 62.100 0.287 0.000 0.990 144 T CB 3.378 72.281 68.868 0.058 0.000 1.023 144 T HN 0.228 8.817 8.240 0.583 0.000 0.447 145 V N 2.815 122.837 119.914 0.179 0.000 2.513 145 V HA 0.966 5.208 4.120 -0.126 -0.198 0.299 145 V C -2.426 173.588 176.094 -0.133 0.000 1.035 145 V CA -2.963 59.332 62.300 -0.009 0.000 0.889 145 V CB 1.552 33.416 31.823 0.068 0.000 0.988 145 V HN 0.250 8.600 8.190 0.266 0.000 0.440 146 L N 3.966 125.011 121.223 -0.297 0.000 2.381 146 L HA 0.658 5.093 4.340 -0.135 -0.176 0.274 146 L C -1.273 175.446 176.870 -0.251 0.000 0.988 146 L CA -1.258 53.427 54.840 -0.259 0.000 0.824 146 L CB 2.705 44.500 42.059 -0.440 0.000 1.263 146 L HN 0.148 8.182 8.230 -0.327 0.000 0.410 147 F N 0.573 120.552 119.950 0.049 0.000 2.458 147 F HA 0.546 5.104 4.527 -0.212 -0.158 0.336 147 F C 0.867 176.571 175.800 -0.160 0.000 1.114 147 F CA -2.142 55.740 58.000 -0.195 0.000 0.987 147 F CB 2.025 40.812 39.000 -0.355 0.000 1.130 147 F HN 0.420 8.878 8.300 0.263 0.000 0.458 148 G N 3.385 112.088 108.800 -0.162 0.000 2.338 148 G HA2 -0.523 3.814 3.960 0.429 0.000 0.296 148 G HA3 -0.523 3.650 3.960 0.355 0.000 0.296 148 G C -1.280 173.834 174.900 0.358 0.000 1.040 148 G CA 0.561 45.824 45.100 0.272 0.000 1.004 148 G HN 0.612 8.681 8.290 -0.368 0.000 0.509 149 Y N 1.360 121.735 120.300 0.125 0.000 2.637 149 Y HA -0.055 4.535 4.550 0.066 0.000 0.350 149 Y C 0.262 176.202 175.900 0.067 0.000 1.069 149 Y CA -2.317 55.827 58.100 0.073 0.000 1.397 149 Y CB 0.119 38.598 38.460 0.032 0.000 1.163 149 Y HN -0.725 7.769 8.280 0.356 0.000 0.527 150 T N 5.530 120.142 114.554 0.097 0.000 3.072 150 T HA -0.185 4.301 4.350 -0.035 -0.156 0.266 150 T C 0.001 174.566 174.700 -0.225 0.000 1.127 150 T CA 1.726 63.796 62.100 -0.050 0.000 1.107 150 T CB 0.003 68.867 68.868 -0.008 0.000 0.910 150 T HN -0.147 8.223 8.240 0.217 0.000 0.513 151 K N -2.102 117.971 120.400 -0.544 0.000 2.498 151 K HA 0.366 4.645 4.320 -0.359 -0.174 0.207 151 K C 0.084 176.138 176.600 -0.910 0.000 1.033 151 K CA -1.864 54.055 56.287 -0.613 0.000 1.138 151 K CB -1.133 31.136 32.500 -0.385 0.000 0.860 151 K HN -0.303 7.484 8.250 -0.695 0.046 0.490 152 N N 2.057 120.215 118.700 -0.903 0.000 2.043 152 N HA -0.367 4.034 4.740 -0.565 0.000 0.193 152 N C 1.019 176.404 175.510 -0.209 0.000 1.037 152 N CA 3.892 56.651 53.050 -0.486 0.000 0.851 152 N CB -0.219 38.198 38.487 -0.117 0.000 1.027 152 N HN -0.520 7.345 8.380 -0.739 0.073 0.422 153 L N -0.941 120.188 121.223 -0.156 0.000 2.027 153 L HA -0.366 3.941 4.340 -0.055 0.000 0.206 153 L C 1.935 178.754 176.870 -0.085 0.000 1.074 153 L CA 3.227 58.017 54.840 -0.084 0.000 0.745 153 L CB -0.237 41.785 42.059 -0.061 0.000 0.898 153 L HN 0.129 8.258 8.230 -0.169 0.000 0.433 154 Q N -2.961 116.769 119.800 -0.116 0.000 2.124 154 Q HA -0.337 3.965 4.340 -0.062 0.000 0.202 154 Q C 1.202 177.162 176.000 -0.067 0.000 0.977 154 Q CA 3.150 58.901 55.803 -0.087 0.000 0.850 154 Q CB -0.361 28.320 28.738 -0.096 0.000 0.901 154 Q HN 0.137 8.317 8.270 -0.151 0.000 0.429 155 N N -3.781 114.866 118.700 -0.088 0.000 2.270 155 N HA 0.114 4.852 4.740 -0.003 0.000 0.198 155 N C -0.918 174.602 175.510 0.017 0.000 1.117 155 N CA -0.753 52.286 53.050 -0.017 0.000 0.845 155 N CB 0.605 39.109 38.487 0.028 0.000 0.980 155 N HN -0.326 7.962 8.380 -0.154 0.000 0.486 156 R N -3.751 116.745 120.500 -0.006 0.000 3.525 156 R HA -0.372 3.969 4.340 0.002 0.000 0.276 156 R C 0.020 176.347 176.300 0.045 0.000 1.116 156 R CA 0.569 56.677 56.100 0.013 0.000 0.745 156 R CB -3.157 27.151 30.300 0.012 0.000 1.185 156 R HN -0.318 7.746 8.270 -0.034 0.186 0.454 157 G N -4.790 104.060 108.800 0.082 0.000 2.143 157 G HA2 -0.389 3.888 3.960 0.212 0.000 0.249 157 G HA3 -0.389 3.625 3.960 0.089 0.000 0.249 157 G C -0.512 174.493 174.900 0.174 0.000 0.981 157 G CA 0.174 45.361 45.100 0.146 0.000 0.665 157 G HN 0.223 8.517 8.290 0.056 0.030 0.528 158 R N -1.398 119.215 120.500 0.189 0.000 2.902 158 R HA 0.381 4.790 4.340 0.115 0.000 0.258 158 R C -1.542 174.877 176.300 0.198 0.000 1.071 158 R CA -2.716 53.474 56.100 0.149 0.000 1.024 158 R CB 2.485 32.843 30.300 0.098 0.000 1.184 158 R HN -0.613 7.720 8.270 0.183 0.047 0.492 159 I N 2.122 122.777 120.570 0.141 0.000 2.321 159 I HA 0.476 4.723 4.170 0.128 0.000 0.291 159 I C -1.789 174.400 176.117 0.121 0.000 0.998 159 I CA -2.851 58.516 61.300 0.111 0.000 1.227 159 I CB 1.003 39.015 38.000 0.020 0.000 1.368 159 I HN 0.531 8.829 8.210 0.145 0.000 0.466 160 P HA -0.014 4.447 4.420 0.069 0.000 0.264 160 P C -1.082 176.264 177.300 0.077 0.000 1.183 160 P CA 0.965 64.108 63.100 0.070 0.000 0.763 160 P CB 0.351 32.079 31.700 0.046 0.000 0.807 161 N N -4.006 114.737 118.700 0.073 0.000 2.878 161 N HA -0.442 4.327 4.740 0.049 0.000 0.247 161 N C -1.780 173.810 175.510 0.133 0.000 1.021 161 N CA 1.566 54.659 53.050 0.072 0.000 0.873 161 N CB -1.514 37.001 38.487 0.047 0.000 1.128 161 N HN 0.443 8.861 8.380 0.062 0.000 0.571 162 Y N 0.067 120.356 120.300 -0.018 0.000 2.442 162 Y HA 0.390 4.924 4.550 -0.027 0.000 0.344 162 Y C -2.420 173.475 175.900 -0.008 0.000 0.976 162 Y CA -2.517 55.570 58.100 -0.021 0.000 1.040 162 Y CB 2.596 41.038 38.460 -0.030 0.000 1.228 162 Y HN -0.813 7.529 8.280 0.184 0.048 0.451 163 P HA 0.071 4.404 4.420 -0.144 0.000 0.271 163 P C -0.515 176.671 177.300 -0.190 0.000 1.218 163 P CA -0.521 62.419 63.100 -0.266 0.000 0.780 163 P CB 0.803 32.328 31.700 -0.293 0.000 0.901 164 A N 3.578 126.355 122.820 -0.071 0.000 1.972 164 A HA -0.258 4.066 4.320 0.007 0.000 0.219 164 A C 1.835 179.414 177.584 -0.007 0.000 1.169 164 A CA 2.751 54.776 52.037 -0.019 0.000 0.635 164 A CB -0.763 18.230 19.000 -0.010 0.000 0.810 164 A HN 0.410 8.522 8.150 -0.062 0.000 0.446 165 D N -5.419 114.965 120.400 -0.026 0.000 2.264 165 D HA -0.228 4.445 4.640 0.054 0.000 0.208 165 D C 0.438 176.791 176.300 0.089 0.000 0.966 165 D CA 1.836 55.849 54.000 0.022 0.000 0.864 165 D CB -0.937 39.856 40.800 -0.011 0.000 0.933 165 D HN 0.376 8.690 8.370 -0.057 0.022 0.499 166 R N -3.225 117.281 120.500 0.011 0.000 2.334 166 R HA 0.179 4.608 4.340 0.148 0.000 0.216 166 R C -1.309 175.228 176.300 0.394 0.000 0.905 166 R CA -0.124 56.036 56.100 0.100 0.000 1.064 166 R CB 0.879 31.048 30.300 -0.218 0.000 1.046 166 R HN -0.800 7.367 8.270 -0.099 0.043 0.508 167 T N 1.092 115.813 114.554 0.278 0.000 2.823 167 T HA 0.498 5.148 4.350 0.248 -0.150 0.279 167 T C -1.055 173.534 174.700 -0.186 0.000 0.998 167 T CA -0.101 62.093 62.100 0.157 0.000 0.994 167 T CB 1.744 70.678 68.868 0.110 0.000 0.960 167 T HN -0.638 7.532 8.240 0.182 0.179 0.448 168 K N 7.422 127.534 120.400 -0.480 0.000 2.507 168 K HA 0.336 4.236 4.320 -0.701 0.000 0.252 168 K C -2.436 173.767 176.600 -0.662 0.000 0.943 168 K CA -1.320 54.468 56.287 -0.831 0.000 0.808 168 K CB 2.785 34.359 32.500 -1.544 0.000 1.142 168 K HN 0.424 8.481 8.250 -0.322 0.000 0.426 169 V N 5.634 125.196 119.914 -0.587 0.000 2.435 169 V HA 0.412 4.469 4.120 -0.372 -0.160 0.290 169 V C -0.297 175.458 176.094 -0.566 0.000 1.030 169 V CA -1.097 60.952 62.300 -0.420 0.000 0.881 169 V CB 0.862 32.594 31.823 -0.150 0.000 0.983 169 V HN 0.301 8.169 8.190 -0.537 0.000 0.445 170 F N 7.209 127.066 119.950 -0.155 0.000 2.347 170 F HA 0.163 4.728 4.527 0.064 0.000 0.366 170 F C -2.013 173.885 175.800 0.163 0.000 1.107 170 F CA -0.889 57.122 58.000 0.018 0.000 1.058 170 F CB 0.790 39.809 39.000 0.032 0.000 1.236 170 F HN 0.689 8.919 8.300 -0.117 0.000 0.456 171 c N 5.991 124.816 118.600 0.375 0.000 2.407 171 c HA 0.460 5.348 4.570 0.530 0.000 0.328 171 c C -0.863 173.452 174.090 0.374 0.000 1.137 171 c CA -1.373 55.197 56.329 0.401 0.000 1.390 171 c CB 0.906 43.562 42.510 0.242 0.000 1.989 171 c HN 0.548 8.950 8.230 0.287 0.000 0.432 172 N N 6.668 125.629 118.700 0.434 0.000 2.508 172 N HA 0.085 4.934 4.740 0.182 0.000 0.264 172 N C -0.115 175.484 175.510 0.148 0.000 1.216 172 N CA 0.250 53.419 53.050 0.198 0.000 0.943 172 N CB 1.234 39.723 38.487 0.004 0.000 1.113 172 N HN 0.259 9.022 8.380 0.638 0.000 0.447 173 T N 2.645 117.256 114.554 0.096 0.000 2.902 173 T HA -0.205 4.192 4.350 0.078 0.000 0.301 173 T C 0.996 175.734 174.700 0.063 0.000 1.012 173 T CA 2.668 64.812 62.100 0.072 0.000 1.151 173 T CB 0.170 69.069 68.868 0.052 0.000 0.946 173 T HN 0.183 8.476 8.240 0.088 0.000 0.542 174 G N 6.245 115.084 108.800 0.064 0.000 2.179 174 G HA2 -0.391 3.598 3.960 0.049 0.000 0.260 174 G HA3 -0.391 3.597 3.960 0.047 0.000 0.260 174 G C -1.114 173.833 174.900 0.079 0.000 0.977 174 G CA -0.121 45.013 45.100 0.057 0.000 0.641 174 G HN 0.304 8.632 8.290 0.063 0.000 0.533 175 D N 1.708 122.180 120.400 0.121 0.000 2.402 175 D HA 0.101 4.842 4.640 0.168 0.000 0.235 175 D C 0.594 176.968 176.300 0.123 0.000 1.226 175 D CA -1.485 52.622 54.000 0.179 0.000 0.918 175 D CB -0.571 40.430 40.800 0.335 0.000 1.043 175 D HN -0.432 7.938 8.370 0.126 0.076 0.506 176 L N 5.751 127.011 121.223 0.062 0.000 2.265 176 L HA -0.214 4.144 4.340 0.030 0.000 0.215 176 L C 1.719 178.588 176.870 -0.001 0.000 1.117 176 L CA 1.803 56.656 54.840 0.022 0.000 0.782 176 L CB -0.264 41.796 42.059 0.001 0.000 0.914 176 L HN 0.140 8.405 8.230 0.058 0.000 0.441 177 V N -3.693 116.208 119.914 -0.022 0.000 2.913 177 V HA -0.026 4.311 4.120 -0.063 -0.254 0.260 177 V C 1.381 177.477 176.094 0.004 0.000 1.098 177 V CA 2.200 64.472 62.300 -0.045 0.000 1.121 177 V CB -1.140 30.606 31.823 -0.127 0.000 0.714 177 V HN -0.534 7.810 8.190 -0.024 -0.168 0.487 178 c N -2.181 116.458 118.600 0.065 0.000 2.539 178 c HA 0.133 4.874 4.570 0.039 -0.148 0.268 178 c C 0.158 174.259 174.090 0.017 0.000 1.395 178 c CA 0.668 57.036 56.329 0.064 0.000 1.757 178 c CB -0.898 41.698 42.510 0.142 0.000 1.851 178 c HN -0.461 7.781 8.230 0.094 0.044 0.545 179 T N -4.692 109.868 114.554 0.010 0.000 3.228 179 T HA 0.150 4.497 4.350 -0.004 0.000 0.278 179 T C 1.004 175.694 174.700 -0.018 0.000 1.014 179 T CA -1.072 61.027 62.100 -0.000 0.000 0.904 179 T CB 0.430 69.307 68.868 0.014 0.000 1.110 179 T HN -0.670 7.414 8.240 0.015 0.166 0.541 180 G N 0.999 109.777 108.800 -0.035 0.000 2.176 180 G HA2 -0.331 3.594 3.960 -0.058 0.000 0.232 180 G HA3 -0.331 3.607 3.960 -0.037 0.000 0.232 180 G C -0.325 174.552 174.900 -0.039 0.000 0.986 180 G CA 0.265 45.339 45.100 -0.044 0.000 0.643 180 G HN -0.535 7.668 8.290 -0.040 0.063 0.522 181 S N 0.279 115.958 115.700 -0.036 0.000 2.745 181 S HA 0.355 4.805 4.470 -0.033 0.000 0.292 181 S C -0.546 174.022 174.600 -0.053 0.000 1.133 181 S CA -1.325 56.853 58.200 -0.037 0.000 0.998 181 S CB 2.156 65.340 63.200 -0.028 0.000 1.087 181 S HN -0.556 7.734 8.310 -0.033 0.000 0.551 182 L N 0.567 121.758 121.223 -0.052 0.000 2.857 182 L HA 0.208 4.496 4.340 -0.086 0.000 0.249 182 L C -1.040 175.787 176.870 -0.072 0.000 1.172 182 L CA -0.590 54.210 54.840 -0.067 0.000 0.980 182 L CB 0.240 42.268 42.059 -0.051 0.000 1.299 182 L HN 0.425 8.630 8.230 -0.042 0.000 0.535 183 I N 1.110 121.643 120.570 -0.061 0.000 2.474 183 I HA -0.089 4.057 4.170 -0.041 0.000 0.287 183 I C -0.552 175.521 176.117 -0.073 0.000 1.048 183 I CA 0.111 61.382 61.300 -0.049 0.000 1.383 183 I CB 0.788 38.773 38.000 -0.025 0.000 1.412 183 I HN -0.818 7.360 8.210 -0.053 0.000 0.531 184 V N 6.966 126.848 119.914 -0.053 0.000 2.348 184 V HA 0.023 4.080 4.120 -0.105 0.000 0.270 184 V C -0.641 175.472 176.094 0.031 0.000 1.037 184 V CA -0.399 61.879 62.300 -0.036 0.000 0.872 184 V CB -0.517 31.312 31.823 0.011 0.000 1.002 184 V HN 0.172 8.342 8.190 -0.034 0.000 0.464 185 A N 8.921 131.778 122.820 0.061 0.000 2.346 185 A HA 0.349 4.702 4.320 0.055 0.000 0.313 185 A C -0.438 177.210 177.584 0.107 0.000 1.140 185 A CA -1.302 50.777 52.037 0.069 0.000 0.826 185 A CB 2.339 21.370 19.000 0.051 0.000 1.332 185 A HN 0.022 8.209 8.150 0.062 0.000 0.457 186 A N -0.870 121.992 122.820 0.071 0.000 1.917 186 A HA -0.170 4.191 4.320 0.068 0.000 0.219 186 A C -0.515 177.101 177.584 0.054 0.000 1.182 186 A CA 4.010 56.083 52.037 0.059 0.000 0.633 186 A CB -2.323 16.695 19.000 0.029 0.000 0.819 186 A HN 0.697 8.880 8.150 0.055 0.000 0.448 187 P HA -0.181 4.199 4.420 -0.066 0.000 0.222 187 P C 1.221 178.524 177.300 0.005 0.000 1.147 187 P CA 2.232 65.328 63.100 -0.006 0.000 0.790 187 P CB -0.361 31.351 31.700 0.019 0.000 0.780 188 H N -0.856 118.262 119.070 0.080 0.000 2.491 188 H HA -0.125 4.866 4.556 0.434 -0.174 0.290 188 H C 0.797 176.322 175.328 0.329 0.000 1.050 188 H CA 2.201 58.416 56.048 0.278 0.000 1.309 188 H CB 0.020 29.933 29.762 0.252 0.000 1.392 188 H HN -0.286 8.112 8.280 0.264 0.040 0.554 189 L N -5.112 116.188 121.223 0.128 0.000 2.700 189 L HA 0.358 4.771 4.340 0.122 0.000 0.234 189 L C -0.256 176.571 176.870 -0.072 0.000 1.156 189 L CA -0.799 54.082 54.840 0.068 0.000 0.946 189 L CB -0.380 41.733 42.059 0.090 0.000 1.216 189 L HN -0.646 7.603 8.230 0.119 0.053 0.493 190 A N -1.690 120.989 122.820 -0.235 0.000 2.793 190 A HA 0.282 4.492 4.320 -0.184 0.000 0.301 190 A C -0.147 177.182 177.584 -0.426 0.000 1.172 190 A CA -0.048 51.817 52.037 -0.287 0.000 0.973 190 A CB 0.244 19.101 19.000 -0.238 0.000 1.164 190 A HN -0.810 7.064 8.150 -0.323 0.082 0.542 191 Y N -2.178 118.028 120.300 -0.156 0.000 2.457 191 Y HA 0.076 4.574 4.550 -0.086 0.000 0.263 191 Y C 1.440 177.165 175.900 -0.290 0.000 1.164 191 Y CA -1.019 56.959 58.100 -0.202 0.000 1.274 191 Y CB -0.398 37.889 38.460 -0.288 0.000 1.097 191 Y HN -0.177 7.983 8.280 -0.200 0.000 0.523 192 G N 1.153 109.859 108.800 -0.157 0.000 2.491 192 G HA2 -0.333 3.498 3.960 -0.215 0.000 0.218 192 G HA3 -0.333 3.543 3.960 -0.141 0.000 0.218 192 G C -1.224 173.600 174.900 -0.127 0.000 1.180 192 G CA 2.406 47.407 45.100 -0.165 0.000 0.774 192 G HN 0.638 8.777 8.290 -0.157 0.057 0.562 193 P HA -0.140 4.245 4.420 -0.058 0.000 0.217 193 P C 1.025 178.290 177.300 -0.059 0.000 1.150 193 P CA 2.506 65.571 63.100 -0.058 0.000 0.832 193 P CB -0.322 31.357 31.700 -0.034 0.000 0.787 194 D N -2.283 118.076 120.400 -0.067 0.000 2.117 194 D HA -0.262 4.289 4.640 -0.148 0.000 0.197 194 D C 1.787 178.003 176.300 -0.140 0.000 0.987 194 D CA 3.232 57.133 54.000 -0.164 0.000 0.829 194 D CB -0.738 39.899 40.800 -0.272 0.000 0.961 194 D HN -0.677 7.653 8.370 -0.045 0.014 0.460 195 A N -0.974 121.762 122.820 -0.140 0.000 2.015 195 A HA -0.242 4.077 4.320 -0.001 0.000 0.219 195 A C 1.719 179.249 177.584 -0.090 0.000 1.163 195 A CA 2.720 54.669 52.037 -0.147 0.000 0.646 195 A CB -0.475 18.292 19.000 -0.389 0.000 0.806 195 A HN -0.323 7.716 8.150 -0.186 0.000 0.448 196 R N -4.828 115.619 120.500 -0.088 0.000 2.161 196 R HA -0.204 4.096 4.340 -0.067 0.000 0.213 196 R C 1.095 177.374 176.300 -0.036 0.000 1.055 196 R CA 2.190 58.253 56.100 -0.063 0.000 0.996 196 R CB 0.506 30.769 30.300 -0.061 0.000 0.901 196 R HN -0.570 7.518 8.270 -0.099 0.123 0.456 197 G N -2.197 106.590 108.800 -0.022 0.000 2.443 197 G HA2 0.447 4.409 3.960 0.004 0.000 0.188 197 G HA3 0.447 4.414 3.960 0.011 0.000 0.188 197 G C -2.048 172.880 174.900 0.047 0.000 1.654 197 G CA 0.352 45.456 45.100 0.008 0.000 0.685 197 G HN -0.504 7.766 8.290 -0.034 0.000 0.694 198 P HA -0.079 4.449 4.420 0.180 0.000 0.218 198 P C 1.092 178.549 177.300 0.263 0.000 1.149 198 P CA 1.715 64.927 63.100 0.186 0.000 0.817 198 P CB -0.117 31.754 31.700 0.285 0.000 0.785 199 A N -1.625 121.263 122.820 0.113 0.000 1.845 199 A HA -0.104 4.456 4.320 0.400 0.000 0.215 199 A C -0.947 176.774 177.584 0.227 0.000 1.195 199 A CA 4.757 56.921 52.037 0.211 0.000 0.616 199 A CB -2.665 16.406 19.000 0.120 0.000 0.832 199 A HN 0.169 8.295 8.150 -0.040 0.000 0.443 200 P HA -0.248 4.190 4.420 0.032 0.000 0.217 200 P C 1.608 178.955 177.300 0.078 0.000 1.150 200 P CA 2.628 65.758 63.100 0.051 0.000 0.832 200 P CB -0.645 31.042 31.700 -0.021 0.000 0.787 201 E N -0.712 119.550 120.200 0.104 0.000 2.070 201 E HA -0.392 3.984 4.350 0.043 0.000 0.197 201 E C 1.950 178.639 176.600 0.147 0.000 1.004 201 E CA 3.213 59.673 56.400 0.100 0.000 0.805 201 E CB -0.224 29.543 29.700 0.111 0.000 0.744 201 E HN -0.398 8.026 8.360 0.105 0.000 0.451 202 F N 0.352 120.353 119.950 0.086 0.000 2.102 202 F HA -0.284 4.285 4.527 0.070 0.000 0.298 202 F C 1.764 177.614 175.800 0.083 0.000 1.105 202 F CA 3.380 61.432 58.000 0.087 0.000 1.239 202 F CB 0.214 39.285 39.000 0.118 0.000 0.991 202 F HN -0.521 8.009 8.300 0.384 0.000 0.474 203 L N -1.508 119.816 121.223 0.168 0.000 2.046 203 L HA -0.484 3.852 4.340 -0.006 0.000 0.208 203 L C 2.160 179.047 176.870 0.028 0.000 1.077 203 L CA 3.423 58.300 54.840 0.061 0.000 0.747 203 L CB -0.316 41.812 42.059 0.114 0.000 0.896 203 L HN -0.522 7.889 8.230 0.302 0.000 0.432 204 I N -1.512 119.092 120.570 0.057 0.000 2.179 204 I HA -0.628 3.706 4.170 0.274 0.000 0.242 204 I C 1.700 177.840 176.117 0.039 0.000 1.088 204 I CA 4.515 65.868 61.300 0.088 0.000 1.357 204 I CB -0.350 37.609 38.000 -0.068 0.000 1.051 204 I HN -0.028 8.211 8.210 0.049 0.000 0.409 205 E N 0.244 120.416 120.200 -0.046 0.000 2.085 205 E HA -0.428 3.897 4.350 -0.042 0.000 0.194 205 E C 2.446 178.971 176.600 -0.126 0.000 0.994 205 E CA 3.566 59.918 56.400 -0.080 0.000 0.801 205 E CB -0.198 29.445 29.700 -0.094 0.000 0.743 205 E HN -0.439 7.893 8.360 -0.046 0.000 0.453 206 K N -2.150 118.105 120.400 -0.241 0.000 2.155 206 K HA -0.186 4.000 4.320 -0.223 0.000 0.203 206 K C 2.701 179.243 176.600 -0.097 0.000 1.052 206 K CA 1.799 57.943 56.287 -0.238 0.000 0.948 206 K CB -0.491 31.763 32.500 -0.410 0.000 0.728 206 K HN -0.425 7.640 8.250 -0.308 0.000 0.448 207 V N 0.070 119.966 119.914 -0.029 0.000 2.307 207 V HA -0.424 3.677 4.120 -0.031 0.000 0.245 207 V C 1.712 177.820 176.094 0.023 0.000 1.045 207 V CA 3.655 65.957 62.300 0.003 0.000 1.024 207 V CB -0.587 31.253 31.823 0.029 0.000 0.651 207 V HN -0.235 7.946 8.190 -0.015 0.000 0.449 208 R N -1.077 119.462 120.500 0.065 0.000 2.152 208 R HA -0.250 4.260 4.340 0.066 -0.130 0.232 208 R C 2.809 179.111 176.300 0.004 0.000 1.117 208 R CA 3.236 59.366 56.100 0.049 0.000 0.981 208 R CB -0.428 29.903 30.300 0.052 0.000 0.870 208 R HN -0.099 8.222 8.270 0.084 0.000 0.451 209 A N -0.273 122.534 122.820 -0.022 0.000 1.940 209 A HA -0.191 4.114 4.320 -0.026 0.000 0.219 209 A C 1.256 178.823 177.584 -0.028 0.000 1.176 209 A CA 2.947 54.964 52.037 -0.033 0.000 0.631 209 A CB -0.393 18.574 19.000 -0.055 0.000 0.814 209 A HN -0.131 7.978 8.150 -0.031 0.023 0.446 210 V N -4.583 115.313 119.914 -0.029 0.000 3.125 210 V HA 0.001 4.104 4.120 -0.028 0.000 0.249 210 V C 1.359 177.438 176.094 -0.025 0.000 1.113 210 V CA 1.690 63.973 62.300 -0.029 0.000 1.106 210 V CB 0.440 32.243 31.823 -0.033 0.000 0.768 210 V HN -0.685 7.470 8.190 -0.031 0.017 0.468 211 R N -0.710 119.778 120.500 -0.021 0.000 2.223 211 R HA 0.064 4.388 4.340 -0.027 0.000 0.198 211 R C 0.536 176.832 176.300 -0.006 0.000 0.984 211 R CA 0.516 56.604 56.100 -0.020 0.000 1.018 211 R CB 0.860 31.142 30.300 -0.031 0.000 0.945 211 R HN -0.051 8.209 8.270 -0.017 0.000 0.479 212 G N -0.307 108.494 108.800 0.002 0.000 2.660 212 G HA2 -0.306 3.687 3.960 0.003 0.000 0.215 212 G HA3 -0.306 3.655 3.960 0.002 0.000 0.215 212 G C -1.922 172.992 174.900 0.023 0.000 1.345 212 G CA -0.347 44.757 45.100 0.006 0.000 0.877 212 G HN -0.438 7.853 8.290 0.001 0.000 0.549 213 S N 0.000 115.711 115.700 0.018 0.000 2.498 213 S HA 0.000 4.493 4.470 0.038 0.000 0.327 213 S CA 0.000 58.214 58.200 0.023 0.000 1.107 213 S CB 0.000 63.209 63.200 0.014 0.000 0.593 213 S HN 0.000 8.316 8.310 0.010 0.000 0.517