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 1bxl_1_A DATA FIRST_RESID -3 DATA SEQUENCE MSMAMSQSNR ELVVDFLSYK LSQKGYSWSQ FSDVEENRTE APEGTESEXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXAV KQALREAGDE DATA SEQUENCE FELRYRRAFS DLTSQLHITP GTAYQSFEQV VNELFRDGVN WGRIVAFFSF DATA SEQUENCE GGALCVESVD KEMQVLVSRI AAWMATYLND HLEPWIQENG GWDTFVELYG DATA SEQUENCE NNAAAESRKG QERLEHHHHH H 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 -3 M HA 0.000 4.491 4.480 0.018 0.000 0.227 -3 M C 0.000 176.315 176.300 0.025 0.000 1.140 -3 M CA 0.000 55.312 55.300 0.020 0.000 0.988 -3 M CB 0.000 32.611 32.600 0.019 0.000 1.302 -2 S N 1.055 116.771 115.700 0.027 0.000 2.634 -2 S HA -0.010 4.483 4.470 0.039 0.000 0.254 -2 S C 0.259 174.878 174.600 0.032 0.000 1.299 -2 S CA 0.025 58.245 58.200 0.033 0.000 0.974 -2 S CB 1.142 64.363 63.200 0.034 0.000 1.001 -2 S HN -0.171 8.154 8.310 0.024 0.000 0.584 -1 M N -0.772 118.850 119.600 0.036 0.000 1.474 -1 M HA 0.015 4.512 4.480 0.029 0.000 0.250 -1 M C -1.840 174.482 176.300 0.037 0.000 0.846 -1 M CA 0.934 56.254 55.300 0.032 0.000 0.945 -1 M CB 0.769 33.385 32.600 0.028 0.000 1.947 -1 M HN 0.485 8.800 8.290 0.043 0.000 0.769 0 A N -2.333 120.515 122.820 0.047 0.000 2.898 0 A HA 0.271 4.623 4.320 0.053 0.000 0.192 0 A C -0.116 177.514 177.584 0.076 0.000 1.090 0 A CA 0.277 52.346 52.037 0.053 0.000 1.273 0 A CB 0.907 19.931 19.000 0.040 0.000 1.224 0 A HN -0.052 8.129 8.150 0.051 0.000 0.561 1 M N 0.480 120.131 119.600 0.086 0.000 2.288 1 M HA -0.188 4.381 4.480 0.148 0.000 0.266 1 M C 0.604 176.988 176.300 0.141 0.000 1.072 1 M CA 2.759 58.132 55.300 0.123 0.000 1.132 1 M CB 0.419 33.082 32.600 0.105 0.000 1.386 1 M HN 0.148 8.481 8.290 0.072 0.000 0.432 2 S N -3.913 111.852 115.700 0.109 0.000 2.475 2 S HA -0.112 4.438 4.470 0.133 0.000 0.224 2 S C 1.500 176.167 174.600 0.111 0.000 1.042 2 S CA 1.186 59.453 58.200 0.111 0.000 0.935 2 S CB 0.162 63.412 63.200 0.082 0.000 0.801 2 S HN 0.138 8.501 8.310 0.088 0.000 0.509 3 Q N 0.770 120.624 119.800 0.091 0.000 2.172 3 Q HA -0.212 4.177 4.340 0.083 0.000 0.200 3 Q C 1.519 177.570 176.000 0.085 0.000 0.964 3 Q CA 2.745 58.596 55.803 0.080 0.000 0.855 3 Q CB -0.014 28.761 28.738 0.060 0.000 0.918 3 Q HN -0.037 8.282 8.270 0.081 0.000 0.444 4 S N -0.966 114.788 115.700 0.089 0.000 2.419 4 S HA -0.339 4.150 4.470 0.032 0.000 0.233 4 S C 1.569 176.232 174.600 0.105 0.000 1.016 4 S CA 2.538 60.777 58.200 0.065 0.000 0.974 4 S CB -0.330 62.901 63.200 0.052 0.000 0.786 4 S HN -0.441 7.805 8.310 0.095 0.121 0.492 5 N N 1.343 120.157 118.700 0.190 0.000 2.025 5 N HA -0.350 4.623 4.740 0.388 0.000 0.194 5 N C 1.623 177.259 175.510 0.210 0.000 1.044 5 N CA 3.551 56.766 53.050 0.275 0.000 0.851 5 N CB -0.586 38.062 38.487 0.268 0.000 1.036 5 N HN -0.758 7.606 8.380 0.185 0.127 0.422 6 R N -1.387 119.207 120.500 0.157 0.000 2.241 6 R HA -0.383 4.044 4.340 0.145 0.000 0.224 6 R C 1.545 177.908 176.300 0.105 0.000 1.101 6 R CA 3.355 59.535 56.100 0.132 0.000 0.995 6 R CB -0.149 30.218 30.300 0.111 0.000 0.870 6 R HN -0.244 8.113 8.270 0.145 0.000 0.463 7 E N -0.895 119.354 120.200 0.081 0.000 2.158 7 E HA -0.157 4.213 4.350 0.032 0.000 0.191 7 E C 1.878 178.491 176.600 0.022 0.000 0.982 7 E CA 2.218 58.639 56.400 0.034 0.000 0.823 7 E CB -0.846 28.858 29.700 0.006 0.000 0.766 7 E HN -0.725 7.510 8.360 0.089 0.178 0.468 8 L N -1.120 120.134 121.223 0.052 0.000 2.072 8 L HA -0.238 4.069 4.340 -0.055 0.000 0.205 8 L C 2.351 179.398 176.870 0.294 0.000 1.079 8 L CA 3.025 57.902 54.840 0.060 0.000 0.752 8 L CB -0.178 41.874 42.059 -0.011 0.000 0.906 8 L HN -0.321 7.854 8.230 0.080 0.103 0.436 9 V N -0.895 119.218 119.914 0.331 0.000 2.358 9 V HA -0.373 4.031 4.120 0.472 0.000 0.246 9 V C 1.827 177.960 176.094 0.066 0.000 1.047 9 V CA 4.180 66.644 62.300 0.273 0.000 1.035 9 V CB -0.400 31.501 31.823 0.130 0.000 0.658 9 V HN -0.532 7.822 8.190 0.273 0.000 0.452 10 V N -0.335 119.571 119.914 -0.012 0.000 2.427 10 V HA -0.463 3.404 4.120 -0.422 0.000 0.248 10 V C 2.107 177.999 176.094 -0.337 0.000 1.051 10 V CA 3.478 65.641 62.300 -0.228 0.000 1.048 10 V CB -0.692 31.097 31.823 -0.057 0.000 0.666 10 V HN -0.535 7.688 8.190 0.054 0.000 0.456 11 D N 0.021 120.344 120.400 -0.128 0.000 2.183 11 D HA -0.210 4.325 4.640 -0.174 0.000 0.203 11 D C 2.047 178.302 176.300 -0.076 0.000 0.969 11 D CA 3.032 56.957 54.000 -0.124 0.000 0.842 11 D CB 0.113 40.861 40.800 -0.087 0.000 0.957 11 D HN -0.587 7.748 8.370 -0.039 0.012 0.484 12 F N 0.771 120.672 119.950 -0.082 0.000 2.186 12 F HA -0.236 4.342 4.527 0.085 0.000 0.299 12 F C 1.434 177.214 175.800 -0.034 0.000 1.090 12 F CA 3.747 61.769 58.000 0.035 0.000 1.307 12 F CB 0.495 39.617 39.000 0.203 0.000 1.019 12 F HN -0.587 7.724 8.300 0.205 0.112 0.489 13 L N -3.225 117.974 121.223 -0.039 0.000 2.240 13 L HA -0.423 3.935 4.340 0.030 0.000 0.211 13 L C 1.802 178.479 176.870 -0.321 0.000 1.106 13 L CA 2.260 56.947 54.840 -0.255 0.000 0.793 13 L CB -0.950 40.637 42.059 -0.786 0.000 0.927 13 L HN -0.319 7.821 8.230 -0.150 0.000 0.446 14 S N 0.477 115.896 115.700 -0.468 0.000 2.355 14 S HA -0.328 4.068 4.470 -0.124 0.000 0.222 14 S C 1.978 176.563 174.600 -0.024 0.000 1.031 14 S CA 3.633 61.691 58.200 -0.238 0.000 0.993 14 S CB -0.059 62.992 63.200 -0.249 0.000 0.859 14 S HN -0.385 7.495 8.310 -0.519 0.118 0.453 15 Y N 1.254 121.470 120.300 -0.140 0.000 2.395 15 Y HA -0.212 4.299 4.550 -0.065 0.000 0.293 15 Y C 1.123 176.991 175.900 -0.053 0.000 1.123 15 Y CA 2.434 60.469 58.100 -0.108 0.000 1.227 15 Y CB 0.174 38.517 38.460 -0.195 0.000 1.012 15 Y HN -0.495 7.809 8.280 0.041 0.000 0.552 16 K N -0.193 119.967 120.400 -0.400 0.000 1.973 16 K HA -0.374 3.505 4.320 -0.735 0.000 0.212 16 K C 2.301 178.776 176.600 -0.208 0.000 1.047 16 K CA 3.345 59.402 56.287 -0.383 0.000 0.937 16 K CB -0.208 32.309 32.500 0.029 0.000 0.721 16 K HN -0.562 7.541 8.250 -0.078 0.101 0.440 17 L N -2.637 118.594 121.223 0.013 0.000 2.083 17 L HA -0.333 4.127 4.340 0.200 0.000 0.209 17 L C 2.221 179.152 176.870 0.102 0.000 1.083 17 L CA 3.192 58.134 54.840 0.170 0.000 0.752 17 L CB -0.123 42.146 42.059 0.350 0.000 0.899 17 L HN -0.470 7.797 8.230 0.061 0.000 0.433 18 S N -2.268 113.441 115.700 0.015 0.000 2.402 18 S HA -0.406 4.189 4.470 0.029 -0.107 0.233 18 S C 1.695 176.244 174.600 -0.086 0.000 1.030 18 S CA 2.259 60.450 58.200 -0.015 0.000 1.003 18 S CB -0.265 62.932 63.200 -0.004 0.000 0.813 18 S HN -0.512 7.795 8.310 0.005 0.006 0.477 19 Q N 0.453 120.130 119.800 -0.205 0.000 1.975 19 Q HA -0.271 3.989 4.340 -0.134 0.000 0.205 19 Q C 1.656 177.609 176.000 -0.080 0.000 0.990 19 Q CA 2.497 58.190 55.803 -0.183 0.000 0.845 19 Q CB -0.081 28.473 28.738 -0.307 0.000 0.913 19 Q HN -0.598 7.339 8.270 -0.320 0.140 0.420 20 K N -3.192 117.190 120.400 -0.031 0.000 1.965 20 K HA -0.168 4.147 4.320 -0.008 0.000 0.220 20 K C 0.969 177.461 176.600 -0.180 0.000 1.046 20 K CA 1.488 57.767 56.287 -0.014 0.000 0.974 20 K CB 0.744 33.359 32.500 0.192 0.000 0.738 20 K HN -0.474 7.768 8.250 -0.014 0.000 0.444 21 G N -3.389 105.195 108.800 -0.360 0.000 4.445 21 G HA2 0.009 3.814 3.960 -0.258 0.000 0.228 21 G HA3 0.009 3.643 3.960 -0.543 0.000 0.228 21 G C -1.488 172.961 174.900 -0.752 0.000 2.381 21 G CA 0.056 44.853 45.100 -0.503 0.000 0.984 21 G HN -0.372 7.796 8.290 -0.204 0.000 0.427 22 Y N -1.072 119.271 120.300 0.072 0.000 2.545 22 Y HA 0.226 4.846 4.550 0.117 0.000 0.348 22 Y C -1.089 174.893 175.900 0.137 0.000 1.002 22 Y CA -2.172 56.009 58.100 0.134 0.000 1.039 22 Y CB 2.600 41.180 38.460 0.200 0.000 1.271 22 Y HN -0.679 7.608 8.280 0.012 0.000 0.467 23 S N 0.501 116.354 115.700 0.255 0.000 2.652 23 S HA 0.129 4.662 4.470 0.105 0.000 0.270 23 S C -0.316 174.301 174.600 0.028 0.000 1.243 23 S CA -0.220 58.020 58.200 0.066 0.000 0.999 23 S CB 1.243 64.381 63.200 -0.103 0.000 0.973 23 S HN 0.427 8.911 8.310 0.291 0.000 0.544 24 W N 3.394 124.609 121.300 -0.142 0.000 2.780 24 W HA -0.029 4.690 4.660 0.099 0.000 0.272 24 W C 0.721 177.062 176.519 -0.297 0.000 1.116 24 W CA 1.778 59.066 57.345 -0.096 0.000 1.600 24 W CB 0.486 29.956 29.460 0.017 0.000 1.086 24 W HN 0.235 8.519 8.180 0.175 0.000 0.584 25 S N 1.351 116.915 115.700 -0.226 0.000 2.440 25 S HA -0.400 4.033 4.470 -0.397 -0.202 0.238 25 S C 2.503 176.784 174.600 -0.531 0.000 1.010 25 S CA 2.554 60.558 58.200 -0.327 0.000 0.972 25 S CB -0.836 62.325 63.200 -0.066 0.000 0.774 25 S HN 0.212 8.596 8.310 0.123 0.000 0.501 26 Q N 0.790 120.133 119.800 -0.761 0.000 2.152 26 Q HA -0.215 3.854 4.340 -0.452 0.000 0.206 26 Q C 0.579 176.105 176.000 -0.790 0.000 0.985 26 Q CA 2.783 58.092 55.803 -0.824 0.000 0.863 26 Q CB 0.276 28.370 28.738 -1.074 0.000 0.904 26 Q HN 0.411 8.197 8.270 -0.728 0.047 0.422 27 F N -8.578 111.188 119.950 -0.307 0.000 2.815 27 F HA 0.301 4.684 4.527 -0.240 0.000 0.335 27 F C -1.917 173.580 175.800 -0.504 0.000 1.179 27 F CA -2.354 55.449 58.000 -0.328 0.000 1.204 27 F CB -0.043 38.787 39.000 -0.283 0.000 1.050 27 F HN -0.642 6.523 8.300 -1.874 0.011 0.510 28 S N 0.437 115.809 115.700 -0.548 0.000 2.677 28 S HA 0.138 4.346 4.470 -0.438 0.000 0.283 28 S C -0.725 173.686 174.600 -0.315 0.000 1.159 28 S CA -0.088 57.725 58.200 -0.645 0.000 1.001 28 S CB 2.244 64.389 63.200 -1.759 0.000 1.032 28 S HN -0.736 7.084 8.310 -0.609 0.124 0.487 29 D N 3.659 123.980 120.400 -0.132 0.000 2.882 29 D HA -0.311 4.320 4.640 -0.014 0.000 0.229 29 D C -0.450 175.816 176.300 -0.057 0.000 1.167 29 D CA 1.479 55.461 54.000 -0.030 0.000 0.759 29 D CB -0.126 40.718 40.800 0.074 0.000 1.088 29 D HN 0.662 8.954 8.370 -0.130 0.000 0.425 30 V N -6.997 112.854 119.914 -0.105 0.000 2.469 30 V HA -0.295 3.760 4.120 -0.108 0.000 0.251 30 V C 0.158 176.221 176.094 -0.053 0.000 1.064 30 V CA 1.413 63.655 62.300 -0.096 0.000 1.066 30 V CB -0.591 31.167 31.823 -0.108 0.000 0.667 30 V HN -0.234 7.846 8.190 -0.134 0.029 0.461 31 E N 1.277 121.454 120.200 -0.038 0.000 2.493 31 E HA -0.111 4.226 4.350 -0.022 0.000 0.255 31 E C 0.031 176.625 176.600 -0.011 0.000 0.999 31 E CA 0.534 56.922 56.400 -0.021 0.000 0.934 31 E CB -0.210 29.482 29.700 -0.013 0.000 0.940 31 E HN -0.360 7.949 8.360 -0.043 0.026 0.473 32 E N 2.802 122.995 120.200 -0.011 0.000 3.876 32 E HA -0.201 4.147 4.350 -0.004 0.000 0.398 32 E C 0.059 176.660 176.600 0.003 0.000 1.531 32 E CA 0.866 57.264 56.400 -0.004 0.000 2.239 32 E CB 0.710 30.406 29.700 -0.006 0.000 1.198 32 E HN -0.016 8.336 8.360 -0.014 0.000 0.720 33 N N -0.983 117.720 118.700 0.005 0.000 2.590 33 N HA -0.281 4.464 4.740 0.008 0.000 0.273 33 N C -1.038 174.481 175.510 0.015 0.000 1.210 33 N CA 0.659 53.714 53.050 0.009 0.000 0.676 33 N CB -0.538 37.954 38.487 0.008 0.000 0.881 33 N HN 0.293 8.676 8.380 0.004 0.000 0.550 34 R N 3.082 123.591 120.500 0.017 0.000 2.843 34 R HA 0.283 4.639 4.340 0.027 0.000 0.232 34 R C 0.095 176.408 176.300 0.022 0.000 1.305 34 R CA -0.652 55.462 56.100 0.023 0.000 1.096 34 R CB 1.243 31.558 30.300 0.026 0.000 1.455 34 R HN 0.006 8.285 8.270 0.014 0.000 0.520 35 T N 0.829 115.398 114.554 0.025 0.000 3.023 35 T HA 0.103 4.464 4.350 0.019 0.000 0.249 35 T C 0.473 175.184 174.700 0.019 0.000 1.050 35 T CA 1.116 63.229 62.100 0.022 0.000 1.088 35 T CB 0.944 69.827 68.868 0.026 0.000 0.946 35 T HN -0.059 8.198 8.240 0.029 0.000 0.480 36 E N -2.477 117.735 120.200 0.020 0.000 4.756 36 E HA -0.366 3.994 4.350 0.016 0.000 0.242 36 E C -1.364 175.244 176.600 0.013 0.000 0.834 36 E CA 0.992 57.401 56.400 0.015 0.000 2.024 36 E CB -1.378 28.329 29.700 0.012 0.000 1.768 36 E HN 0.324 8.698 8.360 0.024 0.000 0.481 37 A N -2.215 120.614 122.820 0.015 0.000 2.770 37 A HA -0.175 4.154 4.320 0.015 0.000 0.674 37 A C -1.817 175.772 177.584 0.008 0.000 0.315 37 A CA 0.006 52.051 52.037 0.013 0.000 0.133 37 A CB -0.904 18.102 19.000 0.011 0.000 3.903 37 A HN -0.419 7.634 8.150 0.017 0.107 0.543 38 P HA -0.070 4.353 4.420 0.005 0.000 0.214 38 P C -0.549 176.751 177.300 -0.000 0.000 1.162 38 P CA 1.638 64.741 63.100 0.004 0.000 0.871 38 P CB 0.390 32.093 31.700 0.005 0.000 0.783 39 E N -4.574 115.624 120.200 -0.004 0.000 1.637 39 E HA -0.028 4.316 4.350 -0.009 0.000 0.219 39 E C -1.044 175.546 176.600 -0.018 0.000 1.053 39 E CA 0.123 56.517 56.400 -0.010 0.000 1.275 39 E CB 0.238 29.931 29.700 -0.010 0.000 4.322 39 E HN -0.316 8.042 8.360 -0.003 0.000 0.847 40 G N 1.409 110.198 108.800 -0.018 0.000 3.269 40 G HA2 -0.078 3.865 3.960 -0.029 0.000 0.668 40 G HA3 -0.078 3.859 3.960 -0.038 0.000 0.668 40 G C -1.268 173.610 174.900 -0.038 0.000 1.100 40 G CA -0.317 44.764 45.100 -0.031 0.000 0.940 40 G HN -0.316 7.967 8.290 -0.012 0.000 0.438 41 T N -2.317 112.216 114.554 -0.035 0.000 2.999 41 T HA 0.064 4.392 4.350 -0.036 0.000 0.247 41 T C 1.488 176.159 174.700 -0.047 0.000 1.012 41 T CA 0.786 62.865 62.100 -0.034 0.000 1.048 41 T CB 1.031 69.889 68.868 -0.017 0.000 1.020 41 T HN -0.134 8.088 8.240 -0.029 0.000 0.478 42 E N 2.250 122.416 120.200 -0.058 0.000 2.106 42 E HA -0.079 4.244 4.350 -0.045 0.000 0.192 42 E C 1.666 178.170 176.600 -0.160 0.000 0.984 42 E CA 3.285 59.632 56.400 -0.089 0.000 0.806 42 E CB -0.741 28.896 29.700 -0.105 0.000 0.750 42 E HN 0.465 8.796 8.360 -0.048 0.000 0.458 43 S N -4.206 111.391 115.700 -0.172 0.000 2.500 43 S HA -0.285 4.016 4.470 -0.282 0.000 0.239 43 S C 0.649 175.166 174.600 -0.138 0.000 0.989 43 S CA 1.164 59.246 58.200 -0.196 0.000 0.951 43 S CB -0.550 62.552 63.200 -0.163 0.000 0.759 43 S HN -0.070 8.157 8.310 -0.138 0.000 0.523 86 V N 1.683 121.578 119.914 -0.031 0.000 2.221 86 V HA -0.454 3.822 4.120 0.260 0.000 0.242 86 V C 1.358 177.468 176.094 0.027 0.000 1.041 86 V CA 2.729 65.053 62.300 0.041 0.000 0.995 86 V CB 0.082 31.747 31.823 -0.263 0.000 0.635 86 V HN -0.033 8.098 8.190 -0.066 0.019 0.448 87 K N -1.683 118.633 120.400 -0.140 0.000 2.113 87 K HA -0.438 3.768 4.320 -0.191 0.000 0.208 87 K C 2.028 178.567 176.600 -0.102 0.000 1.047 87 K CA 3.234 59.426 56.287 -0.157 0.000 0.928 87 K CB -0.351 32.035 32.500 -0.191 0.000 0.716 87 K HN -0.660 7.360 8.250 -0.194 0.114 0.446 88 Q N -1.217 118.536 119.800 -0.079 0.000 2.002 88 Q HA -0.353 3.921 4.340 -0.110 0.000 0.204 88 Q C 1.958 177.945 176.000 -0.023 0.000 0.988 88 Q CA 3.439 59.197 55.803 -0.075 0.000 0.843 88 Q CB -0.123 28.573 28.738 -0.069 0.000 0.908 88 Q HN -0.591 7.614 8.270 -0.080 0.017 0.420 89 A N -1.623 121.205 122.820 0.013 0.000 2.121 89 A HA -0.164 4.163 4.320 0.012 0.000 0.218 89 A C 2.184 179.968 177.584 0.334 0.000 1.154 89 A CA 2.375 54.437 52.037 0.041 0.000 0.679 89 A CB -0.529 18.250 19.000 -0.368 0.000 0.795 89 A HN -0.456 7.690 8.150 -0.005 0.000 0.458 90 L N -2.605 118.816 121.223 0.331 0.000 2.341 90 L HA -0.231 4.362 4.340 0.422 0.000 0.214 90 L C 2.189 179.148 176.870 0.148 0.000 1.115 90 L CA 2.759 57.768 54.840 0.281 0.000 0.820 90 L CB -0.015 42.059 42.059 0.025 0.000 0.944 90 L HN -0.293 7.890 8.230 0.206 0.170 0.452 91 R N -0.470 120.002 120.500 -0.047 0.000 2.066 91 R HA -0.288 3.851 4.340 -0.334 0.000 0.224 91 R C 2.183 178.476 176.300 -0.011 0.000 1.122 91 R CA 3.406 59.387 56.100 -0.198 0.000 0.974 91 R CB -0.049 30.042 30.300 -0.348 0.000 0.871 91 R HN -0.163 7.938 8.270 -0.045 0.143 0.435 92 E N -1.583 118.641 120.200 0.040 0.000 2.152 92 E HA -0.209 4.187 4.350 0.077 0.000 0.192 92 E C 1.766 178.482 176.600 0.194 0.000 0.983 92 E CA 2.755 59.212 56.400 0.094 0.000 0.818 92 E CB -0.028 29.713 29.700 0.069 0.000 0.758 92 E HN -0.538 7.835 8.360 0.022 0.000 0.467 93 A N -1.759 121.215 122.820 0.258 0.000 2.016 93 A HA -0.026 4.513 4.320 0.366 0.000 0.217 93 A C 1.653 179.476 177.584 0.398 0.000 1.162 93 A CA 2.153 54.404 52.037 0.357 0.000 0.662 93 A CB -0.499 18.754 19.000 0.421 0.000 0.812 93 A HN -0.259 8.016 8.150 0.237 0.017 0.450 94 G N -1.884 107.160 108.800 0.407 0.000 2.430 94 G HA2 -0.230 4.076 3.960 0.577 0.000 0.216 94 G HA3 -0.230 4.213 3.960 0.703 -0.061 0.216 94 G C 1.163 176.368 174.900 0.508 0.000 1.146 94 G CA 1.585 47.021 45.100 0.559 0.000 0.793 94 G HN -0.358 8.014 8.290 0.336 0.120 0.537 95 D N 1.281 121.889 120.400 0.347 0.000 2.234 95 D HA -0.113 4.701 4.640 0.291 0.000 0.205 95 D C 1.449 177.894 176.300 0.242 0.000 0.962 95 D CA 2.717 56.880 54.000 0.272 0.000 0.855 95 D CB 0.312 41.227 40.800 0.192 0.000 0.951 95 D HN -0.415 8.124 8.370 0.283 0.000 0.500 96 E N -0.233 120.126 120.200 0.265 0.000 2.170 96 E HA -0.179 4.274 4.350 0.172 0.000 0.191 96 E C 1.951 178.714 176.600 0.270 0.000 0.981 96 E CA 2.628 59.167 56.400 0.232 0.000 0.830 96 E CB 0.183 30.024 29.700 0.235 0.000 0.775 96 E HN -0.623 7.891 8.360 0.289 0.019 0.470 97 F N 0.143 120.231 119.950 0.230 0.000 2.206 97 F HA -0.222 4.452 4.527 0.244 0.000 0.298 97 F C 1.386 177.339 175.800 0.255 0.000 1.090 97 F CA 3.166 61.312 58.000 0.243 0.000 1.323 97 F CB 0.439 39.584 39.000 0.242 0.000 1.028 97 F HN -0.439 8.179 8.300 0.530 0.000 0.492 98 E N -0.085 120.009 120.200 -0.176 0.000 2.047 98 E HA -0.469 3.442 4.350 -0.733 0.000 0.191 98 E C 1.950 178.494 176.600 -0.094 0.000 0.987 98 E CA 3.180 59.414 56.400 -0.276 0.000 0.799 98 E CB 0.141 29.916 29.700 0.125 0.000 0.752 98 E HN -0.605 7.951 8.360 0.326 0.000 0.449 99 L N -1.016 120.218 121.223 0.018 0.000 2.127 99 L HA -0.306 4.059 4.340 0.041 0.000 0.211 99 L C 1.997 178.870 176.870 0.004 0.000 1.089 99 L CA 3.147 58.008 54.840 0.035 0.000 0.757 99 L CB -0.029 42.069 42.059 0.065 0.000 0.899 99 L HN -0.457 7.819 8.230 0.076 0.000 0.434 100 R N -2.787 117.710 120.500 -0.005 0.000 2.200 100 R HA -0.251 4.079 4.340 -0.018 0.000 0.208 100 R C 2.410 178.692 176.300 -0.029 0.000 1.033 100 R CA 2.479 58.577 56.100 -0.005 0.000 1.000 100 R CB -0.156 30.183 30.300 0.064 0.000 0.906 100 R HN -0.524 7.645 8.270 -0.000 0.101 0.462 101 Y N 1.248 121.418 120.300 -0.217 0.000 2.184 101 Y HA -0.334 4.228 4.550 0.021 0.000 0.290 101 Y C 1.668 177.560 175.900 -0.013 0.000 1.129 101 Y CA 3.764 61.782 58.100 -0.138 0.000 1.144 101 Y CB 0.157 38.383 38.460 -0.390 0.000 0.995 101 Y HN -0.396 7.658 8.280 -0.118 0.155 0.513 102 R N -2.838 117.680 120.500 0.031 0.000 2.093 102 R HA -0.177 4.311 4.340 -0.020 -0.160 0.224 102 R C 2.502 178.754 176.300 -0.079 0.000 1.101 102 R CA 2.368 58.466 56.100 -0.002 0.000 0.979 102 R CB 0.141 30.481 30.300 0.067 0.000 0.877 102 R HN -0.517 7.800 8.270 0.079 0.000 0.441 103 R N -1.048 119.402 120.500 -0.083 0.000 2.280 103 R HA -0.179 4.110 4.340 -0.085 0.000 0.207 103 R C 0.311 176.479 176.300 -0.220 0.000 1.043 103 R CA 2.249 58.284 56.100 -0.108 0.000 1.006 103 R CB -0.013 30.247 30.300 -0.066 0.000 0.885 103 R HN -0.372 7.868 8.270 -0.051 0.000 0.467 104 A N -4.241 118.369 122.820 -0.351 0.000 2.259 104 A HA 0.148 4.103 4.320 -0.609 0.000 0.213 104 A C -0.556 176.261 177.584 -1.277 0.000 1.209 104 A CA 1.120 52.703 52.037 -0.755 0.000 0.910 104 A CB 1.209 19.751 19.000 -0.763 0.000 0.946 104 A HN -0.180 7.628 8.150 -0.283 0.172 0.497 105 F N -3.335 116.454 119.950 -0.267 0.000 1.796 105 F HA 0.287 4.706 4.527 -0.180 0.000 0.233 105 F C -0.202 175.464 175.800 -0.224 0.000 1.242 105 F CA 0.696 58.530 58.000 -0.277 0.000 1.308 105 F CB 2.507 41.243 39.000 -0.440 0.000 1.920 105 F HN -0.260 7.730 8.300 -0.346 0.103 0.237 106 S N -2.846 112.808 115.700 -0.077 0.000 2.682 106 S HA 0.006 4.491 4.470 0.024 0.000 0.280 106 S C -1.901 172.785 174.600 0.144 0.000 1.207 106 S CA -0.905 57.309 58.200 0.024 0.000 0.987 106 S CB 0.501 63.740 63.200 0.065 0.000 1.263 106 S HN -0.541 7.589 8.310 -0.300 0.000 0.494 107 D N 0.082 120.610 120.400 0.214 0.000 2.398 107 D HA 0.056 4.907 4.640 0.352 0.000 0.247 107 D C -0.059 176.503 176.300 0.437 0.000 1.227 107 D CA 1.081 55.266 54.000 0.309 0.000 0.980 107 D CB 0.862 41.778 40.800 0.193 0.000 1.106 107 D HN 0.082 8.545 8.370 0.154 0.000 0.493 108 L N -3.420 118.008 121.223 0.342 0.000 2.379 108 L HA 0.143 4.693 4.340 0.350 0.000 0.190 108 L C 1.702 178.741 176.870 0.283 0.000 1.111 108 L CA 1.647 56.669 54.840 0.303 0.000 0.820 108 L CB 0.353 42.566 42.059 0.258 0.000 1.046 108 L HN -0.090 8.304 8.230 0.273 0.000 0.485 109 T N -3.684 111.006 114.554 0.228 0.000 2.881 109 T HA -0.338 4.105 4.350 0.154 0.000 0.270 109 T C 1.308 176.093 174.700 0.143 0.000 1.068 109 T CA 3.328 65.518 62.100 0.150 0.000 1.131 109 T CB -0.739 68.175 68.868 0.076 0.000 0.871 109 T HN -0.201 8.169 8.240 0.216 0.000 0.479 110 S N -1.186 114.602 115.700 0.148 0.000 2.400 110 S HA -0.222 4.315 4.470 0.112 0.000 0.232 110 S C 1.333 176.019 174.600 0.143 0.000 1.025 110 S CA 2.688 60.967 58.200 0.131 0.000 0.993 110 S CB -0.245 63.031 63.200 0.126 0.000 0.808 110 S HN -0.093 8.292 8.310 0.163 0.022 0.478 111 Q N -0.001 119.889 119.800 0.151 0.000 2.269 111 Q HA -0.064 4.346 4.340 0.116 0.000 0.201 111 Q C 1.027 177.081 176.000 0.091 0.000 0.946 111 Q CA 1.284 57.160 55.803 0.121 0.000 0.877 111 Q CB 0.813 29.619 28.738 0.114 0.000 0.963 111 Q HN -0.645 7.605 8.270 0.174 0.125 0.472 112 L N -3.915 117.378 121.223 0.116 0.000 2.479 112 L HA -0.102 4.209 4.340 -0.049 0.000 0.248 112 L C -0.218 176.772 176.870 0.200 0.000 1.205 112 L CA 0.091 54.973 54.840 0.070 0.000 0.817 112 L CB 0.962 43.087 42.059 0.110 0.000 1.162 112 L HN -0.846 7.356 8.230 0.149 0.117 0.486 113 H N -3.426 115.667 119.070 0.040 0.000 2.594 113 H HA 0.025 4.594 4.556 0.023 0.000 0.274 113 H C 0.027 175.366 175.328 0.018 0.000 0.982 113 H CA -0.547 55.516 56.048 0.025 0.000 1.228 113 H CB 2.828 32.602 29.762 0.020 0.000 1.447 113 H HN 0.361 8.696 8.280 0.091 0.000 0.485 114 I N -3.082 117.583 120.570 0.159 0.000 8.905 114 I HA -0.286 3.940 4.170 0.093 0.000 0.126 114 I C -2.111 174.053 176.117 0.078 0.000 1.862 114 I CA 1.074 62.428 61.300 0.090 0.000 2.041 114 I CB -1.190 36.834 38.000 0.040 0.000 3.915 114 I HN 0.116 8.417 8.210 0.152 0.000 0.170 115 T N -0.146 114.455 114.554 0.078 0.000 3.121 115 T HA 0.227 4.594 4.350 0.028 0.000 0.377 115 T C -2.491 172.263 174.700 0.090 0.000 1.820 115 T CA -1.576 60.561 62.100 0.061 0.000 1.098 115 T CB 1.469 70.377 68.868 0.066 0.000 1.681 115 T HN -0.073 8.226 8.240 0.099 0.000 0.492 116 P HA -0.017 4.477 4.420 0.123 0.000 0.256 116 P C -0.827 176.534 177.300 0.102 0.000 1.688 116 P CA -0.254 62.896 63.100 0.084 0.000 1.162 116 P CB -1.871 29.849 31.700 0.033 0.000 1.870 117 G N 4.348 113.237 108.800 0.148 0.000 3.859 117 G HA2 -0.090 3.944 3.960 0.123 0.000 0.198 117 G HA3 -0.090 3.925 3.960 0.092 0.000 0.198 117 G C -0.270 174.721 174.900 0.152 0.000 0.972 117 G CA 0.586 45.762 45.100 0.127 0.000 0.882 117 G HN 0.125 8.515 8.290 0.199 0.020 0.364 118 T N 1.391 116.030 114.554 0.141 0.000 3.339 118 T HA 0.321 4.743 4.350 0.120 0.000 0.292 118 T C 0.063 174.822 174.700 0.098 0.000 1.012 118 T CA -0.729 61.435 62.100 0.106 0.000 0.937 118 T CB 0.647 69.552 68.868 0.061 0.000 1.164 118 T HN -0.534 7.785 8.240 0.132 0.000 0.509 119 A N 3.055 125.992 122.820 0.196 0.000 1.887 119 A HA -0.155 4.257 4.320 0.152 0.000 0.212 119 A C 0.109 177.817 177.584 0.208 0.000 1.198 119 A CA 2.257 54.435 52.037 0.236 0.000 0.628 119 A CB -0.315 18.900 19.000 0.358 0.000 0.847 119 A HN -0.569 7.738 8.150 0.261 0.000 0.449 120 Y N -0.246 120.021 120.300 -0.056 0.000 2.256 120 Y HA -0.485 3.702 4.550 -0.604 0.000 0.288 120 Y C 1.341 177.121 175.900 -0.199 0.000 1.155 120 Y CA 3.046 60.772 58.100 -0.624 0.000 1.203 120 Y CB -0.901 36.717 38.460 -1.404 0.000 0.980 120 Y HN -0.097 8.396 8.280 0.354 0.000 0.530 121 Q N -1.139 118.003 119.800 -1.096 0.000 2.079 121 Q HA -0.383 2.962 4.340 -1.659 0.000 0.200 121 Q C 2.088 177.759 176.000 -0.547 0.000 0.974 121 Q CA 3.110 58.268 55.803 -1.074 0.000 0.840 121 Q CB -0.980 27.435 28.738 -0.538 0.000 0.898 121 Q HN 0.013 7.985 8.270 -0.461 0.022 0.430 122 S N 0.153 115.696 115.700 -0.261 0.000 2.351 122 S HA -0.318 4.070 4.470 -0.137 0.000 0.220 122 S C 1.952 176.520 174.600 -0.053 0.000 1.035 122 S CA 3.368 61.505 58.200 -0.105 0.000 1.031 122 S CB -0.279 62.933 63.200 0.019 0.000 0.928 122 S HN -0.644 7.462 8.310 -0.189 0.090 0.433 123 F N 0.538 120.444 119.950 -0.075 0.000 2.333 123 F HA -0.252 4.458 4.527 0.305 0.000 0.300 123 F C 1.185 176.915 175.800 -0.115 0.000 1.083 123 F CA 2.234 60.262 58.000 0.047 0.000 1.395 123 F CB 0.028 39.063 39.000 0.058 0.000 1.056 123 F HN -0.513 7.906 8.300 0.198 0.000 0.529 124 E N -0.559 118.939 120.200 -1.170 0.000 2.152 124 E HA -0.275 2.996 4.350 -1.799 0.000 0.192 124 E C 2.511 178.672 176.600 -0.733 0.000 0.983 124 E CA 2.705 58.349 56.400 -1.260 0.000 0.818 124 E CB -0.773 28.322 29.700 -1.008 0.000 0.758 124 E HN -0.255 7.481 8.360 -0.770 0.162 0.467 125 Q N -0.813 118.691 119.800 -0.494 0.000 2.083 125 Q HA -0.197 3.950 4.340 -0.323 0.000 0.198 125 Q C 2.651 178.482 176.000 -0.282 0.000 0.969 125 Q CA 3.158 58.765 55.803 -0.326 0.000 0.838 125 Q CB 0.299 28.897 28.738 -0.233 0.000 0.900 125 Q HN -0.552 7.322 8.270 -0.462 0.119 0.436 126 V N -0.402 119.370 119.914 -0.236 0.000 2.515 126 V HA -0.355 3.639 4.120 -0.210 0.000 0.250 126 V C 2.142 178.092 176.094 -0.239 0.000 1.058 126 V CA 3.476 65.651 62.300 -0.210 0.000 1.064 126 V CB -1.068 30.636 31.823 -0.198 0.000 0.675 126 V HN -0.495 7.575 8.190 -0.199 0.000 0.461 127 V N 1.530 121.222 119.914 -0.370 0.000 2.244 127 V HA -0.501 3.388 4.120 -0.386 0.000 0.244 127 V C 1.399 177.208 176.094 -0.475 0.000 1.042 127 V CA 4.818 66.801 62.300 -0.528 0.000 1.006 127 V CB -0.240 31.004 31.823 -0.965 0.000 0.641 127 V HN -0.278 7.523 8.190 -0.472 0.106 0.446 128 N N -2.085 116.350 118.700 -0.441 0.000 2.149 128 N HA -0.358 4.224 4.740 -0.263 0.000 0.188 128 N C 1.439 176.864 175.510 -0.142 0.000 1.019 128 N CA 2.762 55.648 53.050 -0.273 0.000 0.857 128 N CB -0.072 38.265 38.487 -0.250 0.000 0.997 128 N HN -0.631 7.447 8.380 -0.502 0.000 0.426 129 E N -1.352 118.754 120.200 -0.157 0.000 2.021 129 E HA -0.320 3.978 4.350 -0.086 0.000 0.200 129 E C 1.926 178.505 176.600 -0.035 0.000 1.015 129 E CA 2.393 58.735 56.400 -0.097 0.000 0.824 129 E CB -0.165 29.465 29.700 -0.117 0.000 0.762 129 E HN -0.717 7.503 8.360 -0.211 0.014 0.454 130 L N -2.634 118.577 121.223 -0.019 0.000 1.990 130 L HA -0.283 4.086 4.340 0.049 0.000 0.213 130 L C 1.614 178.588 176.870 0.172 0.000 1.072 130 L CA 2.511 57.395 54.840 0.075 0.000 0.755 130 L CB 0.281 42.403 42.059 0.105 0.000 0.889 130 L HN -0.747 7.438 8.230 -0.076 0.000 0.432 131 F N -3.267 116.595 119.950 -0.146 0.000 2.506 131 F HA -0.183 4.230 4.527 -0.189 0.000 0.353 131 F C 0.728 176.444 175.800 -0.142 0.000 1.194 131 F CA 0.651 58.552 58.000 -0.165 0.000 1.048 131 F CB -1.717 37.179 39.000 -0.173 0.000 1.160 131 F HN -0.605 7.856 8.300 0.267 0.000 0.598 132 R N 3.247 123.712 120.500 -0.058 0.000 2.161 132 R HA -0.131 4.189 4.340 -0.034 0.000 0.213 132 R C 0.093 176.337 176.300 -0.093 0.000 1.055 132 R CA 1.757 57.818 56.100 -0.065 0.000 0.996 132 R CB 0.710 30.967 30.300 -0.072 0.000 0.901 132 R HN 0.064 8.254 8.270 -0.133 0.000 0.456 133 D N -4.701 115.598 120.400 -0.169 0.000 1.769 133 D HA -0.016 4.563 4.640 -0.101 0.000 0.521 133 D C -0.478 175.670 176.300 -0.253 0.000 0.976 133 D CA 0.508 54.413 54.000 -0.159 0.000 1.053 133 D CB 0.501 41.221 40.800 -0.135 0.000 1.746 133 D HN -0.090 8.124 8.370 -0.260 0.000 0.532 134 G N 0.639 109.171 108.800 -0.448 0.000 3.382 134 G HA2 0.302 3.967 3.960 -0.491 0.000 0.183 134 G HA3 0.302 3.939 3.960 -0.538 0.000 0.183 134 G C -2.609 171.527 174.900 -1.275 0.000 1.246 134 G CA 0.312 45.027 45.100 -0.643 0.000 0.828 134 G HN -0.302 7.714 8.290 -0.457 0.000 0.728 135 V N 1.161 120.201 119.914 -1.456 0.000 2.445 135 V HA 0.172 3.154 4.120 -1.897 0.000 0.283 135 V C -1.887 173.098 176.094 -1.847 0.000 1.014 135 V CA -0.618 60.554 62.300 -1.879 0.000 0.852 135 V CB 2.080 32.671 31.823 -2.054 0.000 1.021 135 V HN -0.077 7.350 8.190 -1.272 0.000 0.435 136 N N 5.221 123.288 118.700 -1.054 0.000 2.443 136 N HA 0.129 4.399 4.740 -0.785 0.000 0.295 136 N C -0.469 174.818 175.510 -0.371 0.000 1.076 136 N CA -0.961 51.690 53.050 -0.665 0.000 0.919 136 N CB 2.162 40.473 38.487 -0.293 0.000 1.176 136 N HN -0.023 7.842 8.380 -0.858 0.000 0.487 137 W N 1.176 122.546 121.300 0.117 0.000 2.186 137 W HA -0.319 4.450 4.660 0.183 0.000 0.355 137 W C 0.872 177.493 176.519 0.170 0.000 1.293 137 W CA 1.204 58.682 57.345 0.222 0.000 1.316 137 W CB 0.422 30.133 29.460 0.418 0.000 1.212 137 W HN 0.295 8.278 8.180 -0.329 0.000 0.610 138 G N -1.618 107.398 108.800 0.359 0.000 2.729 138 G HA2 -0.462 3.503 3.960 0.009 0.000 0.216 138 G HA3 -0.462 3.695 3.960 0.328 0.000 0.216 138 G C 0.640 175.611 174.900 0.119 0.000 1.252 138 G CA 0.736 45.957 45.100 0.202 0.000 0.751 138 G HN 0.164 8.649 8.290 0.326 0.000 0.527 139 R N 2.610 123.188 120.500 0.130 0.000 2.148 139 R HA -0.182 4.212 4.340 0.089 0.000 0.227 139 R C 2.061 178.443 176.300 0.137 0.000 1.103 139 R CA 2.566 58.734 56.100 0.112 0.000 0.983 139 R CB -0.100 30.277 30.300 0.130 0.000 0.874 139 R HN -0.560 7.719 8.270 0.132 0.070 0.451 140 I N -0.011 120.657 120.570 0.162 0.000 2.252 140 I HA -0.371 3.944 4.170 0.240 0.000 0.245 140 I C 1.429 177.704 176.117 0.263 0.000 1.102 140 I CA 3.970 65.408 61.300 0.229 0.000 1.385 140 I CB -0.769 37.378 38.000 0.245 0.000 1.064 140 I HN -0.146 8.135 8.210 0.169 0.030 0.414 141 V N 0.657 120.616 119.914 0.075 0.000 2.358 141 V HA -0.354 3.828 4.120 0.103 0.000 0.246 141 V C 1.756 177.742 176.094 -0.180 0.000 1.047 141 V CA 2.657 64.962 62.300 0.009 0.000 1.035 141 V CB -1.320 30.472 31.823 -0.052 0.000 0.658 141 V HN -0.473 7.727 8.190 0.017 0.000 0.452 142 A N -0.342 122.244 122.820 -0.390 0.000 2.019 142 A HA -0.296 2.468 4.320 -2.594 0.000 0.219 142 A C 1.740 178.970 177.584 -0.589 0.000 1.164 142 A CA 2.945 54.276 52.037 -1.178 0.000 0.644 142 A CB -0.636 17.933 19.000 -0.717 0.000 0.805 142 A HN -0.374 7.658 8.150 -0.195 0.000 0.449 143 F N -1.577 118.210 119.950 -0.271 0.000 2.367 143 F HA -0.266 4.283 4.527 0.037 0.000 0.298 143 F C 0.836 176.511 175.800 -0.208 0.000 1.094 143 F CA 2.654 60.593 58.000 -0.102 0.000 1.409 143 F CB 0.361 39.334 39.000 -0.044 0.000 1.064 143 F HN -0.429 7.789 8.300 0.071 0.125 0.528 144 F N 0.775 120.452 119.950 -0.455 0.000 2.060 144 F HA -0.287 3.708 4.527 -0.886 0.000 0.295 144 F C 2.238 177.364 175.800 -1.123 0.000 1.120 144 F CA 4.225 61.672 58.000 -0.923 0.000 1.205 144 F CB 0.310 38.721 39.000 -0.981 0.000 0.986 144 F HN -0.848 7.337 8.300 0.035 0.136 0.470 145 S N -1.472 113.951 115.700 -0.461 0.000 2.423 145 S HA -0.359 4.299 4.470 0.313 0.000 0.231 145 S C 1.834 176.512 174.600 0.130 0.000 1.014 145 S CA 2.660 60.912 58.200 0.087 0.000 0.965 145 S CB -0.067 63.440 63.200 0.512 0.000 0.785 145 S HN -0.434 7.686 8.310 -0.317 0.000 0.495 146 F N 2.513 122.348 119.950 -0.192 0.000 2.051 146 F HA -0.265 4.286 4.527 0.041 0.000 0.296 146 F C 1.344 177.025 175.800 -0.199 0.000 1.122 146 F CA 2.032 59.958 58.000 -0.123 0.000 1.201 146 F CB -0.227 38.667 39.000 -0.176 0.000 0.978 146 F HN -0.435 7.686 8.300 -0.117 0.109 0.472 147 G N -2.456 105.947 108.800 -0.662 0.000 2.440 147 G HA2 -0.464 3.011 3.960 -0.810 0.000 0.218 147 G HA3 -0.464 3.034 3.960 -0.771 0.000 0.218 147 G C 1.266 175.931 174.900 -0.391 0.000 1.154 147 G CA 2.019 46.698 45.100 -0.701 0.000 0.767 147 G HN -0.270 7.606 8.290 -0.690 0.000 0.552 148 G N -0.274 108.384 108.800 -0.237 0.000 2.450 148 G HA2 -0.339 3.628 3.960 0.012 0.000 0.220 148 G HA3 -0.339 3.733 3.960 0.186 0.000 0.220 148 G C 0.491 175.392 174.900 0.003 0.000 1.130 148 G CA 1.485 46.589 45.100 0.006 0.000 0.760 148 G HN -0.308 7.787 8.290 -0.313 0.007 0.557 149 A N 2.403 125.206 122.820 -0.029 0.000 1.873 149 A HA -0.285 4.067 4.320 0.053 0.000 0.215 149 A C 1.608 179.143 177.584 -0.082 0.000 1.186 149 A CA 2.645 54.681 52.037 -0.001 0.000 0.616 149 A CB -0.454 18.585 19.000 0.065 0.000 0.823 149 A HN -0.579 7.408 8.150 -0.060 0.127 0.442 150 L N -2.918 118.174 121.223 -0.218 0.000 2.187 150 L HA -0.355 3.904 4.340 -0.135 0.000 0.213 150 L C 2.268 179.055 176.870 -0.137 0.000 1.100 150 L CA 3.653 58.375 54.840 -0.197 0.000 0.765 150 L CB -0.294 41.581 42.059 -0.306 0.000 0.904 150 L HN -0.478 7.535 8.230 -0.362 0.000 0.437 151 C N -2.413 116.818 119.300 -0.115 0.000 2.457 151 C HA -0.380 4.013 4.460 -0.111 0.000 0.278 151 C C 1.778 176.724 174.990 -0.074 0.000 1.309 151 C CA 4.277 63.256 59.018 -0.065 0.000 1.735 151 C CB -1.399 26.381 27.740 0.066 0.000 1.992 151 C HN -0.339 7.692 8.230 -0.128 0.122 0.493 152 V N 1.781 121.672 119.914 -0.037 0.000 2.216 152 V HA -0.517 3.576 4.120 -0.045 0.000 0.243 152 V C 1.798 177.812 176.094 -0.134 0.000 1.044 152 V CA 4.636 66.907 62.300 -0.048 0.000 0.995 152 V CB -0.298 31.541 31.823 0.026 0.000 0.633 152 V HN -0.405 7.685 8.190 -0.019 0.089 0.446 153 E N -1.299 118.852 120.200 -0.082 0.000 2.209 153 E HA -0.402 3.897 4.350 -0.086 0.000 0.196 153 E C 2.759 179.276 176.600 -0.138 0.000 0.993 153 E CA 3.010 59.358 56.400 -0.087 0.000 0.819 153 E CB -0.410 29.272 29.700 -0.030 0.000 0.745 153 E HN -0.579 7.754 8.360 -0.045 0.000 0.477 154 S N -0.200 115.404 115.700 -0.159 0.000 2.348 154 S HA -0.341 4.042 4.470 -0.144 0.000 0.221 154 S C 2.008 176.436 174.600 -0.286 0.000 1.033 154 S CA 3.681 61.766 58.200 -0.192 0.000 1.010 154 S CB -0.047 63.032 63.200 -0.202 0.000 0.891 154 S HN -0.492 7.606 8.310 -0.141 0.127 0.442 155 V N 1.131 120.806 119.914 -0.397 0.000 2.407 155 V HA -0.410 3.366 4.120 -0.573 0.000 0.248 155 V C 1.657 177.480 176.094 -0.452 0.000 1.055 155 V CA 3.625 65.598 62.300 -0.544 0.000 1.049 155 V CB -0.435 30.966 31.823 -0.702 0.000 0.662 155 V HN -0.511 7.462 8.190 -0.363 0.000 0.455 156 D N -0.206 119.938 120.400 -0.427 0.000 2.264 156 D HA -0.233 4.230 4.640 -0.294 0.000 0.208 156 D C 0.925 177.128 176.300 -0.161 0.000 0.966 156 D CA 2.764 56.596 54.000 -0.279 0.000 0.864 156 D CB 0.144 40.834 40.800 -0.183 0.000 0.933 156 D HN -0.655 7.454 8.370 -0.421 0.008 0.499 157 K N -1.972 118.332 120.400 -0.161 0.000 2.577 157 K HA 0.023 4.294 4.320 -0.082 0.000 0.210 157 K C -1.585 174.945 176.600 -0.117 0.000 1.048 157 K CA -0.720 55.502 56.287 -0.108 0.000 1.188 157 K CB 0.108 32.557 32.500 -0.086 0.000 0.910 157 K HN -0.714 7.263 8.250 -0.196 0.156 0.483 158 E N -4.621 115.492 120.200 -0.144 0.000 2.252 158 E HA -0.353 3.909 4.350 -0.147 0.000 0.218 158 E C -1.021 175.490 176.600 -0.149 0.000 1.253 158 E CA 1.211 57.531 56.400 -0.133 0.000 0.705 158 E CB -2.583 27.069 29.700 -0.081 0.000 1.172 158 E HN -0.328 7.835 8.360 -0.168 0.096 0.369 159 M N -0.213 119.259 119.600 -0.212 0.000 3.124 159 M HA 0.191 4.579 4.480 -0.153 0.000 0.298 159 M C -0.015 176.099 176.300 -0.311 0.000 1.403 159 M CA -0.807 54.370 55.300 -0.204 0.000 0.651 159 M CB 0.810 33.313 32.600 -0.162 0.000 1.412 159 M HN -0.513 7.618 8.290 -0.265 0.000 0.477 160 Q N 0.830 120.417 119.800 -0.354 0.000 2.061 160 Q HA -0.448 3.337 4.340 -0.925 0.000 0.204 160 Q C 1.389 177.191 176.000 -0.331 0.000 0.984 160 Q CA 3.916 59.408 55.803 -0.517 0.000 0.846 160 Q CB -0.343 28.209 28.738 -0.310 0.000 0.902 160 Q HN 0.187 8.294 8.270 -0.272 0.000 0.421 161 V N -1.378 118.415 119.914 -0.202 0.000 2.469 161 V HA -0.311 3.722 4.120 -0.145 0.000 0.251 161 V C 1.304 177.279 176.094 -0.198 0.000 1.064 161 V CA 2.599 64.805 62.300 -0.157 0.000 1.066 161 V CB -0.429 31.336 31.823 -0.097 0.000 0.667 161 V HN -0.098 7.990 8.190 -0.171 0.000 0.461 162 L N -3.144 117.956 121.223 -0.205 0.000 2.093 162 L HA -0.208 4.023 4.340 -0.182 0.000 0.208 162 L C 1.335 178.020 176.870 -0.308 0.000 1.085 162 L CA 2.907 57.620 54.840 -0.212 0.000 0.755 162 L CB -1.430 40.539 42.059 -0.150 0.000 0.904 162 L HN -0.810 7.166 8.230 -0.201 0.134 0.435 163 V N -0.623 119.097 119.914 -0.324 0.000 2.233 163 V HA -0.570 3.413 4.120 -0.229 0.000 0.247 163 V C 1.948 177.861 176.094 -0.302 0.000 1.050 163 V CA 4.146 66.267 62.300 -0.298 0.000 1.010 163 V CB -0.834 30.758 31.823 -0.386 0.000 0.637 163 V HN -0.482 7.384 8.190 -0.354 0.111 0.444 164 S N -0.772 114.733 115.700 -0.325 0.000 2.402 164 S HA -0.423 3.884 4.470 -0.272 0.000 0.233 164 S C 2.063 176.419 174.600 -0.406 0.000 1.030 164 S CA 2.755 60.775 58.200 -0.299 0.000 1.003 164 S CB -0.270 62.790 63.200 -0.235 0.000 0.813 164 S HN -0.690 7.436 8.310 -0.307 0.000 0.477 165 R N 1.050 121.214 120.500 -0.561 0.000 2.080 165 R HA -0.313 3.518 4.340 -0.849 0.000 0.236 165 R C 2.522 177.704 176.300 -1.864 0.000 1.137 165 R CA 3.135 58.572 56.100 -1.104 0.000 0.943 165 R CB -0.278 29.414 30.300 -1.013 0.000 0.846 165 R HN -0.685 7.197 8.270 -0.446 0.120 0.431 166 I N -1.520 118.320 120.570 -1.217 0.000 2.614 166 I HA -0.395 3.303 4.170 -0.786 0.000 0.258 166 I C 1.395 177.262 176.117 -0.416 0.000 1.189 166 I CA 3.058 63.904 61.300 -0.757 0.000 1.462 166 I CB -0.330 37.446 38.000 -0.374 0.000 1.092 166 I HN -0.410 7.295 8.210 -0.841 0.000 0.442 167 A N 0.266 122.921 122.820 -0.275 0.000 1.929 167 A HA -0.333 4.036 4.320 0.081 0.000 0.216 167 A C 1.361 178.917 177.584 -0.048 0.000 1.176 167 A CA 3.023 55.070 52.037 0.017 0.000 0.628 167 A CB -0.923 18.239 19.000 0.270 0.000 0.816 167 A HN -0.386 7.390 8.150 -0.353 0.162 0.444 168 A N -2.197 120.509 122.820 -0.190 0.000 2.016 168 A HA -0.138 4.211 4.320 0.049 0.000 0.217 168 A C 1.980 179.653 177.584 0.148 0.000 1.162 168 A CA 2.593 54.614 52.037 -0.027 0.000 0.662 168 A CB -0.375 18.605 19.000 -0.034 0.000 0.812 168 A HN -0.432 7.482 8.150 -0.394 0.000 0.450 169 W N -3.259 118.012 121.300 -0.049 0.000 2.518 169 W HA -0.064 4.593 4.660 -0.004 0.000 0.273 169 W C 2.193 178.669 176.519 -0.072 0.000 1.247 169 W CA 1.289 58.559 57.345 -0.125 0.000 1.288 169 W CB -0.923 28.276 29.460 -0.435 0.000 1.107 169 W HN -0.470 7.332 8.180 -0.456 0.105 0.586 170 M N -0.331 119.348 119.600 0.131 0.000 2.216 170 M HA -0.230 4.533 4.480 0.470 0.000 0.264 170 M C 2.020 178.435 176.300 0.191 0.000 1.080 170 M CA 3.518 58.927 55.300 0.181 0.000 1.153 170 M CB -0.215 32.343 32.600 -0.069 0.000 1.356 170 M HN -0.397 7.885 8.290 0.028 0.025 0.432 171 A N -2.510 120.396 122.820 0.142 0.000 2.067 171 A HA -0.195 4.222 4.320 0.161 0.000 0.219 171 A C 1.877 179.563 177.584 0.170 0.000 1.158 171 A CA 2.834 54.963 52.037 0.153 0.000 0.661 171 A CB -0.773 18.307 19.000 0.132 0.000 0.801 171 A HN -0.244 7.972 8.150 0.109 0.000 0.452 172 T N 1.829 116.504 114.554 0.202 0.000 2.735 172 T HA -0.242 4.208 4.350 0.167 0.000 0.256 172 T C 1.049 175.892 174.700 0.239 0.000 1.042 172 T CA 4.061 66.288 62.100 0.212 0.000 1.147 172 T CB -0.006 69.014 68.868 0.254 0.000 0.865 172 T HN -0.505 7.834 8.240 0.217 0.031 0.421 173 Y N 2.567 122.944 120.300 0.128 0.000 2.241 173 Y HA -0.374 4.263 4.550 0.145 0.000 0.286 173 Y C 1.493 177.404 175.900 0.019 0.000 1.166 173 Y CA 2.898 61.033 58.100 0.058 0.000 1.203 173 Y CB -0.425 37.976 38.460 -0.098 0.000 0.977 173 Y HN -0.614 7.905 8.280 0.397 0.000 0.529 174 L N -2.480 118.765 121.223 0.036 0.000 2.109 174 L HA -0.378 3.897 4.340 -0.108 0.000 0.207 174 L C 0.664 177.558 176.870 0.041 0.000 1.086 174 L CA 2.782 57.629 54.840 0.012 0.000 0.760 174 L CB 0.098 42.258 42.059 0.168 0.000 0.910 174 L HN -0.438 7.868 8.230 0.164 0.021 0.437 175 N N -4.716 114.031 118.700 0.079 0.000 2.314 175 N HA -0.054 4.790 4.740 0.083 -0.055 0.200 175 N C -0.379 175.149 175.510 0.029 0.000 1.135 175 N CA 1.083 54.178 53.050 0.075 0.000 0.835 175 N CB 0.219 38.766 38.487 0.099 0.000 0.989 175 N HN -0.678 7.673 8.380 0.108 0.094 0.478 176 D N -1.665 118.730 120.400 -0.009 0.000 3.203 176 D HA 0.135 4.737 4.640 -0.063 0.000 0.249 176 D C 0.569 176.753 176.300 -0.193 0.000 1.522 176 D CA 1.542 55.502 54.000 -0.068 0.000 1.248 176 D CB 1.138 41.951 40.800 0.021 0.000 1.126 176 D HN -0.431 7.731 8.370 -0.027 0.192 0.326 177 H N -0.268 118.666 119.070 -0.226 0.000 2.384 177 H HA 0.021 4.530 4.556 -0.078 0.000 0.300 177 H C 1.920 177.119 175.328 -0.214 0.000 1.057 177 H CA 2.724 58.632 56.048 -0.233 0.000 1.370 177 H CB 1.499 31.022 29.762 -0.399 0.000 1.417 177 H HN -0.571 7.654 8.280 -0.091 0.000 0.527 178 L N -3.453 117.635 121.223 -0.225 0.000 2.552 178 L HA -0.156 4.178 4.340 -0.010 0.000 0.227 178 L C 1.298 178.166 176.870 -0.003 0.000 1.146 178 L CA 1.673 56.456 54.840 -0.096 0.000 0.858 178 L CB -0.223 41.733 42.059 -0.171 0.000 0.969 178 L HN -0.428 7.542 8.230 -0.434 0.000 0.451 179 E N 0.701 120.893 120.200 -0.014 0.000 2.028 179 E HA -0.170 4.201 4.350 0.035 0.000 0.190 179 E C -0.837 175.780 176.600 0.029 0.000 0.984 179 E CA 5.019 61.430 56.400 0.019 0.000 0.800 179 E CB -1.440 28.268 29.700 0.014 0.000 0.758 179 E HN 0.223 8.381 8.360 -0.056 0.168 0.448 180 P HA -0.101 4.328 4.420 0.015 0.000 0.237 180 P C -0.689 176.660 177.300 0.082 0.000 1.178 180 P CA 1.522 64.644 63.100 0.036 0.000 0.766 180 P CB -0.328 31.386 31.700 0.022 0.000 0.876 181 W N -2.697 118.544 121.300 -0.099 0.000 2.842 181 W HA 0.116 4.706 4.660 -0.117 0.000 0.267 181 W C 0.265 176.726 176.519 -0.096 0.000 1.219 181 W CA 2.419 59.684 57.345 -0.133 0.000 1.458 181 W CB 1.101 30.431 29.460 -0.216 0.000 1.006 181 W HN -0.573 7.535 8.180 0.175 0.178 0.603 182 I N 0.282 120.876 120.570 0.041 0.000 2.206 182 I HA -0.581 3.634 4.170 0.075 0.000 0.239 182 I C 1.827 177.895 176.117 -0.083 0.000 1.078 182 I CA 3.670 64.954 61.300 -0.027 0.000 1.367 182 I CB 0.555 38.468 38.000 -0.145 0.000 1.078 182 I HN -0.571 7.692 8.210 0.088 0.000 0.413 183 Q N -1.472 118.299 119.800 -0.049 0.000 2.297 183 Q HA -0.401 3.936 4.340 -0.005 0.000 0.208 183 Q C 2.633 178.592 176.000 -0.068 0.000 0.981 183 Q CA 2.959 58.745 55.803 -0.027 0.000 0.876 183 Q CB -0.582 28.159 28.738 0.005 0.000 0.921 183 Q HN -0.634 7.621 8.270 -0.025 0.000 0.446 184 E N -0.381 119.740 120.200 -0.131 0.000 2.070 184 E HA -0.241 4.040 4.350 -0.115 0.000 0.197 184 E C 0.204 176.705 176.600 -0.166 0.000 1.004 184 E CA 2.368 58.663 56.400 -0.175 0.000 0.805 184 E CB 0.151 29.662 29.700 -0.315 0.000 0.744 184 E HN 0.331 8.561 8.360 -0.142 0.044 0.451 185 N N -2.754 115.830 118.700 -0.194 0.000 2.646 185 N HA 0.124 4.814 4.740 -0.084 0.000 0.296 185 N C -1.310 174.167 175.510 -0.056 0.000 1.886 185 N CA -0.483 52.496 53.050 -0.119 0.000 0.855 185 N CB 0.363 38.761 38.487 -0.149 0.000 1.336 185 N HN -0.705 7.526 8.380 -0.248 0.000 0.496 186 G N -0.156 108.625 108.800 -0.032 0.000 2.331 186 G HA2 -0.329 3.651 3.960 0.033 0.000 0.254 186 G HA3 -0.329 3.640 3.960 0.014 0.000 0.254 186 G C 0.291 175.189 174.900 -0.004 0.000 0.879 186 G CA 0.512 45.616 45.100 0.007 0.000 1.287 186 G HN -0.477 7.791 8.290 -0.038 0.000 0.383 187 G N -1.004 107.780 108.800 -0.027 0.000 2.572 187 G HA2 -0.118 3.927 3.960 0.143 0.000 0.216 187 G HA3 -0.118 3.862 3.960 0.033 0.000 0.216 187 G C 0.664 175.426 174.900 -0.230 0.000 1.133 187 G CA 0.674 45.761 45.100 -0.021 0.000 0.791 187 G HN -0.141 8.049 8.290 -0.050 0.070 0.538 188 W N -0.860 120.506 121.300 0.111 0.000 2.574 188 W HA 0.041 4.854 4.660 0.256 0.000 0.282 188 W C 0.507 177.073 176.519 0.079 0.000 1.197 188 W CA 1.188 58.625 57.345 0.152 0.000 1.376 188 W CB 0.732 30.271 29.460 0.131 0.000 1.091 188 W HN -0.656 7.538 8.180 0.082 0.035 0.569 189 D N -1.957 118.585 120.400 0.235 0.000 2.178 189 D HA -0.150 4.545 4.640 0.093 0.000 0.202 189 D C 1.748 178.034 176.300 -0.023 0.000 0.974 189 D CA 3.474 57.527 54.000 0.089 0.000 0.841 189 D CB -0.326 40.508 40.800 0.057 0.000 0.953 189 D HN 0.026 8.529 8.370 0.223 0.000 0.478 190 T N 1.859 116.356 114.554 -0.095 0.000 2.809 190 T HA -0.225 4.020 4.350 -0.175 0.000 0.260 190 T C 1.105 175.576 174.700 -0.383 0.000 1.039 190 T CA 3.917 65.864 62.100 -0.254 0.000 1.141 190 T CB 0.011 68.684 68.868 -0.325 0.000 0.869 190 T HN -0.541 7.645 8.240 -0.063 0.016 0.437 191 F N 2.226 121.843 119.950 -0.555 0.000 2.250 191 F HA -0.272 3.942 4.527 -0.521 0.000 0.301 191 F C 0.883 176.685 175.800 0.002 0.000 1.077 191 F CA 2.949 60.731 58.000 -0.363 0.000 1.348 191 F CB -0.176 38.715 39.000 -0.182 0.000 1.040 191 F HN -0.655 7.363 8.300 -0.294 0.107 0.509 192 V N -0.870 118.735 119.914 -0.515 0.000 2.788 192 V HA -0.348 3.212 4.120 -0.934 0.000 0.251 192 V C 1.010 176.916 176.094 -0.314 0.000 1.068 192 V CA 3.263 65.231 62.300 -0.554 0.000 1.090 192 V CB -0.255 31.425 31.823 -0.237 0.000 0.710 192 V HN -0.592 7.478 8.190 -0.157 0.026 0.467 193 E N -1.913 118.152 120.200 -0.225 0.000 2.208 193 E HA -0.207 4.060 4.350 -0.138 0.000 0.193 193 E C 1.209 177.701 176.600 -0.181 0.000 0.988 193 E CA 2.477 58.779 56.400 -0.163 0.000 0.828 193 E CB -0.188 29.437 29.700 -0.124 0.000 0.763 193 E HN -0.764 7.353 8.360 -0.215 0.114 0.478 194 L N -4.205 116.889 121.223 -0.214 0.000 2.515 194 L HA -0.014 4.174 4.340 -0.253 0.000 0.223 194 L C -0.296 176.270 176.870 -0.506 0.000 1.079 194 L CA 0.404 55.070 54.840 -0.290 0.000 0.857 194 L CB 1.163 43.090 42.059 -0.220 0.000 1.050 194 L HN -0.622 7.448 8.230 -0.222 0.026 0.476 195 Y N -3.545 116.590 120.300 -0.274 0.000 2.699 195 Y HA 0.137 4.639 4.550 -0.081 0.000 0.282 195 Y C -0.210 175.497 175.900 -0.321 0.000 1.058 195 Y CA -1.261 56.700 58.100 -0.232 0.000 1.194 195 Y CB -0.075 38.279 38.460 -0.176 0.000 1.193 195 Y HN -0.596 7.474 8.280 -0.210 0.084 0.562 196 G N -0.730 107.960 108.800 -0.185 0.000 2.466 196 G HA2 -0.326 3.499 3.960 -0.214 0.000 0.279 196 G HA3 -0.326 3.540 3.960 -0.138 0.011 0.279 196 G C -1.037 173.815 174.900 -0.079 0.000 1.410 196 G CA -0.863 44.142 45.100 -0.158 0.000 1.065 196 G HN -0.901 7.210 8.290 -0.197 0.061 0.547 197 N N -0.233 118.429 118.700 -0.062 0.000 2.411 197 N HA -0.308 4.421 4.740 -0.019 0.000 0.265 197 N C -0.132 175.370 175.510 -0.015 0.000 1.266 197 N CA 1.265 54.296 53.050 -0.030 0.000 0.889 197 N CB 0.125 38.592 38.487 -0.034 0.000 1.069 197 N HN 0.245 8.581 8.380 -0.073 0.000 0.476 198 N N -2.827 115.880 118.700 0.012 0.000 2.727 198 N HA -0.387 4.380 4.740 0.045 0.000 0.249 198 N C -0.273 175.240 175.510 0.004 0.000 1.048 198 N CA 1.556 54.619 53.050 0.022 0.000 0.714 198 N CB -1.778 36.716 38.487 0.013 0.000 0.959 198 N HN 0.370 8.766 8.380 0.026 0.000 0.544 199 A N -1.950 120.866 122.820 -0.007 0.000 1.968 199 A HA -0.230 4.048 4.320 -0.068 0.000 0.217 199 A C 0.720 178.269 177.584 -0.059 0.000 1.169 199 A CA 2.715 54.714 52.037 -0.064 0.000 0.638 199 A CB -0.059 18.861 19.000 -0.134 0.000 0.812 199 A HN -0.382 7.770 8.150 0.015 0.007 0.446 200 A N -1.664 121.159 122.820 0.005 0.000 1.865 200 A HA -0.379 3.937 4.320 -0.007 0.000 0.217 200 A C 2.277 179.876 177.584 0.025 0.000 1.191 200 A CA 2.972 55.030 52.037 0.034 0.000 0.623 200 A CB -1.027 18.048 19.000 0.126 0.000 0.826 200 A HN 0.361 8.545 8.150 0.057 0.000 0.444 201 A N -2.837 120.002 122.820 0.032 0.000 2.014 201 A HA -0.174 4.165 4.320 0.032 0.000 0.218 201 A C 1.745 179.335 177.584 0.009 0.000 1.163 201 A CA 2.327 54.380 52.037 0.026 0.000 0.652 201 A CB -0.773 18.246 19.000 0.031 0.000 0.808 201 A HN 0.188 8.362 8.150 0.041 0.000 0.449 202 E N -1.948 118.248 120.200 -0.007 0.000 2.347 202 E HA -0.212 4.134 4.350 -0.007 0.000 0.196 202 E C 1.793 178.377 176.600 -0.026 0.000 1.008 202 E CA 1.909 58.299 56.400 -0.018 0.000 0.852 202 E CB -0.257 29.424 29.700 -0.033 0.000 0.783 202 E HN -0.317 7.902 8.360 -0.009 0.135 0.505 203 S N -1.605 114.075 115.700 -0.032 0.000 2.436 203 S HA -0.157 4.286 4.470 -0.045 0.000 0.228 203 S C 1.269 175.864 174.600 -0.009 0.000 1.014 203 S CA 2.534 60.714 58.200 -0.035 0.000 0.950 203 S CB 0.302 63.473 63.200 -0.048 0.000 0.784 203 S HN -0.363 7.768 8.310 -0.030 0.161 0.504 204 R N -0.718 119.785 120.500 0.005 0.000 2.237 204 R HA 0.110 4.601 4.340 0.020 -0.139 0.195 204 R C 1.065 177.380 176.300 0.025 0.000 0.956 204 R CA 1.604 57.716 56.100 0.019 0.000 1.029 204 R CB 1.053 31.370 30.300 0.028 0.000 0.972 204 R HN -0.672 7.474 8.270 0.005 0.127 0.493 205 K N -1.957 118.454 120.400 0.019 0.000 2.225 205 K HA 0.133 4.477 4.320 0.040 0.000 0.204 205 K C 1.479 178.090 176.600 0.019 0.000 1.047 205 K CA 1.741 58.044 56.287 0.027 0.000 0.970 205 K CB 0.709 33.224 32.500 0.025 0.000 0.939 205 K HN -0.461 7.711 8.250 0.012 0.086 0.472 206 G N -1.397 107.405 108.800 0.004 0.000 2.479 206 G HA2 -0.255 3.687 3.960 0.001 0.000 0.220 206 G HA3 -0.255 4.019 3.960 -0.016 -0.323 0.220 206 G C 0.605 175.497 174.900 -0.014 0.000 1.115 206 G CA 1.488 46.585 45.100 -0.006 0.000 0.757 206 G HN -0.639 7.557 8.290 -0.000 0.094 0.560 207 Q N 0.016 119.806 119.800 -0.016 0.000 1.967 207 Q HA -0.440 3.874 4.340 -0.044 0.000 0.210 207 Q C 1.339 177.298 176.000 -0.069 0.000 1.005 207 Q CA 3.153 58.935 55.803 -0.036 0.000 0.862 207 Q CB 0.204 28.930 28.738 -0.020 0.000 0.939 207 Q HN -0.480 7.738 8.270 -0.008 0.048 0.417 208 E N -4.952 115.217 120.200 -0.051 0.000 3.989 208 E HA -0.575 3.791 4.350 0.026 0.000 0.213 208 E C 1.392 177.669 176.600 -0.537 0.000 1.243 208 E CA 2.582 58.927 56.400 -0.092 0.000 2.156 208 E CB -2.037 27.679 29.700 0.027 0.000 1.852 208 E HN -0.163 8.193 8.360 -0.007 0.000 0.298 209 R N 0.815 120.960 120.500 -0.591 0.000 2.410 209 R HA -0.336 3.121 4.340 -1.471 0.000 0.207 209 R C 1.097 177.060 176.300 -0.561 0.000 1.020 209 R CA 3.120 58.738 56.100 -0.802 0.000 0.796 209 R CB -0.142 29.991 30.300 -0.279 0.000 0.771 209 R HN -0.065 8.012 8.270 -0.297 0.014 0.435 210 L N -5.696 115.385 121.223 -0.236 0.000 2.551 210 L HA -0.021 4.272 4.340 -0.078 0.000 0.228 210 L C 0.897 177.734 176.870 -0.056 0.000 1.153 210 L CA 1.032 55.809 54.840 -0.104 0.000 0.851 210 L CB -1.180 40.847 42.059 -0.054 0.000 0.959 210 L HN 0.057 8.174 8.230 -0.187 0.000 0.451 211 E N -1.049 119.104 120.200 -0.078 0.000 2.016 211 E HA -0.239 4.128 4.350 0.028 0.000 0.190 211 E C 0.466 177.154 176.600 0.147 0.000 0.985 211 E CA 2.233 58.646 56.400 0.023 0.000 0.802 211 E CB 0.272 29.984 29.700 0.020 0.000 0.762 211 E HN -0.154 7.943 8.360 -0.167 0.163 0.448 212 H N -5.283 113.810 119.070 0.037 0.000 1.804 212 H HA -0.045 4.578 4.556 0.112 0.000 0.116 212 H C -1.725 173.760 175.328 0.261 0.000 0.914 212 H CA 1.140 57.265 56.048 0.128 0.000 0.419 212 H CB 1.287 31.103 29.762 0.090 0.000 0.319 212 H HN -0.516 7.789 8.280 0.042 0.000 0.215 213 H N 0.223 119.112 119.070 -0.302 0.000 2.801 213 H HA -0.355 4.067 4.556 -0.223 0.000 0.226 213 H C -1.365 173.569 175.328 -0.656 0.000 0.679 213 H CA 0.501 56.313 56.048 -0.394 0.000 1.495 213 H CB -0.742 28.855 29.762 -0.276 0.000 1.319 213 H HN -0.439 7.911 8.280 0.116 0.000 0.428 214 H N 8.973 127.688 119.070 -0.591 0.000 2.726 214 H HA 0.101 4.374 4.556 -0.471 0.000 0.244 214 H C -0.908 174.239 175.328 -0.302 0.000 1.669 214 H CA -0.365 55.412 56.048 -0.452 0.000 1.293 214 H CB -1.499 28.115 29.762 -0.246 0.000 1.640 214 H HN 0.411 8.562 8.280 -0.215 0.000 0.553 215 H N 0.853 119.679 119.070 -0.407 0.000 3.234 215 H HA 0.226 4.576 4.556 -0.343 0.000 0.253 215 H C -0.525 174.095 175.328 -1.181 0.000 1.171 215 H CA -0.456 55.253 56.048 -0.565 0.000 0.990 215 H CB -0.581 28.997 29.762 -0.307 0.000 2.344 215 H HN -0.347 7.209 8.280 -1.205 0.000 0.713 216 H N -1.134 117.460 119.070 -0.795 0.000 2.457 216 H HA -0.247 4.030 4.556 -0.465 0.000 0.297 216 H C -0.423 174.683 175.328 -0.370 0.000 1.092 216 H CA 1.106 56.824 56.048 -0.549 0.000 1.309 216 H CB -0.302 29.200 29.762 -0.432 0.000 1.382 216 H HN 0.353 8.304 8.280 -0.549 0.000 0.535 217 H N 0.000 118.606 119.070 -0.773 0.000 2.539 217 H HA 0.000 4.308 4.556 -0.413 0.000 0.296 217 H CA 0.000 55.801 56.048 -0.412 0.000 1.023 217 H CB 0.000 29.668 29.762 -0.157 0.000 1.292 217 H HN 0.000 7.421 8.280 -1.369 0.037 0.496