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 3lns_1_A DATA FIRST_RESID 2 DATA SEQUENCE NYLSPAKIDS LFSAQKAYFA TRATADVGFR KQSLERLKEA VINNKEALYS DATA SEQUENCE ALAEDLGKPK DVVDLAEIGA VLHEIDFALA HLDEWVAPVS VPSPDIIAPS DATA SEQUENCE ECYVVQEPYG VTYIIGPFNY PVNLTLTPLI GAIIGGNTCI IKPSETTPET DATA SEQUENCE SAVIEKIIAE AFAPEYVAVI QGGRDENSHL LSLPFDFIFF TGSPNVGKVV DATA SEQUENCE MQAAAKHLTP VVLELGGKCP LIVLPDADLD QTVNQLMFGK FINSGQTXIA DATA SEQUENCE PDYLYVHYSV KDALLERLVE RVKTELPEIN STGKLVTERQ VQRLVSLLEA DATA SEQUENCE TQGQVLVGSQ ADVSKRALSA TVVDGVEWND PLMSEELFGP ILPVLEFDSV DATA SEQUENCE RTAIDQVNKH HPKPLAVYVF GKDMDVAKGI INQIQSGDAQ VNGVMLHAFS DATA SEQUENCE PYLPFGGIGA SGMGEYHGHF SYLTFTHKKS VRIVP 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 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.547 175.510 0.062 0.000 1.280 2 N CA 0.000 53.018 53.050 -0.053 0.000 0.885 2 N CB 0.000 38.390 38.487 -0.162 0.000 1.341 3 Y N 1.309 121.629 120.300 0.033 0.000 2.578 3 Y HA 0.123 4.674 4.550 0.002 0.000 0.339 3 Y C 0.694 176.614 175.900 0.034 0.000 1.231 3 Y CA -0.833 57.291 58.100 0.040 0.000 1.461 3 Y CB 0.361 38.846 38.460 0.041 0.000 1.323 3 Y HN 0.269 nan 8.280 nan 0.000 0.590 4 L N 2.730 124.081 121.223 0.214 0.000 2.506 4 L HA -0.076 4.265 4.340 0.002 0.000 0.281 4 L C 0.537 177.462 176.870 0.091 0.000 1.228 4 L CA 0.205 55.118 54.840 0.122 0.000 0.850 4 L CB 0.252 42.372 42.059 0.101 0.000 1.110 4 L HN 0.657 nan 8.230 nan 0.000 0.496 5 S N 2.902 118.632 115.700 0.050 0.000 2.603 5 S HA 0.353 4.824 4.470 0.002 0.000 0.268 5 S C -1.807 172.765 174.600 -0.047 0.000 1.317 5 S CA -1.079 57.123 58.200 0.003 0.000 1.012 5 S CB 0.603 63.803 63.200 0.001 0.000 0.926 5 S HN 0.506 nan 8.310 nan 0.000 0.539 6 P HA -0.175 nan 4.420 nan 0.000 0.216 6 P C 1.625 178.857 177.300 -0.114 0.000 1.154 6 P CA 2.156 65.050 63.100 -0.342 0.000 0.865 6 P CB -0.267 31.154 31.700 -0.464 0.000 0.789 7 A N -0.322 122.465 122.820 -0.054 0.000 1.883 7 A HA -0.230 4.091 4.320 0.002 0.000 0.217 7 A C 2.177 179.782 177.584 0.035 0.000 1.186 7 A CA 1.738 53.777 52.037 0.004 0.000 0.624 7 A CB -1.031 17.971 19.000 0.004 0.000 0.822 7 A HN 0.043 nan 8.150 nan 0.000 0.444 8 K N -0.298 120.122 120.400 0.034 0.000 2.057 8 K HA -0.079 4.242 4.320 0.002 0.000 0.207 8 K C 1.888 178.536 176.600 0.080 0.000 1.049 8 K CA 1.315 57.635 56.287 0.055 0.000 0.931 8 K CB -0.610 31.922 32.500 0.054 0.000 0.714 8 K HN 0.616 nan 8.250 nan 0.000 0.440 9 I N 1.557 122.180 120.570 0.088 0.000 2.076 9 I HA -0.334 3.838 4.170 0.002 0.000 0.237 9 I C 1.891 178.096 176.117 0.147 0.000 1.059 9 I CA 1.505 62.885 61.300 0.133 0.000 1.317 9 I CB -0.419 37.691 38.000 0.184 0.000 1.037 9 I HN 0.115 nan 8.210 nan 0.000 0.398 10 D N 0.327 120.821 120.400 0.158 0.000 2.157 10 D HA -0.247 4.395 4.640 0.002 0.000 0.191 10 D C 2.280 178.660 176.300 0.133 0.000 1.004 10 D CA 1.959 56.031 54.000 0.119 0.000 0.854 10 D CB -0.459 40.402 40.800 0.102 0.000 0.936 10 D HN 0.278 nan 8.370 nan 0.000 0.446 11 S N -0.460 115.302 115.700 0.104 0.000 2.368 11 S HA -0.147 4.324 4.470 0.002 0.000 0.225 11 S C 1.865 176.525 174.600 0.100 0.000 1.030 11 S CA 0.575 58.828 58.200 0.090 0.000 0.999 11 S CB -0.269 62.972 63.200 0.068 0.000 0.844 11 S HN 0.120 nan 8.310 nan 0.000 0.459 12 L N 0.660 121.951 121.223 0.114 0.000 2.056 12 L HA 0.135 4.477 4.340 0.002 0.000 0.207 12 L C 2.009 178.951 176.870 0.119 0.000 1.078 12 L CA 1.755 56.661 54.840 0.112 0.000 0.749 12 L CB -1.396 40.737 42.059 0.122 0.000 0.901 12 L HN 0.465 nan 8.230 nan 0.000 0.433 13 F N -0.145 119.787 119.950 -0.029 0.000 2.065 13 F HA -0.300 4.228 4.527 0.002 0.000 0.298 13 F C 2.638 178.399 175.800 -0.066 0.000 1.112 13 F CA 2.055 59.990 58.000 -0.108 0.000 1.212 13 F CB -0.576 38.292 39.000 -0.221 0.000 0.975 13 F HN 0.075 nan 8.300 nan 0.000 0.476 14 S N 0.292 116.054 115.700 0.103 0.000 2.365 14 S HA -0.291 4.180 4.470 0.002 0.000 0.225 14 S C 2.274 176.869 174.600 -0.009 0.000 1.039 14 S CA 1.358 59.577 58.200 0.031 0.000 1.033 14 S CB -1.044 62.203 63.200 0.078 0.000 0.887 14 S HN 0.560 nan 8.310 nan 0.000 0.447 15 A N 1.136 123.971 122.820 0.025 0.000 1.940 15 A HA -0.181 4.140 4.320 0.002 0.000 0.219 15 A C 2.135 179.759 177.584 0.066 0.000 1.176 15 A CA 1.390 53.456 52.037 0.048 0.000 0.631 15 A CB -0.539 18.491 19.000 0.049 0.000 0.814 15 A HN 0.558 nan 8.150 nan 0.000 0.446 16 Q N -0.500 119.299 119.800 -0.001 0.000 2.046 16 Q HA -0.150 4.191 4.340 0.002 0.000 0.200 16 Q C 1.966 177.983 176.000 0.028 0.000 0.975 16 Q CA 1.191 57.012 55.803 0.030 0.000 0.836 16 Q CB -0.221 28.474 28.738 -0.072 0.000 0.896 16 Q HN 0.481 nan 8.270 nan 0.000 0.428 17 K N 0.914 121.219 120.400 -0.159 0.000 2.001 17 K HA -0.157 4.165 4.320 0.002 0.000 0.214 17 K C 2.130 178.774 176.600 0.073 0.000 1.050 17 K CA 1.390 57.628 56.287 -0.082 0.000 0.934 17 K CB -0.703 31.694 32.500 -0.172 0.000 0.718 17 K HN 0.177 nan 8.250 nan 0.000 0.443 18 A N 0.779 123.632 122.820 0.056 0.000 1.873 18 A HA -0.252 4.069 4.320 0.002 0.000 0.218 18 A C 2.249 179.902 177.584 0.114 0.000 1.193 18 A CA 1.949 54.032 52.037 0.076 0.000 0.629 18 A CB -1.144 17.901 19.000 0.075 0.000 0.826 18 A HN 0.469 nan 8.150 nan 0.000 0.447 19 Y N -1.354 118.971 120.300 0.041 0.000 2.128 19 Y HA -0.260 4.291 4.550 0.002 0.000 0.284 19 Y C 2.132 178.065 175.900 0.055 0.000 1.154 19 Y CA 2.209 60.339 58.100 0.050 0.000 1.149 19 Y CB -0.365 38.153 38.460 0.097 0.000 0.976 19 Y HN 0.365 nan 8.280 nan 0.000 0.505 20 F N 0.764 120.687 119.950 -0.046 0.000 2.126 20 F HA -0.219 4.309 4.527 0.002 0.000 0.299 20 F C 2.278 177.989 175.800 -0.148 0.000 1.096 20 F CA 1.540 59.466 58.000 -0.124 0.000 1.255 20 F CB -0.880 38.107 39.000 -0.022 0.000 0.997 20 F HN 0.059 nan 8.300 nan 0.000 0.479 21 A N -0.972 121.729 122.820 -0.197 0.000 2.125 21 A HA -0.131 4.190 4.320 0.002 0.000 0.219 21 A C 2.096 179.503 177.584 -0.295 0.000 1.156 21 A CA 1.852 53.733 52.037 -0.260 0.000 0.671 21 A CB -1.358 17.600 19.000 -0.070 0.000 0.794 21 A HN 0.439 nan 8.150 nan 0.000 0.459 22 T N -0.935 113.434 114.554 -0.310 0.000 2.962 22 T HA -0.054 4.297 4.350 0.002 0.000 0.270 22 T C 0.878 175.362 174.700 -0.360 0.000 1.088 22 T CA 1.034 62.958 62.100 -0.292 0.000 1.127 22 T CB -0.243 68.443 68.868 -0.304 0.000 0.883 22 T HN 0.664 nan 8.240 nan 0.000 0.493 23 R N -1.303 118.896 120.500 -0.503 0.000 3.908 23 R HA -0.208 4.133 4.340 0.002 0.000 0.381 23 R C 1.492 177.503 176.300 -0.481 0.000 1.135 23 R CA 0.371 56.186 56.100 -0.475 0.000 0.990 23 R CB -2.003 28.106 30.300 -0.317 0.000 1.557 23 R HN 0.429 nan 8.270 nan 0.000 0.535 24 A N 0.575 123.007 122.820 -0.646 0.000 1.940 24 A HA -0.187 4.135 4.320 0.002 0.000 0.219 24 A C 2.045 178.997 177.584 -1.053 0.000 1.176 24 A CA 2.059 53.620 52.037 -0.793 0.000 0.631 24 A CB -0.479 17.872 19.000 -1.082 0.000 0.814 24 A HN 0.571 nan 8.150 nan 0.000 0.446 25 T N -3.528 110.531 114.554 -0.824 0.000 3.144 25 T HA 0.522 4.873 4.350 0.002 0.000 0.249 25 T C 1.479 176.082 174.700 -0.163 0.000 1.089 25 T CA 0.866 62.603 62.100 -0.605 0.000 0.989 25 T CB 0.154 69.025 68.868 0.004 0.000 0.992 25 T HN 0.447 nan 8.240 nan 0.000 0.540 26 A N 2.442 125.138 122.820 -0.206 0.000 1.854 26 A HA 0.123 4.444 4.320 0.002 0.000 0.214 26 A C 1.121 178.720 177.584 0.026 0.000 1.192 26 A CA 0.986 52.987 52.037 -0.059 0.000 0.611 26 A CB -0.812 18.122 19.000 -0.109 0.000 0.832 26 A HN 0.783 nan 8.150 nan 0.000 0.442 27 D N -1.616 118.790 120.400 0.011 0.000 2.339 27 D HA 0.252 4.893 4.640 0.002 0.000 0.245 27 D C 0.858 177.235 176.300 0.128 0.000 1.115 27 D CA 0.090 54.126 54.000 0.060 0.000 0.917 27 D CB 1.261 42.081 40.800 0.032 0.000 1.192 27 D HN -0.026 nan 8.370 nan 0.000 0.428 28 V N 3.361 123.333 119.914 0.097 0.000 2.407 28 V HA -0.059 4.062 4.120 0.002 0.000 0.248 28 V C 2.048 178.198 176.094 0.093 0.000 1.055 28 V CA 2.483 64.840 62.300 0.096 0.000 1.049 28 V CB -0.967 30.881 31.823 0.041 0.000 0.662 28 V HN 0.841 nan 8.190 nan 0.000 0.455 29 G N -0.719 108.128 108.800 0.079 0.000 2.476 29 G HA2 -0.383 3.579 3.960 0.002 0.000 0.218 29 G HA3 -0.383 3.579 3.960 0.002 0.000 0.218 29 G C 1.561 176.520 174.900 0.098 0.000 1.164 29 G CA 1.300 46.440 45.100 0.066 0.000 0.768 29 G HN 0.609 nan 8.290 nan 0.000 0.560 30 F N 1.794 121.748 119.950 0.007 0.000 2.134 30 F HA -0.010 4.518 4.527 0.002 0.000 0.299 30 F C 2.919 178.740 175.800 0.036 0.000 1.097 30 F CA 1.611 59.613 58.000 0.002 0.000 1.264 30 F CB -0.059 38.924 39.000 -0.029 0.000 1.001 30 F HN 0.006 nan 8.300 nan 0.000 0.479 31 R N 0.575 121.204 120.500 0.216 0.000 2.073 31 R HA -0.152 4.189 4.340 0.002 0.000 0.234 31 R C 2.184 178.505 176.300 0.034 0.000 1.134 31 R CA 1.822 58.012 56.100 0.149 0.000 0.952 31 R CB -0.591 29.855 30.300 0.243 0.000 0.850 31 R HN 0.282 nan 8.270 nan 0.000 0.433 32 K N 1.045 121.459 120.400 0.024 0.000 2.032 32 K HA -0.244 4.077 4.320 0.002 0.000 0.209 32 K C 2.274 178.856 176.600 -0.031 0.000 1.048 32 K CA 2.107 58.390 56.287 -0.007 0.000 0.927 32 K CB -0.135 32.351 32.500 -0.024 0.000 0.712 32 K HN 0.216 nan 8.250 nan 0.000 0.441 33 Q N 0.415 120.172 119.800 -0.071 0.000 2.167 33 Q HA -0.052 4.289 4.340 0.002 0.000 0.202 33 Q C 1.760 177.711 176.000 -0.082 0.000 0.970 33 Q CA 1.963 57.714 55.803 -0.087 0.000 0.855 33 Q CB -0.340 28.338 28.738 -0.099 0.000 0.911 33 Q HN -0.008 nan 8.270 nan 0.000 0.438 34 S N 0.619 116.240 115.700 -0.133 0.000 2.382 34 S HA -0.044 4.427 4.470 0.002 0.000 0.228 34 S C 1.745 176.503 174.600 0.264 0.000 1.027 34 S CA 1.317 59.583 58.200 0.109 0.000 0.991 34 S CB -0.317 62.895 63.200 0.020 0.000 0.823 34 S HN 0.372 nan 8.310 nan 0.000 0.469 35 L N 1.315 122.616 121.223 0.131 0.000 2.027 35 L HA -0.080 4.262 4.340 0.002 0.000 0.206 35 L C 2.673 179.578 176.870 0.059 0.000 1.074 35 L CA 1.022 55.934 54.840 0.120 0.000 0.745 35 L CB -0.629 41.478 42.059 0.081 0.000 0.898 35 L HN 0.217 nan 8.230 nan 0.000 0.433 36 E N 0.494 120.702 120.200 0.013 0.000 2.086 36 E HA -0.257 4.094 4.350 0.002 0.000 0.200 36 E C 2.252 178.825 176.600 -0.047 0.000 1.012 36 E CA 1.431 57.818 56.400 -0.022 0.000 0.812 36 E CB -0.279 29.400 29.700 -0.035 0.000 0.743 36 E HN 0.480 nan 8.360 nan 0.000 0.453 37 R N 0.141 120.602 120.500 -0.064 0.000 2.075 37 R HA -0.106 4.235 4.340 0.002 0.000 0.232 37 R C 2.544 178.703 176.300 -0.235 0.000 1.126 37 R CA 0.858 56.855 56.100 -0.172 0.000 0.963 37 R CB -0.531 29.615 30.300 -0.256 0.000 0.858 37 R HN 0.099 nan 8.270 nan 0.000 0.435 38 L N 1.952 123.087 121.223 -0.147 0.000 2.042 38 L HA -0.219 4.122 4.340 0.002 0.000 0.210 38 L C 2.264 179.103 176.870 -0.052 0.000 1.076 38 L CA 1.885 56.684 54.840 -0.070 0.000 0.749 38 L CB -0.474 41.697 42.059 0.186 0.000 0.893 38 L HN 0.032 nan 8.230 nan 0.000 0.432 39 K N -0.336 120.046 120.400 -0.031 0.000 2.026 39 K HA -0.248 4.073 4.320 0.002 0.000 0.208 39 K C 2.070 178.636 176.600 -0.057 0.000 1.048 39 K CA 1.769 58.035 56.287 -0.035 0.000 0.929 39 K CB -0.261 32.222 32.500 -0.028 0.000 0.713 39 K HN 0.702 nan 8.250 nan 0.000 0.439 40 E N 0.046 120.204 120.200 -0.071 0.000 2.106 40 E HA -0.154 4.197 4.350 0.002 0.000 0.192 40 E C 1.772 178.323 176.600 -0.082 0.000 0.984 40 E CA 1.026 57.382 56.400 -0.073 0.000 0.806 40 E CB -0.216 29.441 29.700 -0.072 0.000 0.750 40 E HN 0.340 nan 8.360 nan 0.000 0.458 41 A N 1.241 123.996 122.820 -0.108 0.000 1.969 41 A HA -0.051 4.271 4.320 0.002 0.000 0.218 41 A C 2.412 179.948 177.584 -0.080 0.000 1.169 41 A CA 1.222 53.195 52.037 -0.108 0.000 0.635 41 A CB -0.505 18.398 19.000 -0.160 0.000 0.810 41 A HN 0.212 nan 8.150 nan 0.000 0.445 42 V N 0.188 120.060 119.914 -0.070 0.000 2.283 42 V HA -0.236 3.885 4.120 0.002 0.000 0.243 42 V C 2.402 178.452 176.094 -0.073 0.000 1.039 42 V CA 1.928 64.192 62.300 -0.061 0.000 1.016 42 V CB -0.630 31.167 31.823 -0.044 0.000 0.650 42 V HN 0.579 nan 8.190 nan 0.000 0.449 43 I N 0.616 121.147 120.570 -0.066 0.000 2.248 43 I HA -0.264 3.908 4.170 0.002 0.000 0.248 43 I C 2.165 178.246 176.117 -0.060 0.000 1.107 43 I CA 1.460 62.723 61.300 -0.062 0.000 1.373 43 I CB -0.503 37.466 38.000 -0.051 0.000 1.055 43 I HN 0.352 nan 8.210 nan 0.000 0.418 44 N N 0.927 119.591 118.700 -0.058 0.000 2.573 44 N HA -0.087 4.654 4.740 0.002 0.000 0.187 44 N C 0.699 176.176 175.510 -0.055 0.000 1.107 44 N CA 0.835 53.855 53.050 -0.050 0.000 0.918 44 N CB -0.159 38.298 38.487 -0.050 0.000 0.966 44 N HN 0.471 nan 8.380 nan 0.000 0.448 45 N N -0.291 118.365 118.700 -0.074 0.000 2.241 45 N HA 0.108 4.849 4.740 0.002 0.000 0.238 45 N C 0.751 176.174 175.510 -0.145 0.000 1.244 45 N CA -0.126 52.874 53.050 -0.083 0.000 0.880 45 N CB 0.871 39.319 38.487 -0.065 0.000 1.179 45 N HN 0.150 nan 8.380 nan 0.000 0.513 46 K N 1.217 121.505 120.400 -0.185 0.000 2.020 46 K HA -0.147 4.174 4.320 0.002 0.000 0.212 46 K C 1.362 177.640 176.600 -0.537 0.000 1.050 46 K CA 1.241 57.294 56.287 -0.390 0.000 0.929 46 K CB 0.174 32.505 32.500 -0.281 0.000 0.714 46 K HN 0.120 nan 8.250 nan 0.000 0.443 47 E N 0.436 120.520 120.200 -0.193 0.000 2.058 47 E HA -0.186 4.165 4.350 0.002 0.000 0.194 47 E C 2.069 178.657 176.600 -0.019 0.000 0.997 47 E CA 1.343 57.747 56.400 0.006 0.000 0.801 47 E CB -0.312 29.434 29.700 0.077 0.000 0.746 47 E HN 0.352 nan 8.360 nan 0.000 0.450 48 A N 1.049 123.837 122.820 -0.053 0.000 1.972 48 A HA -0.123 4.199 4.320 0.002 0.000 0.219 48 A C 2.375 179.936 177.584 -0.039 0.000 1.169 48 A CA 0.951 52.974 52.037 -0.024 0.000 0.635 48 A CB -0.576 18.410 19.000 -0.024 0.000 0.810 48 A HN 0.158 nan 8.150 nan 0.000 0.446 49 L N -1.948 119.196 121.223 -0.131 0.000 2.044 49 L HA -0.166 4.175 4.340 0.002 0.000 0.205 49 L C 2.575 179.411 176.870 -0.056 0.000 1.075 49 L CA 1.197 55.957 54.840 -0.132 0.000 0.747 49 L CB -0.723 41.201 42.059 -0.225 0.000 0.903 49 L HN 0.421 nan 8.230 nan 0.000 0.435 50 Y N 0.258 120.566 120.300 0.014 0.000 2.053 50 Y HA -0.297 4.254 4.550 0.002 0.000 0.277 50 Y C 2.992 178.899 175.900 0.012 0.000 1.159 50 Y CA 1.361 59.468 58.100 0.011 0.000 1.125 50 Y CB -1.282 37.183 38.460 0.008 0.000 0.969 50 Y HN 0.107 nan 8.280 nan 0.000 0.492 51 S N -0.093 115.714 115.700 0.178 0.000 2.353 51 S HA -0.263 4.208 4.470 0.002 0.000 0.222 51 S C 2.383 177.027 174.600 0.075 0.000 1.035 51 S CA 1.304 59.566 58.200 0.104 0.000 1.025 51 S CB -0.927 62.318 63.200 0.076 0.000 0.902 51 S HN 0.529 nan 8.310 nan 0.000 0.440 52 A N 1.196 124.051 122.820 0.058 0.000 1.883 52 A HA -0.073 4.248 4.320 0.002 0.000 0.217 52 A C 2.165 179.782 177.584 0.055 0.000 1.186 52 A CA 1.408 53.474 52.037 0.048 0.000 0.624 52 A CB -0.774 18.247 19.000 0.036 0.000 0.822 52 A HN 0.461 nan 8.150 nan 0.000 0.444 53 L N -1.178 120.082 121.223 0.062 0.000 2.156 53 L HA -0.099 4.242 4.340 0.002 0.000 0.208 53 L C 3.070 179.974 176.870 0.057 0.000 1.095 53 L CA 0.739 55.614 54.840 0.058 0.000 0.770 53 L CB -0.457 41.638 42.059 0.059 0.000 0.914 53 L HN 0.452 nan 8.230 nan 0.000 0.439 54 A N 0.102 122.964 122.820 0.070 0.000 1.877 54 A HA -0.266 4.056 4.320 0.002 0.000 0.216 54 A C 2.166 179.776 177.584 0.043 0.000 1.186 54 A CA 1.973 54.042 52.037 0.054 0.000 0.620 54 A CB -0.466 18.568 19.000 0.056 0.000 0.822 54 A HN 0.368 nan 8.150 nan 0.000 0.443 55 E N 0.479 120.706 120.200 0.046 0.000 2.031 55 E HA -0.193 4.158 4.350 0.002 0.000 0.193 55 E C 1.454 178.078 176.600 0.040 0.000 0.994 55 E CA 1.909 58.332 56.400 0.039 0.000 0.800 55 E CB -0.276 29.448 29.700 0.039 0.000 0.752 55 E HN 0.543 nan 8.360 nan 0.000 0.447 56 D N -0.771 119.657 120.400 0.048 0.000 2.123 56 D HA -0.042 4.599 4.640 0.002 0.000 0.200 56 D C 1.462 177.797 176.300 0.059 0.000 0.976 56 D CA 1.040 55.073 54.000 0.055 0.000 0.831 56 D CB 0.218 41.061 40.800 0.072 0.000 0.974 56 D HN 0.260 nan 8.370 nan 0.000 0.469 57 L N -1.641 119.615 121.223 0.054 0.000 3.217 57 L HA 0.279 4.620 4.340 0.002 0.000 0.288 57 L C 0.930 177.821 176.870 0.034 0.000 1.202 57 L CA 0.111 54.983 54.840 0.054 0.000 1.027 57 L CB 1.239 43.327 42.059 0.050 0.000 1.427 57 L HN 0.044 nan 8.230 nan 0.000 0.600 58 G N 1.428 110.247 108.800 0.031 0.000 2.198 58 G HA2 -0.265 3.696 3.960 0.002 0.000 0.257 58 G HA3 -0.265 3.696 3.960 0.002 0.000 0.257 58 G C 0.104 175.017 174.900 0.022 0.000 1.042 58 G CA 0.016 45.131 45.100 0.026 0.000 0.791 58 G HN 0.287 nan 8.290 nan 0.000 0.502 59 K N 0.849 121.263 120.400 0.023 0.000 2.349 59 K HA 0.312 4.633 4.320 0.002 0.000 0.288 59 K C -2.194 174.425 176.600 0.032 0.000 1.058 59 K CA -1.396 54.904 56.287 0.021 0.000 0.953 59 K CB 0.941 33.451 32.500 0.016 0.000 0.997 59 K HN 0.106 nan 8.250 nan 0.000 0.477 60 P HA 0.001 nan 4.420 nan 0.000 0.269 60 P C 0.577 177.875 177.300 -0.002 0.000 1.209 60 P CA -0.179 62.923 63.100 0.004 0.000 0.776 60 P CB 0.710 32.416 31.700 0.011 0.000 0.876 61 K N 1.633 121.984 120.400 -0.081 0.000 2.074 61 K HA -0.224 4.097 4.320 0.002 0.000 0.209 61 K C 1.010 177.565 176.600 -0.075 0.000 1.048 61 K CA 1.793 57.958 56.287 -0.203 0.000 0.926 61 K CB -0.246 31.986 32.500 -0.447 0.000 0.713 61 K HN 0.375 nan 8.250 nan 0.000 0.444 62 D N -0.147 120.221 120.400 -0.054 0.000 2.264 62 D HA -0.103 4.538 4.640 0.002 0.000 0.208 62 D C 1.707 178.024 176.300 0.029 0.000 0.966 62 D CA 0.672 54.663 54.000 -0.014 0.000 0.864 62 D CB 0.181 40.967 40.800 -0.022 0.000 0.933 62 D HN 0.051 nan 8.370 nan 0.000 0.499 63 V N 0.002 119.947 119.914 0.052 0.000 2.446 63 V HA -0.122 3.999 4.120 0.002 0.000 0.244 63 V C 2.519 178.675 176.094 0.103 0.000 1.039 63 V CA 0.619 62.971 62.300 0.086 0.000 1.045 63 V CB -0.146 31.734 31.823 0.095 0.000 0.681 63 V HN 0.040 nan 8.190 nan 0.000 0.459 64 V N 0.381 120.368 119.914 0.122 0.000 2.469 64 V HA -0.260 3.862 4.120 0.002 0.000 0.251 64 V C 2.175 178.363 176.094 0.158 0.000 1.064 64 V CA 2.083 64.480 62.300 0.161 0.000 1.066 64 V CB -0.662 31.320 31.823 0.265 0.000 0.667 64 V HN 0.542 nan 8.190 nan 0.000 0.461 65 D N -0.588 119.906 120.400 0.156 0.000 2.194 65 D HA -0.052 4.589 4.640 0.002 0.000 0.204 65 D C 1.829 178.156 176.300 0.045 0.000 0.964 65 D CA 0.823 54.896 54.000 0.122 0.000 0.846 65 D CB 0.106 40.972 40.800 0.111 0.000 0.962 65 D HN 0.412 nan 8.370 nan 0.000 0.490 66 L N 0.365 121.588 121.223 -0.001 0.000 2.071 66 L HA 0.171 4.512 4.340 0.002 0.000 0.201 66 L C 1.869 178.601 176.870 -0.231 0.000 1.076 66 L CA 1.651 56.410 54.840 -0.136 0.000 0.755 66 L CB -0.543 41.427 42.059 -0.148 0.000 0.915 66 L HN -0.075 nan 8.230 nan 0.000 0.445 67 A N -1.741 121.049 122.820 -0.050 0.000 2.195 67 A HA 0.138 4.460 4.320 0.002 0.000 0.210 67 A C 1.796 179.527 177.584 0.246 0.000 1.165 67 A CA 0.504 52.619 52.037 0.131 0.000 0.806 67 A CB -0.173 19.100 19.000 0.456 0.000 0.847 67 A HN 0.543 nan 8.150 nan 0.000 0.482 68 E N -0.449 119.847 120.200 0.161 0.000 2.645 68 E HA 0.191 4.542 4.350 0.002 0.000 0.198 68 E C 1.833 178.486 176.600 0.088 0.000 1.091 68 E CA 0.120 56.610 56.400 0.150 0.000 1.096 68 E CB -0.448 29.327 29.700 0.124 0.000 2.013 68 E HN 0.419 nan 8.360 nan 0.000 0.537 69 I N 1.815 122.418 120.570 0.055 0.000 2.099 69 I HA -0.197 3.974 4.170 0.002 0.000 0.239 69 I C 2.543 178.676 176.117 0.028 0.000 1.066 69 I CA 1.727 63.039 61.300 0.019 0.000 1.324 69 I CB -0.722 37.269 38.000 -0.015 0.000 1.037 69 I HN 0.227 nan 8.210 nan 0.000 0.401 70 G N 0.351 109.180 108.800 0.049 0.000 2.442 70 G HA2 -0.236 3.725 3.960 0.002 0.000 0.219 70 G HA3 -0.236 3.725 3.960 0.002 0.000 0.219 70 G C 1.859 176.888 174.900 0.214 0.000 1.141 70 G CA 0.885 46.043 45.100 0.096 0.000 0.763 70 G HN 0.512 nan 8.290 nan 0.000 0.554 71 A N 0.409 123.295 122.820 0.110 0.000 1.883 71 A HA 0.010 4.331 4.320 0.002 0.000 0.217 71 A C 2.718 180.357 177.584 0.092 0.000 1.186 71 A CA 2.511 54.616 52.037 0.113 0.000 0.624 71 A CB -0.893 18.203 19.000 0.159 0.000 0.822 71 A HN 0.983 nan 8.150 nan 0.000 0.444 72 V N -0.794 119.161 119.914 0.069 0.000 2.453 72 V HA -0.130 3.991 4.120 0.002 0.000 0.247 72 V C 2.178 178.294 176.094 0.036 0.000 1.048 72 V CA 1.951 64.280 62.300 0.049 0.000 1.049 72 V CB -0.599 31.255 31.823 0.051 0.000 0.672 72 V HN 0.480 nan 8.190 nan 0.000 0.457 73 L N -0.061 121.161 121.223 -0.001 0.000 2.046 73 L HA -0.135 4.206 4.340 0.002 0.000 0.208 73 L C 2.706 179.522 176.870 -0.088 0.000 1.077 73 L CA 2.315 57.111 54.840 -0.073 0.000 0.747 73 L CB -0.920 41.045 42.059 -0.157 0.000 0.896 73 L HN 0.402 nan 8.230 nan 0.000 0.432 74 H N -0.953 118.125 119.070 0.013 0.000 2.353 74 H HA -0.204 4.353 4.556 0.002 0.000 0.300 74 H C 2.225 177.587 175.328 0.057 0.000 1.090 74 H CA 1.550 57.615 56.048 0.028 0.000 1.327 74 H CB 0.096 29.855 29.762 -0.005 0.000 1.383 74 H HN 0.209 nan 8.280 nan 0.000 0.508 75 E N 0.716 120.995 120.200 0.131 0.000 2.077 75 E HA -0.110 4.242 4.350 0.002 0.000 0.193 75 E C 1.992 178.699 176.600 0.179 0.000 0.989 75 E CA 0.890 57.352 56.400 0.103 0.000 0.800 75 E CB -0.210 29.497 29.700 0.013 0.000 0.746 75 E HN 0.456 nan 8.360 nan 0.000 0.452 76 I N 0.867 121.509 120.570 0.120 0.000 2.179 76 I HA -0.274 3.897 4.170 0.002 0.000 0.242 76 I C 1.690 177.868 176.117 0.101 0.000 1.088 76 I CA 1.408 62.771 61.300 0.106 0.000 1.357 76 I CB -0.292 37.743 38.000 0.058 0.000 1.051 76 I HN 0.120 nan 8.210 nan 0.000 0.409 77 D N 0.433 120.887 120.400 0.089 0.000 2.144 77 D HA -0.194 4.447 4.640 0.002 0.000 0.200 77 D C 1.958 178.323 176.300 0.109 0.000 0.978 77 D CA 1.217 55.255 54.000 0.064 0.000 0.833 77 D CB -0.332 40.494 40.800 0.043 0.000 0.961 77 D HN 0.253 nan 8.370 nan 0.000 0.470 78 F N 1.640 121.620 119.950 0.050 0.000 2.171 78 F HA -0.162 4.366 4.527 0.002 0.000 0.300 78 F C 2.199 178.049 175.800 0.083 0.000 1.090 78 F CA 1.414 59.470 58.000 0.093 0.000 1.293 78 F CB 0.012 39.049 39.000 0.061 0.000 1.013 78 F HN -0.077 nan 8.300 nan 0.000 0.486 79 A N 0.344 123.295 122.820 0.219 0.000 1.873 79 A HA -0.108 4.213 4.320 0.002 0.000 0.215 79 A C 2.215 179.669 177.584 -0.218 0.000 1.186 79 A CA 1.571 53.638 52.037 0.049 0.000 0.616 79 A CB -1.151 18.004 19.000 0.258 0.000 0.823 79 A HN 0.443 nan 8.150 nan 0.000 0.442 80 L N -0.638 120.517 121.223 -0.113 0.000 2.127 80 L HA -0.206 4.135 4.340 0.002 0.000 0.211 80 L C 2.928 179.631 176.870 -0.278 0.000 1.089 80 L CA 1.023 55.769 54.840 -0.157 0.000 0.757 80 L CB -0.347 41.659 42.059 -0.088 0.000 0.899 80 L HN 0.447 nan 8.230 nan 0.000 0.434 81 A N -1.335 121.285 122.820 -0.333 0.000 2.119 81 A HA -0.152 4.170 4.320 0.002 0.000 0.217 81 A C 1.561 178.646 177.584 -0.832 0.000 1.153 81 A CA 1.278 53.013 52.037 -0.503 0.000 0.692 81 A CB -0.511 18.196 19.000 -0.488 0.000 0.799 81 A HN 0.518 nan 8.150 nan 0.000 0.458 82 H N -2.800 115.740 119.070 -0.884 0.000 3.241 82 H HA 0.236 4.793 4.556 0.002 0.000 0.260 82 H C 1.410 175.897 175.328 -1.403 0.000 1.084 82 H CA -0.014 55.280 56.048 -1.257 0.000 1.203 82 H CB 0.319 28.999 29.762 -1.804 0.000 1.524 82 H HN 0.299 nan 8.280 nan 0.000 0.521 83 L N 1.171 121.855 121.223 -0.898 0.000 2.079 83 L HA -0.168 4.173 4.340 0.002 0.000 0.210 83 L C 1.191 177.848 176.870 -0.355 0.000 1.081 83 L CA 1.785 56.292 54.840 -0.555 0.000 0.752 83 L CB -0.274 41.639 42.059 -0.244 0.000 0.896 83 L HN 0.195 nan 8.230 nan 0.000 0.433 84 D N -0.601 119.609 120.400 -0.316 0.000 2.149 84 D HA -0.237 4.404 4.640 0.002 0.000 0.198 84 D C 2.066 178.256 176.300 -0.183 0.000 0.990 84 D CA 1.431 55.309 54.000 -0.202 0.000 0.839 84 D CB 0.026 40.713 40.800 -0.188 0.000 0.948 84 D HN 0.552 nan 8.370 nan 0.000 0.460 85 E N -0.499 119.543 120.200 -0.263 0.000 2.028 85 E HA -0.136 4.215 4.350 0.002 0.000 0.190 85 E C 1.916 178.496 176.600 -0.032 0.000 0.984 85 E CA 0.622 56.930 56.400 -0.153 0.000 0.800 85 E CB -0.025 29.574 29.700 -0.167 0.000 0.758 85 E HN 0.252 nan 8.360 nan 0.000 0.448 86 W N 0.346 121.472 121.300 -0.289 0.000 2.341 86 W HA -0.128 4.533 4.660 0.002 0.000 0.283 86 W C 2.075 178.386 176.519 -0.345 0.000 1.215 86 W CA 0.371 57.459 57.345 -0.429 0.000 1.211 86 W CB -0.956 28.038 29.460 -0.777 0.000 1.131 86 W HN 0.051 nan 8.180 nan 0.000 0.552 87 V N 0.206 120.100 119.914 -0.035 0.000 3.406 87 V HA 0.199 4.320 4.120 0.002 0.000 0.263 87 V C 1.161 177.320 176.094 0.109 0.000 1.172 87 V CA 0.527 62.864 62.300 0.061 0.000 1.140 87 V CB -0.971 30.872 31.823 0.034 0.000 0.784 87 V HN -0.003 nan 8.190 nan 0.000 0.467 88 A N 1.569 124.430 122.820 0.068 0.000 2.454 88 A HA 0.491 4.812 4.320 0.002 0.000 0.260 88 A C -2.142 175.493 177.584 0.084 0.000 1.106 88 A CA -1.003 51.064 52.037 0.050 0.000 0.780 88 A CB -0.356 18.654 19.000 0.016 0.000 1.044 88 A HN 0.263 nan 8.150 nan 0.000 0.498 89 P HA 0.110 nan 4.420 nan 0.000 0.264 89 P C -0.658 176.687 177.300 0.075 0.000 1.179 89 P CA 0.168 63.319 63.100 0.084 0.000 0.763 89 P CB 0.435 32.116 31.700 -0.031 0.000 0.806 90 V N 3.231 123.230 119.914 0.142 0.000 2.328 90 V HA 0.199 4.320 4.120 0.002 0.000 0.278 90 V C 0.569 176.757 176.094 0.157 0.000 1.021 90 V CA -0.368 62.008 62.300 0.125 0.000 0.838 90 V CB 1.010 32.911 31.823 0.131 0.000 0.999 90 V HN 0.686 nan 8.190 nan 0.000 0.447 91 S N 5.612 121.377 115.700 0.109 0.000 2.592 91 S HA 0.723 5.194 4.470 0.002 0.000 0.271 91 S C -0.257 174.410 174.600 0.111 0.000 1.326 91 S CA -0.348 57.933 58.200 0.134 0.000 1.024 91 S CB 1.703 64.945 63.200 0.070 0.000 0.921 91 S HN 1.182 nan 8.310 nan 0.000 0.527 92 V N -1.642 118.339 119.914 0.111 0.000 3.160 92 V HA 0.806 4.927 4.120 0.002 0.000 0.310 92 V C -3.067 173.064 176.094 0.062 0.000 1.181 92 V CA -2.483 59.863 62.300 0.076 0.000 1.047 92 V CB 0.312 32.175 31.823 0.067 0.000 1.068 92 V HN 0.776 nan 8.190 nan 0.000 0.441 93 P HA 0.473 nan 4.420 nan 0.000 0.274 93 P C -0.697 176.623 177.300 0.034 0.000 1.246 93 P CA -0.088 63.035 63.100 0.038 0.000 0.795 93 P CB 0.626 32.345 31.700 0.031 0.000 1.006 94 S N 1.274 116.991 115.700 0.030 0.000 2.498 94 S HA 0.502 4.973 4.470 0.002 0.000 0.317 94 S C -2.324 172.287 174.600 0.019 0.000 1.090 94 S CA -0.928 57.286 58.200 0.023 0.000 1.089 94 S CB 0.494 63.709 63.200 0.024 0.000 0.997 94 S HN 0.349 nan 8.310 nan 0.000 0.470 95 P HA 0.189 nan 4.420 nan 0.000 0.270 95 P C 0.315 177.622 177.300 0.011 0.000 1.223 95 P CA -0.334 62.774 63.100 0.013 0.000 0.785 95 P CB 0.507 32.213 31.700 0.011 0.000 0.923 96 D N 0.495 120.901 120.400 0.010 0.000 2.178 96 D HA -0.108 4.533 4.640 0.002 0.000 0.201 96 D C 1.702 178.007 176.300 0.008 0.000 0.980 96 D CA 1.101 55.107 54.000 0.010 0.000 0.842 96 D CB -0.187 40.618 40.800 0.009 0.000 0.948 96 D HN 0.486 nan 8.370 nan 0.000 0.472 97 I N -0.528 120.047 120.570 0.007 0.000 2.700 97 I HA -0.108 4.063 4.170 0.002 0.000 0.261 97 I C 2.073 178.193 176.117 0.005 0.000 1.219 97 I CA 0.980 62.283 61.300 0.006 0.000 1.463 97 I CB -0.549 37.454 38.000 0.005 0.000 1.092 97 I HN -0.040 nan 8.210 nan 0.000 0.452 98 I N -1.249 119.324 120.570 0.006 0.000 3.974 98 I HA 0.563 4.734 4.170 0.002 0.000 0.334 98 I C 0.962 177.084 176.117 0.008 0.000 1.437 98 I CA -0.697 60.606 61.300 0.006 0.000 1.113 98 I CB -0.099 37.903 38.000 0.004 0.000 1.063 98 I HN 0.050 nan 8.210 nan 0.000 0.400 99 A N 2.926 125.752 122.820 0.009 0.000 2.388 99 A HA 0.642 4.963 4.320 0.002 0.000 0.257 99 A C -2.147 175.443 177.584 0.010 0.000 1.095 99 A CA -0.866 51.178 52.037 0.011 0.000 0.791 99 A CB -0.545 18.462 19.000 0.011 0.000 1.029 99 A HN 0.323 nan 8.150 nan 0.000 0.489 100 P HA 0.577 nan 4.420 nan 0.000 0.282 100 P C -0.631 176.679 177.300 0.016 0.000 1.249 100 P CA -0.307 62.801 63.100 0.014 0.000 0.806 100 P CB 1.438 33.146 31.700 0.014 0.000 0.984 101 S N 0.208 115.921 115.700 0.021 0.000 2.543 101 S HA 0.327 4.798 4.470 0.002 0.000 0.274 101 S C -1.716 172.906 174.600 0.037 0.000 1.149 101 S CA -0.676 57.539 58.200 0.024 0.000 0.866 101 S CB 1.106 64.316 63.200 0.017 0.000 1.111 101 S HN 0.451 nan 8.310 nan 0.000 0.457 102 E N 1.432 121.663 120.200 0.052 0.000 2.199 102 E HA 0.562 4.913 4.350 0.002 0.000 0.265 102 E C -1.293 175.371 176.600 0.105 0.000 0.882 102 E CA -0.558 55.894 56.400 0.086 0.000 0.759 102 E CB 1.580 31.342 29.700 0.103 0.000 1.148 102 E HN 0.526 nan 8.360 nan 0.000 0.412 103 C N 2.582 121.951 119.300 0.115 0.000 2.707 103 C HA 0.764 5.225 4.460 0.002 0.000 0.313 103 C C -1.152 173.951 174.990 0.189 0.000 1.209 103 C CA -0.818 58.237 59.018 0.061 0.000 1.635 103 C CB 0.250 27.999 27.740 0.015 0.000 2.206 103 C HN 0.868 nan 8.230 nan 0.000 0.485 104 Y N -0.398 119.911 120.300 0.014 0.000 2.713 104 Y HA 0.736 5.287 4.550 0.002 0.000 0.335 104 Y C -1.103 174.804 175.900 0.012 0.000 1.222 104 Y CA -1.277 56.833 58.100 0.016 0.000 1.061 104 Y CB 0.618 39.089 38.460 0.018 0.000 1.314 104 Y HN 0.650 nan 8.280 nan 0.000 0.453 105 V N 1.194 121.225 119.914 0.195 0.000 2.680 105 V HA 0.911 5.032 4.120 0.002 0.000 0.309 105 V C -1.737 174.456 176.094 0.164 0.000 1.052 105 V CA -0.794 61.554 62.300 0.080 0.000 0.908 105 V CB 1.560 33.400 31.823 0.029 0.000 1.001 105 V HN 0.865 nan 8.190 nan 0.000 0.431 106 V N 5.513 125.471 119.914 0.075 0.000 2.555 106 V HA 0.532 4.653 4.120 0.002 0.000 0.302 106 V C -0.477 175.594 176.094 -0.039 0.000 1.038 106 V CA -0.585 61.766 62.300 0.084 0.000 0.887 106 V CB 1.952 33.826 31.823 0.084 0.000 0.991 106 V HN 0.955 nan 8.190 nan 0.000 0.434 107 Q N 3.465 123.269 119.800 0.007 0.000 2.390 107 Q HA 0.340 4.681 4.340 0.002 0.000 0.249 107 Q C -0.326 175.578 176.000 -0.159 0.000 0.996 107 Q CA -0.043 55.684 55.803 -0.126 0.000 0.899 107 Q CB 1.785 30.471 28.738 -0.086 0.000 1.216 107 Q HN 0.815 nan 8.270 nan 0.000 0.465 108 E N 4.166 124.180 120.200 -0.311 0.000 2.175 108 E HA 0.371 4.723 4.350 0.002 0.000 0.278 108 E C -2.388 174.137 176.600 -0.126 0.000 0.969 108 E CA -2.248 54.050 56.400 -0.170 0.000 0.796 108 E CB 1.291 30.887 29.700 -0.172 0.000 1.104 108 E HN 0.149 nan 8.360 nan 0.000 0.395 109 P HA -0.092 nan 4.420 nan 0.000 0.266 109 P C -0.533 176.785 177.300 0.029 0.000 1.193 109 P CA 0.462 63.603 63.100 0.069 0.000 0.770 109 P CB 0.298 32.177 31.700 0.299 0.000 0.836 110 Y N 1.431 121.761 120.300 0.051 0.000 2.206 110 Y HA 0.125 4.676 4.550 0.002 0.000 0.292 110 Y C 2.102 177.891 175.900 -0.185 0.000 1.123 110 Y CA 2.184 60.284 58.100 -0.000 0.000 1.142 110 Y CB -0.595 37.872 38.460 0.012 0.000 1.006 110 Y HN 0.655 nan 8.280 nan 0.000 0.518 111 G N -1.089 107.516 108.800 -0.324 0.000 1.930 111 G HA2 -0.104 3.857 3.960 0.002 0.000 0.054 111 G HA3 -0.104 3.857 3.960 0.002 0.000 0.054 111 G C -1.337 173.181 174.900 -0.637 0.000 0.902 111 G CA -0.365 44.025 45.100 -1.184 0.000 1.168 111 G HN -0.108 nan 8.290 nan 0.000 0.383 112 V N 2.930 122.667 119.914 -0.296 0.000 2.333 112 V HA 0.598 4.719 4.120 0.002 0.000 0.274 112 V C 0.824 177.107 176.094 0.314 0.000 1.028 112 V CA 0.387 62.653 62.300 -0.057 0.000 0.851 112 V CB 0.407 32.071 31.823 -0.265 0.000 1.000 112 V HN 1.149 nan 8.190 nan 0.000 0.456 113 T N 2.158 116.925 114.554 0.355 0.000 2.952 113 T HA 0.663 5.014 4.350 0.002 0.000 0.286 113 T C -1.013 173.913 174.700 0.376 0.000 1.024 113 T CA -0.672 61.697 62.100 0.448 0.000 1.029 113 T CB 1.925 71.097 68.868 0.506 0.000 1.094 113 T HN 0.439 nan 8.240 nan 0.000 0.515 114 Y N 1.191 121.410 120.300 -0.134 0.000 2.329 114 Y HA 0.629 5.180 4.550 0.002 0.000 0.328 114 Y C -1.501 174.315 175.900 -0.140 0.000 0.992 114 Y CA -2.304 55.528 58.100 -0.447 0.000 1.151 114 Y CB 0.989 38.524 38.460 -1.542 0.000 1.150 114 Y HN 0.751 nan 8.280 nan 0.000 0.450 115 I N 7.997 128.425 120.570 -0.237 0.000 2.355 115 I HA 0.379 4.550 4.170 0.002 0.000 0.288 115 I C -0.606 175.282 176.117 -0.383 0.000 0.999 115 I CA -0.577 60.603 61.300 -0.200 0.000 1.163 115 I CB 1.259 39.236 38.000 -0.038 0.000 1.316 115 I HN 0.506 nan 8.210 nan 0.000 0.454 116 I N 5.762 126.101 120.570 -0.385 0.000 2.315 116 I HA 0.357 4.529 4.170 0.002 0.000 0.291 116 I C 0.828 176.851 176.117 -0.157 0.000 1.006 116 I CA -0.215 60.923 61.300 -0.271 0.000 1.265 116 I CB 1.294 39.217 38.000 -0.128 0.000 1.387 116 I HN 0.579 nan 8.210 nan 0.000 0.475 117 G N 7.041 115.789 108.800 -0.086 0.000 2.389 117 G HA2 0.668 4.629 3.960 0.002 0.000 0.317 117 G HA3 0.668 4.629 3.960 0.002 0.000 0.317 117 G C -2.814 172.058 174.900 -0.046 0.000 1.137 117 G CA -1.197 43.872 45.100 -0.052 0.000 0.870 117 G HN 0.292 nan 8.290 nan 0.000 0.496 118 P HA 0.273 nan 4.420 nan 0.000 0.280 118 P C 0.536 177.878 177.300 0.069 0.000 1.272 118 P CA -0.853 62.234 63.100 -0.022 0.000 0.819 118 P CB 0.834 32.477 31.700 -0.095 0.000 1.122 119 F N 0.874 120.876 119.950 0.086 0.000 2.187 119 F HA -0.078 4.450 4.527 0.002 0.000 0.295 119 F C 1.700 177.572 175.800 0.121 0.000 1.091 119 F CA 1.287 59.346 58.000 0.099 0.000 1.308 119 F CB -1.558 37.502 39.000 0.100 0.000 1.030 119 F HN 0.150 nan 8.300 nan 0.000 0.487 120 N N 0.144 118.188 118.700 -1.092 0.000 2.223 120 N HA -0.232 4.509 4.740 0.002 0.000 0.185 120 N C -0.242 175.086 175.510 -0.303 0.000 1.016 120 N CA 1.478 54.028 53.050 -0.833 0.000 0.863 120 N CB -0.924 37.146 38.487 -0.695 0.000 0.983 120 N HN 0.587 nan 8.380 nan 0.000 0.429 121 Y N -0.647 119.572 120.300 -0.135 0.000 2.490 121 Y HA 0.390 4.941 4.550 0.002 0.000 0.346 121 Y C -1.852 174.054 175.900 0.009 0.000 1.023 121 Y CA -1.845 56.240 58.100 -0.024 0.000 1.142 121 Y CB 2.025 40.483 38.460 -0.003 0.000 1.126 121 Y HN -0.004 nan 8.280 nan 0.000 0.647 122 P HA -0.182 nan 4.420 nan 0.000 0.216 122 P C 1.524 178.881 177.300 0.096 0.000 1.150 122 P CA 1.271 64.428 63.100 0.094 0.000 0.837 122 P CB 0.440 32.192 31.700 0.088 0.000 0.786 123 V N 0.179 120.152 119.914 0.099 0.000 2.346 123 V HA -0.167 3.954 4.120 0.002 0.000 0.244 123 V C 2.427 178.583 176.094 0.105 0.000 1.037 123 V CA 1.960 64.311 62.300 0.085 0.000 1.029 123 V CB -1.382 30.480 31.823 0.065 0.000 0.663 123 V HN 0.181 nan 8.190 nan 0.000 0.454 124 N N 1.012 119.801 118.700 0.147 0.000 2.069 124 N HA -0.135 4.606 4.740 0.002 0.000 0.191 124 N C 1.510 177.107 175.510 0.144 0.000 1.031 124 N CA 1.761 54.899 53.050 0.148 0.000 0.852 124 N CB -0.248 38.349 38.487 0.184 0.000 1.018 124 N HN 0.477 nan 8.380 nan 0.000 0.423 125 L N 0.477 121.790 121.223 0.151 0.000 2.612 125 L HA 0.111 4.452 4.340 0.002 0.000 0.230 125 L C 1.640 178.567 176.870 0.095 0.000 1.140 125 L CA 0.580 55.511 54.840 0.153 0.000 0.896 125 L CB -0.117 42.024 42.059 0.136 0.000 1.065 125 L HN 0.305 nan 8.230 nan 0.000 0.447 126 T N -4.803 109.794 114.554 0.072 0.000 3.058 126 T HA 0.152 4.503 4.350 0.002 0.000 0.247 126 T C 1.625 176.334 174.700 0.016 0.000 0.987 126 T CA -0.066 62.053 62.100 0.031 0.000 1.062 126 T CB -0.063 68.829 68.868 0.039 0.000 1.048 126 T HN 0.115 nan 8.240 nan 0.000 0.468 127 L N 1.191 122.441 121.223 0.046 0.000 2.209 127 L HA 0.095 4.436 4.340 0.002 0.000 0.207 127 L C 2.938 179.834 176.870 0.044 0.000 1.094 127 L CA 1.126 55.993 54.840 0.045 0.000 0.790 127 L CB -0.856 41.239 42.059 0.060 0.000 0.932 127 L HN 0.306 nan 8.230 nan 0.000 0.447 128 T N 0.400 115.004 114.554 0.083 0.000 2.674 128 T HA -0.095 4.256 4.350 0.002 0.000 0.265 128 T C -0.522 174.259 174.700 0.135 0.000 1.039 128 T CA 1.330 63.512 62.100 0.138 0.000 1.150 128 T CB -1.138 67.852 68.868 0.202 0.000 0.864 128 T HN 0.191 nan 8.240 nan 0.000 0.427 129 P HA -0.036 nan 4.420 nan 0.000 0.216 129 P C 1.646 178.729 177.300 -0.361 0.000 1.150 129 P CA 0.588 63.456 63.100 -0.387 0.000 0.837 129 P CB -0.207 30.984 31.700 -0.848 0.000 0.786 130 L N -0.851 120.241 121.223 -0.219 0.000 2.131 130 L HA -0.130 4.211 4.340 0.002 0.000 0.210 130 L C 2.079 178.815 176.870 -0.225 0.000 1.092 130 L CA 1.619 56.321 54.840 -0.229 0.000 0.759 130 L CB -1.110 40.889 42.059 -0.100 0.000 0.903 130 L HN -0.127 nan 8.230 nan 0.000 0.435 131 I N -0.358 120.152 120.570 -0.099 0.000 2.163 131 I HA -0.255 3.917 4.170 0.002 0.000 0.243 131 I C 2.523 178.596 176.117 -0.073 0.000 1.085 131 I CA 1.410 62.704 61.300 -0.011 0.000 1.347 131 I CB -1.221 36.835 38.000 0.094 0.000 1.044 131 I HN 0.436 nan 8.210 nan 0.000 0.408 132 G N 0.514 109.194 108.800 -0.199 0.000 2.446 132 G HA2 -0.277 3.684 3.960 0.002 0.000 0.217 132 G HA3 -0.277 3.684 3.960 0.002 0.000 0.217 132 G C 1.881 176.246 174.900 -0.892 0.000 1.168 132 G CA 0.923 45.817 45.100 -0.343 0.000 0.771 132 G HN 0.501 nan 8.290 nan 0.000 0.551 133 A N 0.705 122.608 122.820 -1.528 0.000 1.892 133 A HA -0.061 4.260 4.320 0.002 0.000 0.218 133 A C 2.442 179.861 177.584 -0.274 0.000 1.188 133 A CA 1.606 53.089 52.037 -0.924 0.000 0.631 133 A CB -0.413 18.233 19.000 -0.590 0.000 0.822 133 A HN 0.406 nan 8.150 nan 0.000 0.447 134 I N 0.168 120.624 120.570 -0.191 0.000 2.163 134 I HA -0.228 3.943 4.170 0.002 0.000 0.240 134 I C 2.474 178.695 176.117 0.172 0.000 1.081 134 I CA 1.746 63.065 61.300 0.031 0.000 1.353 134 I CB -0.372 37.650 38.000 0.037 0.000 1.054 134 I HN 0.581 nan 8.210 nan 0.000 0.407 135 I N -1.014 119.663 120.570 0.178 0.000 2.614 135 I HA -0.041 4.130 4.170 0.002 0.000 0.258 135 I C 2.184 178.566 176.117 0.441 0.000 1.189 135 I CA 1.502 62.997 61.300 0.324 0.000 1.462 135 I CB -0.960 37.281 38.000 0.402 0.000 1.092 135 I HN 0.118 nan 8.210 nan 0.000 0.442 136 G N 0.929 109.911 108.800 0.303 0.000 2.598 136 G HA2 0.177 4.139 3.960 0.002 0.000 0.215 136 G HA3 0.177 4.139 3.960 0.002 0.000 0.215 136 G C 1.353 176.394 174.900 0.235 0.000 1.131 136 G CA 0.465 45.703 45.100 0.230 0.000 0.785 136 G HN 0.869 nan 8.290 nan 0.000 0.539 137 G N -0.566 108.405 108.800 0.284 0.000 2.137 137 G HA2 -0.258 3.703 3.960 0.002 0.000 0.237 137 G HA3 -0.258 3.703 3.960 0.002 0.000 0.237 137 G C 0.212 175.325 174.900 0.355 0.000 1.002 137 G CA 0.062 45.355 45.100 0.321 0.000 0.702 137 G HN 0.520 nan 8.290 nan 0.000 0.515 138 N N 0.139 118.997 118.700 0.264 0.000 2.447 138 N HA 0.599 5.340 4.740 0.002 0.000 0.271 138 N C 0.829 176.465 175.510 0.210 0.000 1.226 138 N CA 0.400 53.552 53.050 0.170 0.000 0.980 138 N CB 1.040 39.598 38.487 0.118 0.000 1.206 138 N HN 0.490 nan 8.380 nan 0.000 0.558 139 T N -2.857 111.766 114.554 0.116 0.000 2.880 139 T HA 0.553 4.905 4.350 0.002 0.000 0.279 139 T C -0.090 174.595 174.700 -0.025 0.000 0.990 139 T CA -0.606 61.529 62.100 0.059 0.000 0.938 139 T CB 1.089 70.068 68.868 0.186 0.000 1.206 139 T HN 0.643 nan 8.240 nan 0.000 0.573 140 C N 0.624 119.887 119.300 -0.061 0.000 3.146 140 C HA 0.600 5.062 4.460 0.002 0.000 0.405 140 C C -1.464 173.577 174.990 0.086 0.000 1.012 140 C CA -0.812 58.218 59.018 0.019 0.000 1.217 140 C CB -0.364 27.309 27.740 -0.111 0.000 1.599 140 C HN 0.940 nan 8.230 nan 0.000 0.567 141 I N 6.253 126.976 120.570 0.255 0.000 2.378 141 I HA 0.518 4.690 4.170 0.002 0.000 0.291 141 I C -0.336 175.973 176.117 0.320 0.000 0.992 141 I CA -0.400 61.083 61.300 0.305 0.000 1.154 141 I CB 1.471 39.746 38.000 0.460 0.000 1.315 141 I HN 0.498 nan 8.210 nan 0.000 0.448 142 I N 6.658 127.355 120.570 0.212 0.000 2.378 142 I HA 0.323 4.494 4.170 0.002 0.000 0.291 142 I C -0.022 176.194 176.117 0.165 0.000 0.992 142 I CA -0.631 60.752 61.300 0.138 0.000 1.154 142 I CB 1.511 39.556 38.000 0.075 0.000 1.315 142 I HN 0.447 nan 8.210 nan 0.000 0.448 143 K N 8.508 128.987 120.400 0.131 0.000 2.414 143 K HA 0.455 4.776 4.320 0.002 0.000 0.251 143 K C -2.629 174.001 176.600 0.051 0.000 1.037 143 K CA -1.643 54.721 56.287 0.128 0.000 0.980 143 K CB 1.260 33.894 32.500 0.223 0.000 1.280 143 K HN 0.183 nan 8.250 nan 0.000 0.451 144 P HA -0.012 nan 4.420 nan 0.000 0.274 144 P C -0.580 176.761 177.300 0.068 0.000 1.260 144 P CA -0.440 62.696 63.100 0.059 0.000 0.793 144 P CB 0.667 32.410 31.700 0.073 0.000 1.048 145 S N -0.133 115.622 115.700 0.092 0.000 2.528 145 S HA 0.027 4.498 4.470 0.002 0.000 0.277 145 S C 1.212 175.883 174.600 0.118 0.000 1.297 145 S CA -0.354 57.916 58.200 0.118 0.000 1.052 145 S CB -0.225 63.083 63.200 0.181 0.000 0.917 145 S HN 0.529 nan 8.310 nan 0.000 0.492 146 E N 2.910 123.176 120.200 0.110 0.000 2.478 146 E HA -0.059 4.292 4.350 0.002 0.000 0.198 146 E C 0.783 177.457 176.600 0.122 0.000 1.046 146 E CA 0.861 57.343 56.400 0.137 0.000 0.870 146 E CB -0.316 29.485 29.700 0.169 0.000 0.818 146 E HN 0.618 nan 8.360 nan 0.000 0.527 147 T N 0.882 115.499 114.554 0.105 0.000 3.148 147 T HA -0.013 4.338 4.350 0.002 0.000 0.253 147 T C 0.519 175.264 174.700 0.075 0.000 1.134 147 T CA 1.105 63.242 62.100 0.062 0.000 1.051 147 T CB 0.101 68.973 68.868 0.007 0.000 0.959 147 T HN 0.327 nan 8.240 nan 0.000 0.525 148 T N -0.438 114.186 114.554 0.116 0.000 3.504 148 T HA 0.353 4.704 4.350 0.002 0.000 0.286 148 T C -2.460 172.299 174.700 0.099 0.000 1.530 148 T CA -1.541 60.628 62.100 0.115 0.000 1.652 148 T CB 1.363 70.325 68.868 0.156 0.000 0.895 148 T HN -0.120 nan 8.240 nan 0.000 0.674 149 P HA -0.123 nan 4.420 nan 0.000 0.214 149 P C 1.606 178.951 177.300 0.075 0.000 1.163 149 P CA 1.115 64.267 63.100 0.086 0.000 0.889 149 P CB 0.283 32.024 31.700 0.068 0.000 0.790 150 E N -1.027 119.211 120.200 0.063 0.000 2.058 150 E HA -0.140 4.211 4.350 0.002 0.000 0.194 150 E C 1.978 178.611 176.600 0.055 0.000 0.997 150 E CA 1.881 58.313 56.400 0.054 0.000 0.801 150 E CB -1.161 28.568 29.700 0.048 0.000 0.746 150 E HN 0.160 nan 8.360 nan 0.000 0.450 151 T N -0.541 114.050 114.554 0.062 0.000 2.896 151 T HA -0.040 4.311 4.350 0.002 0.000 0.263 151 T C 2.015 176.752 174.700 0.062 0.000 1.050 151 T CA 1.049 63.183 62.100 0.057 0.000 1.140 151 T CB -0.255 68.650 68.868 0.061 0.000 0.877 151 T HN 0.038 nan 8.240 nan 0.000 0.457 152 S N 1.584 117.330 115.700 0.078 0.000 2.365 152 S HA -0.130 4.341 4.470 0.002 0.000 0.225 152 S C 2.572 177.219 174.600 0.078 0.000 1.039 152 S CA 1.132 59.383 58.200 0.084 0.000 1.033 152 S CB -0.605 62.656 63.200 0.101 0.000 0.887 152 S HN 0.603 nan 8.310 nan 0.000 0.447 153 A N 1.081 123.947 122.820 0.076 0.000 1.883 153 A HA -0.093 4.228 4.320 0.002 0.000 0.217 153 A C 2.343 179.958 177.584 0.052 0.000 1.186 153 A CA 1.850 53.928 52.037 0.067 0.000 0.624 153 A CB -0.955 18.081 19.000 0.060 0.000 0.822 153 A HN 0.374 nan 8.150 nan 0.000 0.444 154 V N 0.147 120.085 119.914 0.041 0.000 2.427 154 V HA -0.248 3.873 4.120 0.002 0.000 0.248 154 V C 2.384 178.494 176.094 0.026 0.000 1.051 154 V CA 1.855 64.169 62.300 0.024 0.000 1.048 154 V CB -0.813 31.015 31.823 0.009 0.000 0.666 154 V HN 0.561 nan 8.190 nan 0.000 0.456 155 I N 0.322 120.915 120.570 0.040 0.000 2.226 155 I HA -0.282 3.890 4.170 0.002 0.000 0.245 155 I C 2.625 178.777 176.117 0.058 0.000 1.100 155 I CA 2.065 63.394 61.300 0.048 0.000 1.374 155 I CB -0.381 37.654 38.000 0.058 0.000 1.057 155 I HN 0.405 nan 8.210 nan 0.000 0.413 156 E N 1.494 121.733 120.200 0.065 0.000 2.085 156 E HA -0.312 4.039 4.350 0.002 0.000 0.194 156 E C 2.217 178.851 176.600 0.058 0.000 0.994 156 E CA 1.562 58.005 56.400 0.072 0.000 0.801 156 E CB 0.008 29.756 29.700 0.079 0.000 0.743 156 E HN 0.338 nan 8.360 nan 0.000 0.453 157 K N 0.348 120.773 120.400 0.041 0.000 2.057 157 K HA -0.133 4.188 4.320 0.002 0.000 0.206 157 K C 2.138 178.743 176.600 0.008 0.000 1.050 157 K CA 1.493 57.795 56.287 0.024 0.000 0.935 157 K CB -0.119 32.390 32.500 0.016 0.000 0.715 157 K HN 0.168 nan 8.250 nan 0.000 0.439 158 I N 1.154 121.727 120.570 0.004 0.000 2.179 158 I HA -0.300 3.872 4.170 0.002 0.000 0.242 158 I C 2.117 178.220 176.117 -0.022 0.000 1.088 158 I CA 0.778 62.066 61.300 -0.020 0.000 1.357 158 I CB -0.311 37.681 38.000 -0.013 0.000 1.051 158 I HN 0.186 nan 8.210 nan 0.000 0.409 159 I N 1.287 121.883 120.570 0.044 0.000 2.163 159 I HA -0.286 3.885 4.170 0.002 0.000 0.243 159 I C 2.894 179.070 176.117 0.098 0.000 1.085 159 I CA 1.846 63.220 61.300 0.122 0.000 1.347 159 I CB -1.694 36.409 38.000 0.172 0.000 1.044 159 I HN 0.197 nan 8.210 nan 0.000 0.408 160 A N 0.190 123.052 122.820 0.071 0.000 1.940 160 A HA -0.229 4.092 4.320 0.002 0.000 0.219 160 A C 2.288 179.881 177.584 0.015 0.000 1.176 160 A CA 1.721 53.795 52.037 0.061 0.000 0.631 160 A CB -0.635 18.396 19.000 0.051 0.000 0.814 160 A HN 0.503 nan 8.150 nan 0.000 0.446 161 E N -0.646 119.535 120.200 -0.032 0.000 2.047 161 E HA -0.103 4.248 4.350 0.002 0.000 0.191 161 E C 2.305 178.812 176.600 -0.156 0.000 0.987 161 E CA 1.014 57.369 56.400 -0.075 0.000 0.799 161 E CB -0.215 29.435 29.700 -0.083 0.000 0.752 161 E HN 0.624 nan 8.360 nan 0.000 0.449 162 A N 0.304 122.936 122.820 -0.314 0.000 1.970 162 A HA 0.029 4.351 4.320 0.002 0.000 0.216 162 A C 0.390 177.594 177.584 -0.633 0.000 1.170 162 A CA 0.739 52.376 52.037 -0.667 0.000 0.645 162 A CB 0.139 18.406 19.000 -1.222 0.000 0.816 162 A HN 0.090 nan 8.150 nan 0.000 0.447 163 F N -1.331 118.663 119.950 0.072 0.000 2.565 163 F HA 0.659 5.187 4.527 0.002 0.000 0.313 163 F C 0.416 176.271 175.800 0.091 0.000 1.091 163 F CA -1.498 56.578 58.000 0.126 0.000 0.915 163 F CB 1.340 40.445 39.000 0.175 0.000 1.208 163 F HN 0.103 nan 8.300 nan 0.000 0.453 164 A N 3.444 126.436 122.820 0.287 0.000 2.511 164 A HA 0.380 4.701 4.320 0.002 0.000 0.242 164 A C -1.716 175.954 177.584 0.143 0.000 1.069 164 A CA -0.974 51.150 52.037 0.145 0.000 0.763 164 A CB -0.151 18.878 19.000 0.049 0.000 1.001 164 A HN 0.614 nan 8.150 nan 0.000 0.498 165 P HA -0.195 nan 4.420 nan 0.000 0.222 165 P C 1.068 178.397 177.300 0.049 0.000 1.142 165 P CA 1.602 64.750 63.100 0.081 0.000 0.788 165 P CB 0.175 31.915 31.700 0.068 0.000 0.767 166 E N -2.093 118.095 120.200 -0.019 0.000 2.385 166 E HA -0.148 4.203 4.350 0.002 0.000 0.194 166 E C 1.395 178.003 176.600 0.014 0.000 1.013 166 E CA 0.555 56.919 56.400 -0.060 0.000 0.866 166 E CB -0.629 28.951 29.700 -0.200 0.000 0.832 166 E HN 0.255 nan 8.360 nan 0.000 0.500 167 Y N 1.774 121.991 120.300 -0.139 0.000 2.259 167 Y HA 0.254 4.805 4.550 0.002 0.000 0.285 167 Y C 0.566 176.487 175.900 0.035 0.000 1.130 167 Y CA 0.329 58.471 58.100 0.069 0.000 1.144 167 Y CB 0.370 38.900 38.460 0.118 0.000 1.093 167 Y HN -0.210 nan 8.280 nan 0.000 0.507 168 V N 1.618 121.416 119.914 -0.194 0.000 2.531 168 V HA 0.809 4.930 4.120 0.002 0.000 0.301 168 V C -0.812 175.295 176.094 0.022 0.000 1.034 168 V CA -0.469 61.659 62.300 -0.286 0.000 0.865 168 V CB 0.758 32.167 31.823 -0.689 0.000 0.995 168 V HN 0.421 nan 8.190 nan 0.000 0.424 169 A N 3.902 126.753 122.820 0.051 0.000 2.515 169 A HA 0.891 5.213 4.320 0.002 0.000 0.298 169 A C -1.229 176.427 177.584 0.120 0.000 1.059 169 A CA -0.582 51.520 52.037 0.108 0.000 0.698 169 A CB 2.064 21.129 19.000 0.109 0.000 1.289 169 A HN 0.612 nan 8.150 nan 0.000 0.404 170 V N 2.350 122.337 119.914 0.122 0.000 2.472 170 V HA 0.451 4.572 4.120 0.002 0.000 0.290 170 V C -0.353 175.813 176.094 0.121 0.000 1.037 170 V CA -0.153 62.218 62.300 0.120 0.000 0.908 170 V CB 1.331 33.217 31.823 0.106 0.000 0.985 170 V HN 0.666 nan 8.190 nan 0.000 0.454 171 I N 4.740 125.386 120.570 0.127 0.000 2.495 171 I HA 0.303 4.475 4.170 0.002 0.000 0.277 171 I C 0.095 176.247 176.117 0.057 0.000 1.045 171 I CA -0.361 61.003 61.300 0.106 0.000 1.135 171 I CB 1.333 39.407 38.000 0.123 0.000 1.241 171 I HN 0.623 nan 8.210 nan 0.000 0.469 172 Q N 4.131 123.960 119.800 0.048 0.000 2.330 172 Q HA 0.482 4.823 4.340 0.002 0.000 0.279 172 Q C 0.366 176.135 176.000 -0.386 0.000 1.024 172 Q CA 0.079 55.867 55.803 -0.024 0.000 0.900 172 Q CB 1.463 30.287 28.738 0.143 0.000 1.221 172 Q HN 0.838 nan 8.270 nan 0.000 0.396 173 G N 0.357 108.768 108.800 -0.648 0.000 2.506 173 G HA2 0.551 4.512 3.960 0.002 0.000 0.292 173 G HA3 0.551 4.512 3.960 0.002 0.000 0.292 173 G C -0.976 173.546 174.900 -0.630 0.000 1.425 173 G CA -0.263 44.118 45.100 -1.199 0.000 0.788 173 G HN 0.651 nan 8.290 nan 0.000 0.490 174 G N -1.062 107.516 108.800 -0.371 0.000 2.890 174 G HA2 0.486 4.447 3.960 0.002 0.000 0.189 174 G HA3 0.486 4.447 3.960 0.002 0.000 0.189 174 G C 0.893 175.804 174.900 0.018 0.000 1.342 174 G CA -0.276 44.813 45.100 -0.018 0.000 1.026 174 G HN 0.505 nan 8.290 nan 0.000 0.579 175 R N 0.205 120.740 120.500 0.059 0.000 2.096 175 R HA -0.073 4.268 4.340 0.002 0.000 0.240 175 R C 1.900 178.234 176.300 0.056 0.000 1.139 175 R CA 1.619 57.753 56.100 0.057 0.000 0.952 175 R CB -0.909 29.424 30.300 0.055 0.000 0.854 175 R HN 0.473 nan 8.270 nan 0.000 0.436 176 D N 0.858 121.294 120.400 0.060 0.000 2.104 176 D HA -0.135 4.506 4.640 0.002 0.000 0.194 176 D C 1.891 178.234 176.300 0.071 0.000 0.994 176 D CA 1.184 55.221 54.000 0.061 0.000 0.830 176 D CB -0.153 40.684 40.800 0.060 0.000 0.959 176 D HN 0.207 nan 8.370 nan 0.000 0.452 177 E N 0.306 120.532 120.200 0.044 0.000 2.110 177 E HA -0.135 4.216 4.350 0.002 0.000 0.193 177 E C 1.723 178.375 176.600 0.087 0.000 0.988 177 E CA 0.723 57.150 56.400 0.044 0.000 0.804 177 E CB -0.292 29.364 29.700 -0.073 0.000 0.745 177 E HN 0.170 nan 8.360 nan 0.000 0.458 178 N N -0.055 118.694 118.700 0.082 0.000 2.080 178 N HA -0.130 4.612 4.740 0.002 0.000 0.189 178 N C 1.592 177.164 175.510 0.104 0.000 1.036 178 N CA 1.754 54.884 53.050 0.133 0.000 0.846 178 N CB -0.294 38.274 38.487 0.135 0.000 1.015 178 N HN 0.151 nan 8.380 nan 0.000 0.423 179 S N -1.243 114.505 115.700 0.079 0.000 2.400 179 S HA -0.218 4.253 4.470 0.002 0.000 0.232 179 S C 2.006 176.638 174.600 0.052 0.000 1.025 179 S CA 1.429 59.662 58.200 0.055 0.000 0.993 179 S CB -0.773 62.455 63.200 0.046 0.000 0.808 179 S HN 0.603 nan 8.310 nan 0.000 0.478 180 H N 1.621 120.681 119.070 -0.016 0.000 2.333 180 H HA 0.198 4.755 4.556 0.002 0.000 0.302 180 H C 1.852 177.126 175.328 -0.089 0.000 1.075 180 H CA 1.681 57.702 56.048 -0.045 0.000 1.348 180 H CB -0.510 29.227 29.762 -0.041 0.000 1.393 180 H HN 0.346 nan 8.280 nan 0.000 0.509 181 L N -0.076 121.030 121.223 -0.195 0.000 2.083 181 L HA -0.166 4.175 4.340 0.002 0.000 0.209 181 L C 2.394 179.126 176.870 -0.231 0.000 1.083 181 L CA 0.983 55.634 54.840 -0.314 0.000 0.752 181 L CB -0.354 41.441 42.059 -0.440 0.000 0.899 181 L HN 0.333 nan 8.230 nan 0.000 0.433 182 L N -0.510 120.644 121.223 -0.115 0.000 2.362 182 L HA -0.138 4.203 4.340 0.002 0.000 0.219 182 L C 2.415 179.283 176.870 -0.004 0.000 1.134 182 L CA 1.136 55.975 54.840 -0.001 0.000 0.807 182 L CB -0.373 41.709 42.059 0.039 0.000 0.927 182 L HN 0.404 nan 8.230 nan 0.000 0.447 183 S N -1.270 114.365 115.700 -0.108 0.000 2.575 183 S HA 0.188 4.659 4.470 0.002 0.000 0.215 183 S C 0.639 175.134 174.600 -0.175 0.000 0.966 183 S CA -0.408 57.760 58.200 -0.053 0.000 0.911 183 S CB -0.115 63.034 63.200 -0.086 0.000 0.780 183 S HN 0.190 nan 8.310 nan 0.000 0.514 184 L N 1.367 122.326 121.223 -0.439 0.000 2.399 184 L HA 0.451 4.792 4.340 0.002 0.000 0.265 184 L C -2.352 174.013 176.870 -0.842 0.000 1.089 184 L CA -2.742 51.584 54.840 -0.856 0.000 0.802 184 L CB 0.704 41.855 42.059 -1.514 0.000 1.180 184 L HN -0.095 nan 8.230 nan 0.000 0.454 185 P HA 0.076 nan 4.420 nan 0.000 0.238 185 P C -0.487 176.825 177.300 0.020 0.000 1.714 185 P CA -0.071 62.744 63.100 -0.474 0.000 0.908 185 P CB -0.522 31.058 31.700 -0.199 0.000 1.893 186 F N 1.018 121.011 119.950 0.072 0.000 2.589 186 F HA -0.038 4.490 4.527 0.002 0.000 0.352 186 F C 1.778 177.633 175.800 0.091 0.000 1.168 186 F CA 0.928 59.042 58.000 0.191 0.000 1.353 186 F CB 0.389 39.478 39.000 0.148 0.000 1.116 186 F HN 0.100 nan 8.300 nan 0.000 0.608 187 D N 1.091 121.675 120.400 0.306 0.000 2.354 187 D HA 0.027 4.668 4.640 0.002 0.000 0.209 187 D C -0.412 175.994 176.300 0.176 0.000 1.015 187 D CA 0.920 55.037 54.000 0.195 0.000 0.867 187 D CB 0.334 41.215 40.800 0.135 0.000 0.933 187 D HN 0.238 nan 8.370 nan 0.000 0.520 188 F N 0.565 120.521 119.950 0.010 0.000 2.669 188 F HA 0.323 4.852 4.527 0.002 0.000 0.315 188 F C -2.079 173.688 175.800 -0.055 0.000 1.109 188 F CA -0.880 57.015 58.000 -0.175 0.000 1.028 188 F CB 1.124 39.919 39.000 -0.342 0.000 1.287 188 F HN -0.347 nan 8.300 nan 0.000 0.452 189 I N 6.222 126.268 120.570 -0.873 0.000 2.447 189 I HA 0.338 4.509 4.170 0.002 0.000 0.287 189 I C -1.470 174.190 176.117 -0.762 0.000 1.023 189 I CA -0.692 60.261 61.300 -0.579 0.000 1.083 189 I CB 1.907 39.692 38.000 -0.360 0.000 1.245 189 I HN 0.538 nan 8.210 nan 0.000 0.434 190 F N 7.829 127.499 119.950 -0.468 0.000 2.361 190 F HA 0.505 5.033 4.527 0.002 0.000 0.364 190 F C -1.079 174.608 175.800 -0.189 0.000 1.117 190 F CA -0.672 57.155 58.000 -0.288 0.000 1.071 190 F CB 0.826 39.841 39.000 0.025 0.000 1.188 190 F HN 0.318 nan 8.300 nan 0.000 0.464 191 F N 5.244 124.919 119.950 -0.458 0.000 2.482 191 F HA 0.593 5.121 4.527 0.002 0.000 0.331 191 F C -0.922 174.714 175.800 -0.273 0.000 1.115 191 F CA -0.271 57.555 58.000 -0.291 0.000 0.955 191 F CB 1.573 40.400 39.000 -0.288 0.000 1.136 191 F HN 0.275 nan 8.300 nan 0.000 0.452 192 T N 4.813 118.789 114.554 -0.963 0.000 2.786 192 T HA 0.794 5.145 4.350 0.002 0.000 0.283 192 T C -0.078 173.923 174.700 -1.163 0.000 0.992 192 T CA -0.248 61.410 62.100 -0.736 0.000 0.954 192 T CB 1.149 69.890 68.868 -0.211 0.000 0.934 192 T HN 1.106 nan 8.240 nan 0.000 0.440 193 G N 1.881 110.239 108.800 -0.736 0.000 2.399 193 G HA2 0.447 4.408 3.960 0.002 0.000 0.256 193 G HA3 0.447 4.408 3.960 0.002 0.000 0.256 193 G C -0.808 174.104 174.900 0.019 0.000 1.236 193 G CA -0.374 44.513 45.100 -0.355 0.000 0.914 193 G HN 0.899 nan 8.290 nan 0.000 0.482 194 S N 0.540 116.324 115.700 0.141 0.000 2.610 194 S HA 0.592 5.063 4.470 0.002 0.000 0.273 194 S C -1.488 173.175 174.600 0.106 0.000 1.274 194 S CA -0.512 57.727 58.200 0.065 0.000 1.023 194 S CB 2.181 65.390 63.200 0.015 0.000 0.962 194 S HN 0.284 nan 8.310 nan 0.000 0.523 195 P HA -0.155 nan 4.420 nan 0.000 0.214 195 P C 1.101 178.386 177.300 -0.026 0.000 1.169 195 P CA 1.372 64.474 63.100 0.003 0.000 0.908 195 P CB -0.113 31.583 31.700 -0.007 0.000 0.791 196 N N -0.983 117.704 118.700 -0.021 0.000 2.149 196 N HA -0.105 4.636 4.740 0.002 0.000 0.188 196 N C 1.573 177.040 175.510 -0.072 0.000 1.019 196 N CA 1.030 54.056 53.050 -0.041 0.000 0.857 196 N CB -1.047 37.426 38.487 -0.023 0.000 0.997 196 N HN 0.046 nan 8.380 nan 0.000 0.426 197 V N -0.024 119.853 119.914 -0.060 0.000 2.871 197 V HA 0.020 4.141 4.120 0.002 0.000 0.256 197 V C 2.346 178.182 176.094 -0.429 0.000 1.082 197 V CA 1.435 63.648 62.300 -0.146 0.000 1.105 197 V CB -0.947 30.883 31.823 0.012 0.000 0.713 197 V HN 0.280 nan 8.190 nan 0.000 0.473 198 G N 0.475 109.059 108.800 -0.360 0.000 2.418 198 G HA2 -0.239 3.722 3.960 0.002 0.000 0.217 198 G HA3 -0.239 3.722 3.960 0.002 0.000 0.217 198 G C 1.645 176.337 174.900 -0.346 0.000 1.158 198 G CA 0.768 45.588 45.100 -0.466 0.000 0.771 198 G HN 0.479 nan 8.290 nan 0.000 0.545 199 K N -0.074 120.193 120.400 -0.221 0.000 2.097 199 K HA -0.009 4.313 4.320 0.002 0.000 0.206 199 K C 2.533 179.024 176.600 -0.181 0.000 1.049 199 K CA 0.974 57.159 56.287 -0.169 0.000 0.933 199 K CB -0.221 32.209 32.500 -0.117 0.000 0.717 199 K HN 0.228 nan 8.250 nan 0.000 0.442 200 V N 0.882 120.674 119.914 -0.204 0.000 2.358 200 V HA -0.201 3.920 4.120 0.002 0.000 0.246 200 V C 2.230 178.195 176.094 -0.214 0.000 1.047 200 V CA 1.385 63.578 62.300 -0.179 0.000 1.035 200 V CB -0.219 31.511 31.823 -0.156 0.000 0.658 200 V HN 0.076 nan 8.190 nan 0.000 0.452 201 V N -0.595 119.113 119.914 -0.344 0.000 2.343 201 V HA -0.330 3.791 4.120 0.002 0.000 0.247 201 V C 2.289 178.234 176.094 -0.249 0.000 1.051 201 V CA 2.553 64.643 62.300 -0.350 0.000 1.036 201 V CB -0.522 30.919 31.823 -0.637 0.000 0.654 201 V HN 0.517 nan 8.190 nan 0.000 0.451 202 M N -0.649 118.801 119.600 -0.249 0.000 2.175 202 M HA -0.207 4.274 4.480 0.002 0.000 0.264 202 M C 2.329 178.545 176.300 -0.140 0.000 1.063 202 M CA 1.718 56.905 55.300 -0.189 0.000 1.119 202 M CB -0.188 32.304 32.600 -0.179 0.000 1.377 202 M HN 0.376 nan 8.290 nan 0.000 0.415 203 Q N -0.122 119.599 119.800 -0.131 0.000 2.079 203 Q HA -0.171 4.170 4.340 0.002 0.000 0.200 203 Q C 1.839 177.783 176.000 -0.093 0.000 0.974 203 Q CA 1.703 57.443 55.803 -0.104 0.000 0.840 203 Q CB -0.099 28.582 28.738 -0.096 0.000 0.898 203 Q HN 0.647 nan 8.270 nan 0.000 0.430 204 A N 0.879 123.647 122.820 -0.087 0.000 1.877 204 A HA -0.103 4.218 4.320 0.002 0.000 0.216 204 A C 2.305 179.878 177.584 -0.018 0.000 1.186 204 A CA 1.681 53.688 52.037 -0.050 0.000 0.620 204 A CB -0.950 18.032 19.000 -0.031 0.000 0.822 204 A HN 0.538 nan 8.150 nan 0.000 0.443 205 A N -0.064 122.733 122.820 -0.039 0.000 1.940 205 A HA 0.104 4.426 4.320 0.002 0.000 0.219 205 A C 2.488 180.057 177.584 -0.026 0.000 1.176 205 A CA 2.181 54.208 52.037 -0.018 0.000 0.631 205 A CB -1.030 17.912 19.000 -0.097 0.000 0.814 205 A HN 1.121 nan 8.150 nan 0.000 0.446 206 A N 0.227 123.006 122.820 -0.069 0.000 1.917 206 A HA -0.219 4.102 4.320 0.002 0.000 0.219 206 A C 2.023 179.548 177.584 -0.099 0.000 1.182 206 A CA 1.876 53.867 52.037 -0.077 0.000 0.633 206 A CB -0.501 18.448 19.000 -0.085 0.000 0.819 206 A HN 0.591 nan 8.150 nan 0.000 0.448 207 K N -1.129 119.174 120.400 -0.161 0.000 2.442 207 K HA -0.091 4.231 4.320 0.002 0.000 0.198 207 K C 0.483 176.806 176.600 -0.462 0.000 1.042 207 K CA 1.110 57.214 56.287 -0.305 0.000 0.958 207 K CB -0.122 32.150 32.500 -0.380 0.000 0.766 207 K HN 0.653 nan 8.250 nan 0.000 0.474 208 H N -0.089 118.966 119.070 -0.026 0.000 2.662 208 H HA 0.226 4.783 4.556 0.002 0.000 0.268 208 H C -0.060 175.265 175.328 -0.004 0.000 1.152 208 H CA -0.209 55.833 56.048 -0.010 0.000 1.072 208 H CB 0.296 30.060 29.762 0.004 0.000 1.660 208 H HN 0.004 nan 8.280 nan 0.000 0.584 209 L N 1.868 123.120 121.223 0.049 0.000 3.739 209 L HA -0.198 4.143 4.340 0.002 0.000 0.442 209 L C -0.457 176.436 176.870 0.037 0.000 1.241 209 L CA 0.596 55.452 54.840 0.026 0.000 0.819 209 L CB -1.853 40.221 42.059 0.025 0.000 1.679 209 L HN 0.202 nan 8.230 nan 0.000 0.889 210 T N 0.443 115.017 114.554 0.033 0.000 2.744 210 T HA 0.474 4.826 4.350 0.002 0.000 0.291 210 T C -1.910 172.732 174.700 -0.096 0.000 0.957 210 T CA -1.130 60.972 62.100 0.002 0.000 1.002 210 T CB 1.330 70.223 68.868 0.041 0.000 0.919 210 T HN 0.036 nan 8.240 nan 0.000 0.468 211 P HA 0.397 nan 4.420 nan 0.000 0.272 211 P C -0.884 176.168 177.300 -0.413 0.000 1.223 211 P CA -0.494 62.506 63.100 -0.167 0.000 0.784 211 P CB 0.641 32.281 31.700 -0.099 0.000 0.923 212 V N 2.375 122.056 119.914 -0.390 0.000 2.841 212 V HA 0.347 4.468 4.120 0.002 0.000 0.310 212 V C -0.734 175.080 176.094 -0.467 0.000 1.090 212 V CA -0.760 61.205 62.300 -0.557 0.000 0.930 212 V CB 2.716 34.324 31.823 -0.358 0.000 1.014 212 V HN 0.183 nan 8.190 nan 0.000 0.425 213 V N 6.583 126.127 119.914 -0.616 0.000 2.448 213 V HA 0.561 4.683 4.120 0.002 0.000 0.295 213 V C -0.592 175.168 176.094 -0.557 0.000 1.025 213 V CA -0.485 61.518 62.300 -0.496 0.000 0.859 213 V CB 1.754 33.271 31.823 -0.510 0.000 0.988 213 V HN 0.638 nan 8.190 nan 0.000 0.431 214 L N 4.986 125.983 121.223 -0.378 0.000 2.342 214 L HA 0.580 4.921 4.340 0.002 0.000 0.276 214 L C -0.202 176.530 176.870 -0.229 0.000 0.997 214 L CA -0.502 54.202 54.840 -0.226 0.000 0.838 214 L CB 1.687 43.675 42.059 -0.119 0.000 1.224 214 L HN 0.497 nan 8.230 nan 0.000 0.416 215 E N 5.376 125.420 120.200 -0.261 0.000 2.046 215 E HA 0.457 4.809 4.350 0.002 0.000 0.279 215 E C -0.378 176.169 176.600 -0.088 0.000 0.989 215 E CA -0.147 56.154 56.400 -0.164 0.000 0.798 215 E CB 1.975 31.631 29.700 -0.074 0.000 1.086 215 E HN 0.536 nan 8.360 nan 0.000 0.399 216 L N 0.396 121.581 121.223 -0.063 0.000 2.755 216 L HA 0.705 5.046 4.340 0.002 0.000 0.243 216 L C 1.069 177.927 176.870 -0.020 0.000 1.579 216 L CA -0.844 53.984 54.840 -0.018 0.000 1.669 216 L CB 0.495 42.553 42.059 -0.002 0.000 2.294 216 L HN 0.471 nan 8.230 nan 0.000 0.588 217 G N -2.141 106.653 108.800 -0.011 0.000 3.247 217 G HA2 0.718 4.679 3.960 0.002 0.000 0.199 217 G HA3 0.718 4.679 3.960 0.002 0.000 0.199 217 G C -0.715 174.196 174.900 0.019 0.000 1.172 217 G CA -0.269 44.835 45.100 0.006 0.000 0.844 217 G HN 0.975 nan 8.290 nan 0.000 0.619 218 G N -1.215 107.612 108.800 0.045 0.000 2.302 218 G HA2 0.307 4.268 3.960 0.002 0.000 0.276 218 G HA3 0.307 4.268 3.960 0.002 0.000 0.276 218 G C -1.608 173.343 174.900 0.085 0.000 1.316 218 G CA -0.662 44.478 45.100 0.068 0.000 0.988 218 G HN 0.625 nan 8.290 nan 0.000 0.479 219 K N 0.034 120.490 120.400 0.094 0.000 2.521 219 K HA 0.522 4.844 4.320 0.002 0.000 0.248 219 K C -0.564 176.124 176.600 0.147 0.000 0.978 219 K CA -0.530 55.836 56.287 0.131 0.000 0.947 219 K CB 1.435 33.974 32.500 0.065 0.000 1.165 219 K HN 0.618 nan 8.250 nan 0.000 0.445 220 C N 4.252 123.577 119.300 0.042 0.000 2.629 220 C HA 0.233 4.694 4.460 0.002 0.000 0.410 220 C C -1.858 172.988 174.990 -0.239 0.000 1.339 220 C CA -1.414 57.552 59.018 -0.086 0.000 1.810 220 C CB -0.899 26.760 27.740 -0.135 0.000 2.549 220 C HN 0.554 nan 8.230 nan 0.000 0.589 221 P HA 0.414 nan 4.420 nan 0.000 0.282 221 P C -0.779 176.437 177.300 -0.141 0.000 1.249 221 P CA -0.361 62.430 63.100 -0.515 0.000 0.806 221 P CB 0.608 32.226 31.700 -0.137 0.000 0.984 222 L N 3.826 124.989 121.223 -0.099 0.000 2.318 222 L HA 0.503 4.844 4.340 0.002 0.000 0.277 222 L C -0.912 176.054 176.870 0.161 0.000 1.008 222 L CA -0.583 54.340 54.840 0.138 0.000 0.846 222 L CB 0.244 42.347 42.059 0.072 0.000 1.220 222 L HN 0.244 nan 8.230 nan 0.000 0.423 223 I N 5.449 126.171 120.570 0.253 0.000 2.321 223 I HA 0.328 4.500 4.170 0.002 0.000 0.291 223 I C -0.568 175.729 176.117 0.299 0.000 0.998 223 I CA -0.763 60.704 61.300 0.277 0.000 1.227 223 I CB 1.813 39.930 38.000 0.195 0.000 1.368 223 I HN 0.215 nan 8.210 nan 0.000 0.466 224 V N 7.455 127.549 119.914 0.300 0.000 2.334 224 V HA 0.345 4.466 4.120 0.002 0.000 0.281 224 V C 0.347 176.574 176.094 0.222 0.000 1.016 224 V CA -0.576 61.858 62.300 0.223 0.000 0.832 224 V CB 1.271 33.156 31.823 0.103 0.000 0.999 224 V HN 0.520 nan 8.190 nan 0.000 0.439 225 L N 6.555 127.896 121.223 0.197 0.000 2.464 225 L HA 0.214 4.555 4.340 0.002 0.000 0.264 225 L C -1.031 175.829 176.870 -0.017 0.000 1.199 225 L CA -1.339 53.570 54.840 0.115 0.000 0.818 225 L CB 0.612 42.721 42.059 0.085 0.000 1.102 225 L HN 0.376 nan 8.230 nan 0.000 0.473 226 P HA -0.196 nan 4.420 nan 0.000 0.217 226 P C 0.510 177.743 177.300 -0.111 0.000 1.151 226 P CA 1.325 64.277 63.100 -0.247 0.000 0.849 226 P CB 0.006 31.445 31.700 -0.434 0.000 0.787 227 D N -1.581 118.777 120.400 -0.070 0.000 2.325 227 D HA 0.148 4.789 4.640 0.002 0.000 0.225 227 D C 0.348 176.652 176.300 0.005 0.000 1.096 227 D CA -0.387 53.594 54.000 -0.033 0.000 0.844 227 D CB -0.780 40.003 40.800 -0.030 0.000 0.925 227 D HN 0.008 nan 8.370 nan 0.000 0.513 228 A N 0.594 123.431 122.820 0.028 0.000 2.445 228 A HA 0.160 4.481 4.320 0.002 0.000 0.242 228 A C 0.271 177.894 177.584 0.065 0.000 1.075 228 A CA -0.301 51.783 52.037 0.078 0.000 0.777 228 A CB 0.233 19.309 19.000 0.127 0.000 1.013 228 A HN 0.168 nan 8.150 nan 0.000 0.493 229 D N 2.306 122.760 120.400 0.090 0.000 2.344 229 D HA 0.160 4.801 4.640 0.002 0.000 0.253 229 D C 1.000 177.345 176.300 0.075 0.000 1.255 229 D CA -0.002 54.041 54.000 0.072 0.000 0.894 229 D CB 0.210 41.055 40.800 0.075 0.000 1.067 229 D HN 0.442 nan 8.370 nan 0.000 0.492 230 L N 2.813 124.059 121.223 0.038 0.000 2.141 230 L HA -0.125 4.216 4.340 0.002 0.000 0.209 230 L C 1.587 178.464 176.870 0.012 0.000 1.094 230 L CA 0.671 55.521 54.840 0.016 0.000 0.763 230 L CB -0.173 41.888 42.059 0.003 0.000 0.908 230 L HN 0.342 nan 8.230 nan 0.000 0.437 231 D N -0.041 120.374 120.400 0.025 0.000 2.084 231 D HA -0.227 4.414 4.640 0.002 0.000 0.196 231 D C 2.074 178.399 176.300 0.041 0.000 0.985 231 D CA 1.075 55.090 54.000 0.026 0.000 0.826 231 D CB -0.223 40.592 40.800 0.026 0.000 0.978 231 D HN 0.343 nan 8.370 nan 0.000 0.456 232 Q N 0.437 120.280 119.800 0.071 0.000 2.062 232 Q HA -0.183 4.158 4.340 0.002 0.000 0.209 232 Q C 1.919 177.994 176.000 0.125 0.000 0.996 232 Q CA 2.269 58.147 55.803 0.125 0.000 0.859 232 Q CB -0.087 28.757 28.738 0.175 0.000 0.920 232 Q HN 0.171 nan 8.270 nan 0.000 0.415 233 T N 0.238 114.821 114.554 0.048 0.000 2.652 233 T HA -0.151 4.200 4.350 0.002 0.000 0.267 233 T C 1.865 176.431 174.700 -0.224 0.000 1.039 233 T CA 1.595 63.536 62.100 -0.266 0.000 1.153 233 T CB -0.378 68.349 68.868 -0.236 0.000 0.863 233 T HN 0.138 nan 8.240 nan 0.000 0.428 234 V N 2.312 122.176 119.914 -0.083 0.000 2.343 234 V HA -0.180 3.942 4.120 0.002 0.000 0.247 234 V C 2.584 178.684 176.094 0.009 0.000 1.051 234 V CA 1.400 63.679 62.300 -0.034 0.000 1.036 234 V CB -0.614 31.209 31.823 0.000 0.000 0.654 234 V HN 0.481 nan 8.190 nan 0.000 0.451 235 N N -0.039 118.679 118.700 0.030 0.000 2.061 235 N HA -0.205 4.536 4.740 0.002 0.000 0.193 235 N C 1.917 177.495 175.510 0.114 0.000 1.030 235 N CA 1.541 54.633 53.050 0.069 0.000 0.856 235 N CB -0.178 38.349 38.487 0.066 0.000 1.023 235 N HN 0.475 nan 8.380 nan 0.000 0.424 236 Q N 0.508 120.365 119.800 0.094 0.000 2.172 236 Q HA 0.043 4.384 4.340 0.002 0.000 0.200 236 Q C 2.416 178.444 176.000 0.045 0.000 0.964 236 Q CA 0.386 56.281 55.803 0.154 0.000 0.855 236 Q CB -0.293 28.590 28.738 0.241 0.000 0.918 236 Q HN 0.416 nan 8.270 nan 0.000 0.444 237 L N -0.088 121.092 121.223 -0.072 0.000 2.017 237 L HA -0.180 4.161 4.340 0.002 0.000 0.208 237 L C 2.458 179.338 176.870 0.015 0.000 1.073 237 L CA 0.925 55.710 54.840 -0.093 0.000 0.745 237 L CB -0.423 41.574 42.059 -0.103 0.000 0.894 237 L HN 0.206 nan 8.230 nan 0.000 0.432 238 M N -1.208 118.485 119.600 0.155 0.000 2.082 238 M HA -0.271 4.210 4.480 0.002 0.000 0.258 238 M C 2.389 178.872 176.300 0.306 0.000 1.069 238 M CA 1.958 57.442 55.300 0.307 0.000 1.102 238 M CB -1.124 31.606 32.600 0.216 0.000 1.336 238 M HN 0.235 nan 8.290 nan 0.000 0.404 239 F N 0.788 120.785 119.950 0.078 0.000 2.039 239 F HA 0.008 4.536 4.527 0.002 0.000 0.294 239 F C 2.317 178.141 175.800 0.040 0.000 1.130 239 F CA 1.837 59.875 58.000 0.065 0.000 1.189 239 F CB -1.214 37.815 39.000 0.047 0.000 0.983 239 F HN 0.135 nan 8.300 nan 0.000 0.471 240 G N -0.098 108.510 108.800 -0.319 0.000 2.404 240 G HA2 -0.281 3.680 3.960 0.002 0.000 0.215 240 G HA3 -0.281 3.680 3.960 0.002 0.000 0.215 240 G C 1.655 176.354 174.900 -0.336 0.000 1.174 240 G CA 1.023 45.840 45.100 -0.472 0.000 0.780 240 G HN 0.304 nan 8.290 nan 0.000 0.537 241 K N 0.266 120.456 120.400 -0.351 0.000 2.062 241 K HA 0.101 4.422 4.320 0.002 0.000 0.205 241 K C 1.859 178.131 176.600 -0.546 0.000 1.051 241 K CA 0.911 56.867 56.287 -0.551 0.000 0.941 241 K CB -0.513 31.423 32.500 -0.940 0.000 0.719 241 K HN 0.318 nan 8.250 nan 0.000 0.440 242 F N 0.099 120.021 119.950 -0.047 0.000 2.714 242 F HA 0.313 4.841 4.527 0.002 0.000 0.294 242 F C 0.975 176.763 175.800 -0.022 0.000 1.120 242 F CA -0.670 57.316 58.000 -0.023 0.000 1.398 242 F CB -0.240 38.761 39.000 0.002 0.000 1.120 242 F HN -0.117 nan 8.300 nan 0.000 0.589 243 I N 1.640 122.260 120.570 0.083 0.000 2.775 243 I HA -0.154 4.017 4.170 0.002 0.000 0.290 243 I C 0.953 177.085 176.117 0.025 0.000 1.203 243 I CA 0.378 61.716 61.300 0.063 0.000 1.433 243 I CB 0.178 38.185 38.000 0.011 0.000 1.354 243 I HN 0.317 nan 8.210 nan 0.000 0.579 244 N N 4.653 123.366 118.700 0.022 0.000 2.721 244 N HA -0.257 4.484 4.740 0.002 0.000 0.249 244 N C 0.259 175.759 175.510 -0.017 0.000 1.072 244 N CA 1.312 54.341 53.050 -0.034 0.000 0.710 244 N CB -1.012 37.393 38.487 -0.137 0.000 0.993 244 N HN 0.783 nan 8.380 nan 0.000 0.547 245 S N -2.765 112.958 115.700 0.038 0.000 3.521 245 S HA -0.152 4.319 4.470 0.002 0.000 0.328 245 S C 1.340 175.944 174.600 0.006 0.000 1.165 245 S CA 1.595 59.832 58.200 0.062 0.000 0.941 245 S CB -1.858 61.379 63.200 0.061 0.000 0.951 245 S HN 1.842 nan 8.310 nan 0.000 0.539 246 G N 0.143 108.906 108.800 -0.062 0.000 2.162 246 G HA2 -0.341 3.620 3.960 0.002 0.000 0.260 246 G HA3 -0.341 3.620 3.960 0.002 0.000 0.260 246 G C -0.085 174.591 174.900 -0.372 0.000 0.976 246 G CA 0.540 45.538 45.100 -0.171 0.000 0.655 246 G HN 0.703 nan 8.290 nan 0.000 0.533 247 Q N 1.218 120.758 119.800 -0.434 0.000 3.247 247 Q HA 0.397 4.739 4.340 0.002 0.000 0.326 247 Q C 0.343 175.846 176.000 -0.829 0.000 1.402 247 Q CA 0.395 55.594 55.803 -1.007 0.000 0.994 247 Q CB 0.206 28.766 28.738 -0.298 0.000 1.647 247 Q HN 0.423 nan 8.270 nan 0.000 0.523 251 A N 2.537 125.410 122.820 0.088 0.000 2.483 251 A HA 0.585 4.906 4.320 0.002 0.000 0.238 251 A C -2.386 175.274 177.584 0.127 0.000 1.070 251 A CA -0.686 51.368 52.037 0.029 0.000 0.770 251 A CB -0.585 18.366 19.000 -0.082 0.000 1.008 251 A HN 0.210 nan 8.150 nan 0.000 0.497 252 P HA 0.037 nan 4.420 nan 0.000 0.265 252 P C 0.191 177.477 177.300 -0.023 0.000 1.222 252 P CA 0.118 63.266 63.100 0.079 0.000 0.767 252 P CB 0.627 32.323 31.700 -0.006 0.000 0.801 253 D N 2.998 123.398 120.400 -0.001 0.000 2.194 253 D HA -0.093 4.548 4.640 0.002 0.000 0.204 253 D C -0.083 176.293 176.300 0.127 0.000 0.964 253 D CA 1.073 55.115 54.000 0.071 0.000 0.846 253 D CB 0.364 41.264 40.800 0.166 0.000 0.962 253 D HN 0.437 nan 8.370 nan 0.000 0.490 254 Y N -1.306 118.986 120.300 -0.013 0.000 2.609 254 Y HA 0.516 5.067 4.550 0.002 0.000 0.336 254 Y C -1.630 174.279 175.900 0.015 0.000 1.129 254 Y CA -1.624 56.455 58.100 -0.035 0.000 1.040 254 Y CB 0.772 39.180 38.460 -0.087 0.000 1.310 254 Y HN -0.218 nan 8.280 nan 0.000 0.460 255 L N 3.348 124.636 121.223 0.109 0.000 2.295 255 L HA 0.519 4.860 4.340 0.002 0.000 0.285 255 L C -1.786 175.243 176.870 0.265 0.000 1.035 255 L CA -0.749 54.147 54.840 0.093 0.000 0.806 255 L CB 0.901 42.992 42.059 0.053 0.000 1.214 255 L HN 0.722 nan 8.230 nan 0.000 0.426 256 Y N 5.847 126.231 120.300 0.141 0.000 2.526 256 Y HA 0.548 5.100 4.550 0.003 0.000 0.328 256 Y C -1.191 174.928 175.900 0.364 0.000 0.995 256 Y CA -1.087 57.184 58.100 0.284 0.000 1.304 256 Y CB 1.388 40.075 38.460 0.377 0.000 1.096 256 Y HN 0.445 nan 8.280 nan 0.000 0.499 257 V N 5.899 125.997 119.914 0.307 0.000 2.715 257 V HA 0.420 4.541 4.120 0.002 0.000 0.310 257 V C -0.357 175.437 176.094 -0.501 0.000 1.054 257 V CA -0.651 61.659 62.300 0.017 0.000 0.928 257 V CB 1.491 33.322 31.823 0.013 0.000 1.007 257 V HN 0.778 nan 8.190 nan 0.000 0.437 258 H N 4.809 123.311 119.070 -0.946 0.000 3.001 258 H HA 0.002 4.559 4.556 0.002 0.000 0.334 258 H C 0.698 175.709 175.328 -0.528 0.000 1.034 258 H CA 1.382 56.755 56.048 -1.123 0.000 1.420 258 H CB 0.860 30.187 29.762 -0.726 0.000 1.405 258 H HN 0.917 nan 8.280 nan 0.000 0.593 259 Y N 2.651 122.479 120.300 -0.787 0.000 2.274 259 Y HA -0.207 4.344 4.550 0.002 0.000 0.290 259 Y C 2.275 178.057 175.900 -0.196 0.000 1.145 259 Y CA 0.988 58.852 58.100 -0.393 0.000 1.203 259 Y CB -0.550 37.694 38.460 -0.361 0.000 0.984 259 Y HN 0.436 nan 8.280 nan 0.000 0.533 260 S N -0.887 114.242 115.700 -0.952 0.000 2.603 260 S HA 0.027 4.498 4.470 0.002 0.000 0.229 260 S C 1.176 175.667 174.600 -0.182 0.000 0.972 260 S CA 0.708 58.586 58.200 -0.537 0.000 0.935 260 S CB -0.214 62.693 63.200 -0.488 0.000 0.769 260 S HN 0.318 nan 8.310 nan 0.000 0.536 261 V N 0.053 119.889 119.914 -0.131 0.000 3.392 261 V HA 0.310 4.432 4.120 0.002 0.000 0.294 261 V C 1.781 177.843 176.094 -0.054 0.000 1.561 261 V CA -0.085 62.171 62.300 -0.073 0.000 1.056 261 V CB 0.464 32.250 31.823 -0.062 0.000 0.882 261 V HN 0.397 nan 8.190 nan 0.000 0.440 262 K N 0.596 120.961 120.400 -0.060 0.000 2.026 262 K HA -0.206 4.116 4.320 0.002 0.000 0.208 262 K C 1.564 178.155 176.600 -0.015 0.000 1.048 262 K CA 2.190 58.457 56.287 -0.032 0.000 0.929 262 K CB 0.067 32.553 32.500 -0.025 0.000 0.713 262 K HN 0.388 nan 8.250 nan 0.000 0.439 263 D N 0.278 120.671 120.400 -0.011 0.000 2.097 263 D HA -0.131 4.510 4.640 0.002 0.000 0.195 263 D C 1.748 178.044 176.300 -0.006 0.000 0.989 263 D CA 1.484 55.482 54.000 -0.004 0.000 0.827 263 D CB -0.228 40.572 40.800 0.001 0.000 0.966 263 D HN 0.352 nan 8.370 nan 0.000 0.456 264 A N 0.315 123.128 122.820 -0.011 0.000 1.902 264 A HA -0.147 4.174 4.320 0.002 0.000 0.217 264 A C 2.117 179.696 177.584 -0.008 0.000 1.181 264 A CA 1.148 53.179 52.037 -0.010 0.000 0.623 264 A CB -0.769 18.223 19.000 -0.014 0.000 0.818 264 A HN 0.266 nan 8.150 nan 0.000 0.443 265 L N -0.249 120.967 121.223 -0.012 0.000 2.027 265 L HA -0.060 4.281 4.340 0.002 0.000 0.206 265 L C 2.288 179.156 176.870 -0.003 0.000 1.074 265 L CA 1.662 56.495 54.840 -0.012 0.000 0.745 265 L CB -0.508 41.540 42.059 -0.018 0.000 0.898 265 L HN 0.399 nan 8.230 nan 0.000 0.433 266 L N -0.825 120.398 121.223 0.000 0.000 2.131 266 L HA -0.191 4.150 4.340 0.002 0.000 0.210 266 L C 2.501 179.375 176.870 0.008 0.000 1.092 266 L CA 1.049 55.894 54.840 0.008 0.000 0.759 266 L CB -0.488 41.577 42.059 0.009 0.000 0.903 266 L HN 0.322 nan 8.230 nan 0.000 0.435 267 E N 0.517 120.719 120.200 0.003 0.000 2.038 267 E HA -0.216 4.135 4.350 0.002 0.000 0.195 267 E C 2.326 178.928 176.600 0.003 0.000 1.000 267 E CA 1.444 57.846 56.400 0.003 0.000 0.803 267 E CB 0.021 29.721 29.700 0.000 0.000 0.750 267 E HN 0.205 nan 8.360 nan 0.000 0.448 268 R N -0.473 120.029 120.500 0.003 0.000 2.096 268 R HA -0.125 4.216 4.340 0.002 0.000 0.235 268 R C 2.344 178.650 176.300 0.010 0.000 1.127 268 R CA 1.093 57.196 56.100 0.005 0.000 0.968 268 R CB -0.362 29.940 30.300 0.003 0.000 0.861 268 R HN 0.189 nan 8.270 nan 0.000 0.440 269 L N 0.548 121.780 121.223 0.015 0.000 1.988 269 L HA -0.133 4.209 4.340 0.002 0.000 0.207 269 L C 2.287 179.175 176.870 0.030 0.000 1.071 269 L CA 1.662 56.522 54.840 0.033 0.000 0.744 269 L CB -0.693 41.392 42.059 0.043 0.000 0.893 269 L HN 0.053 nan 8.230 nan 0.000 0.433 270 V N -1.146 118.781 119.914 0.022 0.000 2.490 270 V HA -0.267 3.854 4.120 0.002 0.000 0.250 270 V C 2.331 178.420 176.094 -0.008 0.000 1.061 270 V CA 2.148 64.453 62.300 0.009 0.000 1.064 270 V CB -0.786 31.043 31.823 0.009 0.000 0.670 270 V HN 0.754 nan 8.190 nan 0.000 0.461 271 E N 0.490 120.688 120.200 -0.004 0.000 2.058 271 E HA -0.324 4.027 4.350 0.002 0.000 0.194 271 E C 2.406 178.996 176.600 -0.015 0.000 0.997 271 E CA 1.748 58.142 56.400 -0.010 0.000 0.801 271 E CB -0.263 29.434 29.700 -0.005 0.000 0.746 271 E HN 0.623 nan 8.360 nan 0.000 0.450 272 R N -0.100 120.395 120.500 -0.008 0.000 2.092 272 R HA -0.086 4.255 4.340 0.002 0.000 0.231 272 R C 2.258 178.533 176.300 -0.041 0.000 1.119 272 R CA 1.180 57.274 56.100 -0.011 0.000 0.970 272 R CB -0.189 30.117 30.300 0.011 0.000 0.864 272 R HN 0.106 nan 8.270 nan 0.000 0.440 273 V N 0.943 120.821 119.914 -0.061 0.000 2.295 273 V HA -0.274 3.847 4.120 0.002 0.000 0.246 273 V C 2.106 178.125 176.094 -0.126 0.000 1.049 273 V CA 1.979 64.189 62.300 -0.150 0.000 1.024 273 V CB -0.431 31.286 31.823 -0.175 0.000 0.648 273 V HN 0.349 nan 8.190 nan 0.000 0.447 274 K N 0.240 120.593 120.400 -0.078 0.000 2.044 274 K HA -0.227 4.095 4.320 0.002 0.000 0.210 274 K C 2.283 178.851 176.600 -0.053 0.000 1.049 274 K CA 2.189 58.440 56.287 -0.060 0.000 0.927 274 K CB -0.481 31.996 32.500 -0.038 0.000 0.713 274 K HN 0.736 nan 8.250 nan 0.000 0.443 275 T N -1.837 112.690 114.554 -0.045 0.000 2.978 275 T HA -0.002 4.349 4.350 0.002 0.000 0.262 275 T C 1.584 176.260 174.700 -0.039 0.000 1.063 275 T CA 0.719 62.798 62.100 -0.035 0.000 1.140 275 T CB 0.097 68.951 68.868 -0.024 0.000 0.886 275 T HN 0.200 nan 8.240 nan 0.000 0.470 276 E N 0.349 120.519 120.200 -0.050 0.000 2.460 276 E HA 0.302 4.653 4.350 0.002 0.000 0.200 276 E C 0.175 176.733 176.600 -0.070 0.000 1.011 276 E CA 0.122 56.494 56.400 -0.047 0.000 0.912 276 E CB 0.436 30.117 29.700 -0.031 0.000 0.953 276 E HN 0.464 nan 8.360 nan 0.000 0.494 277 L N 1.256 122.415 121.223 -0.106 0.000 2.625 277 L HA 0.244 4.585 4.340 0.002 0.000 0.255 277 L C -2.118 174.685 176.870 -0.112 0.000 1.493 277 L CA -1.046 53.714 54.840 -0.133 0.000 0.796 277 L CB 1.066 42.974 42.059 -0.253 0.000 1.064 277 L HN -0.065 nan 8.230 nan 0.000 0.516 278 P HA -0.020 nan 4.420 nan 0.000 0.216 278 P C 0.364 177.636 177.300 -0.047 0.000 1.156 278 P CA 0.687 63.753 63.100 -0.056 0.000 0.855 278 P CB 0.426 32.102 31.700 -0.040 0.000 0.786 279 E N -0.499 119.678 120.200 -0.040 0.000 2.404 279 E HA 0.052 4.403 4.350 0.002 0.000 0.261 279 E C 0.979 177.561 176.600 -0.030 0.000 1.074 279 E CA -0.215 56.168 56.400 -0.029 0.000 0.917 279 E CB 0.619 30.307 29.700 -0.021 0.000 0.965 279 E HN 0.040 nan 8.360 nan 0.000 0.433 280 I N 2.356 122.914 120.570 -0.019 0.000 2.676 280 I HA -0.193 3.978 4.170 0.002 0.000 0.259 280 I C 0.954 177.067 176.117 -0.008 0.000 1.194 280 I CA 0.896 62.188 61.300 -0.014 0.000 1.473 280 I CB 0.133 38.129 38.000 -0.007 0.000 1.096 280 I HN 0.438 nan 8.210 nan 0.000 0.443 281 N N -0.978 117.718 118.700 -0.006 0.000 2.338 281 N HA 0.079 4.820 4.740 0.002 0.000 0.251 281 N C 0.856 176.365 175.510 -0.001 0.000 1.199 281 N CA -0.109 52.942 53.050 0.002 0.000 0.879 281 N CB 0.183 38.673 38.487 0.005 0.000 1.159 281 N HN -0.065 nan 8.380 nan 0.000 0.514 282 S N 0.098 115.789 115.700 -0.015 0.000 2.382 282 S HA -0.149 4.322 4.470 0.002 0.000 0.228 282 S C 1.734 176.332 174.600 -0.004 0.000 1.027 282 S CA 1.982 60.170 58.200 -0.020 0.000 0.991 282 S CB -0.396 62.775 63.200 -0.049 0.000 0.823 282 S HN 0.780 nan 8.310 nan 0.000 0.469 283 T N -1.187 113.371 114.554 0.007 0.000 3.118 283 T HA 0.452 4.803 4.350 0.002 0.000 0.260 283 T C 1.017 175.745 174.700 0.047 0.000 1.139 283 T CA 0.855 62.983 62.100 0.047 0.000 1.085 283 T CB -0.191 68.734 68.868 0.094 0.000 0.934 283 T HN 0.613 nan 8.240 nan 0.000 0.518 284 G N 0.867 109.686 108.800 0.032 0.000 2.378 284 G HA2 -0.005 3.957 3.960 0.002 0.000 0.198 284 G HA3 -0.005 3.957 3.960 0.002 0.000 0.198 284 G C -1.525 173.394 174.900 0.032 0.000 1.223 284 G CA -0.774 44.344 45.100 0.030 0.000 1.088 284 G HN 0.546 nan 8.290 nan 0.000 0.530 285 K N 0.026 120.448 120.400 0.036 0.000 2.292 285 K HA 0.625 4.946 4.320 0.002 0.000 0.257 285 K C 0.044 176.675 176.600 0.052 0.000 0.940 285 K CA -0.688 55.622 56.287 0.038 0.000 0.811 285 K CB 2.179 34.698 32.500 0.032 0.000 1.120 285 K HN 0.435 nan 8.250 nan 0.000 0.428 286 L N 2.494 123.745 121.223 0.046 0.000 2.485 286 L HA -0.033 4.308 4.340 0.002 0.000 0.275 286 L C 1.755 178.626 176.870 0.002 0.000 1.207 286 L CA 0.082 54.950 54.840 0.047 0.000 0.855 286 L CB 0.761 42.845 42.059 0.041 0.000 1.114 286 L HN 0.554 nan 8.230 nan 0.000 0.485 287 V N 1.761 121.636 119.914 -0.066 0.000 2.490 287 V HA -0.106 4.015 4.120 0.002 0.000 0.250 287 V C 1.017 177.019 176.094 -0.154 0.000 1.061 287 V CA 2.035 64.224 62.300 -0.185 0.000 1.064 287 V CB -0.069 31.322 31.823 -0.721 0.000 0.670 287 V HN 1.006 nan 8.190 nan 0.000 0.461 288 T N -4.587 109.887 114.554 -0.134 0.000 2.883 288 T HA 0.383 4.734 4.350 0.002 0.000 0.301 288 T C 0.485 175.161 174.700 -0.040 0.000 1.158 288 T CA -0.277 61.776 62.100 -0.079 0.000 1.007 288 T CB 1.700 70.514 68.868 -0.090 0.000 1.186 288 T HN 0.254 nan 8.240 nan 0.000 0.499 289 E N 0.350 120.537 120.200 -0.022 0.000 2.118 289 E HA -0.180 4.171 4.350 0.002 0.000 0.195 289 E C 2.169 178.766 176.600 -0.006 0.000 0.992 289 E CA 1.171 57.566 56.400 -0.008 0.000 0.804 289 E CB -0.077 29.620 29.700 -0.004 0.000 0.741 289 E HN 0.535 nan 8.360 nan 0.000 0.458 290 R N 0.496 120.989 120.500 -0.012 0.000 2.091 290 R HA -0.153 4.188 4.340 0.002 0.000 0.238 290 R C 2.420 178.721 176.300 0.000 0.000 1.136 290 R CA 1.072 57.169 56.100 -0.006 0.000 0.959 290 R CB -0.145 30.149 30.300 -0.009 0.000 0.856 290 R HN 0.150 nan 8.270 nan 0.000 0.437 291 Q N 0.298 120.093 119.800 -0.009 0.000 2.096 291 Q HA -0.127 4.214 4.340 0.002 0.000 0.204 291 Q C 2.314 178.333 176.000 0.032 0.000 0.982 291 Q CA 1.364 57.174 55.803 0.013 0.000 0.850 291 Q CB -0.442 28.295 28.738 -0.002 0.000 0.901 291 Q HN 0.223 nan 8.270 nan 0.000 0.422 292 V N 1.319 121.246 119.914 0.022 0.000 2.261 292 V HA -0.298 3.823 4.120 0.002 0.000 0.246 292 V C 2.392 178.502 176.094 0.027 0.000 1.047 292 V CA 2.010 64.327 62.300 0.028 0.000 1.015 292 V CB -0.741 31.095 31.823 0.021 0.000 0.642 292 V HN 0.401 nan 8.190 nan 0.000 0.446 293 Q N -0.129 119.683 119.800 0.019 0.000 2.077 293 Q HA -0.298 4.043 4.340 0.002 0.000 0.206 293 Q C 2.465 178.479 176.000 0.023 0.000 0.989 293 Q CA 2.251 58.065 55.803 0.018 0.000 0.853 293 Q CB -0.424 28.321 28.738 0.013 0.000 0.907 293 Q HN 0.587 nan 8.270 nan 0.000 0.418 294 R N 0.869 121.384 120.500 0.026 0.000 2.081 294 R HA -0.148 4.193 4.340 0.002 0.000 0.235 294 R C 2.132 178.456 176.300 0.040 0.000 1.131 294 R CA 1.170 57.290 56.100 0.032 0.000 0.960 294 R CB -0.214 30.108 30.300 0.037 0.000 0.856 294 R HN 0.256 nan 8.270 nan 0.000 0.436 295 L N 0.368 121.620 121.223 0.047 0.000 2.056 295 L HA -0.147 4.194 4.340 0.002 0.000 0.207 295 L C 2.510 179.405 176.870 0.041 0.000 1.078 295 L CA 0.861 55.733 54.840 0.053 0.000 0.749 295 L CB -0.304 41.794 42.059 0.064 0.000 0.901 295 L HN 0.075 nan 8.230 nan 0.000 0.433 296 V N -0.787 119.147 119.914 0.034 0.000 2.255 296 V HA -0.306 3.815 4.120 0.002 0.000 0.247 296 V C 2.581 178.689 176.094 0.023 0.000 1.051 296 V CA 2.119 64.435 62.300 0.027 0.000 1.018 296 V CB -0.506 31.330 31.823 0.022 0.000 0.641 296 V HN 0.397 nan 8.190 nan 0.000 0.445 297 S N 0.028 115.742 115.700 0.022 0.000 2.380 297 S HA -0.228 4.244 4.470 0.002 0.000 0.229 297 S C 1.897 176.509 174.600 0.020 0.000 1.043 297 S CA 1.791 60.002 58.200 0.019 0.000 1.038 297 S CB -0.486 62.726 63.200 0.019 0.000 0.872 297 S HN 0.459 nan 8.310 nan 0.000 0.456 298 L N 0.673 121.911 121.223 0.025 0.000 2.083 298 L HA -0.107 4.234 4.340 0.002 0.000 0.209 298 L C 2.210 179.092 176.870 0.020 0.000 1.083 298 L CA 1.053 55.907 54.840 0.024 0.000 0.752 298 L CB -0.448 41.631 42.059 0.032 0.000 0.899 298 L HN 0.297 nan 8.230 nan 0.000 0.433 299 L N -0.848 120.388 121.223 0.022 0.000 2.109 299 L HA -0.164 4.177 4.340 0.002 0.000 0.207 299 L C 2.447 179.325 176.870 0.013 0.000 1.086 299 L CA 1.030 55.882 54.840 0.019 0.000 0.760 299 L CB -0.419 41.654 42.059 0.023 0.000 0.910 299 L HN 0.264 nan 8.230 nan 0.000 0.437 300 E N 0.228 120.436 120.200 0.013 0.000 2.153 300 E HA -0.189 4.162 4.350 0.002 0.000 0.194 300 E C 2.095 178.700 176.600 0.008 0.000 0.988 300 E CA 1.125 57.531 56.400 0.010 0.000 0.811 300 E CB -0.099 29.608 29.700 0.010 0.000 0.746 300 E HN 0.507 nan 8.360 nan 0.000 0.466 301 A N 1.031 123.857 122.820 0.009 0.000 2.147 301 A HA 0.011 4.332 4.320 0.002 0.000 0.211 301 A C 1.434 179.020 177.584 0.003 0.000 1.160 301 A CA 0.204 52.245 52.037 0.007 0.000 0.781 301 A CB 0.076 19.081 19.000 0.009 0.000 0.842 301 A HN 0.163 nan 8.150 nan 0.000 0.475 302 T N -0.514 114.041 114.554 0.002 0.000 2.900 302 T HA 0.137 4.488 4.350 0.002 0.000 0.307 302 T C 0.840 175.536 174.700 -0.007 0.000 1.065 302 T CA 0.047 62.144 62.100 -0.004 0.000 1.105 302 T CB 0.480 69.345 68.868 -0.005 0.000 0.979 302 T HN 0.337 nan 8.240 nan 0.000 0.544 303 Q N 2.323 122.115 119.800 -0.013 0.000 2.384 303 Q HA 0.231 4.572 4.340 0.002 0.000 0.207 303 Q C 1.179 177.169 176.000 -0.017 0.000 0.904 303 Q CA 0.096 55.891 55.803 -0.013 0.000 0.933 303 Q CB 0.077 28.805 28.738 -0.015 0.000 1.077 303 Q HN 0.820 nan 8.270 nan 0.000 0.522 304 G N 0.906 109.693 108.800 -0.022 0.000 2.616 304 G HA2 0.259 4.221 3.960 0.002 0.000 0.268 304 G HA3 0.259 4.221 3.960 0.002 0.000 0.268 304 G C -0.596 174.297 174.900 -0.011 0.000 1.213 304 G CA -0.323 44.764 45.100 -0.022 0.000 0.926 304 G HN 0.036 nan 8.290 nan 0.000 0.523 305 Q N -0.707 119.088 119.800 -0.008 0.000 2.290 305 Q HA 0.419 4.760 4.340 0.002 0.000 0.259 305 Q C -0.063 175.939 176.000 0.003 0.000 0.941 305 Q CA -0.475 55.327 55.803 -0.002 0.000 0.912 305 Q CB 2.018 30.754 28.738 -0.002 0.000 1.244 305 Q HN 0.271 nan 8.270 nan 0.000 0.441 306 V N 4.843 124.761 119.914 0.006 0.000 2.529 306 V HA -0.040 4.081 4.120 0.002 0.000 0.292 306 V C 0.963 177.063 176.094 0.010 0.000 1.028 306 V CA 0.605 62.912 62.300 0.011 0.000 1.074 306 V CB 0.216 32.045 31.823 0.011 0.000 0.958 306 V HN 0.825 nan 8.190 nan 0.000 0.481 307 L N 5.233 126.465 121.223 0.015 0.000 2.515 307 L HA 0.397 4.739 4.340 0.002 0.000 0.223 307 L C 0.320 177.194 176.870 0.007 0.000 1.079 307 L CA 0.584 55.431 54.840 0.011 0.000 0.857 307 L CB 0.843 42.912 42.059 0.016 0.000 1.050 307 L HN 0.539 nan 8.230 nan 0.000 0.476 308 V N -1.162 118.756 119.914 0.008 0.000 3.174 308 V HA 0.604 4.725 4.120 0.002 0.000 0.280 308 V C -0.070 176.022 176.094 -0.004 0.000 1.554 308 V CA -0.013 62.284 62.300 -0.005 0.000 1.016 308 V CB 1.287 33.100 31.823 -0.017 0.000 1.197 308 V HN 0.408 nan 8.190 nan 0.000 0.453 309 G N 3.465 112.255 108.800 -0.018 0.000 2.528 309 G HA2 0.103 4.065 3.960 0.002 0.000 0.262 309 G HA3 0.103 4.065 3.960 0.002 0.000 0.262 309 G C 0.816 175.716 174.900 0.000 0.000 1.200 309 G CA 1.308 46.398 45.100 -0.017 0.000 0.951 309 G HN 2.612 nan 8.290 nan 0.000 0.566 310 S N -1.629 114.077 115.700 0.011 0.000 3.244 310 S HA -0.192 4.279 4.470 0.002 0.000 0.279 310 S C 0.375 174.983 174.600 0.012 0.000 1.293 310 S CA 2.523 60.734 58.200 0.018 0.000 0.990 310 S CB -1.889 61.321 63.200 0.016 0.000 1.202 310 S HN 1.946 nan 8.310 nan 0.000 0.666 311 Q N 0.657 120.461 119.800 0.007 0.000 2.293 311 Q HA 0.816 5.157 4.340 0.002 0.000 0.261 311 Q C -0.404 175.601 176.000 0.008 0.000 0.960 311 Q CA -0.208 55.598 55.803 0.005 0.000 0.882 311 Q CB 2.039 30.776 28.738 -0.001 0.000 1.275 311 Q HN 0.649 nan 8.270 nan 0.000 0.445 312 A N 2.038 124.864 122.820 0.010 0.000 2.413 312 A HA 0.575 4.896 4.320 0.002 0.000 0.307 312 A C -1.417 176.173 177.584 0.010 0.000 1.087 312 A CA -0.643 51.401 52.037 0.013 0.000 0.750 312 A CB 1.991 21.001 19.000 0.018 0.000 1.296 312 A HN 0.788 nan 8.150 nan 0.000 0.423 313 D N 1.856 122.263 120.400 0.011 0.000 2.405 313 D HA 0.337 4.978 4.640 0.002 0.000 0.264 313 D C 0.893 177.199 176.300 0.009 0.000 1.240 313 D CA -0.293 53.712 54.000 0.008 0.000 0.893 313 D CB 0.865 41.669 40.800 0.006 0.000 1.198 313 D HN 0.088 nan 8.370 nan 0.000 0.514 314 V N 2.153 122.072 119.914 0.009 0.000 2.250 314 V HA -0.330 3.791 4.120 0.002 0.000 0.253 314 V C 2.575 178.673 176.094 0.006 0.000 1.065 314 V CA 2.653 64.958 62.300 0.008 0.000 1.039 314 V CB -0.847 30.980 31.823 0.007 0.000 0.647 314 V HN 0.699 nan 8.190 nan 0.000 0.446 315 S N -0.353 115.350 115.700 0.006 0.000 2.370 315 S HA -0.296 4.175 4.470 0.002 0.000 0.226 315 S C 1.965 176.569 174.600 0.006 0.000 1.033 315 S CA 1.935 60.138 58.200 0.005 0.000 1.011 315 S CB -0.457 62.746 63.200 0.005 0.000 0.852 315 S HN 0.624 nan 8.310 nan 0.000 0.457 316 K N 0.754 121.158 120.400 0.007 0.000 2.487 316 K HA 0.166 4.488 4.320 0.002 0.000 0.192 316 K C 0.049 176.655 176.600 0.010 0.000 1.027 316 K CA -0.030 56.262 56.287 0.008 0.000 1.054 316 K CB -0.015 32.489 32.500 0.007 0.000 0.824 316 K HN 0.348 nan 8.250 nan 0.000 0.510 317 R N -0.916 119.590 120.500 0.009 0.000 3.418 317 R HA -0.178 4.163 4.340 0.002 0.000 0.274 317 R C -1.071 175.239 176.300 0.017 0.000 1.108 317 R CA 0.483 56.590 56.100 0.011 0.000 0.741 317 R CB -1.731 28.574 30.300 0.008 0.000 1.223 317 R HN 0.268 nan 8.270 nan 0.000 0.434 318 A N 0.353 123.183 122.820 0.018 0.000 2.401 318 A HA 0.843 5.164 4.320 0.002 0.000 0.310 318 A C -1.156 176.442 177.584 0.024 0.000 1.075 318 A CA -0.639 51.411 52.037 0.021 0.000 0.746 318 A CB 1.712 20.721 19.000 0.014 0.000 1.277 318 A HN 0.144 nan 8.150 nan 0.000 0.425 319 L N 1.526 122.767 121.223 0.031 0.000 2.445 319 L HA 0.729 5.070 4.340 0.002 0.000 0.262 319 L C 0.047 176.936 176.870 0.031 0.000 0.974 319 L CA -0.012 54.849 54.840 0.034 0.000 0.822 319 L CB 2.259 44.347 42.059 0.048 0.000 1.339 319 L HN 0.891 nan 8.230 nan 0.000 0.409 320 S N 3.331 119.042 115.700 0.017 0.000 2.586 320 S HA 0.816 5.287 4.470 0.002 0.000 0.274 320 S C 0.310 174.907 174.600 -0.006 0.000 1.281 320 S CA -0.277 57.918 58.200 -0.009 0.000 1.035 320 S CB 1.223 64.409 63.200 -0.024 0.000 0.962 320 S HN 1.302 nan 8.310 nan 0.000 0.512 321 A N 3.000 125.768 122.820 -0.087 0.000 2.583 321 A HA 0.416 4.737 4.320 0.002 0.000 0.249 321 A C 0.500 178.055 177.584 -0.048 0.000 1.035 321 A CA 0.154 52.082 52.037 -0.181 0.000 0.777 321 A CB -0.897 17.628 19.000 -0.792 0.000 0.942 321 A HN 0.848 nan 8.150 nan 0.000 0.516 322 T N 2.308 116.955 114.554 0.154 0.000 2.861 322 T HA 0.547 4.898 4.350 0.002 0.000 0.287 322 T C -0.633 174.178 174.700 0.184 0.000 1.003 322 T CA -0.443 61.730 62.100 0.122 0.000 0.977 322 T CB 1.623 70.549 68.868 0.097 0.000 0.996 322 T HN 0.491 nan 8.240 nan 0.000 0.448 323 V N 3.168 123.153 119.914 0.118 0.000 2.487 323 V HA 0.568 4.689 4.120 0.002 0.000 0.298 323 V C -0.575 175.555 176.094 0.060 0.000 1.028 323 V CA -0.722 61.645 62.300 0.111 0.000 0.860 323 V CB 1.922 33.810 31.823 0.109 0.000 0.991 323 V HN 0.738 nan 8.190 nan 0.000 0.427 324 V N 3.677 123.618 119.914 0.046 0.000 2.409 324 V HA 0.483 4.605 4.120 0.002 0.000 0.291 324 V C -0.407 175.691 176.094 0.006 0.000 1.020 324 V CA -0.460 61.852 62.300 0.021 0.000 0.848 324 V CB 1.789 33.620 31.823 0.014 0.000 0.990 324 V HN 0.910 nan 8.190 nan 0.000 0.430 325 D N 3.081 123.481 120.400 0.001 0.000 2.440 325 D HA 0.582 5.223 4.640 0.002 0.000 0.258 325 D C 1.036 177.322 176.300 -0.022 0.000 1.092 325 D CA 0.721 54.717 54.000 -0.007 0.000 1.016 325 D CB 1.754 42.554 40.800 0.000 0.000 1.141 325 D HN 0.907 nan 8.370 nan 0.000 0.552 326 G N 0.230 109.014 108.800 -0.027 0.000 2.356 326 G HA2 -0.166 3.795 3.960 0.002 0.000 0.296 326 G HA3 -0.166 3.795 3.960 0.002 0.000 0.296 326 G C 0.016 174.879 174.900 -0.062 0.000 1.022 326 G CA 0.526 45.604 45.100 -0.037 0.000 0.961 326 G HN 0.359 nan 8.290 nan 0.000 0.510 327 V N 0.222 120.078 119.914 -0.096 0.000 2.567 327 V HA 0.515 4.637 4.120 0.002 0.000 0.289 327 V C 0.353 176.311 176.094 -0.226 0.000 1.049 327 V CA -0.622 61.591 62.300 -0.145 0.000 0.969 327 V CB 1.773 33.499 31.823 -0.162 0.000 0.995 327 V HN 0.390 nan 8.190 nan 0.000 0.471 328 E N 2.095 122.169 120.200 -0.209 0.000 2.221 328 E HA 0.208 4.559 4.350 0.002 0.000 0.268 328 E C 0.287 176.722 176.600 -0.274 0.000 0.933 328 E CA -0.525 55.732 56.400 -0.239 0.000 0.809 328 E CB 1.489 31.134 29.700 -0.090 0.000 1.190 328 E HN 0.689 nan 8.360 nan 0.000 0.406 329 W N 1.371 122.512 121.300 -0.265 0.000 2.308 329 W HA -0.261 4.400 4.660 0.002 0.000 0.301 329 W C 1.980 178.360 176.519 -0.231 0.000 1.220 329 W CA 1.491 58.599 57.345 -0.394 0.000 1.240 329 W CB -0.333 28.609 29.460 -0.863 0.000 1.142 329 W HN 0.589 nan 8.180 nan 0.000 0.521 330 N N 0.932 119.666 118.700 0.056 0.000 2.381 330 N HA -0.153 4.588 4.740 0.002 0.000 0.182 330 N C -0.029 175.491 175.510 0.017 0.000 1.025 330 N CA 1.139 54.216 53.050 0.045 0.000 0.888 330 N CB -0.414 38.099 38.487 0.042 0.000 0.965 330 N HN 0.068 nan 8.380 nan 0.000 0.438 331 D N -0.683 119.705 120.400 -0.021 0.000 2.449 331 D HA 0.020 4.661 4.640 0.002 0.000 0.236 331 D C -1.564 174.731 176.300 -0.009 0.000 1.149 331 D CA -1.315 52.668 54.000 -0.030 0.000 0.878 331 D CB 1.089 41.847 40.800 -0.071 0.000 1.198 331 D HN 0.129 nan 8.370 nan 0.000 0.446 332 P HA -0.079 nan 4.420 nan 0.000 0.225 332 P C 0.986 178.290 177.300 0.007 0.000 1.148 332 P CA 0.335 63.442 63.100 0.010 0.000 0.779 332 P CB 0.206 31.912 31.700 0.010 0.000 0.780 333 L N -1.813 119.402 121.223 -0.013 0.000 2.478 333 L HA 0.069 4.411 4.340 0.002 0.000 0.223 333 L C 1.679 178.521 176.870 -0.046 0.000 1.140 333 L CA 1.634 56.462 54.840 -0.020 0.000 0.842 333 L CB -0.784 41.256 42.059 -0.031 0.000 0.953 333 L HN -0.010 nan 8.230 nan 0.000 0.452 334 M N -2.352 117.218 119.600 -0.051 0.000 2.313 334 M HA 0.168 4.649 4.480 0.002 0.000 0.273 334 M C 1.979 178.331 176.300 0.086 0.000 1.049 334 M CA 0.347 55.603 55.300 -0.074 0.000 1.004 334 M CB -0.381 32.156 32.600 -0.105 0.000 1.461 334 M HN 0.310 nan 8.290 nan 0.000 0.514 335 S N 0.411 116.162 115.700 0.085 0.000 2.406 335 S HA 0.013 4.484 4.470 0.002 0.000 0.224 335 S C 0.676 175.371 174.600 0.159 0.000 1.030 335 S CA 0.102 58.387 58.200 0.142 0.000 0.958 335 S CB -0.024 63.225 63.200 0.081 0.000 0.811 335 S HN 0.624 nan 8.310 nan 0.000 0.489 336 E N 0.599 120.850 120.200 0.085 0.000 2.393 336 E HA 0.490 4.841 4.350 0.002 0.000 0.265 336 E C -1.019 175.602 176.600 0.037 0.000 0.941 336 E CA -1.140 55.304 56.400 0.074 0.000 0.801 336 E CB 0.753 30.489 29.700 0.060 0.000 1.313 336 E HN 0.206 nan 8.360 nan 0.000 0.435 337 E N 0.862 121.093 120.200 0.050 0.000 2.366 337 E HA -0.000 4.351 4.350 0.002 0.000 0.266 337 E C 0.319 176.996 176.600 0.130 0.000 1.015 337 E CA -0.084 56.364 56.400 0.081 0.000 0.906 337 E CB 0.563 30.309 29.700 0.077 0.000 0.979 337 E HN 0.584 nan 8.360 nan 0.000 0.443 338 L N 4.661 125.979 121.223 0.159 0.000 2.023 338 L HA -0.052 4.290 4.340 0.002 0.000 0.205 338 L C 0.893 177.936 176.870 0.289 0.000 1.073 338 L CA 0.367 55.307 54.840 0.168 0.000 0.745 338 L CB -0.175 41.954 42.059 0.116 0.000 0.900 338 L HN 0.767 nan 8.230 nan 0.000 0.435 339 F N 0.352 120.348 119.950 0.076 0.000 3.067 339 F HA -0.153 4.376 4.527 0.002 0.000 0.279 339 F C 0.456 176.326 175.800 0.116 0.000 0.945 339 F CA 0.669 58.736 58.000 0.111 0.000 0.948 339 F CB -1.425 37.669 39.000 0.157 0.000 0.898 339 F HN 0.163 nan 8.300 nan 0.000 0.746 340 G N -1.150 107.715 108.800 0.108 0.000 2.649 340 G HA2 0.607 4.568 3.960 0.002 0.000 0.290 340 G HA3 0.607 4.568 3.960 0.002 0.000 0.290 340 G C -2.968 171.970 174.900 0.064 0.000 1.426 340 G CA -0.935 44.217 45.100 0.087 0.000 0.794 340 G HN -0.257 nan 8.290 nan 0.000 0.483 341 P HA 0.269 nan 4.420 nan 0.000 0.246 341 P C -0.413 177.036 177.300 0.249 0.000 1.686 341 P CA 0.164 63.395 63.100 0.218 0.000 0.867 341 P CB -0.417 31.434 31.700 0.252 0.000 1.733 342 I N 0.285 120.925 120.570 0.117 0.000 2.406 342 I HA 0.304 4.475 4.170 0.002 0.000 0.290 342 I C -0.266 175.876 176.117 0.042 0.000 0.999 342 I CA -1.117 60.248 61.300 0.107 0.000 1.124 342 I CB 2.253 40.300 38.000 0.078 0.000 1.289 342 I HN -0.185 nan 8.210 nan 0.000 0.441 343 L N 9.652 130.909 121.223 0.057 0.000 2.313 343 L HA 0.575 4.916 4.340 0.002 0.000 0.273 343 L C -2.520 174.375 176.870 0.041 0.000 1.028 343 L CA -1.560 53.288 54.840 0.012 0.000 0.871 343 L CB 0.795 42.840 42.059 -0.022 0.000 1.242 343 L HN 0.257 nan 8.230 nan 0.000 0.434 344 P HA 0.278 nan 4.420 nan 0.000 0.274 344 P C -1.350 175.965 177.300 0.025 0.000 1.246 344 P CA -0.278 62.829 63.100 0.011 0.000 0.795 344 P CB 1.060 32.740 31.700 -0.033 0.000 1.006 345 V N 1.806 121.715 119.914 -0.009 0.000 2.569 345 V HA 0.365 4.486 4.120 0.002 0.000 0.301 345 V C -0.294 175.778 176.094 -0.037 0.000 1.044 345 V CA -0.438 61.870 62.300 0.013 0.000 0.874 345 V CB 1.270 33.106 31.823 0.022 0.000 1.002 345 V HN 0.293 nan 8.190 nan 0.000 0.424 346 L N 3.815 125.028 121.223 -0.018 0.000 2.303 346 L HA 0.749 5.090 4.340 0.002 0.000 0.266 346 L C 0.072 177.073 176.870 0.219 0.000 1.011 346 L CA -0.357 54.436 54.840 -0.079 0.000 0.818 346 L CB 1.822 43.564 42.059 -0.529 0.000 1.326 346 L HN 0.659 nan 8.230 nan 0.000 0.435 347 E N 0.537 120.878 120.200 0.236 0.000 2.359 347 E HA 0.773 5.124 4.350 0.002 0.000 0.266 347 E C -1.551 175.283 176.600 0.390 0.000 0.920 347 E CA -0.684 55.846 56.400 0.217 0.000 0.788 347 E CB 2.838 32.571 29.700 0.055 0.000 1.279 347 E HN 0.407 nan 8.360 nan 0.000 0.438 348 F N -1.429 118.591 119.950 0.117 0.000 2.711 348 F HA 0.508 5.036 4.527 0.002 0.000 0.313 348 F C -0.356 175.468 175.800 0.039 0.000 1.141 348 F CA -0.833 57.218 58.000 0.086 0.000 0.941 348 F CB 1.298 40.237 39.000 -0.102 0.000 1.349 348 F HN 0.373 nan 8.300 nan 0.000 0.464 349 D N 0.231 120.842 120.400 0.352 0.000 3.105 349 D HA 0.118 4.759 4.640 0.002 0.000 0.291 349 D C 0.163 176.790 176.300 0.545 0.000 1.218 349 D CA 0.786 54.968 54.000 0.303 0.000 1.029 349 D CB 0.773 41.662 40.800 0.148 0.000 1.207 349 D HN 0.392 nan 8.370 nan 0.000 0.437 350 S N 0.194 116.135 115.700 0.401 0.000 2.523 350 S HA 0.218 4.689 4.470 0.002 0.000 0.275 350 S C 1.598 176.338 174.600 0.233 0.000 1.281 350 S CA -0.521 57.857 58.200 0.298 0.000 1.050 350 S CB 1.276 64.580 63.200 0.174 0.000 0.937 350 S HN 0.049 nan 8.310 nan 0.000 0.492 351 V N 6.023 126.039 119.914 0.170 0.000 2.324 351 V HA -0.203 3.918 4.120 0.002 0.000 0.250 351 V C 2.613 178.665 176.094 -0.070 0.000 1.060 351 V CA 2.400 64.683 62.300 -0.029 0.000 1.042 351 V CB -0.854 30.981 31.823 0.020 0.000 0.650 351 V HN 0.856 nan 8.190 nan 0.000 0.450 352 R N 0.465 120.970 120.500 0.008 0.000 2.094 352 R HA -0.193 4.148 4.340 0.002 0.000 0.239 352 R C 2.288 178.594 176.300 0.010 0.000 1.137 352 R CA 2.690 58.796 56.100 0.009 0.000 0.943 352 R CB -1.267 29.052 30.300 0.031 0.000 0.850 352 R HN 0.477 nan 8.270 nan 0.000 0.433 353 T N 0.269 114.850 114.554 0.045 0.000 2.821 353 T HA -0.039 4.312 4.350 0.002 0.000 0.267 353 T C 1.698 176.450 174.700 0.087 0.000 1.046 353 T CA 1.307 63.459 62.100 0.086 0.000 1.139 353 T CB -0.461 68.500 68.868 0.154 0.000 0.871 353 T HN 0.482 nan 8.240 nan 0.000 0.454 354 A N 1.428 124.202 122.820 -0.075 0.000 1.865 354 A HA -0.091 4.230 4.320 0.002 0.000 0.217 354 A C 2.215 179.817 177.584 0.030 0.000 1.191 354 A CA 1.520 53.425 52.037 -0.220 0.000 0.623 354 A CB -0.914 17.398 19.000 -1.147 0.000 0.826 354 A HN 0.522 nan 8.150 nan 0.000 0.444 355 I N 0.060 120.595 120.570 -0.058 0.000 2.087 355 I HA -0.333 3.838 4.170 0.002 0.000 0.240 355 I C 2.023 178.151 176.117 0.019 0.000 1.054 355 I CA 1.923 63.220 61.300 -0.006 0.000 1.311 355 I CB -0.680 37.302 38.000 -0.029 0.000 1.024 355 I HN 0.267 nan 8.210 nan 0.000 0.402 356 D N 0.212 120.617 120.400 0.007 0.000 2.182 356 D HA -0.179 4.462 4.640 0.002 0.000 0.201 356 D C 2.307 178.574 176.300 -0.055 0.000 0.986 356 D CA 1.024 55.010 54.000 -0.023 0.000 0.847 356 D CB -0.265 40.527 40.800 -0.013 0.000 0.942 356 D HN 0.386 nan 8.370 nan 0.000 0.467 357 Q N 0.070 119.883 119.800 0.023 0.000 2.123 357 Q HA -0.018 4.324 4.340 0.002 0.000 0.199 357 Q C 2.521 178.347 176.000 -0.289 0.000 0.966 357 Q CA 0.382 56.129 55.803 -0.093 0.000 0.845 357 Q CB -0.390 28.466 28.738 0.197 0.000 0.907 357 Q HN 0.240 nan 8.270 nan 0.000 0.439 358 V N 2.348 122.260 119.914 -0.003 0.000 2.295 358 V HA -0.245 3.876 4.120 0.002 0.000 0.246 358 V C 1.916 177.980 176.094 -0.049 0.000 1.049 358 V CA 1.752 64.085 62.300 0.056 0.000 1.024 358 V CB -0.621 31.354 31.823 0.254 0.000 0.648 358 V HN 0.324 nan 8.190 nan 0.000 0.447 359 N N 0.286 118.948 118.700 -0.063 0.000 2.149 359 N HA -0.204 4.538 4.740 0.002 0.000 0.188 359 N C 1.832 177.224 175.510 -0.196 0.000 1.019 359 N CA 1.612 54.602 53.050 -0.099 0.000 0.857 359 N CB -0.355 38.083 38.487 -0.082 0.000 0.997 359 N HN 0.555 nan 8.380 nan 0.000 0.426 360 K N -0.083 120.130 120.400 -0.312 0.000 2.062 360 K HA -0.093 4.228 4.320 0.002 0.000 0.205 360 K C 1.412 177.630 176.600 -0.638 0.000 1.051 360 K CA 1.108 57.098 56.287 -0.495 0.000 0.941 360 K CB 0.068 32.172 32.500 -0.660 0.000 0.719 360 K HN 0.327 nan 8.250 nan 0.000 0.440 361 H N -1.829 116.939 119.070 -0.504 0.000 2.439 361 H HA 0.122 4.679 4.556 0.002 0.000 0.299 361 H C 0.309 175.213 175.328 -0.706 0.000 1.033 361 H CA 0.634 56.316 56.048 -0.609 0.000 1.348 361 H CB 0.603 29.876 29.762 -0.815 0.000 1.449 361 H HN 0.210 nan 8.280 nan 0.000 0.544 362 H N 0.252 119.294 119.070 -0.047 0.000 2.490 362 H HA 0.245 4.802 4.556 0.002 0.000 0.230 362 H C -2.565 172.778 175.328 0.026 0.000 1.417 362 H CA -1.635 54.434 56.048 0.035 0.000 1.449 362 H CB 1.257 31.103 29.762 0.140 0.000 1.649 362 H HN 0.226 nan 8.280 nan 0.000 0.519 363 P HA 0.046 nan 4.420 nan 0.000 0.272 363 P C -0.075 177.234 177.300 0.015 0.000 1.230 363 P CA -0.327 62.773 63.100 -0.000 0.000 0.788 363 P CB 0.845 32.513 31.700 -0.053 0.000 0.949 364 K N -1.371 119.023 120.400 -0.010 0.000 3.689 364 K HA -0.154 4.167 4.320 0.002 0.000 0.276 364 K C -2.316 174.272 176.600 -0.020 0.000 0.932 364 K CA -0.090 56.178 56.287 -0.031 0.000 0.758 364 K CB -1.687 30.787 32.500 -0.044 0.000 1.500 364 K HN 0.448 nan 8.250 nan 0.000 0.448 365 P HA 0.039 nan 4.420 nan 0.000 0.278 365 P C 0.670 177.921 177.300 -0.082 0.000 1.258 365 P CA -0.794 62.294 63.100 -0.021 0.000 0.811 365 P CB 0.664 32.357 31.700 -0.012 0.000 1.063 366 L N 0.540 121.714 121.223 -0.081 0.000 2.127 366 L HA 0.043 4.384 4.340 0.002 0.000 0.211 366 L C 0.545 177.313 176.870 -0.170 0.000 1.089 366 L CA 1.827 56.591 54.840 -0.127 0.000 0.757 366 L CB -1.207 40.808 42.059 -0.074 0.000 0.899 366 L HN 0.515 nan 8.230 nan 0.000 0.434 367 A N -2.130 120.562 122.820 -0.213 0.000 2.547 367 A HA 0.635 4.956 4.320 0.002 0.000 0.297 367 A C -1.407 175.880 177.584 -0.494 0.000 1.056 367 A CA -0.544 51.260 52.037 -0.388 0.000 0.688 367 A CB 1.346 20.046 19.000 -0.500 0.000 1.282 367 A HN -0.192 nan 8.150 nan 0.000 0.400 368 V N 2.325 121.973 119.914 -0.444 0.000 2.459 368 V HA 0.529 4.650 4.120 0.002 0.000 0.295 368 V C -1.365 174.533 176.094 -0.325 0.000 1.029 368 V CA -0.326 61.781 62.300 -0.321 0.000 0.874 368 V CB 1.188 32.931 31.823 -0.133 0.000 0.985 368 V HN 0.722 nan 8.190 nan 0.000 0.438 369 Y N 3.309 123.632 120.300 0.037 0.000 2.341 369 Y HA 0.686 5.237 4.550 0.002 0.000 0.338 369 Y C -0.061 175.933 175.900 0.157 0.000 0.965 369 Y CA -1.138 57.021 58.100 0.098 0.000 1.108 369 Y CB 2.001 40.592 38.460 0.218 0.000 1.180 369 Y HN 0.308 nan 8.280 nan 0.000 0.458 370 V N 4.882 124.946 119.914 0.250 0.000 2.531 370 V HA 0.422 4.543 4.120 0.002 0.000 0.301 370 V C -0.986 175.179 176.094 0.119 0.000 1.034 370 V CA -1.126 61.300 62.300 0.210 0.000 0.865 370 V CB 1.456 33.333 31.823 0.091 0.000 0.995 370 V HN 0.550 nan 8.190 nan 0.000 0.424 371 F N 3.117 123.115 119.950 0.079 0.000 2.402 371 F HA 0.839 5.366 4.527 0.001 0.000 0.355 371 F C 0.756 176.583 175.800 0.046 0.000 1.123 371 F CA -0.082 57.952 58.000 0.056 0.000 1.021 371 F CB 2.118 41.148 39.000 0.051 0.000 1.160 371 F HN 0.678 nan 8.300 nan 0.000 0.451 372 G N 2.671 111.538 108.800 0.112 0.000 2.451 372 G HA2 0.299 4.260 3.960 0.002 0.000 0.292 372 G HA3 0.299 4.260 3.960 0.002 0.000 0.292 372 G C -0.698 174.217 174.900 0.025 0.000 1.427 372 G CA -0.751 44.392 45.100 0.072 0.000 0.792 372 G HN 0.262 nan 8.290 nan 0.000 0.498 373 K N -0.315 120.095 120.400 0.015 0.000 2.373 373 K HA 0.191 4.512 4.320 0.002 0.000 0.200 373 K C -0.179 176.419 176.600 -0.003 0.000 1.054 373 K CA -0.117 56.172 56.287 0.003 0.000 1.065 373 K CB 1.031 33.534 32.500 0.006 0.000 0.886 373 K HN 0.478 nan 8.250 nan 0.000 0.546 374 D N 1.656 122.055 120.400 -0.002 0.000 2.380 374 D HA 0.104 4.745 4.640 0.002 0.000 0.230 374 D C 1.058 177.354 176.300 -0.006 0.000 1.154 374 D CA -0.084 53.913 54.000 -0.004 0.000 0.859 374 D CB 0.834 41.632 40.800 -0.004 0.000 1.045 374 D HN -0.231 nan 8.370 nan 0.000 0.495 375 M N 2.255 121.850 119.600 -0.009 0.000 2.132 375 M HA -0.117 4.364 4.480 0.002 0.000 0.263 375 M C 1.114 177.408 176.300 -0.011 0.000 1.065 375 M CA 1.087 56.379 55.300 -0.013 0.000 1.122 375 M CB -0.564 32.027 32.600 -0.014 0.000 1.365 375 M HN 0.371 nan 8.290 nan 0.000 0.411 376 D N 0.308 120.704 120.400 -0.007 0.000 2.104 376 D HA -0.116 4.525 4.640 0.002 0.000 0.194 376 D C 2.275 178.572 176.300 -0.005 0.000 0.994 376 D CA 1.167 55.164 54.000 -0.006 0.000 0.830 376 D CB -0.427 40.370 40.800 -0.004 0.000 0.959 376 D HN 0.173 nan 8.370 nan 0.000 0.452 377 V N 1.556 121.469 119.914 -0.002 0.000 2.295 377 V HA -0.240 3.882 4.120 0.002 0.000 0.246 377 V C 2.569 178.663 176.094 -0.000 0.000 1.049 377 V CA 1.861 64.161 62.300 0.001 0.000 1.024 377 V CB -0.882 30.945 31.823 0.006 0.000 0.648 377 V HN 0.191 nan 8.190 nan 0.000 0.447 378 A N 0.013 122.832 122.820 -0.001 0.000 1.858 378 A HA -0.240 4.081 4.320 0.002 0.000 0.216 378 A C 2.291 179.869 177.584 -0.011 0.000 1.190 378 A CA 2.062 54.098 52.037 -0.002 0.000 0.617 378 A CB -0.471 18.522 19.000 -0.012 0.000 0.827 378 A HN 0.550 nan 8.150 nan 0.000 0.443 379 K N -0.721 119.670 120.400 -0.015 0.000 2.097 379 K HA -0.077 4.244 4.320 0.002 0.000 0.206 379 K C 2.084 178.674 176.600 -0.017 0.000 1.049 379 K CA 0.958 57.234 56.287 -0.019 0.000 0.933 379 K CB -0.436 32.053 32.500 -0.017 0.000 0.717 379 K HN 0.474 nan 8.250 nan 0.000 0.442 380 G N 1.794 110.586 108.800 -0.013 0.000 2.442 380 G HA2 -0.234 3.727 3.960 0.002 0.000 0.219 380 G HA3 -0.234 3.727 3.960 0.002 0.000 0.219 380 G C 1.511 176.400 174.900 -0.017 0.000 1.141 380 G CA 0.690 45.782 45.100 -0.014 0.000 0.763 380 G HN 0.140 nan 8.290 nan 0.000 0.554 381 I N 0.362 120.921 120.570 -0.017 0.000 2.179 381 I HA -0.154 4.017 4.170 0.002 0.000 0.242 381 I C 2.677 178.781 176.117 -0.021 0.000 1.088 381 I CA 0.883 62.170 61.300 -0.021 0.000 1.357 381 I CB -0.254 37.735 38.000 -0.019 0.000 1.051 381 I HN 0.140 nan 8.210 nan 0.000 0.409 382 I N 1.075 121.631 120.570 -0.023 0.000 2.208 382 I HA -0.318 3.853 4.170 0.002 0.000 0.245 382 I C 2.127 178.222 176.117 -0.037 0.000 1.097 382 I CA 1.393 62.673 61.300 -0.033 0.000 1.363 382 I CB -0.501 37.476 38.000 -0.038 0.000 1.051 382 I HN 0.314 nan 8.210 nan 0.000 0.413 383 N N 0.564 119.245 118.700 -0.031 0.000 2.289 383 N HA -0.175 4.566 4.740 0.002 0.000 0.184 383 N C 1.428 176.920 175.510 -0.030 0.000 1.016 383 N CA 1.072 54.104 53.050 -0.030 0.000 0.872 383 N CB -0.209 38.264 38.487 -0.024 0.000 0.973 383 N HN 0.552 nan 8.380 nan 0.000 0.433 384 Q N -0.194 119.589 119.800 -0.028 0.000 2.319 384 Q HA 0.293 4.634 4.340 0.002 0.000 0.202 384 Q C -0.243 175.740 176.000 -0.028 0.000 0.896 384 Q CA 0.156 55.943 55.803 -0.027 0.000 0.942 384 Q CB 0.857 29.581 28.738 -0.024 0.000 1.083 384 Q HN 0.302 nan 8.270 nan 0.000 0.510 385 I N 1.397 121.950 120.570 -0.029 0.000 2.439 385 I HA 0.177 4.348 4.170 0.002 0.000 0.283 385 I C -0.338 175.754 176.117 -0.043 0.000 1.023 385 I CA -0.657 60.626 61.300 -0.028 0.000 1.100 385 I CB 1.670 39.664 38.000 -0.011 0.000 1.238 385 I HN -0.055 nan 8.210 nan 0.000 0.445 386 Q N 4.624 124.396 119.800 -0.046 0.000 2.330 386 Q HA 0.366 4.707 4.340 0.002 0.000 0.279 386 Q C -0.173 175.787 176.000 -0.067 0.000 1.024 386 Q CA 0.165 55.933 55.803 -0.058 0.000 0.900 386 Q CB 1.084 29.788 28.738 -0.057 0.000 1.221 386 Q HN 0.825 nan 8.270 nan 0.000 0.396 387 S N -0.345 115.302 115.700 -0.088 0.000 2.595 387 S HA 0.423 4.894 4.470 0.002 0.000 0.270 387 S C 0.594 175.110 174.600 -0.139 0.000 1.145 387 S CA -0.552 57.582 58.200 -0.110 0.000 0.825 387 S CB 0.719 63.844 63.200 -0.125 0.000 1.107 387 S HN 0.619 nan 8.310 nan 0.000 0.461 388 G N 0.611 109.311 108.800 -0.168 0.000 2.459 388 G HA2 0.168 4.129 3.960 0.002 0.000 0.217 388 G HA3 0.168 4.129 3.960 0.002 0.000 0.217 388 G C -0.032 174.740 174.900 -0.214 0.000 1.183 388 G CA 1.393 46.367 45.100 -0.210 0.000 0.776 388 G HN 0.832 nan 8.290 nan 0.000 0.552 389 D N -1.929 118.334 120.400 -0.229 0.000 2.664 389 D HA 0.640 5.281 4.640 0.002 0.000 0.292 389 D C -0.655 175.461 176.300 -0.307 0.000 1.214 389 D CA 0.161 54.011 54.000 -0.250 0.000 0.932 389 D CB 1.779 42.427 40.800 -0.253 0.000 1.420 389 D HN 0.399 nan 8.370 nan 0.000 0.471 390 A N 0.113 122.737 122.820 -0.327 0.000 2.608 390 A HA 0.602 4.923 4.320 0.002 0.000 0.292 390 A C -1.722 175.773 177.584 -0.149 0.000 1.066 390 A CA -0.634 51.256 52.037 -0.245 0.000 0.676 390 A CB 2.064 20.972 19.000 -0.153 0.000 1.277 390 A HN 0.354 nan 8.150 nan 0.000 0.413 391 Q N -0.035 119.767 119.800 0.004 0.000 2.421 391 Q HA 0.628 4.969 4.340 0.002 0.000 0.280 391 Q C -1.521 174.474 176.000 -0.008 0.000 1.085 391 Q CA -0.977 54.855 55.803 0.048 0.000 0.807 391 Q CB 2.859 31.695 28.738 0.163 0.000 1.405 391 Q HN 0.549 nan 8.270 nan 0.000 0.419 392 V N 2.823 122.675 119.914 -0.103 0.000 2.384 392 V HA 0.251 4.372 4.120 0.002 0.000 0.287 392 V C -0.085 175.770 176.094 -0.399 0.000 1.020 392 V CA -0.566 61.608 62.300 -0.210 0.000 0.850 392 V CB 1.226 32.974 31.823 -0.126 0.000 0.987 392 V HN 0.854 nan 8.190 nan 0.000 0.436 393 N N 2.923 121.080 118.700 -0.906 0.000 2.776 393 N HA -0.142 4.599 4.740 0.002 0.000 0.250 393 N C 0.060 175.093 175.510 -0.794 0.000 1.112 393 N CA 1.343 53.672 53.050 -1.201 0.000 0.733 393 N CB -0.948 37.285 38.487 -0.422 0.000 1.097 393 N HN 1.106 nan 8.380 nan 0.000 0.558 394 G N -2.026 106.367 108.800 -0.678 0.000 2.660 394 G HA2 0.693 4.654 3.960 0.002 0.000 0.290 394 G HA3 0.693 4.654 3.960 0.002 0.000 0.290 394 G C -1.560 173.268 174.900 -0.120 0.000 1.432 394 G CA -0.318 44.705 45.100 -0.129 0.000 0.807 394 G HN 0.181 nan 8.290 nan 0.000 0.485 395 V N 0.940 120.818 119.914 -0.060 0.000 3.012 395 V HA 0.553 4.675 4.120 0.002 0.000 0.307 395 V C 0.877 176.982 176.094 0.019 0.000 1.166 395 V CA 0.489 62.537 62.300 -0.420 0.000 0.974 395 V CB 1.707 33.292 31.823 -0.397 0.000 1.040 395 V HN 1.374 nan 8.190 nan 0.000 0.428 396 M N 2.539 122.209 119.600 0.116 0.000 2.811 396 M HA -0.281 4.200 4.480 0.002 0.000 0.150 396 M C 0.732 177.007 176.300 -0.041 0.000 0.694 396 M CA 2.386 57.734 55.300 0.080 0.000 0.571 396 M CB -1.034 31.556 32.600 -0.018 0.000 2.098 396 M HN 0.578 nan 8.290 nan 0.000 0.260 397 L N 1.286 122.638 121.223 0.215 0.000 2.450 397 L HA -0.186 4.155 4.340 0.002 0.000 0.224 397 L C 2.343 179.261 176.870 0.080 0.000 1.149 397 L CA 1.340 56.326 54.840 0.243 0.000 0.816 397 L CB -1.095 41.140 42.059 0.293 0.000 0.932 397 L HN 0.645 nan 8.230 nan 0.000 0.449 398 H N -0.108 118.996 119.070 0.056 0.000 2.421 398 H HA -0.069 4.488 4.556 0.002 0.000 0.298 398 H C 2.044 177.361 175.328 -0.018 0.000 1.087 398 H CA 1.179 57.264 56.048 0.062 0.000 1.330 398 H CB -0.380 29.451 29.762 0.115 0.000 1.388 398 H HN 0.285 nan 8.280 nan 0.000 0.526 399 A N 0.718 123.080 122.820 -0.763 0.000 2.178 399 A HA -0.029 4.293 4.320 0.002 0.000 0.218 399 A C 0.948 178.097 177.584 -0.725 0.000 1.157 399 A CA 0.665 52.198 52.037 -0.840 0.000 0.689 399 A CB -0.883 17.284 19.000 -1.388 0.000 0.787 399 A HN 0.315 nan 8.150 nan 0.000 0.465 400 F N -0.591 119.235 119.950 -0.207 0.000 2.647 400 F HA 0.329 4.857 4.527 0.002 0.000 0.300 400 F C 0.966 176.658 175.800 -0.180 0.000 1.106 400 F CA -0.448 57.418 58.000 -0.223 0.000 1.313 400 F CB 0.070 38.971 39.000 -0.165 0.000 1.007 400 F HN 0.057 nan 8.300 nan 0.000 0.536 401 S N 2.369 118.073 115.700 0.008 0.000 2.449 401 S HA 0.373 4.844 4.470 0.002 0.000 0.310 401 S C -1.618 172.919 174.600 -0.104 0.000 1.096 401 S CA -1.535 56.670 58.200 0.009 0.000 1.095 401 S CB 1.316 64.607 63.200 0.151 0.000 1.007 401 S HN -0.054 nan 8.310 nan 0.000 0.474 402 P HA 0.061 nan 4.420 nan 0.000 0.245 402 P C 0.153 177.104 177.300 -0.582 0.000 1.212 402 P CA 0.410 63.104 63.100 -0.678 0.000 0.774 402 P CB -0.131 30.623 31.700 -1.575 0.000 0.999 403 Y N -0.293 119.951 120.300 -0.093 0.000 2.523 403 Y HA 0.202 4.753 4.550 0.002 0.000 0.279 403 Y C 1.424 177.512 175.900 0.312 0.000 1.139 403 Y CA 0.070 58.246 58.100 0.126 0.000 1.296 403 Y CB -0.149 38.386 38.460 0.126 0.000 1.045 403 Y HN -0.166 nan 8.280 nan 0.000 0.538 404 L N 2.664 124.102 121.223 0.358 0.000 2.296 404 L HA 0.402 4.743 4.340 0.002 0.000 0.286 404 L C -2.497 174.469 176.870 0.160 0.000 1.023 404 L CA -2.342 52.658 54.840 0.268 0.000 0.812 404 L CB 1.458 43.646 42.059 0.215 0.000 1.223 404 L HN -0.204 nan 8.230 nan 0.000 0.421 405 P HA 0.025 nan 4.420 nan 0.000 0.268 405 P C -1.080 176.130 177.300 -0.149 0.000 1.204 405 P CA 0.088 62.857 63.100 -0.552 0.000 0.768 405 P CB 0.337 31.402 31.700 -1.058 0.000 0.842 406 F N 3.123 122.892 119.950 -0.301 0.000 2.449 406 F HA 0.723 5.251 4.527 0.002 0.000 0.342 406 F C 0.135 175.857 175.800 -0.130 0.000 1.127 406 F CA 0.228 58.064 58.000 -0.273 0.000 0.975 406 F CB 1.371 39.996 39.000 -0.624 0.000 1.146 406 F HN 0.539 nan 8.300 nan 0.000 0.444 407 G N 2.754 111.125 108.800 -0.715 0.000 2.368 407 G HA2 0.462 4.423 3.960 0.002 0.000 0.293 407 G HA3 0.462 4.423 3.960 0.002 0.000 0.293 407 G C -1.338 173.289 174.900 -0.454 0.000 1.467 407 G CA -0.231 44.558 45.100 -0.519 0.000 0.804 407 G HN 1.010 nan 8.290 nan 0.000 0.535 408 G N -1.380 107.225 108.800 -0.325 0.000 2.671 408 G HA2 0.758 4.719 3.960 0.002 0.000 0.275 408 G HA3 0.758 4.719 3.960 0.002 0.000 0.275 408 G C -0.840 173.955 174.900 -0.175 0.000 1.368 408 G CA -0.655 44.300 45.100 -0.242 0.000 1.044 408 G HN 1.205 nan 8.290 nan 0.000 0.543 409 I N -1.231 119.257 120.570 -0.137 0.000 2.722 409 I HA 0.526 4.697 4.170 0.002 0.000 0.295 409 I C 0.840 176.904 176.117 -0.089 0.000 1.161 409 I CA 0.574 61.808 61.300 -0.110 0.000 1.032 409 I CB 1.575 39.514 38.000 -0.102 0.000 1.244 409 I HN 1.249 nan 8.210 nan 0.000 0.421 410 G N 4.993 113.745 108.800 -0.081 0.000 2.596 410 G HA2 -0.392 3.569 3.960 0.002 0.000 0.304 410 G HA3 -0.392 3.569 3.960 0.002 0.000 0.304 410 G C 0.878 175.739 174.900 -0.065 0.000 1.189 410 G CA 0.708 45.767 45.100 -0.069 0.000 0.986 410 G HN 1.409 nan 8.290 nan 0.000 0.548 411 A N -0.113 122.677 122.820 -0.050 0.000 2.121 411 A HA 0.316 4.637 4.320 0.002 0.000 0.218 411 A C 2.506 180.068 177.584 -0.037 0.000 1.154 411 A CA 2.902 54.916 52.037 -0.038 0.000 0.679 411 A CB -0.545 18.445 19.000 -0.018 0.000 0.795 411 A HN 1.976 nan 8.150 nan 0.000 0.458 412 S N -1.972 113.697 115.700 -0.051 0.000 2.575 412 S HA 0.485 4.956 4.470 0.002 0.000 0.215 412 S C 0.868 175.411 174.600 -0.095 0.000 0.966 412 S CA 0.531 58.693 58.200 -0.064 0.000 0.911 412 S CB -0.249 62.906 63.200 -0.075 0.000 0.780 412 S HN 1.815 nan 8.310 nan 0.000 0.514 413 G N 1.142 109.883 108.800 -0.097 0.000 2.353 413 G HA2 0.274 4.235 3.960 0.002 0.000 0.424 413 G HA3 0.274 4.235 3.960 0.002 0.000 0.424 413 G C -1.187 173.634 174.900 -0.131 0.000 1.320 413 G CA -0.590 44.439 45.100 -0.118 0.000 0.995 413 G HN 0.760 nan 8.290 nan 0.000 0.580 414 M N -0.694 118.818 119.600 -0.147 0.000 2.393 414 M HA 0.770 5.251 4.480 0.002 0.000 0.299 414 M C 0.293 176.501 176.300 -0.154 0.000 1.103 414 M CA -0.071 55.146 55.300 -0.138 0.000 0.910 414 M CB 1.907 34.432 32.600 -0.124 0.000 1.659 414 M HN 2.829 nan 8.290 nan 0.000 0.445 415 G N 2.232 110.961 108.800 -0.119 0.000 2.690 415 G HA2 0.067 4.028 3.960 0.002 0.000 0.686 415 G HA3 0.067 4.028 3.960 0.002 0.000 0.686 415 G C -1.675 173.186 174.900 -0.065 0.000 1.277 415 G CA -0.805 44.244 45.100 -0.086 0.000 0.799 415 G HN 0.936 nan 8.290 nan 0.000 0.613 416 E N -0.954 119.260 120.200 0.023 0.000 2.416 416 E HA 0.844 5.196 4.350 0.002 0.000 0.273 416 E C -0.062 176.756 176.600 0.364 0.000 0.935 416 E CA -0.513 55.941 56.400 0.091 0.000 0.784 416 E CB 2.050 31.683 29.700 -0.112 0.000 1.301 416 E HN 1.222 nan 8.360 nan 0.000 0.454 417 Y N -2.380 117.996 120.300 0.127 0.000 2.958 417 Y HA 0.669 5.221 4.550 0.002 0.000 0.315 417 Y C -0.899 175.140 175.900 0.231 0.000 1.541 417 Y CA -1.217 57.044 58.100 0.268 0.000 1.087 417 Y CB 1.212 39.923 38.460 0.419 0.000 1.593 417 Y HN 0.661 nan 8.280 nan 0.000 0.446 418 H N -0.338 118.762 119.070 0.050 0.000 5.107 418 H HA 0.144 4.701 4.556 0.002 0.000 0.457 418 H C 0.473 175.887 175.328 0.142 0.000 1.017 418 H CA 0.311 56.338 56.048 -0.036 0.000 0.995 418 H CB -0.897 28.764 29.762 -0.168 0.000 2.171 418 H HN 1.749 nan 8.280 nan 0.000 0.414 419 G N 0.617 109.526 108.800 0.181 0.000 2.602 419 G HA2 -0.459 3.502 3.960 0.002 0.000 0.306 419 G HA3 -0.459 3.502 3.960 0.002 0.000 0.306 419 G C 0.708 175.616 174.900 0.014 0.000 1.301 419 G CA 1.083 46.284 45.100 0.170 0.000 0.974 419 G HN 1.001 nan 8.290 nan 0.000 0.547 420 H N -0.293 118.465 119.070 -0.519 0.000 2.426 420 H HA -0.093 4.464 4.556 0.002 0.000 0.298 420 H C 2.651 177.585 175.328 -0.657 0.000 1.107 420 H CA 1.948 57.244 56.048 -1.253 0.000 1.298 420 H CB -0.122 28.953 29.762 -1.144 0.000 1.377 420 H HN 0.409 nan 8.280 nan 0.000 0.519 421 F N 0.166 120.054 119.950 -0.104 0.000 2.234 421 F HA -0.140 4.388 4.527 0.002 0.000 0.299 421 F C 2.851 178.705 175.800 0.090 0.000 1.087 421 F CA 0.765 58.736 58.000 -0.049 0.000 1.340 421 F CB -0.533 38.488 39.000 0.035 0.000 1.031 421 F HN 0.063 nan 8.300 nan 0.000 0.500 422 S N -0.726 115.186 115.700 0.353 0.000 2.370 422 S HA -0.256 4.215 4.470 0.002 0.000 0.226 422 S C 1.890 176.732 174.600 0.402 0.000 1.033 422 S CA 1.340 59.821 58.200 0.468 0.000 1.011 422 S CB -0.674 62.805 63.200 0.465 0.000 0.852 422 S HN 0.488 nan 8.310 nan 0.000 0.457 423 Y N 2.181 122.538 120.300 0.094 0.000 2.145 423 Y HA -0.087 4.464 4.550 0.002 0.000 0.286 423 Y C 1.857 177.788 175.900 0.052 0.000 1.145 423 Y CA 1.374 59.529 58.100 0.091 0.000 1.148 423 Y CB -0.482 37.982 38.460 0.007 0.000 0.981 423 Y HN 0.146 nan 8.280 nan 0.000 0.507 424 L N -1.078 120.071 121.223 -0.123 0.000 2.141 424 L HA -0.194 4.147 4.340 0.002 0.000 0.209 424 L C 2.293 179.106 176.870 -0.096 0.000 1.094 424 L CA 1.647 56.365 54.840 -0.203 0.000 0.763 424 L CB -0.793 41.146 42.059 -0.199 0.000 0.908 424 L HN 0.179 nan 8.230 nan 0.000 0.437 425 T N -0.806 113.759 114.554 0.018 0.000 2.904 425 T HA -0.074 4.278 4.350 0.002 0.000 0.267 425 T C 1.142 175.683 174.700 -0.266 0.000 1.059 425 T CA 1.148 63.235 62.100 -0.022 0.000 1.137 425 T CB -0.144 68.789 68.868 0.108 0.000 0.879 425 T HN 0.125 nan 8.240 nan 0.000 0.467 426 F N 1.940 121.796 119.950 -0.157 0.000 2.660 426 F HA 0.244 4.772 4.527 0.002 0.000 0.302 426 F C 1.225 176.920 175.800 -0.176 0.000 1.103 426 F CA -0.310 57.550 58.000 -0.233 0.000 1.340 426 F CB 0.067 38.996 39.000 -0.118 0.000 1.048 426 F HN 0.087 nan 8.300 nan 0.000 0.551 427 T N -3.276 111.160 114.554 -0.195 0.000 2.864 427 T HA 0.528 4.879 4.350 0.002 0.000 0.289 427 T C -0.967 173.399 174.700 -0.557 0.000 1.082 427 T CA -0.788 61.025 62.100 -0.478 0.000 1.009 427 T CB 1.938 70.506 68.868 -0.500 0.000 1.234 427 T HN 0.219 nan 8.240 nan 0.000 0.526 428 H N -1.020 117.626 119.070 -0.708 0.000 2.621 428 H HA 0.705 5.262 4.556 0.002 0.000 0.360 428 H C -0.884 174.315 175.328 -0.215 0.000 1.163 428 H CA -1.070 54.737 56.048 -0.401 0.000 1.194 428 H CB 1.327 30.853 29.762 -0.393 0.000 1.649 428 H HN 0.543 nan 8.280 nan 0.000 0.532 429 K N 2.455 122.707 120.400 -0.246 0.000 2.285 429 K HA 0.129 4.450 4.320 0.002 0.000 0.286 429 K C -0.581 175.863 176.600 -0.260 0.000 1.072 429 K CA -0.506 55.643 56.287 -0.231 0.000 0.913 429 K CB 0.823 33.279 32.500 -0.072 0.000 1.067 429 K HN 0.510 nan 8.250 nan 0.000 0.479 430 K N 2.391 122.596 120.400 -0.323 0.000 2.367 430 K HA 0.185 4.507 4.320 0.002 0.000 0.263 430 K C -0.822 175.705 176.600 -0.121 0.000 1.000 430 K CA -0.367 55.799 56.287 -0.200 0.000 0.891 430 K CB 1.014 33.368 32.500 -0.244 0.000 1.117 430 K HN 0.425 nan 8.250 nan 0.000 0.443 431 S N 2.059 117.708 115.700 -0.085 0.000 2.565 431 S HA 0.257 4.728 4.470 0.002 0.000 0.276 431 S C -0.581 173.907 174.600 -0.186 0.000 1.326 431 S CA -0.631 57.499 58.200 -0.116 0.000 1.045 431 S CB 1.167 64.326 63.200 -0.069 0.000 0.918 431 S HN 0.396 nan 8.310 nan 0.000 0.505 432 V N 3.694 123.407 119.914 -0.335 0.000 2.623 432 V HA 0.533 4.654 4.120 0.002 0.000 0.304 432 V C -0.159 175.695 176.094 -0.399 0.000 1.054 432 V CA -0.833 61.195 62.300 -0.455 0.000 0.882 432 V CB 1.695 32.982 31.823 -0.894 0.000 1.002 432 V HN 0.821 nan 8.190 nan 0.000 0.424 433 R N 4.904 125.278 120.500 -0.211 0.000 2.534 433 R HA 0.698 5.039 4.340 0.002 0.000 0.301 433 R C -1.601 174.664 176.300 -0.059 0.000 0.961 433 R CA -0.664 55.369 56.100 -0.112 0.000 0.871 433 R CB 1.381 31.642 30.300 -0.064 0.000 1.170 433 R HN 0.599 nan 8.270 nan 0.000 0.446 434 I N 5.855 126.422 120.570 -0.006 0.000 2.382 434 I HA 0.264 4.435 4.170 0.002 0.000 0.285 434 I C -0.288 175.847 176.117 0.030 0.000 1.007 434 I CA -0.815 60.505 61.300 0.033 0.000 1.142 434 I CB 1.423 39.480 38.000 0.097 0.000 1.289 434 I HN 0.363 nan 8.210 nan 0.000 0.453 435 V N 8.014 127.940 119.914 0.019 0.000 2.481 435 V HA 0.401 4.522 4.120 0.002 0.000 0.286 435 V C -1.398 174.708 176.094 0.020 0.000 1.042 435 V CA -1.080 61.230 62.300 0.018 0.000 0.928 435 V CB 0.956 32.785 31.823 0.010 0.000 0.986 435 V HN 0.643 nan 8.190 nan 0.000 0.462 436 P HA 0.000 nan 4.420 nan 0.000 0.216 436 P CA 0.000 63.111 63.100 0.018 0.000 0.800 436 P CB 0.000 31.710 31.700 0.016 0.000 0.726