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 3ab4_1_E DATA FIRST_RESID 2 DATA SEQUENCE ALVVQKYGGS SLESAERIRN VAERIVATKK AGNDVVVVCS AMGDTTDELL DATA SEQUENCE ELAAAVNPVP PAREMDMLLT AGERISNALV AMAIESLGAE AQSFTGXXXX DATA SEQUENCE XXXXXXXXXX XXXXXTPGRV REALDEGKIC IVAGFXXXXX XXXXXXXLGR DATA SEQUENCE GGSDTTAVAL AAALNADVCE IYSDVDGVYT ADPRIVPNAQ KLEKLSFEEM DATA SEQUENCE LELAAVGSKI LVLRSVEYAR AFNVPLRVRS SYSNDPGTLI AGSMEDIPVE DATA SEQUENCE EAVLTGVATD KSEAKVTVLG ISDKPGEAAK VFRALADAEI NIDMVLQNXX DATA SEQUENCE XXXXXTTDIT FTCPRSDGRR AMEILKKLQX XGNWTNVLYD DQVGKVSLVG DATA SEQUENCE AGMKSHPGVT AEFMEALRDV NVNIELISTS EIRISVLIRE DDLDAAARAL DATA SEQUENCE HEQFQLGG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.595 177.584 0.018 0.000 1.274 2 A CA 0.000 52.047 52.037 0.016 0.000 0.836 2 A CB 0.000 19.011 19.000 0.018 0.000 0.831 3 L N 1.782 123.015 121.223 0.017 0.000 2.316 3 L HA 0.727 5.068 4.340 0.001 0.000 0.280 3 L C -1.022 175.861 176.870 0.022 0.000 1.006 3 L CA -0.823 54.027 54.840 0.017 0.000 0.836 3 L CB 1.168 43.233 42.059 0.009 0.000 1.221 3 L HN 1.037 nan 8.230 nan 0.000 0.418 4 V N 6.174 126.106 119.914 0.030 0.000 2.443 4 V HA 0.483 4.604 4.120 0.001 0.000 0.293 4 V C -0.656 175.465 176.094 0.045 0.000 1.021 4 V CA -0.350 61.973 62.300 0.038 0.000 0.848 4 V CB 2.002 33.854 31.823 0.050 0.000 0.998 4 V HN 0.450 nan 8.190 nan 0.000 0.424 5 V N 6.901 126.837 119.914 0.037 0.000 2.607 5 V HA 0.484 4.605 4.120 0.001 0.000 0.289 5 V C 0.127 176.253 176.094 0.054 0.000 1.053 5 V CA -0.189 62.136 62.300 0.041 0.000 0.996 5 V CB 1.455 33.292 31.823 0.023 0.000 0.995 5 V HN 1.000 nan 8.190 nan 0.000 0.476 6 Q N 3.492 123.337 119.800 0.075 0.000 2.304 6 Q HA 0.460 4.800 4.340 0.001 0.000 0.270 6 Q C -0.935 175.074 176.000 0.016 0.000 1.035 6 Q CA -0.757 55.080 55.803 0.057 0.000 0.781 6 Q CB 2.833 31.647 28.738 0.127 0.000 1.261 6 Q HN 0.492 nan 8.270 nan 0.000 0.444 7 K N 2.801 123.157 120.400 -0.073 0.000 2.244 7 K HA 0.402 4.723 4.320 0.001 0.000 0.260 7 K C -1.737 174.787 176.600 -0.126 0.000 0.951 7 K CA -0.471 55.803 56.287 -0.021 0.000 0.826 7 K CB 0.967 33.470 32.500 0.005 0.000 1.108 7 K HN 0.584 nan 8.250 nan 0.000 0.433 8 Y N 0.525 120.896 120.300 0.118 0.000 2.364 8 Y HA 0.392 4.942 4.550 0.001 0.000 0.340 8 Y C 0.908 176.856 175.900 0.081 0.000 0.975 8 Y CA -0.630 57.536 58.100 0.109 0.000 1.089 8 Y CB 2.101 40.575 38.460 0.024 0.000 1.192 8 Y HN 0.723 nan 8.280 nan 0.000 0.454 9 G N 0.506 109.442 108.800 0.226 0.000 2.547 9 G HA2 0.380 4.341 3.960 0.001 0.000 0.291 9 G HA3 0.380 4.341 3.960 0.001 0.000 0.291 9 G C 0.992 175.975 174.900 0.138 0.000 1.211 9 G CA -0.264 44.926 45.100 0.151 0.000 0.950 9 G HN 0.860 nan 8.290 nan 0.000 0.504 10 G N -0.188 108.672 108.800 0.101 0.000 2.440 10 G HA2 -0.217 3.744 3.960 0.001 0.000 0.218 10 G HA3 -0.217 3.744 3.960 0.001 0.000 0.218 10 G C 2.193 177.149 174.900 0.093 0.000 1.154 10 G CA 2.046 47.194 45.100 0.082 0.000 0.767 10 G HN 0.965 nan 8.290 nan 0.000 0.552 11 S N 1.145 116.913 115.700 0.114 0.000 2.369 11 S HA -0.207 4.264 4.470 0.001 0.000 0.225 11 S C 2.350 177.061 174.600 0.185 0.000 1.043 11 S CA 2.062 60.352 58.200 0.150 0.000 1.074 11 S CB -0.867 62.435 63.200 0.170 0.000 0.962 11 S HN 0.241 nan 8.310 nan 0.000 0.433 12 S N 1.564 117.379 115.700 0.192 0.000 2.507 12 S HA 0.245 4.716 4.470 0.001 0.000 0.235 12 S C 1.064 175.676 174.600 0.021 0.000 0.988 12 S CA 0.681 58.959 58.200 0.130 0.000 0.944 12 S CB -0.375 62.951 63.200 0.210 0.000 0.762 12 S HN 0.460 nan 8.310 nan 0.000 0.526 13 L N 1.335 122.583 121.223 0.041 0.000 3.141 13 L HA 0.241 4.581 4.340 0.001 0.000 0.267 13 L C 1.571 178.447 176.870 0.009 0.000 1.281 13 L CA -0.076 54.761 54.840 -0.005 0.000 1.037 13 L CB 0.058 42.119 42.059 0.003 0.000 1.407 13 L HN 0.312 nan 8.230 nan 0.000 0.566 14 E N -0.128 120.090 120.200 0.029 0.000 2.427 14 E HA -0.010 4.341 4.350 0.001 0.000 0.196 14 E C 0.589 177.200 176.600 0.019 0.000 1.028 14 E CA 0.450 56.872 56.400 0.036 0.000 0.864 14 E CB 0.309 30.047 29.700 0.063 0.000 0.813 14 E HN 0.374 nan 8.360 nan 0.000 0.514 15 S N -1.731 113.970 115.700 0.002 0.000 2.615 15 S HA 0.628 5.099 4.470 0.001 0.000 0.269 15 S C 0.755 175.340 174.600 -0.025 0.000 1.161 15 S CA -0.526 57.671 58.200 -0.006 0.000 0.817 15 S CB 1.143 64.345 63.200 0.003 0.000 1.131 15 S HN 0.048 nan 8.310 nan 0.000 0.467 16 A N 0.867 123.673 122.820 -0.024 0.000 1.892 16 A HA -0.124 4.197 4.320 0.001 0.000 0.218 16 A C 1.985 179.541 177.584 -0.046 0.000 1.188 16 A CA 2.153 54.170 52.037 -0.034 0.000 0.631 16 A CB -1.380 17.605 19.000 -0.025 0.000 0.822 16 A HN 0.992 nan 8.150 nan 0.000 0.447 17 E N -0.804 119.372 120.200 -0.039 0.000 2.058 17 E HA -0.247 4.104 4.350 0.001 0.000 0.194 17 E C 2.152 178.706 176.600 -0.077 0.000 0.997 17 E CA 1.176 57.548 56.400 -0.047 0.000 0.801 17 E CB -0.067 29.615 29.700 -0.030 0.000 0.746 17 E HN 0.361 nan 8.360 nan 0.000 0.450 18 R N 0.178 120.628 120.500 -0.083 0.000 2.148 18 R HA -0.016 4.325 4.340 0.001 0.000 0.223 18 R C 2.355 178.562 176.300 -0.156 0.000 1.088 18 R CA 0.664 56.683 56.100 -0.136 0.000 0.985 18 R CB -0.500 29.730 30.300 -0.118 0.000 0.880 18 R HN 0.398 nan 8.270 nan 0.000 0.451 19 I N 0.326 120.822 120.570 -0.122 0.000 2.252 19 I HA -0.218 3.953 4.170 0.001 0.000 0.245 19 I C 2.410 178.435 176.117 -0.154 0.000 1.102 19 I CA 1.177 62.392 61.300 -0.141 0.000 1.385 19 I CB -0.168 37.774 38.000 -0.097 0.000 1.064 19 I HN 0.070 nan 8.210 nan 0.000 0.414 20 R N 0.384 120.813 120.500 -0.118 0.000 2.092 20 R HA -0.139 4.202 4.340 0.001 0.000 0.231 20 R C 2.202 178.426 176.300 -0.127 0.000 1.119 20 R CA 1.144 57.179 56.100 -0.108 0.000 0.970 20 R CB -0.488 29.767 30.300 -0.076 0.000 0.864 20 R HN 0.418 nan 8.270 nan 0.000 0.440 21 N N 0.907 119.522 118.700 -0.141 0.000 2.058 21 N HA -0.138 4.603 4.740 0.001 0.000 0.191 21 N C 1.781 177.171 175.510 -0.200 0.000 1.037 21 N CA 1.416 54.374 53.050 -0.154 0.000 0.848 21 N CB 0.010 38.394 38.487 -0.172 0.000 1.021 21 N HN -0.027 nan 8.380 nan 0.000 0.422 22 V N 1.940 121.688 119.914 -0.277 0.000 2.255 22 V HA -0.244 3.877 4.120 0.001 0.000 0.247 22 V C 2.655 178.513 176.094 -0.393 0.000 1.051 22 V CA 2.006 64.042 62.300 -0.439 0.000 1.018 22 V CB -1.189 30.254 31.823 -0.634 0.000 0.641 22 V HN 0.434 nan 8.190 nan 0.000 0.445 23 A N -0.677 121.970 122.820 -0.287 0.000 1.948 23 A HA -0.287 4.034 4.320 0.001 0.000 0.220 23 A C 2.327 179.824 177.584 -0.144 0.000 1.177 23 A CA 2.020 53.935 52.037 -0.203 0.000 0.636 23 A CB -0.507 18.408 19.000 -0.143 0.000 0.815 23 A HN 0.544 nan 8.150 nan 0.000 0.449 24 E N -0.065 120.058 120.200 -0.129 0.000 2.150 24 E HA -0.182 4.168 4.350 0.001 0.000 0.193 24 E C 2.204 178.757 176.600 -0.079 0.000 0.985 24 E CA 0.970 57.318 56.400 -0.087 0.000 0.814 24 E CB -0.238 29.418 29.700 -0.074 0.000 0.752 24 E HN 0.666 nan 8.360 nan 0.000 0.466 25 R N 0.200 120.632 120.500 -0.113 0.000 2.075 25 R HA -0.104 4.237 4.340 0.001 0.000 0.232 25 R C 2.387 178.663 176.300 -0.041 0.000 1.126 25 R CA 1.128 57.180 56.100 -0.079 0.000 0.963 25 R CB -0.136 30.090 30.300 -0.123 0.000 0.858 25 R HN 0.123 nan 8.270 nan 0.000 0.435 26 I N 0.679 121.205 120.570 -0.073 0.000 2.118 26 I HA -0.255 3.916 4.170 0.001 0.000 0.241 26 I C 2.413 178.528 176.117 -0.003 0.000 1.070 26 I CA 1.330 62.621 61.300 -0.015 0.000 1.327 26 I CB -1.299 36.669 38.000 -0.052 0.000 1.034 26 I HN 0.062 nan 8.210 nan 0.000 0.405 27 V N 1.304 121.203 119.914 -0.025 0.000 2.515 27 V HA -0.190 3.931 4.120 0.001 0.000 0.250 27 V C 2.834 178.927 176.094 -0.001 0.000 1.058 27 V CA 1.525 63.818 62.300 -0.012 0.000 1.064 27 V CB -1.092 30.718 31.823 -0.022 0.000 0.675 27 V HN 0.471 nan 8.190 nan 0.000 0.461 28 A N 0.193 123.011 122.820 -0.003 0.000 1.902 28 A HA -0.223 4.098 4.320 0.001 0.000 0.217 28 A C 2.410 180.007 177.584 0.022 0.000 1.181 28 A CA 2.524 54.565 52.037 0.008 0.000 0.623 28 A CB -0.940 18.064 19.000 0.007 0.000 0.818 28 A HN 0.514 nan 8.150 nan 0.000 0.443 29 T N -0.198 114.375 114.554 0.033 0.000 2.821 29 T HA -0.123 4.228 4.350 0.001 0.000 0.267 29 T C 1.985 176.708 174.700 0.039 0.000 1.046 29 T CA 1.697 63.826 62.100 0.048 0.000 1.139 29 T CB -0.177 68.736 68.868 0.075 0.000 0.871 29 T HN 0.532 nan 8.240 nan 0.000 0.454 30 K N 2.244 122.663 120.400 0.032 0.000 2.063 30 K HA -0.053 4.268 4.320 0.001 0.000 0.208 30 K C 2.173 178.785 176.600 0.020 0.000 1.048 30 K CA 1.918 58.220 56.287 0.026 0.000 0.928 30 K CB -0.611 31.902 32.500 0.021 0.000 0.713 30 K HN 0.333 nan 8.250 nan 0.000 0.442 31 K N -0.235 120.175 120.400 0.017 0.000 2.551 31 K HA 0.309 4.630 4.320 0.001 0.000 0.192 31 K C 1.568 178.178 176.600 0.015 0.000 1.027 31 K CA 0.982 57.277 56.287 0.013 0.000 1.059 31 K CB -0.433 32.072 32.500 0.009 0.000 0.831 31 K HN 0.413 nan 8.250 nan 0.000 0.508 32 A N -0.650 122.182 122.820 0.020 0.000 2.308 32 A HA 0.514 4.834 4.320 0.001 0.000 0.217 32 A C 1.515 179.111 177.584 0.019 0.000 1.216 32 A CA 0.711 52.760 52.037 0.020 0.000 0.864 32 A CB -0.229 18.786 19.000 0.025 0.000 0.902 32 A HN 1.456 nan 8.150 nan 0.000 0.499 33 G N -0.226 108.585 108.800 0.018 0.000 2.215 33 G HA2 -0.168 3.793 3.960 0.001 0.000 0.198 33 G HA3 -0.168 3.793 3.960 0.001 0.000 0.198 33 G C -0.604 174.308 174.900 0.019 0.000 1.047 33 G CA -0.070 45.040 45.100 0.017 0.000 0.747 33 G HN 0.557 nan 8.290 nan 0.000 0.495 34 N N 0.177 118.890 118.700 0.022 0.000 2.269 34 N HA 0.530 5.271 4.740 0.001 0.000 0.304 34 N C -1.244 174.281 175.510 0.025 0.000 1.072 34 N CA -0.900 52.165 53.050 0.025 0.000 0.802 34 N CB 1.364 39.870 38.487 0.032 0.000 1.348 34 N HN 0.112 nan 8.380 nan 0.000 0.484 35 D N 0.774 121.187 120.400 0.022 0.000 2.383 35 D HA 0.235 4.876 4.640 0.001 0.000 0.252 35 D C -0.489 175.828 176.300 0.028 0.000 1.166 35 D CA -0.045 53.968 54.000 0.021 0.000 0.879 35 D CB 0.839 41.647 40.800 0.013 0.000 1.164 35 D HN 0.210 nan 8.370 nan 0.000 0.462 36 V N 1.264 121.199 119.914 0.035 0.000 2.769 36 V HA 0.799 4.920 4.120 0.001 0.000 0.312 36 V C -0.919 175.203 176.094 0.047 0.000 1.061 36 V CA -0.829 61.499 62.300 0.047 0.000 0.931 36 V CB 2.021 33.882 31.823 0.063 0.000 1.010 36 V HN 0.312 nan 8.190 nan 0.000 0.433 37 V N 6.064 126.008 119.914 0.050 0.000 2.638 37 V HA 0.896 5.016 4.120 0.001 0.000 0.306 37 V C -0.629 175.512 176.094 0.079 0.000 1.052 37 V CA 0.143 62.472 62.300 0.048 0.000 0.885 37 V CB 1.740 33.565 31.823 0.003 0.000 0.999 37 V HN 2.086 nan 8.190 nan 0.000 0.424 38 V N 5.254 125.230 119.914 0.103 0.000 2.667 38 V HA 0.955 5.075 4.120 0.001 0.000 0.308 38 V C -0.892 175.280 176.094 0.129 0.000 1.048 38 V CA -0.343 62.047 62.300 0.150 0.000 0.928 38 V CB 1.897 33.837 31.823 0.194 0.000 1.004 38 V HN 0.958 nan 8.190 nan 0.000 0.444 39 V N 3.165 123.167 119.914 0.147 0.000 2.735 39 V HA 0.614 4.734 4.120 0.001 0.000 0.310 39 V C -0.419 175.766 176.094 0.152 0.000 1.061 39 V CA -0.315 62.056 62.300 0.117 0.000 0.913 39 V CB 1.842 33.711 31.823 0.077 0.000 1.005 39 V HN 1.183 nan 8.190 nan 0.000 0.428 40 C N 2.277 121.648 119.300 0.118 0.000 2.441 40 C HA 0.644 5.105 4.460 0.001 0.000 0.318 40 C C 0.693 175.735 174.990 0.086 0.000 1.222 40 C CA -0.695 58.395 59.018 0.119 0.000 1.474 40 C CB 1.450 29.240 27.740 0.083 0.000 2.125 40 C HN 0.894 nan 8.230 nan 0.000 0.479 41 S N 1.566 117.320 115.700 0.091 0.000 2.593 41 S HA 0.523 4.994 4.470 0.001 0.000 0.269 41 S C 0.518 175.150 174.600 0.055 0.000 1.334 41 S CA -0.417 57.823 58.200 0.067 0.000 1.015 41 S CB 0.648 63.890 63.200 0.071 0.000 0.912 41 S HN 1.046 nan 8.310 nan 0.000 0.541 42 A N 2.539 125.384 122.820 0.042 0.000 2.520 42 A HA 0.201 4.522 4.320 0.001 0.000 0.235 42 A C 0.481 178.086 177.584 0.036 0.000 1.065 42 A CA -0.010 52.047 52.037 0.034 0.000 0.764 42 A CB -0.410 18.607 19.000 0.028 0.000 1.002 42 A HN 0.810 nan 8.150 nan 0.000 0.502 43 M N 2.274 121.891 119.600 0.029 0.000 2.261 43 M HA 0.107 4.588 4.480 0.001 0.000 0.350 43 M C 1.345 177.666 176.300 0.034 0.000 1.343 43 M CA 0.795 56.112 55.300 0.029 0.000 1.003 43 M CB -0.342 32.269 32.600 0.017 0.000 1.848 43 M HN 0.928 nan 8.290 nan 0.000 0.456 44 G N 2.652 111.478 108.800 0.044 0.000 2.368 44 G HA2 -0.139 3.821 3.960 0.001 0.000 0.247 44 G HA3 -0.139 3.821 3.960 0.001 0.000 0.247 44 G C 0.385 175.307 174.900 0.037 0.000 0.855 44 G CA -0.056 45.072 45.100 0.047 0.000 0.943 44 G HN 1.017 nan 8.290 nan 0.000 0.374 45 D N -0.327 120.094 120.400 0.035 0.000 2.880 45 D HA -0.265 4.376 4.640 0.001 0.000 0.198 45 D C 1.695 178.010 176.300 0.025 0.000 1.059 45 D CA 2.247 56.264 54.000 0.029 0.000 1.019 45 D CB -1.382 39.434 40.800 0.026 0.000 1.112 45 D HN 0.735 nan 8.370 nan 0.000 0.424 46 T N -1.117 113.452 114.554 0.025 0.000 2.777 46 T HA -0.176 4.174 4.350 0.001 0.000 0.266 46 T C 2.007 176.720 174.700 0.021 0.000 1.040 46 T CA 3.136 65.249 62.100 0.021 0.000 1.141 46 T CB -0.315 68.565 68.868 0.020 0.000 0.868 46 T HN 0.469 nan 8.240 nan 0.000 0.444 47 T N -0.098 114.470 114.554 0.023 0.000 2.708 47 T HA -0.134 4.217 4.350 0.001 0.000 0.266 47 T C 1.710 176.422 174.700 0.020 0.000 1.037 47 T CA 1.585 63.698 62.100 0.022 0.000 1.146 47 T CB -0.888 67.994 68.868 0.024 0.000 0.865 47 T HN 0.305 nan 8.240 nan 0.000 0.435 48 D N 1.612 122.025 120.400 0.021 0.000 2.126 48 D HA -0.113 4.528 4.640 0.001 0.000 0.190 48 D C 2.292 178.603 176.300 0.018 0.000 1.001 48 D CA 1.549 55.561 54.000 0.020 0.000 0.841 48 D CB -0.361 40.451 40.800 0.020 0.000 0.949 48 D HN 0.648 nan 8.370 nan 0.000 0.446 49 E N -0.387 119.823 120.200 0.018 0.000 2.077 49 E HA -0.138 4.212 4.350 0.001 0.000 0.193 49 E C 2.068 178.677 176.600 0.015 0.000 0.989 49 E CA 0.319 56.728 56.400 0.016 0.000 0.800 49 E CB -0.010 29.699 29.700 0.015 0.000 0.746 49 E HN 0.109 nan 8.360 nan 0.000 0.452 50 L N 0.468 121.700 121.223 0.015 0.000 2.083 50 L HA -0.177 4.164 4.340 0.001 0.000 0.209 50 L C 2.132 179.011 176.870 0.015 0.000 1.083 50 L CA 1.292 56.140 54.840 0.015 0.000 0.752 50 L CB -0.608 41.460 42.059 0.015 0.000 0.899 50 L HN 0.163 nan 8.230 nan 0.000 0.433 51 L N -0.735 120.497 121.223 0.016 0.000 2.056 51 L HA -0.183 4.158 4.340 0.001 0.000 0.207 51 L C 2.561 179.440 176.870 0.015 0.000 1.078 51 L CA 1.485 56.335 54.840 0.016 0.000 0.749 51 L CB -0.841 41.228 42.059 0.017 0.000 0.901 51 L HN 0.385 nan 8.230 nan 0.000 0.433 52 E N -0.889 119.320 120.200 0.015 0.000 2.047 52 E HA -0.222 4.129 4.350 0.001 0.000 0.191 52 E C 2.210 178.818 176.600 0.013 0.000 0.987 52 E CA 0.697 57.105 56.400 0.014 0.000 0.799 52 E CB -0.016 29.693 29.700 0.014 0.000 0.752 52 E HN 0.172 nan 8.360 nan 0.000 0.449 53 L N 0.880 122.110 121.223 0.012 0.000 2.043 53 L HA -0.174 4.167 4.340 0.001 0.000 0.212 53 L C 2.319 179.196 176.870 0.011 0.000 1.075 53 L CA 2.145 56.992 54.840 0.011 0.000 0.752 53 L CB -1.132 40.933 42.059 0.011 0.000 0.891 53 L HN 0.228 nan 8.230 nan 0.000 0.432 54 A N -1.220 121.607 122.820 0.012 0.000 1.898 54 A HA -0.086 4.235 4.320 0.001 0.000 0.216 54 A C 2.458 180.049 177.584 0.012 0.000 1.181 54 A CA 1.658 53.702 52.037 0.012 0.000 0.620 54 A CB -0.879 18.128 19.000 0.012 0.000 0.819 54 A HN 0.432 nan 8.150 nan 0.000 0.442 55 A N -0.022 122.806 122.820 0.013 0.000 1.902 55 A HA 0.132 4.453 4.320 0.001 0.000 0.217 55 A C 2.469 180.060 177.584 0.011 0.000 1.181 55 A CA 2.101 54.145 52.037 0.013 0.000 0.623 55 A CB -0.997 18.012 19.000 0.014 0.000 0.818 55 A HN 1.099 nan 8.150 nan 0.000 0.443 56 A N -1.177 121.649 122.820 0.011 0.000 2.019 56 A HA 0.078 4.399 4.320 0.001 0.000 0.219 56 A C 2.094 179.683 177.584 0.009 0.000 1.164 56 A CA 1.699 53.742 52.037 0.010 0.000 0.644 56 A CB -0.492 18.513 19.000 0.010 0.000 0.805 56 A HN 0.428 nan 8.150 nan 0.000 0.449 57 V N -0.696 119.224 119.914 0.009 0.000 3.174 57 V HA 0.110 4.231 4.120 0.001 0.000 0.254 57 V C 0.498 176.597 176.094 0.008 0.000 1.120 57 V CA 1.176 63.481 62.300 0.008 0.000 1.114 57 V CB -0.486 31.343 31.823 0.008 0.000 0.756 57 V HN 0.740 nan 8.190 nan 0.000 0.467 58 N N -0.649 118.057 118.700 0.009 0.000 2.648 58 N HA 0.201 4.941 4.740 0.001 0.000 0.272 58 N C -2.384 173.132 175.510 0.010 0.000 1.118 58 N CA -0.776 52.279 53.050 0.009 0.000 0.973 58 N CB 2.170 40.663 38.487 0.009 0.000 1.565 58 N HN -0.199 nan 8.380 nan 0.000 0.542 59 P HA -0.074 nan 4.420 nan 0.000 0.219 59 P C -0.158 177.149 177.300 0.012 0.000 1.146 59 P CA 0.863 63.969 63.100 0.011 0.000 0.808 59 P CB 0.413 32.119 31.700 0.010 0.000 0.779 60 V N 2.019 121.940 119.914 0.011 0.000 2.289 60 V HA 0.277 4.398 4.120 0.001 0.000 0.272 60 V C -2.543 173.558 176.094 0.012 0.000 1.026 60 V CA -1.817 60.490 62.300 0.012 0.000 0.807 60 V CB 1.316 33.146 31.823 0.011 0.000 1.044 60 V HN -0.062 nan 8.190 nan 0.000 0.443 61 P HA 0.307 nan 4.420 nan 0.000 0.282 61 P C -2.355 174.953 177.300 0.012 0.000 1.274 61 P CA -1.231 61.877 63.100 0.012 0.000 0.770 61 P CB 0.177 31.884 31.700 0.013 0.000 0.867 62 P HA 0.110 nan 4.420 nan 0.000 0.275 62 P C 0.395 177.702 177.300 0.012 0.000 1.227 62 P CA -0.224 62.883 63.100 0.011 0.000 0.781 62 P CB 1.003 32.709 31.700 0.010 0.000 0.906 63 A N 3.066 125.894 122.820 0.013 0.000 2.067 63 A HA -0.099 4.221 4.320 0.001 0.000 0.219 63 A C 2.395 179.987 177.584 0.014 0.000 1.158 63 A CA 1.886 53.932 52.037 0.014 0.000 0.661 63 A CB -1.045 17.964 19.000 0.015 0.000 0.801 63 A HN 0.629 nan 8.150 nan 0.000 0.452 64 R N 0.630 121.138 120.500 0.013 0.000 2.088 64 R HA -0.180 4.160 4.340 0.001 0.000 0.232 64 R C 1.811 178.119 176.300 0.013 0.000 1.136 64 R CA 1.977 58.085 56.100 0.013 0.000 0.926 64 R CB -1.383 28.924 30.300 0.012 0.000 0.837 64 R HN 0.689 nan 8.270 nan 0.000 0.429 65 E N 0.629 120.836 120.200 0.012 0.000 2.150 65 E HA -0.074 4.277 4.350 0.001 0.000 0.193 65 E C 2.137 178.745 176.600 0.013 0.000 0.985 65 E CA 0.888 57.295 56.400 0.012 0.000 0.814 65 E CB -0.329 29.378 29.700 0.010 0.000 0.752 65 E HN 0.412 nan 8.360 nan 0.000 0.466 66 M N 1.379 120.987 119.600 0.013 0.000 2.144 66 M HA -0.159 4.322 4.480 0.001 0.000 0.260 66 M C 1.709 178.018 176.300 0.015 0.000 1.067 66 M CA 1.330 56.639 55.300 0.014 0.000 1.095 66 M CB -0.656 31.953 32.600 0.015 0.000 1.365 66 M HN 0.036 nan 8.290 nan 0.000 0.406 67 D N -0.258 120.152 120.400 0.016 0.000 2.097 67 D HA -0.104 4.536 4.640 0.001 0.000 0.197 67 D C 2.064 178.374 176.300 0.018 0.000 0.984 67 D CA 1.149 55.160 54.000 0.018 0.000 0.826 67 D CB -0.034 40.777 40.800 0.019 0.000 0.973 67 D HN 0.320 nan 8.370 nan 0.000 0.460 68 M N -0.020 119.589 119.600 0.016 0.000 2.082 68 M HA -0.220 4.260 4.480 0.001 0.000 0.258 68 M C 2.242 178.551 176.300 0.015 0.000 1.069 68 M CA 1.042 56.351 55.300 0.015 0.000 1.102 68 M CB -0.234 32.374 32.600 0.013 0.000 1.336 68 M HN 0.065 nan 8.290 nan 0.000 0.404 69 L N 0.467 121.699 121.223 0.014 0.000 2.017 69 L HA -0.153 4.187 4.340 0.001 0.000 0.208 69 L C 2.026 178.905 176.870 0.015 0.000 1.073 69 L CA 1.892 56.740 54.840 0.014 0.000 0.745 69 L CB -0.521 41.546 42.059 0.013 0.000 0.894 69 L HN 0.266 nan 8.230 nan 0.000 0.432 70 L N -1.741 119.492 121.223 0.017 0.000 2.179 70 L HA -0.092 4.249 4.340 0.001 0.000 0.208 70 L C 2.237 179.120 176.870 0.021 0.000 1.096 70 L CA 1.091 55.942 54.840 0.019 0.000 0.779 70 L CB -0.919 41.151 42.059 0.019 0.000 0.922 70 L HN 0.236 nan 8.230 nan 0.000 0.443 71 T N 0.302 114.869 114.554 0.021 0.000 2.746 71 T HA -0.149 4.201 4.350 0.001 0.000 0.267 71 T C 2.099 176.811 174.700 0.021 0.000 1.039 71 T CA 1.317 63.431 62.100 0.024 0.000 1.142 71 T CB -0.169 68.713 68.868 0.024 0.000 0.866 71 T HN 0.425 nan 8.240 nan 0.000 0.444 72 A N 1.588 124.419 122.820 0.017 0.000 1.883 72 A HA 0.057 4.377 4.320 0.001 0.000 0.217 72 A C 2.650 180.243 177.584 0.015 0.000 1.186 72 A CA 1.998 54.043 52.037 0.014 0.000 0.624 72 A CB -1.512 17.495 19.000 0.012 0.000 0.822 72 A HN 0.506 nan 8.150 nan 0.000 0.444 73 G N -0.452 108.358 108.800 0.017 0.000 2.491 73 G HA2 -0.289 3.672 3.960 0.001 0.000 0.218 73 G HA3 -0.289 3.672 3.960 0.001 0.000 0.218 73 G C 1.428 176.341 174.900 0.021 0.000 1.180 73 G CA 1.185 46.296 45.100 0.018 0.000 0.774 73 G HN 0.671 nan 8.290 nan 0.000 0.562 74 E N -0.383 119.832 120.200 0.025 0.000 2.150 74 E HA -0.055 4.296 4.350 0.001 0.000 0.193 74 E C 2.559 179.175 176.600 0.027 0.000 0.985 74 E CA 0.520 56.938 56.400 0.030 0.000 0.814 74 E CB -0.042 29.680 29.700 0.036 0.000 0.752 74 E HN 0.276 nan 8.360 nan 0.000 0.466 75 R N 0.719 121.233 120.500 0.023 0.000 2.189 75 R HA -0.040 4.301 4.340 0.001 0.000 0.223 75 R C 1.895 178.202 176.300 0.010 0.000 1.092 75 R CA 0.711 56.822 56.100 0.018 0.000 0.989 75 R CB -0.066 30.243 30.300 0.014 0.000 0.876 75 R HN 0.175 nan 8.270 nan 0.000 0.457 76 I N -0.617 119.959 120.570 0.010 0.000 2.286 76 I HA -0.230 3.941 4.170 0.001 0.000 0.245 76 I C 1.885 178.003 176.117 0.001 0.000 1.104 76 I CA 1.134 62.436 61.300 0.004 0.000 1.397 76 I CB -0.137 37.866 38.000 0.005 0.000 1.072 76 I HN 0.141 nan 8.210 nan 0.000 0.417 77 S N 0.734 116.438 115.700 0.007 0.000 2.348 77 S HA -0.176 4.295 4.470 0.001 0.000 0.221 77 S C 1.658 176.257 174.600 -0.002 0.000 1.033 77 S CA 1.578 59.779 58.200 0.002 0.000 1.010 77 S CB -0.658 62.551 63.200 0.015 0.000 0.891 77 S HN 0.467 nan 8.310 nan 0.000 0.442 78 N N 1.579 120.286 118.700 0.011 0.000 2.037 78 N HA -0.221 4.520 4.740 0.001 0.000 0.196 78 N C 2.006 177.515 175.510 -0.002 0.000 1.034 78 N CA 1.243 54.302 53.050 0.014 0.000 0.861 78 N CB -0.333 38.170 38.487 0.027 0.000 1.039 78 N HN 0.424 nan 8.380 nan 0.000 0.427 79 A N 1.356 124.172 122.820 -0.006 0.000 1.883 79 A HA -0.137 4.183 4.320 0.001 0.000 0.217 79 A C 2.225 179.797 177.584 -0.021 0.000 1.186 79 A CA 1.271 53.299 52.037 -0.015 0.000 0.624 79 A CB -0.805 18.186 19.000 -0.014 0.000 0.822 79 A HN 0.195 nan 8.150 nan 0.000 0.444 80 L N -0.763 120.447 121.223 -0.023 0.000 2.056 80 L HA -0.128 4.213 4.340 0.001 0.000 0.207 80 L C 2.524 179.367 176.870 -0.045 0.000 1.078 80 L CA 0.917 55.738 54.840 -0.031 0.000 0.749 80 L CB -0.543 41.498 42.059 -0.031 0.000 0.901 80 L HN 0.241 nan 8.230 nan 0.000 0.433 81 V N 0.150 120.034 119.914 -0.050 0.000 2.343 81 V HA -0.293 3.828 4.120 0.001 0.000 0.247 81 V C 2.796 178.857 176.094 -0.055 0.000 1.051 81 V CA 1.726 63.982 62.300 -0.073 0.000 1.036 81 V CB -0.929 30.843 31.823 -0.084 0.000 0.654 81 V HN 0.472 nan 8.190 nan 0.000 0.451 82 A N -0.127 122.673 122.820 -0.033 0.000 1.869 82 A HA -0.330 3.991 4.320 0.001 0.000 0.218 82 A C 2.256 179.822 177.584 -0.030 0.000 1.203 82 A CA 2.703 54.725 52.037 -0.025 0.000 0.638 82 A CB -0.601 18.387 19.000 -0.020 0.000 0.831 82 A HN 0.501 nan 8.150 nan 0.000 0.450 83 M N -0.705 118.876 119.600 -0.032 0.000 2.108 83 M HA -0.203 4.277 4.480 0.001 0.000 0.261 83 M C 2.532 178.810 176.300 -0.036 0.000 1.066 83 M CA 1.600 56.881 55.300 -0.031 0.000 1.107 83 M CB -0.517 32.065 32.600 -0.029 0.000 1.356 83 M HN 0.523 nan 8.290 nan 0.000 0.406 84 A N 0.909 123.701 122.820 -0.047 0.000 1.877 84 A HA -0.160 4.161 4.320 0.001 0.000 0.216 84 A C 2.070 179.621 177.584 -0.054 0.000 1.186 84 A CA 1.870 53.873 52.037 -0.056 0.000 0.620 84 A CB -0.904 18.050 19.000 -0.078 0.000 0.822 84 A HN 0.611 nan 8.150 nan 0.000 0.443 85 I N -1.181 119.356 120.570 -0.055 0.000 2.286 85 I HA -0.155 4.016 4.170 0.001 0.000 0.248 85 I C 1.743 177.841 176.117 -0.031 0.000 1.115 85 I CA 2.347 63.619 61.300 -0.046 0.000 1.392 85 I CB -0.618 37.358 38.000 -0.040 0.000 1.065 85 I HN 0.356 nan 8.210 nan 0.000 0.418 86 E N 0.935 121.119 120.200 -0.027 0.000 2.150 86 E HA -0.163 4.188 4.350 0.001 0.000 0.193 86 E C 2.240 178.827 176.600 -0.021 0.000 0.985 86 E CA 1.356 57.744 56.400 -0.021 0.000 0.814 86 E CB -0.139 29.550 29.700 -0.020 0.000 0.752 86 E HN 0.784 nan 8.360 nan 0.000 0.466 87 S N 0.041 115.726 115.700 -0.025 0.000 2.515 87 S HA -0.004 4.467 4.470 0.001 0.000 0.231 87 S C 1.505 176.091 174.600 -0.024 0.000 0.987 87 S CA 0.303 58.489 58.200 -0.024 0.000 0.936 87 S CB 0.143 63.327 63.200 -0.026 0.000 0.766 87 S HN 0.134 nan 8.310 nan 0.000 0.528 88 L N 1.419 122.626 121.223 -0.026 0.000 2.629 88 L HA 0.309 4.650 4.340 0.001 0.000 0.230 88 L C 1.677 178.537 176.870 -0.017 0.000 1.151 88 L CA 1.004 55.830 54.840 -0.024 0.000 0.924 88 L CB -1.122 40.919 42.059 -0.030 0.000 1.137 88 L HN 0.652 nan 8.230 nan 0.000 0.457 89 G N 0.425 109.216 108.800 -0.015 0.000 2.143 89 G HA2 -0.263 3.697 3.960 0.001 0.000 0.248 89 G HA3 -0.263 3.697 3.960 0.001 0.000 0.248 89 G C 0.495 175.391 174.900 -0.007 0.000 0.991 89 G CA 0.401 45.495 45.100 -0.010 0.000 0.689 89 G HN 0.591 nan 8.290 nan 0.000 0.522 90 A N -0.901 121.915 122.820 -0.008 0.000 2.282 90 A HA 0.944 5.264 4.320 0.001 0.000 0.319 90 A C 0.341 177.925 177.584 -0.001 0.000 1.121 90 A CA 0.984 53.020 52.037 -0.002 0.000 0.836 90 A CB 0.847 19.846 19.000 -0.002 0.000 1.146 90 A HN 1.788 nan 8.150 nan 0.000 0.494 91 E N -0.460 119.744 120.200 0.006 0.000 2.277 91 E HA 0.645 4.995 4.350 0.001 0.000 0.274 91 E C -0.295 176.315 176.600 0.017 0.000 1.022 91 E CA -0.456 55.948 56.400 0.008 0.000 0.853 91 E CB 1.499 31.206 29.700 0.012 0.000 1.086 91 E HN 2.205 nan 8.360 nan 0.000 0.397 92 A N 1.701 124.529 122.820 0.013 0.000 2.437 92 A HA 0.624 4.945 4.320 0.001 0.000 0.293 92 A C -0.594 176.997 177.584 0.011 0.000 1.038 92 A CA -0.501 51.551 52.037 0.025 0.000 0.708 92 A CB 1.512 20.520 19.000 0.013 0.000 1.251 92 A HN 0.641 nan 8.150 nan 0.000 0.409 93 Q N 0.960 120.787 119.800 0.046 0.000 2.306 93 Q HA 0.741 5.082 4.340 0.001 0.000 0.265 93 Q C -0.841 175.113 176.000 -0.076 0.000 1.022 93 Q CA -0.396 55.371 55.803 -0.060 0.000 0.853 93 Q CB 1.816 30.519 28.738 -0.059 0.000 1.327 93 Q HN 0.664 nan 8.270 nan 0.000 0.449 94 S N 2.293 117.796 115.700 -0.329 0.000 2.473 94 S HA 0.682 5.153 4.470 0.001 0.000 0.307 94 S C -1.508 172.817 174.600 -0.458 0.000 1.094 94 S CA -0.429 57.653 58.200 -0.196 0.000 1.070 94 S CB 0.472 63.610 63.200 -0.102 0.000 1.019 94 S HN 0.465 nan 8.310 nan 0.000 0.480 95 F N 0.779 120.733 119.950 0.007 0.000 2.588 95 F HA 0.585 5.112 4.527 0.001 0.000 0.314 95 F C 0.358 176.162 175.800 0.008 0.000 1.069 95 F CA -0.715 57.289 58.000 0.006 0.000 0.931 95 F CB 2.558 41.562 39.000 0.006 0.000 1.260 95 F HN 0.275 nan 8.300 nan 0.000 0.465 96 T N 1.475 116.139 114.554 0.184 0.000 3.313 96 T HA 0.637 4.988 4.350 0.001 0.000 0.333 96 T C -0.429 174.323 174.700 0.088 0.000 0.904 96 T CA -0.896 61.269 62.100 0.108 0.000 1.079 96 T CB 1.047 69.951 68.868 0.061 0.000 1.017 96 T HN 1.108 nan 8.240 nan 0.000 0.471 118 P HA -0.078 nan 4.420 nan 0.000 0.217 118 P C 1.910 179.141 177.300 -0.116 0.000 1.158 118 P CA 2.216 65.236 63.100 -0.133 0.000 0.887 118 P CB -0.457 31.181 31.700 -0.103 0.000 0.792 119 G N -0.690 108.065 108.800 -0.075 0.000 2.404 119 G HA2 -0.310 3.651 3.960 0.001 0.000 0.215 119 G HA3 -0.310 3.651 3.960 0.001 0.000 0.215 119 G C 1.859 176.736 174.900 -0.039 0.000 1.174 119 G CA 1.423 46.494 45.100 -0.047 0.000 0.780 119 G HN 0.351 nan 8.290 nan 0.000 0.537 120 R N 0.035 120.519 120.500 -0.026 0.000 2.237 120 R HA 0.291 4.632 4.340 0.001 0.000 0.219 120 R C 2.503 178.779 176.300 -0.040 0.000 1.080 120 R CA 1.416 57.541 56.100 0.042 0.000 0.995 120 R CB -1.039 29.349 30.300 0.146 0.000 0.875 120 R HN 0.342 nan 8.270 nan 0.000 0.462 121 V N 0.103 119.847 119.914 -0.284 0.000 2.446 121 V HA -0.093 4.028 4.120 0.001 0.000 0.244 121 V C 2.565 178.552 176.094 -0.179 0.000 1.039 121 V CA 1.622 63.646 62.300 -0.461 0.000 1.045 121 V CB -0.237 31.258 31.823 -0.548 0.000 0.681 121 V HN 0.517 nan 8.190 nan 0.000 0.459 122 R N 1.146 121.578 120.500 -0.114 0.000 2.083 122 R HA -0.097 4.244 4.340 0.001 0.000 0.237 122 R C 1.201 177.488 176.300 -0.021 0.000 1.137 122 R CA 1.271 57.336 56.100 -0.059 0.000 0.951 122 R CB -0.301 29.972 30.300 -0.046 0.000 0.851 122 R HN 0.529 nan 8.270 nan 0.000 0.434 123 E N -1.121 119.078 120.200 -0.002 0.000 2.338 123 E HA 0.289 4.640 4.350 0.001 0.000 0.272 123 E C 0.286 176.924 176.600 0.063 0.000 1.029 123 E CA 0.557 56.974 56.400 0.028 0.000 0.872 123 E CB 1.168 30.890 29.700 0.036 0.000 1.015 123 E HN 0.426 nan 8.360 nan 0.000 0.417 124 A N 2.242 125.105 122.820 0.072 0.000 1.625 124 A HA -0.232 4.089 4.320 0.001 0.000 0.207 124 A C 1.130 178.757 177.584 0.071 0.000 0.592 124 A CA 0.583 52.685 52.037 0.108 0.000 1.211 124 A CB -1.413 17.723 19.000 0.227 0.000 1.421 124 A HN 0.511 nan 8.150 nan 0.000 0.712 125 L N 1.011 122.259 121.223 0.042 0.000 2.056 125 L HA -0.019 4.322 4.340 0.001 0.000 0.207 125 L C 1.923 178.805 176.870 0.020 0.000 1.078 125 L CA 2.775 57.629 54.840 0.022 0.000 0.749 125 L CB -0.777 41.278 42.059 -0.005 0.000 0.901 125 L HN 0.599 nan 8.230 nan 0.000 0.433 126 D N -0.821 119.589 120.400 0.017 0.000 2.144 126 D HA -0.190 4.451 4.640 0.001 0.000 0.199 126 D C 2.082 178.394 176.300 0.020 0.000 0.984 126 D CA 0.740 54.749 54.000 0.015 0.000 0.834 126 D CB 0.029 40.836 40.800 0.012 0.000 0.955 126 D HN 0.336 nan 8.370 nan 0.000 0.465 127 E N 0.044 120.260 120.200 0.028 0.000 2.153 127 E HA -0.124 4.227 4.350 0.001 0.000 0.194 127 E C 1.228 177.843 176.600 0.026 0.000 0.988 127 E CA 1.297 57.714 56.400 0.028 0.000 0.811 127 E CB 0.189 29.911 29.700 0.037 0.000 0.746 127 E HN 0.377 nan 8.360 nan 0.000 0.466 128 G N 0.726 109.544 108.800 0.030 0.000 2.227 128 G HA2 -0.167 3.794 3.960 0.001 0.000 0.168 128 G HA3 -0.167 3.794 3.960 0.001 0.000 0.168 128 G C -0.097 174.823 174.900 0.033 0.000 1.006 128 G CA -0.046 45.070 45.100 0.027 0.000 0.684 128 G HN 0.134 nan 8.290 nan 0.000 0.489 129 K N 0.600 121.028 120.400 0.047 0.000 2.298 129 K HA 0.500 4.821 4.320 0.001 0.000 0.280 129 K C 0.422 177.061 176.600 0.065 0.000 1.032 129 K CA -0.411 55.911 56.287 0.059 0.000 0.958 129 K CB 1.426 33.976 32.500 0.085 0.000 0.978 129 K HN 0.236 nan 8.250 nan 0.000 0.472 130 I N 3.162 123.767 120.570 0.059 0.000 2.436 130 I HA -0.023 4.147 4.170 0.001 0.000 0.289 130 I C -0.107 176.072 176.117 0.102 0.000 1.083 130 I CA -0.378 60.961 61.300 0.064 0.000 1.372 130 I CB 0.249 38.277 38.000 0.046 0.000 1.408 130 I HN 0.506 nan 8.210 nan 0.000 0.516 131 C N 7.930 127.300 119.300 0.117 0.000 2.225 131 C HA 0.425 4.886 4.460 0.001 0.000 0.328 131 C C 0.366 175.456 174.990 0.167 0.000 1.187 131 C CA -0.793 58.346 59.018 0.202 0.000 1.665 131 C CB -0.919 26.883 27.740 0.103 0.000 2.253 131 C HN 0.597 nan 8.230 nan 0.000 0.497 132 I N 3.512 124.205 120.570 0.205 0.000 2.396 132 I HA 0.789 4.959 4.170 0.001 0.000 0.292 132 I C -0.405 175.844 176.117 0.220 0.000 0.999 132 I CA 0.043 61.438 61.300 0.159 0.000 1.310 132 I CB 0.731 38.794 38.000 0.104 0.000 1.404 132 I HN 0.330 nan 8.210 nan 0.000 0.496 133 V N 5.133 125.138 119.914 0.151 0.000 2.789 133 V HA 0.814 4.935 4.120 0.001 0.000 0.311 133 V C 0.464 176.621 176.094 0.104 0.000 1.073 133 V CA -0.139 62.250 62.300 0.149 0.000 0.921 133 V CB 1.402 33.262 31.823 0.061 0.000 1.009 133 V HN 1.003 nan 8.190 nan 0.000 0.426 134 A N 1.962 124.844 122.820 0.104 0.000 2.594 134 A HA 0.730 5.051 4.320 0.001 0.000 0.292 134 A C 0.926 178.547 177.584 0.062 0.000 1.026 134 A CA 0.531 52.612 52.037 0.073 0.000 0.983 134 A CB 0.156 19.194 19.000 0.065 0.000 1.233 134 A HN 1.000 nan 8.150 nan 0.000 0.519 135 G N -0.640 108.196 108.800 0.061 0.000 2.601 135 G HA2 0.575 4.535 3.960 0.001 0.000 0.214 135 G HA3 0.575 4.535 3.960 0.001 0.000 0.214 135 G C 0.273 175.196 174.900 0.039 0.000 2.067 135 G CA 0.696 45.827 45.100 0.051 0.000 0.774 135 G HN 1.109 nan 8.290 nan 0.000 0.729 150 G N -0.299 108.520 108.800 0.031 0.000 2.489 150 G HA2 0.492 4.453 3.960 0.001 0.000 0.271 150 G HA3 0.492 4.453 3.960 0.001 0.000 0.271 150 G C 0.161 175.077 174.900 0.028 0.000 1.427 150 G CA 0.201 45.315 45.100 0.024 0.000 1.057 150 G HN 0.704 nan 8.290 nan 0.000 0.532 151 R N -0.463 120.050 120.500 0.021 0.000 2.368 151 R HA 0.449 4.790 4.340 0.001 0.000 0.302 151 R C 0.382 176.692 176.300 0.015 0.000 1.002 151 R CA -0.339 55.774 56.100 0.022 0.000 0.929 151 R CB 0.784 31.095 30.300 0.019 0.000 1.073 151 R HN 0.553 nan 8.270 nan 0.000 0.464 152 G N 2.026 110.840 108.800 0.024 0.000 2.335 152 G HA2 0.259 4.220 3.960 0.001 0.000 0.268 152 G HA3 0.259 4.220 3.960 0.001 0.000 0.268 152 G C 0.179 175.077 174.900 -0.002 0.000 1.228 152 G CA -0.199 44.906 45.100 0.009 0.000 0.968 152 G HN 0.747 nan 8.290 nan 0.000 0.459 153 G N 1.068 109.853 108.800 -0.026 0.000 2.543 153 G HA2 0.388 4.349 3.960 0.001 0.000 0.290 153 G HA3 0.388 4.349 3.960 0.001 0.000 0.290 153 G C 1.414 176.308 174.900 -0.011 0.000 1.310 153 G CA 0.426 45.517 45.100 -0.014 0.000 1.025 153 G HN 0.911 nan 8.290 nan 0.000 0.502 154 S N -0.578 115.125 115.700 0.005 0.000 2.382 154 S HA -0.146 4.325 4.470 0.001 0.000 0.228 154 S C 1.520 176.123 174.600 0.005 0.000 1.027 154 S CA 1.919 60.130 58.200 0.018 0.000 0.991 154 S CB -0.306 62.917 63.200 0.038 0.000 0.823 154 S HN 0.524 nan 8.310 nan 0.000 0.469 155 D N 1.946 122.336 120.400 -0.015 0.000 2.117 155 D HA -0.043 4.598 4.640 0.001 0.000 0.198 155 D C 2.486 178.748 176.300 -0.064 0.000 0.982 155 D CA 1.912 55.893 54.000 -0.032 0.000 0.828 155 D CB -0.675 40.101 40.800 -0.039 0.000 0.967 155 D HN 0.707 nan 8.370 nan 0.000 0.464 156 T N -2.289 112.193 114.554 -0.120 0.000 2.777 156 T HA -0.169 4.182 4.350 0.001 0.000 0.266 156 T C 2.100 176.764 174.700 -0.060 0.000 1.040 156 T CA 1.768 63.734 62.100 -0.224 0.000 1.141 156 T CB -0.818 67.783 68.868 -0.446 0.000 0.868 156 T HN 0.068 nan 8.240 nan 0.000 0.444 157 T N 0.964 115.508 114.554 -0.016 0.000 2.833 157 T HA 0.091 4.442 4.350 0.001 0.000 0.269 157 T C 2.190 176.902 174.700 0.020 0.000 1.054 157 T CA 1.543 63.657 62.100 0.024 0.000 1.135 157 T CB -0.929 67.954 68.868 0.025 0.000 0.869 157 T HN 0.578 nan 8.240 nan 0.000 0.466 158 A N 0.607 123.435 122.820 0.013 0.000 1.858 158 A HA -0.007 4.314 4.320 0.001 0.000 0.216 158 A C 2.591 180.187 177.584 0.021 0.000 1.190 158 A CA 1.985 54.032 52.037 0.017 0.000 0.617 158 A CB -1.139 17.870 19.000 0.014 0.000 0.827 158 A HN 0.431 nan 8.150 nan 0.000 0.443 159 V N -0.108 119.825 119.914 0.031 0.000 2.295 159 V HA -0.236 3.885 4.120 0.001 0.000 0.246 159 V C 3.086 179.227 176.094 0.078 0.000 1.049 159 V CA 1.924 64.265 62.300 0.069 0.000 1.024 159 V CB -1.326 30.556 31.823 0.097 0.000 0.648 159 V HN 0.638 nan 8.190 nan 0.000 0.447 160 A N -0.199 122.693 122.820 0.119 0.000 1.892 160 A HA -0.241 4.080 4.320 0.001 0.000 0.218 160 A C 2.235 179.778 177.584 -0.069 0.000 1.188 160 A CA 2.181 54.249 52.037 0.051 0.000 0.631 160 A CB -0.646 18.429 19.000 0.124 0.000 0.822 160 A HN 0.510 nan 8.150 nan 0.000 0.447 161 L N -1.040 120.161 121.223 -0.037 0.000 2.046 161 L HA -0.204 4.137 4.340 0.001 0.000 0.208 161 L C 3.126 179.956 176.870 -0.066 0.000 1.077 161 L CA 1.036 55.838 54.840 -0.064 0.000 0.747 161 L CB -0.563 41.467 42.059 -0.048 0.000 0.896 161 L HN 0.462 nan 8.230 nan 0.000 0.432 162 A N -0.082 122.718 122.820 -0.034 0.000 1.940 162 A HA -0.203 4.118 4.320 0.001 0.000 0.219 162 A C 2.469 180.029 177.584 -0.039 0.000 1.176 162 A CA 1.933 53.959 52.037 -0.018 0.000 0.631 162 A CB -0.613 18.398 19.000 0.020 0.000 0.814 162 A HN 0.438 nan 8.150 nan 0.000 0.446 163 A N -0.309 122.456 122.820 -0.092 0.000 1.843 163 A HA 0.282 4.602 4.320 0.001 0.000 0.213 163 A C 2.555 180.017 177.584 -0.203 0.000 1.202 163 A CA 1.900 53.837 52.037 -0.167 0.000 0.607 163 A CB -1.315 17.427 19.000 -0.431 0.000 0.847 163 A HN 1.176 nan 8.150 nan 0.000 0.445 164 A N -0.255 122.413 122.820 -0.253 0.000 1.909 164 A HA -0.206 4.115 4.320 0.001 0.000 0.221 164 A C 1.942 179.453 177.584 -0.121 0.000 1.223 164 A CA 2.029 53.949 52.037 -0.195 0.000 0.658 164 A CB -0.748 18.151 19.000 -0.169 0.000 0.831 164 A HN 0.506 nan 8.150 nan 0.000 0.462 165 L N -1.119 120.047 121.223 -0.096 0.000 2.628 165 L HA 0.149 4.490 4.340 0.001 0.000 0.229 165 L C 0.661 177.506 176.870 -0.042 0.000 1.137 165 L CA 0.085 54.885 54.840 -0.066 0.000 0.909 165 L CB -0.553 41.466 42.059 -0.066 0.000 1.137 165 L HN 0.631 nan 8.230 nan 0.000 0.470 166 N N 1.352 120.028 118.700 -0.039 0.000 2.614 166 N HA -0.182 4.559 4.740 0.001 0.000 0.276 166 N C 0.012 175.523 175.510 0.001 0.000 1.119 166 N CA 0.077 53.121 53.050 -0.009 0.000 0.742 166 N CB -0.001 38.485 38.487 -0.002 0.000 0.900 166 N HN 0.386 nan 8.380 nan 0.000 0.549 167 A N 1.955 124.778 122.820 0.005 0.000 2.286 167 A HA 0.281 4.602 4.320 0.001 0.000 0.286 167 A C 0.808 178.408 177.584 0.026 0.000 1.097 167 A CA -0.125 51.919 52.037 0.012 0.000 0.821 167 A CB 0.516 19.523 19.000 0.011 0.000 1.076 167 A HN 0.573 nan 8.150 nan 0.000 0.490 168 D N -0.730 119.684 120.400 0.024 0.000 2.144 168 D HA 0.142 4.782 4.640 0.001 0.000 0.200 168 D C 0.327 176.645 176.300 0.030 0.000 0.978 168 D CA 1.785 55.800 54.000 0.026 0.000 0.833 168 D CB 0.112 40.924 40.800 0.019 0.000 0.961 168 D HN 0.261 nan 8.370 nan 0.000 0.470 169 V N -1.104 118.826 119.914 0.027 0.000 3.120 169 V HA 0.368 4.489 4.120 0.001 0.000 0.303 169 V C -1.842 174.265 176.094 0.023 0.000 1.238 169 V CA -1.123 61.191 62.300 0.024 0.000 1.008 169 V CB 2.276 34.103 31.823 0.006 0.000 1.064 169 V HN 0.149 nan 8.190 nan 0.000 0.434 170 C N 4.968 124.280 119.300 0.019 0.000 2.291 170 C HA 0.613 5.074 4.460 0.001 0.000 0.322 170 C C -0.063 174.905 174.990 -0.038 0.000 1.205 170 C CA -0.477 58.546 59.018 0.008 0.000 1.495 170 C CB -0.175 27.582 27.740 0.029 0.000 2.127 170 C HN 0.933 nan 8.230 nan 0.000 0.452 171 E N 4.407 124.570 120.200 -0.062 0.000 2.229 171 E HA 0.347 4.698 4.350 0.001 0.000 0.283 171 E C -0.844 175.610 176.600 -0.243 0.000 1.030 171 E CA -0.248 56.038 56.400 -0.191 0.000 0.836 171 E CB 1.226 30.826 29.700 -0.167 0.000 1.068 171 E HN 0.544 nan 8.360 nan 0.000 0.401 172 I N 3.826 124.210 120.570 -0.311 0.000 2.359 172 I HA 0.145 4.316 4.170 0.001 0.000 0.284 172 I C -0.948 174.990 176.117 -0.299 0.000 1.018 172 I CA -0.373 60.797 61.300 -0.216 0.000 1.173 172 I CB 0.185 38.119 38.000 -0.110 0.000 1.326 172 I HN 0.394 nan 8.210 nan 0.000 0.462 173 Y N 5.125 125.310 120.300 -0.192 0.000 2.326 173 Y HA 0.642 5.193 4.550 0.001 0.000 0.337 173 Y C 0.820 176.728 175.900 0.014 0.000 1.023 173 Y CA -0.063 57.964 58.100 -0.122 0.000 1.143 173 Y CB 1.533 39.816 38.460 -0.295 0.000 1.183 173 Y HN 0.667 nan 8.280 nan 0.000 0.485 174 S N -0.388 115.436 115.700 0.208 0.000 2.880 174 S HA 0.249 4.720 4.470 0.001 0.000 0.308 174 S C -0.064 174.687 174.600 0.252 0.000 1.195 174 S CA -0.562 57.761 58.200 0.204 0.000 0.866 174 S CB 0.918 64.189 63.200 0.118 0.000 1.254 174 S HN 0.521 nan 8.310 nan 0.000 0.571 175 D N 0.544 121.060 120.400 0.193 0.000 2.363 175 D HA 0.039 4.680 4.640 0.001 0.000 0.220 175 D C 1.101 177.435 176.300 0.058 0.000 0.994 175 D CA 0.541 54.603 54.000 0.104 0.000 0.890 175 D CB -0.857 39.908 40.800 -0.058 0.000 0.906 175 D HN 0.655 nan 8.370 nan 0.000 0.530 176 V N -0.350 119.613 119.914 0.082 0.000 2.509 176 V HA 0.322 4.443 4.120 0.001 0.000 0.284 176 V C 0.574 176.733 176.094 0.108 0.000 1.047 176 V CA -0.604 61.747 62.300 0.084 0.000 0.952 176 V CB 1.649 33.519 31.823 0.078 0.000 0.988 176 V HN 0.084 nan 8.190 nan 0.000 0.469 177 D N 2.431 122.916 120.400 0.142 0.000 2.368 177 D HA 0.416 5.056 4.640 0.001 0.000 0.218 177 D C 0.474 176.816 176.300 0.070 0.000 1.112 177 D CA 0.763 54.835 54.000 0.119 0.000 0.834 177 D CB 0.754 41.637 40.800 0.138 0.000 0.953 177 D HN 1.242 nan 8.370 nan 0.000 0.505 178 G N -0.621 108.229 108.800 0.084 0.000 2.324 178 G HA2 0.305 4.266 3.960 0.001 0.000 0.293 178 G HA3 0.305 4.266 3.960 0.001 0.000 0.293 178 G C -1.854 173.048 174.900 0.004 0.000 1.297 178 G CA -0.285 44.783 45.100 -0.053 0.000 0.853 178 G HN 0.405 nan 8.290 nan 0.000 0.535 179 V N -0.340 119.513 119.914 -0.101 0.000 2.483 179 V HA 0.885 5.005 4.120 0.001 0.000 0.295 179 V C -1.113 174.919 176.094 -0.102 0.000 1.035 179 V CA -0.837 61.468 62.300 0.009 0.000 0.896 179 V CB 1.035 32.858 31.823 0.001 0.000 0.986 179 V HN 0.760 nan 8.190 nan 0.000 0.447 180 Y N 2.786 123.092 120.300 0.010 0.000 2.509 180 Y HA 0.407 4.958 4.550 0.002 0.000 0.341 180 Y C 1.784 177.710 175.900 0.044 0.000 1.038 180 Y CA 0.006 58.123 58.100 0.028 0.000 1.089 180 Y CB 2.435 40.915 38.460 0.033 0.000 1.241 180 Y HN 0.807 nan 8.280 nan 0.000 0.468 181 T N -1.069 113.615 114.554 0.217 0.000 2.881 181 T HA 0.215 4.566 4.350 0.001 0.000 0.270 181 T C 0.544 175.392 174.700 0.246 0.000 1.068 181 T CA 1.065 63.264 62.100 0.164 0.000 1.131 181 T CB -0.133 68.823 68.868 0.146 0.000 0.871 181 T HN 0.674 nan 8.240 nan 0.000 0.479 182 A N 0.310 123.318 122.820 0.314 0.000 2.581 182 A HA 0.538 4.859 4.320 0.001 0.000 0.290 182 A C -1.599 176.048 177.584 0.106 0.000 1.119 182 A CA -0.738 51.434 52.037 0.225 0.000 0.670 182 A CB 0.765 19.938 19.000 0.289 0.000 1.280 182 A HN 0.131 nan 8.150 nan 0.000 0.425 183 D N 0.647 121.067 120.400 0.034 0.000 2.358 183 D HA 0.325 4.966 4.640 0.001 0.000 0.258 183 D C -1.656 174.587 176.300 -0.095 0.000 1.223 183 D CA -1.470 52.501 54.000 -0.047 0.000 0.886 183 D CB 1.162 41.941 40.800 -0.034 0.000 1.120 183 D HN 0.073 nan 8.370 nan 0.000 0.482 184 P HA 0.011 nan 4.420 nan 0.000 0.229 184 P C 1.125 178.348 177.300 -0.129 0.000 1.160 184 P CA 0.629 63.629 63.100 -0.168 0.000 0.777 184 P CB 0.395 31.937 31.700 -0.264 0.000 0.814 185 R N -0.545 119.882 120.500 -0.121 0.000 2.070 185 R HA -0.080 4.261 4.340 0.001 0.000 0.233 185 R C 2.137 178.396 176.300 -0.069 0.000 1.137 185 R CA 1.301 57.349 56.100 -0.087 0.000 0.945 185 R CB -0.931 29.323 30.300 -0.077 0.000 0.845 185 R HN 0.133 nan 8.270 nan 0.000 0.430 186 I N 0.335 120.867 120.570 -0.064 0.000 2.193 186 I HA -0.078 4.093 4.170 0.001 0.000 0.240 186 I C 0.819 176.897 176.117 -0.065 0.000 1.084 186 I CA 0.980 62.249 61.300 -0.052 0.000 1.365 186 I CB -0.520 37.458 38.000 -0.036 0.000 1.064 186 I HN -0.115 nan 8.210 nan 0.000 0.410 187 V N 3.584 123.446 119.914 -0.087 0.000 2.465 187 V HA 0.130 4.250 4.120 0.001 0.000 0.279 187 V C -1.121 174.888 176.094 -0.142 0.000 1.045 187 V CA -1.043 61.177 62.300 -0.134 0.000 0.938 187 V CB 1.218 32.917 31.823 -0.207 0.000 0.986 187 V HN 0.108 nan 8.190 nan 0.000 0.467 188 P HA -0.071 nan 4.420 nan 0.000 0.210 188 P C 0.402 177.642 177.300 -0.100 0.000 1.192 188 P CA 0.779 63.822 63.100 -0.095 0.000 0.913 188 P CB 0.123 31.779 31.700 -0.073 0.000 0.774 189 N N 0.176 118.801 118.700 -0.125 0.000 2.229 189 N HA 0.335 5.076 4.740 0.001 0.000 0.242 189 N C -0.204 175.206 175.510 -0.166 0.000 1.327 189 N CA 1.071 54.057 53.050 -0.106 0.000 0.896 189 N CB -0.273 38.167 38.487 -0.078 0.000 1.129 189 N HN 0.379 nan 8.380 nan 0.000 0.490 190 A N -0.761 122.039 122.820 -0.034 0.000 2.262 190 A HA 0.075 4.395 4.320 0.001 0.000 0.636 190 A C -1.457 176.262 177.584 0.225 0.000 0.153 190 A CA -0.720 51.384 52.037 0.111 0.000 0.159 190 A CB -0.955 18.058 19.000 0.022 0.000 3.663 190 A HN 0.493 nan 8.150 nan 0.000 0.520 191 Q N 1.041 121.009 119.800 0.280 0.000 2.372 191 Q HA 0.476 4.816 4.340 0.001 0.000 0.273 191 Q C -0.266 175.759 176.000 0.041 0.000 1.078 191 Q CA -0.898 55.020 55.803 0.193 0.000 0.806 191 Q CB 2.619 31.418 28.738 0.101 0.000 1.332 191 Q HN 0.719 nan 8.270 nan 0.000 0.435 192 K N 2.108 122.350 120.400 -0.265 0.000 2.489 192 K HA 0.042 4.363 4.320 0.001 0.000 0.278 192 K C -0.635 175.765 176.600 -0.335 0.000 1.000 192 K CA -0.182 55.643 56.287 -0.770 0.000 1.012 192 K CB 0.444 32.550 32.500 -0.657 0.000 0.903 192 K HN 0.365 nan 8.250 nan 0.000 0.485 193 L N 4.608 125.648 121.223 -0.306 0.000 2.349 193 L HA 0.086 4.426 4.340 0.001 0.000 0.275 193 L C 1.513 178.291 176.870 -0.154 0.000 1.115 193 L CA 0.584 55.325 54.840 -0.166 0.000 0.820 193 L CB 1.054 43.038 42.059 -0.126 0.000 1.135 193 L HN 0.836 nan 8.230 nan 0.000 0.445 194 E N 2.573 122.708 120.200 -0.109 0.000 2.046 194 E HA -0.093 4.258 4.350 0.001 0.000 0.190 194 E C 0.062 176.605 176.600 -0.095 0.000 0.982 194 E CA 1.022 57.366 56.400 -0.093 0.000 0.800 194 E CB 0.380 30.040 29.700 -0.068 0.000 0.756 194 E HN 0.555 nan 8.360 nan 0.000 0.449 195 K N 0.050 120.395 120.400 -0.092 0.000 2.536 195 K HA 0.603 4.924 4.320 0.001 0.000 0.269 195 K C -1.108 175.431 176.600 -0.102 0.000 0.965 195 K CA -0.848 55.378 56.287 -0.102 0.000 0.860 195 K CB 1.921 34.364 32.500 -0.095 0.000 1.423 195 K HN 0.073 nan 8.250 nan 0.000 0.438 196 L N -1.822 119.327 121.223 -0.123 0.000 2.653 196 L HA 0.515 4.856 4.340 0.001 0.000 0.257 196 L C -0.562 176.210 176.870 -0.162 0.000 0.969 196 L CA -0.956 53.815 54.840 -0.114 0.000 0.869 196 L CB 2.023 44.030 42.059 -0.086 0.000 1.439 196 L HN 0.888 nan 8.230 nan 0.000 0.414 197 S N 0.162 115.780 115.700 -0.138 0.000 2.593 197 S HA 0.369 4.840 4.470 0.001 0.000 0.269 197 S C 0.885 175.402 174.600 -0.138 0.000 1.334 197 S CA -0.402 57.693 58.200 -0.175 0.000 1.015 197 S CB 0.384 63.541 63.200 -0.073 0.000 0.912 197 S HN 0.546 nan 8.310 nan 0.000 0.541 198 F N 1.862 121.800 119.950 -0.020 0.000 2.087 198 F HA -0.159 4.369 4.527 0.001 0.000 0.299 198 F C 2.689 178.478 175.800 -0.019 0.000 1.100 198 F CA 2.061 60.052 58.000 -0.015 0.000 1.226 198 F CB -0.689 38.304 39.000 -0.011 0.000 0.983 198 F HN 0.715 nan 8.300 nan 0.000 0.479 199 E N 0.322 120.627 120.200 0.175 0.000 2.285 199 E HA -0.148 4.203 4.350 0.001 0.000 0.194 199 E C 1.704 178.325 176.600 0.035 0.000 0.997 199 E CA 1.076 57.526 56.400 0.085 0.000 0.845 199 E CB -0.702 29.029 29.700 0.053 0.000 0.782 199 E HN 0.548 nan 8.360 nan 0.000 0.491 200 E N 0.458 120.667 120.200 0.015 0.000 2.107 200 E HA -0.115 4.236 4.350 0.001 0.000 0.191 200 E C 1.943 178.542 176.600 -0.001 0.000 0.982 200 E CA 1.065 57.460 56.400 -0.009 0.000 0.809 200 E CB -0.119 29.563 29.700 -0.031 0.000 0.756 200 E HN 0.101 nan 8.360 nan 0.000 0.459 201 M N 0.658 120.265 119.600 0.012 0.000 2.156 201 M HA -0.099 4.382 4.480 0.001 0.000 0.264 201 M C 1.806 178.126 176.300 0.033 0.000 1.067 201 M CA 1.172 56.484 55.300 0.020 0.000 1.131 201 M CB -0.058 32.557 32.600 0.026 0.000 1.368 201 M HN 0.044 nan 8.290 nan 0.000 0.416 202 L N 0.136 121.390 121.223 0.050 0.000 2.043 202 L HA -0.217 4.124 4.340 0.001 0.000 0.212 202 L C 2.382 179.263 176.870 0.018 0.000 1.075 202 L CA 1.970 56.833 54.840 0.038 0.000 0.752 202 L CB -1.695 40.388 42.059 0.040 0.000 0.891 202 L HN 0.393 nan 8.230 nan 0.000 0.432 203 E N -0.482 119.724 120.200 0.011 0.000 2.072 203 E HA -0.125 4.226 4.350 0.001 0.000 0.190 203 E C 2.363 178.963 176.600 0.000 0.000 0.982 203 E CA 0.686 57.085 56.400 -0.002 0.000 0.803 203 E CB -0.099 29.593 29.700 -0.013 0.000 0.755 203 E HN 0.360 nan 8.360 nan 0.000 0.453 204 L N -0.215 121.011 121.223 0.004 0.000 2.046 204 L HA -0.108 4.232 4.340 0.001 0.000 0.208 204 L C 2.285 179.164 176.870 0.016 0.000 1.077 204 L CA 1.184 56.031 54.840 0.011 0.000 0.747 204 L CB -0.389 41.678 42.059 0.014 0.000 0.896 204 L HN 0.164 nan 8.230 nan 0.000 0.432 205 A N -0.485 122.345 122.820 0.016 0.000 2.168 205 A HA 0.036 4.357 4.320 0.001 0.000 0.215 205 A C 2.335 179.926 177.584 0.012 0.000 1.152 205 A CA 1.281 53.328 52.037 0.016 0.000 0.716 205 A CB -0.450 18.561 19.000 0.017 0.000 0.794 205 A HN 0.394 nan 8.150 nan 0.000 0.465 206 A N -0.428 122.398 122.820 0.009 0.000 2.081 206 A HA 0.270 4.591 4.320 0.001 0.000 0.214 206 A C 1.411 179.000 177.584 0.008 0.000 1.158 206 A CA 1.282 53.323 52.037 0.006 0.000 0.724 206 A CB -0.279 18.721 19.000 0.000 0.000 0.826 206 A HN 1.126 nan 8.150 nan 0.000 0.463 207 V N -4.785 115.135 119.914 0.011 0.000 2.854 207 V HA 0.695 4.816 4.120 0.001 0.000 0.366 207 V C 0.641 176.748 176.094 0.020 0.000 1.322 207 V CA 0.409 62.717 62.300 0.014 0.000 1.243 207 V CB -0.655 31.175 31.823 0.011 0.000 1.337 207 V HN 1.082 nan 8.190 nan 0.000 0.585 208 G N 0.632 109.444 108.800 0.020 0.000 3.180 208 G HA2 -0.230 3.731 3.960 0.001 0.000 0.197 208 G HA3 -0.230 3.731 3.960 0.001 0.000 0.197 208 G C 0.653 175.567 174.900 0.022 0.000 1.149 208 G CA 0.114 45.227 45.100 0.021 0.000 0.847 208 G HN 1.053 nan 8.290 nan 0.000 0.469 209 S N 1.531 117.246 115.700 0.026 0.000 4.117 209 S HA 0.339 4.810 4.470 0.001 0.000 0.191 209 S C 0.555 175.171 174.600 0.028 0.000 1.308 209 S CA 0.398 58.616 58.200 0.031 0.000 0.906 209 S CB -0.561 62.663 63.200 0.040 0.000 1.565 209 S HN 0.366 nan 8.310 nan 0.000 0.439 210 K N 3.890 124.304 120.400 0.023 0.000 2.222 210 K HA 0.212 4.533 4.320 0.001 0.000 0.243 210 K C 0.738 177.350 176.600 0.021 0.000 1.160 210 K CA -0.421 55.878 56.287 0.019 0.000 1.090 210 K CB -0.042 32.467 32.500 0.016 0.000 1.694 210 K HN 0.436 nan 8.250 nan 0.000 0.361 211 I N 1.767 122.351 120.570 0.023 0.000 2.277 211 I HA -0.082 4.089 4.170 0.001 0.000 0.243 211 I C 0.902 177.028 176.117 0.015 0.000 1.094 211 I CA 0.803 62.118 61.300 0.024 0.000 1.393 211 I CB -0.555 37.462 38.000 0.028 0.000 1.078 211 I HN 0.371 nan 8.210 nan 0.000 0.417 212 L N 0.532 121.761 121.223 0.009 0.000 2.332 212 L HA 0.386 4.726 4.340 0.001 0.000 0.269 212 L C 0.013 176.881 176.870 -0.003 0.000 1.016 212 L CA -0.829 54.011 54.840 0.001 0.000 0.809 212 L CB 1.476 43.536 42.059 0.002 0.000 1.280 212 L HN -0.092 nan 8.230 nan 0.000 0.447 213 V N 0.320 120.223 119.914 -0.017 0.000 2.432 213 V HA 0.229 4.350 4.120 0.001 0.000 0.271 213 V C 1.384 177.456 176.094 -0.037 0.000 1.046 213 V CA -0.359 61.924 62.300 -0.029 0.000 0.945 213 V CB 0.524 32.319 31.823 -0.047 0.000 0.992 213 V HN 0.709 nan 8.190 nan 0.000 0.471 214 L N 2.919 124.128 121.223 -0.023 0.000 2.171 214 L HA -0.243 4.098 4.340 0.001 0.000 0.216 214 L C 2.680 179.531 176.870 -0.032 0.000 1.084 214 L CA 1.932 56.764 54.840 -0.015 0.000 0.771 214 L CB -0.401 41.654 42.059 -0.007 0.000 0.890 214 L HN 0.703 nan 8.230 nan 0.000 0.437 215 R N -0.465 119.987 120.500 -0.080 0.000 2.090 215 R HA -0.073 4.268 4.340 0.001 0.000 0.228 215 R C 2.537 178.664 176.300 -0.288 0.000 1.110 215 R CA 1.385 57.398 56.100 -0.144 0.000 0.973 215 R CB -1.172 29.014 30.300 -0.190 0.000 0.869 215 R HN 0.524 nan 8.270 nan 0.000 0.440 216 S N -0.183 115.359 115.700 -0.263 0.000 2.414 216 S HA -0.019 4.452 4.470 0.001 0.000 0.227 216 S C 1.997 176.584 174.600 -0.021 0.000 1.022 216 S CA 0.770 58.832 58.200 -0.231 0.000 0.958 216 S CB -0.448 62.655 63.200 -0.162 0.000 0.797 216 S HN 0.023 nan 8.310 nan 0.000 0.493 217 V N 2.135 122.054 119.914 0.009 0.000 2.626 217 V HA -0.095 4.026 4.120 0.001 0.000 0.252 217 V C 2.813 178.944 176.094 0.063 0.000 1.067 217 V CA 2.090 64.437 62.300 0.078 0.000 1.081 217 V CB -0.901 30.971 31.823 0.082 0.000 0.686 217 V HN 0.567 nan 8.190 nan 0.000 0.468 218 E N -0.029 120.207 120.200 0.060 0.000 2.046 218 E HA -0.184 4.167 4.350 0.001 0.000 0.190 218 E C 2.061 178.741 176.600 0.133 0.000 0.982 218 E CA 1.569 58.011 56.400 0.070 0.000 0.800 218 E CB -0.471 29.292 29.700 0.105 0.000 0.756 218 E HN 0.686 nan 8.360 nan 0.000 0.449 219 Y N -0.087 120.211 120.300 -0.004 0.000 2.165 219 Y HA -0.224 4.327 4.550 0.002 0.000 0.286 219 Y C 2.365 178.310 175.900 0.075 0.000 1.155 219 Y CA 0.424 58.586 58.100 0.103 0.000 1.164 219 Y CB -0.212 38.327 38.460 0.131 0.000 0.978 219 Y HN 0.216 nan 8.280 nan 0.000 0.513 220 A N 0.327 123.235 122.820 0.147 0.000 1.972 220 A HA -0.224 4.097 4.320 0.001 0.000 0.219 220 A C 2.146 179.367 177.584 -0.606 0.000 1.169 220 A CA 1.708 53.740 52.037 -0.007 0.000 0.635 220 A CB -0.662 18.435 19.000 0.162 0.000 0.810 220 A HN 0.445 nan 8.150 nan 0.000 0.446 221 R N -0.407 119.644 120.500 -0.749 0.000 2.066 221 R HA -0.021 4.320 4.340 0.001 0.000 0.232 221 R C 2.210 178.112 176.300 -0.664 0.000 1.131 221 R CA 1.370 56.792 56.100 -1.130 0.000 0.955 221 R CB -0.390 29.595 30.300 -0.526 0.000 0.851 221 R HN 0.391 nan 8.270 nan 0.000 0.432 222 A N -0.377 122.157 122.820 -0.477 0.000 2.067 222 A HA -0.044 4.277 4.320 0.001 0.000 0.219 222 A C 1.058 178.156 177.584 -0.810 0.000 1.158 222 A CA 0.832 52.492 52.037 -0.628 0.000 0.661 222 A CB -0.149 18.394 19.000 -0.762 0.000 0.801 222 A HN 0.411 nan 8.150 nan 0.000 0.452 223 F N -1.542 118.295 119.950 -0.188 0.000 2.683 223 F HA 0.274 4.801 4.527 0.001 0.000 0.306 223 F C 0.696 176.442 175.800 -0.089 0.000 1.102 223 F CA -0.414 57.516 58.000 -0.117 0.000 1.244 223 F CB -0.406 38.541 39.000 -0.087 0.000 1.029 223 F HN 0.238 nan 8.300 nan 0.000 0.545 224 N N 1.135 119.796 118.700 -0.065 0.000 2.725 224 N HA -0.190 4.551 4.740 0.001 0.000 0.251 224 N C -1.101 174.543 175.510 0.223 0.000 1.031 224 N CA 0.183 53.274 53.050 0.068 0.000 0.720 224 N CB -0.992 37.562 38.487 0.112 0.000 0.930 224 N HN 0.023 nan 8.380 nan 0.000 0.543 225 V N 1.774 121.815 119.914 0.211 0.000 2.339 225 V HA 0.325 4.446 4.120 0.001 0.000 0.261 225 V C -1.785 174.526 176.094 0.361 0.000 1.058 225 V CA -1.293 61.147 62.300 0.233 0.000 0.897 225 V CB 1.048 32.973 31.823 0.169 0.000 1.052 225 V HN 0.217 nan 8.190 nan 0.000 0.480 226 P HA 0.216 nan 4.420 nan 0.000 0.268 226 P C -0.637 176.718 177.300 0.093 0.000 1.204 226 P CA 0.137 63.316 63.100 0.133 0.000 0.768 226 P CB 0.552 32.274 31.700 0.037 0.000 0.842 227 L N 3.213 124.466 121.223 0.051 0.000 2.334 227 L HA 0.615 4.956 4.340 0.001 0.000 0.273 227 L C 0.587 177.424 176.870 -0.055 0.000 1.013 227 L CA -0.819 54.031 54.840 0.016 0.000 0.816 227 L CB 2.089 44.179 42.059 0.052 0.000 1.278 227 L HN 0.277 nan 8.230 nan 0.000 0.431 228 R N 1.381 121.826 120.500 -0.090 0.000 2.451 228 R HA 0.522 4.862 4.340 0.001 0.000 0.307 228 R C -1.471 174.714 176.300 -0.192 0.000 0.965 228 R CA -0.544 55.475 56.100 -0.135 0.000 0.865 228 R CB 1.945 32.161 30.300 -0.140 0.000 1.174 228 R HN 0.416 nan 8.270 nan 0.000 0.455 229 V N 5.824 125.644 119.914 -0.157 0.000 2.408 229 V HA 0.410 4.531 4.120 0.001 0.000 0.267 229 V C 0.247 176.234 176.094 -0.177 0.000 1.047 229 V CA -0.017 62.190 62.300 -0.154 0.000 0.937 229 V CB 0.920 32.693 31.823 -0.083 0.000 0.999 229 V HN 0.740 nan 8.190 nan 0.000 0.472 230 R N 2.702 123.043 120.500 -0.265 0.000 2.836 230 R HA 0.608 4.949 4.340 0.001 0.000 0.269 230 R C -0.743 175.521 176.300 -0.061 0.000 1.010 230 R CA -0.694 55.269 56.100 -0.230 0.000 0.930 230 R CB 2.086 32.102 30.300 -0.475 0.000 1.218 230 R HN 0.583 nan 8.270 nan 0.000 0.473 231 S N -0.165 115.598 115.700 0.104 0.000 2.508 231 S HA 0.115 4.585 4.470 0.001 0.000 0.284 231 S C 0.836 175.684 174.600 0.413 0.000 1.192 231 S CA -0.564 57.787 58.200 0.253 0.000 1.070 231 S CB 1.082 64.410 63.200 0.214 0.000 1.004 231 S HN 0.671 nan 8.310 nan 0.000 0.493 232 S N 3.950 119.928 115.700 0.464 0.000 2.558 232 S HA 0.090 4.561 4.470 0.001 0.000 0.217 232 S C 0.908 175.561 174.600 0.088 0.000 0.975 232 S CA 0.030 58.412 58.200 0.304 0.000 0.912 232 S CB -0.496 62.842 63.200 0.230 0.000 0.776 232 S HN 0.833 nan 8.310 nan 0.000 0.526 233 Y N 2.743 123.121 120.300 0.130 0.000 2.503 233 Y HA 0.273 4.823 4.550 0.001 0.000 0.278 233 Y C 1.636 177.583 175.900 0.078 0.000 1.111 233 Y CA 0.240 58.391 58.100 0.084 0.000 1.270 233 Y CB 0.294 38.796 38.460 0.070 0.000 1.063 233 Y HN 0.467 nan 8.280 nan 0.000 0.548 234 S N -1.208 114.635 115.700 0.239 0.000 2.745 234 S HA 0.342 4.813 4.470 0.001 0.000 0.306 234 S C -0.122 174.564 174.600 0.144 0.000 1.137 234 S CA -0.931 57.366 58.200 0.161 0.000 0.900 234 S CB 1.385 64.670 63.200 0.142 0.000 1.176 234 S HN 0.093 nan 8.310 nan 0.000 0.520 235 N N 1.320 120.085 118.700 0.108 0.000 2.273 235 N HA 0.177 4.917 4.740 0.001 0.000 0.231 235 N C -0.822 174.736 175.510 0.079 0.000 1.134 235 N CA -0.079 53.030 53.050 0.098 0.000 0.856 235 N CB 0.099 38.630 38.487 0.074 0.000 1.068 235 N HN 0.719 nan 8.380 nan 0.000 0.510 236 D N 1.473 121.920 120.400 0.078 0.000 2.424 236 D HA 0.047 4.688 4.640 0.001 0.000 0.244 236 D C -1.495 174.826 176.300 0.035 0.000 1.134 236 D CA -1.241 52.790 54.000 0.050 0.000 0.881 236 D CB 2.032 42.862 40.800 0.050 0.000 1.191 236 D HN 0.022 nan 8.370 nan 0.000 0.445 237 P HA 0.058 nan 4.420 nan 0.000 0.226 237 P C 0.685 177.956 177.300 -0.048 0.000 1.153 237 P CA 0.782 63.875 63.100 -0.012 0.000 0.777 237 P CB 0.062 31.753 31.700 -0.016 0.000 0.794 238 G N -1.185 107.584 108.800 -0.052 0.000 2.593 238 G HA2 -0.182 3.779 3.960 0.001 0.000 0.237 238 G HA3 -0.182 3.779 3.960 0.001 0.000 0.237 238 G C -0.526 174.309 174.900 -0.108 0.000 1.312 238 G CA -0.202 44.848 45.100 -0.084 0.000 0.896 238 G HN 0.209 nan 8.290 nan 0.000 0.574 239 T N 0.707 115.188 114.554 -0.121 0.000 2.824 239 T HA 0.538 4.889 4.350 0.001 0.000 0.280 239 T C -0.021 174.611 174.700 -0.114 0.000 0.995 239 T CA -0.249 61.777 62.100 -0.124 0.000 1.009 239 T CB 1.692 70.481 68.868 -0.131 0.000 0.955 239 T HN 0.859 nan 8.240 nan 0.000 0.452 240 L N 4.192 125.349 121.223 -0.111 0.000 2.290 240 L HA 0.515 4.856 4.340 0.001 0.000 0.284 240 L C -0.850 175.933 176.870 -0.144 0.000 1.078 240 L CA -0.286 54.483 54.840 -0.117 0.000 0.815 240 L CB 0.203 42.197 42.059 -0.108 0.000 1.162 240 L HN 0.552 nan 8.230 nan 0.000 0.435 241 I N 6.107 126.580 120.570 -0.161 0.000 2.291 241 I HA 0.378 4.549 4.170 0.001 0.000 0.290 241 I C 0.878 176.717 176.117 -0.464 0.000 1.050 241 I CA 0.224 61.382 61.300 -0.236 0.000 1.245 241 I CB 1.015 38.934 38.000 -0.136 0.000 1.405 241 I HN 0.865 nan 8.210 nan 0.000 0.478 242 A N 5.069 127.576 122.820 -0.522 0.000 3.656 242 A HA 0.739 5.060 4.320 0.001 0.000 0.151 242 A C 1.026 178.151 177.584 -0.766 0.000 1.657 242 A CA 0.618 52.368 52.037 -0.479 0.000 1.148 242 A CB -0.862 17.968 19.000 -0.283 0.000 1.569 242 A HN 0.612 nan 8.150 nan 0.000 0.709 243 G N -1.665 106.876 108.800 -0.431 0.000 2.828 243 G HA2 0.459 4.420 3.960 0.001 0.000 0.244 243 G HA3 0.459 4.420 3.960 0.001 0.000 0.244 243 G C -0.016 174.870 174.900 -0.023 0.000 1.365 243 G CA 0.451 45.454 45.100 -0.162 0.000 1.041 243 G HN 0.814 nan 8.290 nan 0.000 0.560 244 S N -0.911 114.899 115.700 0.182 0.000 2.592 244 S HA 0.165 4.636 4.470 0.001 0.000 0.271 244 S C 1.804 176.436 174.600 0.055 0.000 1.326 244 S CA 0.122 58.426 58.200 0.175 0.000 1.024 244 S CB 0.608 63.889 63.200 0.135 0.000 0.921 244 S HN 0.582 nan 8.310 nan 0.000 0.527 245 M N 2.595 122.219 119.600 0.040 0.000 2.394 245 M HA 0.142 4.622 4.480 0.001 0.000 0.264 245 M C 1.628 177.925 176.300 -0.005 0.000 1.073 245 M CA 1.836 57.137 55.300 0.001 0.000 1.111 245 M CB -1.073 31.522 32.600 -0.008 0.000 1.401 245 M HN 0.652 nan 8.290 nan 0.000 0.448 246 E N 1.606 121.809 120.200 0.004 0.000 2.268 246 E HA -0.148 4.203 4.350 0.001 0.000 0.195 246 E C 1.082 177.681 176.600 -0.002 0.000 0.995 246 E CA 1.592 57.989 56.400 -0.004 0.000 0.836 246 E CB -0.758 28.941 29.700 -0.003 0.000 0.763 246 E HN 0.760 nan 8.360 nan 0.000 0.491 247 D N -0.895 119.508 120.400 0.005 0.000 2.363 247 D HA 0.211 4.851 4.640 0.001 0.000 0.214 247 D C 0.256 176.553 176.300 -0.005 0.000 1.093 247 D CA -0.301 53.700 54.000 0.003 0.000 0.837 247 D CB 0.243 41.051 40.800 0.013 0.000 0.948 247 D HN 0.422 nan 8.370 nan 0.000 0.507 248 I N 2.348 122.911 120.570 -0.012 0.000 2.588 248 I HA 0.047 4.217 4.170 0.001 0.000 0.283 248 I C -1.869 174.241 176.117 -0.012 0.000 1.119 248 I CA -1.509 59.781 61.300 -0.018 0.000 1.419 248 I CB 0.443 38.428 38.000 -0.024 0.000 1.394 248 I HN -0.353 nan 8.210 nan 0.000 0.562 249 P HA -0.055 nan 4.420 nan 0.000 0.263 249 P C 0.739 178.040 177.300 0.002 0.000 1.195 249 P CA 0.086 63.184 63.100 -0.003 0.000 0.762 249 P CB 0.782 32.480 31.700 -0.003 0.000 0.799 250 V N 3.442 123.359 119.914 0.006 0.000 2.332 250 V HA -0.288 3.833 4.120 0.001 0.000 0.248 250 V C 2.172 178.289 176.094 0.038 0.000 1.055 250 V CA 2.899 65.205 62.300 0.011 0.000 1.038 250 V CB -1.107 30.725 31.823 0.014 0.000 0.651 250 V HN 0.649 nan 8.190 nan 0.000 0.450 251 E N -0.883 119.342 120.200 0.043 0.000 2.489 251 E HA 0.081 4.432 4.350 0.001 0.000 0.193 251 E C 1.749 178.378 176.600 0.048 0.000 1.057 251 E CA 1.200 57.636 56.400 0.060 0.000 0.866 251 E CB -0.729 28.995 29.700 0.040 0.000 0.916 251 E HN 0.928 nan 8.360 nan 0.000 0.500 252 E N 0.071 120.288 120.200 0.030 0.000 2.170 252 E HA 0.513 4.864 4.350 0.001 0.000 0.191 252 E C 1.698 178.312 176.600 0.023 0.000 0.981 252 E CA 0.403 56.814 56.400 0.019 0.000 0.830 252 E CB -0.395 29.307 29.700 0.002 0.000 0.775 252 E HN 0.984 nan 8.360 nan 0.000 0.470 253 A N 0.810 123.643 122.820 0.021 0.000 2.524 253 A HA 0.448 4.768 4.320 0.001 0.000 0.271 253 A C 0.416 178.021 177.584 0.034 0.000 1.097 253 A CA 0.749 52.789 52.037 0.004 0.000 0.791 253 A CB -0.498 18.484 19.000 -0.029 0.000 1.028 253 A HN 0.696 nan 8.150 nan 0.000 0.518 254 V N 3.970 123.894 119.914 0.016 0.000 3.184 254 V HA 0.594 4.715 4.120 0.001 0.000 0.308 254 V C -0.138 175.951 176.094 -0.008 0.000 1.243 254 V CA -1.094 61.226 62.300 0.032 0.000 1.058 254 V CB 1.925 33.764 31.823 0.027 0.000 1.183 254 V HN 0.725 nan 8.190 nan 0.000 0.471 255 L N 1.756 122.969 121.223 -0.016 0.000 2.290 255 L HA 0.350 4.691 4.340 0.001 0.000 0.284 255 L C 1.109 177.932 176.870 -0.079 0.000 1.078 255 L CA 0.026 54.816 54.840 -0.083 0.000 0.815 255 L CB 1.292 43.260 42.059 -0.151 0.000 1.162 255 L HN 0.768 nan 8.230 nan 0.000 0.435 256 T N 1.112 115.615 114.554 -0.085 0.000 2.953 256 T HA 0.246 4.596 4.350 0.001 0.000 0.247 256 T C 0.560 175.219 174.700 -0.069 0.000 1.029 256 T CA 0.565 62.625 62.100 -0.066 0.000 1.144 256 T CB 0.491 69.327 68.868 -0.055 0.000 0.870 256 T HN 0.798 nan 8.240 nan 0.000 0.446 257 G N 0.149 108.904 108.800 -0.076 0.000 2.519 257 G HA2 0.487 4.448 3.960 0.001 0.000 0.292 257 G HA3 0.487 4.448 3.960 0.001 0.000 0.292 257 G C -1.858 173.026 174.900 -0.026 0.000 1.507 257 G CA -0.716 44.356 45.100 -0.047 0.000 0.806 257 G HN 0.117 nan 8.290 nan 0.000 0.523 258 V N 0.431 120.356 119.914 0.018 0.000 2.481 258 V HA 0.794 4.914 4.120 0.001 0.000 0.286 258 V C 0.753 176.893 176.094 0.077 0.000 1.042 258 V CA 0.212 62.550 62.300 0.063 0.000 0.928 258 V CB 1.015 32.903 31.823 0.108 0.000 0.986 258 V HN 1.377 nan 8.190 nan 0.000 0.462 259 A N 3.258 126.119 122.820 0.069 0.000 2.437 259 A HA 0.967 5.287 4.320 0.001 0.000 0.292 259 A C -0.327 177.292 177.584 0.058 0.000 1.173 259 A CA -0.572 51.501 52.037 0.059 0.000 0.785 259 A CB 2.315 21.341 19.000 0.045 0.000 1.351 259 A HN 0.765 nan 8.150 nan 0.000 0.431 260 T N -0.772 113.808 114.554 0.044 0.000 2.821 260 T HA 0.577 4.927 4.350 0.001 0.000 0.306 260 T C -2.535 172.181 174.700 0.027 0.000 1.313 260 T CA -0.316 61.806 62.100 0.037 0.000 1.012 260 T CB 1.804 70.690 68.868 0.031 0.000 1.298 260 T HN 0.902 nan 8.240 nan 0.000 0.502 261 D N 1.182 121.596 120.400 0.022 0.000 2.804 261 D HA 0.293 4.933 4.640 0.001 0.000 0.209 261 D C -0.308 175.998 176.300 0.009 0.000 1.314 261 D CA -0.508 53.501 54.000 0.016 0.000 0.894 261 D CB 1.283 42.093 40.800 0.017 0.000 1.615 261 D HN 0.659 nan 8.370 nan 0.000 0.571 262 K N 0.880 121.283 120.400 0.005 0.000 2.478 262 K HA 0.206 4.527 4.320 0.001 0.000 0.205 262 K C 0.682 177.281 176.600 -0.002 0.000 1.033 262 K CA -0.283 56.003 56.287 -0.001 0.000 1.091 262 K CB 0.425 32.923 32.500 -0.003 0.000 0.844 262 K HN 0.135 nan 8.250 nan 0.000 0.507 263 S N -0.459 115.244 115.700 0.004 0.000 2.593 263 S HA 0.082 4.553 4.470 0.001 0.000 0.217 263 S C 0.124 174.729 174.600 0.009 0.000 0.966 263 S CA -0.165 58.040 58.200 0.010 0.000 0.914 263 S CB -0.048 63.162 63.200 0.016 0.000 0.776 263 S HN 0.253 nan 8.310 nan 0.000 0.523 264 E N 0.954 121.153 120.200 -0.003 0.000 2.212 264 E HA 0.794 5.144 4.350 0.001 0.000 0.270 264 E C -0.651 175.916 176.600 -0.055 0.000 0.956 264 E CA -0.355 56.039 56.400 -0.010 0.000 0.825 264 E CB 1.849 31.546 29.700 -0.006 0.000 1.167 264 E HN 0.391 nan 8.360 nan 0.000 0.400 265 A N 2.418 125.193 122.820 -0.075 0.000 2.340 265 A HA 0.590 4.910 4.320 0.001 0.000 0.331 265 A C -0.904 176.549 177.584 -0.218 0.000 1.140 265 A CA -0.657 51.259 52.037 -0.202 0.000 0.801 265 A CB 0.953 19.813 19.000 -0.233 0.000 1.234 265 A HN 0.445 nan 8.150 nan 0.000 0.469 266 K N 1.869 122.086 120.400 -0.304 0.000 2.235 266 K HA 0.601 4.922 4.320 0.001 0.000 0.266 266 K C -1.669 174.702 176.600 -0.382 0.000 0.980 266 K CA -0.328 55.783 56.287 -0.293 0.000 0.849 266 K CB 1.297 33.673 32.500 -0.205 0.000 1.098 266 K HN 0.418 nan 8.250 nan 0.000 0.445 267 V N 3.462 123.035 119.914 -0.569 0.000 2.448 267 V HA 0.351 4.472 4.120 0.001 0.000 0.295 267 V C -0.565 175.222 176.094 -0.513 0.000 1.025 267 V CA -0.669 61.271 62.300 -0.600 0.000 0.859 267 V CB 1.876 33.086 31.823 -1.022 0.000 0.988 267 V HN 0.854 nan 8.190 nan 0.000 0.431 268 T N 4.128 118.530 114.554 -0.254 0.000 2.812 268 T HA 0.507 4.858 4.350 0.001 0.000 0.282 268 T C -0.457 174.152 174.700 -0.150 0.000 0.990 268 T CA -0.385 61.618 62.100 -0.162 0.000 0.960 268 T CB 1.656 70.461 68.868 -0.105 0.000 0.948 268 T HN 0.311 nan 8.240 nan 0.000 0.438 269 V N 5.345 125.143 119.914 -0.193 0.000 2.350 269 V HA 0.407 4.527 4.120 0.001 0.000 0.276 269 V C -0.100 175.863 176.094 -0.219 0.000 1.028 269 V CA -0.689 61.400 62.300 -0.352 0.000 0.860 269 V CB 0.864 32.259 31.823 -0.713 0.000 0.990 269 V HN 0.719 nan 8.190 nan 0.000 0.453 270 L N 4.123 125.279 121.223 -0.113 0.000 2.307 270 L HA 0.682 5.023 4.340 0.001 0.000 0.282 270 L C 1.179 178.089 176.870 0.066 0.000 1.051 270 L CA -0.069 54.765 54.840 -0.010 0.000 0.804 270 L CB 1.356 43.429 42.059 0.023 0.000 1.197 270 L HN 0.868 nan 8.230 nan 0.000 0.431 271 G N 3.169 112.007 108.800 0.064 0.000 2.225 271 G HA2 -0.254 3.706 3.960 0.001 0.000 0.264 271 G HA3 -0.254 3.706 3.960 0.001 0.000 0.264 271 G C -0.232 174.757 174.900 0.149 0.000 1.060 271 G CA -0.395 44.765 45.100 0.101 0.000 0.833 271 G HN 0.418 nan 8.290 nan 0.000 0.498 272 I N 1.675 122.320 120.570 0.125 0.000 2.529 272 I HA 0.355 4.526 4.170 0.001 0.000 0.284 272 I C 1.371 177.557 176.117 0.116 0.000 1.082 272 I CA 0.235 61.636 61.300 0.168 0.000 1.406 272 I CB 1.305 39.366 38.000 0.101 0.000 1.405 272 I HN 0.401 nan 8.210 nan 0.000 0.548 273 S N 2.924 118.696 115.700 0.119 0.000 2.516 273 S HA 0.026 4.497 4.470 0.001 0.000 0.282 273 S C 0.227 174.868 174.600 0.068 0.000 1.286 273 S CA -0.738 57.510 58.200 0.079 0.000 1.066 273 S CB 0.506 63.747 63.200 0.068 0.000 0.884 273 S HN 0.622 nan 8.310 nan 0.000 0.491 274 D N 1.923 122.354 120.400 0.052 0.000 2.767 274 D HA 0.158 4.799 4.640 0.001 0.000 0.231 274 D C -0.025 176.299 176.300 0.039 0.000 1.105 274 D CA 0.177 54.204 54.000 0.044 0.000 1.024 274 D CB -0.444 40.378 40.800 0.035 0.000 1.123 274 D HN 0.661 nan 8.370 nan 0.000 0.470 275 K N 1.054 121.481 120.400 0.045 0.000 2.426 275 K HA 0.534 4.855 4.320 0.001 0.000 0.251 275 K C -2.788 173.838 176.600 0.043 0.000 0.941 275 K CA -2.019 54.292 56.287 0.039 0.000 0.808 275 K CB 1.660 34.182 32.500 0.037 0.000 1.265 275 K HN -0.153 nan 8.250 nan 0.000 0.432 276 P HA 0.057 nan 4.420 nan 0.000 0.266 276 P C 0.287 177.612 177.300 0.042 0.000 1.193 276 P CA 1.043 64.165 63.100 0.037 0.000 0.770 276 P CB 0.565 32.281 31.700 0.027 0.000 0.836 277 G N 1.409 110.238 108.800 0.049 0.000 2.213 277 G HA2 -0.257 3.704 3.960 0.001 0.000 0.236 277 G HA3 -0.257 3.704 3.960 0.001 0.000 0.236 277 G C 1.084 176.028 174.900 0.073 0.000 0.991 277 G CA 0.403 45.535 45.100 0.054 0.000 0.629 277 G HN 0.504 nan 8.290 nan 0.000 0.517 278 E N 0.518 120.768 120.200 0.084 0.000 2.057 278 E HA 0.493 4.844 4.350 0.001 0.000 0.190 278 E C 2.851 179.521 176.600 0.118 0.000 0.969 278 E CA 1.755 58.222 56.400 0.112 0.000 0.812 278 E CB -0.569 29.199 29.700 0.114 0.000 0.777 278 E HN 0.741 nan 8.360 nan 0.000 0.455 279 A N 1.205 124.096 122.820 0.117 0.000 1.892 279 A HA -0.219 4.102 4.320 0.001 0.000 0.218 279 A C 2.403 180.122 177.584 0.224 0.000 1.188 279 A CA 2.374 54.514 52.037 0.172 0.000 0.631 279 A CB -1.159 17.984 19.000 0.239 0.000 0.822 279 A HN 0.308 nan 8.150 nan 0.000 0.447 280 A N -0.528 122.399 122.820 0.179 0.000 1.903 280 A HA -0.167 4.154 4.320 0.001 0.000 0.219 280 A C 2.409 180.068 177.584 0.125 0.000 1.191 280 A CA 3.676 55.805 52.037 0.154 0.000 0.638 280 A CB -1.174 17.883 19.000 0.095 0.000 0.823 280 A HN 0.876 nan 8.150 nan 0.000 0.451 281 K N -0.849 119.614 120.400 0.106 0.000 2.057 281 K HA 0.004 4.325 4.320 0.001 0.000 0.207 281 K C 2.085 178.745 176.600 0.099 0.000 1.049 281 K CA 1.775 58.126 56.287 0.107 0.000 0.931 281 K CB -1.565 31.017 32.500 0.136 0.000 0.714 281 K HN 0.384 nan 8.250 nan 0.000 0.440 282 V N -0.148 119.778 119.914 0.020 0.000 2.287 282 V HA -0.175 3.945 4.120 0.001 0.000 0.248 282 V C 2.406 178.270 176.094 -0.383 0.000 1.053 282 V CA 1.943 64.091 62.300 -0.254 0.000 1.027 282 V CB -0.660 30.733 31.823 -0.717 0.000 0.646 282 V HN 0.580 nan 8.190 nan 0.000 0.447 283 F N -0.963 118.942 119.950 -0.074 0.000 2.569 283 F HA 0.128 4.655 4.527 0.001 0.000 0.295 283 F C 2.410 178.170 175.800 -0.066 0.000 1.115 283 F CA 0.404 58.330 58.000 -0.122 0.000 1.450 283 F CB -0.388 38.532 39.000 -0.134 0.000 1.107 283 F HN -0.075 nan 8.300 nan 0.000 0.563 284 R N 1.118 121.684 120.500 0.110 0.000 2.070 284 R HA -0.059 4.282 4.340 0.001 0.000 0.233 284 R C 2.328 178.656 176.300 0.046 0.000 1.137 284 R CA 1.501 57.643 56.100 0.070 0.000 0.945 284 R CB -1.069 29.267 30.300 0.060 0.000 0.845 284 R HN 0.255 nan 8.270 nan 0.000 0.430 285 A N 0.839 123.681 122.820 0.037 0.000 1.940 285 A HA -0.131 4.190 4.320 0.001 0.000 0.219 285 A C 2.462 180.057 177.584 0.018 0.000 1.176 285 A CA 1.335 53.392 52.037 0.033 0.000 0.631 285 A CB -0.509 18.526 19.000 0.058 0.000 0.814 285 A HN 0.302 nan 8.150 nan 0.000 0.446 286 L N -1.159 120.056 121.223 -0.014 0.000 2.044 286 L HA -0.105 4.236 4.340 0.001 0.000 0.205 286 L C 3.119 180.000 176.870 0.018 0.000 1.075 286 L CA 0.901 55.729 54.840 -0.020 0.000 0.747 286 L CB -0.667 41.321 42.059 -0.119 0.000 0.903 286 L HN 0.411 nan 8.230 nan 0.000 0.435 287 A N 0.020 122.862 122.820 0.036 0.000 1.948 287 A HA -0.283 4.038 4.320 0.001 0.000 0.220 287 A C 1.907 179.509 177.584 0.029 0.000 1.177 287 A CA 2.224 54.282 52.037 0.035 0.000 0.636 287 A CB -0.601 18.424 19.000 0.041 0.000 0.815 287 A HN 0.367 nan 8.150 nan 0.000 0.449 288 D N -0.163 120.254 120.400 0.029 0.000 2.097 288 D HA -0.045 4.596 4.640 0.001 0.000 0.195 288 D C 1.953 178.268 176.300 0.025 0.000 0.989 288 D CA 1.650 55.666 54.000 0.026 0.000 0.827 288 D CB -0.321 40.494 40.800 0.025 0.000 0.966 288 D HN 0.428 nan 8.370 nan 0.000 0.456 289 A N -0.297 122.540 122.820 0.028 0.000 2.259 289 A HA 0.332 4.653 4.320 0.001 0.000 0.208 289 A C 1.137 178.741 177.584 0.033 0.000 1.201 289 A CA 1.541 53.596 52.037 0.031 0.000 0.824 289 A CB -0.784 18.237 19.000 0.036 0.000 0.838 289 A HN 0.274 nan 8.150 nan 0.000 0.485 290 E N -0.528 119.690 120.200 0.031 0.000 2.971 290 E HA -0.230 4.121 4.350 0.001 0.000 0.278 290 E C 0.191 176.815 176.600 0.041 0.000 1.009 290 E CA 1.162 57.581 56.400 0.032 0.000 0.862 290 E CB -2.994 26.723 29.700 0.029 0.000 1.436 290 E HN 1.561 nan 8.360 nan 0.000 0.434 291 I N -1.669 118.930 120.570 0.049 0.000 2.416 291 I HA 0.558 4.729 4.170 0.001 0.000 0.288 291 I C -0.024 176.134 176.117 0.069 0.000 1.051 291 I CA -0.761 60.582 61.300 0.071 0.000 1.375 291 I CB 0.904 38.964 38.000 0.099 0.000 1.407 291 I HN 0.103 nan 8.210 nan 0.000 0.516 292 N N 5.984 124.731 118.700 0.078 0.000 2.525 292 N HA 0.466 5.206 4.740 0.001 0.000 0.271 292 N C -0.703 174.867 175.510 0.101 0.000 1.194 292 N CA -0.158 52.933 53.050 0.069 0.000 0.964 292 N CB 1.169 39.692 38.487 0.061 0.000 1.126 292 N HN 0.535 nan 8.380 nan 0.000 0.452 293 I N 0.756 121.369 120.570 0.071 0.000 2.418 293 I HA 0.123 4.293 4.170 0.001 0.000 0.287 293 I C 0.906 177.065 176.117 0.070 0.000 1.008 293 I CA -0.470 60.888 61.300 0.098 0.000 1.104 293 I CB 1.744 39.749 38.000 0.008 0.000 1.264 293 I HN 0.563 nan 8.210 nan 0.000 0.438 294 D N 5.573 126.036 120.400 0.104 0.000 2.338 294 D HA 0.177 4.818 4.640 0.001 0.000 0.208 294 D C 0.270 176.596 176.300 0.045 0.000 0.997 294 D CA 0.600 54.636 54.000 0.060 0.000 0.880 294 D CB 0.599 41.435 40.800 0.061 0.000 0.980 294 D HN 0.388 nan 8.370 nan 0.000 0.509 295 M N 1.096 120.739 119.600 0.072 0.000 2.342 295 M HA 0.236 4.717 4.480 0.001 0.000 0.276 295 M C -2.266 174.094 176.300 0.101 0.000 1.054 295 M CA -0.755 54.575 55.300 0.051 0.000 0.930 295 M CB 1.529 34.152 32.600 0.038 0.000 1.929 295 M HN -0.149 nan 8.290 nan 0.000 0.492 296 V N 3.454 123.404 119.914 0.061 0.000 2.769 296 V HA 0.918 5.038 4.120 0.001 0.000 0.312 296 V C -2.142 173.996 176.094 0.074 0.000 1.061 296 V CA -0.525 61.849 62.300 0.123 0.000 0.931 296 V CB 2.271 34.147 31.823 0.088 0.000 1.010 296 V HN 0.909 nan 8.190 nan 0.000 0.433 297 L N 4.197 125.482 121.223 0.104 0.000 2.438 297 L HA 0.698 5.039 4.340 0.001 0.000 0.270 297 L C -0.498 176.413 176.870 0.068 0.000 0.972 297 L CA 0.100 54.975 54.840 0.059 0.000 0.831 297 L CB 1.856 43.937 42.059 0.037 0.000 1.273 297 L HN 0.995 nan 8.230 nan 0.000 0.405 298 Q N 3.902 123.730 119.800 0.048 0.000 2.379 298 Q HA 0.638 4.979 4.340 0.001 0.000 0.278 298 Q C -1.763 174.252 176.000 0.025 0.000 1.068 298 Q CA -0.571 55.258 55.803 0.043 0.000 0.816 298 Q CB 2.667 31.440 28.738 0.058 0.000 1.387 298 Q HN 0.748 nan 8.270 nan 0.000 0.413 308 T N -0.199 114.380 114.554 0.041 0.000 2.618 308 T HA 0.618 4.969 4.350 0.001 0.000 0.293 308 T C -1.997 172.717 174.700 0.023 0.000 1.093 308 T CA -0.615 61.504 62.100 0.030 0.000 1.061 308 T CB 1.686 70.570 68.868 0.027 0.000 1.498 308 T HN 0.784 nan 8.240 nan 0.000 0.494 309 D N 1.395 121.801 120.400 0.011 0.000 2.498 309 D HA 0.508 5.149 4.640 0.001 0.000 0.247 309 D C -0.796 175.501 176.300 -0.004 0.000 1.070 309 D CA -0.238 53.757 54.000 -0.008 0.000 0.842 309 D CB 2.007 42.802 40.800 -0.008 0.000 1.361 309 D HN 0.416 nan 8.370 nan 0.000 0.484 310 I N 0.920 121.473 120.570 -0.028 0.000 2.406 310 I HA 0.216 4.387 4.170 0.001 0.000 0.290 310 I C 0.129 176.270 176.117 0.040 0.000 0.999 310 I CA -0.407 60.907 61.300 0.024 0.000 1.124 310 I CB 2.265 40.273 38.000 0.013 0.000 1.289 310 I HN 0.084 nan 8.210 nan 0.000 0.441 311 T N 6.655 121.265 114.554 0.093 0.000 2.841 311 T HA 0.750 5.101 4.350 0.001 0.000 0.283 311 T C -0.871 173.952 174.700 0.204 0.000 1.000 311 T CA -0.377 61.758 62.100 0.058 0.000 0.977 311 T CB 0.750 69.611 68.868 -0.011 0.000 0.979 311 T HN 0.405 nan 8.240 nan 0.000 0.446 312 F N 0.671 120.643 119.950 0.037 0.000 2.650 312 F HA 0.839 5.366 4.527 0.001 0.000 0.320 312 F C -0.597 175.228 175.800 0.041 0.000 1.091 312 F CA -0.972 57.073 58.000 0.075 0.000 0.962 312 F CB 1.614 40.725 39.000 0.185 0.000 1.363 312 F HN 0.389 nan 8.300 nan 0.000 0.482 313 T N 1.376 116.052 114.554 0.203 0.000 2.848 313 T HA 0.642 4.993 4.350 0.001 0.000 0.285 313 T C -1.294 173.527 174.700 0.202 0.000 0.995 313 T CA -0.372 61.768 62.100 0.067 0.000 0.970 313 T CB 0.745 69.639 68.868 0.044 0.000 0.976 313 T HN 1.100 nan 8.240 nan 0.000 0.441 314 C N 3.855 123.236 119.300 0.135 0.000 3.173 314 C HA 0.840 5.301 4.460 0.001 0.000 0.310 314 C C -3.032 172.024 174.990 0.109 0.000 1.306 314 C CA -2.578 56.552 59.018 0.187 0.000 1.426 314 C CB 1.128 29.061 27.740 0.322 0.000 1.800 314 C HN 0.549 nan 8.230 nan 0.000 0.470 315 P HA 0.132 nan 4.420 nan 0.000 0.263 315 P C 0.620 177.970 177.300 0.083 0.000 1.175 315 P CA 0.536 63.681 63.100 0.075 0.000 0.761 315 P CB 0.425 32.168 31.700 0.072 0.000 0.794 316 R N 2.564 123.101 120.500 0.062 0.000 2.117 316 R HA -0.170 4.171 4.340 0.001 0.000 0.243 316 R C 2.144 178.507 176.300 0.106 0.000 1.143 316 R CA 2.352 58.497 56.100 0.074 0.000 0.968 316 R CB -0.797 29.531 30.300 0.045 0.000 0.863 316 R HN 0.610 nan 8.270 nan 0.000 0.444 317 S N -0.480 115.268 115.700 0.081 0.000 2.474 317 S HA -0.064 4.407 4.470 0.001 0.000 0.235 317 S C 1.017 175.665 174.600 0.080 0.000 0.997 317 S CA 1.150 59.394 58.200 0.073 0.000 0.949 317 S CB 0.072 63.304 63.200 0.054 0.000 0.766 317 S HN 0.226 nan 8.310 nan 0.000 0.517 318 D N 1.423 121.884 120.400 0.101 0.000 2.346 318 D HA 0.194 4.835 4.640 0.001 0.000 0.206 318 D C 2.045 178.426 176.300 0.135 0.000 1.001 318 D CA 0.752 54.817 54.000 0.108 0.000 0.871 318 D CB -0.590 40.282 40.800 0.120 0.000 0.943 318 D HN 0.507 nan 8.370 nan 0.000 0.518 319 G N 1.481 110.393 108.800 0.188 0.000 2.529 319 G HA2 -0.334 3.627 3.960 0.001 0.000 0.219 319 G HA3 -0.334 3.627 3.960 0.001 0.000 0.219 319 G C 1.722 176.627 174.900 0.009 0.000 1.177 319 G CA 0.573 45.850 45.100 0.296 0.000 0.773 319 G HN 0.246 nan 8.290 nan 0.000 0.573 320 R N 0.055 120.511 120.500 -0.074 0.000 2.081 320 R HA -0.020 4.321 4.340 0.001 0.000 0.235 320 R C 3.175 179.425 176.300 -0.085 0.000 1.131 320 R CA 1.650 57.644 56.100 -0.178 0.000 0.960 320 R CB -0.411 29.826 30.300 -0.105 0.000 0.856 320 R HN 0.397 nan 8.270 nan 0.000 0.436 321 R N 1.003 121.498 120.500 -0.010 0.000 2.073 321 R HA -0.016 4.325 4.340 0.001 0.000 0.234 321 R C 2.275 178.601 176.300 0.042 0.000 1.134 321 R CA 1.708 57.819 56.100 0.018 0.000 0.952 321 R CB -1.490 28.833 30.300 0.038 0.000 0.850 321 R HN 0.418 nan 8.270 nan 0.000 0.433 322 A N 0.355 123.225 122.820 0.084 0.000 1.902 322 A HA -0.073 4.248 4.320 0.001 0.000 0.217 322 A C 2.444 180.102 177.584 0.124 0.000 1.181 322 A CA 1.863 53.993 52.037 0.156 0.000 0.623 322 A CB -0.294 18.886 19.000 0.301 0.000 0.818 322 A HN 0.486 nan 8.150 nan 0.000 0.443 323 M N -0.575 119.044 119.600 0.032 0.000 2.077 323 M HA -0.138 4.343 4.480 0.001 0.000 0.261 323 M C 1.949 178.257 176.300 0.013 0.000 1.070 323 M CA 1.650 56.943 55.300 -0.012 0.000 1.125 323 M CB -1.552 30.933 32.600 -0.192 0.000 1.339 323 M HN 0.538 nan 8.290 nan 0.000 0.409 324 E N 0.175 120.368 120.200 -0.012 0.000 2.114 324 E HA -0.239 4.112 4.350 0.001 0.000 0.199 324 E C 1.866 178.490 176.600 0.040 0.000 1.008 324 E CA 1.359 57.762 56.400 0.005 0.000 0.810 324 E CB -0.143 29.554 29.700 -0.005 0.000 0.739 324 E HN 0.303 nan 8.360 nan 0.000 0.456 325 I N 0.174 120.781 120.570 0.061 0.000 2.193 325 I HA -0.196 3.975 4.170 0.001 0.000 0.240 325 I C 2.162 178.363 176.117 0.139 0.000 1.084 325 I CA 1.063 62.412 61.300 0.082 0.000 1.365 325 I CB -1.017 37.031 38.000 0.080 0.000 1.064 325 I HN 0.112 nan 8.210 nan 0.000 0.410 326 L N 0.453 121.792 121.223 0.193 0.000 2.044 326 L HA -0.118 4.222 4.340 0.001 0.000 0.205 326 L C 2.393 179.507 176.870 0.408 0.000 1.075 326 L CA 1.504 56.565 54.840 0.369 0.000 0.747 326 L CB -1.352 40.859 42.059 0.255 0.000 0.903 326 L HN 0.193 nan 8.230 nan 0.000 0.435 327 K N 0.305 120.846 120.400 0.235 0.000 2.209 327 K HA -0.204 4.117 4.320 0.001 0.000 0.204 327 K C 2.111 178.764 176.600 0.088 0.000 1.048 327 K CA 1.435 57.825 56.287 0.170 0.000 0.940 327 K CB -0.127 32.427 32.500 0.091 0.000 0.729 327 K HN 0.153 nan 8.250 nan 0.000 0.451 328 K N -0.446 119.994 120.400 0.067 0.000 2.228 328 K HA 0.032 4.353 4.320 0.001 0.000 0.202 328 K C 1.463 178.033 176.600 -0.050 0.000 1.051 328 K CA 0.552 56.843 56.287 0.008 0.000 0.960 328 K CB 0.130 32.637 32.500 0.013 0.000 0.743 328 K HN 0.097 nan 8.250 nan 0.000 0.458 329 L N 1.203 122.394 121.223 -0.053 0.000 2.395 329 L HA 0.004 4.345 4.340 0.001 0.000 0.218 329 L C 1.452 177.973 176.870 -0.582 0.000 1.130 329 L CA 1.071 55.739 54.840 -0.287 0.000 0.826 329 L CB -0.670 41.214 42.059 -0.292 0.000 0.941 329 L HN 0.424 nan 8.230 nan 0.000 0.451 334 N N -0.239 118.253 118.700 -0.346 0.000 2.323 334 N HA 0.058 4.799 4.740 0.001 0.000 0.318 334 N C -0.350 175.091 175.510 -0.115 0.000 0.772 334 N CA 0.522 53.355 53.050 -0.362 0.000 0.619 334 N CB 0.935 38.949 38.487 -0.788 0.000 2.293 334 N HN 0.644 nan 8.380 nan 0.000 1.086 335 W N 0.223 121.520 121.300 -0.004 0.000 3.047 335 W HA 0.491 5.152 4.660 0.001 0.000 0.341 335 W C 0.989 177.509 176.519 0.002 0.000 1.225 335 W CA -0.367 56.978 57.345 -0.000 0.000 1.150 335 W CB -0.470 28.990 29.460 -0.001 0.000 1.470 335 W HN -0.128 nan 8.180 nan 0.000 0.578 336 T N -2.447 112.279 114.554 0.287 0.000 3.054 336 T HA 0.180 4.530 4.350 0.001 0.000 0.259 336 T C 0.114 174.915 174.700 0.169 0.000 1.092 336 T CA 1.009 63.205 62.100 0.161 0.000 1.121 336 T CB -0.262 68.671 68.868 0.108 0.000 0.912 336 T HN 0.471 nan 8.240 nan 0.000 0.489 337 N N -0.763 118.083 118.700 0.243 0.000 3.265 337 N HA 0.388 5.129 4.740 0.001 0.000 0.235 337 N C -2.289 173.321 175.510 0.166 0.000 1.343 337 N CA -0.432 52.727 53.050 0.182 0.000 0.904 337 N CB 1.914 40.459 38.487 0.096 0.000 1.492 337 N HN 0.197 nan 8.380 nan 0.000 0.504 338 V N 2.164 122.153 119.914 0.126 0.000 2.709 338 V HA 0.725 4.846 4.120 0.001 0.000 0.308 338 V C -1.353 174.767 176.094 0.042 0.000 1.062 338 V CA -0.504 61.822 62.300 0.042 0.000 0.901 338 V CB 1.436 33.290 31.823 0.051 0.000 1.003 338 V HN 0.585 nan 8.190 nan 0.000 0.425 339 L N 5.769 126.997 121.223 0.009 0.000 2.333 339 L HA 0.650 4.990 4.340 0.001 0.000 0.269 339 L C -1.411 175.499 176.870 0.067 0.000 1.010 339 L CA -0.868 53.990 54.840 0.029 0.000 0.818 339 L CB 2.067 44.119 42.059 -0.011 0.000 1.306 339 L HN 0.802 nan 8.230 nan 0.000 0.430 340 Y N 1.193 121.450 120.300 -0.071 0.000 2.373 340 Y HA 0.417 4.968 4.550 0.001 0.000 0.336 340 Y C -1.321 174.540 175.900 -0.065 0.000 0.979 340 Y CA -0.974 57.078 58.100 -0.080 0.000 1.080 340 Y CB 1.666 40.096 38.460 -0.050 0.000 1.190 340 Y HN 0.485 nan 8.280 nan 0.000 0.446 341 D N 4.762 124.792 120.400 -0.616 0.000 2.358 341 D HA 0.151 4.792 4.640 0.001 0.000 0.253 341 D C -0.700 175.258 176.300 -0.571 0.000 1.288 341 D CA -0.409 53.318 54.000 -0.454 0.000 0.950 341 D CB 0.682 41.336 40.800 -0.244 0.000 1.197 341 D HN 0.700 nan 8.370 nan 0.000 0.550 342 D N 1.923 121.982 120.400 -0.568 0.000 2.370 342 D HA -0.008 4.633 4.640 0.001 0.000 0.230 342 D C 0.307 176.513 176.300 -0.157 0.000 1.143 342 D CA 0.058 53.849 54.000 -0.349 0.000 0.834 342 D CB 0.162 40.837 40.800 -0.209 0.000 0.944 342 D HN 0.398 nan 8.370 nan 0.000 0.504 343 Q N 0.314 120.030 119.800 -0.141 0.000 2.110 343 Q HA 0.178 4.519 4.340 0.001 0.000 0.232 343 Q C -0.063 175.895 176.000 -0.069 0.000 0.810 343 Q CA -0.310 55.446 55.803 -0.079 0.000 1.083 343 Q CB 1.826 30.530 28.738 -0.056 0.000 1.193 343 Q HN 0.293 nan 8.270 nan 0.000 0.471 344 V N -1.993 117.869 119.914 -0.086 0.000 2.732 344 V HA 0.817 4.938 4.120 0.001 0.000 0.297 344 V C 0.437 176.508 176.094 -0.038 0.000 1.060 344 V CA -0.526 61.737 62.300 -0.063 0.000 1.038 344 V CB 1.258 33.035 31.823 -0.077 0.000 1.003 344 V HN 0.152 nan 8.190 nan 0.000 0.481 345 G N 2.526 111.314 108.800 -0.020 0.000 2.452 345 G HA2 0.602 4.563 3.960 0.001 0.000 0.324 345 G HA3 0.602 4.563 3.960 0.001 0.000 0.324 345 G C -0.929 173.977 174.900 0.010 0.000 1.214 345 G CA -1.011 44.087 45.100 -0.004 0.000 0.947 345 G HN 1.053 nan 8.290 nan 0.000 0.478 346 K N 1.307 121.718 120.400 0.018 0.000 2.367 346 K HA 0.569 4.890 4.320 0.001 0.000 0.263 346 K C -1.320 175.312 176.600 0.052 0.000 1.000 346 K CA -0.622 55.684 56.287 0.032 0.000 0.891 346 K CB 1.855 34.368 32.500 0.022 0.000 1.117 346 K HN 0.338 nan 8.250 nan 0.000 0.443 347 V N 3.698 123.665 119.914 0.087 0.000 2.495 347 V HA 0.618 4.739 4.120 0.001 0.000 0.298 347 V C -1.351 174.864 176.094 0.201 0.000 1.031 347 V CA -0.160 62.212 62.300 0.120 0.000 0.871 347 V CB 1.904 33.791 31.823 0.106 0.000 0.988 347 V HN 0.941 nan 8.190 nan 0.000 0.432 348 S N 6.337 122.145 115.700 0.179 0.000 2.549 348 S HA 0.735 5.206 4.470 0.001 0.000 0.280 348 S C -1.250 173.463 174.600 0.189 0.000 1.109 348 S CA -0.524 57.778 58.200 0.169 0.000 0.905 348 S CB 1.806 65.042 63.200 0.060 0.000 1.081 348 S HN 0.817 nan 8.310 nan 0.000 0.477 349 L N 2.633 123.967 121.223 0.185 0.000 2.341 349 L HA 0.830 5.171 4.340 0.001 0.000 0.278 349 L C -1.390 175.450 176.870 -0.051 0.000 1.005 349 L CA -0.428 54.454 54.840 0.070 0.000 0.818 349 L CB 1.525 43.653 42.059 0.116 0.000 1.259 349 L HN 0.509 nan 8.230 nan 0.000 0.418 350 V N 3.841 123.713 119.914 -0.071 0.000 2.656 350 V HA 0.980 5.100 4.120 0.001 0.000 0.307 350 V C 0.033 176.072 176.094 -0.092 0.000 1.051 350 V CA -0.087 62.169 62.300 -0.073 0.000 0.893 350 V CB 1.643 33.442 31.823 -0.041 0.000 0.999 350 V HN 0.996 nan 8.190 nan 0.000 0.426 351 G N 2.121 110.868 108.800 -0.088 0.000 2.657 351 G HA2 0.556 4.517 3.960 0.001 0.000 0.303 351 G HA3 0.556 4.517 3.960 0.001 0.000 0.303 351 G C 0.188 175.043 174.900 -0.075 0.000 1.457 351 G CA 0.208 45.258 45.100 -0.083 0.000 0.982 351 G HN 0.970 nan 8.290 nan 0.000 0.583 352 A N 0.938 123.720 122.820 -0.063 0.000 1.969 352 A HA 0.240 4.560 4.320 0.001 0.000 0.218 352 A C 2.629 180.156 177.584 -0.095 0.000 1.169 352 A CA 2.637 54.633 52.037 -0.068 0.000 0.635 352 A CB -0.627 18.341 19.000 -0.054 0.000 0.810 352 A HN 1.769 nan 8.150 nan 0.000 0.445 353 G N 0.627 109.382 108.800 -0.075 0.000 2.485 353 G HA2 -0.294 3.667 3.960 0.001 0.000 0.221 353 G HA3 -0.294 3.667 3.960 0.001 0.000 0.221 353 G C 1.573 176.389 174.900 -0.140 0.000 1.115 353 G CA 1.413 46.465 45.100 -0.080 0.000 0.751 353 G HN 0.776 nan 8.290 nan 0.000 0.567 354 M N -0.108 119.436 119.600 -0.092 0.000 2.447 354 M HA 0.301 4.782 4.480 0.001 0.000 0.264 354 M C 2.211 178.449 176.300 -0.102 0.000 1.095 354 M CA 1.689 56.950 55.300 -0.065 0.000 1.125 354 M CB -0.125 32.436 32.600 -0.064 0.000 1.389 354 M HN 0.117 nan 8.290 nan 0.000 0.459 355 K N 1.460 121.779 120.400 -0.134 0.000 2.103 355 K HA -0.169 4.152 4.320 0.001 0.000 0.207 355 K C 1.933 178.455 176.600 -0.130 0.000 1.048 355 K CA 2.181 58.399 56.287 -0.115 0.000 0.930 355 K CB -0.105 32.331 32.500 -0.106 0.000 0.716 355 K HN 0.612 nan 8.250 nan 0.000 0.444 356 S N -0.443 115.114 115.700 -0.237 0.000 2.427 356 S HA 0.021 4.492 4.470 0.001 0.000 0.224 356 S C 0.548 175.078 174.600 -0.116 0.000 1.047 356 S CA -0.453 57.616 58.200 -0.218 0.000 0.953 356 S CB -0.333 62.666 63.200 -0.335 0.000 0.824 356 S HN 0.263 nan 8.310 nan 0.000 0.502 357 H N 3.720 122.794 119.070 0.007 0.000 2.610 357 H HA 0.575 5.132 4.556 0.001 0.000 0.336 357 H C -2.552 172.788 175.328 0.021 0.000 1.087 357 H CA -2.142 53.916 56.048 0.017 0.000 1.405 357 H CB -0.044 29.735 29.762 0.028 0.000 1.460 357 H HN 0.346 nan 8.280 nan 0.000 0.538 358 P HA 0.285 nan 4.420 nan 0.000 0.279 358 P C 0.980 178.342 177.300 0.104 0.000 1.252 358 P CA -0.075 63.082 63.100 0.095 0.000 0.811 358 P CB 1.217 32.955 31.700 0.063 0.000 1.035 359 G N -0.449 108.408 108.800 0.094 0.000 2.259 359 G HA2 -0.286 3.675 3.960 0.001 0.000 0.217 359 G HA3 -0.286 3.675 3.960 0.001 0.000 0.217 359 G C 0.936 175.929 174.900 0.156 0.000 1.001 359 G CA 0.176 45.337 45.100 0.101 0.000 0.627 359 G HN 0.492 nan 8.290 nan 0.000 0.501 360 V N 1.480 121.511 119.914 0.195 0.000 2.343 360 V HA -0.108 4.013 4.120 0.001 0.000 0.247 360 V C 2.896 179.179 176.094 0.314 0.000 1.051 360 V CA 3.556 66.042 62.300 0.310 0.000 1.036 360 V CB -0.619 31.326 31.823 0.204 0.000 0.654 360 V HN 0.546 nan 8.190 nan 0.000 0.451 361 T N 0.395 115.048 114.554 0.166 0.000 2.746 361 T HA -0.152 4.199 4.350 0.001 0.000 0.267 361 T C 1.965 176.778 174.700 0.188 0.000 1.039 361 T CA 1.598 63.771 62.100 0.122 0.000 1.142 361 T CB -0.504 68.382 68.868 0.029 0.000 0.866 361 T HN 0.636 nan 8.240 nan 0.000 0.444 362 A N 1.204 124.114 122.820 0.150 0.000 1.898 362 A HA -0.098 4.223 4.320 0.001 0.000 0.216 362 A C 2.196 179.865 177.584 0.141 0.000 1.181 362 A CA 1.708 53.819 52.037 0.123 0.000 0.620 362 A CB -0.537 18.511 19.000 0.079 0.000 0.819 362 A HN 0.572 nan 8.150 nan 0.000 0.442 363 E N -1.562 118.740 120.200 0.171 0.000 2.152 363 E HA -0.132 4.218 4.350 0.001 0.000 0.192 363 E C 1.661 178.348 176.600 0.146 0.000 0.983 363 E CA 0.778 57.223 56.400 0.076 0.000 0.818 363 E CB -0.179 29.519 29.700 -0.004 0.000 0.758 363 E HN 0.655 nan 8.360 nan 0.000 0.467 364 F N 0.431 120.534 119.950 0.255 0.000 2.075 364 F HA -0.203 4.325 4.527 0.001 0.000 0.297 364 F C 2.214 178.088 175.800 0.123 0.000 1.113 364 F CA 1.429 59.593 58.000 0.274 0.000 1.218 364 F CB -0.048 39.087 39.000 0.226 0.000 0.984 364 F HN 0.029 nan 8.300 nan 0.000 0.472 365 M N 0.585 120.427 119.600 0.403 0.000 2.149 365 M HA -0.246 4.235 4.480 0.001 0.000 0.261 365 M C 1.927 178.283 176.300 0.093 0.000 1.064 365 M CA 1.935 57.375 55.300 0.234 0.000 1.102 365 M CB -0.413 32.290 32.600 0.171 0.000 1.369 365 M HN 0.190 nan 8.290 nan 0.000 0.408 366 E N -0.934 119.300 120.200 0.056 0.000 2.112 366 E HA -0.074 4.276 4.350 0.001 0.000 0.190 366 E C 2.074 178.649 176.600 -0.042 0.000 0.979 366 E CA 0.874 57.274 56.400 0.000 0.000 0.814 366 E CB -0.244 29.448 29.700 -0.015 0.000 0.762 366 E HN 0.547 nan 8.360 nan 0.000 0.460 367 A N 1.174 123.947 122.820 -0.078 0.000 1.892 367 A HA -0.216 4.104 4.320 0.001 0.000 0.218 367 A C 2.069 179.591 177.584 -0.103 0.000 1.188 367 A CA 1.427 53.390 52.037 -0.122 0.000 0.631 367 A CB -0.472 18.419 19.000 -0.182 0.000 0.822 367 A HN 0.115 nan 8.150 nan 0.000 0.447 368 L N -0.816 120.346 121.223 -0.102 0.000 2.179 368 L HA 0.028 4.369 4.340 0.001 0.000 0.208 368 L C 2.478 179.331 176.870 -0.030 0.000 1.096 368 L CA 1.803 56.599 54.840 -0.072 0.000 0.779 368 L CB -0.770 41.254 42.059 -0.058 0.000 0.922 368 L HN 0.518 nan 8.230 nan 0.000 0.443 369 R N 0.003 120.495 120.500 -0.015 0.000 2.091 369 R HA -0.183 4.158 4.340 0.001 0.000 0.238 369 R C 1.393 177.683 176.300 -0.017 0.000 1.136 369 R CA 1.852 57.948 56.100 -0.007 0.000 0.959 369 R CB -0.138 30.162 30.300 0.001 0.000 0.856 369 R HN 0.305 nan 8.270 nan 0.000 0.437 370 D N -0.133 120.250 120.400 -0.029 0.000 2.317 370 D HA 0.010 4.651 4.640 0.001 0.000 0.211 370 D C 0.418 176.701 176.300 -0.028 0.000 0.966 370 D CA 0.462 54.444 54.000 -0.030 0.000 0.876 370 D CB 0.246 41.022 40.800 -0.039 0.000 0.927 370 D HN 0.024 nan 8.370 nan 0.000 0.519 371 V N 0.812 120.708 119.914 -0.031 0.000 2.966 371 V HA 0.189 4.310 4.120 0.001 0.000 0.317 371 V C 0.597 176.680 176.094 -0.019 0.000 1.070 371 V CA -0.807 61.478 62.300 -0.025 0.000 1.008 371 V CB 1.707 33.512 31.823 -0.029 0.000 1.070 371 V HN -0.143 nan 8.190 nan 0.000 0.457 372 N N 1.546 120.237 118.700 -0.015 0.000 3.209 372 N HA 0.199 4.940 4.740 0.001 0.000 0.309 372 N C -0.665 174.841 175.510 -0.006 0.000 1.384 372 N CA -0.096 52.948 53.050 -0.009 0.000 1.173 372 N CB 0.268 38.750 38.487 -0.008 0.000 1.460 372 N HN 0.560 nan 8.380 nan 0.000 0.534 373 V N 0.105 120.015 119.914 -0.007 0.000 2.394 373 V HA 0.541 4.662 4.120 0.001 0.000 0.282 373 V C -0.106 175.994 176.094 0.010 0.000 1.031 373 V CA -0.996 61.304 62.300 -0.001 0.000 0.881 373 V CB 1.100 32.920 31.823 -0.004 0.000 0.982 373 V HN 0.286 nan 8.190 nan 0.000 0.451 374 N N 4.843 123.550 118.700 0.012 0.000 2.472 374 N HA 0.477 5.218 4.740 0.001 0.000 0.277 374 N C -0.551 174.976 175.510 0.028 0.000 1.081 374 N CA -0.384 52.677 53.050 0.018 0.000 0.973 374 N CB 0.904 39.398 38.487 0.011 0.000 1.105 374 N HN 0.801 nan 8.380 nan 0.000 0.470 375 I N 2.557 123.153 120.570 0.042 0.000 2.395 375 I HA 0.125 4.296 4.170 0.001 0.000 0.289 375 I C 1.188 177.326 176.117 0.034 0.000 1.023 375 I CA 0.070 61.403 61.300 0.056 0.000 1.350 375 I CB 1.202 39.254 38.000 0.087 0.000 1.409 375 I HN 0.672 nan 8.210 nan 0.000 0.507 376 E N 4.620 124.836 120.200 0.027 0.000 2.290 376 E HA 0.274 4.624 4.350 0.001 0.000 0.199 376 E C -0.641 175.961 176.600 0.004 0.000 0.912 376 E CA 0.302 56.707 56.400 0.009 0.000 0.924 376 E CB 0.601 30.300 29.700 -0.002 0.000 0.901 376 E HN 0.329 nan 8.360 nan 0.000 0.487 377 L N 0.814 122.042 121.223 0.008 0.000 2.434 377 L HA 0.454 4.795 4.340 0.001 0.000 0.260 377 L C -1.113 175.759 176.870 0.002 0.000 0.983 377 L CA -0.418 54.423 54.840 0.001 0.000 0.820 377 L CB 2.335 44.389 42.059 -0.008 0.000 1.361 377 L HN -0.054 nan 8.230 nan 0.000 0.410 378 I N 0.743 121.306 120.570 -0.011 0.000 2.530 378 I HA 0.734 4.905 4.170 0.001 0.000 0.297 378 I C -0.279 175.813 176.117 -0.043 0.000 1.011 378 I CA -0.474 60.805 61.300 -0.036 0.000 1.107 378 I CB 2.086 40.058 38.000 -0.046 0.000 1.285 378 I HN 0.561 nan 8.210 nan 0.000 0.436 379 S N 3.301 118.962 115.700 -0.065 0.000 2.564 379 S HA 0.745 5.216 4.470 0.001 0.000 0.274 379 S C -0.977 173.572 174.600 -0.086 0.000 1.124 379 S CA -0.301 57.865 58.200 -0.057 0.000 0.869 379 S CB 2.257 65.434 63.200 -0.037 0.000 1.105 379 S HN 0.647 nan 8.310 nan 0.000 0.472 380 T N 1.920 116.431 114.554 -0.072 0.000 2.956 380 T HA 0.703 5.053 4.350 0.001 0.000 0.312 380 T C -1.087 173.574 174.700 -0.065 0.000 1.151 380 T CA -0.460 61.590 62.100 -0.084 0.000 1.024 380 T CB 1.599 70.418 68.868 -0.081 0.000 1.140 380 T HN 1.026 nan 8.240 nan 0.000 0.473 381 S N 1.366 117.024 115.700 -0.069 0.000 2.671 381 S HA 0.487 4.958 4.470 0.001 0.000 0.299 381 S C 1.040 175.603 174.600 -0.061 0.000 1.116 381 S CA -0.654 57.512 58.200 -0.056 0.000 0.912 381 S CB 1.754 64.925 63.200 -0.049 0.000 1.130 381 S HN 0.831 nan 8.310 nan 0.000 0.501 382 E N 0.177 120.346 120.200 -0.053 0.000 2.187 382 E HA -0.183 4.168 4.350 0.001 0.000 0.199 382 E C 1.079 177.641 176.600 -0.063 0.000 1.004 382 E CA 1.905 58.272 56.400 -0.054 0.000 0.813 382 E CB -0.340 29.332 29.700 -0.046 0.000 0.736 382 E HN 0.748 nan 8.360 nan 0.000 0.468 383 I N -2.320 118.212 120.570 -0.064 0.000 3.658 383 I HA 0.397 4.568 4.170 0.001 0.000 0.328 383 I C -0.181 175.888 176.117 -0.079 0.000 1.567 383 I CA -0.727 60.530 61.300 -0.071 0.000 1.078 383 I CB 0.604 38.568 38.000 -0.060 0.000 1.267 383 I HN -0.151 nan 8.210 nan 0.000 0.495 384 R N 1.665 122.111 120.500 -0.090 0.000 2.604 384 R HA 0.664 5.005 4.340 0.001 0.000 0.270 384 R C -2.110 174.099 176.300 -0.151 0.000 1.052 384 R CA -0.622 55.415 56.100 -0.104 0.000 0.902 384 R CB 2.418 32.674 30.300 -0.073 0.000 1.233 384 R HN 0.328 nan 8.270 nan 0.000 0.455 385 I N 2.672 123.108 120.570 -0.224 0.000 2.389 385 I HA 0.335 4.506 4.170 0.001 0.000 0.288 385 I C -0.504 175.412 176.117 -0.335 0.000 0.999 385 I CA -0.572 60.493 61.300 -0.391 0.000 1.129 385 I CB 2.191 39.730 38.000 -0.768 0.000 1.288 385 I HN 0.509 nan 8.210 nan 0.000 0.444 386 S N 4.591 120.155 115.700 -0.227 0.000 2.536 386 S HA 0.736 5.207 4.470 0.001 0.000 0.298 386 S C -0.757 173.802 174.600 -0.068 0.000 1.083 386 S CA -0.636 57.511 58.200 -0.090 0.000 0.995 386 S CB 2.659 65.835 63.200 -0.041 0.000 1.058 386 S HN 0.306 nan 8.310 nan 0.000 0.488 387 V N 3.238 123.181 119.914 0.050 0.000 2.733 387 V HA 0.448 4.569 4.120 0.001 0.000 0.306 387 V C -1.106 175.033 176.094 0.075 0.000 1.084 387 V CA -0.650 61.701 62.300 0.086 0.000 0.905 387 V CB 1.854 33.824 31.823 0.245 0.000 1.010 387 V HN 0.747 nan 8.190 nan 0.000 0.424 388 L N 6.602 127.850 121.223 0.041 0.000 2.312 388 L HA 0.704 5.044 4.340 0.001 0.000 0.281 388 L C -0.170 176.715 176.870 0.026 0.000 1.070 388 L CA -0.287 54.567 54.840 0.022 0.000 0.805 388 L CB 1.269 43.326 42.059 -0.004 0.000 1.174 388 L HN 0.667 nan 8.230 nan 0.000 0.434 389 I N -1.054 119.527 120.570 0.018 0.000 3.458 389 I HA 0.564 4.735 4.170 0.001 0.000 0.316 389 I C -0.729 175.386 176.117 -0.003 0.000 1.202 389 I CA -1.404 59.904 61.300 0.013 0.000 0.929 389 I CB 1.525 39.541 38.000 0.026 0.000 1.340 389 I HN 0.261 nan 8.210 nan 0.000 0.481 390 R N 1.936 122.433 120.500 -0.006 0.000 2.570 390 R HA 0.085 4.426 4.340 0.001 0.000 0.277 390 R C 1.005 177.299 176.300 -0.011 0.000 1.039 390 R CA 0.173 56.265 56.100 -0.013 0.000 1.065 390 R CB -0.116 30.177 30.300 -0.012 0.000 0.964 390 R HN 0.863 nan 8.270 nan 0.000 0.428 391 E N 1.762 121.952 120.200 -0.017 0.000 2.097 391 E HA -0.267 4.083 4.350 0.001 0.000 0.196 391 E C 0.259 176.853 176.600 -0.010 0.000 1.000 391 E CA 1.604 57.996 56.400 -0.014 0.000 0.804 391 E CB 0.213 29.902 29.700 -0.019 0.000 0.740 391 E HN 0.473 nan 8.360 nan 0.000 0.454 392 D N 0.612 121.005 120.400 -0.011 0.000 2.263 392 D HA -0.129 4.511 4.640 0.001 0.000 0.208 392 D C 0.854 177.148 176.300 -0.009 0.000 0.971 392 D CA 0.865 54.859 54.000 -0.010 0.000 0.867 392 D CB -0.148 40.647 40.800 -0.010 0.000 0.929 392 D HN 0.260 nan 8.370 nan 0.000 0.492 393 D N -0.262 120.134 120.400 -0.008 0.000 2.349 393 D HA -0.000 4.641 4.640 0.001 0.000 0.214 393 D C 1.922 178.219 176.300 -0.006 0.000 1.063 393 D CA -0.181 53.815 54.000 -0.007 0.000 0.847 393 D CB 0.429 41.225 40.800 -0.006 0.000 0.933 393 D HN 0.120 nan 8.370 nan 0.000 0.513 394 L N 1.168 122.389 121.223 -0.003 0.000 2.027 394 L HA -0.127 4.214 4.340 0.001 0.000 0.206 394 L C 1.477 178.347 176.870 -0.001 0.000 1.074 394 L CA 1.758 56.599 54.840 0.002 0.000 0.745 394 L CB -0.273 41.788 42.059 0.003 0.000 0.898 394 L HN -0.180 nan 8.230 nan 0.000 0.433 395 D N -0.414 119.982 120.400 -0.007 0.000 2.104 395 D HA -0.182 4.459 4.640 0.001 0.000 0.194 395 D C 2.172 178.464 176.300 -0.014 0.000 0.994 395 D CA 1.627 55.620 54.000 -0.011 0.000 0.830 395 D CB -0.251 40.539 40.800 -0.016 0.000 0.959 395 D HN 0.423 nan 8.370 nan 0.000 0.452 396 A N 0.523 123.334 122.820 -0.015 0.000 1.968 396 A HA 0.097 4.417 4.320 0.001 0.000 0.217 396 A C 2.231 179.801 177.584 -0.024 0.000 1.169 396 A CA 1.776 53.801 52.037 -0.019 0.000 0.638 396 A CB -0.559 18.429 19.000 -0.019 0.000 0.812 396 A HN 0.221 nan 8.150 nan 0.000 0.446 397 A N 0.144 122.950 122.820 -0.023 0.000 1.877 397 A HA 0.166 4.487 4.320 0.001 0.000 0.216 397 A C 2.515 180.078 177.584 -0.037 0.000 1.186 397 A CA 2.019 54.032 52.037 -0.040 0.000 0.620 397 A CB -1.068 17.916 19.000 -0.027 0.000 0.822 397 A HN 1.001 nan 8.150 nan 0.000 0.443 398 A N -0.305 122.512 122.820 -0.005 0.000 1.883 398 A HA -0.192 4.129 4.320 0.001 0.000 0.217 398 A C 2.215 179.828 177.584 0.049 0.000 1.186 398 A CA 1.986 54.040 52.037 0.028 0.000 0.624 398 A CB -0.468 18.550 19.000 0.031 0.000 0.822 398 A HN 0.467 nan 8.150 nan 0.000 0.444 399 R N -0.413 120.096 120.500 0.015 0.000 2.091 399 R HA -0.055 4.285 4.340 0.001 0.000 0.238 399 R C 2.409 178.729 176.300 0.034 0.000 1.136 399 R CA 1.513 57.620 56.100 0.011 0.000 0.959 399 R CB -0.575 29.712 30.300 -0.022 0.000 0.856 399 R HN 0.535 nan 8.270 nan 0.000 0.437 400 A N 0.407 123.227 122.820 -0.001 0.000 1.877 400 A HA -0.128 4.192 4.320 0.001 0.000 0.216 400 A C 1.843 179.420 177.584 -0.012 0.000 1.186 400 A CA 1.104 53.126 52.037 -0.024 0.000 0.620 400 A CB -0.479 18.484 19.000 -0.062 0.000 0.822 400 A HN 0.119 nan 8.150 nan 0.000 0.443 401 L N -0.671 120.544 121.223 -0.015 0.000 2.046 401 L HA -0.161 4.180 4.340 0.001 0.000 0.208 401 L C 2.290 179.290 176.870 0.217 0.000 1.077 401 L CA 2.406 57.278 54.840 0.054 0.000 0.747 401 L CB -1.873 40.156 42.059 -0.050 0.000 0.896 401 L HN 0.674 nan 8.230 nan 0.000 0.432 402 H N -0.188 118.931 119.070 0.081 0.000 2.290 402 H HA -0.151 4.406 4.556 0.002 0.000 0.298 402 H C 2.021 177.405 175.328 0.094 0.000 1.087 402 H CA 1.989 58.095 56.048 0.096 0.000 1.291 402 H CB 0.486 30.279 29.762 0.051 0.000 1.369 402 H HN 0.223 nan 8.280 nan 0.000 0.492 403 E N 0.054 120.397 120.200 0.238 0.000 2.158 403 E HA -0.147 4.204 4.350 0.001 0.000 0.191 403 E C 2.260 178.879 176.600 0.033 0.000 0.982 403 E CA 0.688 57.171 56.400 0.139 0.000 0.823 403 E CB -0.345 29.400 29.700 0.076 0.000 0.766 403 E HN 0.517 nan 8.360 nan 0.000 0.468 404 Q N 0.337 120.116 119.800 -0.034 0.000 2.062 404 Q HA -0.156 4.185 4.340 0.001 0.000 0.209 404 Q C 1.475 177.296 176.000 -0.298 0.000 0.996 404 Q CA 1.709 57.381 55.803 -0.218 0.000 0.859 404 Q CB -0.431 28.093 28.738 -0.356 0.000 0.920 404 Q HN 0.266 nan 8.270 nan 0.000 0.415 405 F N -0.556 119.381 119.950 -0.021 0.000 2.765 405 F HA 0.241 4.769 4.527 0.001 0.000 0.302 405 F C 0.640 176.415 175.800 -0.042 0.000 1.111 405 F CA 0.490 58.472 58.000 -0.029 0.000 1.359 405 F CB 0.104 39.082 39.000 -0.036 0.000 1.097 405 F HN 0.139 nan 8.300 nan 0.000 0.577 406 Q N 0.056 119.918 119.800 0.103 0.000 2.493 406 Q HA -0.190 4.151 4.340 0.001 0.000 0.278 406 Q C 0.651 176.681 176.000 0.051 0.000 1.198 406 Q CA 0.192 56.040 55.803 0.076 0.000 0.880 406 Q CB -1.566 27.202 28.738 0.050 0.000 1.260 406 Q HN 0.502 nan 8.270 nan 0.000 0.470 407 L N -2.274 118.911 121.223 -0.063 0.000 2.291 407 L HA 0.065 4.406 4.340 0.001 0.000 0.214 407 L C 1.864 178.790 176.870 0.093 0.000 1.120 407 L CA 0.985 55.727 54.840 -0.162 0.000 0.799 407 L CB -0.457 41.236 42.059 -0.609 0.000 0.925 407 L HN 0.454 nan 8.230 nan 0.000 0.446 408 G N -0.105 108.895 108.800 0.332 0.000 2.672 408 G HA2 0.361 4.322 3.960 0.001 0.000 0.200 408 G HA3 0.361 4.322 3.960 0.001 0.000 0.200 408 G C 0.441 175.439 174.900 0.164 0.000 1.819 408 G CA 0.471 45.805 45.100 0.390 0.000 0.902 408 G HN 0.341 nan 8.290 nan 0.000 0.512 409 G N 0.000 108.866 108.800 0.111 0.000 5.446 409 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 409 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 409 G CA 0.000 45.140 45.100 0.066 0.000 0.502 409 G HN 0.000 nan 8.290 nan 0.000 0.925