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 2eih_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRAVVMRARG GPEVLEVADL PVPEPGPKEV RVRLKAAALN HLDVWVRKGV DATA SEQUENCE ASPKLPLPHV LGADGSGVVD AVGPGVEGFA PGDEVVINPG LSCGRCERCL DATA SEQUENCE AGEDNLCPRY QILGEHRHGT YAEYVVLPEA NLAPKPKNLS FEEAAAIPLT DATA SEQUENCE FLTAWQMVVD KLGVRPGDDV LVMAAGSGVS VAAIQIAKLF GARVIATAGS DATA SEQUENCE EDKLRRAKAL GADETVNYTH PDWPKEVRRL TGGKGADKVV DHTGALYFEG DATA SEQUENCE VIKATANGGR IAIAGASSGY EGTLPFAHVF YRQLSILGST MASKSRLFPI DATA SEQUENCE LRFVEEGKLK PVVGQVLPLE AAAEGHRLLE ERRVFGKVVL QVG 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.342 176.300 0.070 0.000 1.140 1 M CA 0.000 55.371 55.300 0.118 0.000 0.988 1 M CB 0.000 32.748 32.600 0.247 0.000 1.302 2 R N 1.740 122.271 120.500 0.052 0.000 2.490 2 R HA 0.887 5.227 4.340 0.001 0.000 0.280 2 R C -1.208 175.096 176.300 0.007 0.000 1.077 2 R CA 0.994 57.103 56.100 0.014 0.000 1.065 2 R CB 1.053 31.349 30.300 -0.007 0.000 1.003 2 R HN 1.037 nan 8.270 nan 0.000 0.470 3 A N 2.600 125.416 122.820 -0.007 0.000 2.599 3 A HA 0.454 4.774 4.320 0.001 0.000 0.294 3 A C -1.676 175.897 177.584 -0.020 0.000 1.055 3 A CA -0.772 51.258 52.037 -0.013 0.000 0.683 3 A CB 1.302 20.289 19.000 -0.021 0.000 1.278 3 A HN 0.450 nan 8.150 nan 0.000 0.412 4 V N 1.024 120.943 119.914 0.008 0.000 2.481 4 V HA 0.686 4.807 4.120 0.001 0.000 0.286 4 V C 0.023 176.100 176.094 -0.029 0.000 1.042 4 V CA -0.296 62.016 62.300 0.020 0.000 0.928 4 V CB 1.265 33.149 31.823 0.102 0.000 0.986 4 V HN 0.993 nan 8.190 nan 0.000 0.462 5 V N 5.944 125.819 119.914 -0.065 0.000 3.160 5 V HA 0.641 4.762 4.120 0.001 0.000 0.310 5 V C -0.735 175.311 176.094 -0.081 0.000 1.181 5 V CA -0.960 61.265 62.300 -0.124 0.000 1.047 5 V CB 2.540 34.285 31.823 -0.130 0.000 1.068 5 V HN 0.936 nan 8.190 nan 0.000 0.441 6 M N 3.135 122.694 119.600 -0.070 0.000 2.167 6 M HA 0.636 5.116 4.480 0.001 0.000 0.333 6 M C 0.147 176.447 176.300 0.000 0.000 1.030 6 M CA -0.631 54.653 55.300 -0.026 0.000 0.963 6 M CB 1.849 34.446 32.600 -0.004 0.000 1.589 6 M HN 0.367 nan 8.290 nan 0.000 0.431 7 R N 1.755 122.254 120.500 -0.002 0.000 2.153 7 R HA 0.375 4.716 4.340 0.001 0.000 0.218 7 R C 0.440 176.750 176.300 0.016 0.000 1.072 7 R CA 0.827 56.931 56.100 0.008 0.000 0.990 7 R CB -0.268 30.033 30.300 0.002 0.000 0.889 7 R HN 0.898 nan 8.270 nan 0.000 0.452 8 A N 0.261 123.091 122.820 0.016 0.000 2.567 8 A HA 0.630 4.950 4.320 0.001 0.000 0.289 8 A C -1.017 176.582 177.584 0.026 0.000 1.177 8 A CA -0.737 51.312 52.037 0.020 0.000 0.694 8 A CB 1.154 20.164 19.000 0.016 0.000 1.292 8 A HN 0.079 nan 8.150 nan 0.000 0.425 9 R N 0.339 120.857 120.500 0.029 0.000 2.666 9 R HA 0.470 4.810 4.340 0.001 0.000 0.275 9 R C 0.346 176.670 176.300 0.041 0.000 1.266 9 R CA 0.357 56.479 56.100 0.038 0.000 1.401 9 R CB 0.858 31.180 30.300 0.036 0.000 1.145 9 R HN 0.873 nan 8.270 nan 0.000 0.581 10 G N 0.180 109.004 108.800 0.041 0.000 3.253 10 G HA2 0.479 4.439 3.960 0.001 0.000 0.175 10 G HA3 0.479 4.439 3.960 0.001 0.000 0.175 10 G C -0.108 174.822 174.900 0.051 0.000 1.098 10 G CA -0.289 44.837 45.100 0.042 0.000 0.790 10 G HN 0.420 nan 8.290 nan 0.000 0.648 11 G N -0.379 108.446 108.800 0.041 0.000 2.535 11 G HA2 0.492 4.453 3.960 0.001 0.000 0.282 11 G HA3 0.492 4.453 3.960 0.001 0.000 0.282 11 G C -1.065 173.857 174.900 0.037 0.000 1.350 11 G CA -0.308 44.820 45.100 0.047 0.000 1.039 11 G HN 0.344 nan 8.290 nan 0.000 0.509 12 P HA -0.069 nan 4.420 nan 0.000 0.231 12 P C 1.149 178.427 177.300 -0.036 0.000 1.158 12 P CA 0.946 64.042 63.100 -0.006 0.000 0.763 12 P CB 0.161 31.878 31.700 0.027 0.000 0.805 13 E N 0.642 120.835 120.200 -0.012 0.000 2.358 13 E HA -0.066 4.285 4.350 0.001 0.000 0.195 13 E C 1.781 178.369 176.600 -0.020 0.000 1.010 13 E CA 1.039 57.429 56.400 -0.015 0.000 0.856 13 E CB -1.206 28.492 29.700 -0.003 0.000 0.795 13 E HN 0.263 nan 8.360 nan 0.000 0.504 14 V N -0.403 119.501 119.914 -0.018 0.000 2.970 14 V HA 0.055 4.176 4.120 0.001 0.000 0.260 14 V C 1.435 177.509 176.094 -0.033 0.000 1.100 14 V CA 0.378 62.669 62.300 -0.016 0.000 1.122 14 V CB -0.863 30.959 31.823 -0.002 0.000 0.721 14 V HN 0.053 nan 8.190 nan 0.000 0.483 15 L N 2.289 123.476 121.223 -0.061 0.000 2.385 15 L HA 0.394 4.734 4.340 0.001 0.000 0.281 15 L C 0.350 177.189 176.870 -0.053 0.000 1.106 15 L CA 0.502 55.297 54.840 -0.075 0.000 0.856 15 L CB -0.019 41.956 42.059 -0.139 0.000 1.186 15 L HN 0.431 nan 8.230 nan 0.000 0.453 16 E N 2.510 122.686 120.200 -0.040 0.000 2.299 16 E HA 0.588 4.938 4.350 0.001 0.000 0.260 16 E C -1.166 175.415 176.600 -0.031 0.000 0.944 16 E CA -1.017 55.364 56.400 -0.032 0.000 0.815 16 E CB 2.780 32.465 29.700 -0.024 0.000 1.252 16 E HN 0.189 nan 8.360 nan 0.000 0.418 17 V N 0.952 120.850 119.914 -0.027 0.000 2.398 17 V HA 0.705 4.826 4.120 0.001 0.000 0.286 17 V C -0.147 175.935 176.094 -0.020 0.000 1.026 17 V CA -0.239 62.045 62.300 -0.025 0.000 0.868 17 V CB 0.748 32.555 31.823 -0.027 0.000 0.982 17 V HN 0.811 nan 8.190 nan 0.000 0.443 18 A N 3.914 126.722 122.820 -0.020 0.000 2.535 18 A HA 0.875 5.196 4.320 0.001 0.000 0.296 18 A C -1.678 175.902 177.584 -0.007 0.000 1.248 18 A CA -0.764 51.266 52.037 -0.013 0.000 0.686 18 A CB 1.503 20.495 19.000 -0.014 0.000 1.315 18 A HN 0.724 nan 8.150 nan 0.000 0.460 19 D N -0.205 120.195 120.400 0.000 0.000 2.362 19 D HA 0.658 5.299 4.640 0.001 0.000 0.247 19 D C -0.972 175.336 176.300 0.015 0.000 1.050 19 D CA -0.045 53.961 54.000 0.009 0.000 0.839 19 D CB 1.750 42.556 40.800 0.011 0.000 1.283 19 D HN 0.441 nan 8.370 nan 0.000 0.477 20 L N 2.022 123.260 121.223 0.025 0.000 2.409 20 L HA 0.570 4.911 4.340 0.001 0.000 0.262 20 L C -2.348 174.544 176.870 0.038 0.000 0.992 20 L CA -2.228 52.635 54.840 0.038 0.000 0.817 20 L CB 2.151 44.241 42.059 0.052 0.000 1.350 20 L HN 0.210 nan 8.230 nan 0.000 0.411 21 P HA 0.011 nan 4.420 nan 0.000 0.266 21 P C -0.435 176.867 177.300 0.003 0.000 1.195 21 P CA -0.148 62.957 63.100 0.009 0.000 0.768 21 P CB 0.899 32.602 31.700 0.005 0.000 0.838 22 V N 6.034 125.920 119.914 -0.046 0.000 2.446 22 V HA 0.071 4.191 4.120 0.001 0.000 0.276 22 V C -1.208 174.834 176.094 -0.085 0.000 1.030 22 V CA -0.969 61.267 62.300 -0.108 0.000 1.033 22 V CB -0.116 31.533 31.823 -0.290 0.000 0.993 22 V HN 0.647 nan 8.190 nan 0.000 0.477 23 P HA 0.171 nan 4.420 nan 0.000 0.268 23 P C -0.600 176.674 177.300 -0.045 0.000 1.205 23 P CA -0.201 62.889 63.100 -0.018 0.000 0.771 23 P CB 1.123 32.838 31.700 0.025 0.000 0.858 24 E N 3.249 123.429 120.200 -0.034 0.000 2.191 24 E HA 0.405 4.755 4.350 0.001 0.000 0.274 24 E C -2.179 174.412 176.600 -0.015 0.000 0.948 24 E CA -2.587 53.793 56.400 -0.034 0.000 0.802 24 E CB 0.614 30.295 29.700 -0.033 0.000 1.137 24 E HN 0.348 nan 8.360 nan 0.000 0.397 25 P HA 0.260 nan 4.420 nan 0.000 0.280 25 P C -0.289 177.015 177.300 0.007 0.000 1.244 25 P CA -0.378 62.725 63.100 0.005 0.000 0.784 25 P CB 1.428 33.135 31.700 0.012 0.000 0.913 26 G N 3.086 111.893 108.800 0.012 0.000 2.613 26 G HA2 0.514 4.474 3.960 0.001 0.000 0.303 26 G HA3 0.514 4.474 3.960 0.001 0.000 0.303 26 G C -2.797 172.116 174.900 0.022 0.000 1.312 26 G CA -1.931 43.177 45.100 0.013 0.000 1.036 26 G HN 0.287 nan 8.290 nan 0.000 0.513 27 P HA 0.182 nan 4.420 nan 0.000 0.265 27 P C -0.122 177.200 177.300 0.036 0.000 1.193 27 P CA 0.361 63.477 63.100 0.027 0.000 0.765 27 P CB 0.630 32.343 31.700 0.021 0.000 0.823 28 K N -0.806 119.622 120.400 0.047 0.000 3.472 28 K HA -0.219 4.102 4.320 0.001 0.000 0.315 28 K C 0.041 176.683 176.600 0.071 0.000 1.320 28 K CA 1.401 57.725 56.287 0.062 0.000 0.962 28 K CB -1.653 30.879 32.500 0.055 0.000 1.251 28 K HN 0.606 nan 8.250 nan 0.000 0.443 29 E N -0.768 119.466 120.200 0.057 0.000 2.243 29 E HA 0.648 4.999 4.350 0.001 0.000 0.260 29 E C -0.737 175.891 176.600 0.047 0.000 0.985 29 E CA -1.142 55.287 56.400 0.048 0.000 0.858 29 E CB 2.026 31.745 29.700 0.031 0.000 1.210 29 E HN -0.077 nan 8.360 nan 0.000 0.411 30 V N 1.175 121.101 119.914 0.020 0.000 2.808 30 V HA 0.352 4.472 4.120 0.001 0.000 0.308 30 V C -0.717 175.374 176.094 -0.006 0.000 1.099 30 V CA -0.847 61.455 62.300 0.002 0.000 0.920 30 V CB 2.007 33.793 31.823 -0.062 0.000 1.014 30 V HN 0.552 nan 8.190 nan 0.000 0.425 31 R N 2.773 123.281 120.500 0.014 0.000 2.265 31 R HA 0.768 5.108 4.340 0.001 0.000 0.319 31 R C -1.470 174.862 176.300 0.054 0.000 1.006 31 R CA -0.262 55.862 56.100 0.040 0.000 0.880 31 R CB 1.582 31.908 30.300 0.043 0.000 1.077 31 R HN 0.547 nan 8.270 nan 0.000 0.454 32 V N 4.901 124.851 119.914 0.061 0.000 2.513 32 V HA 0.410 4.531 4.120 0.001 0.000 0.299 32 V C -0.050 176.068 176.094 0.040 0.000 1.035 32 V CA -0.886 61.428 62.300 0.025 0.000 0.889 32 V CB 1.616 33.420 31.823 -0.032 0.000 0.988 32 V HN 0.736 nan 8.190 nan 0.000 0.440 33 R N 4.244 124.714 120.500 -0.049 0.000 2.204 33 R HA 0.486 4.826 4.340 0.001 0.000 0.341 33 R C -0.766 175.352 176.300 -0.304 0.000 1.035 33 R CA -0.501 55.420 56.100 -0.298 0.000 0.887 33 R CB 0.299 30.444 30.300 -0.258 0.000 1.114 33 R HN 0.706 nan 8.270 nan 0.000 0.473 34 L N 4.796 125.836 121.223 -0.305 0.000 2.456 34 L HA 0.051 4.391 4.340 0.001 0.000 0.272 34 L C 1.262 177.950 176.870 -0.303 0.000 1.189 34 L CA 0.204 54.901 54.840 -0.238 0.000 0.846 34 L CB 0.769 42.733 42.059 -0.159 0.000 1.111 34 L HN 0.638 nan 8.230 nan 0.000 0.475 35 K N 1.935 122.142 120.400 -0.322 0.000 2.436 35 K HA 0.388 4.709 4.320 0.001 0.000 0.198 35 K C -0.169 176.312 176.600 -0.199 0.000 1.174 35 K CA 0.283 56.332 56.287 -0.396 0.000 0.951 35 K CB 1.348 33.299 32.500 -0.915 0.000 1.040 35 K HN 0.674 nan 8.250 nan 0.000 0.536 36 A N 0.529 123.282 122.820 -0.112 0.000 2.574 36 A HA 0.754 5.074 4.320 0.001 0.000 0.297 36 A C -1.743 175.819 177.584 -0.037 0.000 1.062 36 A CA -0.479 51.531 52.037 -0.045 0.000 0.686 36 A CB 1.759 20.782 19.000 0.038 0.000 1.285 36 A HN 0.033 nan 8.150 nan 0.000 0.403 37 A N 0.511 123.298 122.820 -0.054 0.000 2.398 37 A HA 0.867 5.187 4.320 0.001 0.000 0.301 37 A C -0.150 177.405 177.584 -0.048 0.000 1.041 37 A CA 0.131 52.146 52.037 -0.036 0.000 0.711 37 A CB 1.177 20.147 19.000 -0.049 0.000 1.240 37 A HN 2.444 nan 8.150 nan 0.000 0.420 38 A N 1.875 124.694 122.820 -0.002 0.000 2.306 38 A HA 0.689 5.010 4.320 0.001 0.000 0.314 38 A C -0.506 177.082 177.584 0.007 0.000 1.164 38 A CA -0.395 51.635 52.037 -0.011 0.000 0.822 38 A CB 0.263 19.267 19.000 0.007 0.000 1.130 38 A HN 0.809 nan 8.150 nan 0.000 0.496 39 L N 2.199 123.400 121.223 -0.036 0.000 2.371 39 L HA 0.345 4.685 4.340 0.001 0.000 0.272 39 L C 0.266 177.068 176.870 -0.113 0.000 1.124 39 L CA 0.685 55.503 54.840 -0.037 0.000 0.816 39 L CB 0.647 42.647 42.059 -0.098 0.000 1.129 39 L HN 0.858 nan 8.230 nan 0.000 0.448 40 N N -0.322 118.299 118.700 -0.131 0.000 2.357 40 N HA 0.318 5.059 4.740 0.001 0.000 0.284 40 N C 0.410 175.746 175.510 -0.290 0.000 1.236 40 N CA -0.728 52.208 53.050 -0.188 0.000 0.774 40 N CB 1.459 39.918 38.487 -0.047 0.000 1.534 40 N HN 0.472 nan 8.380 nan 0.000 0.478 41 H N 0.425 119.382 119.070 -0.187 0.000 2.387 41 H HA -0.102 4.454 4.556 0.001 0.000 0.299 41 H C 1.786 176.804 175.328 -0.515 0.000 1.099 41 H CA 1.048 56.852 56.048 -0.406 0.000 1.315 41 H CB 0.119 29.747 29.762 -0.223 0.000 1.380 41 H HN 0.411 nan 8.280 nan 0.000 0.513 42 L N 1.750 122.973 121.223 0.000 0.000 2.081 42 L HA -0.198 4.142 4.340 0.001 0.000 0.212 42 L C 1.439 178.314 176.870 0.009 0.000 1.080 42 L CA 1.755 56.681 54.840 0.144 0.000 0.754 42 L CB -0.590 41.547 42.059 0.130 0.000 0.893 42 L HN 0.055 nan 8.230 nan 0.000 0.433 43 D N -0.830 119.514 120.400 -0.093 0.000 2.092 43 D HA -0.194 4.447 4.640 0.001 0.000 0.193 43 D C 2.294 178.543 176.300 -0.085 0.000 0.994 43 D CA 1.853 55.806 54.000 -0.078 0.000 0.828 43 D CB -0.555 40.197 40.800 -0.081 0.000 0.963 43 D HN 0.273 nan 8.370 nan 0.000 0.450 44 V N -0.112 119.606 119.914 -0.327 0.000 2.407 44 V HA -0.227 3.894 4.120 0.001 0.000 0.248 44 V C 2.076 178.119 176.094 -0.085 0.000 1.055 44 V CA 1.394 63.523 62.300 -0.286 0.000 1.049 44 V CB -0.791 30.713 31.823 -0.532 0.000 0.662 44 V HN 0.341 nan 8.190 nan 0.000 0.455 45 W N -0.206 121.110 121.300 0.026 0.000 2.333 45 W HA -0.177 4.484 4.660 0.001 0.000 0.316 45 W C 2.419 178.943 176.519 0.008 0.000 1.215 45 W CA 0.890 58.245 57.345 0.017 0.000 1.278 45 W CB -0.704 28.761 29.460 0.007 0.000 1.154 45 W HN 0.024 nan 8.180 nan 0.000 0.486 46 V N 0.632 120.683 119.914 0.228 0.000 2.407 46 V HA -0.285 3.836 4.120 0.001 0.000 0.248 46 V C 2.312 178.466 176.094 0.100 0.000 1.055 46 V CA 1.860 64.223 62.300 0.106 0.000 1.049 46 V CB -0.927 30.919 31.823 0.038 0.000 0.662 46 V HN 0.213 nan 8.190 nan 0.000 0.455 47 R N 0.327 120.899 120.500 0.122 0.000 2.120 47 R HA -0.173 4.168 4.340 0.001 0.000 0.234 47 R C 2.292 178.655 176.300 0.104 0.000 1.123 47 R CA 1.570 57.740 56.100 0.117 0.000 0.975 47 R CB -0.065 30.339 30.300 0.174 0.000 0.866 47 R HN 0.487 nan 8.270 nan 0.000 0.446 48 K N -1.690 118.788 120.400 0.130 0.000 2.186 48 K HA 0.041 4.361 4.320 0.001 0.000 0.202 48 K C 0.999 177.657 176.600 0.097 0.000 1.052 48 K CA 0.856 57.217 56.287 0.123 0.000 0.965 48 K CB 0.365 32.969 32.500 0.174 0.000 0.746 48 K HN 0.447 nan 8.250 nan 0.000 0.457 49 G N 0.331 109.189 108.800 0.097 0.000 2.168 49 G HA2 -0.191 3.770 3.960 0.001 0.000 0.197 49 G HA3 -0.191 3.770 3.960 0.001 0.000 0.197 49 G C 0.660 175.592 174.900 0.054 0.000 0.997 49 G CA 0.087 45.222 45.100 0.059 0.000 0.658 49 G HN 0.087 nan 8.290 nan 0.000 0.513 50 V N -0.116 119.851 119.914 0.087 0.000 3.306 50 V HA 0.549 4.670 4.120 0.001 0.000 0.264 50 V C 1.401 177.499 176.094 0.007 0.000 1.149 50 V CA 1.774 64.099 62.300 0.041 0.000 1.143 50 V CB 0.008 31.861 31.823 0.051 0.000 0.767 50 V HN 1.421 nan 8.190 nan 0.000 0.476 51 A N -1.419 121.428 122.820 0.045 0.000 2.449 51 A HA 0.639 4.959 4.320 0.001 0.000 0.302 51 A C 0.420 177.992 177.584 -0.020 0.000 1.048 51 A CA 0.012 52.057 52.037 0.013 0.000 0.708 51 A CB 1.425 20.462 19.000 0.062 0.000 1.274 51 A HN 0.381 nan 8.150 nan 0.000 0.410 52 S N 0.755 116.432 115.700 -0.039 0.000 3.697 52 S HA -0.105 4.366 4.470 0.001 0.000 0.388 52 S C -2.411 172.163 174.600 -0.042 0.000 0.941 52 S CA 0.731 58.894 58.200 -0.061 0.000 1.247 52 S CB -1.898 61.173 63.200 -0.215 0.000 0.904 52 S HN 0.688 nan 8.310 nan 0.000 0.518 53 P HA 0.307 nan 4.420 nan 0.000 0.273 53 P C 0.368 177.664 177.300 -0.006 0.000 1.250 53 P CA -0.255 62.840 63.100 -0.008 0.000 0.793 53 P CB 0.303 32.003 31.700 -0.001 0.000 1.011 54 K N -2.150 118.247 120.400 -0.005 0.000 3.069 54 K HA -0.213 4.107 4.320 0.001 0.000 0.267 54 K C -0.246 176.351 176.600 -0.005 0.000 1.082 54 K CA 0.155 56.441 56.287 -0.001 0.000 0.782 54 K CB -1.873 30.630 32.500 0.004 0.000 1.230 54 K HN 0.196 nan 8.250 nan 0.000 0.488 55 L N 1.567 122.776 121.223 -0.024 0.000 2.350 55 L HA 0.333 4.673 4.340 0.001 0.000 0.275 55 L C -1.904 174.954 176.870 -0.021 0.000 1.099 55 L CA -1.832 52.978 54.840 -0.050 0.000 0.808 55 L CB 0.372 42.343 42.059 -0.147 0.000 1.149 55 L HN -0.093 nan 8.230 nan 0.000 0.442 56 P HA 0.144 nan 4.420 nan 0.000 0.266 56 P C -1.312 176.043 177.300 0.091 0.000 1.215 56 P CA -0.092 63.034 63.100 0.043 0.000 0.763 56 P CB 0.567 32.293 31.700 0.044 0.000 0.806 57 L N 6.092 127.362 121.223 0.078 0.000 2.331 57 L HA 0.547 4.888 4.340 0.001 0.000 0.275 57 L C -1.414 175.509 176.870 0.090 0.000 1.022 57 L CA -1.814 53.083 54.840 0.095 0.000 0.812 57 L CB 0.255 42.350 42.059 0.059 0.000 1.257 57 L HN 0.354 nan 8.230 nan 0.000 0.435 58 P HA 0.198 nan 4.420 nan 0.000 0.274 58 P C -1.400 175.984 177.300 0.141 0.000 1.231 58 P CA -0.189 62.957 63.100 0.076 0.000 0.790 58 P CB 0.928 32.641 31.700 0.021 0.000 0.951 59 H N 0.076 119.123 119.070 -0.039 0.000 2.572 59 H HA 0.453 5.009 4.556 0.001 0.000 0.359 59 H C -1.220 173.955 175.328 -0.254 0.000 1.134 59 H CA -0.819 55.187 56.048 -0.071 0.000 1.187 59 H CB 1.404 31.156 29.762 -0.016 0.000 1.597 59 H HN 0.028 nan 8.280 nan 0.000 0.524 60 V N 7.137 126.380 119.914 -1.119 0.000 2.333 60 V HA 0.199 4.319 4.120 0.001 0.000 0.274 60 V C 0.304 175.749 176.094 -1.082 0.000 1.028 60 V CA -0.514 61.236 62.300 -0.916 0.000 0.851 60 V CB 0.356 31.750 31.823 -0.715 0.000 1.000 60 V HN 0.628 nan 8.190 nan 0.000 0.456 61 L N 3.744 124.375 121.223 -0.987 0.000 2.479 61 L HA 0.821 5.161 4.340 0.001 0.000 0.248 61 L C 0.838 177.190 176.870 -0.862 0.000 1.205 61 L CA 0.063 54.360 54.840 -0.905 0.000 0.817 61 L CB 0.660 42.104 42.059 -1.025 0.000 1.162 61 L HN 0.836 nan 8.230 nan 0.000 0.486 62 G N -0.312 108.246 108.800 -0.402 0.000 3.220 62 G HA2 0.207 4.168 3.960 0.001 0.000 0.636 62 G HA3 0.207 4.168 3.960 0.001 0.000 0.636 62 G C -0.217 174.711 174.900 0.048 0.000 1.226 62 G CA -0.211 44.912 45.100 0.038 0.000 1.177 62 G HN 0.859 nan 8.290 nan 0.000 0.527 63 A N 1.696 124.554 122.820 0.065 0.000 2.035 63 A HA 0.467 4.787 4.320 0.001 0.000 0.208 63 A C 0.764 178.378 177.584 0.050 0.000 1.206 63 A CA 0.975 53.039 52.037 0.044 0.000 0.773 63 A CB 0.347 19.367 19.000 0.034 0.000 0.878 63 A HN 0.528 nan 8.150 nan 0.000 0.469 64 D N 0.045 120.482 120.400 0.062 0.000 2.198 64 D HA 0.541 5.182 4.640 0.001 0.000 0.245 64 D C -0.131 176.198 176.300 0.047 0.000 1.079 64 D CA 0.627 54.658 54.000 0.050 0.000 0.854 64 D CB 1.543 42.371 40.800 0.047 0.000 1.148 64 D HN 0.314 nan 8.370 nan 0.000 0.456 65 G N -0.087 108.733 108.800 0.034 0.000 2.720 65 G HA2 0.534 4.495 3.960 0.001 0.000 0.295 65 G HA3 0.534 4.495 3.960 0.001 0.000 0.295 65 G C -1.216 173.701 174.900 0.028 0.000 1.437 65 G CA -0.622 44.493 45.100 0.025 0.000 0.886 65 G HN 0.402 nan 8.290 nan 0.000 0.509 66 S N -0.590 115.134 115.700 0.039 0.000 2.588 66 S HA 0.984 5.455 4.470 0.001 0.000 0.275 66 S C 0.107 174.740 174.600 0.056 0.000 1.130 66 S CA 0.270 58.529 58.200 0.097 0.000 0.855 66 S CB 2.115 65.431 63.200 0.193 0.000 1.116 66 S HN 2.479 nan 8.310 nan 0.000 0.472 67 G N 0.075 108.934 108.800 0.099 0.000 2.452 67 G HA2 0.445 4.405 3.960 0.001 0.000 0.224 67 G HA3 0.445 4.405 3.960 0.001 0.000 0.224 67 G C -1.859 173.039 174.900 -0.002 0.000 1.208 67 G CA 0.073 45.090 45.100 -0.140 0.000 0.946 67 G HN 1.476 nan 8.290 nan 0.000 0.481 68 V N 0.447 120.299 119.914 -0.104 0.000 2.555 68 V HA 0.576 4.697 4.120 0.001 0.000 0.302 68 V C 0.494 176.584 176.094 -0.007 0.000 1.038 68 V CA -0.842 61.452 62.300 -0.010 0.000 0.887 68 V CB 1.621 33.427 31.823 -0.028 0.000 0.991 68 V HN 0.700 nan 8.190 nan 0.000 0.434 69 V N 3.272 123.199 119.914 0.023 0.000 2.458 69 V HA -0.010 4.110 4.120 0.001 0.000 0.287 69 V C 1.094 177.217 176.094 0.049 0.000 1.009 69 V CA 0.678 62.990 62.300 0.020 0.000 1.091 69 V CB 0.674 32.525 31.823 0.047 0.000 0.960 69 V HN 1.083 nan 8.190 nan 0.000 0.476 70 D N 3.747 124.186 120.400 0.066 0.000 2.202 70 D HA 0.262 4.903 4.640 0.001 0.000 0.214 70 D C 0.568 176.909 176.300 0.068 0.000 0.967 70 D CA 1.356 55.415 54.000 0.099 0.000 0.871 70 D CB 0.399 41.319 40.800 0.200 0.000 1.020 70 D HN 0.737 nan 8.370 nan 0.000 0.474 71 A N -0.432 122.420 122.820 0.054 0.000 2.604 71 A HA 0.572 4.893 4.320 0.001 0.000 0.295 71 A C -1.209 176.401 177.584 0.043 0.000 1.067 71 A CA -0.466 51.595 52.037 0.041 0.000 0.683 71 A CB 1.318 20.330 19.000 0.019 0.000 1.281 71 A HN 0.238 nan 8.150 nan 0.000 0.407 72 V N -0.033 119.912 119.914 0.052 0.000 2.667 72 V HA 0.958 5.079 4.120 0.001 0.000 0.308 72 V C 0.634 176.756 176.094 0.046 0.000 1.048 72 V CA 0.091 62.429 62.300 0.063 0.000 0.928 72 V CB 1.146 33.026 31.823 0.096 0.000 1.004 72 V HN 1.638 nan 8.190 nan 0.000 0.444 73 G N 2.280 111.107 108.800 0.046 0.000 2.588 73 G HA2 0.566 4.527 3.960 0.001 0.000 0.278 73 G HA3 0.566 4.527 3.960 0.001 0.000 0.278 73 G C -2.484 172.437 174.900 0.035 0.000 1.307 73 G CA -1.368 43.752 45.100 0.033 0.000 1.016 73 G HN 0.809 nan 8.290 nan 0.000 0.503 74 P HA 0.213 nan 4.420 nan 0.000 0.276 74 P C 0.531 177.848 177.300 0.029 0.000 1.243 74 P CA 1.050 64.165 63.100 0.025 0.000 0.768 74 P CB 1.053 32.764 31.700 0.017 0.000 0.856 75 G N 1.760 110.577 108.800 0.029 0.000 2.132 75 G HA2 -0.173 3.787 3.960 0.001 0.000 0.234 75 G HA3 -0.173 3.787 3.960 0.001 0.000 0.234 75 G C -0.095 174.829 174.900 0.039 0.000 0.989 75 G CA -0.253 44.864 45.100 0.029 0.000 0.676 75 G HN 0.504 nan 8.290 nan 0.000 0.522 76 V N 0.771 120.716 119.914 0.052 0.000 2.607 76 V HA 0.646 4.766 4.120 0.001 0.000 0.289 76 V C 0.476 176.603 176.094 0.056 0.000 1.053 76 V CA -0.135 62.212 62.300 0.077 0.000 0.996 76 V CB 1.859 33.749 31.823 0.111 0.000 0.995 76 V HN 0.407 nan 8.190 nan 0.000 0.476 77 E N 2.337 122.562 120.200 0.041 0.000 2.275 77 E HA 0.527 4.877 4.350 0.001 0.000 0.270 77 E C 0.447 176.966 176.600 -0.135 0.000 0.882 77 E CA 0.264 56.648 56.400 -0.026 0.000 0.758 77 E CB 1.896 31.576 29.700 -0.033 0.000 1.195 77 E HN 0.850 nan 8.360 nan 0.000 0.419 78 G N 3.345 112.011 108.800 -0.224 0.000 2.218 78 G HA2 -0.205 3.756 3.960 0.001 0.000 0.216 78 G HA3 -0.205 3.756 3.960 0.001 0.000 0.216 78 G C -0.522 173.912 174.900 -0.776 0.000 0.994 78 G CA 0.049 44.832 45.100 -0.527 0.000 0.637 78 G HN 0.356 nan 8.290 nan 0.000 0.505 79 F N 0.740 120.707 119.950 0.028 0.000 2.599 79 F HA 0.879 5.406 4.527 0.001 0.000 0.311 79 F C 0.296 176.114 175.800 0.029 0.000 1.076 79 F CA -0.583 57.437 58.000 0.033 0.000 0.937 79 F CB 2.290 41.315 39.000 0.041 0.000 1.282 79 F HN 0.577 nan 8.300 nan 0.000 0.460 80 A N 1.787 124.753 122.820 0.244 0.000 2.594 80 A HA 0.869 5.190 4.320 0.001 0.000 0.291 80 A C -3.059 174.600 177.584 0.124 0.000 1.105 80 A CA -1.812 50.310 52.037 0.141 0.000 0.694 80 A CB 1.853 20.907 19.000 0.090 0.000 1.291 80 A HN 0.371 nan 8.150 nan 0.000 0.410 81 P HA 0.303 nan 4.420 nan 0.000 0.268 81 P C 0.901 178.244 177.300 0.072 0.000 1.205 81 P CA 1.815 64.959 63.100 0.074 0.000 0.771 81 P CB 0.951 32.687 31.700 0.058 0.000 0.858 82 G N 1.954 110.796 108.800 0.070 0.000 2.234 82 G HA2 -0.169 3.791 3.960 0.001 0.000 0.235 82 G HA3 -0.169 3.791 3.960 0.001 0.000 0.235 82 G C -0.151 174.805 174.900 0.093 0.000 0.997 82 G CA -0.262 44.881 45.100 0.072 0.000 0.623 82 G HN 0.526 nan 8.290 nan 0.000 0.514 83 D N 2.084 122.549 120.400 0.109 0.000 2.383 83 D HA 0.410 5.050 4.640 0.001 0.000 0.252 83 D C 0.636 177.020 176.300 0.139 0.000 1.166 83 D CA 0.262 54.343 54.000 0.135 0.000 0.879 83 D CB 0.720 41.638 40.800 0.197 0.000 1.164 83 D HN 0.542 nan 8.370 nan 0.000 0.462 84 E N 0.893 121.184 120.200 0.152 0.000 2.289 84 E HA 0.377 4.728 4.350 0.001 0.000 0.278 84 E C -0.006 176.682 176.600 0.148 0.000 1.032 84 E CA -0.562 55.955 56.400 0.196 0.000 0.854 84 E CB 1.334 31.130 29.700 0.160 0.000 1.046 84 E HN 0.263 nan 8.360 nan 0.000 0.409 85 V N -0.560 119.440 119.914 0.144 0.000 3.206 85 V HA 0.721 4.841 4.120 0.001 0.000 0.305 85 V C -0.606 175.530 176.094 0.070 0.000 1.257 85 V CA -1.095 61.252 62.300 0.078 0.000 1.057 85 V CB 1.713 33.522 31.823 -0.023 0.000 1.075 85 V HN 0.440 nan 8.190 nan 0.000 0.443 86 V N -0.564 119.369 119.914 0.032 0.000 2.823 86 V HA 0.720 4.840 4.120 0.001 0.000 0.312 86 V C -0.207 175.880 176.094 -0.012 0.000 1.072 86 V CA -0.825 61.487 62.300 0.021 0.000 0.937 86 V CB 1.598 33.427 31.823 0.010 0.000 1.013 86 V HN 0.923 nan 8.190 nan 0.000 0.430 87 I N 2.896 123.460 120.570 -0.010 0.000 2.581 87 I HA 0.330 4.501 4.170 0.001 0.000 0.288 87 I C 0.173 176.278 176.117 -0.019 0.000 1.047 87 I CA -0.057 61.231 61.300 -0.020 0.000 1.374 87 I CB 0.938 38.934 38.000 -0.007 0.000 1.423 87 I HN 0.702 nan 8.210 nan 0.000 0.549 88 N N 7.343 126.028 118.700 -0.024 0.000 2.621 88 N HA 0.248 4.989 4.740 0.001 0.000 0.237 88 N C -1.755 173.761 175.510 0.010 0.000 0.997 88 N CA -2.118 50.916 53.050 -0.027 0.000 0.918 88 N CB 1.323 39.772 38.487 -0.062 0.000 1.122 88 N HN 0.299 nan 8.380 nan 0.000 0.510 89 P HA -0.065 nan 4.420 nan 0.000 0.227 89 P C 0.483 177.792 177.300 0.016 0.000 1.145 89 P CA 0.448 63.562 63.100 0.023 0.000 0.769 89 P CB -0.018 31.700 31.700 0.030 0.000 0.769 90 G N 0.847 109.697 108.800 0.084 0.000 2.448 90 G HA2 0.397 4.358 3.960 0.001 0.000 0.309 90 G HA3 0.397 4.358 3.960 0.001 0.000 0.309 90 G C -0.623 174.379 174.900 0.171 0.000 1.027 90 G CA -0.296 44.919 45.100 0.191 0.000 1.104 90 G HN 0.020 nan 8.290 nan 0.000 0.428 91 L N 3.176 124.425 121.223 0.044 0.000 2.255 91 L HA 0.480 4.820 4.340 0.001 0.000 0.289 91 L C 0.647 177.620 176.870 0.171 0.000 1.046 91 L CA -0.075 54.811 54.840 0.076 0.000 0.816 91 L CB 1.310 43.376 42.059 0.012 0.000 1.197 91 L HN 0.578 nan 8.230 nan 0.000 0.427 92 S N 0.368 116.180 115.700 0.187 0.000 2.634 92 S HA 0.354 4.825 4.470 0.001 0.000 0.296 92 S C 1.052 175.713 174.600 0.102 0.000 1.104 92 S CA -0.407 57.904 58.200 0.185 0.000 0.920 92 S CB 1.164 64.472 63.200 0.180 0.000 1.111 92 S HN 0.730 nan 8.310 nan 0.000 0.493 93 C N -0.080 119.267 119.300 0.078 0.000 2.457 93 C HA 0.481 4.942 4.460 0.001 0.000 0.278 93 C C 2.078 177.097 174.990 0.049 0.000 1.309 93 C CA 0.672 59.721 59.018 0.052 0.000 1.735 93 C CB -1.906 25.857 27.740 0.038 0.000 1.992 93 C HN 2.216 nan 8.230 nan 0.000 0.493 94 G N 0.632 109.462 108.800 0.050 0.000 2.136 94 G HA2 -0.247 3.714 3.960 0.001 0.000 0.242 94 G HA3 -0.247 3.714 3.960 0.001 0.000 0.242 94 G C 0.848 175.768 174.900 0.034 0.000 0.989 94 G CA 0.643 45.770 45.100 0.045 0.000 0.682 94 G HN 0.695 nan 8.290 nan 0.000 0.522 95 R N -1.080 119.437 120.500 0.029 0.000 2.470 95 R HA 0.246 4.586 4.340 0.001 0.000 0.210 95 R C 1.972 178.283 176.300 0.018 0.000 0.873 95 R CA 0.476 56.589 56.100 0.022 0.000 1.015 95 R CB -0.254 30.058 30.300 0.020 0.000 1.348 95 R HN 0.815 nan 8.270 nan 0.000 0.650 96 C N 1.083 120.393 119.300 0.018 0.000 2.705 96 C HA 0.155 4.616 4.460 0.001 0.000 0.382 96 C C 1.853 176.849 174.990 0.010 0.000 1.322 96 C CA -0.494 58.532 59.018 0.013 0.000 2.290 96 C CB 1.140 28.888 27.740 0.013 0.000 2.650 96 C HN 0.566 nan 8.230 nan 0.000 0.695 97 E N 0.653 120.857 120.200 0.007 0.000 2.130 97 E HA -0.197 4.153 4.350 0.001 0.000 0.196 97 E C 2.291 178.893 176.600 0.004 0.000 0.998 97 E CA 1.586 57.990 56.400 0.006 0.000 0.806 97 E CB -0.034 29.669 29.700 0.005 0.000 0.738 97 E HN 0.670 nan 8.360 nan 0.000 0.459 98 R N 0.023 120.522 120.500 -0.002 0.000 2.073 98 R HA -0.122 4.218 4.340 0.001 0.000 0.234 98 R C 2.579 178.872 176.300 -0.011 0.000 1.134 98 R CA 1.359 57.452 56.100 -0.012 0.000 0.952 98 R CB -1.041 29.244 30.300 -0.025 0.000 0.850 98 R HN 0.345 nan 8.270 nan 0.000 0.433 99 C N 1.244 120.542 119.300 -0.003 0.000 2.436 99 C HA -0.041 4.419 4.460 0.001 0.000 0.277 99 C C 2.771 177.771 174.990 0.016 0.000 1.241 99 C CA 0.510 59.532 59.018 0.007 0.000 1.721 99 C CB -1.020 26.734 27.740 0.023 0.000 2.043 99 C HN 0.402 nan 8.230 nan 0.000 0.472 100 L N 0.765 121.998 121.223 0.017 0.000 2.549 100 L HA -0.085 4.255 4.340 0.001 0.000 0.230 100 L C 2.327 179.208 176.870 0.019 0.000 1.162 100 L CA 1.020 55.872 54.840 0.020 0.000 0.834 100 L CB -0.488 41.582 42.059 0.017 0.000 0.947 100 L HN 0.374 nan 8.230 nan 0.000 0.452 101 A N -0.864 121.965 122.820 0.015 0.000 2.348 101 A HA 0.416 4.736 4.320 0.001 0.000 0.224 101 A C 1.672 179.268 177.584 0.020 0.000 1.227 101 A CA 0.562 52.609 52.037 0.016 0.000 0.885 101 A CB 0.047 19.053 19.000 0.010 0.000 0.933 101 A HN 0.435 nan 8.150 nan 0.000 0.506 102 G N -0.338 108.474 108.800 0.020 0.000 2.141 102 G HA2 -0.229 3.731 3.960 0.001 0.000 0.242 102 G HA3 -0.229 3.731 3.960 0.001 0.000 0.242 102 G C -0.068 174.836 174.900 0.007 0.000 0.982 102 G CA 0.359 45.474 45.100 0.026 0.000 0.662 102 G HN 0.593 nan 8.290 nan 0.000 0.527 103 E N 1.180 121.372 120.200 -0.014 0.000 3.012 103 E HA 0.187 4.537 4.350 0.001 0.000 0.228 103 E C 1.271 177.809 176.600 -0.103 0.000 1.184 103 E CA 0.150 56.521 56.400 -0.049 0.000 1.407 103 E CB 0.179 29.857 29.700 -0.036 0.000 1.438 103 E HN 0.639 nan 8.360 nan 0.000 0.435 104 D N 0.696 121.029 120.400 -0.111 0.000 2.219 104 D HA -0.236 4.405 4.640 0.001 0.000 0.205 104 D C 1.008 177.006 176.300 -0.502 0.000 0.970 104 D CA 0.902 54.808 54.000 -0.156 0.000 0.851 104 D CB -0.163 40.617 40.800 -0.032 0.000 0.943 104 D HN 0.439 nan 8.370 nan 0.000 0.488 105 N N 0.169 118.478 118.700 -0.651 0.000 2.550 105 N HA -0.080 4.661 4.740 0.001 0.000 0.186 105 N C 1.294 176.378 175.510 -0.710 0.000 1.110 105 N CA -0.003 52.291 53.050 -1.261 0.000 0.912 105 N CB 0.090 38.241 38.487 -0.560 0.000 0.968 105 N HN 0.088 nan 8.380 nan 0.000 0.448 106 L N 0.657 121.663 121.223 -0.361 0.000 2.693 106 L HA 0.222 4.562 4.340 0.001 0.000 0.235 106 L C 0.558 177.373 176.870 -0.092 0.000 1.127 106 L CA -0.261 54.485 54.840 -0.157 0.000 0.914 106 L CB -0.694 41.312 42.059 -0.088 0.000 1.193 106 L HN 0.366 nan 8.230 nan 0.000 0.502 107 C N 3.244 122.476 119.300 -0.114 0.000 2.657 107 C HA 0.141 4.601 4.460 0.001 0.000 0.420 107 C C -0.027 174.992 174.990 0.049 0.000 1.323 107 C CA -0.839 58.174 59.018 -0.009 0.000 1.894 107 C CB 0.622 28.380 27.740 0.031 0.000 2.681 107 C HN 0.240 nan 8.230 nan 0.000 0.613 108 P HA -0.042 nan 4.420 nan 0.000 0.230 108 P C 0.603 177.928 177.300 0.041 0.000 1.158 108 P CA 1.251 64.373 63.100 0.037 0.000 0.769 108 P CB -0.038 31.673 31.700 0.018 0.000 0.807 109 R N -1.759 118.776 120.500 0.058 0.000 2.546 109 R HA 0.170 4.511 4.340 0.001 0.000 0.320 109 R C 0.278 176.627 176.300 0.082 0.000 1.021 109 R CA -0.570 55.551 56.100 0.034 0.000 1.088 109 R CB -0.236 30.077 30.300 0.022 0.000 1.278 109 R HN 0.213 nan 8.270 nan 0.000 0.557 110 Y N 2.467 122.755 120.300 -0.019 0.000 2.721 110 Y HA -0.121 4.430 4.550 0.001 0.000 0.329 110 Y C -0.127 175.781 175.900 0.013 0.000 1.211 110 Y CA 0.625 58.730 58.100 0.009 0.000 1.512 110 Y CB 0.407 38.885 38.460 0.030 0.000 1.249 110 Y HN 0.072 nan 8.280 nan 0.000 0.549 111 Q N 6.686 126.295 119.800 -0.318 0.000 2.289 111 Q HA 0.420 4.761 4.340 0.001 0.000 0.270 111 Q C -1.266 174.560 176.000 -0.289 0.000 1.038 111 Q CA -0.822 54.873 55.803 -0.180 0.000 0.812 111 Q CB 2.660 31.377 28.738 -0.035 0.000 1.300 111 Q HN 0.672 nan 8.270 nan 0.000 0.427 112 I N 2.367 122.830 120.570 -0.179 0.000 2.396 112 I HA 0.208 4.379 4.170 0.001 0.000 0.292 112 I C 0.291 176.388 176.117 -0.034 0.000 0.999 112 I CA -0.680 60.523 61.300 -0.161 0.000 1.310 112 I CB 0.855 38.784 38.000 -0.120 0.000 1.404 112 I HN 0.431 nan 8.210 nan 0.000 0.496 113 L N 5.537 126.751 121.223 -0.015 0.000 2.543 113 L HA -0.016 4.325 4.340 0.001 0.000 0.285 113 L C 1.380 178.269 176.870 0.031 0.000 1.236 113 L CA 1.103 55.958 54.840 0.025 0.000 0.871 113 L CB 0.318 42.391 42.059 0.024 0.000 1.121 113 L HN 1.033 nan 8.230 nan 0.000 0.501 114 G N 2.242 111.086 108.800 0.072 0.000 2.184 114 G HA2 -0.343 3.618 3.960 0.001 0.000 0.264 114 G HA3 -0.343 3.618 3.960 0.001 0.000 0.264 114 G C 0.827 175.846 174.900 0.199 0.000 0.975 114 G CA 0.728 45.881 45.100 0.089 0.000 0.642 114 G HN 0.784 nan 8.290 nan 0.000 0.536 115 E N -1.193 119.011 120.200 0.008 0.000 2.162 115 E HA 0.089 4.439 4.350 0.001 0.000 0.193 115 E C 1.906 178.188 176.600 -0.530 0.000 0.953 115 E CA 0.431 56.672 56.400 -0.265 0.000 0.849 115 E CB 0.200 29.674 29.700 -0.376 0.000 0.810 115 E HN 0.642 nan 8.360 nan 0.000 0.470 116 H N -0.549 118.504 119.070 -0.029 0.000 2.800 116 H HA 0.227 4.784 4.556 0.001 0.000 0.257 116 H C 0.456 175.785 175.328 0.003 0.000 0.967 116 H CA 0.241 56.252 56.048 -0.062 0.000 1.192 116 H CB 0.741 30.476 29.762 -0.044 0.000 1.441 116 H HN 0.068 nan 8.280 nan 0.000 0.461 117 R N -0.047 120.582 120.500 0.214 0.000 2.930 117 R HA 0.378 4.719 4.340 0.001 0.000 0.257 117 R C -0.711 175.808 176.300 0.365 0.000 1.107 117 R CA -0.797 55.429 56.100 0.210 0.000 0.999 117 R CB 0.967 31.327 30.300 0.101 0.000 1.209 117 R HN 0.059 nan 8.270 nan 0.000 0.486 118 H N -0.713 118.427 119.070 0.116 0.000 3.034 118 H HA 0.059 4.616 4.556 0.001 0.000 0.324 118 H C 0.533 175.834 175.328 -0.045 0.000 1.015 118 H CA 0.175 56.205 56.048 -0.030 0.000 1.429 118 H CB 0.890 30.636 29.762 -0.027 0.000 1.429 118 H HN 0.747 nan 8.280 nan 0.000 0.585 119 G N 0.703 109.475 108.800 -0.045 0.000 2.882 119 G HA2 0.012 3.973 3.960 0.001 0.000 0.164 119 G HA3 0.012 3.973 3.960 0.001 0.000 0.164 119 G C 0.997 175.906 174.900 0.015 0.000 1.429 119 G CA 0.079 45.165 45.100 -0.024 0.000 1.059 119 G HN 0.630 nan 8.290 nan 0.000 0.581 120 T N -2.587 112.006 114.554 0.066 0.000 3.144 120 T HA 0.116 4.467 4.350 0.001 0.000 0.249 120 T C 0.546 175.360 174.700 0.190 0.000 1.089 120 T CA 0.161 62.327 62.100 0.110 0.000 0.989 120 T CB -0.252 68.675 68.868 0.098 0.000 0.992 120 T HN 0.202 nan 8.240 nan 0.000 0.540 121 Y N 2.638 122.887 120.300 -0.085 0.000 2.706 121 Y HA 0.680 5.231 4.550 0.001 0.000 0.362 121 Y C 0.969 176.809 175.900 -0.100 0.000 1.107 121 Y CA -1.689 56.354 58.100 -0.095 0.000 1.477 121 Y CB -1.219 37.170 38.460 -0.118 0.000 1.326 121 Y HN 0.505 nan 8.280 nan 0.000 0.499 122 A N -0.956 121.895 122.820 0.052 0.000 2.564 122 A HA 0.540 4.860 4.320 0.001 0.000 0.288 122 A C 0.746 178.300 177.584 -0.050 0.000 1.164 122 A CA -0.708 51.333 52.037 0.007 0.000 0.712 122 A CB 1.029 20.047 19.000 0.030 0.000 1.303 122 A HN 0.273 nan 8.150 nan 0.000 0.418 123 E N -1.008 119.149 120.200 -0.073 0.000 2.358 123 E HA 0.048 4.398 4.350 0.001 0.000 0.195 123 E C -0.913 175.389 176.600 -0.495 0.000 1.010 123 E CA 1.075 57.315 56.400 -0.266 0.000 0.856 123 E CB 0.049 29.601 29.700 -0.247 0.000 0.795 123 E HN 0.538 nan 8.360 nan 0.000 0.504 124 Y N -1.081 119.205 120.300 -0.024 0.000 2.553 124 Y HA 0.521 5.072 4.550 0.001 0.000 0.347 124 Y C -0.523 175.374 175.900 -0.005 0.000 1.019 124 Y CA -1.084 57.004 58.100 -0.020 0.000 1.032 124 Y CB 2.328 40.779 38.460 -0.014 0.000 1.284 124 Y HN -0.301 nan 8.280 nan 0.000 0.466 125 V N 2.048 122.063 119.914 0.169 0.000 3.077 125 V HA 0.693 4.814 4.120 0.001 0.000 0.299 125 V C -1.971 174.167 176.094 0.074 0.000 1.276 125 V CA -0.624 61.736 62.300 0.100 0.000 0.993 125 V CB 2.267 34.125 31.823 0.059 0.000 1.076 125 V HN 0.545 nan 8.190 nan 0.000 0.434 126 V N 6.335 126.281 119.914 0.053 0.000 2.628 126 V HA 0.832 4.953 4.120 0.001 0.000 0.306 126 V C -0.558 175.548 176.094 0.020 0.000 1.045 126 V CA -0.436 61.882 62.300 0.030 0.000 0.905 126 V CB 1.496 33.333 31.823 0.024 0.000 0.997 126 V HN 1.032 nan 8.190 nan 0.000 0.436 127 L N 2.422 123.649 121.223 0.007 0.000 2.775 127 L HA 0.746 5.087 4.340 0.001 0.000 0.263 127 L C -3.020 173.856 176.870 0.010 0.000 1.017 127 L CA -1.874 52.971 54.840 0.008 0.000 0.891 127 L CB 1.758 43.817 42.059 0.001 0.000 1.482 127 L HN 0.366 nan 8.230 nan 0.000 0.410 128 P HA 0.068 nan 4.420 nan 0.000 0.267 128 P C 0.153 177.492 177.300 0.066 0.000 1.205 128 P CA 0.103 63.234 63.100 0.051 0.000 0.765 128 P CB 0.808 32.544 31.700 0.059 0.000 0.828 129 E N 3.230 123.498 120.200 0.113 0.000 2.208 129 E HA -0.272 4.078 4.350 0.001 0.000 0.202 129 E C 1.612 178.385 176.600 0.289 0.000 1.014 129 E CA 1.652 58.190 56.400 0.230 0.000 0.819 129 E CB -0.870 29.050 29.700 0.366 0.000 0.735 129 E HN 0.468 nan 8.360 nan 0.000 0.469 130 A N 1.244 124.182 122.820 0.197 0.000 2.121 130 A HA -0.112 4.208 4.320 0.001 0.000 0.218 130 A C 1.545 179.225 177.584 0.160 0.000 1.154 130 A CA 1.102 53.257 52.037 0.195 0.000 0.679 130 A CB -0.544 18.541 19.000 0.143 0.000 0.795 130 A HN 0.358 nan 8.150 nan 0.000 0.458 131 N N -1.123 117.637 118.700 0.100 0.000 2.268 131 N HA 0.238 4.978 4.740 0.001 0.000 0.204 131 N C -1.071 174.440 175.510 0.001 0.000 1.124 131 N CA -0.256 52.822 53.050 0.046 0.000 0.838 131 N CB 0.362 38.868 38.487 0.031 0.000 0.994 131 N HN 0.216 nan 8.380 nan 0.000 0.489 132 L N 1.013 122.243 121.223 0.013 0.000 2.346 132 L HA 0.669 5.009 4.340 0.001 0.000 0.276 132 L C -0.826 176.123 176.870 0.132 0.000 1.006 132 L CA -0.739 54.038 54.840 -0.105 0.000 0.817 132 L CB 1.667 43.370 42.059 -0.595 0.000 1.272 132 L HN -0.123 nan 8.230 nan 0.000 0.421 133 A N 5.236 128.113 122.820 0.095 0.000 2.449 133 A HA 0.889 5.209 4.320 0.001 0.000 0.302 133 A C -2.805 174.895 177.584 0.193 0.000 1.048 133 A CA -1.443 50.728 52.037 0.224 0.000 0.708 133 A CB 1.623 20.658 19.000 0.059 0.000 1.274 133 A HN 0.456 nan 8.150 nan 0.000 0.410 134 P HA 0.085 nan 4.420 nan 0.000 0.267 134 P C -0.691 176.663 177.300 0.090 0.000 1.209 134 P CA 0.025 63.230 63.100 0.175 0.000 0.763 134 P CB 0.642 32.441 31.700 0.164 0.000 0.816 135 K N 6.323 126.757 120.400 0.057 0.000 2.368 135 K HA 0.213 4.534 4.320 0.001 0.000 0.282 135 K C -1.965 174.615 176.600 -0.033 0.000 1.035 135 K CA -1.680 54.605 56.287 -0.003 0.000 0.973 135 K CB -0.024 32.461 32.500 -0.025 0.000 0.957 135 K HN 0.324 nan 8.250 nan 0.000 0.474 136 P HA 0.011 nan 4.420 nan 0.000 0.268 136 P C -0.585 176.663 177.300 -0.087 0.000 1.205 136 P CA -0.021 63.046 63.100 -0.056 0.000 0.771 136 P CB 0.849 32.515 31.700 -0.056 0.000 0.858 137 K N 1.688 122.047 120.400 -0.070 0.000 2.211 137 K HA -0.089 4.231 4.320 0.001 0.000 0.203 137 K C 1.466 178.012 176.600 -0.090 0.000 1.050 137 K CA 1.123 57.359 56.287 -0.084 0.000 0.945 137 K CB -0.217 32.251 32.500 -0.053 0.000 0.732 137 K HN 0.541 nan 8.250 nan 0.000 0.451 138 N N 1.261 119.918 118.700 -0.071 0.000 2.434 138 N HA -0.047 4.694 4.740 0.001 0.000 0.196 138 N C -0.174 175.291 175.510 -0.074 0.000 1.183 138 N CA 0.353 53.367 53.050 -0.061 0.000 0.849 138 N CB 0.023 38.487 38.487 -0.039 0.000 0.992 138 N HN 0.107 nan 8.380 nan 0.000 0.460 139 L N 0.343 121.499 121.223 -0.111 0.000 2.354 139 L HA 0.378 4.718 4.340 0.001 0.000 0.264 139 L C 0.344 177.101 176.870 -0.189 0.000 1.008 139 L CA -1.069 53.698 54.840 -0.121 0.000 0.819 139 L CB 2.031 44.021 42.059 -0.115 0.000 1.339 139 L HN 0.035 nan 8.230 nan 0.000 0.420 140 S N -0.132 115.481 115.700 -0.144 0.000 2.652 140 S HA 0.338 4.808 4.470 0.001 0.000 0.270 140 S C 0.890 175.383 174.600 -0.178 0.000 1.243 140 S CA -0.422 57.681 58.200 -0.161 0.000 0.999 140 S CB 0.745 63.919 63.200 -0.043 0.000 0.973 140 S HN 0.412 nan 8.310 nan 0.000 0.544 141 F N 1.156 121.093 119.950 -0.021 0.000 2.126 141 F HA -0.027 4.500 4.527 0.001 0.000 0.299 141 F C 2.442 178.226 175.800 -0.028 0.000 1.096 141 F CA 1.883 59.867 58.000 -0.026 0.000 1.255 141 F CB -0.924 38.056 39.000 -0.032 0.000 0.997 141 F HN 0.607 nan 8.300 nan 0.000 0.479 142 E N 0.307 120.597 120.200 0.150 0.000 2.023 142 E HA -0.212 4.138 4.350 0.001 0.000 0.196 142 E C 2.109 178.734 176.600 0.040 0.000 1.003 142 E CA 1.741 58.185 56.400 0.072 0.000 0.809 142 E CB -0.475 29.252 29.700 0.045 0.000 0.755 142 E HN 0.408 nan 8.360 nan 0.000 0.449 143 E N 0.148 120.358 120.200 0.017 0.000 2.070 143 E HA -0.268 4.083 4.350 0.001 0.000 0.197 143 E C 2.046 178.638 176.600 -0.012 0.000 1.004 143 E CA 1.108 57.508 56.400 -0.001 0.000 0.805 143 E CB -0.240 29.448 29.700 -0.022 0.000 0.744 143 E HN 0.294 nan 8.360 nan 0.000 0.451 144 A N 1.463 124.270 122.820 -0.023 0.000 1.883 144 A HA -0.185 4.135 4.320 0.001 0.000 0.217 144 A C 2.431 180.020 177.584 0.008 0.000 1.186 144 A CA 1.927 53.948 52.037 -0.026 0.000 0.624 144 A CB -0.840 18.142 19.000 -0.031 0.000 0.822 144 A HN 0.321 nan 8.150 nan 0.000 0.444 145 A N -0.362 122.483 122.820 0.042 0.000 1.978 145 A HA 0.133 4.454 4.320 0.001 0.000 0.220 145 A C 2.287 179.895 177.584 0.039 0.000 1.170 145 A CA 1.997 54.060 52.037 0.043 0.000 0.636 145 A CB -0.829 18.198 19.000 0.045 0.000 0.810 145 A HN 1.194 nan 8.150 nan 0.000 0.448 146 A N -0.985 121.859 122.820 0.040 0.000 2.235 146 A HA 0.287 4.607 4.320 0.001 0.000 0.208 146 A C 1.788 179.445 177.584 0.122 0.000 1.172 146 A CA 0.668 52.742 52.037 0.062 0.000 0.786 146 A CB -0.473 18.562 19.000 0.057 0.000 0.804 146 A HN 0.520 nan 8.150 nan 0.000 0.479 147 I N -0.286 120.332 120.570 0.079 0.000 2.260 147 I HA -0.028 4.143 4.170 0.001 0.000 0.237 147 I C -0.577 175.672 176.117 0.220 0.000 1.075 147 I CA 0.284 61.646 61.300 0.103 0.000 1.376 147 I CB -1.252 36.660 38.000 -0.148 0.000 1.107 147 I HN 0.109 nan 8.210 nan 0.000 0.420 148 P HA -0.286 nan 4.420 nan 0.000 0.211 148 P C 1.739 179.121 177.300 0.138 0.000 0.948 148 P CA 1.518 64.675 63.100 0.094 0.000 1.010 148 P CB -0.131 31.593 31.700 0.040 0.000 0.737 149 L N -0.716 120.573 121.223 0.110 0.000 1.978 149 L HA -0.199 4.141 4.340 0.001 0.000 0.218 149 L C 2.304 179.244 176.870 0.116 0.000 1.075 149 L CA 3.360 58.264 54.840 0.106 0.000 0.767 149 L CB -2.188 39.919 42.059 0.080 0.000 0.890 149 L HN 0.220 nan 8.230 nan 0.000 0.434 150 T N -3.581 111.038 114.554 0.108 0.000 2.821 150 T HA -0.180 4.170 4.350 0.001 0.000 0.267 150 T C 1.926 176.617 174.700 -0.015 0.000 1.046 150 T CA 1.188 63.308 62.100 0.034 0.000 1.139 150 T CB -0.861 67.986 68.868 -0.035 0.000 0.871 150 T HN 0.197 nan 8.240 nan 0.000 0.454 151 F N 0.937 120.930 119.950 0.071 0.000 2.146 151 F HA 0.153 4.681 4.527 0.001 0.000 0.298 151 F C 2.195 178.090 175.800 0.158 0.000 1.096 151 F CA 0.416 58.485 58.000 0.114 0.000 1.275 151 F CB -0.488 38.575 39.000 0.104 0.000 1.008 151 F HN 0.074 nan 8.300 nan 0.000 0.480 152 L N -0.116 121.261 121.223 0.257 0.000 1.989 152 L HA -0.220 4.120 4.340 0.001 0.000 0.211 152 L C 2.481 179.471 176.870 0.201 0.000 1.071 152 L CA 2.033 56.989 54.840 0.194 0.000 0.749 152 L CB -1.808 40.327 42.059 0.127 0.000 0.890 152 L HN 0.114 nan 8.230 nan 0.000 0.431 153 T N -0.327 114.313 114.554 0.144 0.000 2.746 153 T HA -0.165 4.186 4.350 0.001 0.000 0.267 153 T C 1.840 176.591 174.700 0.084 0.000 1.039 153 T CA 1.349 63.517 62.100 0.113 0.000 1.142 153 T CB -0.294 68.631 68.868 0.095 0.000 0.866 153 T HN 0.421 nan 8.240 nan 0.000 0.444 154 A N 0.568 123.413 122.820 0.042 0.000 2.014 154 A HA -0.012 4.308 4.320 0.001 0.000 0.218 154 A C 2.068 179.657 177.584 0.008 0.000 1.163 154 A CA 0.650 52.671 52.037 -0.028 0.000 0.652 154 A CB -0.748 18.155 19.000 -0.162 0.000 0.808 154 A HN 0.706 nan 8.150 nan 0.000 0.449 155 W N 0.703 121.977 121.300 -0.043 0.000 2.407 155 W HA -0.149 4.512 4.660 0.001 0.000 0.305 155 W C 2.083 178.569 176.519 -0.055 0.000 1.196 155 W CA 1.833 59.156 57.345 -0.035 0.000 1.311 155 W CB -0.544 28.949 29.460 0.056 0.000 1.135 155 W HN 0.562 nan 8.180 nan 0.000 0.514 156 Q N 0.205 120.160 119.800 0.258 0.000 2.061 156 Q HA -0.248 4.092 4.340 0.001 0.000 0.204 156 Q C 2.473 178.474 176.000 0.002 0.000 0.984 156 Q CA 2.529 58.422 55.803 0.150 0.000 0.846 156 Q CB -0.426 28.394 28.738 0.136 0.000 0.902 156 Q HN 0.229 nan 8.270 nan 0.000 0.421 157 M N -0.541 119.051 119.600 -0.014 0.000 2.065 157 M HA -0.197 4.283 4.480 0.001 0.000 0.259 157 M C 2.221 178.440 176.300 -0.135 0.000 1.071 157 M CA 1.491 56.760 55.300 -0.051 0.000 1.109 157 M CB -0.345 32.237 32.600 -0.030 0.000 1.313 157 M HN 0.140 nan 8.290 nan 0.000 0.408 158 V N -0.422 119.356 119.914 -0.227 0.000 2.307 158 V HA -0.163 3.957 4.120 0.001 0.000 0.245 158 V C 2.239 178.029 176.094 -0.506 0.000 1.045 158 V CA 1.410 63.499 62.300 -0.351 0.000 1.024 158 V CB -0.532 31.027 31.823 -0.441 0.000 0.651 158 V HN 0.283 nan 8.190 nan 0.000 0.449 159 V N -0.228 119.276 119.914 -0.684 0.000 2.374 159 V HA -0.083 4.037 4.120 0.001 0.000 0.241 159 V C 2.120 178.035 176.094 -0.299 0.000 1.034 159 V CA 1.770 63.624 62.300 -0.744 0.000 1.037 159 V CB -0.512 30.599 31.823 -1.186 0.000 0.682 159 V HN 0.491 nan 8.190 nan 0.000 0.463 160 D N -0.023 120.279 120.400 -0.163 0.000 2.162 160 D HA -0.070 4.570 4.640 0.001 0.000 0.205 160 D C 2.123 178.404 176.300 -0.032 0.000 0.964 160 D CA 1.003 54.987 54.000 -0.027 0.000 0.847 160 D CB 0.137 40.973 40.800 0.059 0.000 0.988 160 D HN 0.217 nan 8.370 nan 0.000 0.480 161 K N 0.268 120.640 120.400 -0.048 0.000 2.128 161 K HA 0.183 4.504 4.320 0.001 0.000 0.202 161 K C 2.086 178.661 176.600 -0.043 0.000 1.050 161 K CA 0.307 56.576 56.287 -0.030 0.000 0.966 161 K CB -0.009 32.482 32.500 -0.016 0.000 0.759 161 K HN 0.024 nan 8.250 nan 0.000 0.454 162 L N -0.721 120.455 121.223 -0.078 0.000 2.477 162 L HA 0.194 4.534 4.340 0.001 0.000 0.220 162 L C 0.724 177.547 176.870 -0.079 0.000 1.106 162 L CA 0.333 55.129 54.840 -0.073 0.000 0.851 162 L CB -0.156 41.849 42.059 -0.090 0.000 0.994 162 L HN 0.402 nan 8.230 nan 0.000 0.462 163 G N 1.501 110.239 108.800 -0.102 0.000 2.356 163 G HA2 -0.254 3.706 3.960 0.001 0.000 0.296 163 G HA3 -0.254 3.706 3.960 0.001 0.000 0.296 163 G C 0.258 175.117 174.900 -0.067 0.000 1.022 163 G CA 0.160 45.215 45.100 -0.074 0.000 0.961 163 G HN 0.115 nan 8.290 nan 0.000 0.510 164 V N 0.665 120.497 119.914 -0.136 0.000 2.788 164 V HA 0.431 4.552 4.120 0.001 0.000 0.307 164 V C 1.060 177.174 176.094 0.033 0.000 1.069 164 V CA 1.042 63.289 62.300 -0.089 0.000 1.173 164 V CB 0.572 32.290 31.823 -0.175 0.000 0.925 164 V HN 0.894 nan 8.190 nan 0.000 0.492 165 R N 4.502 125.036 120.500 0.056 0.000 2.781 165 R HA 0.576 4.917 4.340 0.001 0.000 0.269 165 R C -3.129 173.204 176.300 0.056 0.000 1.025 165 R CA -2.114 54.042 56.100 0.093 0.000 0.914 165 R CB 1.426 31.764 30.300 0.063 0.000 1.236 165 R HN 0.367 nan 8.270 nan 0.000 0.465 166 P HA -0.027 nan 4.420 nan 0.000 0.266 166 P C 0.470 177.779 177.300 0.014 0.000 1.195 166 P CA 1.454 64.566 63.100 0.021 0.000 0.768 166 P CB 0.819 32.522 31.700 0.005 0.000 0.838 167 G N 2.151 110.957 108.800 0.010 0.000 2.279 167 G HA2 -0.171 3.789 3.960 0.001 0.000 0.223 167 G HA3 -0.171 3.789 3.960 0.001 0.000 0.223 167 G C -0.100 174.803 174.900 0.004 0.000 1.015 167 G CA -0.224 44.879 45.100 0.006 0.000 0.621 167 G HN 0.528 nan 8.290 nan 0.000 0.506 168 D N 2.188 122.591 120.400 0.005 0.000 2.414 168 D HA 0.398 5.038 4.640 0.001 0.000 0.242 168 D C -0.293 176.006 176.300 -0.002 0.000 1.129 168 D CA 0.250 54.250 54.000 -0.001 0.000 0.885 168 D CB 0.758 41.555 40.800 -0.004 0.000 1.198 168 D HN 0.223 nan 8.370 nan 0.000 0.437 169 D N 1.424 121.822 120.400 -0.004 0.000 2.396 169 D HA 0.177 4.818 4.640 0.001 0.000 0.225 169 D C -0.410 175.888 176.300 -0.002 0.000 1.121 169 D CA -0.289 53.711 54.000 -0.001 0.000 0.853 169 D CB 1.335 42.135 40.800 0.000 0.000 1.043 169 D HN -0.044 nan 8.370 nan 0.000 0.500 170 V N 3.644 123.556 119.914 -0.003 0.000 2.394 170 V HA 0.231 4.351 4.120 0.001 0.000 0.282 170 V C 0.051 176.149 176.094 0.007 0.000 1.031 170 V CA -0.812 61.483 62.300 -0.008 0.000 0.881 170 V CB 1.709 33.517 31.823 -0.024 0.000 0.982 170 V HN 0.317 nan 8.190 nan 0.000 0.451 171 L N 7.029 128.263 121.223 0.018 0.000 2.287 171 L HA 0.641 4.981 4.340 0.001 0.000 0.287 171 L C -0.494 176.397 176.870 0.035 0.000 1.022 171 L CA 0.147 55.013 54.840 0.043 0.000 0.814 171 L CB 1.604 43.709 42.059 0.076 0.000 1.217 171 L HN 0.419 nan 8.230 nan 0.000 0.420 172 V N 6.519 126.449 119.914 0.028 0.000 2.334 172 V HA 0.423 4.544 4.120 0.001 0.000 0.281 172 V C 0.281 176.393 176.094 0.030 0.000 1.016 172 V CA -0.628 61.683 62.300 0.018 0.000 0.832 172 V CB 1.353 33.172 31.823 -0.008 0.000 0.999 172 V HN 0.722 nan 8.190 nan 0.000 0.439 173 M N 3.173 122.811 119.600 0.063 0.000 2.250 173 M HA 0.445 4.925 4.480 0.001 0.000 0.344 173 M C 0.841 177.217 176.300 0.125 0.000 1.150 173 M CA 0.028 55.385 55.300 0.095 0.000 1.147 173 M CB 0.642 33.315 32.600 0.122 0.000 1.498 173 M HN 0.968 nan 8.290 nan 0.000 0.461 174 A N 2.292 125.228 122.820 0.195 0.000 2.136 174 A HA 0.002 4.323 4.320 0.001 0.000 0.274 174 A C 0.495 178.081 177.584 0.004 0.000 1.388 174 A CA 0.524 52.673 52.037 0.188 0.000 0.741 174 A CB -1.849 17.308 19.000 0.261 0.000 1.173 174 A HN 1.172 nan 8.150 nan 0.000 0.329 175 A N 0.363 123.178 122.820 -0.010 0.000 2.488 175 A HA 0.658 4.978 4.320 0.001 0.000 0.249 175 A C 1.931 179.489 177.584 -0.043 0.000 1.083 175 A CA 1.204 53.233 52.037 -0.015 0.000 0.768 175 A CB 0.115 19.179 19.000 0.107 0.000 1.017 175 A HN 2.773 nan 8.150 nan 0.000 0.496 176 G N 0.995 109.566 108.800 -0.381 0.000 3.288 176 G HA2 -0.053 3.908 3.960 0.001 0.000 0.195 176 G HA3 -0.053 3.908 3.960 0.001 0.000 0.195 176 G C 0.706 175.304 174.900 -0.503 0.000 1.093 176 G CA 0.470 45.226 45.100 -0.574 0.000 0.852 176 G HN 1.999 nan 8.290 nan 0.000 0.453 177 S N 1.305 116.776 115.700 -0.381 0.000 2.579 177 S HA 0.504 4.974 4.470 0.001 0.000 0.275 177 S C 1.843 176.238 174.600 -0.343 0.000 1.345 177 S CA 0.920 58.917 58.200 -0.338 0.000 1.031 177 S CB 1.317 64.115 63.200 -0.671 0.000 0.892 177 S HN 1.609 nan 8.310 nan 0.000 0.529 178 G N 1.300 109.970 108.800 -0.217 0.000 2.529 178 G HA2 -0.207 3.754 3.960 0.001 0.000 0.219 178 G HA3 -0.207 3.754 3.960 0.001 0.000 0.219 178 G C 1.251 176.022 174.900 -0.215 0.000 1.177 178 G CA 1.065 46.050 45.100 -0.192 0.000 0.773 178 G HN 0.702 nan 8.290 nan 0.000 0.573 179 V N 0.820 120.631 119.914 -0.172 0.000 2.287 179 V HA -0.208 3.912 4.120 0.001 0.000 0.248 179 V C 3.133 179.089 176.094 -0.230 0.000 1.053 179 V CA 2.283 64.486 62.300 -0.162 0.000 1.027 179 V CB -0.693 31.115 31.823 -0.026 0.000 0.646 179 V HN 0.396 nan 8.190 nan 0.000 0.447 180 S N 0.501 116.033 115.700 -0.280 0.000 2.359 180 S HA -0.240 4.230 4.470 0.001 0.000 0.222 180 S C 2.115 176.580 174.600 -0.226 0.000 1.038 180 S CA 2.041 60.098 58.200 -0.237 0.000 1.051 180 S CB -0.610 62.428 63.200 -0.270 0.000 0.944 180 S HN 0.625 nan 8.310 nan 0.000 0.433 181 V N 0.687 120.426 119.914 -0.292 0.000 2.453 181 V HA -0.167 3.954 4.120 0.001 0.000 0.252 181 V C 2.182 178.155 176.094 -0.201 0.000 1.068 181 V CA 1.797 63.962 62.300 -0.225 0.000 1.070 181 V CB -1.470 30.180 31.823 -0.288 0.000 0.664 181 V HN 0.453 nan 8.190 nan 0.000 0.461 182 A N 0.480 123.062 122.820 -0.398 0.000 1.898 182 A HA 0.324 4.645 4.320 0.001 0.000 0.214 182 A C 2.491 179.850 177.584 -0.375 0.000 1.183 182 A CA 1.717 53.316 52.037 -0.730 0.000 0.622 182 A CB -0.972 17.084 19.000 -1.573 0.000 0.824 182 A HN 0.949 nan 8.150 nan 0.000 0.444 183 A N 0.175 122.831 122.820 -0.273 0.000 1.940 183 A HA -0.100 4.221 4.320 0.001 0.000 0.219 183 A C 2.076 179.590 177.584 -0.115 0.000 1.176 183 A CA 1.513 53.446 52.037 -0.173 0.000 0.631 183 A CB -0.617 18.303 19.000 -0.134 0.000 0.814 183 A HN 0.505 nan 8.150 nan 0.000 0.446 184 I N -0.739 119.779 120.570 -0.087 0.000 2.179 184 I HA -0.317 3.854 4.170 0.001 0.000 0.242 184 I C 2.822 178.935 176.117 -0.007 0.000 1.088 184 I CA 1.602 62.882 61.300 -0.033 0.000 1.357 184 I CB -0.464 37.535 38.000 -0.000 0.000 1.051 184 I HN 0.461 nan 8.210 nan 0.000 0.409 185 Q N 0.543 120.351 119.800 0.015 0.000 2.046 185 Q HA -0.150 4.190 4.340 0.001 0.000 0.200 185 Q C 2.380 178.419 176.000 0.065 0.000 0.975 185 Q CA 1.447 57.295 55.803 0.074 0.000 0.836 185 Q CB -0.044 28.797 28.738 0.171 0.000 0.896 185 Q HN 0.525 nan 8.270 nan 0.000 0.428 186 I N 0.650 121.242 120.570 0.036 0.000 2.226 186 I HA -0.260 3.910 4.170 0.001 0.000 0.245 186 I C 2.424 178.496 176.117 -0.074 0.000 1.100 186 I CA 0.898 62.190 61.300 -0.013 0.000 1.374 186 I CB -0.406 37.534 38.000 -0.099 0.000 1.057 186 I HN 0.161 nan 8.210 nan 0.000 0.413 187 A N 0.650 123.407 122.820 -0.104 0.000 1.902 187 A HA -0.191 4.130 4.320 0.001 0.000 0.217 187 A C 2.304 179.893 177.584 0.009 0.000 1.181 187 A CA 1.436 53.420 52.037 -0.089 0.000 0.623 187 A CB -0.320 18.629 19.000 -0.085 0.000 0.818 187 A HN 0.182 nan 8.150 nan 0.000 0.443 188 K N -0.197 120.213 120.400 0.018 0.000 2.057 188 K HA -0.045 4.276 4.320 0.001 0.000 0.207 188 K C 1.908 178.534 176.600 0.043 0.000 1.049 188 K CA 0.936 57.241 56.287 0.030 0.000 0.931 188 K CB -0.890 31.627 32.500 0.028 0.000 0.714 188 K HN 0.538 nan 8.250 nan 0.000 0.440 189 L N -0.011 121.245 121.223 0.056 0.000 2.129 189 L HA -0.152 4.189 4.340 0.001 0.000 0.212 189 L C 1.317 178.190 176.870 0.006 0.000 1.087 189 L CA 1.422 56.271 54.840 0.014 0.000 0.757 189 L CB -0.150 41.901 42.059 -0.014 0.000 0.896 189 L HN 0.093 nan 8.230 nan 0.000 0.434 190 F N -0.651 119.209 119.950 -0.149 0.000 2.663 190 F HA 0.206 4.733 4.527 0.001 0.000 0.299 190 F C 1.546 177.297 175.800 -0.081 0.000 1.143 190 F CA 0.357 58.279 58.000 -0.129 0.000 1.387 190 F CB 0.204 39.100 39.000 -0.173 0.000 1.019 190 F HN 0.230 nan 8.300 nan 0.000 0.523 191 G N 0.619 109.449 108.800 0.049 0.000 2.148 191 G HA2 -0.223 3.737 3.960 0.001 0.000 0.254 191 G HA3 -0.223 3.737 3.960 0.001 0.000 0.254 191 G C 0.357 175.275 174.900 0.029 0.000 0.981 191 G CA -0.050 45.063 45.100 0.023 0.000 0.670 191 G HN 0.631 nan 8.290 nan 0.000 0.528 192 A N -0.509 122.333 122.820 0.037 0.000 2.313 192 A HA 0.781 5.101 4.320 0.001 0.000 0.261 192 A C 0.702 178.293 177.584 0.011 0.000 1.090 192 A CA 0.318 52.366 52.037 0.018 0.000 0.807 192 A CB 0.462 19.465 19.000 0.005 0.000 1.055 192 A HN 0.754 nan 8.150 nan 0.000 0.492 193 R N 0.930 121.434 120.500 0.007 0.000 2.246 193 R HA 0.511 4.851 4.340 0.001 0.000 0.332 193 R C -1.583 174.721 176.300 0.006 0.000 0.974 193 R CA -0.331 55.773 56.100 0.007 0.000 0.837 193 R CB 0.799 31.103 30.300 0.006 0.000 1.145 193 R HN 0.490 nan 8.270 nan 0.000 0.467 194 V N 6.288 126.206 119.914 0.007 0.000 2.465 194 V HA 0.345 4.466 4.120 0.001 0.000 0.279 194 V C 0.183 176.284 176.094 0.012 0.000 1.045 194 V CA -0.665 61.639 62.300 0.007 0.000 0.938 194 V CB 1.501 33.327 31.823 0.005 0.000 0.986 194 V HN 0.620 nan 8.190 nan 0.000 0.467 195 I N 4.251 124.831 120.570 0.017 0.000 2.355 195 I HA 0.642 4.812 4.170 0.001 0.000 0.288 195 I C 0.335 176.465 176.117 0.023 0.000 0.999 195 I CA -0.390 60.925 61.300 0.025 0.000 1.163 195 I CB 1.305 39.331 38.000 0.043 0.000 1.316 195 I HN 0.694 nan 8.210 nan 0.000 0.454 196 A N 5.126 127.951 122.820 0.009 0.000 2.337 196 A HA 0.829 5.149 4.320 0.001 0.000 0.329 196 A C 0.170 177.726 177.584 -0.047 0.000 1.146 196 A CA -0.430 51.604 52.037 -0.006 0.000 0.800 196 A CB 1.041 20.044 19.000 0.004 0.000 1.220 196 A HN 0.742 nan 8.150 nan 0.000 0.472 197 T N -0.874 113.627 114.554 -0.089 0.000 2.888 197 T HA 0.880 5.231 4.350 0.001 0.000 0.284 197 T C -0.247 174.222 174.700 -0.386 0.000 1.017 197 T CA -0.025 61.927 62.100 -0.247 0.000 1.022 197 T CB 1.700 70.402 68.868 -0.276 0.000 1.013 197 T HN 2.094 nan 8.240 nan 0.000 0.465 198 A N 0.588 122.933 122.820 -0.793 0.000 2.586 198 A HA 0.819 5.140 4.320 0.001 0.000 0.290 198 A C 0.686 177.537 177.584 -1.221 0.000 1.086 198 A CA -0.474 51.069 52.037 -0.823 0.000 0.665 198 A CB 0.606 19.438 19.000 -0.279 0.000 1.279 198 A HN 1.236 nan 8.150 nan 0.000 0.423 199 G N -0.261 108.197 108.800 -0.569 0.000 3.088 199 G HA2 0.425 4.386 3.960 0.001 0.000 0.217 199 G HA3 0.425 4.386 3.960 0.001 0.000 0.217 199 G C 0.423 175.295 174.900 -0.047 0.000 1.159 199 G CA 1.079 46.110 45.100 -0.116 0.000 0.760 199 G HN 1.736 nan 8.290 nan 0.000 0.550 200 S N -0.975 114.674 115.700 -0.084 0.000 2.540 200 S HA 0.417 4.887 4.470 0.001 0.000 0.275 200 S C 0.407 174.967 174.600 -0.066 0.000 1.123 200 S CA -0.625 57.550 58.200 -0.042 0.000 0.907 200 S CB 2.276 65.474 63.200 -0.004 0.000 1.081 200 S HN -0.058 nan 8.310 nan 0.000 0.476 201 E N 1.668 121.836 120.200 -0.053 0.000 2.209 201 E HA -0.168 4.183 4.350 0.001 0.000 0.196 201 E C 0.685 177.242 176.600 -0.072 0.000 0.993 201 E CA 1.379 57.743 56.400 -0.060 0.000 0.819 201 E CB -0.268 29.406 29.700 -0.042 0.000 0.745 201 E HN 0.724 nan 8.360 nan 0.000 0.477 202 D N 0.755 121.117 120.400 -0.064 0.000 2.117 202 D HA -0.103 4.537 4.640 0.001 0.000 0.197 202 D C 1.822 178.041 176.300 -0.135 0.000 0.987 202 D CA 1.083 55.032 54.000 -0.085 0.000 0.829 202 D CB -0.065 40.701 40.800 -0.057 0.000 0.961 202 D HN 0.168 nan 8.370 nan 0.000 0.460 203 K N -0.040 120.307 120.400 -0.088 0.000 2.155 203 K HA 0.030 4.351 4.320 0.001 0.000 0.203 203 K C 2.210 178.739 176.600 -0.118 0.000 1.052 203 K CA 0.387 56.630 56.287 -0.073 0.000 0.948 203 K CB 0.012 32.572 32.500 0.101 0.000 0.728 203 K HN 0.141 nan 8.250 nan 0.000 0.448 204 L N 0.694 121.856 121.223 -0.102 0.000 2.083 204 L HA -0.152 4.189 4.340 0.001 0.000 0.209 204 L C 2.719 179.520 176.870 -0.114 0.000 1.083 204 L CA 1.083 55.867 54.840 -0.093 0.000 0.752 204 L CB -0.392 41.612 42.059 -0.092 0.000 0.899 204 L HN 0.214 nan 8.230 nan 0.000 0.433 205 R N 0.627 121.044 120.500 -0.139 0.000 2.091 205 R HA -0.184 4.156 4.340 0.001 0.000 0.238 205 R C 2.404 178.580 176.300 -0.207 0.000 1.136 205 R CA 1.581 57.594 56.100 -0.143 0.000 0.959 205 R CB -0.049 30.170 30.300 -0.134 0.000 0.856 205 R HN 0.300 nan 8.270 nan 0.000 0.437 206 R N -0.433 119.844 120.500 -0.373 0.000 2.115 206 R HA 0.019 4.360 4.340 0.001 0.000 0.226 206 R C 2.281 178.353 176.300 -0.381 0.000 1.100 206 R CA 1.056 56.793 56.100 -0.605 0.000 0.980 206 R CB -0.160 29.258 30.300 -1.469 0.000 0.875 206 R HN 0.238 nan 8.270 nan 0.000 0.445 207 A N 1.259 123.968 122.820 -0.186 0.000 1.930 207 A HA -0.124 4.197 4.320 0.001 0.000 0.217 207 A C 1.907 179.499 177.584 0.013 0.000 1.175 207 A CA 1.087 53.163 52.037 0.066 0.000 0.627 207 A CB -0.161 18.893 19.000 0.091 0.000 0.815 207 A HN 0.001 nan 8.150 nan 0.000 0.443 208 K N -0.099 120.278 120.400 -0.039 0.000 2.057 208 K HA -0.030 4.291 4.320 0.001 0.000 0.206 208 K C 2.161 178.748 176.600 -0.022 0.000 1.050 208 K CA 1.339 57.609 56.287 -0.028 0.000 0.935 208 K CB -0.520 31.955 32.500 -0.043 0.000 0.715 208 K HN 0.420 nan 8.250 nan 0.000 0.439 209 A N 0.601 123.394 122.820 -0.046 0.000 2.066 209 A HA -0.099 4.221 4.320 0.001 0.000 0.218 209 A C 1.985 179.574 177.584 0.008 0.000 1.157 209 A CA 0.796 52.815 52.037 -0.030 0.000 0.670 209 A CB -0.240 18.723 19.000 -0.062 0.000 0.804 209 A HN 0.210 nan 8.150 nan 0.000 0.453 210 L N -1.695 119.548 121.223 0.033 0.000 2.313 210 L HA 0.242 4.582 4.340 0.001 0.000 0.214 210 L C 1.612 178.523 176.870 0.068 0.000 1.119 210 L CA 1.771 56.663 54.840 0.086 0.000 0.809 210 L CB 0.132 42.291 42.059 0.167 0.000 0.933 210 L HN 0.560 nan 8.230 nan 0.000 0.449 211 G N -2.547 106.279 108.800 0.044 0.000 2.425 211 G HA2 -0.068 3.893 3.960 0.001 0.000 0.177 211 G HA3 -0.068 3.893 3.960 0.001 0.000 0.177 211 G C 0.467 175.383 174.900 0.026 0.000 0.999 211 G CA -0.160 44.961 45.100 0.035 0.000 0.723 211 G HN 0.598 nan 8.290 nan 0.000 0.491 212 A N 0.764 123.600 122.820 0.026 0.000 2.511 212 A HA 0.481 4.801 4.320 0.001 0.000 0.242 212 A C 1.168 178.758 177.584 0.010 0.000 1.069 212 A CA 1.029 53.076 52.037 0.018 0.000 0.763 212 A CB 0.250 19.261 19.000 0.018 0.000 1.001 212 A HN 0.209 nan 8.150 nan 0.000 0.498 213 D N 0.694 121.100 120.400 0.009 0.000 2.183 213 D HA 0.035 4.676 4.640 0.001 0.000 0.205 213 D C 0.275 176.578 176.300 0.005 0.000 0.962 213 D CA 1.267 55.272 54.000 0.007 0.000 0.849 213 D CB 0.418 41.223 40.800 0.008 0.000 0.978 213 D HN 0.698 nan 8.370 nan 0.000 0.488 214 E N -0.645 119.559 120.200 0.007 0.000 2.367 214 E HA 0.369 4.720 4.350 0.001 0.000 0.273 214 E C -1.122 175.481 176.600 0.005 0.000 0.903 214 E CA -0.634 55.771 56.400 0.007 0.000 0.764 214 E CB 2.246 31.954 29.700 0.014 0.000 1.252 214 E HN -0.056 nan 8.360 nan 0.000 0.446 215 T N -1.181 113.373 114.554 -0.001 0.000 2.900 215 T HA 0.795 5.146 4.350 0.001 0.000 0.295 215 T C -1.007 173.687 174.700 -0.010 0.000 1.044 215 T CA -0.781 61.310 62.100 -0.015 0.000 0.995 215 T CB 1.187 70.034 68.868 -0.035 0.000 1.072 215 T HN 0.161 nan 8.240 nan 0.000 0.473 216 V N 2.496 122.392 119.914 -0.030 0.000 2.686 216 V HA 0.512 4.632 4.120 0.001 0.000 0.306 216 V C -0.570 175.452 176.094 -0.121 0.000 1.065 216 V CA -1.026 61.270 62.300 -0.007 0.000 0.894 216 V CB 2.002 33.886 31.823 0.102 0.000 1.004 216 V HN 1.009 nan 8.190 nan 0.000 0.424 217 N N 3.306 121.957 118.700 -0.082 0.000 2.420 217 N HA 0.141 4.881 4.740 0.001 0.000 0.249 217 N C 0.215 175.656 175.510 -0.116 0.000 1.033 217 N CA -0.338 52.605 53.050 -0.179 0.000 0.944 217 N CB 1.165 39.611 38.487 -0.069 0.000 1.113 217 N HN 0.751 nan 8.380 nan 0.000 0.502 218 Y N 2.212 122.361 120.300 -0.253 0.000 2.477 218 Y HA 0.233 4.784 4.550 0.001 0.000 0.303 218 Y C 1.585 177.330 175.900 -0.258 0.000 1.202 218 Y CA -0.459 57.320 58.100 -0.534 0.000 1.282 218 Y CB -1.078 36.655 38.460 -1.211 0.000 1.071 218 Y HN 0.257 nan 8.280 nan 0.000 0.510 219 T N -0.406 114.278 114.554 0.215 0.000 2.746 219 T HA -0.206 4.144 4.350 0.001 0.000 0.267 219 T C 0.579 175.390 174.700 0.185 0.000 1.039 219 T CA 1.355 63.573 62.100 0.197 0.000 1.142 219 T CB -0.544 68.408 68.868 0.141 0.000 0.866 219 T HN 0.673 nan 8.240 nan 0.000 0.444 220 H N 3.345 122.471 119.070 0.093 0.000 2.878 220 H HA 0.097 4.653 4.556 0.001 0.000 0.290 220 H C -1.838 173.576 175.328 0.142 0.000 1.065 220 H CA -2.228 53.877 56.048 0.095 0.000 1.477 220 H CB 1.117 30.933 29.762 0.089 0.000 1.484 220 H HN 0.043 nan 8.280 nan 0.000 0.504 221 P HA -0.076 nan 4.420 nan 0.000 0.288 221 P C 0.028 177.220 177.300 -0.180 0.000 1.448 221 P CA 0.763 63.885 63.100 0.037 0.000 0.764 221 P CB 0.118 31.858 31.700 0.066 0.000 1.472 222 D N -0.971 119.141 120.400 -0.480 0.000 2.539 222 D HA 0.006 4.647 4.640 0.001 0.000 0.232 222 D C 1.580 177.588 176.300 -0.485 0.000 1.256 222 D CA -0.328 53.316 54.000 -0.593 0.000 0.810 222 D CB -0.048 40.247 40.800 -0.841 0.000 1.090 222 D HN 0.165 nan 8.370 nan 0.000 0.519 223 W N 1.041 122.149 121.300 -0.320 0.000 2.331 223 W HA -0.084 4.576 4.660 0.001 0.000 0.291 223 W C -1.560 174.896 176.519 -0.105 0.000 1.214 223 W CA 0.842 58.092 57.345 -0.159 0.000 1.228 223 W CB -2.276 27.145 29.460 -0.065 0.000 1.135 223 W HN 0.043 nan 8.180 nan 0.000 0.537 224 P HA -0.169 nan 4.420 nan 0.000 0.216 224 P C 1.737 178.811 177.300 -0.376 0.000 1.150 224 P CA 2.671 65.237 63.100 -0.889 0.000 0.837 224 P CB -0.314 30.809 31.700 -0.962 0.000 0.786 225 K N -0.625 119.591 120.400 -0.308 0.000 2.097 225 K HA -0.201 4.120 4.320 0.001 0.000 0.206 225 K C 2.113 178.655 176.600 -0.098 0.000 1.049 225 K CA 1.285 57.468 56.287 -0.173 0.000 0.933 225 K CB -0.279 32.130 32.500 -0.152 0.000 0.717 225 K HN 0.005 nan 8.250 nan 0.000 0.442 226 E N 0.704 120.863 120.200 -0.068 0.000 2.051 226 E HA -0.144 4.206 4.350 0.001 0.000 0.192 226 E C 1.755 178.369 176.600 0.023 0.000 0.991 226 E CA 1.117 57.520 56.400 0.005 0.000 0.799 226 E CB -0.149 29.587 29.700 0.060 0.000 0.748 226 E HN -0.002 nan 8.360 nan 0.000 0.449 227 V N 1.397 121.336 119.914 0.043 0.000 2.392 227 V HA -0.263 3.857 4.120 0.001 0.000 0.249 227 V C 2.423 178.520 176.094 0.005 0.000 1.059 227 V CA 2.017 64.353 62.300 0.060 0.000 1.051 227 V CB -0.533 31.361 31.823 0.118 0.000 0.658 227 V HN 0.231 nan 8.190 nan 0.000 0.455 228 R N -0.020 120.457 120.500 -0.038 0.000 2.081 228 R HA -0.118 4.222 4.340 0.001 0.000 0.235 228 R C 2.357 178.642 176.300 -0.025 0.000 1.131 228 R CA 1.448 57.522 56.100 -0.042 0.000 0.960 228 R CB -0.742 29.518 30.300 -0.067 0.000 0.856 228 R HN 0.465 nan 8.270 nan 0.000 0.436 229 R N 0.684 121.171 120.500 -0.021 0.000 2.083 229 R HA -0.111 4.229 4.340 0.001 0.000 0.237 229 R C 1.916 178.215 176.300 -0.002 0.000 1.137 229 R CA 1.248 57.341 56.100 -0.011 0.000 0.951 229 R CB -0.181 30.115 30.300 -0.007 0.000 0.851 229 R HN 0.017 nan 8.270 nan 0.000 0.434 230 L N 0.589 121.816 121.223 0.006 0.000 2.456 230 L HA -0.070 4.270 4.340 0.001 0.000 0.224 230 L C 1.333 178.208 176.870 0.007 0.000 1.148 230 L CA 1.649 56.496 54.840 0.011 0.000 0.825 230 L CB -0.390 41.682 42.059 0.022 0.000 0.937 230 L HN 0.315 nan 8.230 nan 0.000 0.450 231 T N -4.335 110.220 114.554 0.002 0.000 3.313 231 T HA 0.501 4.851 4.350 0.001 0.000 0.263 231 T C 1.170 175.865 174.700 -0.007 0.000 0.983 231 T CA -0.024 62.075 62.100 -0.002 0.000 0.963 231 T CB 0.109 68.976 68.868 -0.003 0.000 1.141 231 T HN 0.287 nan 8.240 nan 0.000 0.526 232 G N 0.827 109.623 108.800 -0.007 0.000 2.233 232 G HA2 0.004 3.965 3.960 0.001 0.000 0.270 232 G HA3 0.004 3.965 3.960 0.001 0.000 0.270 232 G C 1.199 176.092 174.900 -0.013 0.000 1.011 232 G CA 0.461 45.556 45.100 -0.008 0.000 0.762 232 G HN 1.897 nan 8.290 nan 0.000 0.511 233 G N -0.413 108.377 108.800 -0.016 0.000 2.179 233 G HA2 -0.272 3.689 3.960 0.001 0.000 0.260 233 G HA3 -0.272 3.689 3.960 0.001 0.000 0.260 233 G C 1.084 175.969 174.900 -0.025 0.000 0.977 233 G CA 1.495 46.582 45.100 -0.022 0.000 0.641 233 G HN 1.841 nan 8.290 nan 0.000 0.533 234 K N 0.443 120.829 120.400 -0.023 0.000 2.379 234 K HA 0.517 4.838 4.320 0.001 0.000 0.194 234 K C 1.326 177.906 176.600 -0.033 0.000 1.031 234 K CA 0.919 57.190 56.287 -0.027 0.000 1.037 234 K CB 0.329 32.816 32.500 -0.023 0.000 0.824 234 K HN 1.900 nan 8.250 nan 0.000 0.516 235 G N 0.746 109.527 108.800 -0.031 0.000 2.756 235 G HA2 -0.021 3.939 3.960 0.001 0.000 0.678 235 G HA3 -0.021 3.939 3.960 0.001 0.000 0.678 235 G C -0.491 174.397 174.900 -0.022 0.000 1.349 235 G CA -0.606 44.474 45.100 -0.034 0.000 0.847 235 G HN 0.550 nan 8.290 nan 0.000 0.548 236 A N -0.291 122.521 122.820 -0.015 0.000 2.388 236 A HA 0.582 4.903 4.320 0.001 0.000 0.257 236 A C 1.213 178.787 177.584 -0.017 0.000 1.095 236 A CA 0.847 52.881 52.037 -0.005 0.000 0.791 236 A CB 0.286 19.293 19.000 0.013 0.000 1.029 236 A HN 0.656 nan 8.150 nan 0.000 0.489 237 D N 0.780 121.171 120.400 -0.015 0.000 2.162 237 D HA 0.035 4.676 4.640 0.001 0.000 0.205 237 D C -0.031 176.257 176.300 -0.019 0.000 0.964 237 D CA 1.314 55.302 54.000 -0.019 0.000 0.847 237 D CB 0.179 40.969 40.800 -0.016 0.000 0.988 237 D HN 0.397 nan 8.370 nan 0.000 0.480 238 K N 0.050 120.440 120.400 -0.017 0.000 2.371 238 K HA 0.536 4.856 4.320 0.001 0.000 0.251 238 K C -1.004 175.589 176.600 -0.011 0.000 0.934 238 K CA -0.639 55.636 56.287 -0.020 0.000 0.798 238 K CB 3.329 35.808 32.500 -0.034 0.000 1.204 238 K HN -0.278 nan 8.250 nan 0.000 0.427 239 V N 2.290 122.202 119.914 -0.003 0.000 2.638 239 V HA 0.465 4.586 4.120 0.001 0.000 0.306 239 V C -0.930 175.176 176.094 0.021 0.000 1.052 239 V CA -1.018 61.290 62.300 0.014 0.000 0.885 239 V CB 2.048 33.883 31.823 0.020 0.000 0.999 239 V HN 0.440 nan 8.190 nan 0.000 0.424 240 V N 3.290 123.218 119.914 0.023 0.000 2.328 240 V HA 0.472 4.592 4.120 0.001 0.000 0.278 240 V C -0.618 175.518 176.094 0.071 0.000 1.021 240 V CA -0.247 62.069 62.300 0.028 0.000 0.838 240 V CB 1.513 33.332 31.823 -0.006 0.000 0.999 240 V HN 0.900 nan 8.190 nan 0.000 0.447 241 D N 2.818 123.276 120.400 0.097 0.000 2.469 241 D HA 0.231 4.872 4.640 0.001 0.000 0.251 241 D C 0.758 177.122 176.300 0.107 0.000 1.173 241 D CA -0.497 53.580 54.000 0.127 0.000 0.882 241 D CB 1.082 41.984 40.800 0.170 0.000 1.129 241 D HN 0.813 nan 8.370 nan 0.000 0.549 242 H N 1.281 120.352 119.070 0.002 0.000 2.556 242 H HA 0.173 4.729 4.556 0.001 0.000 0.273 242 H C 0.749 176.054 175.328 -0.038 0.000 1.030 242 H CA 0.920 56.960 56.048 -0.014 0.000 1.156 242 H CB 0.622 30.369 29.762 -0.024 0.000 1.326 242 H HN 0.262 nan 8.280 nan 0.000 0.609 243 T N -2.790 111.519 114.554 -0.407 0.000 3.719 243 T HA 0.271 4.621 4.350 0.001 0.000 0.285 243 T C 1.658 176.194 174.700 -0.274 0.000 0.963 243 T CA 0.886 62.714 62.100 -0.455 0.000 1.154 243 T CB -0.282 68.191 68.868 -0.658 0.000 1.123 243 T HN 0.638 nan 8.240 nan 0.000 0.448 244 G N 1.206 109.925 108.800 -0.135 0.000 2.225 244 G HA2 -0.169 3.792 3.960 0.001 0.000 0.254 244 G HA3 -0.169 3.792 3.960 0.001 0.000 0.254 244 G C 0.913 175.734 174.900 -0.131 0.000 0.988 244 G CA 0.580 45.668 45.100 -0.020 0.000 0.625 244 G HN 1.478 nan 8.290 nan 0.000 0.527 245 A N -0.135 122.444 122.820 -0.401 0.000 2.370 245 A HA 0.710 5.031 4.320 0.001 0.000 0.238 245 A C 0.645 177.992 177.584 -0.395 0.000 1.289 245 A CA 0.373 52.022 52.037 -0.646 0.000 0.885 245 A CB 0.084 18.241 19.000 -1.405 0.000 0.961 245 A HN 0.785 nan 8.150 nan 0.000 0.499 246 L N 0.545 121.613 121.223 -0.257 0.000 2.377 246 L HA 0.352 4.692 4.340 0.001 0.000 0.270 246 L C -0.892 175.859 176.870 -0.198 0.000 0.991 246 L CA -0.903 53.679 54.840 -0.429 0.000 0.851 246 L CB 0.775 42.578 42.059 -0.427 0.000 1.218 246 L HN 0.543 nan 8.230 nan 0.000 0.420 247 Y N 2.358 122.681 120.300 0.039 0.000 3.054 247 Y HA -0.322 4.228 4.550 0.001 0.000 0.210 247 Y C 1.081 177.120 175.900 0.232 0.000 1.212 247 Y CA 0.686 58.884 58.100 0.164 0.000 1.118 247 Y CB -2.655 35.955 38.460 0.250 0.000 1.292 247 Y HN 0.555 nan 8.280 nan 0.000 0.533 248 F N 1.046 121.095 119.950 0.165 0.000 2.333 248 F HA -0.150 4.378 4.527 0.001 0.000 0.300 248 F C 2.133 178.014 175.800 0.134 0.000 1.083 248 F CA 1.919 60.000 58.000 0.136 0.000 1.395 248 F CB 0.129 39.175 39.000 0.076 0.000 1.056 248 F HN 0.335 nan 8.300 nan 0.000 0.529 249 E N -0.082 120.247 120.200 0.215 0.000 2.077 249 E HA -0.094 4.257 4.350 0.001 0.000 0.193 249 E C 2.443 179.034 176.600 -0.014 0.000 0.989 249 E CA 1.624 58.089 56.400 0.109 0.000 0.800 249 E CB -0.897 28.881 29.700 0.130 0.000 0.746 249 E HN 0.334 nan 8.360 nan 0.000 0.452 250 G N 0.039 108.858 108.800 0.032 0.000 2.394 250 G HA2 -0.181 3.779 3.960 0.001 0.000 0.215 250 G HA3 -0.181 3.779 3.960 0.001 0.000 0.215 250 G C 1.727 176.476 174.900 -0.250 0.000 1.165 250 G CA 0.811 45.784 45.100 -0.211 0.000 0.784 250 G HN 0.235 nan 8.290 nan 0.000 0.535 251 V N 2.172 122.095 119.914 0.016 0.000 2.231 251 V HA -0.305 3.815 4.120 0.001 0.000 0.250 251 V C 2.833 178.781 176.094 -0.243 0.000 1.058 251 V CA 2.238 64.513 62.300 -0.042 0.000 1.022 251 V CB -0.630 31.019 31.823 -0.290 0.000 0.640 251 V HN 0.629 nan 8.190 nan 0.000 0.445 252 I N -1.142 119.202 120.570 -0.376 0.000 2.454 252 I HA -0.208 3.962 4.170 0.001 0.000 0.254 252 I C 2.180 178.187 176.117 -0.184 0.000 1.156 252 I CA 1.857 62.992 61.300 -0.277 0.000 1.433 252 I CB -0.558 37.299 38.000 -0.238 0.000 1.082 252 I HN 0.161 nan 8.210 nan 0.000 0.432 253 K N 1.150 121.435 120.400 -0.191 0.000 2.296 253 K HA 0.160 4.481 4.320 0.001 0.000 0.200 253 K C 2.067 178.550 176.600 -0.195 0.000 1.048 253 K CA 0.964 57.148 56.287 -0.172 0.000 0.966 253 K CB -0.083 32.290 32.500 -0.212 0.000 0.754 253 K HN 0.528 nan 8.250 nan 0.000 0.466 254 A N 0.884 123.569 122.820 -0.225 0.000 2.178 254 A HA 0.041 4.362 4.320 0.001 0.000 0.211 254 A C 0.683 178.215 177.584 -0.086 0.000 1.157 254 A CA 0.374 52.314 52.037 -0.163 0.000 0.780 254 A CB 0.108 19.031 19.000 -0.129 0.000 0.828 254 A HN 0.057 nan 8.150 nan 0.000 0.476 255 T N 1.669 116.162 114.554 -0.100 0.000 2.817 255 T HA 0.533 4.883 4.350 0.001 0.000 0.293 255 T C 0.404 175.056 174.700 -0.080 0.000 0.964 255 T CA 0.144 62.196 62.100 -0.081 0.000 1.085 255 T CB 1.265 70.074 68.868 -0.099 0.000 0.921 255 T HN 0.457 nan 8.240 nan 0.000 0.502 256 A N 3.959 126.743 122.820 -0.060 0.000 2.425 256 A HA 0.315 4.636 4.320 0.001 0.000 0.242 256 A C 0.654 178.196 177.584 -0.070 0.000 1.077 256 A CA -0.533 51.470 52.037 -0.058 0.000 0.781 256 A CB -0.148 18.827 19.000 -0.042 0.000 1.020 256 A HN 0.832 nan 8.150 nan 0.000 0.494 257 N N 0.102 118.757 118.700 -0.076 0.000 2.353 257 N HA 0.333 5.073 4.740 0.001 0.000 0.248 257 N C 1.310 176.778 175.510 -0.071 0.000 1.240 257 N CA 1.916 54.912 53.050 -0.091 0.000 0.862 257 N CB 0.345 38.775 38.487 -0.094 0.000 1.086 257 N HN 1.250 nan 8.380 nan 0.000 0.453 258 G N 0.315 109.073 108.800 -0.070 0.000 2.184 258 G HA2 -0.229 3.732 3.960 0.001 0.000 0.264 258 G HA3 -0.229 3.732 3.960 0.001 0.000 0.264 258 G C 0.599 175.478 174.900 -0.035 0.000 0.975 258 G CA 0.253 45.325 45.100 -0.047 0.000 0.642 258 G HN 0.887 nan 8.290 nan 0.000 0.536 259 G N -0.582 108.193 108.800 -0.043 0.000 2.664 259 G HA2 0.495 4.456 3.960 0.001 0.000 0.242 259 G HA3 0.495 4.456 3.960 0.001 0.000 0.242 259 G C 0.136 175.024 174.900 -0.020 0.000 1.225 259 G CA -0.209 44.871 45.100 -0.034 0.000 0.849 259 G HN 0.591 nan 8.290 nan 0.000 0.581 260 R N -0.585 119.907 120.500 -0.013 0.000 2.637 260 R HA 0.563 4.903 4.340 0.001 0.000 0.291 260 R C -0.739 175.565 176.300 0.006 0.000 0.963 260 R CA -0.600 55.500 56.100 0.000 0.000 0.901 260 R CB 2.112 32.409 30.300 -0.005 0.000 1.160 260 R HN 0.379 nan 8.270 nan 0.000 0.457 261 I N 1.794 122.383 120.570 0.032 0.000 2.478 261 I HA 0.409 4.580 4.170 0.001 0.000 0.287 261 I C -0.547 175.616 176.117 0.077 0.000 1.042 261 I CA -0.728 60.607 61.300 0.059 0.000 1.067 261 I CB 2.147 40.205 38.000 0.097 0.000 1.233 261 I HN 0.626 nan 8.210 nan 0.000 0.431 262 A N 7.878 130.734 122.820 0.060 0.000 2.292 262 A HA 0.840 5.160 4.320 0.001 0.000 0.319 262 A C -0.593 177.033 177.584 0.071 0.000 1.206 262 A CA -0.408 51.659 52.037 0.050 0.000 0.835 262 A CB 0.608 19.617 19.000 0.017 0.000 1.164 262 A HN 0.685 nan 8.150 nan 0.000 0.505 263 I N 2.379 122.985 120.570 0.061 0.000 2.389 263 I HA 0.399 4.570 4.170 0.001 0.000 0.288 263 I C 0.649 176.782 176.117 0.027 0.000 0.999 263 I CA -0.525 60.803 61.300 0.047 0.000 1.129 263 I CB 1.854 39.869 38.000 0.025 0.000 1.288 263 I HN 0.727 nan 8.210 nan 0.000 0.444 264 A N 5.293 128.131 122.820 0.031 0.000 2.484 264 A HA 0.480 4.800 4.320 0.001 0.000 0.268 264 A C 0.829 178.427 177.584 0.023 0.000 1.114 264 A CA -0.067 51.997 52.037 0.046 0.000 0.780 264 A CB -0.204 18.847 19.000 0.086 0.000 1.061 264 A HN 0.884 nan 8.150 nan 0.000 0.505 265 G N 1.111 109.933 108.800 0.036 0.000 2.484 265 G HA2 0.570 4.530 3.960 0.001 0.000 0.235 265 G HA3 0.570 4.530 3.960 0.001 0.000 0.235 265 G C 0.113 175.029 174.900 0.028 0.000 1.282 265 G CA 0.504 45.617 45.100 0.021 0.000 0.857 265 G HN 1.899 nan 8.290 nan 0.000 0.571 266 A N 0.684 123.485 122.820 -0.031 0.000 2.589 266 A HA 0.628 4.948 4.320 0.001 0.000 0.296 266 A C 0.138 177.577 177.584 -0.242 0.000 1.062 266 A CA -0.025 51.964 52.037 -0.080 0.000 0.686 266 A CB 1.512 20.460 19.000 -0.085 0.000 1.282 266 A HN 1.253 nan 8.150 nan 0.000 0.404 267 S N 0.926 116.412 115.700 -0.357 0.000 2.596 267 S HA 0.191 4.661 4.470 0.001 0.000 0.248 267 S C 1.199 175.360 174.600 -0.732 0.000 1.162 267 S CA 0.408 58.386 58.200 -0.370 0.000 1.185 267 S CB -0.841 62.256 63.200 -0.171 0.000 0.833 267 S HN 1.422 nan 8.310 nan 0.000 0.472 268 S N 0.185 115.285 115.700 -1.001 0.000 2.496 268 S HA 0.238 4.708 4.470 0.001 0.000 0.224 268 S C 1.742 176.020 174.600 -0.536 0.000 0.996 268 S CA 0.564 57.993 58.200 -1.284 0.000 0.927 268 S CB -0.579 61.823 63.200 -1.330 0.000 0.774 268 S HN 1.241 nan 8.310 nan 0.000 0.524 269 G N 0.823 109.423 108.800 -0.334 0.000 2.166 269 G HA2 -0.368 3.593 3.960 0.001 0.000 0.260 269 G HA3 -0.368 3.593 3.960 0.001 0.000 0.260 269 G C -0.090 174.726 174.900 -0.139 0.000 0.986 269 G CA 0.412 45.398 45.100 -0.190 0.000 0.683 269 G HN 0.874 nan 8.290 nan 0.000 0.527 270 Y N 1.945 122.100 120.300 -0.242 0.000 2.677 270 Y HA 0.390 4.940 4.550 0.001 0.000 0.335 270 Y C 0.616 176.433 175.900 -0.138 0.000 1.162 270 Y CA 0.012 58.005 58.100 -0.178 0.000 1.483 270 Y CB 0.293 38.639 38.460 -0.190 0.000 1.209 270 Y HN 0.508 nan 8.280 nan 0.000 0.528 271 E N 4.947 124.722 120.200 -0.709 0.000 2.109 271 E HA 0.640 4.990 4.350 0.001 0.000 0.278 271 E C -0.115 175.955 176.600 -0.883 0.000 0.954 271 E CA -0.486 55.545 56.400 -0.616 0.000 0.779 271 E CB 1.445 30.955 29.700 -0.317 0.000 1.093 271 E HN 0.700 nan 8.360 nan 0.000 0.401 272 G N 2.023 110.375 108.800 -0.746 0.000 3.356 272 G HA2 0.667 4.628 3.960 0.001 0.000 0.178 272 G HA3 0.667 4.628 3.960 0.001 0.000 0.178 272 G C -0.715 174.083 174.900 -0.170 0.000 1.130 272 G CA -0.608 44.216 45.100 -0.460 0.000 0.800 272 G HN 0.502 nan 8.290 nan 0.000 0.669 273 T N 0.511 115.034 114.554 -0.051 0.000 2.982 273 T HA 0.484 4.835 4.350 0.001 0.000 0.321 273 T C -1.751 172.979 174.700 0.050 0.000 1.229 273 T CA -0.368 61.740 62.100 0.012 0.000 1.044 273 T CB 1.873 70.760 68.868 0.032 0.000 1.184 273 T HN 0.461 nan 8.240 nan 0.000 0.477 274 L N 5.019 126.311 121.223 0.115 0.000 2.349 274 L HA 0.559 4.900 4.340 0.001 0.000 0.278 274 L C -2.372 174.643 176.870 0.243 0.000 0.996 274 L CA -2.264 52.651 54.840 0.124 0.000 0.825 274 L CB 1.794 43.879 42.059 0.042 0.000 1.243 274 L HN 0.422 nan 8.230 nan 0.000 0.412 275 P HA 0.035 nan 4.420 nan 0.000 0.261 275 P C 0.029 177.324 177.300 -0.007 0.000 1.203 275 P CA 0.119 63.302 63.100 0.138 0.000 0.767 275 P CB 0.500 32.258 31.700 0.096 0.000 0.785 276 F N 3.237 123.125 119.950 -0.103 0.000 2.084 276 F HA 0.003 4.531 4.527 0.001 0.000 0.283 276 F C 2.687 178.394 175.800 -0.155 0.000 1.141 276 F CA 1.507 59.427 58.000 -0.133 0.000 1.146 276 F CB -1.522 37.602 39.000 0.205 0.000 1.035 276 F HN 0.339 nan 8.300 nan 0.000 0.485 277 A N -0.192 122.793 122.820 0.275 0.000 1.941 277 A HA -0.369 3.951 4.320 0.001 0.000 0.220 277 A C 1.241 178.918 177.584 0.155 0.000 1.407 277 A CA 2.342 54.496 52.037 0.196 0.000 0.766 277 A CB -1.835 17.247 19.000 0.137 0.000 0.838 277 A HN 0.556 nan 8.150 nan 0.000 0.482 278 H N -1.111 117.974 119.070 0.025 0.000 3.775 278 H HA 0.415 4.971 4.556 0.001 0.000 0.200 278 H C 0.390 175.686 175.328 -0.054 0.000 1.655 278 H CA 0.633 56.701 56.048 0.034 0.000 1.359 278 H CB -0.031 29.746 29.762 0.025 0.000 1.643 278 H HN 0.080 nan 8.280 nan 0.000 0.706 279 V N 0.296 120.073 119.914 -0.227 0.000 3.339 279 V HA -0.080 4.040 4.120 0.001 0.000 0.201 279 V C 0.852 176.759 176.094 -0.313 0.000 1.489 279 V CA 0.163 62.218 62.300 -0.408 0.000 1.228 279 V CB -0.273 31.132 31.823 -0.698 0.000 1.152 279 V HN 0.300 nan 8.190 nan 0.000 0.519 280 F N -0.547 119.408 119.950 0.009 0.000 2.664 280 F HA 0.146 4.674 4.527 0.000 0.000 0.296 280 F C 2.024 177.873 175.800 0.082 0.000 1.125 280 F CA 0.541 58.548 58.000 0.012 0.000 1.444 280 F CB -0.607 38.394 39.000 0.002 0.000 1.114 280 F HN 0.283 nan 8.300 nan 0.000 0.576 281 Y N 1.377 121.733 120.300 0.093 0.000 2.314 281 Y HA 0.009 4.559 4.550 0.001 0.000 0.293 281 Y C 1.874 177.772 175.900 -0.003 0.000 1.129 281 Y CA 1.272 59.410 58.100 0.063 0.000 1.201 281 Y CB -0.264 38.245 38.460 0.081 0.000 0.999 281 Y HN -0.102 nan 8.280 nan 0.000 0.541 282 R N 0.586 121.030 120.500 -0.093 0.000 2.320 282 R HA 0.053 4.393 4.340 0.001 0.000 0.211 282 R C -0.024 176.201 176.300 -0.124 0.000 0.931 282 R CA 0.387 56.365 56.100 -0.204 0.000 1.071 282 R CB -0.150 29.984 30.300 -0.278 0.000 1.025 282 R HN 0.386 nan 8.270 nan 0.000 0.495 283 Q N 0.398 120.171 119.800 -0.045 0.000 2.463 283 Q HA -0.192 4.148 4.340 0.001 0.000 0.299 283 Q C -0.965 175.039 176.000 0.007 0.000 1.353 283 Q CA 0.297 56.103 55.803 0.004 0.000 0.828 283 Q CB -1.193 27.526 28.738 -0.033 0.000 1.157 283 Q HN 0.142 nan 8.270 nan 0.000 0.436 284 L N 0.240 121.472 121.223 0.016 0.000 2.375 284 L HA 0.338 4.678 4.340 0.001 0.000 0.271 284 L C 0.610 177.526 176.870 0.076 0.000 1.107 284 L CA 0.421 55.264 54.840 0.005 0.000 0.806 284 L CB 1.908 43.931 42.059 -0.060 0.000 1.146 284 L HN 0.053 nan 8.230 nan 0.000 0.447 285 S N 3.469 119.202 115.700 0.054 0.000 2.449 285 S HA 0.669 5.140 4.470 0.001 0.000 0.310 285 S C -0.365 174.282 174.600 0.079 0.000 1.096 285 S CA -0.388 57.854 58.200 0.070 0.000 1.095 285 S CB 0.976 64.198 63.200 0.037 0.000 1.007 285 S HN 0.335 nan 8.310 nan 0.000 0.474 286 I N 4.002 124.633 120.570 0.101 0.000 2.382 286 I HA 0.354 4.524 4.170 0.001 0.000 0.285 286 I C -1.073 175.085 176.117 0.068 0.000 1.007 286 I CA -0.405 60.959 61.300 0.108 0.000 1.142 286 I CB 0.955 39.036 38.000 0.135 0.000 1.289 286 I HN 0.332 nan 8.210 nan 0.000 0.453 287 L N 6.147 127.403 121.223 0.055 0.000 2.298 287 L HA 0.581 4.922 4.340 0.001 0.000 0.284 287 L C 0.756 177.644 176.870 0.029 0.000 1.013 287 L CA -0.657 54.204 54.840 0.034 0.000 0.824 287 L CB 1.427 43.501 42.059 0.024 0.000 1.221 287 L HN 0.600 nan 8.230 nan 0.000 0.418 288 G N 1.290 110.102 108.800 0.020 0.000 2.406 288 G HA2 0.367 4.327 3.960 0.001 0.000 0.251 288 G HA3 0.367 4.327 3.960 0.001 0.000 0.251 288 G C -0.434 174.480 174.900 0.024 0.000 1.271 288 G CA -0.058 45.052 45.100 0.017 0.000 0.859 288 G HN 0.472 nan 8.290 nan 0.000 0.540 289 S N 0.184 115.903 115.700 0.031 0.000 2.548 289 S HA 0.746 5.217 4.470 0.001 0.000 0.276 289 S C -0.567 174.068 174.600 0.059 0.000 1.129 289 S CA -0.587 57.637 58.200 0.041 0.000 0.931 289 S CB 1.731 64.954 63.200 0.038 0.000 1.068 289 S HN 0.632 nan 8.310 nan 0.000 0.480 290 T N 5.976 120.574 114.554 0.072 0.000 2.928 290 T HA 0.452 4.802 4.350 0.001 0.000 0.296 290 T C 0.069 174.849 174.700 0.132 0.000 1.000 290 T CA -0.567 61.598 62.100 0.108 0.000 0.989 290 T CB 1.121 70.063 68.868 0.123 0.000 1.005 290 T HN 0.765 nan 8.240 nan 0.000 0.442 291 M N 1.361 121.055 119.600 0.157 0.000 7.319 291 M HA -0.222 4.258 4.480 0.001 0.000 0.091 291 M C 0.150 176.529 176.300 0.131 0.000 0.480 291 M CA 1.549 56.955 55.300 0.177 0.000 1.311 291 M CB -1.833 30.947 32.600 0.300 0.000 0.421 291 M HN 1.141 nan 8.290 nan 0.000 0.164 292 A N -0.762 122.126 122.820 0.113 0.000 2.544 292 A HA 0.551 4.872 4.320 0.001 0.000 0.291 292 A C -0.366 177.238 177.584 0.034 0.000 1.055 292 A CA 0.324 52.408 52.037 0.079 0.000 0.651 292 A CB 0.652 19.731 19.000 0.132 0.000 1.296 292 A HN 1.344 nan 8.150 nan 0.000 0.431 293 S N -0.112 115.601 115.700 0.022 0.000 2.552 293 S HA 0.090 4.561 4.470 0.001 0.000 0.289 293 S C 1.037 175.632 174.600 -0.007 0.000 1.304 293 S CA 0.593 58.794 58.200 0.002 0.000 1.063 293 S CB 0.196 63.410 63.200 0.024 0.000 0.848 293 S HN 0.593 nan 8.310 nan 0.000 0.499 294 K N 2.565 122.966 120.400 0.001 0.000 2.281 294 K HA -0.106 4.215 4.320 0.001 0.000 0.203 294 K C 2.249 178.785 176.600 -0.107 0.000 1.046 294 K CA 1.474 57.738 56.287 -0.038 0.000 0.938 294 K CB -0.277 32.228 32.500 0.009 0.000 0.737 294 K HN 0.846 nan 8.250 nan 0.000 0.458 295 S N 0.475 116.170 115.700 -0.008 0.000 2.447 295 S HA -0.071 4.399 4.470 0.001 0.000 0.233 295 S C 1.805 176.381 174.600 -0.041 0.000 1.006 295 S CA 0.590 58.835 58.200 0.076 0.000 0.957 295 S CB -0.027 63.245 63.200 0.119 0.000 0.773 295 S HN 0.129 nan 8.310 nan 0.000 0.507 296 R N 1.022 121.426 120.500 -0.160 0.000 2.189 296 R HA 0.299 4.640 4.340 0.001 0.000 0.223 296 R C 2.149 178.200 176.300 -0.414 0.000 1.092 296 R CA 0.572 56.446 56.100 -0.376 0.000 0.989 296 R CB -1.068 28.979 30.300 -0.422 0.000 0.876 296 R HN 0.437 nan 8.270 nan 0.000 0.457 297 L N -0.501 120.506 121.223 -0.361 0.000 2.083 297 L HA -0.151 4.189 4.340 0.001 0.000 0.209 297 L C 1.467 178.137 176.870 -0.334 0.000 1.083 297 L CA 1.613 56.234 54.840 -0.366 0.000 0.752 297 L CB -0.258 41.532 42.059 -0.448 0.000 0.899 297 L HN 0.195 nan 8.230 nan 0.000 0.433 298 F N 0.947 120.830 119.950 -0.112 0.000 2.075 298 F HA -0.155 4.373 4.527 0.001 0.000 0.297 298 F C -0.040 175.668 175.800 -0.153 0.000 1.113 298 F CA 1.335 59.273 58.000 -0.104 0.000 1.218 298 F CB -1.942 37.011 39.000 -0.080 0.000 0.984 298 F HN 0.206 nan 8.300 nan 0.000 0.472 299 P HA -0.109 nan 4.420 nan 0.000 0.222 299 P C 1.684 178.932 177.300 -0.088 0.000 1.153 299 P CA 1.486 64.502 63.100 -0.140 0.000 0.798 299 P CB -0.095 31.537 31.700 -0.115 0.000 0.796 300 I N -0.384 120.112 120.570 -0.123 0.000 2.202 300 I HA -0.204 3.966 4.170 0.001 0.000 0.242 300 I C 2.619 178.759 176.117 0.039 0.000 1.091 300 I CA 1.205 62.533 61.300 0.048 0.000 1.368 300 I CB -0.584 37.394 38.000 -0.037 0.000 1.058 300 I HN -0.156 nan 8.210 nan 0.000 0.410 301 L N 0.014 121.208 121.223 -0.048 0.000 2.083 301 L HA -0.200 4.140 4.340 0.001 0.000 0.209 301 L C 2.726 179.573 176.870 -0.040 0.000 1.083 301 L CA 1.204 56.012 54.840 -0.053 0.000 0.752 301 L CB -0.568 41.469 42.059 -0.036 0.000 0.899 301 L HN 0.168 nan 8.230 nan 0.000 0.433 302 R N -0.172 120.280 120.500 -0.080 0.000 2.083 302 R HA -0.169 4.171 4.340 0.001 0.000 0.237 302 R C 2.288 178.504 176.300 -0.140 0.000 1.137 302 R CA 1.830 57.834 56.100 -0.159 0.000 0.951 302 R CB -0.336 29.785 30.300 -0.298 0.000 0.851 302 R HN 0.177 nan 8.270 nan 0.000 0.434 303 F N -0.558 119.414 119.950 0.038 0.000 2.269 303 F HA -0.194 4.334 4.527 0.001 0.000 0.301 303 F C 2.156 177.971 175.800 0.024 0.000 1.082 303 F CA 0.577 58.616 58.000 0.065 0.000 1.360 303 F CB 0.006 39.096 39.000 0.151 0.000 1.041 303 F HN -0.104 nan 8.300 nan 0.000 0.512 304 V N -0.549 119.442 119.914 0.127 0.000 2.591 304 V HA -0.222 3.898 4.120 0.001 0.000 0.249 304 V C 2.134 178.233 176.094 0.010 0.000 1.053 304 V CA 1.752 64.063 62.300 0.020 0.000 1.068 304 V CB -0.352 31.415 31.823 -0.093 0.000 0.689 304 V HN 0.271 nan 8.190 nan 0.000 0.462 305 E N 0.237 120.436 120.200 -0.000 0.000 2.107 305 E HA -0.188 4.162 4.350 0.001 0.000 0.191 305 E C 2.111 178.716 176.600 0.008 0.000 0.982 305 E CA 0.976 57.370 56.400 -0.012 0.000 0.809 305 E CB 0.029 29.713 29.700 -0.027 0.000 0.756 305 E HN 0.647 nan 8.360 nan 0.000 0.459 306 E N -1.220 119.000 120.200 0.032 0.000 2.347 306 E HA -0.019 4.332 4.350 0.001 0.000 0.196 306 E C 1.024 177.668 176.600 0.073 0.000 1.008 306 E CA 0.444 56.876 56.400 0.053 0.000 0.852 306 E CB 0.262 30.014 29.700 0.086 0.000 0.783 306 E HN 0.448 nan 8.360 nan 0.000 0.505 307 G N 1.352 110.198 108.800 0.078 0.000 2.175 307 G HA2 -0.333 3.628 3.960 0.001 0.000 0.244 307 G HA3 -0.333 3.628 3.960 0.001 0.000 0.244 307 G C 0.867 175.827 174.900 0.100 0.000 0.982 307 G CA 0.516 45.658 45.100 0.071 0.000 0.641 307 G HN 0.223 nan 8.290 nan 0.000 0.527 308 K N -0.637 119.856 120.400 0.156 0.000 2.365 308 K HA 0.306 4.626 4.320 0.001 0.000 0.199 308 K C 0.842 177.528 176.600 0.144 0.000 1.045 308 K CA 0.652 57.033 56.287 0.157 0.000 0.962 308 K CB 0.164 32.801 32.500 0.228 0.000 0.759 308 K HN 0.436 nan 8.250 nan 0.000 0.469 309 L N 1.284 122.602 121.223 0.159 0.000 2.422 309 L HA 0.358 4.699 4.340 0.001 0.000 0.264 309 L C -1.049 175.866 176.870 0.074 0.000 0.984 309 L CA -1.019 53.918 54.840 0.161 0.000 0.819 309 L CB 2.208 44.390 42.059 0.205 0.000 1.330 309 L HN -0.052 nan 8.230 nan 0.000 0.410 310 K N 1.681 122.148 120.400 0.112 0.000 2.426 310 K HA 0.687 5.008 4.320 0.001 0.000 0.251 310 K C -3.006 173.663 176.600 0.114 0.000 0.941 310 K CA -1.885 54.438 56.287 0.059 0.000 0.808 310 K CB 2.449 34.997 32.500 0.079 0.000 1.265 310 K HN 0.140 nan 8.250 nan 0.000 0.432 311 P HA 0.094 nan 4.420 nan 0.000 0.276 311 P C -0.566 176.822 177.300 0.148 0.000 1.244 311 P CA -0.565 62.604 63.100 0.116 0.000 0.801 311 P CB 1.019 32.729 31.700 0.016 0.000 1.006 312 V N 2.796 122.808 119.914 0.164 0.000 2.289 312 V HA 0.099 4.219 4.120 0.001 0.000 0.272 312 V C 0.263 176.404 176.094 0.079 0.000 1.026 312 V CA -0.659 61.715 62.300 0.123 0.000 0.807 312 V CB 1.437 33.328 31.823 0.114 0.000 1.044 312 V HN 0.243 nan 8.190 nan 0.000 0.443 313 V N 4.378 124.334 119.914 0.070 0.000 2.356 313 V HA 0.290 4.411 4.120 0.001 0.000 0.258 313 V C 1.554 177.680 176.094 0.054 0.000 1.065 313 V CA 0.664 62.991 62.300 0.045 0.000 0.935 313 V CB 0.785 32.628 31.823 0.033 0.000 1.061 313 V HN 0.849 nan 8.190 nan 0.000 0.484 314 G N 4.201 113.031 108.800 0.049 0.000 2.408 314 G HA2 0.006 3.966 3.960 0.001 0.000 0.215 314 G HA3 0.006 3.966 3.960 0.001 0.000 0.215 314 G C 0.516 175.439 174.900 0.040 0.000 1.156 314 G CA 0.358 45.499 45.100 0.069 0.000 0.793 314 G HN 0.596 nan 8.290 nan 0.000 0.535 315 Q N -1.318 118.491 119.800 0.016 0.000 2.435 315 Q HA 0.478 4.819 4.340 0.001 0.000 0.282 315 Q C -1.647 174.347 176.000 -0.009 0.000 1.020 315 Q CA -0.832 54.973 55.803 0.004 0.000 0.820 315 Q CB 3.182 31.920 28.738 -0.000 0.000 1.436 315 Q HN 0.189 nan 8.270 nan 0.000 0.395 316 V N -0.752 119.155 119.914 -0.012 0.000 2.709 316 V HA 0.769 4.890 4.120 0.001 0.000 0.308 316 V C -1.406 174.670 176.094 -0.030 0.000 1.062 316 V CA -0.723 61.563 62.300 -0.023 0.000 0.901 316 V CB 1.844 33.658 31.823 -0.015 0.000 1.003 316 V HN 0.536 nan 8.190 nan 0.000 0.425 317 L N 3.662 124.857 121.223 -0.046 0.000 2.359 317 L HA 0.763 5.104 4.340 0.001 0.000 0.256 317 L C -2.662 174.168 176.870 -0.067 0.000 1.026 317 L CA -1.830 52.980 54.840 -0.051 0.000 0.828 317 L CB 2.410 44.437 42.059 -0.054 0.000 1.406 317 L HN 0.520 nan 8.230 nan 0.000 0.413 318 P HA 0.069 nan 4.420 nan 0.000 0.275 318 P C 1.064 178.303 177.300 -0.102 0.000 1.228 318 P CA -0.462 62.594 63.100 -0.073 0.000 0.786 318 P CB 1.295 32.961 31.700 -0.058 0.000 0.927 319 L N 3.017 124.168 121.223 -0.119 0.000 2.034 319 L HA -0.223 4.118 4.340 0.001 0.000 0.217 319 L C 1.903 178.690 176.870 -0.140 0.000 1.077 319 L CA 2.430 57.175 54.840 -0.158 0.000 0.769 319 L CB -0.974 41.002 42.059 -0.138 0.000 0.890 319 L HN 0.437 nan 8.230 nan 0.000 0.435 320 E N 0.312 120.455 120.200 -0.095 0.000 2.401 320 E HA -0.136 4.214 4.350 0.001 0.000 0.199 320 E C 1.501 178.056 176.600 -0.075 0.000 1.023 320 E CA 1.011 57.366 56.400 -0.075 0.000 0.859 320 E CB -0.491 29.176 29.700 -0.055 0.000 0.780 320 E HN 0.589 nan 8.360 nan 0.000 0.523 321 A N 0.928 123.699 122.820 -0.083 0.000 2.462 321 A HA 0.555 4.876 4.320 0.001 0.000 0.261 321 A C 2.036 179.569 177.584 -0.086 0.000 1.323 321 A CA 0.482 52.477 52.037 -0.070 0.000 0.913 321 A CB -0.240 18.727 19.000 -0.056 0.000 1.028 321 A HN 0.247 nan 8.150 nan 0.000 0.511 322 A N 0.367 123.112 122.820 -0.125 0.000 1.927 322 A HA -0.030 4.290 4.320 0.001 0.000 0.220 322 A C 2.458 179.970 177.584 -0.119 0.000 1.185 322 A CA 2.245 54.187 52.037 -0.158 0.000 0.639 322 A CB -0.881 18.004 19.000 -0.191 0.000 0.820 322 A HN 1.181 nan 8.150 nan 0.000 0.451 323 A N -0.700 122.049 122.820 -0.119 0.000 1.865 323 A HA -0.243 4.077 4.320 0.001 0.000 0.217 323 A C 2.046 179.618 177.584 -0.020 0.000 1.191 323 A CA 1.947 53.924 52.037 -0.100 0.000 0.623 323 A CB -0.675 18.283 19.000 -0.070 0.000 0.826 323 A HN 0.667 nan 8.150 nan 0.000 0.444 324 E N -0.833 119.355 120.200 -0.020 0.000 2.118 324 E HA -0.153 4.197 4.350 0.001 0.000 0.195 324 E C 2.065 178.675 176.600 0.016 0.000 0.992 324 E CA 0.969 57.367 56.400 -0.003 0.000 0.804 324 E CB -0.385 29.305 29.700 -0.016 0.000 0.741 324 E HN 0.574 nan 8.360 nan 0.000 0.458 325 G N -0.354 108.457 108.800 0.018 0.000 2.418 325 G HA2 -0.267 3.693 3.960 0.001 0.000 0.217 325 G HA3 -0.267 3.693 3.960 0.001 0.000 0.217 325 G C 1.282 176.239 174.900 0.095 0.000 1.158 325 G CA 0.968 46.089 45.100 0.035 0.000 0.771 325 G HN 0.390 nan 8.290 nan 0.000 0.545 326 H N 0.122 119.167 119.070 -0.041 0.000 2.389 326 H HA 0.019 4.576 4.556 0.001 0.000 0.299 326 H C 2.975 178.280 175.328 -0.039 0.000 1.081 326 H CA 0.839 56.863 56.048 -0.039 0.000 1.345 326 H CB 0.269 30.023 29.762 -0.014 0.000 1.393 326 H HN 0.261 nan 8.280 nan 0.000 0.520 327 R N 0.381 120.940 120.500 0.098 0.000 2.148 327 R HA -0.051 4.290 4.340 0.001 0.000 0.227 327 R C 2.401 178.713 176.300 0.020 0.000 1.103 327 R CA 0.487 56.615 56.100 0.046 0.000 0.983 327 R CB -0.014 30.307 30.300 0.034 0.000 0.874 327 R HN 0.262 nan 8.270 nan 0.000 0.451 328 L N -0.140 121.091 121.223 0.012 0.000 2.141 328 L HA -0.169 4.171 4.340 0.001 0.000 0.209 328 L C 1.772 178.631 176.870 -0.018 0.000 1.094 328 L CA 0.815 55.654 54.840 -0.003 0.000 0.763 328 L CB -0.208 41.845 42.059 -0.010 0.000 0.908 328 L HN 0.173 nan 8.230 nan 0.000 0.437 329 L N -0.540 120.654 121.223 -0.048 0.000 2.068 329 L HA -0.117 4.223 4.340 0.001 0.000 0.204 329 L C 2.431 179.281 176.870 -0.034 0.000 1.076 329 L CA 1.525 56.319 54.840 -0.077 0.000 0.753 329 L CB -0.446 41.494 42.059 -0.198 0.000 0.910 329 L HN 0.136 nan 8.230 nan 0.000 0.439 330 E N -0.413 119.763 120.200 -0.040 0.000 2.265 330 E HA -0.214 4.136 4.350 0.001 0.000 0.196 330 E C 1.319 177.924 176.600 0.008 0.000 0.996 330 E CA 0.994 57.382 56.400 -0.020 0.000 0.832 330 E CB 0.027 29.723 29.700 -0.008 0.000 0.756 330 E HN 0.553 nan 8.360 nan 0.000 0.491 331 E N 0.730 120.937 120.200 0.012 0.000 2.476 331 E HA 0.008 4.359 4.350 0.001 0.000 0.196 331 E C -0.599 176.019 176.600 0.029 0.000 1.029 331 E CA -0.265 56.149 56.400 0.022 0.000 0.896 331 E CB 0.250 29.963 29.700 0.022 0.000 1.012 331 E HN 0.127 nan 8.360 nan 0.000 0.475 332 R N 0.825 121.342 120.500 0.028 0.000 2.884 332 R HA -0.248 4.092 4.340 0.001 0.000 0.251 332 R C -0.507 175.818 176.300 0.042 0.000 0.870 332 R CA 0.693 56.818 56.100 0.040 0.000 0.647 332 R CB -2.204 28.130 30.300 0.058 0.000 1.415 332 R HN 0.279 nan 8.270 nan 0.000 0.513 333 R N -0.099 120.420 120.500 0.032 0.000 2.535 333 R HA 0.294 4.635 4.340 0.001 0.000 0.323 333 R C 0.122 176.449 176.300 0.045 0.000 0.979 333 R CA 0.175 56.298 56.100 0.038 0.000 1.120 333 R CB 1.329 31.645 30.300 0.028 0.000 1.306 333 R HN 0.254 nan 8.270 nan 0.000 0.540 334 V N 0.805 120.744 119.914 0.042 0.000 2.709 334 V HA 0.410 4.531 4.120 0.001 0.000 0.308 334 V C -1.511 174.631 176.094 0.080 0.000 1.062 334 V CA -1.094 61.241 62.300 0.058 0.000 0.901 334 V CB 1.741 33.576 31.823 0.020 0.000 1.003 334 V HN 0.135 nan 8.190 nan 0.000 0.425 335 F N 7.683 127.622 119.950 -0.018 0.000 2.404 335 F HA 0.715 5.243 4.527 0.001 0.000 0.359 335 F C 0.672 176.458 175.800 -0.022 0.000 1.134 335 F CA 1.268 59.254 58.000 -0.023 0.000 1.160 335 F CB 0.234 39.221 39.000 -0.022 0.000 1.186 335 F HN 1.106 nan 8.300 nan 0.000 0.526 336 G N 4.234 112.776 108.800 -0.431 0.000 2.416 336 G HA2 -0.130 3.831 3.960 0.001 0.000 0.203 336 G HA3 -0.130 3.831 3.960 0.001 0.000 0.203 336 G C -1.259 173.549 174.900 -0.153 0.000 1.227 336 G CA -0.973 43.952 45.100 -0.291 0.000 1.041 336 G HN 0.705 nan 8.290 nan 0.000 0.546 337 K N -0.774 119.578 120.400 -0.080 0.000 2.098 337 K HA 0.706 5.026 4.320 0.001 0.000 0.261 337 K C -0.047 176.522 176.600 -0.051 0.000 0.987 337 K CA -0.335 55.911 56.287 -0.068 0.000 0.916 337 K CB 1.617 34.101 32.500 -0.027 0.000 1.039 337 K HN 0.692 nan 8.250 nan 0.000 0.455 338 V N 3.339 123.210 119.914 -0.071 0.000 2.384 338 V HA 0.430 4.550 4.120 0.001 0.000 0.287 338 V C -0.757 175.300 176.094 -0.061 0.000 1.020 338 V CA -0.869 61.394 62.300 -0.061 0.000 0.850 338 V CB 1.550 33.326 31.823 -0.078 0.000 0.987 338 V HN 0.419 nan 8.190 nan 0.000 0.436 339 V N 5.992 125.876 119.914 -0.049 0.000 2.680 339 V HA 0.525 4.645 4.120 0.001 0.000 0.309 339 V C -0.659 175.389 176.094 -0.076 0.000 1.052 339 V CA -0.793 61.475 62.300 -0.054 0.000 0.908 339 V CB 2.035 33.843 31.823 -0.024 0.000 1.001 339 V HN 0.548 nan 8.190 nan 0.000 0.431 340 L N 4.165 125.321 121.223 -0.112 0.000 2.272 340 L HA 0.471 4.811 4.340 0.001 0.000 0.289 340 L C 0.229 177.034 176.870 -0.109 0.000 1.032 340 L CA -0.156 54.599 54.840 -0.142 0.000 0.810 340 L CB 1.508 43.415 42.059 -0.254 0.000 1.205 340 L HN 0.848 nan 8.230 nan 0.000 0.422 341 Q N 2.688 122.435 119.800 -0.088 0.000 2.288 341 Q HA 0.591 4.931 4.340 0.001 0.000 0.258 341 Q C -0.960 174.979 176.000 -0.101 0.000 0.957 341 Q CA -0.503 55.255 55.803 -0.075 0.000 0.919 341 Q CB 1.231 29.937 28.738 -0.053 0.000 1.185 341 Q HN 0.338 nan 8.270 nan 0.000 0.408 342 V N 2.705 122.547 119.914 -0.120 0.000 2.581 342 V HA 0.816 4.936 4.120 0.001 0.000 0.303 342 V C 0.713 176.713 176.094 -0.156 0.000 1.041 342 V CA 0.339 62.555 62.300 -0.140 0.000 0.907 342 V CB 0.899 32.629 31.823 -0.156 0.000 0.994 342 V HN 1.142 nan 8.190 nan 0.000 0.442 343 G N 0.000 108.715 108.800 -0.142 0.000 5.446 343 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 343 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 343 G CA 0.000 45.016 45.100 -0.139 0.000 0.502 343 G HN 0.000 nan 8.290 nan 0.000 0.925