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 1l0v_1_M DATA FIRST_RESID 0 DATA SEQUENCE MQTFQADLAI VGAGGAGLRA AIAAAQANPN AKIALISKVY PMRSHTVAAE DATA SEQUENCE GGSAAVAQDH DSFEYHFHDT VAGGDWLCEQ DVVDYFVHHC PTEMTQLELW DATA SEQUENCE GCPWSRRPDG SVNVRRFGGM KIERTWFAAD KTGFHMLHTL FQTSLQFPQI DATA SEQUENCE QRFDEHFVLD ILVDDGHVRG LVAMNMMEGT LVQIRANAVV MATGGAGRVY DATA SEQUENCE RYNTNGGIVT GDGMGMALSH GVPLRDMEFV QYHPTGLPGS GILMTEGCRG DATA SEQUENCE EGGILVNKNG YRYLQDYGMG PETPLGEPKN KYMELGPRDK VSQAFWHEWR DATA SEQUENCE KGNTISTPRG DVVYLDLRHL GEKKLHERLP FICELAKAYV GVDPVKEPIP DATA SEQUENCE VRPTAHYTMG GIETDQNCET RIKGLFAVGE CSSVGLHGAN RLGSNSLAEL DATA SEQUENCE VVFGRLAGEQ ATERAATAGN GNEAAIEAQA AGVEQRLKDL VNQDGGENWA DATA SEQUENCE KIRDEMGLAM EEGCGIYRTP ELMQKTIDKL AELQERFKRV RITDTSSVFN DATA SEQUENCE TDLLYTIELG HGLNVAECMA HSAMARKESR GAHQRLDEGC TERDDVNFLK DATA SEQUENCE HTLAFRDADG TTRLEYSDVK ITTLPPA 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 0 M HA 0.000 nan 4.480 nan 0.000 0.227 0 M C 0.000 176.353 176.300 0.088 0.000 1.140 0 M CA 0.000 55.339 55.300 0.064 0.000 0.988 0 M CB 0.000 32.626 32.600 0.043 0.000 1.302 1 Q N 1.468 121.343 119.800 0.125 0.000 2.650 1 Q HA 0.507 4.842 4.340 -0.008 0.000 0.239 1 Q C -0.899 175.254 176.000 0.255 0.000 0.893 1 Q CA -0.195 55.723 55.803 0.191 0.000 0.755 1 Q CB 2.043 30.957 28.738 0.294 0.000 1.349 1 Q HN 0.781 nan 8.270 nan 0.000 0.461 2 T N 1.954 116.588 114.554 0.133 0.000 2.923 2 T HA 0.050 4.395 4.350 -0.008 0.000 0.304 2 T C -0.688 174.098 174.700 0.143 0.000 1.044 2 T CA 0.917 63.077 62.100 0.099 0.000 1.141 2 T CB 0.090 68.965 68.868 0.013 0.000 1.023 2 T HN 0.259 nan 8.240 nan 0.000 0.533 3 F N 2.869 122.765 119.950 -0.089 0.000 2.771 3 F HA 0.269 4.793 4.527 -0.005 0.000 0.365 3 F C 0.716 176.451 175.800 -0.108 0.000 1.169 3 F CA -0.857 57.082 58.000 -0.101 0.000 1.093 3 F CB 1.128 40.025 39.000 -0.172 0.000 1.363 3 F HN 0.496 nan 8.300 nan 0.000 0.496 4 Q N 1.899 121.667 119.800 -0.052 0.000 2.539 4 Q HA 0.538 4.873 4.340 -0.008 0.000 0.268 4 Q C -0.253 175.738 176.000 -0.014 0.000 1.109 4 Q CA 0.545 56.323 55.803 -0.042 0.000 0.968 4 Q CB 1.064 29.759 28.738 -0.071 0.000 1.309 4 Q HN 0.752 nan 8.270 nan 0.000 0.497 5 A N 0.963 123.768 122.820 -0.024 0.000 2.549 5 A HA 0.229 4.544 4.320 -0.008 0.000 0.291 5 A C -0.837 176.727 177.584 -0.032 0.000 1.034 5 A CA -0.654 51.370 52.037 -0.023 0.000 0.655 5 A CB 0.669 19.652 19.000 -0.028 0.000 1.299 5 A HN 0.655 nan 8.150 nan 0.000 0.427 6 D N -0.231 120.149 120.400 -0.035 0.000 2.154 6 D HA 0.184 4.819 4.640 -0.008 0.000 0.211 6 D C 0.684 176.948 176.300 -0.059 0.000 0.977 6 D CA 2.285 56.260 54.000 -0.042 0.000 0.869 6 D CB 0.031 40.807 40.800 -0.039 0.000 1.022 6 D HN 0.742 nan 8.370 nan 0.000 0.461 7 L N -1.613 119.565 121.223 -0.075 0.000 2.518 7 L HA 0.811 5.147 4.340 -0.008 0.000 0.262 7 L C -0.319 176.489 176.870 -0.103 0.000 0.982 7 L CA -1.133 53.639 54.840 -0.112 0.000 0.873 7 L CB 1.642 43.604 42.059 -0.163 0.000 1.198 7 L HN -0.182 nan 8.230 nan 0.000 0.427 8 A N 4.073 126.837 122.820 -0.093 0.000 2.364 8 A HA 0.769 5.084 4.320 -0.008 0.000 0.258 8 A C -0.096 177.441 177.584 -0.079 0.000 1.131 8 A CA 0.005 51.992 52.037 -0.083 0.000 0.800 8 A CB 0.446 19.393 19.000 -0.087 0.000 1.086 8 A HN 0.802 nan 8.150 nan 0.000 0.508 9 I N -0.252 120.287 120.570 -0.053 0.000 2.637 9 I HA 0.157 4.322 4.170 -0.008 0.000 0.285 9 I C -1.247 174.871 176.117 0.001 0.000 1.222 9 I CA -0.306 60.978 61.300 -0.026 0.000 1.067 9 I CB 2.187 40.179 38.000 -0.013 0.000 1.279 9 I HN 0.278 nan 8.210 nan 0.000 0.441 10 V N 5.914 125.832 119.914 0.007 0.000 2.304 10 V HA 0.819 4.934 4.120 -0.008 0.000 0.269 10 V C 0.523 176.644 176.094 0.046 0.000 1.036 10 V CA -0.054 62.264 62.300 0.029 0.000 0.840 10 V CB 0.577 32.412 31.823 0.021 0.000 1.036 10 V HN 1.026 nan 8.190 nan 0.000 0.466 11 G N 4.185 113.023 108.800 0.063 0.000 2.906 11 G HA2 0.351 4.307 3.960 -0.008 0.000 0.686 11 G HA3 0.351 4.307 3.960 -0.008 0.000 0.686 11 G C -0.354 174.593 174.900 0.079 0.000 1.170 11 G CA -0.292 44.849 45.100 0.068 0.000 0.775 11 G HN 1.440 nan 8.290 nan 0.000 0.630 12 A N 1.442 124.318 122.820 0.094 0.000 3.105 12 A HA 0.818 5.133 4.320 -0.008 0.000 0.297 12 A C 1.280 178.934 177.584 0.118 0.000 0.977 12 A CA 1.047 53.153 52.037 0.115 0.000 1.020 12 A CB -0.154 18.936 19.000 0.151 0.000 1.098 12 A HN 2.237 nan 8.150 nan 0.000 0.497 13 G N 0.029 108.891 108.800 0.104 0.000 2.447 13 G HA2 0.337 4.292 3.960 -0.008 0.000 0.269 13 G HA3 0.337 4.292 3.960 -0.008 0.000 0.269 13 G C 1.210 176.185 174.900 0.125 0.000 1.455 13 G CA 0.236 45.404 45.100 0.112 0.000 1.061 13 G HN 0.759 nan 8.290 nan 0.000 0.545 14 G N -0.840 108.038 108.800 0.129 0.000 2.471 14 G HA2 0.165 4.120 3.960 -0.008 0.000 0.219 14 G HA3 0.165 4.120 3.960 -0.008 0.000 0.219 14 G C 1.532 176.507 174.900 0.124 0.000 1.125 14 G CA 1.802 46.981 45.100 0.132 0.000 0.775 14 G HN 0.846 nan 8.290 nan 0.000 0.548 15 A N 0.446 123.337 122.820 0.119 0.000 1.944 15 A HA 0.461 4.776 4.320 -0.008 0.000 0.209 15 A C 2.645 180.291 177.584 0.103 0.000 1.328 15 A CA 1.385 53.490 52.037 0.114 0.000 0.693 15 A CB -0.970 18.101 19.000 0.119 0.000 0.994 15 A HN 0.412 nan 8.150 nan 0.000 0.485 16 G N 0.386 109.243 108.800 0.095 0.000 2.556 16 G HA2 -0.309 3.646 3.960 -0.008 0.000 0.220 16 G HA3 -0.309 3.646 3.960 -0.008 0.000 0.220 16 G C 1.612 176.567 174.900 0.092 0.000 1.156 16 G CA 1.308 46.458 45.100 0.082 0.000 0.766 16 G HN 0.434 nan 8.290 nan 0.000 0.583 17 L N -0.148 121.145 121.223 0.117 0.000 2.017 17 L HA -0.041 4.295 4.340 -0.008 0.000 0.208 17 L C 2.918 179.868 176.870 0.132 0.000 1.073 17 L CA 1.809 56.733 54.840 0.140 0.000 0.745 17 L CB -0.196 41.968 42.059 0.175 0.000 0.894 17 L HN 0.234 nan 8.230 nan 0.000 0.432 18 R N 0.537 121.119 120.500 0.138 0.000 2.193 18 R HA -0.110 4.225 4.340 -0.008 0.000 0.229 18 R C 1.918 178.277 176.300 0.098 0.000 1.110 18 R CA 1.470 57.658 56.100 0.146 0.000 0.988 18 R CB -0.777 29.595 30.300 0.120 0.000 0.871 18 R HN 0.506 nan 8.270 nan 0.000 0.458 19 A N 0.332 123.194 122.820 0.070 0.000 1.851 19 A HA -0.053 4.262 4.320 -0.008 0.000 0.216 19 A C 2.237 179.822 177.584 0.001 0.000 1.195 19 A CA 1.782 53.837 52.037 0.030 0.000 0.622 19 A CB -1.132 17.882 19.000 0.023 0.000 0.831 19 A HN 0.429 nan 8.150 nan 0.000 0.444 20 A N -1.323 121.501 122.820 0.006 0.000 2.239 20 A HA 0.281 4.596 4.320 -0.008 0.000 0.209 20 A C 1.784 179.324 177.584 -0.073 0.000 1.171 20 A CA 0.876 52.898 52.037 -0.025 0.000 0.768 20 A CB -0.478 18.521 19.000 -0.000 0.000 0.790 20 A HN 0.522 nan 8.150 nan 0.000 0.478 21 I N -1.667 118.861 120.570 -0.069 0.000 3.039 21 I HA 0.006 4.172 4.170 -0.008 0.000 0.270 21 I C 2.574 178.555 176.117 -0.226 0.000 1.150 21 I CA 0.842 62.007 61.300 -0.226 0.000 1.448 21 I CB -0.068 37.845 38.000 -0.145 0.000 1.197 21 I HN 0.267 nan 8.210 nan 0.000 0.450 22 A N 0.782 123.585 122.820 -0.029 0.000 2.168 22 A HA 0.183 4.498 4.320 -0.008 0.000 0.215 22 A C 1.835 179.390 177.584 -0.049 0.000 1.152 22 A CA 1.124 53.164 52.037 0.006 0.000 0.716 22 A CB -0.418 18.621 19.000 0.066 0.000 0.794 22 A HN 0.346 nan 8.150 nan 0.000 0.465 23 A N -1.300 121.473 122.820 -0.078 0.000 2.640 23 A HA 0.679 4.994 4.320 -0.008 0.000 0.282 23 A C 1.204 178.730 177.584 -0.096 0.000 1.357 23 A CA 0.750 52.740 52.037 -0.079 0.000 0.946 23 A CB -0.577 18.374 19.000 -0.082 0.000 1.065 23 A HN 0.839 nan 8.150 nan 0.000 0.541 24 A N -0.950 121.786 122.820 -0.140 0.000 1.773 24 A HA 0.192 4.507 4.320 -0.008 0.000 0.210 24 A C 1.209 178.735 177.584 -0.096 0.000 1.775 24 A CA 0.146 52.092 52.037 -0.153 0.000 1.157 24 A CB -0.068 18.723 19.000 -0.349 0.000 1.119 24 A HN 0.360 nan 8.150 nan 0.000 0.501 25 Q N 0.296 120.010 119.800 -0.144 0.000 2.319 25 Q HA 0.436 4.772 4.340 -0.008 0.000 0.217 25 Q C 0.879 176.884 176.000 0.009 0.000 0.924 25 Q CA 0.424 56.214 55.803 -0.021 0.000 0.964 25 Q CB -0.052 28.677 28.738 -0.015 0.000 1.025 25 Q HN 0.651 nan 8.270 nan 0.000 0.465 26 A N 0.461 123.278 122.820 -0.005 0.000 1.704 26 A HA 0.074 4.389 4.320 -0.008 0.000 0.211 26 A C 0.714 178.299 177.584 0.001 0.000 1.792 26 A CA -0.183 51.856 52.037 0.003 0.000 1.264 26 A CB 0.415 19.413 19.000 -0.004 0.000 1.235 26 A HN 0.238 nan 8.150 nan 0.000 0.440 27 N N 0.692 119.386 118.700 -0.010 0.000 2.806 27 N HA 0.328 5.063 4.740 -0.008 0.000 0.315 27 N C -2.300 173.211 175.510 0.002 0.000 1.738 27 N CA -2.102 50.943 53.050 -0.008 0.000 0.993 27 N CB 0.542 39.017 38.487 -0.021 0.000 1.324 27 N HN -0.019 nan 8.380 nan 0.000 0.493 28 P HA -0.161 nan 4.420 nan 0.000 0.219 28 P C 0.310 177.622 177.300 0.020 0.000 1.151 28 P CA 1.360 64.478 63.100 0.030 0.000 0.850 28 P CB 0.182 31.901 31.700 0.032 0.000 0.784 29 N N -1.749 116.956 118.700 0.009 0.000 2.295 29 N HA 0.248 4.983 4.740 -0.008 0.000 0.221 29 N C -0.119 175.391 175.510 -0.001 0.000 1.129 29 N CA -0.278 52.775 53.050 0.004 0.000 0.836 29 N CB -0.123 38.364 38.487 -0.001 0.000 1.040 29 N HN 0.006 nan 8.380 nan 0.000 0.494 30 A N 0.461 123.280 122.820 -0.002 0.000 2.304 30 A HA 0.327 4.642 4.320 -0.008 0.000 0.271 30 A C 0.198 177.781 177.584 -0.001 0.000 1.091 30 A CA -0.208 51.823 52.037 -0.010 0.000 0.812 30 A CB 0.518 19.506 19.000 -0.021 0.000 1.056 30 A HN 0.131 nan 8.150 nan 0.000 0.489 31 K N 2.908 123.306 120.400 -0.004 0.000 2.624 31 K HA 0.372 4.688 4.320 -0.008 0.000 0.200 31 K C -1.150 175.455 176.600 0.009 0.000 1.036 31 K CA -0.089 56.205 56.287 0.011 0.000 1.029 31 K CB -0.070 32.437 32.500 0.012 0.000 1.317 31 K HN 0.675 nan 8.250 nan 0.000 0.555 32 I N 1.335 121.910 120.570 0.007 0.000 2.577 32 I HA 0.449 4.615 4.170 -0.008 0.000 0.300 32 I C 0.197 176.323 176.117 0.015 0.000 0.990 32 I CA -0.994 60.303 61.300 -0.004 0.000 1.283 32 I CB 1.698 39.690 38.000 -0.013 0.000 1.411 32 I HN 0.405 nan 8.210 nan 0.000 0.515 33 A N 5.945 128.756 122.820 -0.015 0.000 2.357 33 A HA 0.728 5.044 4.320 -0.008 0.000 0.295 33 A C -1.118 176.474 177.584 0.013 0.000 1.121 33 A CA -0.421 51.611 52.037 -0.008 0.000 0.742 33 A CB 0.773 19.668 19.000 -0.174 0.000 1.181 33 A HN 0.517 nan 8.150 nan 0.000 0.454 34 L N 3.847 125.130 121.223 0.099 0.000 2.264 34 L HA 0.471 4.806 4.340 -0.008 0.000 0.287 34 L C 0.233 177.214 176.870 0.185 0.000 1.039 34 L CA 0.075 54.982 54.840 0.112 0.000 0.829 34 L CB 1.011 43.137 42.059 0.111 0.000 1.211 34 L HN 0.758 nan 8.230 nan 0.000 0.427 35 I N 1.581 122.257 120.570 0.176 0.000 2.783 35 I HA 0.755 4.920 4.170 -0.008 0.000 0.312 35 I C -0.094 176.116 176.117 0.155 0.000 0.988 35 I CA 0.224 61.670 61.300 0.243 0.000 1.182 35 I CB 1.611 39.776 38.000 0.275 0.000 1.368 35 I HN 0.631 nan 8.210 nan 0.000 0.511 36 S N 2.265 118.045 115.700 0.133 0.000 2.655 36 S HA 0.311 4.776 4.470 -0.008 0.000 0.266 36 S C -0.855 173.746 174.600 0.002 0.000 1.149 36 S CA -0.762 57.475 58.200 0.061 0.000 0.818 36 S CB 1.485 64.705 63.200 0.034 0.000 1.130 36 S HN 0.753 nan 8.310 nan 0.000 0.476 37 K N -0.089 120.270 120.400 -0.068 0.000 2.536 37 K HA 0.541 4.857 4.320 -0.008 0.000 0.203 37 K C -0.430 176.084 176.600 -0.143 0.000 1.063 37 K CA -0.240 55.946 56.287 -0.169 0.000 1.063 37 K CB 0.619 32.917 32.500 -0.337 0.000 0.843 37 K HN 0.505 nan 8.250 nan 0.000 0.521 38 V N -2.244 117.616 119.914 -0.091 0.000 2.966 38 V HA 0.374 4.489 4.120 -0.008 0.000 0.288 38 V C -0.848 175.250 176.094 0.007 0.000 1.380 38 V CA -1.358 60.946 62.300 0.007 0.000 0.966 38 V CB 0.264 32.113 31.823 0.044 0.000 1.115 38 V HN 0.130 nan 8.190 nan 0.000 0.436 39 Y N 3.508 123.808 120.300 0.001 0.000 2.748 39 Y HA 0.173 4.719 4.550 -0.008 0.000 0.352 39 Y C -1.396 174.468 175.900 -0.060 0.000 1.274 39 Y CA 0.090 58.181 58.100 -0.015 0.000 1.472 39 Y CB -0.177 38.260 38.460 -0.039 0.000 1.350 39 Y HN 0.491 nan 8.280 nan 0.000 0.672 40 P HA -0.076 nan 4.420 nan 0.000 0.269 40 P C 0.514 177.634 177.300 -0.301 0.000 1.376 40 P CA 1.250 64.338 63.100 -0.020 0.000 0.775 40 P CB -0.268 31.611 31.700 0.299 0.000 1.345 41 M N -4.148 115.279 119.600 -0.288 0.000 2.188 41 M HA 0.250 4.725 4.480 -0.008 0.000 0.310 41 M C 0.909 177.231 176.300 0.037 0.000 0.993 41 M CA 0.205 55.382 55.300 -0.205 0.000 1.127 41 M CB 0.482 32.847 32.600 -0.392 0.000 1.927 41 M HN -0.270 nan 8.290 nan 0.000 0.655 42 R N 2.121 122.642 120.500 0.035 0.000 2.541 42 R HA 0.319 4.654 4.340 -0.008 0.000 0.245 42 R C 0.194 176.537 176.300 0.073 0.000 1.154 42 R CA -0.141 56.001 56.100 0.070 0.000 1.179 42 R CB -0.225 30.124 30.300 0.082 0.000 1.189 42 R HN 0.366 nan 8.270 nan 0.000 0.526 43 S N 0.301 116.049 115.700 0.080 0.000 2.375 43 S HA -0.068 4.397 4.470 -0.008 0.000 0.231 43 S C 1.111 175.792 174.600 0.134 0.000 1.319 43 S CA 0.180 58.442 58.200 0.103 0.000 0.983 43 S CB 0.067 63.334 63.200 0.111 0.000 0.889 43 S HN 0.501 nan 8.310 nan 0.000 0.489 44 H N -0.826 118.279 119.070 0.057 0.000 3.017 44 H HA 0.257 4.808 4.556 -0.008 0.000 0.255 44 H C 1.592 176.965 175.328 0.074 0.000 0.990 44 H CA 0.559 56.639 56.048 0.054 0.000 1.205 44 H CB -0.180 29.602 29.762 0.032 0.000 1.460 44 H HN 0.440 nan 8.280 nan 0.000 0.478 45 T N -0.021 114.646 114.554 0.188 0.000 2.977 45 T HA -0.148 4.197 4.350 -0.008 0.000 0.271 45 T C 1.973 176.748 174.700 0.125 0.000 1.105 45 T CA 1.083 63.279 62.100 0.161 0.000 1.116 45 T CB -0.276 68.684 68.868 0.154 0.000 0.878 45 T HN 0.205 nan 8.240 nan 0.000 0.509 46 V N 1.527 121.503 119.914 0.103 0.000 2.323 46 V HA -0.026 4.089 4.120 -0.008 0.000 0.244 46 V C 2.618 178.764 176.094 0.087 0.000 1.041 46 V CA 1.804 64.187 62.300 0.139 0.000 1.025 46 V CB -0.942 30.961 31.823 0.133 0.000 0.656 46 V HN 0.490 nan 8.190 nan 0.000 0.451 47 A N 0.353 123.142 122.820 -0.052 0.000 2.070 47 A HA 0.230 4.546 4.320 -0.008 0.000 0.220 47 A C 1.483 179.037 177.584 -0.051 0.000 1.159 47 A CA 0.998 52.952 52.037 -0.138 0.000 0.656 47 A CB -0.954 17.773 19.000 -0.456 0.000 0.800 47 A HN 0.979 nan 8.150 nan 0.000 0.453 48 A N -0.051 122.794 122.820 0.041 0.000 2.546 48 A HA 0.298 4.613 4.320 -0.008 0.000 0.243 48 A C 0.777 178.424 177.584 0.104 0.000 1.063 48 A CA 0.548 52.646 52.037 0.101 0.000 0.757 48 A CB 0.079 19.165 19.000 0.144 0.000 0.991 48 A HN 0.593 nan 8.150 nan 0.000 0.503 49 E N 2.294 122.550 120.200 0.094 0.000 2.288 49 E HA 0.062 4.407 4.350 -0.008 0.000 0.200 49 E C 2.062 178.735 176.600 0.121 0.000 0.880 49 E CA 0.590 57.052 56.400 0.103 0.000 0.971 49 E CB -0.004 29.715 29.700 0.032 0.000 0.954 49 E HN 0.777 nan 8.360 nan 0.000 0.489 50 G N 1.289 110.146 108.800 0.093 0.000 2.524 50 G HA2 0.153 4.108 3.960 -0.008 0.000 0.215 50 G HA3 0.153 4.108 3.960 -0.008 0.000 0.215 50 G C 0.684 175.350 174.900 -0.389 0.000 1.239 50 G CA 0.960 45.937 45.100 -0.204 0.000 0.798 50 G HN 0.450 nan 8.290 nan 0.000 0.557 51 G N -2.306 106.372 108.800 -0.203 0.000 2.320 51 G HA2 0.434 4.389 3.960 -0.008 0.000 0.296 51 G HA3 0.434 4.389 3.960 -0.008 0.000 0.296 51 G C -1.504 173.442 174.900 0.078 0.000 1.306 51 G CA 0.510 45.603 45.100 -0.011 0.000 0.836 51 G HN 0.787 nan 8.290 nan 0.000 0.517 52 S N -0.824 114.961 115.700 0.141 0.000 2.707 52 S HA 0.768 5.234 4.470 -0.008 0.000 0.303 52 S C 0.260 174.854 174.600 -0.009 0.000 1.132 52 S CA 0.496 58.745 58.200 0.081 0.000 1.046 52 S CB 0.697 63.976 63.200 0.131 0.000 1.004 52 S HN 1.796 nan 8.310 nan 0.000 0.483 53 A N 3.340 126.180 122.820 0.033 0.000 2.252 53 A HA 1.008 5.323 4.320 -0.008 0.000 0.305 53 A C 0.016 177.538 177.584 -0.103 0.000 1.097 53 A CA -0.208 51.875 52.037 0.077 0.000 0.849 53 A CB 0.881 19.993 19.000 0.186 0.000 1.142 53 A HN 1.798 nan 8.150 nan 0.000 0.499 54 A N -0.374 122.441 122.820 -0.008 0.000 2.562 54 A HA 0.500 4.815 4.320 -0.008 0.000 0.305 54 A C -0.646 176.959 177.584 0.035 0.000 1.059 54 A CA -0.517 51.413 52.037 -0.178 0.000 0.835 54 A CB -0.118 18.561 19.000 -0.534 0.000 1.299 54 A HN 1.739 nan 8.150 nan 0.000 0.392 55 V N 1.630 121.456 119.914 -0.146 0.000 2.717 55 V HA 0.201 4.317 4.120 -0.008 0.000 0.302 55 V C 1.280 177.355 176.094 -0.031 0.000 1.097 55 V CA 1.464 63.700 62.300 -0.107 0.000 1.262 55 V CB -0.574 31.038 31.823 -0.352 0.000 0.846 55 V HN 1.579 nan 8.190 nan 0.000 0.485 56 A N 4.766 127.584 122.820 -0.004 0.000 3.110 56 A HA 0.354 4.670 4.320 -0.008 0.000 0.206 56 A C 0.968 178.500 177.584 -0.087 0.000 2.150 56 A CA 0.225 52.242 52.037 -0.033 0.000 1.708 56 A CB -0.393 18.564 19.000 -0.073 0.000 1.207 56 A HN 0.849 nan 8.150 nan 0.000 0.367 57 Q N 0.007 119.729 119.800 -0.130 0.000 3.460 57 Q HA -0.107 4.228 4.340 -0.008 0.000 0.197 57 Q C -0.297 175.610 176.000 -0.156 0.000 1.206 57 Q CA 1.031 56.731 55.803 -0.172 0.000 1.278 57 Q CB -0.049 28.526 28.738 -0.272 0.000 1.435 57 Q HN 0.583 nan 8.270 nan 0.000 0.711 58 D N -0.152 120.134 120.400 -0.189 0.000 2.269 58 D HA -0.060 4.575 4.640 -0.008 0.000 0.220 58 D C 1.338 177.615 176.300 -0.038 0.000 0.962 58 D CA 1.320 55.269 54.000 -0.085 0.000 0.884 58 D CB -0.337 40.444 40.800 -0.032 0.000 1.023 58 D HN 0.726 nan 8.370 nan 0.000 0.484 59 H N 0.179 119.253 119.070 0.008 0.000 3.068 59 H HA 0.288 4.839 4.556 -0.008 0.000 0.297 59 H C -0.236 175.051 175.328 -0.068 0.000 1.135 59 H CA -0.137 55.911 56.048 0.000 0.000 1.207 59 H CB -0.561 29.191 29.762 -0.018 0.000 1.307 59 H HN -0.048 nan 8.280 nan 0.000 0.624 60 D N -0.148 120.280 120.400 0.047 0.000 2.636 60 D HA 0.495 5.130 4.640 -0.008 0.000 0.275 60 D C -0.894 175.520 176.300 0.191 0.000 1.130 60 D CA -0.298 53.713 54.000 0.019 0.000 1.031 60 D CB 2.424 43.200 40.800 -0.041 0.000 1.451 60 D HN 0.418 nan 8.370 nan 0.000 0.505 61 S N -0.712 115.156 115.700 0.281 0.000 2.595 61 S HA 0.249 4.714 4.470 -0.008 0.000 0.270 61 S C 0.464 175.272 174.600 0.346 0.000 1.145 61 S CA -0.609 57.805 58.200 0.357 0.000 0.825 61 S CB 0.239 63.720 63.200 0.468 0.000 1.107 61 S HN 0.255 nan 8.310 nan 0.000 0.461 62 F N 1.159 121.189 119.950 0.134 0.000 2.115 62 F HA -0.021 4.501 4.527 -0.008 0.000 0.300 62 F C 2.627 178.523 175.800 0.161 0.000 1.092 62 F CA 2.071 60.100 58.000 0.049 0.000 1.245 62 F CB -0.828 38.170 39.000 -0.003 0.000 0.995 62 F HN 0.778 nan 8.300 nan 0.000 0.481 63 E N -0.652 119.809 120.200 0.436 0.000 2.008 63 E HA -0.178 4.167 4.350 -0.008 0.000 0.191 63 E C 2.161 179.008 176.600 0.411 0.000 0.986 63 E CA 1.112 57.745 56.400 0.389 0.000 0.807 63 E CB -0.931 28.924 29.700 0.259 0.000 0.766 63 E HN 0.314 nan 8.360 nan 0.000 0.450 64 Y N 0.957 121.409 120.300 0.254 0.000 2.172 64 Y HA -0.332 4.214 4.550 -0.008 0.000 0.280 64 Y C 2.605 178.616 175.900 0.185 0.000 1.209 64 Y CA 2.247 60.447 58.100 0.167 0.000 1.171 64 Y CB -0.632 37.907 38.460 0.131 0.000 0.965 64 Y HN 0.406 nan 8.280 nan 0.000 0.520 65 H N -1.242 118.024 119.070 0.326 0.000 2.268 65 H HA -0.189 4.362 4.556 -0.008 0.000 0.304 65 H C 2.270 177.773 175.328 0.291 0.000 1.064 65 H CA 1.794 57.984 56.048 0.237 0.000 1.316 65 H CB -0.974 28.878 29.762 0.150 0.000 1.386 65 H HN 0.326 nan 8.280 nan 0.000 0.496 66 F N 2.397 122.598 119.950 0.418 0.000 2.115 66 F HA -0.279 4.243 4.527 -0.008 0.000 0.300 66 F C 2.869 178.788 175.800 0.198 0.000 1.092 66 F CA 2.156 60.336 58.000 0.300 0.000 1.245 66 F CB -0.992 38.138 39.000 0.217 0.000 0.995 66 F HN 0.347 nan 8.300 nan 0.000 0.481 67 H N 0.799 119.890 119.070 0.035 0.000 2.280 67 H HA -0.174 4.377 4.556 -0.008 0.000 0.294 67 H C 1.530 176.771 175.328 -0.145 0.000 1.064 67 H CA 2.253 58.235 56.048 -0.109 0.000 1.208 67 H CB -0.992 28.792 29.762 0.035 0.000 1.365 67 H HN 0.158 nan 8.280 nan 0.000 0.511 68 D N -0.197 120.399 120.400 0.327 0.000 2.417 68 D HA -0.089 4.546 4.640 -0.008 0.000 0.225 68 D C 1.540 177.807 176.300 -0.054 0.000 0.983 68 D CA 0.928 55.003 54.000 0.126 0.000 0.949 68 D CB -0.217 40.585 40.800 0.003 0.000 0.879 68 D HN 0.438 nan 8.370 nan 0.000 0.520 69 T N -0.997 113.498 114.554 -0.097 0.000 2.967 69 T HA 0.034 4.379 4.350 -0.008 0.000 0.238 69 T C 1.997 176.557 174.700 -0.233 0.000 1.024 69 T CA 0.228 62.259 62.100 -0.115 0.000 1.234 69 T CB -0.010 68.917 68.868 0.099 0.000 0.931 69 T HN -0.074 nan 8.240 nan 0.000 0.417 70 V N 1.759 121.411 119.914 -0.437 0.000 3.235 70 V HA 0.211 4.326 4.120 -0.008 0.000 0.259 70 V C 2.644 178.166 176.094 -0.954 0.000 1.133 70 V CA 0.795 62.732 62.300 -0.604 0.000 1.128 70 V CB -0.853 30.588 31.823 -0.637 0.000 0.757 70 V HN 0.499 nan 8.190 nan 0.000 0.469 71 A N 0.957 123.300 122.820 -0.796 0.000 2.024 71 A HA -0.091 4.224 4.320 -0.008 0.000 0.220 71 A C 2.180 179.400 177.584 -0.606 0.000 1.164 71 A CA 1.969 53.519 52.037 -0.811 0.000 0.643 71 A CB -0.589 18.172 19.000 -0.398 0.000 0.806 71 A HN 0.561 nan 8.150 nan 0.000 0.451 72 G N -1.797 106.777 108.800 -0.377 0.000 3.159 72 G HA2 0.331 4.286 3.960 -0.008 0.000 0.232 72 G HA3 0.331 4.286 3.960 -0.008 0.000 0.232 72 G C 1.033 175.809 174.900 -0.206 0.000 1.116 72 G CA 0.783 45.769 45.100 -0.189 0.000 0.767 72 G HN 0.658 nan 8.290 nan 0.000 0.547 73 G N 0.153 108.737 108.800 -0.360 0.000 3.181 73 G HA2 0.215 4.170 3.960 -0.008 0.000 0.219 73 G HA3 0.215 4.170 3.960 -0.008 0.000 0.219 73 G C 0.411 175.164 174.900 -0.246 0.000 1.182 73 G CA 0.234 45.182 45.100 -0.254 0.000 0.791 73 G HN 0.152 nan 8.290 nan 0.000 0.537 74 D N 0.015 120.228 120.400 -0.312 0.000 2.739 74 D HA -0.159 4.476 4.640 -0.008 0.000 0.230 74 D C 0.143 176.664 176.300 0.368 0.000 1.167 74 D CA 0.812 54.868 54.000 0.094 0.000 0.640 74 D CB -1.136 39.814 40.800 0.251 0.000 1.045 74 D HN 0.537 nan 8.370 nan 0.000 0.421 75 W N -1.188 120.110 121.300 -0.004 0.000 3.094 75 W HA -0.231 4.424 4.660 -0.008 0.000 0.445 75 W C 0.733 177.251 176.519 -0.000 0.000 1.849 75 W CA -0.188 57.152 57.345 -0.008 0.000 0.462 75 W CB -1.154 28.299 29.460 -0.012 0.000 2.859 75 W HN 0.266 nan 8.180 nan 0.000 0.423 76 L N 3.235 124.508 121.223 0.083 0.000 3.149 76 L HA 0.124 4.459 4.340 -0.008 0.000 0.369 76 L C -0.432 176.480 176.870 0.070 0.000 1.225 76 L CA 0.178 55.017 54.840 -0.001 0.000 0.991 76 L CB -0.701 41.370 42.059 0.020 0.000 1.171 76 L HN 0.446 nan 8.230 nan 0.000 0.539 77 C N -1.476 117.905 119.300 0.136 0.000 2.811 77 C HA 0.429 4.885 4.460 -0.008 0.000 0.352 77 C C 0.443 175.581 174.990 0.246 0.000 1.098 77 C CA -1.182 57.996 59.018 0.267 0.000 1.295 77 C CB 1.789 29.571 27.740 0.071 0.000 1.758 77 C HN 0.375 nan 8.230 nan 0.000 0.488 78 E N 1.812 122.182 120.200 0.283 0.000 2.877 78 E HA -0.112 4.233 4.350 -0.008 0.000 0.230 78 E C 0.908 177.625 176.600 0.196 0.000 1.126 78 E CA 0.697 57.225 56.400 0.213 0.000 0.946 78 E CB 0.369 30.141 29.700 0.120 0.000 0.965 78 E HN 0.737 nan 8.360 nan 0.000 0.529 79 Q N 1.356 121.298 119.800 0.236 0.000 2.364 79 Q HA -0.163 4.172 4.340 -0.008 0.000 0.207 79 Q C 1.661 177.805 176.000 0.240 0.000 0.970 79 Q CA 1.229 57.239 55.803 0.345 0.000 0.888 79 Q CB 0.184 29.177 28.738 0.425 0.000 0.951 79 Q HN 0.550 nan 8.270 nan 0.000 0.469 80 D N -0.401 120.097 120.400 0.164 0.000 2.162 80 D HA -0.112 4.524 4.640 -0.008 0.000 0.203 80 D C 1.796 178.169 176.300 0.121 0.000 0.967 80 D CA 0.764 54.829 54.000 0.108 0.000 0.840 80 D CB -0.259 40.600 40.800 0.098 0.000 0.972 80 D HN 0.097 nan 8.370 nan 0.000 0.482 81 V N 1.428 121.429 119.914 0.144 0.000 2.255 81 V HA -0.216 3.899 4.120 -0.008 0.000 0.247 81 V C 2.572 178.832 176.094 0.275 0.000 1.051 81 V CA 1.513 63.920 62.300 0.179 0.000 1.018 81 V CB -0.438 31.466 31.823 0.135 0.000 0.641 81 V HN 0.129 nan 8.190 nan 0.000 0.445 82 V N 0.659 120.711 119.914 0.230 0.000 3.535 82 V HA -0.126 3.989 4.120 -0.008 0.000 0.276 82 V C 1.501 177.678 176.094 0.138 0.000 1.227 82 V CA 1.860 64.325 62.300 0.274 0.000 1.209 82 V CB -1.052 31.014 31.823 0.405 0.000 0.969 82 V HN 0.643 nan 8.190 nan 0.000 0.469 83 D N -1.308 119.147 120.400 0.091 0.000 2.626 83 D HA -0.042 4.594 4.640 -0.008 0.000 0.274 83 D C 1.771 178.235 176.300 0.273 0.000 1.045 83 D CA -0.018 53.953 54.000 -0.049 0.000 0.925 83 D CB -0.003 40.724 40.800 -0.122 0.000 1.260 83 D HN 0.368 nan 8.370 nan 0.000 0.490 84 Y N 0.031 120.460 120.300 0.216 0.000 2.151 84 Y HA -0.270 4.275 4.550 -0.008 0.000 0.284 84 Y C 1.739 177.846 175.900 0.345 0.000 1.166 84 Y CA 1.601 59.848 58.100 0.245 0.000 1.163 84 Y CB -0.188 38.270 38.460 -0.003 0.000 0.974 84 Y HN 0.040 nan 8.280 nan 0.000 0.511 85 F N 0.268 120.577 119.950 0.599 0.000 2.014 85 F HA -0.362 4.160 4.527 -0.008 0.000 0.299 85 F C 2.584 178.517 175.800 0.221 0.000 1.224 85 F CA 2.110 60.434 58.000 0.540 0.000 1.200 85 F CB -1.453 37.757 39.000 0.351 0.000 0.948 85 F HN -0.035 nan 8.300 nan 0.000 0.520 86 V N 1.008 120.856 119.914 -0.111 0.000 2.409 86 V HA -0.415 3.700 4.120 -0.008 0.000 0.261 86 V C 2.453 178.294 176.094 -0.422 0.000 1.099 86 V CA 2.738 64.783 62.300 -0.425 0.000 1.100 86 V CB -0.826 30.863 31.823 -0.224 0.000 0.677 86 V HN 0.613 nan 8.190 nan 0.000 0.460 87 H N -0.163 118.890 119.070 -0.028 0.000 2.276 87 H HA 0.021 4.573 4.556 -0.008 0.000 0.307 87 H C 1.799 177.065 175.328 -0.104 0.000 1.061 87 H CA 1.950 58.012 56.048 0.022 0.000 1.336 87 H CB -0.735 29.035 29.762 0.013 0.000 1.396 87 H HN 0.655 nan 8.280 nan 0.000 0.503 88 H N -0.449 118.624 119.070 0.006 0.000 2.832 88 H HA 0.024 4.575 4.556 -0.008 0.000 0.297 88 H C 1.393 176.634 175.328 -0.144 0.000 1.103 88 H CA -0.139 55.887 56.048 -0.036 0.000 1.201 88 H CB -0.268 29.545 29.762 0.085 0.000 1.291 88 H HN 0.195 nan 8.280 nan 0.000 0.614 89 C N 0.550 119.721 119.300 -0.216 0.000 2.664 89 C HA 0.068 4.523 4.460 -0.008 0.000 0.285 89 C C -0.492 174.266 174.990 -0.387 0.000 1.386 89 C CA 0.119 58.887 59.018 -0.417 0.000 1.753 89 C CB -0.345 26.972 27.740 -0.706 0.000 2.115 89 C HN 0.448 nan 8.230 nan 0.000 0.577 90 P HA 0.023 nan 4.420 nan 0.000 0.274 90 P C 0.386 177.626 177.300 -0.101 0.000 1.370 90 P CA 1.475 64.459 63.100 -0.193 0.000 0.760 90 P CB -0.096 31.482 31.700 -0.203 0.000 1.308 91 T N -1.224 113.239 114.554 -0.151 0.000 3.358 91 T HA 0.039 4.384 4.350 -0.008 0.000 0.263 91 T C 1.314 175.932 174.700 -0.137 0.000 0.998 91 T CA 0.077 62.129 62.100 -0.080 0.000 1.130 91 T CB -0.157 68.683 68.868 -0.046 0.000 1.165 91 T HN -0.041 nan 8.240 nan 0.000 0.426 92 E N 1.071 121.175 120.200 -0.160 0.000 2.501 92 E HA 0.027 4.372 4.350 -0.008 0.000 0.203 92 E C 1.420 177.830 176.600 -0.316 0.000 1.072 92 E CA 0.638 56.926 56.400 -0.187 0.000 0.885 92 E CB -0.052 29.589 29.700 -0.098 0.000 0.813 92 E HN 0.336 nan 8.360 nan 0.000 0.556 93 M N -1.469 117.831 119.600 -0.500 0.000 2.718 93 M HA 0.035 4.510 4.480 -0.008 0.000 0.259 93 M C 1.778 177.834 176.300 -0.406 0.000 1.240 93 M CA 0.995 55.810 55.300 -0.809 0.000 1.210 93 M CB 0.047 31.399 32.600 -2.080 0.000 1.281 93 M HN -0.201 nan 8.290 nan 0.000 0.515 94 T N 0.318 114.767 114.554 -0.175 0.000 3.077 94 T HA -0.137 4.209 4.350 -0.008 0.000 0.269 94 T C 1.447 176.209 174.700 0.103 0.000 1.146 94 T CA 1.053 63.318 62.100 0.274 0.000 1.091 94 T CB -0.155 68.873 68.868 0.267 0.000 0.892 94 T HN 0.298 nan 8.240 nan 0.000 0.533 95 Q N 1.622 121.373 119.800 -0.081 0.000 2.036 95 Q HA 0.037 4.372 4.340 -0.008 0.000 0.195 95 Q C 1.538 177.311 176.000 -0.379 0.000 0.971 95 Q CA 0.963 56.636 55.803 -0.218 0.000 0.826 95 Q CB -0.418 28.091 28.738 -0.382 0.000 0.896 95 Q HN 0.537 nan 8.270 nan 0.000 0.449 96 L N 0.239 121.205 121.223 -0.430 0.000 2.747 96 L HA 0.278 4.613 4.340 -0.008 0.000 0.248 96 L C 1.132 178.074 176.870 0.120 0.000 1.191 96 L CA 0.935 55.613 54.840 -0.269 0.000 1.003 96 L CB -0.683 41.242 42.059 -0.223 0.000 1.235 96 L HN 0.152 nan 8.230 nan 0.000 0.426 97 E N 0.173 120.509 120.200 0.227 0.000 2.460 97 E HA 0.096 4.441 4.350 -0.008 0.000 0.200 97 E C 1.412 178.141 176.600 0.214 0.000 1.011 97 E CA 0.510 57.131 56.400 0.368 0.000 0.912 97 E CB 0.315 30.311 29.700 0.493 0.000 0.953 97 E HN 0.710 nan 8.360 nan 0.000 0.494 98 L N -1.222 120.122 121.223 0.202 0.000 2.717 98 L HA 0.157 4.493 4.340 -0.008 0.000 0.239 98 L C 1.208 178.297 176.870 0.365 0.000 1.086 98 L CA -0.200 54.786 54.840 0.244 0.000 0.897 98 L CB 0.054 42.264 42.059 0.252 0.000 1.214 98 L HN 0.053 nan 8.230 nan 0.000 0.508 99 W N 1.092 122.448 121.300 0.095 0.000 3.204 99 W HA 0.334 4.989 4.660 -0.008 0.000 0.249 99 W C 1.457 178.005 176.519 0.048 0.000 1.322 99 W CA 0.564 57.958 57.345 0.083 0.000 1.593 99 W CB -0.464 29.054 29.460 0.097 0.000 1.122 99 W HN 0.270 nan 8.180 nan 0.000 0.710 100 G N -0.924 108.011 108.800 0.224 0.000 3.826 100 G HA2 -0.240 3.715 3.960 -0.008 0.000 0.194 100 G HA3 -0.240 3.715 3.960 -0.008 0.000 0.194 100 G C 0.211 175.111 174.900 -0.000 0.000 2.087 100 G CA -0.432 44.730 45.100 0.103 0.000 1.230 100 G HN 0.039 nan 8.290 nan 0.000 0.393 101 C N 4.954 124.210 119.300 -0.075 0.000 1.703 101 C HA 0.259 4.714 4.460 -0.008 0.000 0.427 101 C C -0.184 174.590 174.990 -0.359 0.000 1.521 101 C CA 0.789 59.617 59.018 -0.318 0.000 1.551 101 C CB 0.268 27.662 27.740 -0.578 0.000 2.825 101 C HN 0.463 nan 8.230 nan 0.000 0.568 102 P HA 0.065 nan 4.420 nan 0.000 0.249 102 P C -0.176 176.948 177.300 -0.294 0.000 1.544 102 P CA -0.213 62.672 63.100 -0.358 0.000 0.932 102 P CB -0.427 30.996 31.700 -0.461 0.000 1.524 103 W N 1.497 122.726 121.300 -0.118 0.000 2.604 103 W HA -0.133 4.522 4.660 -0.008 0.000 0.331 103 W C 0.897 177.237 176.519 -0.298 0.000 0.933 103 W CA -0.028 57.220 57.345 -0.161 0.000 1.045 103 W CB -0.734 28.671 29.460 -0.092 0.000 1.062 103 W HN 0.059 nan 8.180 nan 0.000 0.551 104 S N 3.823 119.399 115.700 -0.206 0.000 2.549 104 S HA 0.124 4.589 4.470 -0.008 0.000 0.278 104 S C 0.558 174.973 174.600 -0.309 0.000 1.344 104 S CA -0.355 57.602 58.200 -0.405 0.000 1.025 104 S CB 0.425 63.070 63.200 -0.925 0.000 0.851 104 S HN 0.329 nan 8.310 nan 0.000 0.530 105 R N 0.696 121.069 120.500 -0.211 0.000 2.922 105 R HA 0.526 4.862 4.340 -0.008 0.000 0.256 105 R C -0.585 175.664 176.300 -0.084 0.000 1.138 105 R CA -0.945 55.072 56.100 -0.138 0.000 0.995 105 R CB 0.892 31.137 30.300 -0.092 0.000 1.226 105 R HN 0.556 nan 8.270 nan 0.000 0.481 106 R N 0.485 120.947 120.500 -0.063 0.000 2.536 106 R HA 0.289 4.625 4.340 -0.008 0.000 0.279 106 R C -1.683 174.603 176.300 -0.024 0.000 1.001 106 R CA -1.753 54.329 56.100 -0.029 0.000 1.027 106 R CB 0.467 30.747 30.300 -0.034 0.000 1.096 106 R HN 0.248 nan 8.270 nan 0.000 0.502 107 P HA -0.301 nan 4.420 nan 0.000 0.209 107 P C 0.844 178.136 177.300 -0.013 0.000 1.167 107 P CA 1.663 64.758 63.100 -0.008 0.000 0.941 107 P CB -0.041 31.659 31.700 -0.001 0.000 0.787 108 D N -1.204 119.188 120.400 -0.013 0.000 2.276 108 D HA -0.204 4.432 4.640 -0.008 0.000 0.200 108 D C 1.484 177.773 176.300 -0.018 0.000 1.004 108 D CA 2.376 56.368 54.000 -0.014 0.000 0.898 108 D CB -0.903 39.889 40.800 -0.014 0.000 0.906 108 D HN 0.444 nan 8.370 nan 0.000 0.457 109 G N -0.771 108.013 108.800 -0.026 0.000 3.006 109 G HA2 -0.160 3.795 3.960 -0.008 0.000 0.195 109 G HA3 -0.160 3.795 3.960 -0.008 0.000 0.195 109 G C 0.265 175.140 174.900 -0.041 0.000 1.034 109 G CA 0.368 45.451 45.100 -0.028 0.000 0.807 109 G HN 0.752 nan 8.290 nan 0.000 0.469 110 S N 0.949 116.618 115.700 -0.051 0.000 2.585 110 S HA 0.625 5.090 4.470 -0.008 0.000 0.273 110 S C 0.627 175.160 174.600 -0.112 0.000 1.339 110 S CA -0.210 57.944 58.200 -0.077 0.000 1.028 110 S CB 2.140 65.296 63.200 -0.074 0.000 0.906 110 S HN 1.020 nan 8.310 nan 0.000 0.528 111 V N 2.590 122.400 119.914 -0.173 0.000 2.763 111 V HA 0.119 4.234 4.120 -0.008 0.000 0.306 111 V C 0.741 176.698 176.094 -0.229 0.000 1.059 111 V CA -0.249 61.901 62.300 -0.249 0.000 1.138 111 V CB -0.116 31.430 31.823 -0.462 0.000 0.940 111 V HN 0.922 nan 8.190 nan 0.000 0.489 112 N N 2.072 120.670 118.700 -0.169 0.000 2.477 112 N HA 0.757 5.492 4.740 -0.008 0.000 0.284 112 N C -0.989 174.605 175.510 0.140 0.000 1.182 112 N CA -0.416 52.624 53.050 -0.017 0.000 0.949 112 N CB 1.869 40.404 38.487 0.080 0.000 1.204 112 N HN 0.574 nan 8.380 nan 0.000 0.526 113 V N -1.144 118.897 119.914 0.212 0.000 3.087 113 V HA 0.731 4.846 4.120 -0.008 0.000 0.306 113 V C -0.818 175.253 176.094 -0.039 0.000 1.187 113 V CA -1.155 61.252 62.300 0.178 0.000 0.999 113 V CB 1.730 33.532 31.823 -0.036 0.000 1.049 113 V HN 0.868 nan 8.190 nan 0.000 0.431 114 R N 1.135 121.457 120.500 -0.295 0.000 2.837 114 R HA 0.708 5.044 4.340 -0.008 0.000 0.271 114 R C -0.639 175.623 176.300 -0.063 0.000 0.993 114 R CA -0.979 54.965 56.100 -0.259 0.000 0.931 114 R CB 2.403 32.397 30.300 -0.510 0.000 1.206 114 R HN 0.818 nan 8.270 nan 0.000 0.474 115 R N 1.536 122.054 120.500 0.031 0.000 2.442 115 R HA 0.235 4.570 4.340 -0.008 0.000 0.291 115 R C -1.425 175.041 176.300 0.276 0.000 1.069 115 R CA 0.252 56.412 56.100 0.101 0.000 1.022 115 R CB 0.396 30.713 30.300 0.028 0.000 0.976 115 R HN 0.557 nan 8.270 nan 0.000 0.443 116 F N 1.738 121.665 119.950 -0.039 0.000 2.605 116 F HA 0.341 4.863 4.527 -0.008 0.000 0.320 116 F C 0.462 176.257 175.800 -0.008 0.000 1.159 116 F CA 0.141 58.131 58.000 -0.017 0.000 0.999 116 F CB 2.527 41.526 39.000 -0.002 0.000 1.258 116 F HN 0.735 nan 8.300 nan 0.000 0.464 117 G N 1.811 110.628 108.800 0.029 0.000 2.142 117 G HA2 0.170 4.125 3.960 -0.008 0.000 0.225 117 G HA3 0.170 4.125 3.960 -0.008 0.000 0.225 117 G C 1.040 175.935 174.900 -0.008 0.000 1.015 117 G CA 0.536 45.648 45.100 0.019 0.000 0.716 117 G HN 2.080 nan 8.290 nan 0.000 0.508 118 G N -0.891 107.891 108.800 -0.029 0.000 2.196 118 G HA2 -0.330 3.626 3.960 -0.008 0.000 0.268 118 G HA3 -0.330 3.626 3.960 -0.008 0.000 0.268 118 G C 0.694 175.591 174.900 -0.005 0.000 0.975 118 G CA 1.144 46.234 45.100 -0.017 0.000 0.648 118 G HN 1.286 nan 8.290 nan 0.000 0.538 119 M N 0.269 119.867 119.600 -0.004 0.000 2.327 119 M HA 0.117 4.592 4.480 -0.008 0.000 0.353 119 M C 1.727 178.018 176.300 -0.016 0.000 1.539 119 M CA 0.861 56.151 55.300 -0.016 0.000 1.039 119 M CB 0.719 33.307 32.600 -0.019 0.000 1.967 119 M HN 0.313 nan 8.290 nan 0.000 0.459 120 K N 4.229 124.613 120.400 -0.026 0.000 2.044 120 K HA -0.087 4.229 4.320 -0.008 0.000 0.210 120 K C 0.094 176.666 176.600 -0.047 0.000 1.049 120 K CA 1.217 57.481 56.287 -0.037 0.000 0.927 120 K CB 0.143 32.614 32.500 -0.049 0.000 0.713 120 K HN 0.628 nan 8.250 nan 0.000 0.443 121 I N 3.205 123.736 120.570 -0.064 0.000 2.312 121 I HA 0.056 4.221 4.170 -0.008 0.000 0.290 121 I C -0.254 175.857 176.117 -0.009 0.000 1.008 121 I CA -0.973 60.304 61.300 -0.038 0.000 1.226 121 I CB 1.343 39.294 38.000 -0.081 0.000 1.371 121 I HN 0.234 nan 8.210 nan 0.000 0.468 122 E N 8.667 128.870 120.200 0.005 0.000 2.465 122 E HA -0.039 4.306 4.350 -0.008 0.000 0.260 122 E C -0.147 176.463 176.600 0.017 0.000 0.980 122 E CA -0.175 56.233 56.400 0.014 0.000 0.927 122 E CB 0.550 30.252 29.700 0.003 0.000 0.934 122 E HN 0.847 nan 8.360 nan 0.000 0.459 123 R N 1.016 121.549 120.500 0.054 0.000 2.499 123 R HA 0.249 4.584 4.340 -0.008 0.000 0.252 123 R C -1.149 175.249 176.300 0.163 0.000 1.309 123 R CA -0.556 55.597 56.100 0.089 0.000 1.425 123 R CB -0.206 30.163 30.300 0.115 0.000 1.392 123 R HN 0.296 nan 8.270 nan 0.000 0.766 124 T N 1.017 115.640 114.554 0.116 0.000 2.797 124 T HA 0.373 4.718 4.350 -0.008 0.000 0.279 124 T C -0.938 173.879 174.700 0.195 0.000 0.991 124 T CA -0.275 61.908 62.100 0.139 0.000 0.979 124 T CB 0.796 69.660 68.868 -0.005 0.000 0.943 124 T HN 0.201 nan 8.240 nan 0.000 0.444 125 W N 4.370 125.570 121.300 -0.167 0.000 2.261 125 W HA 0.605 5.261 4.660 -0.008 0.000 0.323 125 W C -0.176 176.412 176.519 0.116 0.000 1.243 125 W CA -1.179 55.973 57.345 -0.322 0.000 1.210 125 W CB -0.004 28.737 29.460 -1.198 0.000 1.149 125 W HN 0.615 nan 8.180 nan 0.000 0.562 126 F N -0.074 120.034 119.950 0.263 0.000 2.641 126 F HA 0.745 5.267 4.527 -0.008 0.000 0.308 126 F C -0.531 175.618 175.800 0.582 0.000 1.105 126 F CA -1.802 56.481 58.000 0.472 0.000 0.964 126 F CB 1.268 40.355 39.000 0.145 0.000 1.294 126 F HN 0.341 nan 8.300 nan 0.000 0.442 127 A N 3.295 126.358 122.820 0.406 0.000 3.150 127 A HA 0.789 5.104 4.320 -0.008 0.000 0.328 127 A C 0.572 178.278 177.584 0.204 0.000 1.104 127 A CA -0.153 51.945 52.037 0.102 0.000 0.937 127 A CB -0.785 18.201 19.000 -0.022 0.000 1.073 127 A HN 2.461 nan 8.150 nan 0.000 0.497 128 A N 1.301 124.216 122.820 0.159 0.000 6.604 128 A HA -0.087 4.228 4.320 -0.008 0.000 0.340 128 A C 0.336 178.105 177.584 0.308 0.000 1.906 128 A CA 0.545 52.733 52.037 0.252 0.000 0.916 128 A CB -0.851 18.250 19.000 0.168 0.000 1.625 128 A HN 1.686 nan 8.150 nan 0.000 0.443 129 D N 0.250 120.816 120.400 0.277 0.000 2.685 129 D HA 0.237 4.873 4.640 -0.008 0.000 0.230 129 D C 0.445 176.912 176.300 0.278 0.000 1.098 129 D CA 1.034 55.192 54.000 0.263 0.000 1.246 129 D CB -0.150 40.796 40.800 0.244 0.000 1.136 129 D HN 0.662 nan 8.370 nan 0.000 0.472 130 K N -0.733 119.832 120.400 0.274 0.000 2.548 130 K HA 0.004 4.320 4.320 -0.008 0.000 0.193 130 K C 1.313 178.087 176.600 0.290 0.000 1.714 130 K CA -0.025 56.408 56.287 0.244 0.000 1.024 130 K CB 0.269 32.872 32.500 0.171 0.000 1.484 130 K HN 0.006 nan 8.250 nan 0.000 0.602 131 T N 0.807 115.548 114.554 0.311 0.000 2.718 131 T HA -0.262 4.083 4.350 -0.008 0.000 0.266 131 T C 1.658 176.500 174.700 0.237 0.000 1.033 131 T CA 2.048 64.332 62.100 0.305 0.000 1.151 131 T CB -0.462 68.654 68.868 0.413 0.000 0.853 131 T HN 0.528 nan 8.240 nan 0.000 0.466 132 G N 1.098 110.027 108.800 0.214 0.000 2.701 132 G HA2 -0.233 3.723 3.960 -0.008 0.000 0.215 132 G HA3 -0.233 3.723 3.960 -0.008 0.000 0.215 132 G C 1.218 176.211 174.900 0.156 0.000 1.297 132 G CA 0.944 46.151 45.100 0.179 0.000 0.807 132 G HN 0.523 nan 8.290 nan 0.000 0.608 133 F N 1.064 120.987 119.950 -0.044 0.000 2.111 133 F HA -0.256 4.267 4.527 -0.008 0.000 0.300 133 F C 2.301 177.998 175.800 -0.172 0.000 1.088 133 F CA 2.269 60.165 58.000 -0.173 0.000 1.243 133 F CB -0.310 38.496 39.000 -0.323 0.000 0.996 133 F HN 0.234 nan 8.300 nan 0.000 0.483 134 H N -0.168 118.790 119.070 -0.186 0.000 2.562 134 H HA 0.067 4.618 4.556 -0.008 0.000 0.274 134 H C 1.527 176.640 175.328 -0.358 0.000 1.038 134 H CA 1.083 56.895 56.048 -0.393 0.000 1.161 134 H CB -0.080 29.552 29.762 -0.217 0.000 1.318 134 H HN 0.489 nan 8.280 nan 0.000 0.617 135 M N -1.393 118.139 119.600 -0.113 0.000 2.902 135 M HA -0.026 4.449 4.480 -0.008 0.000 0.225 135 M C 1.772 178.094 176.300 0.037 0.000 1.711 135 M CA 0.108 55.387 55.300 -0.034 0.000 1.213 135 M CB 0.200 32.843 32.600 0.071 0.000 1.265 135 M HN 0.120 nan 8.290 nan 0.000 0.577 136 L N 0.478 121.739 121.223 0.063 0.000 2.450 136 L HA -0.185 4.150 4.340 -0.008 0.000 0.225 136 L C 1.668 178.633 176.870 0.157 0.000 1.145 136 L CA 2.069 56.983 54.840 0.123 0.000 0.801 136 L CB -0.683 41.462 42.059 0.144 0.000 0.924 136 L HN 0.282 nan 8.230 nan 0.000 0.447 137 H N -1.550 117.422 119.070 -0.162 0.000 2.334 137 H HA 0.110 4.662 4.556 -0.008 0.000 0.315 137 H C 2.078 177.403 175.328 -0.004 0.000 1.056 137 H CA 1.534 57.484 56.048 -0.163 0.000 1.418 137 H CB -0.558 28.881 29.762 -0.538 0.000 1.464 137 H HN 0.165 nan 8.280 nan 0.000 0.587 138 T N 2.103 116.696 114.554 0.064 0.000 2.668 138 T HA -0.244 4.102 4.350 -0.008 0.000 0.265 138 T C 2.093 176.906 174.700 0.189 0.000 1.041 138 T CA 1.906 64.066 62.100 0.099 0.000 1.160 138 T CB -0.593 68.313 68.868 0.062 0.000 0.857 138 T HN 0.110 nan 8.240 nan 0.000 0.455 139 L N -0.416 120.940 121.223 0.222 0.000 1.921 139 L HA -0.081 4.254 4.340 -0.008 0.000 0.219 139 L C 2.178 179.184 176.870 0.227 0.000 1.081 139 L CA 1.947 56.963 54.840 0.294 0.000 0.771 139 L CB -0.974 41.249 42.059 0.274 0.000 0.888 139 L HN 0.178 nan 8.230 nan 0.000 0.433 140 F N 0.797 120.775 119.950 0.047 0.000 2.064 140 F HA -0.430 4.092 4.527 -0.008 0.000 0.293 140 F C 2.689 178.481 175.800 -0.013 0.000 1.086 140 F CA 2.459 60.456 58.000 -0.004 0.000 1.242 140 F CB -0.431 38.511 39.000 -0.096 0.000 0.970 140 F HN 0.127 nan 8.300 nan 0.000 0.494 141 Q N -0.933 118.902 119.800 0.059 0.000 2.084 141 Q HA -0.160 4.175 4.340 -0.008 0.000 0.202 141 Q C 2.109 178.055 176.000 -0.090 0.000 0.978 141 Q CA 2.457 58.221 55.803 -0.065 0.000 0.844 141 Q CB -0.417 28.344 28.738 0.038 0.000 0.898 141 Q HN 0.442 nan 8.270 nan 0.000 0.426 142 T N -0.686 113.872 114.554 0.007 0.000 3.035 142 T HA -0.088 4.257 4.350 -0.008 0.000 0.268 142 T C 1.593 176.297 174.700 0.008 0.000 1.109 142 T CA 1.026 63.130 62.100 0.005 0.000 1.119 142 T CB -0.168 68.747 68.868 0.078 0.000 0.900 142 T HN 0.260 nan 8.240 nan 0.000 0.503 143 S N 0.250 115.925 115.700 -0.041 0.000 2.603 143 S HA 0.154 4.619 4.470 -0.008 0.000 0.229 143 S C 1.465 176.001 174.600 -0.107 0.000 0.972 143 S CA 0.283 58.448 58.200 -0.058 0.000 0.935 143 S CB -0.385 62.771 63.200 -0.074 0.000 0.769 143 S HN 0.486 nan 8.310 nan 0.000 0.536 144 L N -0.004 121.133 121.223 -0.143 0.000 2.717 144 L HA 0.289 4.624 4.340 -0.008 0.000 0.239 144 L C 2.411 179.216 176.870 -0.107 0.000 1.086 144 L CA 0.261 55.014 54.840 -0.145 0.000 0.897 144 L CB -0.293 41.627 42.059 -0.231 0.000 1.214 144 L HN 0.308 nan 8.230 nan 0.000 0.508 145 Q N 0.989 120.711 119.800 -0.131 0.000 2.217 145 Q HA -0.177 4.158 4.340 -0.008 0.000 0.209 145 Q C -0.254 175.462 176.000 -0.473 0.000 0.988 145 Q CA 1.521 57.130 55.803 -0.323 0.000 0.878 145 Q CB 0.067 28.535 28.738 -0.450 0.000 0.909 145 Q HN 0.300 nan 8.270 nan 0.000 0.424 146 F N 1.030 120.888 119.950 -0.154 0.000 2.334 146 F HA 0.281 4.803 4.527 -0.009 0.000 0.367 146 F C -1.479 174.268 175.800 -0.088 0.000 1.115 146 F CA -2.582 55.345 58.000 -0.122 0.000 1.116 146 F CB 1.339 40.258 39.000 -0.135 0.000 1.230 146 F HN 0.029 nan 8.300 nan 0.000 0.484 147 P HA -0.230 nan 4.420 nan 0.000 0.220 147 P C 1.088 178.415 177.300 0.046 0.000 1.148 147 P CA 1.387 64.499 63.100 0.020 0.000 0.803 147 P CB 0.193 31.887 31.700 -0.010 0.000 0.782 148 Q N -0.214 119.627 119.800 0.068 0.000 2.197 148 Q HA -0.142 4.193 4.340 -0.008 0.000 0.207 148 Q C 1.067 177.095 176.000 0.046 0.000 0.984 148 Q CA 0.954 56.789 55.803 0.054 0.000 0.869 148 Q CB -1.293 27.480 28.738 0.059 0.000 0.906 148 Q HN 0.279 nan 8.270 nan 0.000 0.426 149 I N 1.190 121.791 120.570 0.051 0.000 2.945 149 I HA 0.019 4.184 4.170 -0.008 0.000 0.292 149 I C 0.278 176.430 176.117 0.059 0.000 1.093 149 I CA -0.005 61.320 61.300 0.043 0.000 1.336 149 I CB 0.459 38.480 38.000 0.035 0.000 1.435 149 I HN 0.013 nan 8.210 nan 0.000 0.593 150 Q N 3.528 123.373 119.800 0.076 0.000 3.255 150 Q HA 0.328 4.663 4.340 -0.008 0.000 0.231 150 Q C -1.180 174.909 176.000 0.149 0.000 0.935 150 Q CA -0.402 55.470 55.803 0.114 0.000 0.714 150 Q CB 0.592 29.417 28.738 0.146 0.000 1.345 150 Q HN 0.420 nan 8.270 nan 0.000 0.463 151 R N 2.334 122.911 120.500 0.129 0.000 2.507 151 R HA 0.010 4.345 4.340 -0.008 0.000 0.341 151 R C -0.317 176.096 176.300 0.190 0.000 0.960 151 R CA 0.292 56.487 56.100 0.159 0.000 1.032 151 R CB 0.055 30.448 30.300 0.154 0.000 0.933 151 R HN 0.510 nan 8.270 nan 0.000 0.418 152 F N 3.934 123.910 119.950 0.043 0.000 2.798 152 F HA 0.072 4.595 4.527 -0.007 0.000 0.291 152 F C 0.364 176.276 175.800 0.185 0.000 1.174 152 F CA -0.800 57.223 58.000 0.038 0.000 1.392 152 F CB -0.233 38.703 39.000 -0.107 0.000 0.966 152 F HN 0.501 nan 8.300 nan 0.000 0.509 153 D N 0.557 121.009 120.400 0.086 0.000 2.033 153 D HA -0.196 4.440 4.640 -0.008 0.000 0.232 153 D C 0.593 176.771 176.300 -0.204 0.000 1.350 153 D CA 0.521 54.489 54.000 -0.054 0.000 0.928 153 D CB 0.159 40.847 40.800 -0.188 0.000 1.463 153 D HN 0.115 nan 8.370 nan 0.000 0.547 154 E N -0.224 119.730 120.200 -0.411 0.000 2.170 154 E HA -0.250 4.095 4.350 -0.008 0.000 0.214 154 E C -0.184 176.159 176.600 -0.428 0.000 1.344 154 E CA 1.244 57.387 56.400 -0.429 0.000 0.714 154 E CB -1.354 28.046 29.700 -0.499 0.000 1.112 154 E HN 0.486 nan 8.360 nan 0.000 0.350 155 H N -0.936 118.066 119.070 -0.114 0.000 3.513 155 H HA 0.719 5.271 4.556 -0.007 0.000 0.278 155 H C -0.319 175.081 175.328 0.120 0.000 1.683 155 H CA -0.575 55.467 56.048 -0.009 0.000 1.552 155 H CB 1.243 31.040 29.762 0.057 0.000 1.474 155 H HN 0.152 nan 8.280 nan 0.000 0.870 156 F N 1.011 121.034 119.950 0.121 0.000 3.397 156 F HA 0.195 4.717 4.527 -0.008 0.000 0.406 156 F C -1.198 174.629 175.800 0.045 0.000 1.166 156 F CA -0.739 57.277 58.000 0.027 0.000 1.322 156 F CB 0.559 39.530 39.000 -0.048 0.000 2.322 156 F HN 0.165 nan 8.300 nan 0.000 0.709 157 V N 5.811 125.833 119.914 0.181 0.000 2.725 157 V HA -0.237 3.879 4.120 -0.008 0.000 0.283 157 V C 1.070 177.036 176.094 -0.214 0.000 0.977 157 V CA 0.876 63.175 62.300 -0.003 0.000 1.184 157 V CB 0.240 32.094 31.823 0.051 0.000 0.863 157 V HN 0.699 nan 8.190 nan 0.000 0.459 158 L N 3.403 124.486 121.223 -0.233 0.000 2.270 158 L HA 0.214 4.549 4.340 -0.008 0.000 0.210 158 L C 0.876 177.705 176.870 -0.069 0.000 1.104 158 L CA 1.644 56.325 54.840 -0.266 0.000 0.804 158 L CB -0.184 41.749 42.059 -0.210 0.000 0.937 158 L HN 0.972 nan 8.230 nan 0.000 0.450 159 D N -2.192 118.188 120.400 -0.033 0.000 4.313 159 D HA 0.248 4.883 4.640 -0.008 0.000 0.373 159 D C -1.545 174.760 176.300 0.009 0.000 1.659 159 D CA 0.161 54.168 54.000 0.011 0.000 0.961 159 D CB 0.157 40.981 40.800 0.039 0.000 1.505 159 D HN -0.108 nan 8.370 nan 0.000 0.607 160 I N -0.329 120.269 120.570 0.047 0.000 2.715 160 I HA 0.425 4.591 4.170 -0.008 0.000 0.288 160 I C -1.048 175.054 176.117 -0.025 0.000 1.371 160 I CA -1.010 60.290 61.300 0.000 0.000 1.056 160 I CB 1.589 39.571 38.000 -0.029 0.000 1.339 160 I HN 0.276 nan 8.210 nan 0.000 0.425 161 L N 5.791 126.982 121.223 -0.053 0.000 2.331 161 L HA 0.764 5.099 4.340 -0.008 0.000 0.278 161 L C -0.376 176.392 176.870 -0.171 0.000 1.106 161 L CA -0.903 53.896 54.840 -0.069 0.000 0.824 161 L CB 1.171 43.214 42.059 -0.026 0.000 1.142 161 L HN 0.438 nan 8.230 nan 0.000 0.443 162 V N 1.756 121.520 119.914 -0.251 0.000 2.888 162 V HA 0.503 4.619 4.120 -0.008 0.000 0.309 162 V C -0.969 175.066 176.094 -0.098 0.000 1.114 162 V CA -0.638 61.516 62.300 -0.243 0.000 0.940 162 V CB 2.625 34.141 31.823 -0.512 0.000 1.021 162 V HN 0.831 nan 8.190 nan 0.000 0.426 163 D N 2.599 122.982 120.400 -0.028 0.000 2.861 163 D HA 0.195 4.831 4.640 -0.008 0.000 0.216 163 D C -1.252 175.063 176.300 0.025 0.000 1.323 163 D CA -0.175 53.829 54.000 0.006 0.000 0.917 163 D CB 1.818 42.622 40.800 0.006 0.000 1.582 163 D HN 0.761 nan 8.370 nan 0.000 0.576 164 D N 2.706 123.122 120.400 0.027 0.000 3.357 164 D HA -0.140 4.495 4.640 -0.008 0.000 0.238 164 D C 0.952 177.283 176.300 0.052 0.000 1.126 164 D CA 1.540 55.560 54.000 0.032 0.000 0.984 164 D CB -0.830 39.983 40.800 0.021 0.000 0.925 164 D HN 0.958 nan 8.370 nan 0.000 0.414 165 G N 1.469 110.296 108.800 0.045 0.000 2.244 165 G HA2 -0.324 3.632 3.960 -0.008 0.000 0.274 165 G HA3 -0.324 3.632 3.960 -0.008 0.000 0.274 165 G C 0.148 175.098 174.900 0.084 0.000 1.002 165 G CA 1.245 46.374 45.100 0.049 0.000 0.740 165 G HN 0.908 nan 8.290 nan 0.000 0.516 166 H N -1.684 117.366 119.070 -0.033 0.000 3.038 166 H HA 0.468 5.020 4.556 -0.006 0.000 0.362 166 H C -1.102 174.184 175.328 -0.070 0.000 1.167 166 H CA -0.049 55.975 56.048 -0.038 0.000 1.197 166 H CB 1.931 31.679 29.762 -0.024 0.000 1.840 166 H HN 0.393 nan 8.280 nan 0.000 0.540 167 V N 7.080 126.855 119.914 -0.232 0.000 2.333 167 V HA 0.321 4.437 4.120 -0.008 0.000 0.274 167 V C 0.491 176.648 176.094 0.105 0.000 1.028 167 V CA -0.212 62.028 62.300 -0.101 0.000 0.851 167 V CB 0.617 32.317 31.823 -0.205 0.000 1.000 167 V HN 0.707 nan 8.190 nan 0.000 0.456 168 R N 4.561 125.144 120.500 0.139 0.000 2.023 168 R HA 0.341 4.676 4.340 -0.008 0.000 0.217 168 R C 0.977 177.294 176.300 0.028 0.000 1.255 168 R CA 1.051 57.217 56.100 0.110 0.000 0.981 168 R CB -0.527 29.797 30.300 0.041 0.000 0.853 168 R HN 0.717 nan 8.270 nan 0.000 0.463 169 G N 0.757 109.553 108.800 -0.007 0.000 2.537 169 G HA2 0.558 4.513 3.960 -0.008 0.000 0.323 169 G HA3 0.558 4.513 3.960 -0.008 0.000 0.323 169 G C -0.750 174.127 174.900 -0.039 0.000 1.207 169 G CA -0.502 44.583 45.100 -0.026 0.000 0.976 169 G HN 0.181 nan 8.290 nan 0.000 0.487 170 L N -1.830 119.363 121.223 -0.051 0.000 2.230 170 L HA 0.950 5.286 4.340 -0.008 0.000 0.255 170 L C -0.751 176.091 176.870 -0.048 0.000 1.039 170 L CA -1.189 53.622 54.840 -0.049 0.000 0.846 170 L CB 1.584 43.606 42.059 -0.060 0.000 1.419 170 L HN 0.386 nan 8.230 nan 0.000 0.435 171 V N -0.197 119.693 119.914 -0.039 0.000 2.864 171 V HA 1.003 5.118 4.120 -0.008 0.000 0.314 171 V C 0.232 176.302 176.094 -0.040 0.000 1.073 171 V CA 0.360 62.640 62.300 -0.034 0.000 0.956 171 V CB 1.168 32.976 31.823 -0.025 0.000 1.023 171 V HN 1.303 nan 8.190 nan 0.000 0.435 172 A N 3.172 125.983 122.820 -0.015 0.000 4.367 172 A HA 1.006 5.321 4.320 -0.008 0.000 0.174 172 A C -0.843 176.779 177.584 0.064 0.000 0.690 172 A CA -0.312 51.740 52.037 0.026 0.000 0.856 172 A CB 1.504 20.562 19.000 0.096 0.000 1.848 172 A HN 1.003 nan 8.150 nan 0.000 0.887 173 M N 0.994 120.709 119.600 0.193 0.000 2.431 173 M HA 0.209 4.684 4.480 -0.008 0.000 0.213 173 M C -1.875 174.578 176.300 0.256 0.000 0.955 173 M CA 0.034 55.446 55.300 0.186 0.000 0.844 173 M CB 0.942 33.610 32.600 0.112 0.000 2.440 173 M HN 0.779 nan 8.290 nan 0.000 0.434 174 N N 5.379 124.226 118.700 0.245 0.000 2.400 174 N HA 0.131 4.866 4.740 -0.008 0.000 0.278 174 N C 1.076 176.538 175.510 -0.080 0.000 1.247 174 N CA -0.121 52.907 53.050 -0.037 0.000 0.970 174 N CB 0.605 39.095 38.487 0.006 0.000 1.312 174 N HN 0.742 nan 8.380 nan 0.000 0.488 175 M N 2.549 122.055 119.600 -0.158 0.000 2.103 175 M HA -0.312 4.163 4.480 -0.008 0.000 0.255 175 M C 1.891 178.170 176.300 -0.035 0.000 1.074 175 M CA 2.025 57.240 55.300 -0.142 0.000 1.090 175 M CB -0.244 32.200 32.600 -0.260 0.000 1.325 175 M HN 0.685 nan 8.290 nan 0.000 0.403 176 M N -0.924 118.706 119.600 0.051 0.000 2.394 176 M HA -0.105 4.370 4.480 -0.008 0.000 0.264 176 M C 1.537 177.873 176.300 0.059 0.000 1.073 176 M CA 0.994 56.373 55.300 0.131 0.000 1.111 176 M CB -0.065 32.592 32.600 0.095 0.000 1.401 176 M HN 0.180 nan 8.290 nan 0.000 0.448 177 E N -0.676 119.534 120.200 0.017 0.000 2.340 177 E HA 0.128 4.473 4.350 -0.008 0.000 0.198 177 E C 1.236 177.849 176.600 0.022 0.000 0.961 177 E CA 0.732 57.144 56.400 0.019 0.000 0.905 177 E CB 0.517 30.225 29.700 0.013 0.000 0.884 177 E HN 0.513 nan 8.360 nan 0.000 0.491 178 G N 2.790 111.601 108.800 0.018 0.000 2.176 178 G HA2 -0.270 3.686 3.960 -0.008 0.000 0.252 178 G HA3 -0.270 3.686 3.960 -0.008 0.000 0.252 178 G C 0.404 175.322 174.900 0.030 0.000 1.024 178 G CA 0.862 45.974 45.100 0.020 0.000 0.755 178 G HN 0.281 nan 8.290 nan 0.000 0.507 179 T N -0.860 113.722 114.554 0.046 0.000 2.762 179 T HA 0.586 4.931 4.350 -0.008 0.000 0.303 179 T C 0.933 175.677 174.700 0.074 0.000 0.977 179 T CA -0.820 61.314 62.100 0.057 0.000 0.961 179 T CB 0.999 69.906 68.868 0.066 0.000 0.944 179 T HN 0.601 nan 8.240 nan 0.000 0.481 180 L N 3.914 125.168 121.223 0.052 0.000 3.515 180 L HA 0.098 4.433 4.340 -0.008 0.000 0.248 180 L C 0.770 177.672 176.870 0.053 0.000 1.499 180 L CA -0.615 54.251 54.840 0.044 0.000 1.101 180 L CB -1.546 40.525 42.059 0.020 0.000 1.434 180 L HN 0.497 nan 8.230 nan 0.000 0.451 181 V N 1.240 121.204 119.914 0.083 0.000 3.549 181 V HA -0.147 3.969 4.120 -0.008 0.000 0.300 181 V C 0.555 176.666 176.094 0.028 0.000 1.154 181 V CA 0.307 62.653 62.300 0.077 0.000 1.268 181 V CB 0.134 32.023 31.823 0.110 0.000 1.054 181 V HN 0.689 nan 8.190 nan 0.000 0.501 182 Q N 0.943 120.751 119.800 0.012 0.000 2.334 182 Q HA 0.508 4.843 4.340 -0.008 0.000 0.249 182 Q C -1.658 174.325 176.000 -0.029 0.000 0.909 182 Q CA -0.579 55.216 55.803 -0.014 0.000 0.823 182 Q CB 1.828 30.576 28.738 0.016 0.000 1.353 182 Q HN 0.520 nan 8.270 nan 0.000 0.433 183 I N 1.475 121.979 120.570 -0.111 0.000 2.793 183 I HA 0.531 4.697 4.170 -0.008 0.000 0.313 183 I C -0.107 175.974 176.117 -0.061 0.000 0.998 183 I CA -0.654 60.575 61.300 -0.118 0.000 1.140 183 I CB 0.839 38.654 38.000 -0.309 0.000 1.327 183 I HN 0.360 nan 8.210 nan 0.000 0.491 184 R N 2.591 123.068 120.500 -0.038 0.000 2.604 184 R HA 0.936 5.271 4.340 -0.008 0.000 0.281 184 R C -1.446 174.834 176.300 -0.033 0.000 1.020 184 R CA -1.100 54.981 56.100 -0.031 0.000 0.899 184 R CB 1.835 32.123 30.300 -0.021 0.000 1.205 184 R HN 0.832 nan 8.270 nan 0.000 0.450 185 A N 1.774 124.578 122.820 -0.026 0.000 2.489 185 A HA 0.423 4.739 4.320 -0.008 0.000 0.293 185 A C -1.625 175.968 177.584 0.014 0.000 1.004 185 A CA -0.871 51.153 52.037 -0.022 0.000 0.626 185 A CB 1.209 20.184 19.000 -0.042 0.000 1.345 185 A HN 0.631 nan 8.150 nan 0.000 0.447 186 N N 0.441 119.154 118.700 0.022 0.000 2.757 186 N HA 0.529 5.265 4.740 -0.008 0.000 0.296 186 N C -0.144 175.407 175.510 0.068 0.000 1.874 186 N CA 0.616 53.732 53.050 0.110 0.000 0.885 186 N CB 1.322 39.848 38.487 0.065 0.000 1.242 186 N HN 1.451 nan 8.380 nan 0.000 0.488 187 A N -0.603 122.208 122.820 -0.016 0.000 2.441 187 A HA 0.066 4.381 4.320 -0.008 0.000 0.209 187 A C 0.049 177.503 177.584 -0.216 0.000 1.645 187 A CA -0.269 51.677 52.037 -0.152 0.000 1.362 187 A CB -0.263 18.610 19.000 -0.211 0.000 1.035 187 A HN 0.042 nan 8.150 nan 0.000 0.487 188 V N 1.481 121.335 119.914 -0.100 0.000 2.703 188 V HA 0.013 4.128 4.120 -0.008 0.000 0.300 188 V C 0.667 176.722 176.094 -0.066 0.000 1.063 188 V CA 1.010 63.262 62.300 -0.080 0.000 1.240 188 V CB 0.047 31.840 31.823 -0.050 0.000 0.845 188 V HN 0.308 nan 8.190 nan 0.000 0.476 189 V N 6.860 126.726 119.914 -0.080 0.000 2.834 189 V HA 0.577 4.692 4.120 -0.008 0.000 0.313 189 V C 0.184 176.286 176.094 0.014 0.000 1.060 189 V CA -0.893 61.394 62.300 -0.022 0.000 0.989 189 V CB 1.978 33.758 31.823 -0.071 0.000 1.041 189 V HN 0.723 nan 8.190 nan 0.000 0.459 190 M N 2.886 122.514 119.600 0.047 0.000 2.326 190 M HA 0.697 5.173 4.480 -0.008 0.000 0.306 190 M C -0.363 175.959 176.300 0.037 0.000 1.054 190 M CA -0.436 54.882 55.300 0.030 0.000 0.922 190 M CB 1.447 34.056 32.600 0.016 0.000 1.632 190 M HN 0.814 nan 8.290 nan 0.000 0.436 191 A N 1.924 124.764 122.820 0.033 0.000 3.426 191 A HA 0.391 4.707 4.320 -0.008 0.000 0.222 191 A C 0.139 177.744 177.584 0.034 0.000 1.090 191 A CA -0.459 51.602 52.037 0.041 0.000 1.026 191 A CB -0.377 18.658 19.000 0.058 0.000 1.342 191 A HN 0.739 nan 8.150 nan 0.000 0.695 192 T N -1.290 113.274 114.554 0.017 0.000 3.255 192 T HA 0.533 4.878 4.350 -0.008 0.000 0.243 192 T C 0.982 175.671 174.700 -0.018 0.000 1.057 192 T CA 0.537 62.644 62.100 0.013 0.000 1.121 192 T CB -0.272 68.609 68.868 0.023 0.000 1.104 192 T HN 2.143 nan 8.240 nan 0.000 0.571 193 G N 0.740 109.522 108.800 -0.030 0.000 2.774 193 G HA2 0.106 4.061 3.960 -0.008 0.000 0.279 193 G HA3 0.106 4.061 3.960 -0.008 0.000 0.279 193 G C 0.421 175.230 174.900 -0.151 0.000 1.372 193 G CA -0.473 44.572 45.100 -0.093 0.000 0.913 193 G HN 1.012 nan 8.290 nan 0.000 0.562 194 G N -2.024 106.621 108.800 -0.257 0.000 2.582 194 G HA2 0.676 4.631 3.960 -0.008 0.000 0.232 194 G HA3 0.676 4.631 3.960 -0.008 0.000 0.232 194 G C 0.931 175.723 174.900 -0.181 0.000 1.458 194 G CA 0.915 45.846 45.100 -0.282 0.000 1.062 194 G HN 2.004 nan 8.290 nan 0.000 0.566 195 A N -1.310 121.414 122.820 -0.159 0.000 2.603 195 A HA 0.522 4.837 4.320 -0.008 0.000 0.277 195 A C 2.022 179.570 177.584 -0.061 0.000 1.158 195 A CA 1.067 53.048 52.037 -0.093 0.000 0.962 195 A CB -0.111 18.842 19.000 -0.079 0.000 1.189 195 A HN 1.139 nan 8.150 nan 0.000 0.552 196 G N 1.036 109.791 108.800 -0.074 0.000 2.679 196 G HA2 -0.360 3.595 3.960 -0.008 0.000 0.222 196 G HA3 -0.360 3.595 3.960 -0.008 0.000 0.222 196 G C 1.584 176.511 174.900 0.045 0.000 1.164 196 G CA 1.163 46.266 45.100 0.005 0.000 0.769 196 G HN 0.435 nan 8.290 nan 0.000 0.610 197 R N 0.454 120.954 120.500 -0.000 0.000 2.294 197 R HA -0.148 4.187 4.340 -0.008 0.000 0.250 197 R C 2.820 179.111 176.300 -0.014 0.000 1.181 197 R CA 1.482 57.590 56.100 0.014 0.000 1.016 197 R CB -0.865 29.459 30.300 0.040 0.000 0.869 197 R HN 0.575 nan 8.270 nan 0.000 0.476 198 V N -2.053 117.829 119.914 -0.053 0.000 2.324 198 V HA -0.210 3.906 4.120 -0.008 0.000 0.250 198 V C 1.089 177.059 176.094 -0.208 0.000 1.060 198 V CA 1.170 63.370 62.300 -0.166 0.000 1.042 198 V CB -0.983 30.675 31.823 -0.275 0.000 0.650 198 V HN 0.018 nan 8.190 nan 0.000 0.450 199 Y N 0.357 120.620 120.300 -0.063 0.000 2.336 199 Y HA 0.379 4.924 4.550 -0.008 0.000 0.331 199 Y C 1.887 177.716 175.900 -0.119 0.000 1.211 199 Y CA 0.116 58.171 58.100 -0.075 0.000 1.346 199 Y CB 0.588 39.013 38.460 -0.059 0.000 1.271 199 Y HN -0.036 nan 8.280 nan 0.000 0.538 200 R N 1.706 122.187 120.500 -0.031 0.000 2.237 200 R HA -0.066 4.269 4.340 -0.008 0.000 0.219 200 R C -0.849 175.282 176.300 -0.282 0.000 1.080 200 R CA 1.117 57.062 56.100 -0.259 0.000 0.995 200 R CB 0.029 30.027 30.300 -0.504 0.000 0.875 200 R HN 0.737 nan 8.270 nan 0.000 0.462 201 Y N 0.819 121.128 120.300 0.014 0.000 2.363 201 Y HA 0.222 4.768 4.550 -0.008 0.000 0.325 201 Y C -0.818 175.010 175.900 -0.120 0.000 0.984 201 Y CA -1.359 56.705 58.100 -0.061 0.000 1.248 201 Y CB 1.236 39.650 38.460 -0.077 0.000 1.116 201 Y HN 0.177 nan 8.280 nan 0.000 0.470 202 N N -1.451 117.295 118.700 0.078 0.000 2.396 202 N HA 0.193 4.928 4.740 -0.008 0.000 0.275 202 N C 0.323 175.828 175.510 -0.009 0.000 1.218 202 N CA -0.571 52.468 53.050 -0.018 0.000 0.812 202 N CB 1.399 39.889 38.487 0.005 0.000 1.592 202 N HN 0.295 nan 8.380 nan 0.000 0.480 203 T N -1.097 113.457 114.554 0.001 0.000 2.821 203 T HA -0.042 4.303 4.350 -0.008 0.000 0.267 203 T C 0.394 175.174 174.700 0.132 0.000 1.046 203 T CA 0.719 62.843 62.100 0.039 0.000 1.139 203 T CB -0.953 67.996 68.868 0.134 0.000 0.871 203 T HN 0.584 nan 8.240 nan 0.000 0.454 204 N N 0.974 119.763 118.700 0.148 0.000 2.237 204 N HA 0.300 5.035 4.740 -0.008 0.000 0.222 204 N C 0.943 176.599 175.510 0.245 0.000 1.311 204 N CA 0.034 53.200 53.050 0.192 0.000 0.880 204 N CB 0.163 38.598 38.487 -0.086 0.000 1.106 204 N HN 0.519 nan 8.380 nan 0.000 0.435 205 G N -0.657 108.354 108.800 0.353 0.000 2.873 205 G HA2 0.322 4.278 3.960 -0.008 0.000 0.170 205 G HA3 0.322 4.278 3.960 -0.008 0.000 0.170 205 G C 0.402 175.383 174.900 0.135 0.000 1.608 205 G CA 0.072 45.303 45.100 0.219 0.000 1.084 205 G HN 0.588 nan 8.290 nan 0.000 0.563 206 G N -0.630 108.254 108.800 0.141 0.000 4.432 206 G HA2 0.423 4.378 3.960 -0.008 0.000 0.294 206 G HA3 0.423 4.378 3.960 -0.008 0.000 0.294 206 G C 0.509 175.522 174.900 0.188 0.000 1.141 206 G CA 0.442 45.650 45.100 0.180 0.000 0.895 206 G HN 0.858 nan 8.290 nan 0.000 0.548 207 I N -4.389 116.232 120.570 0.086 0.000 4.765 207 I HA 0.274 4.440 4.170 -0.008 0.000 0.349 207 I C 0.223 176.327 176.117 -0.022 0.000 1.278 207 I CA -0.047 61.234 61.300 -0.032 0.000 1.331 207 I CB 0.901 38.866 38.000 -0.059 0.000 1.570 207 I HN -0.202 nan 8.210 nan 0.000 0.538 208 V N 2.488 122.396 119.914 -0.010 0.000 3.273 208 V HA 0.068 4.183 4.120 -0.008 0.000 0.379 208 V C 1.368 177.438 176.094 -0.040 0.000 1.256 208 V CA 1.156 63.414 62.300 -0.070 0.000 1.455 208 V CB -1.232 30.479 31.823 -0.187 0.000 1.247 208 V HN 0.440 nan 8.190 nan 0.000 0.469 209 T N 0.652 115.215 114.554 0.014 0.000 3.148 209 T HA 0.110 4.455 4.350 -0.008 0.000 0.253 209 T C 1.644 176.357 174.700 0.021 0.000 1.134 209 T CA 0.574 62.699 62.100 0.042 0.000 1.051 209 T CB -0.089 68.859 68.868 0.134 0.000 0.959 209 T HN 0.747 nan 8.240 nan 0.000 0.525 210 G N 3.117 111.912 108.800 -0.008 0.000 2.385 210 G HA2 -0.265 3.690 3.960 -0.008 0.000 0.284 210 G HA3 -0.265 3.690 3.960 -0.008 0.000 0.284 210 G C 0.547 175.453 174.900 0.010 0.000 0.899 210 G CA 0.334 45.423 45.100 -0.018 0.000 1.204 210 G HN 0.450 nan 8.290 nan 0.000 0.486 211 D N 0.147 120.598 120.400 0.086 0.000 2.309 211 D HA -0.099 4.537 4.640 -0.008 0.000 0.212 211 D C 2.336 178.612 176.300 -0.040 0.000 0.968 211 D CA 1.205 55.290 54.000 0.143 0.000 0.882 211 D CB -0.301 40.777 40.800 0.463 0.000 0.918 211 D HN 0.566 nan 8.370 nan 0.000 0.503 212 G N 1.370 110.159 108.800 -0.018 0.000 2.446 212 G HA2 -0.273 3.682 3.960 -0.008 0.000 0.217 212 G HA3 -0.273 3.682 3.960 -0.008 0.000 0.217 212 G C 1.683 176.518 174.900 -0.107 0.000 1.168 212 G CA 0.781 45.847 45.100 -0.057 0.000 0.771 212 G HN 0.232 nan 8.290 nan 0.000 0.551 213 M N 0.634 120.175 119.600 -0.099 0.000 2.059 213 M HA 0.072 4.547 4.480 -0.008 0.000 0.259 213 M C 2.876 179.083 176.300 -0.156 0.000 1.072 213 M CA 1.572 56.803 55.300 -0.115 0.000 1.117 213 M CB -0.955 31.585 32.600 -0.099 0.000 1.320 213 M HN 0.179 nan 8.290 nan 0.000 0.408 214 G N 1.467 110.169 108.800 -0.163 0.000 2.499 214 G HA2 -0.199 3.756 3.960 -0.008 0.000 0.221 214 G HA3 -0.199 3.756 3.960 -0.008 0.000 0.221 214 G C 1.584 176.205 174.900 -0.465 0.000 1.109 214 G CA 1.255 46.223 45.100 -0.220 0.000 0.749 214 G HN 0.654 nan 8.290 nan 0.000 0.568 215 M N -0.821 118.443 119.600 -0.561 0.000 2.357 215 M HA 0.474 4.949 4.480 -0.008 0.000 0.266 215 M C 2.443 178.596 176.300 -0.245 0.000 1.095 215 M CA 1.218 56.173 55.300 -0.574 0.000 1.156 215 M CB 0.079 32.423 32.600 -0.426 0.000 1.365 215 M HN 0.038 nan 8.290 nan 0.000 0.447 216 A N 0.729 123.443 122.820 -0.178 0.000 2.209 216 A HA 0.155 4.470 4.320 -0.008 0.000 0.212 216 A C 1.734 179.252 177.584 -0.110 0.000 1.158 216 A CA 0.548 52.524 52.037 -0.102 0.000 0.742 216 A CB -0.598 18.342 19.000 -0.100 0.000 0.790 216 A HN 0.470 nan 8.150 nan 0.000 0.472 217 L N -0.460 120.677 121.223 -0.143 0.000 2.660 217 L HA 0.170 4.505 4.340 -0.008 0.000 0.238 217 L C 1.625 178.429 176.870 -0.109 0.000 1.161 217 L CA 0.886 55.655 54.840 -0.119 0.000 0.937 217 L CB -0.185 41.802 42.059 -0.119 0.000 1.122 217 L HN 0.267 nan 8.230 nan 0.000 0.435 218 S N -2.341 113.277 115.700 -0.137 0.000 2.599 218 S HA 0.224 4.690 4.470 -0.008 0.000 0.236 218 S C 0.664 175.090 174.600 -0.290 0.000 1.077 218 S CA -0.051 58.021 58.200 -0.213 0.000 0.906 218 S CB 0.181 63.220 63.200 -0.268 0.000 0.804 218 S HN 0.324 nan 8.310 nan 0.000 0.497 219 H N 1.920 120.962 119.070 -0.047 0.000 2.423 219 H HA 0.464 5.016 4.556 -0.007 0.000 0.227 219 H C 1.155 176.461 175.328 -0.037 0.000 1.596 219 H CA 0.437 56.464 56.048 -0.035 0.000 1.207 219 H CB -0.213 29.524 29.762 -0.042 0.000 1.595 219 H HN 0.496 nan 8.280 nan 0.000 0.534 220 G N 0.350 109.186 108.800 0.060 0.000 2.552 220 G HA2 -0.295 3.661 3.960 -0.008 0.000 0.265 220 G HA3 -0.295 3.661 3.960 -0.008 0.000 0.265 220 G C -0.297 174.571 174.900 -0.053 0.000 1.234 220 G CA -0.325 44.803 45.100 0.046 0.000 0.944 220 G HN 0.623 nan 8.290 nan 0.000 0.568 221 V N 0.221 120.070 119.914 -0.108 0.000 3.636 221 V HA -0.080 4.035 4.120 -0.008 0.000 0.518 221 V C -1.254 174.568 176.094 -0.454 0.000 0.682 221 V CA 1.393 63.554 62.300 -0.230 0.000 2.073 221 V CB -0.524 31.207 31.823 -0.153 0.000 2.488 221 V HN 1.279 nan 8.190 nan 0.000 0.513 222 P HA 0.616 nan 4.420 nan 0.000 0.285 222 P C -0.863 176.191 177.300 -0.409 0.000 1.285 222 P CA -0.790 61.805 63.100 -0.841 0.000 0.854 222 P CB 1.349 32.339 31.700 -1.185 0.000 1.180 223 L N 0.791 121.826 121.223 -0.314 0.000 2.494 223 L HA 0.407 4.742 4.340 -0.008 0.000 0.251 223 L C 1.107 177.905 176.870 -0.120 0.000 1.119 223 L CA -0.576 54.160 54.840 -0.174 0.000 1.026 223 L CB -0.012 41.971 42.059 -0.126 0.000 1.370 223 L HN 0.319 nan 8.230 nan 0.000 0.426 224 R N 2.136 122.557 120.500 -0.131 0.000 2.483 224 R HA -0.040 4.295 4.340 -0.008 0.000 0.329 224 R C -0.262 176.006 176.300 -0.053 0.000 0.961 224 R CA 0.510 56.555 56.100 -0.092 0.000 1.041 224 R CB -0.084 30.121 30.300 -0.158 0.000 0.930 224 R HN 0.541 nan 8.270 nan 0.000 0.413 225 D N 2.779 123.189 120.400 0.017 0.000 3.068 225 D HA -0.173 4.463 4.640 -0.008 0.000 0.218 225 D C -0.497 175.855 176.300 0.086 0.000 1.145 225 D CA 0.889 54.907 54.000 0.029 0.000 0.896 225 D CB -0.569 40.170 40.800 -0.101 0.000 1.105 225 D HN 0.531 nan 8.370 nan 0.000 0.423 226 M N 0.935 120.586 119.600 0.085 0.000 3.593 226 M HA 0.051 4.527 4.480 -0.008 0.000 0.204 226 M C 0.649 177.047 176.300 0.163 0.000 1.569 226 M CA 1.077 56.440 55.300 0.104 0.000 1.694 226 M CB -1.100 31.517 32.600 0.028 0.000 1.149 226 M HN 0.277 nan 8.290 nan 0.000 0.552 227 E N -0.573 119.826 120.200 0.332 0.000 3.640 227 E HA 0.132 4.477 4.350 -0.008 0.000 0.157 227 E C -0.933 175.799 176.600 0.219 0.000 0.974 227 E CA -0.176 56.342 56.400 0.197 0.000 1.465 227 E CB -0.135 29.564 29.700 -0.002 0.000 1.098 227 E HN 0.221 nan 8.360 nan 0.000 0.414 228 F N 0.967 120.962 119.950 0.074 0.000 2.577 228 F HA 0.238 4.760 4.527 -0.008 0.000 0.342 228 F C 0.064 175.944 175.800 0.133 0.000 1.479 228 F CA -0.954 57.112 58.000 0.111 0.000 1.110 228 F CB 1.447 40.516 39.000 0.115 0.000 1.306 228 F HN -0.085 nan 8.300 nan 0.000 0.554 229 V N 1.445 121.519 119.914 0.267 0.000 2.304 229 V HA -0.068 4.047 4.120 -0.008 0.000 0.239 229 V C 0.810 177.049 176.094 0.241 0.000 1.201 229 V CA 0.016 62.468 62.300 0.254 0.000 1.254 229 V CB -0.606 31.418 31.823 0.334 0.000 1.335 229 V HN 0.521 nan 8.190 nan 0.000 0.491 230 Q N 2.769 122.711 119.800 0.237 0.000 2.304 230 Q HA -0.015 4.321 4.340 -0.008 0.000 0.315 230 Q C -0.970 175.171 176.000 0.235 0.000 1.075 230 Q CA 0.655 56.596 55.803 0.230 0.000 0.988 230 Q CB 0.267 29.135 28.738 0.216 0.000 1.146 230 Q HN 0.648 nan 8.270 nan 0.000 0.383 231 Y N 2.384 122.685 120.300 0.000 0.000 2.420 231 Y HA 0.278 4.823 4.550 -0.008 0.000 0.334 231 Y C -0.047 175.828 175.900 -0.043 0.000 1.094 231 Y CA -0.668 57.403 58.100 -0.049 0.000 1.126 231 Y CB 1.408 39.777 38.460 -0.151 0.000 1.217 231 Y HN 0.606 nan 8.280 nan 0.000 0.462 232 H N 5.509 124.528 119.070 -0.084 0.000 2.458 232 H HA 0.219 4.770 4.556 -0.008 0.000 0.330 232 H C -1.879 173.365 175.328 -0.141 0.000 1.111 232 H CA -2.328 53.608 56.048 -0.187 0.000 1.245 232 H CB 2.382 31.846 29.762 -0.496 0.000 1.456 232 H HN 0.401 nan 8.280 nan 0.000 0.488 233 P HA -0.151 nan 4.420 nan 0.000 0.208 233 P C 0.356 177.612 177.300 -0.073 0.000 1.180 233 P CA 1.482 64.483 63.100 -0.165 0.000 0.935 233 P CB -0.214 31.365 31.700 -0.202 0.000 0.785 234 T N -2.414 112.159 114.554 0.031 0.000 2.806 234 T HA 0.665 5.011 4.350 -0.008 0.000 0.290 234 T C 0.230 174.935 174.700 0.009 0.000 0.966 234 T CA -0.458 61.657 62.100 0.025 0.000 1.060 234 T CB 1.258 70.152 68.868 0.043 0.000 0.927 234 T HN 0.357 nan 8.240 nan 0.000 0.485 235 G N 2.928 111.681 108.800 -0.078 0.000 2.717 235 G HA2 0.464 4.419 3.960 -0.008 0.000 0.300 235 G HA3 0.464 4.419 3.960 -0.008 0.000 0.300 235 G C -0.710 174.111 174.900 -0.133 0.000 1.424 235 G CA -1.171 43.854 45.100 -0.125 0.000 1.033 235 G HN 0.934 nan 8.290 nan 0.000 0.577 236 L N 2.548 123.704 121.223 -0.112 0.000 2.581 236 L HA 0.129 4.464 4.340 -0.008 0.000 0.299 236 L C -1.447 175.329 176.870 -0.158 0.000 1.261 236 L CA -0.758 54.025 54.840 -0.096 0.000 0.866 236 L CB 0.226 42.250 42.059 -0.059 0.000 1.113 236 L HN 0.317 nan 8.230 nan 0.000 0.514 237 P HA 0.147 nan 4.420 nan 0.000 0.281 237 P C 0.630 177.788 177.300 -0.236 0.000 1.249 237 P CA 0.396 63.354 63.100 -0.236 0.000 0.810 237 P CB 1.624 33.223 31.700 -0.168 0.000 1.008 238 G N 1.623 110.191 108.800 -0.386 0.000 3.163 238 G HA2 -0.349 3.607 3.960 -0.008 0.000 0.227 238 G HA3 -0.349 3.607 3.960 -0.008 0.000 0.227 238 G C 1.241 176.050 174.900 -0.152 0.000 1.300 238 G CA 0.981 45.938 45.100 -0.239 0.000 0.867 238 G HN 0.531 nan 8.290 nan 0.000 0.533 239 S N -0.103 115.514 115.700 -0.138 0.000 2.359 239 S HA 0.416 4.881 4.470 -0.008 0.000 0.186 239 S C 1.967 176.487 174.600 -0.134 0.000 1.163 239 S CA 1.923 60.051 58.200 -0.120 0.000 1.479 239 S CB -0.387 62.720 63.200 -0.155 0.000 0.880 239 S HN 2.238 nan 8.310 nan 0.000 0.395 240 G N -0.069 108.633 108.800 -0.164 0.000 2.870 240 G HA2 -0.041 3.914 3.960 -0.008 0.000 0.216 240 G HA3 -0.041 3.914 3.960 -0.008 0.000 0.216 240 G C -0.041 174.766 174.900 -0.154 0.000 0.973 240 G CA -0.667 44.340 45.100 -0.155 0.000 0.807 240 G HN 0.382 nan 8.290 nan 0.000 0.573 241 I N 3.441 123.906 120.570 -0.175 0.000 2.742 241 I HA 0.085 4.250 4.170 -0.008 0.000 0.287 241 I C 1.205 177.208 176.117 -0.191 0.000 1.186 241 I CA -0.315 60.870 61.300 -0.192 0.000 1.417 241 I CB 0.791 38.645 38.000 -0.243 0.000 1.377 241 I HN 0.146 nan 8.210 nan 0.000 0.556 242 L N 8.271 129.358 121.223 -0.226 0.000 2.638 242 L HA 0.061 4.396 4.340 -0.008 0.000 0.273 242 L C -0.246 176.459 176.870 -0.274 0.000 1.147 242 L CA 0.352 54.992 54.840 -0.333 0.000 0.941 242 L CB 0.043 41.825 42.059 -0.461 0.000 1.251 242 L HN 0.642 nan 8.230 nan 0.000 0.479 243 M N 5.358 124.847 119.600 -0.185 0.000 2.193 243 M HA 0.111 4.586 4.480 -0.008 0.000 0.342 243 M C 0.839 177.091 176.300 -0.080 0.000 1.413 243 M CA 0.379 55.616 55.300 -0.105 0.000 1.191 243 M CB 0.433 33.011 32.600 -0.037 0.000 1.633 243 M HN 0.821 nan 8.290 nan 0.000 0.458 244 T N 1.652 116.158 114.554 -0.079 0.000 2.856 244 T HA -0.161 4.184 4.350 -0.008 0.000 0.327 244 T C 1.267 176.024 174.700 0.096 0.000 1.061 244 T CA 1.004 63.114 62.100 0.017 0.000 1.131 244 T CB 0.400 69.319 68.868 0.086 0.000 1.083 244 T HN 0.890 nan 8.240 nan 0.000 0.518 245 E N 2.387 122.676 120.200 0.148 0.000 2.085 245 E HA -0.119 4.227 4.350 -0.008 0.000 0.194 245 E C 2.237 178.792 176.600 -0.075 0.000 0.994 245 E CA 1.383 57.764 56.400 -0.030 0.000 0.801 245 E CB -0.984 28.501 29.700 -0.359 0.000 0.743 245 E HN 0.939 nan 8.360 nan 0.000 0.453 246 G N 0.971 109.810 108.800 0.066 0.000 2.505 246 G HA2 -0.379 3.576 3.960 -0.008 0.000 0.220 246 G HA3 -0.379 3.576 3.960 -0.008 0.000 0.220 246 G C 1.712 176.639 174.900 0.045 0.000 1.145 246 G CA 1.144 46.303 45.100 0.100 0.000 0.761 246 G HN 0.463 nan 8.290 nan 0.000 0.571 247 C N -0.134 119.194 119.300 0.048 0.000 2.391 247 C HA -0.165 4.291 4.460 -0.008 0.000 0.276 247 C C 2.929 177.924 174.990 0.008 0.000 1.191 247 C CA 1.382 60.416 59.018 0.027 0.000 1.808 247 C CB -0.932 26.823 27.740 0.026 0.000 2.095 247 C HN 0.526 nan 8.230 nan 0.000 0.478 248 R N -0.329 120.167 120.500 -0.007 0.000 2.146 248 R HA 0.087 4.422 4.340 -0.008 0.000 0.206 248 R C 2.549 178.835 176.300 -0.025 0.000 1.049 248 R CA 0.910 56.999 56.100 -0.017 0.000 1.029 248 R CB -0.637 29.641 30.300 -0.037 0.000 0.949 248 R HN 0.538 nan 8.270 nan 0.000 0.471 249 G N 1.412 110.186 108.800 -0.044 0.000 2.516 249 G HA2 -0.222 3.734 3.960 -0.008 0.000 0.221 249 G HA3 -0.222 3.734 3.960 -0.008 0.000 0.221 249 G C 0.999 175.895 174.900 -0.007 0.000 1.107 249 G CA 0.643 45.718 45.100 -0.042 0.000 0.747 249 G HN 0.182 nan 8.290 nan 0.000 0.567 250 E N 0.158 120.360 120.200 0.004 0.000 2.394 250 E HA 0.237 4.582 4.350 -0.008 0.000 0.191 250 E C 1.612 178.214 176.600 0.003 0.000 1.044 250 E CA 0.363 56.767 56.400 0.008 0.000 0.939 250 E CB -0.086 29.620 29.700 0.010 0.000 1.089 250 E HN 0.403 nan 8.360 nan 0.000 0.456 251 G N 0.833 109.640 108.800 0.013 0.000 2.176 251 G HA2 -0.262 3.693 3.960 -0.008 0.000 0.253 251 G HA3 -0.262 3.693 3.960 -0.008 0.000 0.253 251 G C 0.756 175.709 174.900 0.088 0.000 0.979 251 G CA -0.057 45.069 45.100 0.043 0.000 0.641 251 G HN 0.524 nan 8.290 nan 0.000 0.530 252 G N 0.041 108.868 108.800 0.044 0.000 2.647 252 G HA2 0.552 4.507 3.960 -0.008 0.000 0.234 252 G HA3 0.552 4.507 3.960 -0.008 0.000 0.234 252 G C 0.257 175.214 174.900 0.095 0.000 1.252 252 G CA 0.484 45.625 45.100 0.069 0.000 0.846 252 G HN 1.708 nan 8.290 nan 0.000 0.589 253 I N -1.896 118.744 120.570 0.117 0.000 2.722 253 I HA 0.597 4.762 4.170 -0.008 0.000 0.295 253 I C -0.863 175.240 176.117 -0.023 0.000 1.161 253 I CA -1.259 60.050 61.300 0.014 0.000 1.032 253 I CB 2.184 40.166 38.000 -0.030 0.000 1.244 253 I HN 0.269 nan 8.210 nan 0.000 0.421 254 L N 5.875 127.010 121.223 -0.147 0.000 2.307 254 L HA 0.824 5.159 4.340 -0.008 0.000 0.282 254 L C -0.200 176.467 176.870 -0.338 0.000 1.051 254 L CA -0.940 53.777 54.840 -0.205 0.000 0.804 254 L CB 1.755 43.612 42.059 -0.337 0.000 1.197 254 L HN 0.655 nan 8.230 nan 0.000 0.431 255 V N -0.108 119.767 119.914 -0.065 0.000 3.147 255 V HA 0.526 4.641 4.120 -0.008 0.000 0.306 255 V C -0.672 175.610 176.094 0.313 0.000 1.209 255 V CA -0.938 61.390 62.300 0.047 0.000 1.023 255 V CB 1.765 33.634 31.823 0.078 0.000 1.059 255 V HN 0.903 nan 8.190 nan 0.000 0.435 256 N N 1.671 120.590 118.700 0.364 0.000 2.452 256 N HA 0.320 5.055 4.740 -0.008 0.000 0.296 256 N C 0.713 176.389 175.510 0.276 0.000 1.304 256 N CA -0.362 52.885 53.050 0.328 0.000 0.956 256 N CB 0.381 39.061 38.487 0.322 0.000 1.106 256 N HN 0.890 nan 8.380 nan 0.000 0.555 257 K N -1.423 119.100 120.400 0.205 0.000 2.525 257 K HA 0.110 4.425 4.320 -0.008 0.000 0.192 257 K C -0.015 176.683 176.600 0.164 0.000 1.029 257 K CA 0.560 56.963 56.287 0.193 0.000 1.029 257 K CB -0.150 32.428 32.500 0.129 0.000 0.814 257 K HN 0.369 nan 8.250 nan 0.000 0.503 258 N N 0.610 119.416 118.700 0.176 0.000 2.177 258 N HA 0.079 4.814 4.740 -0.008 0.000 0.218 258 N C 0.291 175.898 175.510 0.162 0.000 1.182 258 N CA 0.667 53.802 53.050 0.143 0.000 0.882 258 N CB 1.375 39.935 38.487 0.123 0.000 1.052 258 N HN 0.448 nan 8.380 nan 0.000 0.519 259 G N 1.326 110.237 108.800 0.187 0.000 2.198 259 G HA2 -0.318 3.637 3.960 -0.008 0.000 0.260 259 G HA3 -0.318 3.637 3.960 -0.008 0.000 0.260 259 G C -0.447 174.556 174.900 0.172 0.000 1.025 259 G CA 0.262 45.452 45.100 0.150 0.000 0.769 259 G HN 0.456 nan 8.290 nan 0.000 0.507 260 Y N 0.700 121.050 120.300 0.082 0.000 2.330 260 Y HA 0.616 5.162 4.550 -0.008 0.000 0.336 260 Y C 0.911 176.852 175.900 0.069 0.000 1.036 260 Y CA -1.899 56.242 58.100 0.069 0.000 1.125 260 Y CB 0.808 39.320 38.460 0.086 0.000 1.194 260 Y HN 0.147 nan 8.280 nan 0.000 0.469 261 R N 6.958 127.100 120.500 -0.597 0.000 3.247 261 R HA -0.015 4.321 4.340 -0.008 0.000 0.212 261 R C 0.459 176.340 176.300 -0.699 0.000 1.604 261 R CA 0.034 55.792 56.100 -0.569 0.000 1.279 261 R CB -0.616 29.455 30.300 -0.381 0.000 1.277 261 R HN 0.868 nan 8.270 nan 0.000 0.669 262 Y N -0.262 119.811 120.300 -0.380 0.000 2.219 262 Y HA -0.320 4.225 4.550 -0.008 0.000 0.283 262 Y C 1.331 177.317 175.900 0.142 0.000 1.191 262 Y CA 1.105 59.170 58.100 -0.057 0.000 1.199 262 Y CB -0.595 37.964 38.460 0.164 0.000 0.972 262 Y HN 0.330 nan 8.280 nan 0.000 0.527 263 L N 1.001 122.298 121.223 0.122 0.000 2.129 263 L HA -0.299 4.037 4.340 -0.008 0.000 0.212 263 L C 2.909 179.928 176.870 0.248 0.000 1.087 263 L CA 2.176 57.181 54.840 0.275 0.000 0.757 263 L CB -0.787 41.276 42.059 0.007 0.000 0.896 263 L HN 0.558 nan 8.230 nan 0.000 0.434 264 Q N -0.696 119.145 119.800 0.069 0.000 2.124 264 Q HA -0.215 4.120 4.340 -0.008 0.000 0.202 264 Q C 0.726 176.743 176.000 0.029 0.000 0.977 264 Q CA 1.645 57.468 55.803 0.034 0.000 0.850 264 Q CB -0.433 28.298 28.738 -0.013 0.000 0.901 264 Q HN 0.316 nan 8.270 nan 0.000 0.429 265 D N -0.111 120.294 120.400 0.009 0.000 2.355 265 D HA -0.017 4.618 4.640 -0.008 0.000 0.253 265 D C -0.683 175.090 176.300 -0.879 0.000 1.187 265 D CA 0.515 54.331 54.000 -0.307 0.000 0.900 265 D CB -0.092 40.545 40.800 -0.270 0.000 0.915 265 D HN 0.441 nan 8.370 nan 0.000 0.516 266 Y N -1.662 118.686 120.300 0.080 0.000 2.777 266 Y HA 0.305 4.850 4.550 -0.008 0.000 0.248 266 Y C 1.434 177.349 175.900 0.026 0.000 1.127 266 Y CA -0.555 57.586 58.100 0.068 0.000 1.149 266 Y CB 0.837 39.378 38.460 0.134 0.000 1.230 266 Y HN -0.028 nan 8.280 nan 0.000 0.586 267 G N 0.976 109.795 108.800 0.032 0.000 2.176 267 G HA2 -0.272 3.684 3.960 -0.008 0.000 0.252 267 G HA3 -0.272 3.684 3.960 -0.008 0.000 0.252 267 G C 0.522 175.391 174.900 -0.051 0.000 1.024 267 G CA 0.542 45.635 45.100 -0.010 0.000 0.755 267 G HN 0.261 nan 8.290 nan 0.000 0.507 268 M N 0.785 120.365 119.600 -0.034 0.000 2.475 268 M HA 0.250 4.726 4.480 -0.008 0.000 0.261 268 M C 1.486 177.674 176.300 -0.186 0.000 1.177 268 M CA 0.266 55.498 55.300 -0.112 0.000 0.979 268 M CB 0.169 32.769 32.600 -0.000 0.000 1.482 268 M HN 0.358 nan 8.290 nan 0.000 0.484 269 G N 3.394 112.110 108.800 -0.141 0.000 2.414 269 G HA2 0.288 4.244 3.960 -0.008 0.000 0.236 269 G HA3 0.288 4.244 3.960 -0.008 0.000 0.236 269 G C -2.154 172.675 174.900 -0.118 0.000 1.293 269 G CA -0.350 44.695 45.100 -0.091 0.000 0.869 269 G HN 0.200 nan 8.290 nan 0.000 0.556 270 P HA 0.324 nan 4.420 nan 0.000 0.325 270 P C -0.721 176.633 177.300 0.090 0.000 1.298 270 P CA -0.766 62.378 63.100 0.073 0.000 0.771 270 P CB 1.345 33.097 31.700 0.086 0.000 1.389 271 E N 0.452 120.687 120.200 0.057 0.000 2.180 271 E HA 0.204 4.549 4.350 -0.008 0.000 0.283 271 E C -0.094 176.530 176.600 0.040 0.000 1.061 271 E CA -0.394 56.026 56.400 0.032 0.000 0.861 271 E CB 0.260 29.964 29.700 0.007 0.000 1.056 271 E HN 0.370 nan 8.360 nan 0.000 0.407 272 T N 2.343 116.922 114.554 0.042 0.000 2.788 272 T HA 0.312 4.657 4.350 -0.008 0.000 0.287 272 T C -1.965 172.734 174.700 -0.000 0.000 1.007 272 T CA -1.404 60.712 62.100 0.025 0.000 1.005 272 T CB 0.795 69.678 68.868 0.024 0.000 1.012 272 T HN 0.297 nan 8.240 nan 0.000 0.530 273 P HA 0.240 nan 4.420 nan 0.000 0.310 273 P C 0.700 177.988 177.300 -0.019 0.000 1.309 273 P CA -0.389 62.704 63.100 -0.011 0.000 0.753 273 P CB 0.286 31.982 31.700 -0.006 0.000 1.491 274 L N -1.885 119.330 121.223 -0.013 0.000 2.445 274 L HA 0.256 4.591 4.340 -0.008 0.000 0.207 274 L C 2.148 179.048 176.870 0.050 0.000 1.053 274 L CA 1.278 56.115 54.840 -0.006 0.000 0.841 274 L CB -0.775 41.267 42.059 -0.027 0.000 1.074 274 L HN 0.386 nan 8.230 nan 0.000 0.479 275 G N -1.038 107.784 108.800 0.037 0.000 3.042 275 G HA2 0.015 3.970 3.960 -0.008 0.000 0.212 275 G HA3 0.015 3.970 3.960 -0.008 0.000 0.212 275 G C 0.414 175.325 174.900 0.019 0.000 1.166 275 G CA -0.091 45.032 45.100 0.038 0.000 0.767 275 G HN 0.245 nan 8.290 nan 0.000 0.546 276 E N 1.134 121.339 120.200 0.009 0.000 3.312 276 E HA 0.204 4.549 4.350 -0.008 0.000 0.215 276 E C -2.550 174.043 176.600 -0.011 0.000 1.160 276 E CA -1.642 54.756 56.400 -0.004 0.000 1.267 276 E CB 1.254 30.947 29.700 -0.011 0.000 1.361 276 E HN 0.175 nan 8.360 nan 0.000 0.433 277 P HA 0.025 nan 4.420 nan 0.000 0.271 277 P C -0.459 176.826 177.300 -0.025 0.000 1.216 277 P CA -0.004 63.091 63.100 -0.009 0.000 0.771 277 P CB 0.710 32.408 31.700 -0.002 0.000 0.864 278 K N 2.583 122.966 120.400 -0.028 0.000 2.375 278 K HA 0.259 4.574 4.320 -0.008 0.000 0.249 278 K C -0.185 176.398 176.600 -0.029 0.000 0.942 278 K CA -0.790 55.460 56.287 -0.062 0.000 0.806 278 K CB 1.957 34.369 32.500 -0.146 0.000 1.227 278 K HN 0.493 nan 8.250 nan 0.000 0.430 279 N N 1.587 120.262 118.700 -0.042 0.000 2.326 279 N HA -0.067 4.668 4.740 -0.008 0.000 0.239 279 N C 0.060 175.616 175.510 0.077 0.000 1.301 279 N CA 0.295 53.343 53.050 -0.004 0.000 0.909 279 N CB 0.445 38.920 38.487 -0.019 0.000 1.156 279 N HN 0.513 nan 8.380 nan 0.000 0.462 280 K N -0.982 119.488 120.400 0.117 0.000 3.518 280 K HA -0.254 4.062 4.320 -0.008 0.000 0.287 280 K C -0.559 176.250 176.600 0.348 0.000 0.935 280 K CA 1.704 58.130 56.287 0.231 0.000 1.201 280 K CB -1.429 31.268 32.500 0.328 0.000 1.453 280 K HN 0.538 nan 8.250 nan 0.000 0.443 281 Y N -0.006 120.287 120.300 -0.013 0.000 2.545 281 Y HA 0.346 4.891 4.550 -0.008 0.000 0.324 281 Y C 2.124 178.013 175.900 -0.017 0.000 1.220 281 Y CA -1.205 56.890 58.100 -0.008 0.000 1.290 281 Y CB 0.212 38.667 38.460 -0.008 0.000 1.355 281 Y HN -0.114 nan 8.280 nan 0.000 0.516 282 M N -0.099 119.572 119.600 0.118 0.000 7.319 282 M HA -0.441 4.034 4.480 -0.008 0.000 0.337 282 M C 1.528 177.828 176.300 0.001 0.000 0.480 282 M CA 2.171 57.493 55.300 0.037 0.000 1.311 282 M CB -1.489 31.130 32.600 0.032 0.000 0.421 282 M HN 0.879 nan 8.290 nan 0.000 0.932 283 E N 0.185 120.370 120.200 -0.025 0.000 2.478 283 E HA 0.046 4.391 4.350 -0.008 0.000 0.198 283 E C 1.240 177.816 176.600 -0.040 0.000 1.046 283 E CA 0.541 56.910 56.400 -0.052 0.000 0.870 283 E CB -0.115 29.546 29.700 -0.064 0.000 0.818 283 E HN 0.460 nan 8.360 nan 0.000 0.527 284 L N -0.283 120.930 121.223 -0.017 0.000 3.017 284 L HA 0.325 4.660 4.340 -0.008 0.000 0.255 284 L C 0.986 177.849 176.870 -0.011 0.000 1.247 284 L CA -0.713 54.106 54.840 -0.034 0.000 1.038 284 L CB 0.218 42.258 42.059 -0.033 0.000 1.380 284 L HN 0.036 nan 8.230 nan 0.000 0.548 285 G N 0.949 109.748 108.800 -0.001 0.000 2.699 285 G HA2 0.185 4.140 3.960 -0.008 0.000 0.246 285 G HA3 0.185 4.140 3.960 -0.008 0.000 0.246 285 G C -2.401 172.491 174.900 -0.013 0.000 1.219 285 G CA -0.712 44.391 45.100 0.006 0.000 0.866 285 G HN 0.021 nan 8.290 nan 0.000 0.572 286 P HA -0.016 nan 4.420 nan 0.000 0.261 286 P C 1.072 178.349 177.300 -0.038 0.000 1.173 286 P CA -0.077 63.014 63.100 -0.014 0.000 0.760 286 P CB 0.614 32.317 31.700 0.005 0.000 0.783 287 R N 3.500 123.965 120.500 -0.059 0.000 2.168 287 R HA -0.322 4.013 4.340 -0.008 0.000 0.242 287 R C 1.117 177.365 176.300 -0.086 0.000 1.123 287 R CA 2.563 58.607 56.100 -0.094 0.000 0.928 287 R CB -0.752 29.496 30.300 -0.088 0.000 0.873 287 R HN 0.418 nan 8.270 nan 0.000 0.434 288 D N -0.153 120.210 120.400 -0.061 0.000 2.156 288 D HA -0.169 4.466 4.640 -0.008 0.000 0.190 288 D C 1.857 178.107 176.300 -0.082 0.000 0.998 288 D CA 1.891 55.845 54.000 -0.077 0.000 0.842 288 D CB -0.233 40.539 40.800 -0.046 0.000 0.974 288 D HN 0.306 nan 8.370 nan 0.000 0.447 289 K N 0.107 120.488 120.400 -0.033 0.000 1.986 289 K HA -0.234 4.082 4.320 -0.008 0.000 0.230 289 K C 2.166 178.745 176.600 -0.035 0.000 1.048 289 K CA 1.938 58.224 56.287 -0.002 0.000 1.008 289 K CB -0.936 31.585 32.500 0.036 0.000 0.737 289 K HN -0.012 nan 8.250 nan 0.000 0.447 290 V N 1.446 121.352 119.914 -0.014 0.000 2.265 290 V HA -0.381 3.734 4.120 -0.008 0.000 0.259 290 V C 2.369 178.447 176.094 -0.027 0.000 1.084 290 V CA 2.447 64.752 62.300 0.009 0.000 1.076 290 V CB -0.852 30.966 31.823 -0.008 0.000 0.680 290 V HN 0.381 nan 8.190 nan 0.000 0.452 291 S N -0.985 114.659 115.700 -0.094 0.000 2.370 291 S HA -0.299 4.166 4.470 -0.008 0.000 0.226 291 S C 1.961 176.449 174.600 -0.187 0.000 1.033 291 S CA 1.960 60.079 58.200 -0.135 0.000 1.011 291 S CB -0.383 62.711 63.200 -0.177 0.000 0.852 291 S HN 0.738 nan 8.310 nan 0.000 0.457 292 Q N 0.890 120.515 119.800 -0.290 0.000 2.079 292 Q HA 0.022 4.357 4.340 -0.008 0.000 0.200 292 Q C 2.554 178.223 176.000 -0.551 0.000 0.974 292 Q CA 1.164 56.663 55.803 -0.507 0.000 0.840 292 Q CB -0.452 28.029 28.738 -0.429 0.000 0.898 292 Q HN 0.589 nan 8.270 nan 0.000 0.430 293 A N 0.880 123.479 122.820 -0.368 0.000 2.009 293 A HA -0.257 4.059 4.320 -0.008 0.000 0.222 293 A C 1.861 179.130 177.584 -0.524 0.000 1.175 293 A CA 1.595 53.302 52.037 -0.550 0.000 0.651 293 A CB -0.902 17.882 19.000 -0.361 0.000 0.815 293 A HN 0.528 nan 8.150 nan 0.000 0.459 294 F N -0.995 118.696 119.950 -0.431 0.000 2.113 294 F HA -0.155 4.367 4.527 -0.008 0.000 0.297 294 F C 2.173 177.909 175.800 -0.107 0.000 1.103 294 F CA 1.803 59.599 58.000 -0.340 0.000 1.248 294 F CB -0.304 38.576 39.000 -0.200 0.000 0.999 294 F HN 0.522 nan 8.300 nan 0.000 0.475 295 W N 1.313 122.594 121.300 -0.032 0.000 2.342 295 W HA -0.227 4.428 4.660 -0.008 0.000 0.297 295 W C 2.243 178.771 176.519 0.016 0.000 1.213 295 W CA 2.202 59.593 57.345 0.077 0.000 1.251 295 W CB -0.783 28.678 29.460 0.001 0.000 1.136 295 W HN 0.220 nan 8.180 nan 0.000 0.526 296 H N 0.255 119.470 119.070 0.243 0.000 2.326 296 H HA -0.101 4.450 4.556 -0.008 0.000 0.301 296 H C 2.128 177.443 175.328 -0.022 0.000 1.081 296 H CA 1.644 57.774 56.048 0.137 0.000 1.334 296 H CB -0.771 29.019 29.762 0.046 0.000 1.385 296 H HN 0.103 nan 8.280 nan 0.000 0.504 297 E N 0.151 120.285 120.200 -0.110 0.000 2.110 297 E HA -0.164 4.181 4.350 -0.008 0.000 0.193 297 E C 2.172 178.630 176.600 -0.236 0.000 0.988 297 E CA 0.420 56.701 56.400 -0.199 0.000 0.804 297 E CB -0.420 28.983 29.700 -0.495 0.000 0.745 297 E HN 0.466 nan 8.360 nan 0.000 0.458 298 W N 2.448 123.403 121.300 -0.574 0.000 2.333 298 W HA -0.212 4.444 4.660 -0.008 0.000 0.316 298 W C 2.061 178.383 176.519 -0.327 0.000 1.215 298 W CA 1.536 58.542 57.345 -0.565 0.000 1.278 298 W CB -0.352 28.699 29.460 -0.681 0.000 1.154 298 W HN -0.059 nan 8.180 nan 0.000 0.486 299 R N 0.621 120.867 120.500 -0.423 0.000 2.103 299 R HA -0.187 4.149 4.340 -0.008 0.000 0.242 299 R C 1.965 178.058 176.300 -0.345 0.000 1.142 299 R CA 2.209 58.027 56.100 -0.470 0.000 0.960 299 R CB -1.127 29.099 30.300 -0.124 0.000 0.858 299 R HN 0.367 nan 8.270 nan 0.000 0.439 300 K N -1.341 118.945 120.400 -0.189 0.000 2.217 300 K HA 0.030 4.345 4.320 -0.008 0.000 0.202 300 K C 1.221 177.725 176.600 -0.161 0.000 1.051 300 K CA 0.998 57.207 56.287 -0.130 0.000 0.952 300 K CB 0.186 32.663 32.500 -0.039 0.000 0.736 300 K HN 0.427 nan 8.250 nan 0.000 0.453 301 G N 1.031 109.706 108.800 -0.209 0.000 2.192 301 G HA2 -0.170 3.785 3.960 -0.008 0.000 0.193 301 G HA3 -0.170 3.785 3.960 -0.008 0.000 0.193 301 G C 0.181 175.030 174.900 -0.084 0.000 0.999 301 G CA -0.174 44.825 45.100 -0.169 0.000 0.659 301 G HN 0.147 nan 8.290 nan 0.000 0.503 302 N N 1.607 120.266 118.700 -0.068 0.000 2.567 302 N HA 0.100 4.835 4.740 -0.008 0.000 0.195 302 N C 1.257 176.756 175.510 -0.018 0.000 1.242 302 N CA 1.173 54.218 53.050 -0.009 0.000 0.884 302 N CB -0.006 38.504 38.487 0.037 0.000 1.007 302 N HN 0.841 nan 8.380 nan 0.000 0.450 303 T N -1.749 112.778 114.554 -0.045 0.000 2.904 303 T HA 0.374 4.720 4.350 -0.008 0.000 0.290 303 T C 0.482 175.189 174.700 0.012 0.000 1.018 303 T CA -0.683 61.396 62.100 -0.034 0.000 1.075 303 T CB 1.377 70.279 68.868 0.056 0.000 0.986 303 T HN -0.174 nan 8.240 nan 0.000 0.523 304 I N 1.706 122.269 120.570 -0.011 0.000 2.488 304 I HA 0.354 4.519 4.170 -0.008 0.000 0.299 304 I C 0.588 176.723 176.117 0.030 0.000 0.984 304 I CA -0.495 60.819 61.300 0.023 0.000 1.250 304 I CB 1.731 39.725 38.000 -0.011 0.000 1.389 304 I HN 0.730 nan 8.210 nan 0.000 0.488 305 S N 3.147 118.881 115.700 0.056 0.000 2.475 305 S HA 0.768 5.233 4.470 -0.008 0.000 0.298 305 S C -0.098 174.534 174.600 0.053 0.000 1.119 305 S CA -0.473 57.758 58.200 0.052 0.000 1.085 305 S CB 1.664 64.897 63.200 0.054 0.000 1.028 305 S HN 0.798 nan 8.310 nan 0.000 0.489 306 T N 0.240 114.818 114.554 0.039 0.000 2.792 306 T HA 0.493 4.838 4.350 -0.008 0.000 0.303 306 T C -2.866 171.849 174.700 0.026 0.000 1.310 306 T CA -1.494 60.629 62.100 0.038 0.000 1.007 306 T CB 1.052 69.945 68.868 0.040 0.000 1.335 306 T HN 0.141 nan 8.240 nan 0.000 0.504 307 P HA 0.170 nan 4.420 nan 0.000 0.239 307 P C 0.868 178.175 177.300 0.013 0.000 1.184 307 P CA 0.280 63.393 63.100 0.023 0.000 0.760 307 P CB 0.042 31.757 31.700 0.025 0.000 0.884 308 R N -1.358 119.138 120.500 -0.006 0.000 2.280 308 R HA 0.385 4.720 4.340 -0.008 0.000 0.195 308 R C 1.444 177.707 176.300 -0.061 0.000 0.935 308 R CA 0.662 56.735 56.100 -0.044 0.000 1.033 308 R CB -0.425 29.830 30.300 -0.076 0.000 0.964 308 R HN 0.193 nan 8.270 nan 0.000 0.489 309 G N -0.729 108.054 108.800 -0.028 0.000 2.254 309 G HA2 -0.142 3.813 3.960 -0.008 0.000 0.193 309 G HA3 -0.142 3.813 3.960 -0.008 0.000 0.193 309 G C -1.412 173.476 174.900 -0.019 0.000 1.233 309 G CA -0.412 44.672 45.100 -0.027 0.000 1.290 309 G HN 0.106 nan 8.290 nan 0.000 0.517 310 D N -0.364 120.012 120.400 -0.040 0.000 2.449 310 D HA 0.672 5.307 4.640 -0.008 0.000 0.250 310 D C -0.669 175.646 176.300 0.025 0.000 1.050 310 D CA 0.297 54.301 54.000 0.006 0.000 1.024 310 D CB 2.385 43.187 40.800 0.004 0.000 1.218 310 D HN 1.273 nan 8.370 nan 0.000 0.566 311 V N -0.023 119.916 119.914 0.042 0.000 2.901 311 V HA 0.212 4.327 4.120 -0.008 0.000 0.257 311 V C -0.897 175.130 176.094 -0.111 0.000 1.709 311 V CA -0.715 61.608 62.300 0.038 0.000 0.926 311 V CB 1.153 32.916 31.823 -0.100 0.000 1.291 311 V HN 0.441 nan 8.190 nan 0.000 0.460 312 V N 3.798 123.736 119.914 0.040 0.000 3.743 312 V HA 0.713 4.829 4.120 -0.008 0.000 0.274 312 V C -0.598 175.279 176.094 -0.361 0.000 1.001 312 V CA -0.404 61.866 62.300 -0.050 0.000 0.890 312 V CB 0.769 32.777 31.823 0.308 0.000 1.225 312 V HN 0.917 nan 8.190 nan 0.000 0.411 313 Y N -0.029 120.390 120.300 0.198 0.000 2.346 313 Y HA 0.647 5.192 4.550 -0.008 0.000 0.332 313 Y C -0.516 175.438 175.900 0.091 0.000 0.985 313 Y CA -1.094 57.079 58.100 0.122 0.000 1.112 313 Y CB 1.767 40.287 38.460 0.099 0.000 1.170 313 Y HN 0.568 nan 8.280 nan 0.000 0.447 314 L N 4.709 126.086 121.223 0.257 0.000 2.288 314 L HA 0.426 4.761 4.340 -0.008 0.000 0.283 314 L C -0.578 176.381 176.870 0.148 0.000 1.072 314 L CA -0.265 54.666 54.840 0.152 0.000 0.862 314 L CB -0.015 42.104 42.059 0.100 0.000 1.245 314 L HN 0.580 nan 8.230 nan 0.000 0.432 315 D N 3.017 123.507 120.400 0.151 0.000 2.256 315 D HA 0.347 4.982 4.640 -0.008 0.000 0.250 315 D C 0.578 176.945 176.300 0.111 0.000 1.093 315 D CA -0.025 54.059 54.000 0.139 0.000 0.882 315 D CB 1.058 41.965 40.800 0.177 0.000 1.185 315 D HN 0.600 nan 8.370 nan 0.000 0.437 316 L N 2.738 123.945 121.223 -0.027 0.000 2.993 316 L HA 0.274 4.609 4.340 -0.008 0.000 0.264 316 L C 2.206 178.859 176.870 -0.362 0.000 1.154 316 L CA -0.470 54.233 54.840 -0.229 0.000 0.972 316 L CB 0.036 42.019 42.059 -0.127 0.000 1.373 316 L HN 0.338 nan 8.230 nan 0.000 0.564 317 R N 1.045 121.460 120.500 -0.142 0.000 2.206 317 R HA -0.240 4.095 4.340 -0.008 0.000 0.240 317 R C 1.320 177.547 176.300 -0.122 0.000 1.117 317 R CA 2.270 58.330 56.100 -0.067 0.000 0.915 317 R CB -1.083 29.249 30.300 0.054 0.000 0.888 317 R HN 0.521 nan 8.270 nan 0.000 0.432 318 H N 0.827 119.884 119.070 -0.022 0.000 4.459 318 H HA 0.018 4.569 4.556 -0.008 0.000 0.221 318 H C -0.241 175.076 175.328 -0.020 0.000 0.816 318 H CA 0.638 56.675 56.048 -0.018 0.000 1.266 318 H CB -1.332 28.421 29.762 -0.015 0.000 1.335 318 H HN 0.172 nan 8.280 nan 0.000 0.878 319 L N 0.172 121.274 121.223 -0.203 0.000 2.476 319 L HA 0.428 4.763 4.340 -0.008 0.000 0.269 319 L C 0.992 177.795 176.870 -0.112 0.000 0.965 319 L CA -0.882 53.861 54.840 -0.162 0.000 0.845 319 L CB 2.370 44.290 42.059 -0.231 0.000 1.259 319 L HN 0.315 nan 8.230 nan 0.000 0.403 320 G N 1.115 109.874 108.800 -0.069 0.000 2.467 320 G HA2 0.071 4.026 3.960 -0.008 0.000 0.243 320 G HA3 0.071 4.026 3.960 -0.008 0.000 0.243 320 G C 0.444 175.295 174.900 -0.081 0.000 1.521 320 G CA 0.245 45.313 45.100 -0.053 0.000 1.055 320 G HN 0.650 nan 8.290 nan 0.000 0.553 321 E N -1.075 119.101 120.200 -0.041 0.000 2.201 321 E HA 0.086 4.431 4.350 -0.008 0.000 0.193 321 E C 1.708 178.305 176.600 -0.006 0.000 0.957 321 E CA 0.224 56.604 56.400 -0.034 0.000 0.858 321 E CB 0.073 29.814 29.700 0.069 0.000 0.816 321 E HN 0.281 nan 8.360 nan 0.000 0.475 322 K N 0.994 121.398 120.400 0.007 0.000 3.077 322 K HA 0.010 4.326 4.320 -0.008 0.000 0.269 322 K C 0.407 177.011 176.600 0.007 0.000 0.973 322 K CA 0.446 56.744 56.287 0.018 0.000 1.162 322 K CB -0.260 32.252 32.500 0.019 0.000 1.079 322 K HN -0.131 nan 8.250 nan 0.000 0.456 323 K N -1.359 119.031 120.400 -0.016 0.000 2.971 323 K HA 0.098 4.413 4.320 -0.008 0.000 0.223 323 K C 1.163 177.734 176.600 -0.049 0.000 1.864 323 K CA -0.259 56.013 56.287 -0.027 0.000 1.245 323 K CB -0.446 32.024 32.500 -0.051 0.000 2.182 323 K HN 0.045 nan 8.250 nan 0.000 0.504 324 L N 2.051 123.195 121.223 -0.131 0.000 2.017 324 L HA -0.132 4.203 4.340 -0.008 0.000 0.208 324 L C 1.098 177.843 176.870 -0.208 0.000 1.073 324 L CA 2.031 56.728 54.840 -0.237 0.000 0.745 324 L CB -0.764 41.032 42.059 -0.439 0.000 0.894 324 L HN 0.324 nan 8.230 nan 0.000 0.432 325 H N -1.212 117.865 119.070 0.012 0.000 2.577 325 H HA 0.245 4.797 4.556 -0.008 0.000 0.306 325 H C 0.934 176.274 175.328 0.019 0.000 1.109 325 H CA 0.035 56.091 56.048 0.014 0.000 1.063 325 H CB 0.650 30.415 29.762 0.005 0.000 1.535 325 H HN 0.343 nan 8.280 nan 0.000 0.532 326 E N 0.345 120.611 120.200 0.110 0.000 2.626 326 E HA 0.043 4.388 4.350 -0.008 0.000 0.194 326 E C 1.121 177.772 176.600 0.084 0.000 0.950 326 E CA 0.261 56.712 56.400 0.086 0.000 1.583 326 E CB 0.851 30.592 29.700 0.068 0.000 1.881 326 E HN 0.343 nan 8.360 nan 0.000 0.979 327 R N -0.272 120.273 120.500 0.076 0.000 2.342 327 R HA 0.294 4.630 4.340 -0.008 0.000 0.204 327 R C 0.474 176.833 176.300 0.100 0.000 0.882 327 R CA 0.070 56.223 56.100 0.088 0.000 1.041 327 R CB 1.146 31.487 30.300 0.067 0.000 1.188 327 R HN -0.142 nan 8.270 nan 0.000 0.598 328 L N 1.058 122.331 121.223 0.082 0.000 3.059 328 L HA 0.322 4.657 4.340 -0.008 0.000 0.298 328 L C -2.149 174.796 176.870 0.126 0.000 1.304 328 L CA -1.533 53.364 54.840 0.095 0.000 0.855 328 L CB 1.475 43.563 42.059 0.048 0.000 1.266 328 L HN -0.153 nan 8.230 nan 0.000 0.572 329 P HA -0.141 nan 4.420 nan 0.000 0.213 329 P C 1.761 179.178 177.300 0.195 0.000 1.170 329 P CA 1.008 64.204 63.100 0.160 0.000 0.893 329 P CB 0.143 31.903 31.700 0.101 0.000 0.784 330 F N 0.314 120.285 119.950 0.035 0.000 2.045 330 F HA -0.254 4.268 4.527 -0.008 0.000 0.297 330 F C 2.026 177.850 175.800 0.040 0.000 1.114 330 F CA 1.377 59.391 58.000 0.023 0.000 1.207 330 F CB -1.365 37.644 39.000 0.015 0.000 0.964 330 F HN -0.227 nan 8.300 nan 0.000 0.486 331 I N -0.466 120.263 120.570 0.265 0.000 2.185 331 I HA -0.379 3.786 4.170 -0.008 0.000 0.246 331 I C 2.847 179.040 176.117 0.126 0.000 1.088 331 I CA 1.447 62.824 61.300 0.129 0.000 1.347 331 I CB -1.491 36.557 38.000 0.081 0.000 1.041 331 I HN 0.244 nan 8.210 nan 0.000 0.415 332 C N -0.370 119.010 119.300 0.133 0.000 2.453 332 C HA -0.130 4.325 4.460 -0.008 0.000 0.277 332 C C 2.830 177.883 174.990 0.104 0.000 1.262 332 C CA 0.756 59.842 59.018 0.114 0.000 1.718 332 C CB -0.842 26.993 27.740 0.158 0.000 2.031 332 C HN 0.538 nan 8.230 nan 0.000 0.480 333 E N 0.310 120.583 120.200 0.123 0.000 2.038 333 E HA -0.228 4.117 4.350 -0.008 0.000 0.195 333 E C 2.064 178.706 176.600 0.070 0.000 1.000 333 E CA 1.320 57.765 56.400 0.075 0.000 0.803 333 E CB -0.213 29.535 29.700 0.080 0.000 0.750 333 E HN 0.559 nan 8.360 nan 0.000 0.448 334 L N 0.308 121.650 121.223 0.198 0.000 1.990 334 L HA -0.294 4.042 4.340 -0.008 0.000 0.213 334 L C 2.636 179.611 176.870 0.175 0.000 1.072 334 L CA 1.516 56.512 54.840 0.260 0.000 0.755 334 L CB -0.552 41.650 42.059 0.238 0.000 0.889 334 L HN 0.236 nan 8.230 nan 0.000 0.432 335 A N -0.299 122.592 122.820 0.118 0.000 1.865 335 A HA -0.295 4.020 4.320 -0.008 0.000 0.217 335 A C 2.379 179.990 177.584 0.045 0.000 1.191 335 A CA 2.253 54.342 52.037 0.087 0.000 0.623 335 A CB -0.574 18.468 19.000 0.070 0.000 0.826 335 A HN 0.354 nan 8.150 nan 0.000 0.444 336 K N -0.608 119.801 120.400 0.015 0.000 2.026 336 K HA -0.095 4.220 4.320 -0.008 0.000 0.208 336 K C 2.205 178.767 176.600 -0.065 0.000 1.048 336 K CA 1.231 57.510 56.287 -0.013 0.000 0.929 336 K CB -0.324 32.169 32.500 -0.012 0.000 0.713 336 K HN 0.407 nan 8.250 nan 0.000 0.439 337 A N 0.372 123.098 122.820 -0.157 0.000 1.825 337 A HA -0.145 4.170 4.320 -0.008 0.000 0.214 337 A C 2.006 179.415 177.584 -0.292 0.000 1.206 337 A CA 1.440 53.285 52.037 -0.321 0.000 0.609 337 A CB -1.125 17.498 19.000 -0.628 0.000 0.851 337 A HN 0.441 nan 8.150 nan 0.000 0.445 338 Y N -0.250 120.062 120.300 0.020 0.000 2.293 338 Y HA -0.081 4.464 4.550 -0.008 0.000 0.291 338 Y C 2.378 178.283 175.900 0.008 0.000 1.137 338 Y CA 1.265 59.372 58.100 0.011 0.000 1.202 338 Y CB -0.065 38.397 38.460 0.004 0.000 0.990 338 Y HN 0.269 nan 8.280 nan 0.000 0.537 339 V N -4.829 115.159 119.914 0.124 0.000 3.013 339 V HA 0.598 4.713 4.120 -0.008 0.000 0.238 339 V C 1.407 177.533 176.094 0.054 0.000 1.161 339 V CA 0.492 62.843 62.300 0.085 0.000 1.170 339 V CB 0.096 31.970 31.823 0.085 0.000 0.917 339 V HN 0.254 nan 8.190 nan 0.000 0.478 340 G N 0.325 109.146 108.800 0.035 0.000 2.237 340 G HA2 -0.066 3.889 3.960 -0.008 0.000 0.153 340 G HA3 -0.066 3.889 3.960 -0.008 0.000 0.153 340 G C -0.399 174.516 174.900 0.024 0.000 1.039 340 G CA -0.072 45.039 45.100 0.018 0.000 0.719 340 G HN 0.813 nan 8.290 nan 0.000 0.491 341 V N 0.475 120.408 119.914 0.031 0.000 2.604 341 V HA 0.585 4.700 4.120 -0.008 0.000 0.305 341 V C -0.673 175.437 176.094 0.027 0.000 1.043 341 V CA -0.982 61.336 62.300 0.030 0.000 0.888 341 V CB 2.052 33.903 31.823 0.046 0.000 0.995 341 V HN 0.309 nan 8.190 nan 0.000 0.429 342 D N 5.661 126.073 120.400 0.019 0.000 2.359 342 D HA 0.324 4.960 4.640 -0.008 0.000 0.230 342 D C -2.259 174.049 176.300 0.013 0.000 1.118 342 D CA -1.979 52.036 54.000 0.025 0.000 0.844 342 D CB 2.200 43.016 40.800 0.026 0.000 1.059 342 D HN 0.220 nan 8.370 nan 0.000 0.493 343 P HA -0.061 nan 4.420 nan 0.000 0.290 343 P C 0.600 177.864 177.300 -0.061 0.000 1.584 343 P CA 0.482 63.570 63.100 -0.020 0.000 0.813 343 P CB 0.030 31.721 31.700 -0.015 0.000 1.775 344 V N -5.976 113.914 119.914 -0.040 0.000 3.195 344 V HA 0.210 4.325 4.120 -0.008 0.000 0.256 344 V C 1.193 177.274 176.094 -0.022 0.000 1.735 344 V CA 0.218 62.489 62.300 -0.049 0.000 1.017 344 V CB -0.168 31.629 31.823 -0.043 0.000 0.897 344 V HN -0.095 nan 8.190 nan 0.000 0.387 345 K N 0.466 120.859 120.400 -0.011 0.000 2.373 345 K HA 0.516 4.831 4.320 -0.008 0.000 0.200 345 K C 0.180 176.768 176.600 -0.020 0.000 1.054 345 K CA 0.227 56.509 56.287 -0.009 0.000 1.065 345 K CB 0.900 33.400 32.500 0.000 0.000 0.886 345 K HN 0.617 nan 8.250 nan 0.000 0.546 346 E N -0.038 120.146 120.200 -0.027 0.000 2.439 346 E HA 0.235 4.581 4.350 -0.008 0.000 0.279 346 E C -2.967 173.600 176.600 -0.054 0.000 1.077 346 E CA -1.812 54.557 56.400 -0.052 0.000 0.849 346 E CB 2.848 32.517 29.700 -0.051 0.000 1.408 346 E HN -0.147 nan 8.360 nan 0.000 0.457 347 P HA 0.425 nan 4.420 nan 0.000 0.290 347 P C -0.654 176.665 177.300 0.033 0.000 1.275 347 P CA -0.435 62.615 63.100 -0.083 0.000 0.841 347 P CB 0.968 32.505 31.700 -0.272 0.000 1.042 348 I N 2.797 123.463 120.570 0.160 0.000 2.342 348 I HA 0.284 4.450 4.170 -0.008 0.000 0.291 348 I C -2.253 174.057 176.117 0.322 0.000 1.010 348 I CA -2.881 58.541 61.300 0.204 0.000 1.308 348 I CB 0.741 38.813 38.000 0.119 0.000 1.400 348 I HN 0.042 nan 8.210 nan 0.000 0.488 349 P HA 0.073 nan 4.420 nan 0.000 0.271 349 P C -0.483 176.829 177.300 0.019 0.000 1.233 349 P CA 0.040 63.211 63.100 0.119 0.000 0.764 349 P CB 0.675 32.438 31.700 0.106 0.000 0.825 350 V N 1.896 121.790 119.914 -0.033 0.000 3.156 350 V HA 0.926 5.041 4.120 -0.008 0.000 0.311 350 V C -0.528 175.491 176.094 -0.125 0.000 1.208 350 V CA -1.127 61.140 62.300 -0.054 0.000 1.063 350 V CB 2.440 34.263 31.823 -0.000 0.000 1.098 350 V HN 0.674 nan 8.190 nan 0.000 0.452 351 R N -1.250 119.108 120.500 -0.237 0.000 3.033 351 R HA 0.460 4.795 4.340 -0.008 0.000 0.284 351 R C -3.500 172.511 176.300 -0.483 0.000 0.997 351 R CA -1.314 54.446 56.100 -0.568 0.000 0.851 351 R CB 0.679 30.640 30.300 -0.565 0.000 1.297 351 R HN 0.479 nan 8.270 nan 0.000 0.518 352 P HA 0.145 nan 4.420 nan 0.000 0.271 352 P C -0.832 176.401 177.300 -0.112 0.000 1.216 352 P CA 0.143 63.094 63.100 -0.249 0.000 0.771 352 P CB 1.070 32.640 31.700 -0.217 0.000 0.864 353 T N -0.483 113.999 114.554 -0.120 0.000 2.924 353 T HA 0.738 5.083 4.350 -0.008 0.000 0.291 353 T C -0.396 173.896 174.700 -0.680 0.000 1.045 353 T CA -1.123 60.798 62.100 -0.298 0.000 1.015 353 T CB 1.552 70.290 68.868 -0.218 0.000 1.103 353 T HN 0.260 nan 8.240 nan 0.000 0.496 354 A N 1.294 123.639 122.820 -0.792 0.000 2.347 354 A HA 0.503 4.818 4.320 -0.008 0.000 0.287 354 A C 0.247 177.681 177.584 -0.249 0.000 1.199 354 A CA -0.117 51.389 52.037 -0.885 0.000 0.851 354 A CB -0.393 18.184 19.000 -0.706 0.000 1.118 354 A HN 1.015 nan 8.150 nan 0.000 0.525 355 H N 1.944 120.858 119.070 -0.260 0.000 3.500 355 H HA 0.362 4.913 4.556 -0.008 0.000 0.231 355 H C -0.352 174.996 175.328 0.033 0.000 1.357 355 H CA 0.544 56.560 56.048 -0.053 0.000 1.785 355 H CB -0.353 29.437 29.762 0.048 0.000 1.552 355 H HN 0.643 nan 8.280 nan 0.000 0.522 356 Y N 0.041 120.261 120.300 -0.134 0.000 2.458 356 Y HA 0.348 4.893 4.550 -0.008 0.000 0.322 356 Y C -0.250 175.615 175.900 -0.059 0.000 1.259 356 Y CA -0.339 57.645 58.100 -0.193 0.000 1.302 356 Y CB 1.351 39.668 38.460 -0.238 0.000 1.314 356 Y HN 0.197 nan 8.280 nan 0.000 0.509 357 T N 5.275 119.580 114.554 -0.414 0.000 3.253 357 T HA 0.188 4.533 4.350 -0.008 0.000 0.391 357 T C 1.009 175.676 174.700 -0.055 0.000 1.527 357 T CA -0.426 61.567 62.100 -0.179 0.000 1.268 357 T CB -0.029 68.688 68.868 -0.250 0.000 1.126 357 T HN 0.698 nan 8.240 nan 0.000 0.620 358 M N 0.915 120.689 119.600 0.290 0.000 2.419 358 M HA -0.052 4.423 4.480 -0.008 0.000 0.260 358 M C 1.816 178.235 176.300 0.198 0.000 1.073 358 M CA 0.949 56.446 55.300 0.327 0.000 1.056 358 M CB -0.562 32.181 32.600 0.239 0.000 1.394 358 M HN 0.671 nan 8.290 nan 0.000 0.444 359 G N -0.540 108.321 108.800 0.102 0.000 2.580 359 G HA2 0.489 4.444 3.960 -0.008 0.000 0.225 359 G HA3 0.489 4.444 3.960 -0.008 0.000 0.225 359 G C 0.396 175.298 174.900 0.005 0.000 1.521 359 G CA 0.123 45.242 45.100 0.032 0.000 1.068 359 G HN 0.475 nan 8.290 nan 0.000 0.564 360 G N -1.307 107.469 108.800 -0.040 0.000 2.601 360 G HA2 0.418 4.373 3.960 -0.008 0.000 0.080 360 G HA3 0.418 4.373 3.960 -0.008 0.000 0.080 360 G C -1.249 173.599 174.900 -0.087 0.000 1.046 360 G CA 0.008 45.073 45.100 -0.058 0.000 1.143 360 G HN 1.492 nan 8.290 nan 0.000 0.507 361 I N -2.414 118.098 120.570 -0.097 0.000 2.637 361 I HA 0.620 4.785 4.170 -0.008 0.000 0.285 361 I C -0.429 175.606 176.117 -0.137 0.000 1.222 361 I CA -0.883 60.341 61.300 -0.128 0.000 1.067 361 I CB 2.040 39.970 38.000 -0.117 0.000 1.279 361 I HN 0.479 nan 8.210 nan 0.000 0.441 362 E N 4.215 124.314 120.200 -0.168 0.000 0.808 362 E HA -0.179 4.166 4.350 -0.008 0.000 0.262 362 E C -0.598 175.916 176.600 -0.143 0.000 0.578 362 E CA 0.909 57.212 56.400 -0.161 0.000 0.872 362 E CB -0.309 29.286 29.700 -0.175 0.000 0.868 362 E HN 0.698 nan 8.360 nan 0.000 0.288 363 T N 3.386 117.858 114.554 -0.138 0.000 2.788 363 T HA 0.293 4.639 4.350 -0.008 0.000 0.296 363 T C -0.317 174.308 174.700 -0.125 0.000 1.009 363 T CA -0.862 61.161 62.100 -0.127 0.000 0.949 363 T CB 0.797 69.611 68.868 -0.089 0.000 0.946 363 T HN 0.364 nan 8.240 nan 0.000 0.453 364 D N 2.552 122.866 120.400 -0.143 0.000 2.346 364 D HA -0.063 4.572 4.640 -0.008 0.000 0.236 364 D C 1.072 177.303 176.300 -0.114 0.000 1.259 364 D CA -0.365 53.561 54.000 -0.124 0.000 0.898 364 D CB 0.637 41.347 40.800 -0.150 0.000 1.178 364 D HN 0.376 nan 8.370 nan 0.000 0.457 365 Q N -0.637 119.114 119.800 -0.082 0.000 2.376 365 Q HA -0.072 4.263 4.340 -0.008 0.000 0.211 365 Q C -0.082 175.819 176.000 -0.165 0.000 0.986 365 Q CA 1.137 56.897 55.803 -0.072 0.000 0.886 365 Q CB -0.337 28.390 28.738 -0.019 0.000 0.927 365 Q HN 0.448 nan 8.270 nan 0.000 0.457 366 N N -0.260 118.328 118.700 -0.186 0.000 2.648 366 N HA 0.222 4.958 4.740 -0.008 0.000 0.261 366 N C -1.300 174.046 175.510 -0.273 0.000 1.138 366 N CA -0.621 52.285 53.050 -0.240 0.000 0.804 366 N CB 1.118 39.505 38.487 -0.167 0.000 1.237 366 N HN 0.067 nan 8.380 nan 0.000 0.532 367 C N 2.086 121.244 119.300 -0.236 0.000 1.028 367 C HA -0.168 4.288 4.460 -0.008 0.000 0.505 367 C C 0.973 175.639 174.990 -0.539 0.000 1.348 367 C CA 0.676 59.566 59.018 -0.214 0.000 1.848 367 C CB -1.877 25.851 27.740 -0.021 0.000 3.319 367 C HN 0.786 nan 8.230 nan 0.000 0.566 368 E N 1.610 121.526 120.200 -0.474 0.000 3.664 368 E HA 0.227 4.572 4.350 -0.008 0.000 0.378 368 E C 0.189 176.602 176.600 -0.311 0.000 1.032 368 E CA 0.045 56.067 56.400 -0.629 0.000 0.817 368 E CB 0.622 29.794 29.700 -0.880 0.000 1.281 368 E HN 0.768 nan 8.360 nan 0.000 0.488 369 T N 1.231 115.658 114.554 -0.212 0.000 2.750 369 T HA 0.224 4.569 4.350 -0.008 0.000 0.351 369 T C 1.366 175.985 174.700 -0.135 0.000 1.082 369 T CA -0.276 61.733 62.100 -0.151 0.000 1.022 369 T CB 0.432 69.230 68.868 -0.116 0.000 1.249 369 T HN 0.531 nan 8.240 nan 0.000 0.520 370 R N -0.277 120.161 120.500 -0.104 0.000 2.096 370 R HA 0.003 4.339 4.340 -0.008 0.000 0.235 370 R C 0.870 177.129 176.300 -0.068 0.000 1.127 370 R CA 0.714 56.774 56.100 -0.067 0.000 0.968 370 R CB -0.746 29.534 30.300 -0.032 0.000 0.861 370 R HN 0.518 nan 8.270 nan 0.000 0.440 371 I N 2.022 122.541 120.570 -0.084 0.000 2.779 371 I HA 0.022 4.187 4.170 -0.008 0.000 0.285 371 I C 0.766 176.807 176.117 -0.127 0.000 1.134 371 I CA -0.429 60.809 61.300 -0.104 0.000 1.398 371 I CB 0.189 38.111 38.000 -0.130 0.000 1.404 371 I HN -0.185 nan 8.210 nan 0.000 0.587 372 K N 3.367 123.682 120.400 -0.142 0.000 2.263 372 K HA 0.431 4.746 4.320 -0.008 0.000 0.282 372 K C 0.776 177.272 176.600 -0.173 0.000 1.089 372 K CA 0.436 56.667 56.287 -0.094 0.000 0.907 372 K CB 0.745 33.266 32.500 0.034 0.000 1.148 372 K HN 0.952 nan 8.250 nan 0.000 0.470 373 G N 2.598 111.426 108.800 0.046 0.000 2.424 373 G HA2 -0.247 3.708 3.960 -0.008 0.000 0.207 373 G HA3 -0.247 3.708 3.960 -0.008 0.000 0.207 373 G C 0.070 175.156 174.900 0.310 0.000 1.061 373 G CA -0.523 44.715 45.100 0.229 0.000 0.657 373 G HN 0.468 nan 8.290 nan 0.000 0.508 374 L N 3.599 124.850 121.223 0.046 0.000 2.679 374 L HA 0.497 4.833 4.340 -0.008 0.000 0.241 374 L C 0.800 177.745 176.870 0.125 0.000 1.441 374 L CA -0.448 54.416 54.840 0.041 0.000 1.181 374 L CB -1.578 40.444 42.059 -0.062 0.000 1.451 374 L HN 0.217 nan 8.230 nan 0.000 0.446 375 F N 1.142 121.039 119.950 -0.089 0.000 2.553 375 F HA 0.329 4.851 4.527 -0.008 0.000 0.292 375 F C 1.042 176.804 175.800 -0.064 0.000 1.267 375 F CA 0.029 57.985 58.000 -0.073 0.000 1.323 375 F CB -0.037 38.925 39.000 -0.063 0.000 1.266 375 F HN 0.310 nan 8.300 nan 0.000 0.537 376 A N 0.055 122.974 122.820 0.164 0.000 2.562 376 A HA 0.553 4.868 4.320 -0.008 0.000 0.305 376 A C -1.812 175.816 177.584 0.074 0.000 1.059 376 A CA -0.464 51.618 52.037 0.076 0.000 0.835 376 A CB 0.782 19.788 19.000 0.010 0.000 1.299 376 A HN 0.855 nan 8.150 nan 0.000 0.392 377 V N 1.886 121.849 119.914 0.082 0.000 3.049 377 V HA 0.956 5.071 4.120 -0.008 0.000 0.309 377 V C 0.384 176.533 176.094 0.091 0.000 1.148 377 V CA 1.283 63.647 62.300 0.107 0.000 0.990 377 V CB 1.845 33.747 31.823 0.132 0.000 1.039 377 V HN 3.031 nan 8.190 nan 0.000 0.430 378 G N 3.983 112.845 108.800 0.103 0.000 2.342 378 G HA2 -0.125 3.830 3.960 -0.008 0.000 0.220 378 G HA3 -0.125 3.830 3.960 -0.008 0.000 0.220 378 G C 0.349 175.314 174.900 0.109 0.000 1.243 378 G CA 0.431 45.591 45.100 0.099 0.000 1.083 378 G HN 1.185 nan 8.290 nan 0.000 0.500 379 E N -0.568 119.682 120.200 0.083 0.000 2.208 379 E HA -0.077 4.268 4.350 -0.008 0.000 0.193 379 E C 2.558 179.096 176.600 -0.102 0.000 0.988 379 E CA 2.088 58.483 56.400 -0.008 0.000 0.828 379 E CB -0.347 29.212 29.700 -0.237 0.000 0.763 379 E HN 0.827 nan 8.360 nan 0.000 0.478 380 C N 0.557 119.822 119.300 -0.059 0.000 2.446 380 C HA 0.106 4.561 4.460 -0.008 0.000 0.279 380 C C 1.586 176.551 174.990 -0.043 0.000 1.366 380 C CA -0.165 58.814 59.018 -0.064 0.000 1.763 380 C CB -1.282 26.432 27.740 -0.043 0.000 1.929 380 C HN 0.273 nan 8.230 nan 0.000 0.509 381 S N 1.663 117.358 115.700 -0.008 0.000 2.525 381 S HA 0.526 4.991 4.470 -0.008 0.000 0.278 381 S C 0.089 174.682 174.600 -0.011 0.000 1.234 381 S CA 0.316 58.510 58.200 -0.011 0.000 1.058 381 S CB 1.117 64.328 63.200 0.018 0.000 0.983 381 S HN 0.711 nan 8.310 nan 0.000 0.495 382 S N 1.705 117.374 115.700 -0.051 0.000 2.738 382 S HA 0.154 4.619 4.470 -0.008 0.000 0.227 382 S C 1.264 175.792 174.600 -0.120 0.000 1.311 382 S CA -0.249 57.905 58.200 -0.078 0.000 1.249 382 S CB -0.481 62.659 63.200 -0.100 0.000 1.030 382 S HN 1.217 nan 8.310 nan 0.000 0.512 383 V N -1.162 118.705 119.914 -0.077 0.000 2.909 383 V HA 0.104 4.219 4.120 -0.008 0.000 0.265 383 V C 1.447 177.480 176.094 -0.100 0.000 1.128 383 V CA 0.982 63.261 62.300 -0.035 0.000 1.149 383 V CB -1.996 29.927 31.823 0.166 0.000 0.725 383 V HN 1.278 nan 8.190 nan 0.000 0.511 384 G N -0.014 108.677 108.800 -0.182 0.000 2.303 384 G HA2 -0.200 3.755 3.960 -0.008 0.000 0.260 384 G HA3 -0.200 3.755 3.960 -0.008 0.000 0.260 384 G C -0.043 174.742 174.900 -0.192 0.000 1.106 384 G CA 0.292 45.282 45.100 -0.183 0.000 0.900 384 G HN 0.792 nan 8.290 nan 0.000 0.495 385 L N -1.012 119.949 121.223 -0.438 0.000 2.515 385 L HA 0.424 4.759 4.340 -0.008 0.000 0.223 385 L C 1.936 178.439 176.870 -0.613 0.000 1.079 385 L CA 1.510 55.973 54.840 -0.629 0.000 0.857 385 L CB -0.067 41.334 42.059 -1.097 0.000 1.050 385 L HN 0.466 nan 8.230 nan 0.000 0.476 386 H N -1.810 117.155 119.070 -0.176 0.000 2.302 386 H HA 0.459 5.010 4.556 -0.008 0.000 0.252 386 H C 1.684 176.925 175.328 -0.145 0.000 1.017 386 H CA 0.559 56.515 56.048 -0.154 0.000 1.404 386 H CB -0.634 29.046 29.762 -0.136 0.000 1.394 386 H HN 0.087 nan 8.280 nan 0.000 0.560 387 G N 1.325 110.098 108.800 -0.045 0.000 5.359 387 G HA2 -0.451 3.504 3.960 -0.008 0.000 0.333 387 G HA3 -0.451 3.504 3.960 -0.008 0.000 0.333 387 G C 1.568 176.111 174.900 -0.594 0.000 1.365 387 G CA 2.380 47.318 45.100 -0.270 0.000 1.008 387 G HN 0.768 nan 8.290 nan 0.000 0.816 388 A N 0.253 122.930 122.820 -0.239 0.000 1.832 388 A HA 0.374 4.689 4.320 -0.008 0.000 0.214 388 A C 1.049 178.794 177.584 0.269 0.000 1.242 388 A CA 1.773 53.864 52.037 0.090 0.000 0.603 388 A CB -0.108 18.999 19.000 0.178 0.000 0.902 388 A HN 0.697 nan 8.150 nan 0.000 0.455 389 N N -0.026 118.747 118.700 0.121 0.000 2.491 389 N HA 0.251 4.986 4.740 -0.008 0.000 0.274 389 N C -1.011 174.515 175.510 0.026 0.000 1.023 389 N CA -0.369 52.737 53.050 0.094 0.000 0.902 389 N CB 1.698 40.221 38.487 0.060 0.000 1.267 389 N HN 0.428 nan 8.380 nan 0.000 0.503 390 R N 2.808 123.287 120.500 -0.035 0.000 2.413 390 R HA 0.084 4.419 4.340 -0.008 0.000 0.333 390 R C 0.087 176.324 176.300 -0.105 0.000 1.074 390 R CA -0.380 55.602 56.100 -0.197 0.000 0.982 390 R CB -0.028 29.909 30.300 -0.605 0.000 0.981 390 R HN 0.464 nan 8.270 nan 0.000 0.452 391 L N 3.651 124.854 121.223 -0.034 0.000 2.479 391 L HA 0.191 4.526 4.340 -0.008 0.000 0.270 391 L C 0.654 177.523 176.870 -0.003 0.000 1.236 391 L CA 0.908 55.736 54.840 -0.020 0.000 0.823 391 L CB 0.465 42.513 42.059 -0.019 0.000 1.098 391 L HN 0.774 nan 8.230 nan 0.000 0.500 392 G N 1.225 110.050 108.800 0.042 0.000 2.365 392 G HA2 0.370 4.325 3.960 -0.008 0.000 0.249 392 G HA3 0.370 4.325 3.960 -0.008 0.000 0.249 392 G C 0.355 175.347 174.900 0.154 0.000 1.288 392 G CA 0.290 45.466 45.100 0.126 0.000 0.887 392 G HN 1.664 nan 8.290 nan 0.000 0.524 393 S N 0.987 116.784 115.700 0.162 0.000 3.749 393 S HA -0.214 4.252 4.470 -0.008 0.000 0.348 393 S C 0.741 175.408 174.600 0.112 0.000 1.045 393 S CA 0.891 59.161 58.200 0.116 0.000 1.051 393 S CB -1.902 61.359 63.200 0.102 0.000 0.898 393 S HN 0.716 nan 8.310 nan 0.000 0.472 394 N N 1.332 120.068 118.700 0.061 0.000 2.612 394 N HA 0.118 4.853 4.740 -0.008 0.000 0.224 394 N C 1.718 177.232 175.510 0.006 0.000 1.051 394 N CA 1.039 54.137 53.050 0.080 0.000 0.889 394 N CB -0.453 38.052 38.487 0.029 0.000 1.449 394 N HN 0.781 nan 8.380 nan 0.000 0.442 395 S N 0.742 116.370 115.700 -0.120 0.000 2.571 395 S HA 0.012 4.477 4.470 -0.008 0.000 0.245 395 S C 1.744 176.355 174.600 0.019 0.000 0.976 395 S CA 0.652 58.771 58.200 -0.135 0.000 0.954 395 S CB -0.326 62.570 63.200 -0.508 0.000 0.756 395 S HN 0.178 nan 8.310 nan 0.000 0.535 396 L N 0.345 121.601 121.223 0.055 0.000 2.416 396 L HA 0.331 4.667 4.340 -0.008 0.000 0.188 396 L C 2.829 179.765 176.870 0.109 0.000 1.145 396 L CA 0.690 55.594 54.840 0.106 0.000 0.826 396 L CB -0.892 41.247 42.059 0.133 0.000 1.064 396 L HN 0.359 nan 8.230 nan 0.000 0.490 397 A N -0.317 122.566 122.820 0.105 0.000 2.285 397 A HA -0.229 4.086 4.320 -0.008 0.000 0.214 397 A C 2.058 179.807 177.584 0.275 0.000 1.188 397 A CA 1.576 53.669 52.037 0.094 0.000 0.707 397 A CB -0.590 18.441 19.000 0.051 0.000 0.771 397 A HN 0.536 nan 8.150 nan 0.000 0.488 398 E N 0.186 120.501 120.200 0.192 0.000 2.030 398 E HA -0.090 4.255 4.350 -0.008 0.000 0.189 398 E C 1.677 178.353 176.600 0.127 0.000 0.974 398 E CA 0.822 57.249 56.400 0.045 0.000 0.807 398 E CB -0.238 29.363 29.700 -0.166 0.000 0.771 398 E HN 0.595 nan 8.360 nan 0.000 0.451 399 L N 1.378 122.671 121.223 0.117 0.000 2.357 399 L HA -0.186 4.149 4.340 -0.008 0.000 0.220 399 L C 2.509 179.462 176.870 0.139 0.000 1.123 399 L CA 1.085 56.006 54.840 0.136 0.000 0.782 399 L CB -0.715 41.419 42.059 0.125 0.000 0.910 399 L HN 0.207 nan 8.230 nan 0.000 0.442 400 V N -5.568 114.425 119.914 0.131 0.000 2.690 400 V HA 0.074 4.190 4.120 -0.008 0.000 0.240 400 V C 1.951 178.105 176.094 0.101 0.000 1.078 400 V CA 0.544 62.887 62.300 0.071 0.000 1.102 400 V CB -0.036 31.774 31.823 -0.021 0.000 0.800 400 V HN 0.080 nan 8.190 nan 0.000 0.479 401 V N -0.711 119.322 119.914 0.198 0.000 3.306 401 V HA 0.146 4.261 4.120 -0.008 0.000 0.264 401 V C 1.856 178.140 176.094 0.316 0.000 1.149 401 V CA 1.359 63.813 62.300 0.256 0.000 1.143 401 V CB -0.829 31.154 31.823 0.267 0.000 0.767 401 V HN 0.508 nan 8.190 nan 0.000 0.476 402 F N 0.620 120.579 119.950 0.014 0.000 2.639 402 F HA 0.472 4.994 4.527 -0.008 0.000 0.302 402 F C 1.721 177.497 175.800 -0.041 0.000 1.097 402 F CA -0.020 57.943 58.000 -0.062 0.000 1.294 402 F CB 0.070 39.057 39.000 -0.022 0.000 1.027 402 F HN 0.112 nan 8.300 nan 0.000 0.550 403 G N -0.593 108.277 108.800 0.117 0.000 2.645 403 G HA2 -0.029 3.926 3.960 -0.008 0.000 0.207 403 G HA3 -0.029 3.926 3.960 -0.008 0.000 0.207 403 G C 1.745 176.662 174.900 0.027 0.000 1.145 403 G CA -0.066 45.080 45.100 0.076 0.000 0.831 403 G HN 0.149 nan 8.290 nan 0.000 0.563 404 R N -0.064 120.450 120.500 0.024 0.000 2.105 404 R HA 0.049 4.384 4.340 -0.008 0.000 0.239 404 R C 2.397 178.681 176.300 -0.028 0.000 1.135 404 R CA 0.935 57.048 56.100 0.020 0.000 0.967 404 R CB -0.377 29.949 30.300 0.044 0.000 0.861 404 R HN 0.342 nan 8.270 nan 0.000 0.442 405 L N 0.085 121.239 121.223 -0.115 0.000 1.933 405 L HA -0.227 4.108 4.340 -0.008 0.000 0.220 405 L C 2.417 179.230 176.870 -0.096 0.000 1.078 405 L CA 1.712 56.412 54.840 -0.234 0.000 0.773 405 L CB -0.606 41.098 42.059 -0.591 0.000 0.890 405 L HN 0.334 nan 8.230 nan 0.000 0.434 406 A N -0.536 122.257 122.820 -0.046 0.000 2.234 406 A HA -0.105 4.210 4.320 -0.008 0.000 0.216 406 A C 1.993 179.558 177.584 -0.031 0.000 1.167 406 A CA 1.539 53.623 52.037 0.078 0.000 0.698 406 A CB -1.057 18.014 19.000 0.118 0.000 0.779 406 A HN 0.628 nan 8.150 nan 0.000 0.475 407 G N -0.410 108.367 108.800 -0.037 0.000 2.624 407 G HA2 -0.074 3.882 3.960 -0.008 0.000 0.216 407 G HA3 -0.074 3.882 3.960 -0.008 0.000 0.216 407 G C 1.184 176.049 174.900 -0.057 0.000 1.274 407 G CA 0.620 45.686 45.100 -0.057 0.000 0.856 407 G HN 0.542 nan 8.290 nan 0.000 0.555 408 E N 0.273 120.461 120.200 -0.020 0.000 2.136 408 E HA -0.272 4.074 4.350 -0.008 0.000 0.208 408 E C 2.672 179.276 176.600 0.006 0.000 1.035 408 E CA 1.602 58.002 56.400 -0.001 0.000 0.838 408 E CB -0.086 29.628 29.700 0.024 0.000 0.748 408 E HN 0.346 nan 8.360 nan 0.000 0.459 409 Q N 0.015 119.837 119.800 0.035 0.000 1.990 409 Q HA -0.097 4.238 4.340 -0.008 0.000 0.200 409 Q C 2.413 178.447 176.000 0.057 0.000 0.980 409 Q CA 1.395 57.273 55.803 0.124 0.000 0.832 409 Q CB -0.807 28.109 28.738 0.296 0.000 0.897 409 Q HN 0.324 nan 8.270 nan 0.000 0.427 410 A N 1.544 124.217 122.820 -0.245 0.000 1.940 410 A HA -0.287 4.028 4.320 -0.008 0.000 0.221 410 A C 2.402 179.812 177.584 -0.290 0.000 1.190 410 A CA 3.028 54.629 52.037 -0.727 0.000 0.647 410 A CB -1.315 17.165 19.000 -0.868 0.000 0.821 410 A HN 0.643 nan 8.150 nan 0.000 0.457 411 T N -1.523 112.936 114.554 -0.159 0.000 2.684 411 T HA -0.195 4.150 4.350 -0.008 0.000 0.267 411 T C 1.512 176.190 174.700 -0.037 0.000 1.036 411 T CA 1.580 63.629 62.100 -0.085 0.000 1.148 411 T CB -0.601 68.234 68.868 -0.055 0.000 0.863 411 T HN 0.677 nan 8.240 nan 0.000 0.436 412 E N 0.577 120.774 120.200 -0.004 0.000 2.409 412 E HA 0.013 4.358 4.350 -0.008 0.000 0.198 412 E C 2.041 178.673 176.600 0.054 0.000 1.024 412 E CA 0.354 56.771 56.400 0.028 0.000 0.861 412 E CB -0.060 29.668 29.700 0.046 0.000 0.788 412 E HN 0.266 nan 8.360 nan 0.000 0.521 413 R N -0.272 120.265 120.500 0.062 0.000 2.393 413 R HA 0.200 4.535 4.340 -0.008 0.000 0.244 413 R C 0.762 177.111 176.300 0.080 0.000 0.920 413 R CA 0.469 56.645 56.100 0.126 0.000 1.076 413 R CB 0.434 30.927 30.300 0.322 0.000 1.119 413 R HN 0.103 nan 8.270 nan 0.000 0.524 414 A N -1.493 121.339 122.820 0.020 0.000 2.377 414 A HA 0.423 4.738 4.320 -0.008 0.000 0.209 414 A C 1.478 179.061 177.584 -0.002 0.000 1.359 414 A CA 0.323 52.366 52.037 0.011 0.000 1.026 414 A CB 0.210 19.195 19.000 -0.025 0.000 1.224 414 A HN 0.194 nan 8.150 nan 0.000 0.528 415 A N 0.268 123.087 122.820 -0.001 0.000 2.235 415 A HA 0.219 4.534 4.320 -0.008 0.000 0.208 415 A C 1.917 179.501 177.584 0.001 0.000 1.172 415 A CA 2.085 54.120 52.037 -0.004 0.000 0.786 415 A CB -0.620 18.378 19.000 -0.002 0.000 0.804 415 A HN 0.721 nan 8.150 nan 0.000 0.479 416 T N -5.066 109.493 114.554 0.009 0.000 3.221 416 T HA 0.386 4.731 4.350 -0.008 0.000 0.250 416 T C 2.045 176.743 174.700 -0.003 0.000 0.988 416 T CA 1.367 63.471 62.100 0.008 0.000 1.163 416 T CB -0.881 68.000 68.868 0.022 0.000 1.098 416 T HN 0.776 nan 8.240 nan 0.000 0.422 417 A N 2.288 125.112 122.820 0.008 0.000 1.888 417 A HA 0.139 4.455 4.320 -0.008 0.000 0.249 417 A C 2.325 179.866 177.584 -0.072 0.000 2.120 417 A CA 3.538 55.559 52.037 -0.026 0.000 0.772 417 A CB -1.757 17.231 19.000 -0.021 0.000 0.844 417 A HN 2.094 nan 8.150 nan 0.000 0.525 418 G N -2.145 106.616 108.800 -0.065 0.000 2.826 418 G HA2 -0.089 3.866 3.960 -0.008 0.000 0.233 418 G HA3 -0.089 3.866 3.960 -0.008 0.000 0.233 418 G C -0.386 174.465 174.900 -0.082 0.000 1.296 418 G CA 0.183 45.244 45.100 -0.066 0.000 1.001 418 G HN 1.158 nan 8.290 nan 0.000 0.576 419 N N 0.901 119.549 118.700 -0.086 0.000 2.242 419 N HA 0.622 5.357 4.740 -0.008 0.000 0.292 419 N C 0.085 175.538 175.510 -0.095 0.000 1.125 419 N CA 0.126 53.127 53.050 -0.082 0.000 0.783 419 N CB 1.988 40.441 38.487 -0.056 0.000 1.558 419 N HN 1.063 nan 8.380 nan 0.000 0.472 420 G N -0.177 108.568 108.800 -0.091 0.000 3.016 420 G HA2 0.161 4.116 3.960 -0.008 0.000 0.270 420 G HA3 0.161 4.116 3.960 -0.008 0.000 0.270 420 G C -0.594 174.275 174.900 -0.052 0.000 1.352 420 G CA -0.436 44.614 45.100 -0.084 0.000 1.060 420 G HN 0.497 nan 8.290 nan 0.000 0.538 421 N N 0.143 118.819 118.700 -0.041 0.000 2.415 421 N HA 0.051 4.787 4.740 -0.008 0.000 0.250 421 N C 0.618 176.115 175.510 -0.021 0.000 1.127 421 N CA -0.092 52.942 53.050 -0.026 0.000 0.945 421 N CB 1.631 40.107 38.487 -0.018 0.000 1.196 421 N HN 0.485 nan 8.380 nan 0.000 0.499 422 E N 3.054 123.241 120.200 -0.021 0.000 2.150 422 E HA 0.026 4.371 4.350 -0.008 0.000 0.193 422 E C 1.228 177.822 176.600 -0.011 0.000 0.985 422 E CA 0.890 57.280 56.400 -0.017 0.000 0.814 422 E CB 0.037 29.726 29.700 -0.018 0.000 0.752 422 E HN 0.702 nan 8.360 nan 0.000 0.466 423 A N -0.955 121.860 122.820 -0.009 0.000 2.276 423 A HA 0.426 4.741 4.320 -0.008 0.000 0.212 423 A C 1.499 179.082 177.584 -0.002 0.000 1.230 423 A CA 0.991 53.025 52.037 -0.005 0.000 0.844 423 A CB -0.077 18.920 19.000 -0.004 0.000 0.860 423 A HN 0.263 nan 8.150 nan 0.000 0.486 424 A N -0.986 121.832 122.820 -0.002 0.000 1.817 424 A HA 0.310 4.626 4.320 -0.008 0.000 0.204 424 A C 1.485 179.070 177.584 0.002 0.000 1.741 424 A CA 0.442 52.480 52.037 0.002 0.000 1.196 424 A CB -0.309 18.693 19.000 0.003 0.000 1.211 424 A HN 0.235 nan 8.150 nan 0.000 0.450 425 I N 0.914 121.482 120.570 -0.004 0.000 2.399 425 I HA -0.259 3.906 4.170 -0.008 0.000 0.254 425 I C 1.921 178.036 176.117 -0.002 0.000 1.146 425 I CA 1.551 62.847 61.300 -0.006 0.000 1.412 425 I CB -0.009 37.984 38.000 -0.012 0.000 1.076 425 I HN 0.431 nan 8.210 nan 0.000 0.432 426 E N 0.043 120.243 120.200 -0.001 0.000 2.472 426 E HA 0.105 4.451 4.350 -0.008 0.000 0.196 426 E C 2.002 178.607 176.600 0.007 0.000 1.033 426 E CA 0.412 56.814 56.400 0.003 0.000 0.886 426 E CB 0.271 29.972 29.700 0.001 0.000 0.944 426 E HN 0.438 nan 8.360 nan 0.000 0.492 427 A N 0.927 123.752 122.820 0.009 0.000 2.119 427 A HA -0.119 4.196 4.320 -0.008 0.000 0.216 427 A C 2.017 179.613 177.584 0.019 0.000 1.152 427 A CA 0.655 52.700 52.037 0.012 0.000 0.708 427 A CB 0.025 19.032 19.000 0.012 0.000 0.805 427 A HN 0.076 nan 8.150 nan 0.000 0.460 428 Q N -0.286 119.528 119.800 0.023 0.000 1.946 428 Q HA -0.089 4.246 4.340 -0.008 0.000 0.199 428 Q C 2.535 178.554 176.000 0.031 0.000 0.979 428 Q CA 1.538 57.363 55.803 0.037 0.000 0.834 428 Q CB -0.801 27.960 28.738 0.038 0.000 0.899 428 Q HN 0.580 nan 8.270 nan 0.000 0.431 429 A N 1.492 124.325 122.820 0.022 0.000 1.986 429 A HA -0.106 4.209 4.320 -0.008 0.000 0.220 429 A C 1.518 179.111 177.584 0.014 0.000 1.171 429 A CA 1.402 53.449 52.037 0.016 0.000 0.640 429 A CB -0.667 18.339 19.000 0.010 0.000 0.811 429 A HN 0.339 nan 8.150 nan 0.000 0.451 430 A N -0.793 122.036 122.820 0.014 0.000 2.981 430 A HA 0.474 4.789 4.320 -0.008 0.000 0.280 430 A C 1.210 178.801 177.584 0.012 0.000 1.797 430 A CA 0.800 52.843 52.037 0.011 0.000 1.456 430 A CB -1.280 17.727 19.000 0.010 0.000 1.057 430 A HN 1.585 nan 8.150 nan 0.000 0.602 431 G N -0.510 108.296 108.800 0.011 0.000 4.205 431 G HA2 -0.154 3.802 3.960 -0.008 0.000 0.200 431 G HA3 -0.154 3.802 3.960 -0.008 0.000 0.200 431 G C 1.000 175.904 174.900 0.007 0.000 1.190 431 G CA 0.325 45.431 45.100 0.009 0.000 0.861 431 G HN 0.602 nan 8.290 nan 0.000 0.326 432 V N 2.073 121.993 119.914 0.010 0.000 2.311 432 V HA -0.313 3.803 4.120 -0.008 0.000 0.256 432 V C 2.512 178.603 176.094 -0.006 0.000 1.077 432 V CA 3.208 65.511 62.300 0.005 0.000 1.067 432 V CB -0.486 31.341 31.823 0.006 0.000 0.659 432 V HN 0.711 nan 8.190 nan 0.000 0.451 433 E N 0.023 120.220 120.200 -0.006 0.000 2.028 433 E HA -0.307 4.038 4.350 -0.008 0.000 0.190 433 E C 2.271 178.865 176.600 -0.011 0.000 0.984 433 E CA 1.359 57.753 56.400 -0.010 0.000 0.800 433 E CB -0.236 29.462 29.700 -0.004 0.000 0.758 433 E HN 0.575 nan 8.360 nan 0.000 0.448 434 Q N 0.922 120.719 119.800 -0.006 0.000 2.268 434 Q HA -0.212 4.123 4.340 -0.008 0.000 0.210 434 Q C 2.119 178.113 176.000 -0.011 0.000 0.988 434 Q CA 1.794 57.593 55.803 -0.007 0.000 0.883 434 Q CB -0.224 28.512 28.738 -0.003 0.000 0.911 434 Q HN 0.126 nan 8.270 nan 0.000 0.430 435 R N -0.152 120.341 120.500 -0.011 0.000 2.100 435 R HA -0.044 4.291 4.340 -0.008 0.000 0.220 435 R C 2.027 178.312 176.300 -0.024 0.000 1.091 435 R CA 1.033 57.125 56.100 -0.014 0.000 0.986 435 R CB -0.615 29.682 30.300 -0.006 0.000 0.888 435 R HN 0.468 nan 8.270 nan 0.000 0.444 436 L N 1.734 122.940 121.223 -0.027 0.000 2.042 436 L HA -0.122 4.214 4.340 -0.008 0.000 0.210 436 L C 1.732 178.576 176.870 -0.042 0.000 1.076 436 L CA 1.955 56.772 54.840 -0.039 0.000 0.749 436 L CB -0.369 41.667 42.059 -0.038 0.000 0.893 436 L HN 0.017 nan 8.230 nan 0.000 0.432 437 K N -0.732 119.649 120.400 -0.032 0.000 2.217 437 K HA -0.097 4.218 4.320 -0.008 0.000 0.202 437 K C 1.514 178.092 176.600 -0.036 0.000 1.051 437 K CA 1.192 57.460 56.287 -0.032 0.000 0.952 437 K CB -0.161 32.326 32.500 -0.022 0.000 0.736 437 K HN 0.307 nan 8.250 nan 0.000 0.453 438 D N 0.489 120.869 120.400 -0.033 0.000 2.347 438 D HA -0.072 4.563 4.640 -0.008 0.000 0.215 438 D C 1.339 177.609 176.300 -0.050 0.000 0.976 438 D CA 0.385 54.364 54.000 -0.034 0.000 0.884 438 D CB 0.252 41.038 40.800 -0.024 0.000 0.915 438 D HN -0.008 nan 8.370 nan 0.000 0.526 439 L N -0.634 120.552 121.223 -0.061 0.000 2.253 439 L HA 0.104 4.439 4.340 -0.008 0.000 0.205 439 L C 1.765 178.576 176.870 -0.100 0.000 1.078 439 L CA 0.978 55.763 54.840 -0.092 0.000 0.805 439 L CB -0.279 41.725 42.059 -0.092 0.000 0.963 439 L HN -0.133 nan 8.230 nan 0.000 0.459 440 V N 0.631 120.499 119.914 -0.077 0.000 2.249 440 V HA -0.154 3.961 4.120 -0.008 0.000 0.239 440 V C 1.772 177.828 176.094 -0.063 0.000 1.038 440 V CA 1.700 63.957 62.300 -0.072 0.000 1.005 440 V CB -0.722 31.068 31.823 -0.055 0.000 0.646 440 V HN 0.475 nan 8.190 nan 0.000 0.455 441 N N 0.756 119.427 118.700 -0.048 0.000 2.626 441 N HA -0.092 4.643 4.740 -0.008 0.000 0.193 441 N C 0.847 176.331 175.510 -0.044 0.000 1.213 441 N CA 0.310 53.337 53.050 -0.040 0.000 0.914 441 N CB -0.325 38.144 38.487 -0.030 0.000 0.994 441 N HN 0.596 nan 8.380 nan 0.000 0.447 442 Q N 1.528 121.293 119.800 -0.058 0.000 2.361 442 Q HA 0.085 4.420 4.340 -0.008 0.000 0.250 442 Q C -1.305 174.654 176.000 -0.068 0.000 1.023 442 Q CA -0.302 55.463 55.803 -0.064 0.000 0.915 442 Q CB 0.367 29.053 28.738 -0.086 0.000 1.238 442 Q HN 0.066 nan 8.270 nan 0.000 0.451 443 D N 3.022 123.392 120.400 -0.051 0.000 2.278 443 D HA 0.522 5.158 4.640 -0.008 0.000 0.245 443 D C -0.050 176.227 176.300 -0.039 0.000 1.052 443 D CA -0.379 53.594 54.000 -0.046 0.000 0.834 443 D CB 1.361 42.141 40.800 -0.033 0.000 1.194 443 D HN 0.520 nan 8.370 nan 0.000 0.481 444 G N 1.746 110.523 108.800 -0.039 0.000 2.542 444 G HA2 0.517 4.472 3.960 -0.008 0.000 0.208 444 G HA3 0.517 4.472 3.960 -0.008 0.000 0.208 444 G C 0.690 175.581 174.900 -0.014 0.000 1.976 444 G CA 0.145 45.229 45.100 -0.027 0.000 0.722 444 G HN 0.969 nan 8.290 nan 0.000 0.798 445 G N -0.831 107.964 108.800 -0.008 0.000 3.942 445 G HA2 0.046 4.001 3.960 -0.008 0.000 0.219 445 G HA3 0.046 4.001 3.960 -0.008 0.000 0.219 445 G C 0.180 175.089 174.900 0.015 0.000 0.869 445 G CA 0.204 45.305 45.100 0.002 0.000 0.851 445 G HN 0.490 nan 8.290 nan 0.000 0.560 446 E N 0.337 120.549 120.200 0.021 0.000 2.622 446 E HA 0.441 4.786 4.350 -0.008 0.000 0.255 446 E C -0.550 176.091 176.600 0.068 0.000 1.313 446 E CA -0.593 55.832 56.400 0.040 0.000 1.011 446 E CB 0.697 30.423 29.700 0.044 0.000 1.173 446 E HN 0.120 nan 8.360 nan 0.000 0.601 447 N N 1.110 119.870 118.700 0.100 0.000 2.342 447 N HA 0.033 4.768 4.740 -0.008 0.000 0.293 447 N C 0.182 175.841 175.510 0.247 0.000 1.026 447 N CA -0.688 52.473 53.050 0.185 0.000 0.857 447 N CB 0.752 39.325 38.487 0.143 0.000 1.256 447 N HN 0.661 nan 8.380 nan 0.000 0.484 448 W N 3.816 125.111 121.300 -0.008 0.000 2.480 448 W HA 0.022 4.678 4.660 -0.008 0.000 0.257 448 W C 0.669 177.191 176.519 0.005 0.000 1.235 448 W CA 0.800 58.155 57.345 0.017 0.000 1.218 448 W CB -1.680 27.789 29.460 0.016 0.000 1.131 448 W HN 0.527 nan 8.180 nan 0.000 0.606 449 A N 1.845 124.457 122.820 -0.347 0.000 1.861 449 A HA -0.084 4.231 4.320 -0.008 0.000 0.212 449 A C 2.031 179.481 177.584 -0.223 0.000 1.199 449 A CA 1.106 52.847 52.037 -0.493 0.000 0.613 449 A CB -0.580 18.184 19.000 -0.394 0.000 0.846 449 A HN -0.016 nan 8.150 nan 0.000 0.446 450 K N 0.271 120.614 120.400 -0.096 0.000 2.442 450 K HA 0.006 4.321 4.320 -0.008 0.000 0.199 450 K C 1.445 178.015 176.600 -0.050 0.000 1.044 450 K CA 0.855 57.108 56.287 -0.057 0.000 0.941 450 K CB -0.545 31.947 32.500 -0.013 0.000 0.759 450 K HN 0.658 nan 8.250 nan 0.000 0.472 451 I N -0.241 120.301 120.570 -0.047 0.000 2.556 451 I HA -0.070 4.095 4.170 -0.008 0.000 0.251 451 I C 2.666 178.736 176.117 -0.077 0.000 1.105 451 I CA 0.255 61.545 61.300 -0.016 0.000 1.436 451 I CB -0.149 37.895 38.000 0.073 0.000 1.139 451 I HN 0.073 nan 8.210 nan 0.000 0.438 452 R N 1.509 121.912 120.500 -0.162 0.000 2.080 452 R HA -0.190 4.145 4.340 -0.008 0.000 0.236 452 R C 0.949 177.136 176.300 -0.188 0.000 1.137 452 R CA 1.934 57.899 56.100 -0.226 0.000 0.943 452 R CB -0.270 29.778 30.300 -0.420 0.000 0.846 452 R HN 0.266 nan 8.270 nan 0.000 0.431 453 D N 0.259 120.548 120.400 -0.186 0.000 2.370 453 D HA -0.065 4.570 4.640 -0.008 0.000 0.256 453 D C 0.472 176.705 176.300 -0.111 0.000 1.197 453 D CA 0.789 54.700 54.000 -0.148 0.000 0.922 453 D CB 0.362 41.084 40.800 -0.130 0.000 0.911 453 D HN 0.508 nan 8.370 nan 0.000 0.517 454 E N -1.003 119.137 120.200 -0.101 0.000 3.590 454 E HA 0.077 4.422 4.350 -0.008 0.000 0.223 454 E C 1.641 178.197 176.600 -0.074 0.000 1.195 454 E CA -0.332 56.025 56.400 -0.071 0.000 1.670 454 E CB 0.075 29.749 29.700 -0.043 0.000 1.578 454 E HN -0.054 nan 8.360 nan 0.000 0.763 455 M N 1.270 120.824 119.600 -0.077 0.000 2.147 455 M HA -0.231 4.245 4.480 -0.008 0.000 0.253 455 M C 1.942 178.174 176.300 -0.113 0.000 1.075 455 M CA 2.608 57.855 55.300 -0.088 0.000 1.085 455 M CB -0.414 32.125 32.600 -0.101 0.000 1.305 455 M HN 0.265 nan 8.290 nan 0.000 0.409 456 G N -0.004 108.720 108.800 -0.128 0.000 2.404 456 G HA2 -0.186 3.769 3.960 -0.008 0.000 0.214 456 G HA3 -0.186 3.769 3.960 -0.008 0.000 0.214 456 G C 1.403 176.246 174.900 -0.095 0.000 1.189 456 G CA 0.545 45.567 45.100 -0.129 0.000 0.789 456 G HN 0.515 nan 8.290 nan 0.000 0.533 457 L N 0.630 121.779 121.223 -0.122 0.000 2.450 457 L HA -0.100 4.236 4.340 -0.008 0.000 0.225 457 L C 2.760 179.610 176.870 -0.034 0.000 1.145 457 L CA 1.124 55.898 54.840 -0.109 0.000 0.801 457 L CB -0.068 41.929 42.059 -0.104 0.000 0.924 457 L HN 0.356 nan 8.230 nan 0.000 0.447 458 A N -1.676 121.130 122.820 -0.023 0.000 1.993 458 A HA -0.003 4.313 4.320 -0.008 0.000 0.207 458 A C 2.057 179.665 177.584 0.040 0.000 1.224 458 A CA -0.002 52.041 52.037 0.011 0.000 0.749 458 A CB -0.100 18.897 19.000 -0.004 0.000 0.884 458 A HN 0.237 nan 8.150 nan 0.000 0.467 459 M N 0.170 119.765 119.600 -0.008 0.000 2.267 459 M HA -0.141 4.334 4.480 -0.008 0.000 0.263 459 M C 1.854 178.355 176.300 0.335 0.000 1.063 459 M CA 1.810 57.093 55.300 -0.028 0.000 1.090 459 M CB -0.689 31.613 32.600 -0.497 0.000 1.392 459 M HN 0.658 nan 8.290 nan 0.000 0.422 460 E N 0.795 121.187 120.200 0.320 0.000 2.004 460 E HA -0.175 4.170 4.350 -0.008 0.000 0.193 460 E C 1.746 178.484 176.600 0.230 0.000 0.985 460 E CA 1.802 58.399 56.400 0.329 0.000 0.832 460 E CB -0.422 29.386 29.700 0.180 0.000 0.787 460 E HN 0.424 nan 8.360 nan 0.000 0.466 461 E N -0.290 120.005 120.200 0.159 0.000 2.136 461 E HA -0.235 4.110 4.350 -0.008 0.000 0.202 461 E C 1.588 178.288 176.600 0.166 0.000 1.019 461 E CA 1.556 58.049 56.400 0.154 0.000 0.819 461 E CB -0.602 29.163 29.700 0.109 0.000 0.739 461 E HN 0.363 nan 8.360 nan 0.000 0.458 462 G N 0.433 109.322 108.800 0.148 0.000 2.632 462 G HA2 -0.241 3.714 3.960 -0.008 0.000 0.183 462 G HA3 -0.241 3.714 3.960 -0.008 0.000 0.183 462 G C 0.047 175.042 174.900 0.157 0.000 1.592 462 G CA 0.319 45.499 45.100 0.134 0.000 0.880 462 G HN 0.431 nan 8.290 nan 0.000 0.399 463 C N 1.884 121.298 119.300 0.190 0.000 2.428 463 C HA 0.642 5.097 4.460 -0.008 0.000 0.362 463 C C 1.210 176.353 174.990 0.255 0.000 1.114 463 C CA -0.088 59.057 59.018 0.212 0.000 1.473 463 C CB -1.715 26.156 27.740 0.218 0.000 2.003 463 C HN 0.661 nan 8.230 nan 0.000 0.526 464 G N 4.731 113.571 108.800 0.068 0.000 3.252 464 G HA2 0.384 4.339 3.960 -0.008 0.000 0.181 464 G HA3 0.384 4.339 3.960 -0.008 0.000 0.181 464 G C 0.876 175.512 174.900 -0.439 0.000 1.187 464 G CA -0.147 44.859 45.100 -0.158 0.000 0.886 464 G HN 0.425 nan 8.290 nan 0.000 0.615 465 I N -1.139 118.986 120.570 -0.742 0.000 2.099 465 I HA -0.017 4.148 4.170 -0.008 0.000 0.239 465 I C 0.559 176.233 176.117 -0.738 0.000 1.066 465 I CA 1.425 62.220 61.300 -0.842 0.000 1.324 465 I CB -1.147 36.307 38.000 -0.909 0.000 1.037 465 I HN 0.183 nan 8.210 nan 0.000 0.401 466 Y N 1.594 121.437 120.300 -0.762 0.000 2.356 466 Y HA 0.525 5.070 4.550 -0.008 0.000 0.334 466 Y C 0.094 175.736 175.900 -0.430 0.000 0.958 466 Y CA -1.042 56.624 58.100 -0.724 0.000 1.196 466 Y CB 1.215 38.950 38.460 -1.208 0.000 1.137 466 Y HN 0.014 nan 8.280 nan 0.000 0.485 467 R N 1.339 121.784 120.500 -0.091 0.000 2.532 467 R HA 0.533 4.868 4.340 -0.008 0.000 0.295 467 R C -0.526 175.741 176.300 -0.054 0.000 0.968 467 R CA -0.640 55.440 56.100 -0.034 0.000 0.916 467 R CB 1.506 31.821 30.300 0.025 0.000 1.124 467 R HN 0.572 nan 8.270 nan 0.000 0.463 468 T N -1.021 113.530 114.554 -0.005 0.000 2.887 468 T HA 0.389 4.735 4.350 -0.008 0.000 0.288 468 T C -2.115 172.590 174.700 0.007 0.000 1.021 468 T CA -2.301 59.791 62.100 -0.015 0.000 1.000 468 T CB 2.121 70.995 68.868 0.011 0.000 1.034 468 T HN 0.184 nan 8.240 nan 0.000 0.467 469 P HA -0.188 nan 4.420 nan 0.000 0.216 469 P C 1.677 178.988 177.300 0.018 0.000 1.157 469 P CA 0.939 64.043 63.100 0.007 0.000 0.880 469 P CB 0.144 31.843 31.700 -0.003 0.000 0.791 470 E N -0.133 120.080 120.200 0.021 0.000 2.035 470 E HA -0.215 4.130 4.350 -0.008 0.000 0.204 470 E C 1.996 178.620 176.600 0.039 0.000 1.025 470 E CA 1.621 58.038 56.400 0.029 0.000 0.835 470 E CB -0.991 28.729 29.700 0.034 0.000 0.764 470 E HN 0.171 nan 8.360 nan 0.000 0.457 471 L N -0.003 121.253 121.223 0.055 0.000 2.017 471 L HA -0.208 4.127 4.340 -0.008 0.000 0.208 471 L C 2.920 179.826 176.870 0.060 0.000 1.073 471 L CA 1.322 56.203 54.840 0.067 0.000 0.745 471 L CB -0.451 41.665 42.059 0.096 0.000 0.894 471 L HN 0.214 nan 8.230 nan 0.000 0.432 472 M N -0.823 118.812 119.600 0.058 0.000 2.146 472 M HA -0.331 4.144 4.480 -0.008 0.000 0.256 472 M C 2.309 178.629 176.300 0.032 0.000 1.075 472 M CA 1.902 57.234 55.300 0.054 0.000 1.082 472 M CB -0.509 32.122 32.600 0.051 0.000 1.355 472 M HN 0.272 nan 8.290 nan 0.000 0.402 473 Q N 1.040 120.853 119.800 0.021 0.000 1.969 473 Q HA -0.115 4.220 4.340 -0.008 0.000 0.198 473 Q C 1.953 177.968 176.000 0.026 0.000 0.978 473 Q CA 1.558 57.367 55.803 0.009 0.000 0.830 473 Q CB -0.388 28.353 28.738 0.006 0.000 0.896 473 Q HN 0.156 nan 8.270 nan 0.000 0.431 474 K N -0.536 119.884 120.400 0.033 0.000 2.304 474 K HA -0.187 4.128 4.320 -0.008 0.000 0.204 474 K C 1.509 178.133 176.600 0.041 0.000 1.044 474 K CA 1.874 58.184 56.287 0.038 0.000 0.932 474 K CB -0.314 32.213 32.500 0.045 0.000 0.735 474 K HN 0.367 nan 8.250 nan 0.000 0.468 475 T N 0.578 115.159 114.554 0.045 0.000 2.953 475 T HA 0.143 4.489 4.350 -0.008 0.000 0.247 475 T C 1.862 176.590 174.700 0.046 0.000 1.029 475 T CA 0.462 62.589 62.100 0.045 0.000 1.144 475 T CB 0.085 68.985 68.868 0.053 0.000 0.870 475 T HN 0.150 nan 8.240 nan 0.000 0.446 476 I N 1.628 122.232 120.570 0.056 0.000 2.530 476 I HA -0.150 4.015 4.170 -0.008 0.000 0.257 476 I C 1.424 177.585 176.117 0.074 0.000 1.179 476 I CA 1.054 62.408 61.300 0.090 0.000 1.440 476 I CB -0.243 37.802 38.000 0.076 0.000 1.087 476 I HN 0.112 nan 8.210 nan 0.000 0.440 477 D N 0.392 120.821 120.400 0.049 0.000 2.352 477 D HA -0.088 4.547 4.640 -0.008 0.000 0.232 477 D C 1.774 178.096 176.300 0.038 0.000 1.055 477 D CA 0.688 54.713 54.000 0.042 0.000 0.891 477 D CB 0.257 41.077 40.800 0.033 0.000 0.897 477 D HN 0.222 nan 8.370 nan 0.000 0.529 478 K N -0.354 120.068 120.400 0.037 0.000 2.353 478 K HA 0.211 4.526 4.320 -0.008 0.000 0.206 478 K C 1.835 178.449 176.600 0.023 0.000 1.191 478 K CA 0.066 56.369 56.287 0.026 0.000 0.897 478 K CB -0.228 32.283 32.500 0.018 0.000 1.283 478 K HN -0.079 nan 8.250 nan 0.000 0.477 479 L N 1.004 122.240 121.223 0.021 0.000 1.971 479 L HA -0.193 4.142 4.340 -0.008 0.000 0.215 479 L C 2.400 179.281 176.870 0.017 0.000 1.072 479 L CA 1.848 56.691 54.840 0.006 0.000 0.758 479 L CB -0.722 41.340 42.059 0.004 0.000 0.889 479 L HN 0.338 nan 8.230 nan 0.000 0.433 480 A N -0.829 122.015 122.820 0.041 0.000 1.978 480 A HA -0.264 4.052 4.320 -0.008 0.000 0.220 480 A C 2.281 179.889 177.584 0.040 0.000 1.170 480 A CA 1.934 53.997 52.037 0.043 0.000 0.636 480 A CB -0.538 18.503 19.000 0.068 0.000 0.810 480 A HN 0.529 nan 8.150 nan 0.000 0.448 481 E N -0.149 120.075 120.200 0.039 0.000 2.216 481 E HA -0.085 4.261 4.350 -0.008 0.000 0.192 481 E C 1.839 178.465 176.600 0.044 0.000 0.988 481 E CA 0.586 57.009 56.400 0.039 0.000 0.834 481 E CB -0.113 29.608 29.700 0.034 0.000 0.772 481 E HN 0.678 nan 8.360 nan 0.000 0.479 482 L N 0.658 121.905 121.223 0.040 0.000 1.982 482 L HA -0.187 4.148 4.340 -0.008 0.000 0.206 482 L C 2.835 179.758 176.870 0.087 0.000 1.078 482 L CA 1.045 55.917 54.840 0.053 0.000 0.749 482 L CB -0.819 41.254 42.059 0.023 0.000 0.894 482 L HN 0.071 nan 8.230 nan 0.000 0.436 483 Q N 0.231 120.068 119.800 0.062 0.000 2.207 483 Q HA -0.349 3.987 4.340 -0.008 0.000 0.215 483 Q C 1.964 178.042 176.000 0.130 0.000 1.006 483 Q CA 2.139 57.997 55.803 0.092 0.000 0.903 483 Q CB -0.496 28.265 28.738 0.037 0.000 0.947 483 Q HN 0.533 nan 8.270 nan 0.000 0.414 484 E N 0.037 120.288 120.200 0.085 0.000 2.515 484 E HA -0.135 4.210 4.350 -0.008 0.000 0.201 484 E C 1.206 177.851 176.600 0.075 0.000 1.071 484 E CA 0.318 56.761 56.400 0.071 0.000 0.880 484 E CB 0.230 29.961 29.700 0.051 0.000 0.828 484 E HN 0.256 nan 8.360 nan 0.000 0.540 485 R N -1.636 118.927 120.500 0.105 0.000 2.435 485 R HA 0.076 4.412 4.340 -0.008 0.000 0.221 485 R C 1.631 178.008 176.300 0.128 0.000 0.885 485 R CA -0.116 56.041 56.100 0.095 0.000 1.018 485 R CB -0.052 30.300 30.300 0.086 0.000 1.259 485 R HN 0.062 nan 8.270 nan 0.000 0.597 486 F N 2.348 122.315 119.950 0.028 0.000 2.293 486 F HA -0.001 4.521 4.527 -0.008 0.000 0.300 486 F C 1.446 177.262 175.800 0.027 0.000 1.086 486 F CA 1.185 59.207 58.000 0.037 0.000 1.375 486 F CB 0.340 39.361 39.000 0.036 0.000 1.045 486 F HN -0.295 nan 8.300 nan 0.000 0.516 487 K N 0.796 121.219 120.400 0.039 0.000 2.684 487 K HA 0.223 4.539 4.320 -0.008 0.000 0.215 487 K C -0.051 176.517 176.600 -0.053 0.000 1.073 487 K CA 0.145 56.407 56.287 -0.042 0.000 1.197 487 K CB -0.263 32.268 32.500 0.051 0.000 0.955 487 K HN 0.233 nan 8.250 nan 0.000 0.473 488 R N -0.650 119.809 120.500 -0.069 0.000 2.548 488 R HA 0.216 4.551 4.340 -0.008 0.000 0.449 488 R C -1.103 175.166 176.300 -0.051 0.000 0.928 488 R CA -0.226 55.848 56.100 -0.043 0.000 1.107 488 R CB 1.122 31.420 30.300 -0.004 0.000 1.557 488 R HN -0.097 nan 8.270 nan 0.000 0.584 489 V N 1.228 121.082 119.914 -0.100 0.000 2.680 489 V HA 0.437 4.552 4.120 -0.008 0.000 0.309 489 V C -0.186 175.845 176.094 -0.105 0.000 1.052 489 V CA -1.063 61.190 62.300 -0.077 0.000 0.908 489 V CB 2.358 34.149 31.823 -0.054 0.000 1.001 489 V HN 0.098 nan 8.190 nan 0.000 0.431 490 R N 3.355 123.812 120.500 -0.072 0.000 2.459 490 R HA 0.533 4.869 4.340 -0.008 0.000 0.281 490 R C -0.798 175.438 176.300 -0.107 0.000 1.050 490 R CA -0.247 55.805 56.100 -0.081 0.000 1.055 490 R CB 0.630 30.899 30.300 -0.051 0.000 1.045 490 R HN 0.685 nan 8.270 nan 0.000 0.495 491 I N 4.591 125.089 120.570 -0.120 0.000 2.313 491 I HA 0.126 4.291 4.170 -0.008 0.000 0.286 491 I C 0.640 176.693 176.117 -0.107 0.000 1.091 491 I CA -0.304 60.906 61.300 -0.149 0.000 1.216 491 I CB 1.388 39.291 38.000 -0.162 0.000 1.434 491 I HN 0.775 nan 8.210 nan 0.000 0.487 492 T N 1.920 116.418 114.554 -0.093 0.000 2.869 492 T HA -0.137 4.208 4.350 -0.008 0.000 0.270 492 T C 0.766 175.434 174.700 -0.053 0.000 1.082 492 T CA 1.167 63.233 62.100 -0.057 0.000 1.123 492 T CB -0.298 68.549 68.868 -0.036 0.000 0.856 492 T HN 0.472 nan 8.240 nan 0.000 0.499 493 D N 0.903 121.259 120.400 -0.074 0.000 2.225 493 D HA 0.301 4.936 4.640 -0.008 0.000 0.249 493 D C 0.771 177.039 176.300 -0.053 0.000 1.052 493 D CA 0.211 54.177 54.000 -0.055 0.000 0.909 493 D CB 1.575 42.336 40.800 -0.066 0.000 1.186 493 D HN 0.247 nan 8.370 nan 0.000 0.431 494 T N -2.097 112.437 114.554 -0.033 0.000 3.253 494 T HA 0.127 4.472 4.350 -0.008 0.000 0.299 494 T C 0.705 175.396 174.700 -0.016 0.000 0.927 494 T CA -0.485 61.598 62.100 -0.029 0.000 0.926 494 T CB 0.089 68.942 68.868 -0.025 0.000 1.183 494 T HN 0.176 nan 8.240 nan 0.000 0.557 495 S N 0.665 116.361 115.700 -0.008 0.000 2.641 495 S HA 0.511 4.976 4.470 -0.008 0.000 0.261 495 S C 0.891 175.494 174.600 0.006 0.000 1.257 495 S CA -0.208 57.995 58.200 0.005 0.000 0.983 495 S CB 0.814 64.025 63.200 0.017 0.000 0.990 495 S HN 0.311 nan 8.310 nan 0.000 0.572 496 S N -0.154 115.556 115.700 0.016 0.000 2.733 496 S HA 0.194 4.660 4.470 -0.008 0.000 0.247 496 S C -0.645 173.975 174.600 0.034 0.000 1.043 496 S CA -0.406 57.804 58.200 0.017 0.000 1.066 496 S CB 0.796 64.004 63.200 0.014 0.000 1.045 496 S HN 0.545 nan 8.310 nan 0.000 0.586 497 V N 2.504 122.450 119.914 0.054 0.000 2.267 497 V HA 0.404 4.519 4.120 -0.008 0.000 0.254 497 V C 0.011 176.220 176.094 0.192 0.000 1.144 497 V CA -0.622 61.733 62.300 0.092 0.000 0.992 497 V CB -1.318 30.549 31.823 0.072 0.000 1.199 497 V HN 0.526 nan 8.190 nan 0.000 0.493 498 F N 3.200 123.138 119.950 -0.020 0.000 2.807 498 F HA -0.233 4.289 4.527 -0.008 0.000 0.297 498 F C 0.493 176.285 175.800 -0.013 0.000 1.024 498 F CA 0.560 58.547 58.000 -0.022 0.000 1.008 498 F CB -0.541 38.445 39.000 -0.023 0.000 1.142 498 F HN 0.722 nan 8.300 nan 0.000 0.829 499 N N 1.474 120.164 118.700 -0.016 0.000 2.555 499 N HA 0.220 4.955 4.740 -0.008 0.000 0.244 499 N C 1.234 176.691 175.510 -0.088 0.000 1.114 499 N CA 0.466 53.506 53.050 -0.016 0.000 0.963 499 N CB 0.820 39.293 38.487 -0.024 0.000 1.276 499 N HN 0.380 nan 8.380 nan 0.000 0.510 500 T N -0.305 114.224 114.554 -0.042 0.000 2.737 500 T HA -0.172 4.173 4.350 -0.008 0.000 0.265 500 T C 1.071 175.715 174.700 -0.094 0.000 1.038 500 T CA 0.813 62.883 62.100 -0.050 0.000 1.144 500 T CB -0.381 68.544 68.868 0.096 0.000 0.866 500 T HN 0.365 nan 8.240 nan 0.000 0.434 501 D N 1.099 121.413 120.400 -0.144 0.000 2.886 501 D HA 0.081 4.716 4.640 -0.008 0.000 0.226 501 D C 0.682 176.775 176.300 -0.346 0.000 1.117 501 D CA 0.203 53.991 54.000 -0.354 0.000 1.121 501 D CB -0.544 40.102 40.800 -0.257 0.000 1.186 501 D HN 0.649 nan 8.370 nan 0.000 0.440 502 L N -1.113 119.957 121.223 -0.255 0.000 1.238 502 L HA 0.005 4.340 4.340 -0.008 0.000 0.075 502 L C 1.027 177.913 176.870 0.025 0.000 1.460 502 L CA -0.205 54.552 54.840 -0.138 0.000 1.156 502 L CB -0.750 41.248 42.059 -0.102 0.000 2.371 502 L HN -0.066 nan 8.230 nan 0.000 0.453 503 L N 0.386 121.624 121.223 0.024 0.000 2.556 503 L HA -0.199 4.136 4.340 -0.008 0.000 0.230 503 L C 1.502 178.390 176.870 0.031 0.000 1.163 503 L CA 2.223 57.108 54.840 0.075 0.000 0.819 503 L CB -0.218 41.685 42.059 -0.259 0.000 0.939 503 L HN 0.533 nan 8.230 nan 0.000 0.452 504 Y N -2.232 118.056 120.300 -0.019 0.000 2.435 504 Y HA -0.052 4.493 4.550 -0.008 0.000 0.270 504 Y C 2.314 178.337 175.900 0.205 0.000 1.093 504 Y CA -0.042 58.105 58.100 0.079 0.000 1.226 504 Y CB 0.671 39.211 38.460 0.134 0.000 1.289 504 Y HN -0.067 nan 8.280 nan 0.000 0.529 505 T N 1.252 115.917 114.554 0.185 0.000 2.929 505 T HA -0.141 4.204 4.350 -0.008 0.000 0.271 505 T C 1.456 176.395 174.700 0.398 0.000 1.085 505 T CA 1.340 63.553 62.100 0.188 0.000 1.125 505 T CB -0.177 68.580 68.868 -0.184 0.000 0.874 505 T HN 0.134 nan 8.240 nan 0.000 0.494 506 I N 1.487 122.232 120.570 0.292 0.000 2.163 506 I HA -0.070 4.095 4.170 -0.008 0.000 0.240 506 I C 2.389 178.592 176.117 0.143 0.000 1.081 506 I CA 1.124 62.530 61.300 0.176 0.000 1.353 506 I CB -0.593 37.395 38.000 -0.020 0.000 1.054 506 I HN 0.271 nan 8.210 nan 0.000 0.407 507 E N 0.024 120.405 120.200 0.301 0.000 2.097 507 E HA -0.282 4.063 4.350 -0.008 0.000 0.196 507 E C 2.173 178.912 176.600 0.232 0.000 1.000 507 E CA 1.353 57.936 56.400 0.304 0.000 0.804 507 E CB -0.530 29.439 29.700 0.448 0.000 0.740 507 E HN 0.299 nan 8.360 nan 0.000 0.454 508 L N 1.232 122.645 121.223 0.317 0.000 2.051 508 L HA -0.158 4.177 4.340 -0.008 0.000 0.214 508 L C 2.030 178.740 176.870 -0.267 0.000 1.076 508 L CA 2.525 57.455 54.840 0.150 0.000 0.758 508 L CB -1.122 41.202 42.059 0.441 0.000 0.890 508 L HN 0.081 nan 8.230 nan 0.000 0.433 509 G N -1.881 106.573 108.800 -0.576 0.000 2.456 509 G HA2 -0.225 3.731 3.960 -0.008 0.000 0.213 509 G HA3 -0.225 3.731 3.960 -0.008 0.000 0.213 509 G C 1.407 176.119 174.900 -0.314 0.000 1.215 509 G CA 0.646 45.073 45.100 -1.120 0.000 0.805 509 G HN 0.666 nan 8.290 nan 0.000 0.537 510 H N 0.414 119.397 119.070 -0.145 0.000 2.561 510 H HA -0.059 4.492 4.556 -0.008 0.000 0.289 510 H C 2.438 177.708 175.328 -0.097 0.000 1.054 510 H CA 0.007 56.008 56.048 -0.078 0.000 1.210 510 H CB 0.280 30.042 29.762 0.000 0.000 1.353 510 H HN 0.429 nan 8.280 nan 0.000 0.601 511 G N -0.192 108.596 108.800 -0.020 0.000 2.645 511 G HA2 -0.043 3.912 3.960 -0.008 0.000 0.207 511 G HA3 -0.043 3.912 3.960 -0.008 0.000 0.207 511 G C 1.503 176.325 174.900 -0.130 0.000 1.145 511 G CA -0.219 44.844 45.100 -0.062 0.000 0.831 511 G HN 0.170 nan 8.290 nan 0.000 0.563 512 L N 1.093 122.192 121.223 -0.206 0.000 2.043 512 L HA -0.162 4.174 4.340 -0.008 0.000 0.212 512 L C 2.737 179.510 176.870 -0.161 0.000 1.075 512 L CA 1.103 55.819 54.840 -0.208 0.000 0.752 512 L CB -0.325 41.552 42.059 -0.303 0.000 0.891 512 L HN 0.134 nan 8.230 nan 0.000 0.432 513 N N -0.368 118.241 118.700 -0.153 0.000 2.069 513 N HA -0.153 4.582 4.740 -0.008 0.000 0.191 513 N C 1.751 177.195 175.510 -0.111 0.000 1.031 513 N CA 1.455 54.437 53.050 -0.114 0.000 0.852 513 N CB -0.329 38.107 38.487 -0.084 0.000 1.018 513 N HN 0.145 nan 8.380 nan 0.000 0.423 514 V N 1.355 121.208 119.914 -0.102 0.000 3.078 514 V HA -0.097 4.018 4.120 -0.008 0.000 0.265 514 V C 2.164 178.194 176.094 -0.106 0.000 1.122 514 V CA 1.300 63.542 62.300 -0.096 0.000 1.141 514 V CB -0.733 31.041 31.823 -0.082 0.000 0.735 514 V HN 0.272 nan 8.190 nan 0.000 0.498 515 A N 0.167 122.913 122.820 -0.122 0.000 1.861 515 A HA -0.109 4.206 4.320 -0.008 0.000 0.212 515 A C 2.150 179.674 177.584 -0.101 0.000 1.199 515 A CA 1.151 53.109 52.037 -0.132 0.000 0.613 515 A CB -0.313 18.600 19.000 -0.144 0.000 0.846 515 A HN 0.538 nan 8.150 nan 0.000 0.446 516 E N -0.622 119.511 120.200 -0.113 0.000 2.204 516 E HA -0.137 4.208 4.350 -0.008 0.000 0.194 516 E C 1.621 178.106 176.600 -0.191 0.000 0.989 516 E CA 1.032 57.345 56.400 -0.145 0.000 0.824 516 E CB -0.332 29.233 29.700 -0.224 0.000 0.756 516 E HN 0.647 nan 8.360 nan 0.000 0.477 517 C N 0.689 119.905 119.300 -0.141 0.000 2.562 517 C HA 0.120 4.575 4.460 -0.008 0.000 0.266 517 C C 2.236 177.210 174.990 -0.027 0.000 1.382 517 C CA -0.027 58.934 59.018 -0.096 0.000 1.742 517 C CB -0.623 27.064 27.740 -0.089 0.000 1.812 517 C HN 0.449 nan 8.230 nan 0.000 0.559 518 M N 0.843 120.429 119.600 -0.025 0.000 2.257 518 M HA 0.033 4.508 4.480 -0.008 0.000 0.260 518 M C 2.625 178.952 176.300 0.046 0.000 1.102 518 M CA 1.683 56.984 55.300 0.003 0.000 1.169 518 M CB -1.327 31.246 32.600 -0.046 0.000 1.323 518 M HN 0.358 nan 8.290 nan 0.000 0.447 519 A N 0.072 122.937 122.820 0.075 0.000 1.834 519 A HA -0.222 4.093 4.320 -0.008 0.000 0.216 519 A C 1.805 179.484 177.584 0.160 0.000 1.203 519 A CA 2.090 54.202 52.037 0.125 0.000 0.621 519 A CB -1.342 17.760 19.000 0.170 0.000 0.841 519 A HN 0.486 nan 8.150 nan 0.000 0.446 520 H N 0.271 119.349 119.070 0.014 0.000 2.296 520 H HA -0.156 4.396 4.556 -0.008 0.000 0.291 520 H C 2.539 177.890 175.328 0.039 0.000 1.074 520 H CA 1.912 57.980 56.048 0.032 0.000 1.176 520 H CB -1.002 28.779 29.762 0.032 0.000 1.357 520 H HN 0.457 nan 8.280 nan 0.000 0.520 521 S N 0.119 115.926 115.700 0.178 0.000 2.426 521 S HA -0.359 4.106 4.470 -0.008 0.000 0.253 521 S C 2.373 177.023 174.600 0.083 0.000 1.104 521 S CA 1.758 60.024 58.200 0.110 0.000 1.158 521 S CB -0.877 62.370 63.200 0.080 0.000 1.043 521 S HN 0.660 nan 8.310 nan 0.000 0.443 522 A N 1.184 123.995 122.820 -0.015 0.000 1.841 522 A HA -0.043 4.272 4.320 -0.008 0.000 0.214 522 A C 2.155 179.701 177.584 -0.064 0.000 1.195 522 A CA 1.992 53.882 52.037 -0.244 0.000 0.611 522 A CB -0.804 17.990 19.000 -0.344 0.000 0.835 522 A HN 0.466 nan 8.150 nan 0.000 0.443 523 M N 0.783 120.397 119.600 0.022 0.000 2.088 523 M HA -0.179 4.296 4.480 -0.008 0.000 0.256 523 M C 2.052 178.402 176.300 0.084 0.000 1.071 523 M CA 2.342 57.674 55.300 0.052 0.000 1.097 523 M CB -0.724 31.867 32.600 -0.016 0.000 1.315 523 M HN 0.379 nan 8.290 nan 0.000 0.406 524 A N -0.071 122.817 122.820 0.113 0.000 2.032 524 A HA -0.166 4.149 4.320 -0.008 0.000 0.221 524 A C 1.714 179.479 177.584 0.301 0.000 1.165 524 A CA 1.385 53.546 52.037 0.206 0.000 0.645 524 A CB -0.871 18.290 19.000 0.268 0.000 0.807 524 A HN 0.622 nan 8.150 nan 0.000 0.453 525 R N 0.635 121.279 120.500 0.240 0.000 2.248 525 R HA 0.240 4.575 4.340 -0.008 0.000 0.328 525 R C -0.573 175.661 176.300 -0.110 0.000 1.067 525 R CA -0.083 56.097 56.100 0.134 0.000 0.924 525 R CB 0.180 30.565 30.300 0.142 0.000 1.013 525 R HN 0.210 nan 8.270 nan 0.000 0.454 526 K N 3.364 123.497 120.400 -0.446 0.000 2.965 526 K HA 0.059 4.375 4.320 -0.008 0.000 0.216 526 K C -0.464 175.770 176.600 -0.610 0.000 1.164 526 K CA -0.211 55.874 56.287 -0.337 0.000 1.153 526 K CB 0.544 32.981 32.500 -0.105 0.000 1.045 526 K HN 0.543 nan 8.250 nan 0.000 0.460 527 E N -0.333 119.446 120.200 -0.701 0.000 2.370 527 E HA 0.404 4.749 4.350 -0.008 0.000 0.259 527 E C -1.086 175.348 176.600 -0.277 0.000 0.947 527 E CA -0.849 55.233 56.400 -0.531 0.000 0.809 527 E CB 1.793 31.112 29.700 -0.635 0.000 1.300 527 E HN -0.137 nan 8.360 nan 0.000 0.419 528 S N 0.364 115.960 115.700 -0.174 0.000 2.571 528 S HA 0.423 4.888 4.470 -0.008 0.000 0.238 528 S C -1.428 173.131 174.600 -0.069 0.000 1.153 528 S CA -0.609 57.483 58.200 -0.181 0.000 1.141 528 S CB 0.408 63.497 63.200 -0.185 0.000 1.133 528 S HN 0.447 nan 8.310 nan 0.000 0.464 529 R N 1.998 122.478 120.500 -0.033 0.000 2.628 529 R HA 0.628 4.963 4.340 -0.008 0.000 0.288 529 R C 0.898 177.216 176.300 0.030 0.000 0.980 529 R CA 0.299 56.443 56.100 0.074 0.000 0.891 529 R CB 1.193 31.631 30.300 0.229 0.000 1.188 529 R HN 0.785 nan 8.270 nan 0.000 0.450 530 G N 2.226 111.073 108.800 0.078 0.000 2.596 530 G HA2 -0.464 3.491 3.960 -0.008 0.000 0.334 530 G HA3 -0.464 3.491 3.960 -0.008 0.000 0.334 530 G C 0.948 175.817 174.900 -0.051 0.000 1.351 530 G CA 0.805 45.945 45.100 0.067 0.000 0.965 530 G HN 0.968 nan 8.290 nan 0.000 0.533 531 A N -1.126 121.683 122.820 -0.018 0.000 2.117 531 A HA -0.120 4.195 4.320 -0.008 0.000 0.224 531 A C 1.363 178.845 177.584 -0.171 0.000 1.167 531 A CA 2.839 54.834 52.037 -0.071 0.000 0.664 531 A CB -0.516 18.523 19.000 0.065 0.000 0.811 531 A HN 1.728 nan 8.150 nan 0.000 0.470 532 H N 0.157 118.954 119.070 -0.455 0.000 2.581 532 H HA 0.540 5.091 4.556 -0.008 0.000 0.308 532 H C -0.744 174.432 175.328 -0.252 0.000 1.040 532 H CA -0.603 55.202 56.048 -0.405 0.000 1.231 532 H CB 0.322 29.727 29.762 -0.595 0.000 1.396 532 H HN 0.252 nan 8.280 nan 0.000 0.467 533 Q N 4.978 124.526 119.800 -0.420 0.000 2.292 533 Q HA 0.369 4.704 4.340 -0.008 0.000 0.270 533 Q C -0.338 175.447 176.000 -0.358 0.000 1.024 533 Q CA -0.746 54.867 55.803 -0.316 0.000 0.768 533 Q CB 2.420 31.105 28.738 -0.089 0.000 1.250 533 Q HN 0.713 nan 8.270 nan 0.000 0.447 534 R N 1.591 121.853 120.500 -0.397 0.000 2.596 534 R HA 0.488 4.823 4.340 -0.008 0.000 0.267 534 R C 1.043 177.207 176.300 -0.227 0.000 1.026 534 R CA -0.519 55.398 56.100 -0.306 0.000 1.087 534 R CB 1.226 31.348 30.300 -0.296 0.000 1.132 534 R HN 0.490 nan 8.270 nan 0.000 0.531 535 L N 0.359 121.463 121.223 -0.198 0.000 2.470 535 L HA 0.045 4.381 4.340 -0.008 0.000 0.219 535 L C 0.230 177.016 176.870 -0.140 0.000 1.071 535 L CA -0.051 54.666 54.840 -0.205 0.000 0.850 535 L CB -0.153 41.778 42.059 -0.213 0.000 1.040 535 L HN 0.715 nan 8.230 nan 0.000 0.475 536 D N 0.635 120.968 120.400 -0.112 0.000 2.390 536 D HA 0.003 4.638 4.640 -0.008 0.000 0.236 536 D C 0.022 176.272 176.300 -0.083 0.000 1.189 536 D CA -0.171 53.780 54.000 -0.082 0.000 0.887 536 D CB 0.402 41.164 40.800 -0.064 0.000 1.198 536 D HN -0.078 nan 8.370 nan 0.000 0.444 537 E N -0.787 119.375 120.200 -0.062 0.000 2.390 537 E HA 0.450 4.795 4.350 -0.008 0.000 0.261 537 E C 1.477 178.047 176.600 -0.050 0.000 1.076 537 E CA 0.054 56.422 56.400 -0.053 0.000 0.905 537 E CB 0.029 29.706 29.700 -0.039 0.000 0.984 537 E HN 0.748 nan 8.360 nan 0.000 0.427 538 G N 0.393 109.167 108.800 -0.044 0.000 2.233 538 G HA2 -0.349 3.606 3.960 -0.008 0.000 0.270 538 G HA3 -0.349 3.606 3.960 -0.008 0.000 0.270 538 G C 0.565 175.435 174.900 -0.051 0.000 1.011 538 G CA 0.605 45.684 45.100 -0.034 0.000 0.762 538 G HN 0.530 nan 8.290 nan 0.000 0.511 539 C N -2.183 117.069 119.300 -0.079 0.000 3.558 539 C HA 0.160 4.615 4.460 -0.008 0.000 0.564 539 C C 2.674 177.588 174.990 -0.127 0.000 1.255 539 C CA 1.292 60.236 59.018 -0.125 0.000 2.589 539 C CB -0.367 27.282 27.740 -0.151 0.000 3.649 539 C HN 0.864 nan 8.230 nan 0.000 0.478 540 T N 0.574 115.058 114.554 -0.117 0.000 3.052 540 T HA -0.165 4.181 4.350 -0.008 0.000 0.270 540 T C 0.233 174.884 174.700 -0.082 0.000 1.181 540 T CA 1.406 63.438 62.100 -0.114 0.000 1.079 540 T CB -0.495 68.309 68.868 -0.106 0.000 0.817 540 T HN 0.689 nan 8.240 nan 0.000 0.592 541 E N 0.313 120.473 120.200 -0.067 0.000 2.249 541 E HA 0.456 4.801 4.350 -0.008 0.000 0.263 541 E C -0.341 176.243 176.600 -0.026 0.000 0.950 541 E CA -1.206 55.171 56.400 -0.038 0.000 0.827 541 E CB 1.424 31.107 29.700 -0.028 0.000 1.220 541 E HN 0.122 nan 8.360 nan 0.000 0.411 542 R N 2.010 122.510 120.500 -0.000 0.000 2.370 542 R HA -0.015 4.320 4.340 -0.008 0.000 0.309 542 R C -0.785 175.531 176.300 0.027 0.000 1.059 542 R CA 0.031 56.148 56.100 0.027 0.000 0.981 542 R CB 0.377 30.706 30.300 0.049 0.000 0.972 542 R HN 0.462 nan 8.270 nan 0.000 0.437 543 D N 3.647 124.079 120.400 0.052 0.000 2.373 543 D HA 0.062 4.697 4.640 -0.008 0.000 0.227 543 D C -0.848 175.507 176.300 0.093 0.000 1.091 543 D CA -0.345 53.702 54.000 0.078 0.000 0.840 543 D CB 1.277 42.156 40.800 0.131 0.000 1.060 543 D HN 0.493 nan 8.370 nan 0.000 0.502 544 D N 3.007 123.432 120.400 0.042 0.000 2.491 544 D HA 0.133 4.768 4.640 -0.008 0.000 0.228 544 D C 0.938 177.245 176.300 0.012 0.000 1.183 544 D CA 0.068 54.076 54.000 0.014 0.000 0.827 544 D CB 0.879 41.645 40.800 -0.055 0.000 0.989 544 D HN 0.198 nan 8.370 nan 0.000 0.494 545 V N -0.506 119.433 119.914 0.041 0.000 3.629 545 V HA 0.051 4.166 4.120 -0.008 0.000 0.194 545 V C 1.475 177.578 176.094 0.014 0.000 1.343 545 V CA 0.032 62.344 62.300 0.019 0.000 1.292 545 V CB -0.048 31.784 31.823 0.015 0.000 1.287 545 V HN -0.011 nan 8.190 nan 0.000 0.554 546 N N 0.361 119.096 118.700 0.059 0.000 2.207 546 N HA 0.029 4.765 4.740 -0.008 0.000 0.182 546 N C 1.232 176.636 175.510 -0.176 0.000 1.020 546 N CA 1.559 54.596 53.050 -0.021 0.000 0.858 546 N CB -0.107 38.459 38.487 0.132 0.000 0.991 546 N HN 0.447 nan 8.380 nan 0.000 0.427 547 F N 0.167 120.120 119.950 0.005 0.000 2.704 547 F HA 0.335 4.857 4.527 -0.008 0.000 0.304 547 F C 0.522 176.366 175.800 0.073 0.000 1.094 547 F CA -0.591 57.435 58.000 0.043 0.000 1.275 547 F CB -0.062 38.990 39.000 0.087 0.000 1.073 547 F HN -0.081 nan 8.300 nan 0.000 0.586 548 L N 4.293 125.627 121.223 0.184 0.000 2.827 548 L HA 0.007 4.343 4.340 -0.008 0.000 0.293 548 L C -0.104 176.800 176.870 0.057 0.000 1.156 548 L CA 0.542 55.456 54.840 0.122 0.000 1.145 548 L CB -1.340 40.766 42.059 0.077 0.000 1.474 548 L HN 0.263 nan 8.230 nan 0.000 0.442 549 K N 2.090 122.528 120.400 0.063 0.000 2.675 549 K HA 0.244 4.559 4.320 -0.008 0.000 0.280 549 K C -1.385 175.241 176.600 0.043 0.000 0.993 549 K CA -0.990 55.296 56.287 -0.001 0.000 0.863 549 K CB 0.377 32.925 32.500 0.080 0.000 1.438 549 K HN 0.119 nan 8.250 nan 0.000 0.389 550 H N 1.957 121.112 119.070 0.142 0.000 3.160 550 H HA 0.098 4.650 4.556 -0.008 0.000 0.257 550 H C -0.205 175.193 175.328 0.118 0.000 1.140 550 H CA 0.120 56.227 56.048 0.098 0.000 1.492 550 H CB 0.205 29.995 29.762 0.047 0.000 1.529 550 H HN 0.492 nan 8.280 nan 0.000 0.490 551 T N 4.861 119.559 114.554 0.240 0.000 2.932 551 T HA 0.252 4.598 4.350 -0.008 0.000 0.312 551 T C 0.925 175.630 174.700 0.008 0.000 1.071 551 T CA -0.144 61.999 62.100 0.071 0.000 1.128 551 T CB 0.475 69.411 68.868 0.114 0.000 0.984 551 T HN 0.358 nan 8.240 nan 0.000 0.549 552 L N 1.520 122.690 121.223 -0.089 0.000 2.438 552 L HA 0.714 5.050 4.340 -0.008 0.000 0.270 552 L C -0.343 176.609 176.870 0.137 0.000 0.972 552 L CA -1.215 53.651 54.840 0.044 0.000 0.831 552 L CB 1.821 44.006 42.059 0.211 0.000 1.273 552 L HN 0.688 nan 8.230 nan 0.000 0.405 553 A N 2.950 125.820 122.820 0.084 0.000 2.343 553 A HA 0.907 5.222 4.320 -0.008 0.000 0.316 553 A C -1.342 176.362 177.584 0.200 0.000 1.104 553 A CA -0.288 51.864 52.037 0.192 0.000 0.768 553 A CB 0.905 19.939 19.000 0.056 0.000 1.213 553 A HN 0.443 nan 8.150 nan 0.000 0.456 554 F N 0.754 120.666 119.950 -0.064 0.000 2.482 554 F HA 0.565 5.087 4.527 -0.008 0.000 0.331 554 F C 0.661 176.425 175.800 -0.060 0.000 1.115 554 F CA -0.900 57.066 58.000 -0.057 0.000 0.955 554 F CB 1.977 40.950 39.000 -0.043 0.000 1.136 554 F HN 0.642 nan 8.300 nan 0.000 0.452 555 R N 3.170 123.727 120.500 0.095 0.000 2.369 555 R HA 0.179 4.514 4.340 -0.008 0.000 0.310 555 R C -0.778 175.541 176.300 0.032 0.000 1.141 555 R CA -0.601 55.514 56.100 0.024 0.000 1.116 555 R CB -0.214 30.066 30.300 -0.033 0.000 1.135 555 R HN 0.602 nan 8.270 nan 0.000 0.529 556 D N 2.906 123.332 120.400 0.042 0.000 2.844 556 D HA -0.180 4.455 4.640 -0.008 0.000 0.217 556 D C 1.030 177.334 176.300 0.008 0.000 1.121 556 D CA 0.942 54.959 54.000 0.029 0.000 0.829 556 D CB 0.711 41.519 40.800 0.014 0.000 1.194 556 D HN 0.668 nan 8.370 nan 0.000 0.513 557 A N 3.022 125.844 122.820 0.003 0.000 2.225 557 A HA -0.176 4.139 4.320 -0.008 0.000 0.215 557 A C 1.554 179.128 177.584 -0.017 0.000 1.164 557 A CA 1.303 53.328 52.037 -0.021 0.000 0.710 557 A CB -0.155 18.831 19.000 -0.023 0.000 0.780 557 A HN 0.654 nan 8.150 nan 0.000 0.473 558 D N -1.368 119.029 120.400 -0.005 0.000 2.197 558 D HA 0.194 4.829 4.640 -0.008 0.000 0.212 558 D C 1.164 177.465 176.300 0.002 0.000 0.963 558 D CA 1.179 55.179 54.000 -0.001 0.000 0.864 558 D CB -0.171 40.631 40.800 0.004 0.000 1.009 558 D HN 0.641 nan 8.370 nan 0.000 0.479 559 G N 0.838 109.638 108.800 0.001 0.000 2.767 559 G HA2 0.121 4.076 3.960 -0.008 0.000 0.228 559 G HA3 0.121 4.076 3.960 -0.008 0.000 0.228 559 G C -0.125 174.775 174.900 0.001 0.000 1.271 559 G CA -0.011 45.091 45.100 0.003 0.000 1.029 559 G HN 0.612 nan 8.290 nan 0.000 0.543 560 T N -2.832 111.719 114.554 -0.005 0.000 2.739 560 T HA 0.785 5.130 4.350 -0.008 0.000 0.303 560 T C -0.602 174.085 174.700 -0.022 0.000 1.389 560 T CA -0.322 61.773 62.100 -0.008 0.000 1.001 560 T CB 2.277 71.153 68.868 0.013 0.000 1.436 560 T HN 0.456 nan 8.240 nan 0.000 0.500 561 T N 0.960 115.490 114.554 -0.040 0.000 2.856 561 T HA 0.815 5.160 4.350 -0.008 0.000 0.283 561 T C -0.447 174.273 174.700 0.034 0.000 1.008 561 T CA -0.866 61.205 62.100 -0.047 0.000 0.997 561 T CB 1.890 70.622 68.868 -0.225 0.000 0.992 561 T HN 0.856 nan 8.240 nan 0.000 0.454 562 R N 1.226 121.759 120.500 0.054 0.000 2.799 562 R HA 0.768 5.103 4.340 -0.008 0.000 0.270 562 R C -2.103 174.230 176.300 0.054 0.000 1.010 562 R CA -0.810 55.318 56.100 0.047 0.000 0.916 562 R CB 1.045 31.337 30.300 -0.013 0.000 1.228 562 R HN 0.461 nan 8.270 nan 0.000 0.469 563 L N 0.772 122.003 121.223 0.013 0.000 2.445 563 L HA 0.562 4.897 4.340 -0.008 0.000 0.262 563 L C -0.501 176.282 176.870 -0.145 0.000 0.974 563 L CA -0.614 54.198 54.840 -0.046 0.000 0.822 563 L CB 2.148 44.175 42.059 -0.052 0.000 1.339 563 L HN 0.708 nan 8.230 nan 0.000 0.409 564 E N 0.469 120.522 120.200 -0.245 0.000 2.447 564 E HA 0.734 5.079 4.350 -0.008 0.000 0.251 564 E C -1.562 174.771 176.600 -0.445 0.000 0.910 564 E CA -0.785 55.521 56.400 -0.157 0.000 0.841 564 E CB 2.169 31.798 29.700 -0.119 0.000 1.403 564 E HN 0.410 nan 8.360 nan 0.000 0.400 565 Y N -0.749 119.600 120.300 0.083 0.000 2.728 565 Y HA 0.524 5.069 4.550 -0.008 0.000 0.330 565 Y C -0.675 175.285 175.900 0.100 0.000 1.234 565 Y CA -0.837 57.318 58.100 0.092 0.000 1.070 565 Y CB 2.159 40.635 38.460 0.026 0.000 1.300 565 Y HN 0.360 nan 8.280 nan 0.000 0.467 566 S N 0.851 116.711 115.700 0.267 0.000 2.605 566 S HA 0.211 4.676 4.470 -0.008 0.000 0.279 566 S C -1.459 173.238 174.600 0.161 0.000 1.166 566 S CA -0.891 57.431 58.200 0.204 0.000 0.975 566 S CB 0.811 64.145 63.200 0.224 0.000 1.111 566 S HN 0.726 nan 8.310 nan 0.000 0.465 567 D N 1.867 122.336 120.400 0.114 0.000 2.307 567 D HA 0.131 4.767 4.640 -0.008 0.000 0.234 567 D C -0.520 175.835 176.300 0.092 0.000 1.308 567 D CA 0.679 54.723 54.000 0.074 0.000 0.886 567 D CB 0.699 41.539 40.800 0.067 0.000 1.202 567 D HN 0.422 nan 8.370 nan 0.000 0.479 568 V N 2.379 122.324 119.914 0.052 0.000 2.567 568 V HA 0.193 4.308 4.120 -0.008 0.000 0.298 568 V C 0.238 176.399 176.094 0.112 0.000 1.047 568 V CA -0.985 61.364 62.300 0.081 0.000 0.880 568 V CB 1.753 33.532 31.823 -0.073 0.000 1.009 568 V HN 0.446 nan 8.190 nan 0.000 0.429 569 K N 3.885 124.370 120.400 0.141 0.000 2.455 569 K HA 0.281 4.596 4.320 -0.008 0.000 0.269 569 K C -0.589 176.098 176.600 0.146 0.000 0.972 569 K CA 0.123 56.486 56.287 0.127 0.000 0.938 569 K CB 0.372 32.946 32.500 0.124 0.000 0.931 569 K HN 0.400 nan 8.250 nan 0.000 0.507 570 I N -0.187 120.466 120.570 0.138 0.000 3.239 570 I HA 0.352 4.517 4.170 -0.008 0.000 0.314 570 I C 0.595 176.812 176.117 0.168 0.000 1.126 570 I CA -0.564 60.835 61.300 0.165 0.000 0.973 570 I CB 1.477 39.559 38.000 0.135 0.000 1.252 570 I HN 0.925 nan 8.210 nan 0.000 0.463 571 T N -3.174 111.499 114.554 0.197 0.000 2.611 571 T HA 0.173 4.518 4.350 -0.008 0.000 0.269 571 T C 1.018 175.826 174.700 0.181 0.000 1.032 571 T CA 0.244 62.458 62.100 0.191 0.000 1.178 571 T CB 0.151 69.165 68.868 0.243 0.000 1.651 571 T HN 0.433 nan 8.240 nan 0.000 0.456 572 T N 0.941 115.615 114.554 0.200 0.000 2.755 572 T HA -0.097 4.248 4.350 -0.008 0.000 0.266 572 T C 0.372 175.160 174.700 0.147 0.000 1.041 572 T CA 1.750 63.951 62.100 0.169 0.000 1.147 572 T CB -0.490 68.499 68.868 0.202 0.000 0.847 572 T HN 0.479 nan 8.240 nan 0.000 0.478 573 L N 2.093 123.416 121.223 0.166 0.000 2.410 573 L HA 0.538 4.873 4.340 -0.008 0.000 0.270 573 L C -2.591 174.364 176.870 0.142 0.000 0.983 573 L CA -2.411 52.505 54.840 0.125 0.000 0.822 573 L CB 1.962 44.081 42.059 0.101 0.000 1.285 573 L HN -0.205 nan 8.230 nan 0.000 0.409 574 P HA 0.452 nan 4.420 nan 0.000 0.285 574 P C -2.644 174.588 177.300 -0.113 0.000 1.269 574 P CA -1.625 61.490 63.100 0.025 0.000 0.844 574 P CB 0.774 32.472 31.700 -0.005 0.000 1.094 575 P HA 0.144 nan 4.420 nan 0.000 0.261 575 P C -1.488 175.524 177.300 -0.480 0.000 1.650 575 P CA 0.116 62.812 63.100 -0.674 0.000 0.846 575 P CB -0.099 31.314 31.700 -0.479 0.000 1.758 576 A N 0.000 122.625 122.820 -0.325 0.000 2.254 576 A HA 0.000 4.315 4.320 -0.008 0.000 0.244 576 A CA 0.000 51.908 52.037 -0.215 0.000 0.836 576 A CB 0.000 18.929 19.000 -0.118 0.000 0.831 576 A HN 0.000 nan 8.150 nan 0.000 0.486