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 3c6n_1_B DATA FIRST_RESID 10 DATA SEQUENCE PEEVLEHVFS FIQLDKDRNS VSLVCKSWYE IERWCRRKVF IGNCYAVSPA DATA SEQUENCE TVIRRFPKVR SVELKGKPHF ADFNLVPDGW GGYVYPWIEA MSSSYTWLEE DATA SEQUENCE IRLKRMVVTD DCLELIAKSF KNFKVLVLSS CEGFSTDGLA AIAATCRNLK DATA SEQUENCE ELDLRESDVD DVSGHWLSHF PDTYTSLVSL NISCLASEVS FSALERLVTR DATA SEQUENCE CPNLKSLKLN RAVPLEKLAT LLQRAPQLEE LGTGGYTAEV RPDVYSGLSV DATA SEQUENCE ALSGCKELRC LSGFWDAVPA YLPAVYSVCS RLTTLNLSYA TVQSYDLVKL DATA SEQUENCE LCQCPKLQRL WVLDYIEDAG LEVLASTCKD LRELRVFPSE PFVMEPNVAL DATA SEQUENCE TEQGLVSVSM GCPKLESVLY FCRQMTNAAL ITIARNRPNM TRFRLCIIEP DATA SEQUENCE KAPDYLTLEP LDIGFGAIVE HCKDLRRLSL SGLLTDKVFE YIGTYAKKME DATA SEQUENCE MLSVAFAGDS DLGMHHVLSG CDSLRKLEIR DCPFGDKALL ANASKLETMR DATA SEQUENCE SLWMSSCSVS FGACKLLGQK MPKLNVEVID ERGAPDSRPE SCPVERVFIY DATA SEQUENCE RTVAGPRFDM PGFVWNM 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 10 P HA 0.000 nan 4.420 nan 0.000 0.216 10 P C 0.000 177.302 177.300 0.003 0.000 1.155 10 P CA 0.000 63.108 63.100 0.013 0.000 0.800 10 P CB 0.000 31.696 31.700 -0.007 0.000 0.726 11 E N -1.160 119.016 120.200 -0.041 0.000 2.763 11 E HA 0.011 4.389 4.350 0.047 0.000 0.282 11 E C 0.667 177.215 176.600 -0.087 0.000 1.124 11 E CA 0.203 56.573 56.400 -0.049 0.000 2.045 11 E CB -0.246 29.449 29.700 -0.009 0.000 2.468 11 E HN 0.243 nan 8.360 nan 0.000 1.058 12 E N 1.552 121.717 120.200 -0.059 0.000 2.442 12 E HA 0.201 4.579 4.350 0.047 0.000 0.195 12 E C 2.140 178.711 176.600 -0.049 0.000 1.030 12 E CA 0.453 56.823 56.400 -0.050 0.000 0.869 12 E CB 0.176 29.861 29.700 -0.026 0.000 0.857 12 E HN 0.134 nan 8.360 nan 0.000 0.505 13 V N 1.144 121.019 119.914 -0.065 0.000 2.287 13 V HA -0.257 3.891 4.120 0.047 0.000 0.248 13 V C 2.301 178.314 176.094 -0.137 0.000 1.053 13 V CA 1.463 63.726 62.300 -0.062 0.000 1.027 13 V CB -0.470 31.315 31.823 -0.062 0.000 0.646 13 V HN 0.245 nan 8.190 nan 0.000 0.447 14 L N -0.359 120.687 121.223 -0.294 0.000 2.042 14 L HA -0.240 4.128 4.340 0.047 0.000 0.210 14 L C 2.557 179.005 176.870 -0.704 0.000 1.076 14 L CA 2.029 56.449 54.840 -0.701 0.000 0.749 14 L CB -0.676 40.836 42.059 -0.911 0.000 0.893 14 L HN 0.381 nan 8.230 nan 0.000 0.432 15 E N -0.165 119.841 120.200 -0.323 0.000 2.108 15 E HA -0.340 4.038 4.350 0.047 0.000 0.203 15 E C 2.098 178.632 176.600 -0.111 0.000 1.022 15 E CA 2.004 58.328 56.400 -0.128 0.000 0.823 15 E CB -0.111 29.563 29.700 -0.043 0.000 0.744 15 E HN 0.484 nan 8.360 nan 0.000 0.456 16 H N -1.347 117.638 119.070 -0.141 0.000 2.395 16 H HA 0.005 4.589 4.556 0.046 0.000 0.299 16 H C 1.845 177.170 175.328 -0.005 0.000 1.070 16 H CA 1.483 57.478 56.048 -0.089 0.000 1.356 16 H CB 0.203 29.955 29.762 -0.017 0.000 1.401 16 H HN 0.076 nan 8.280 nan 0.000 0.524 17 V N 0.042 120.012 119.914 0.092 0.000 2.490 17 V HA -0.236 3.912 4.120 0.047 0.000 0.250 17 V C 1.993 178.227 176.094 0.234 0.000 1.061 17 V CA 1.656 64.063 62.300 0.178 0.000 1.064 17 V CB -0.694 31.093 31.823 -0.060 0.000 0.670 17 V HN 0.471 nan 8.190 nan 0.000 0.461 18 F N 0.992 120.907 119.950 -0.059 0.000 2.367 18 F HA -0.117 4.438 4.527 0.046 0.000 0.298 18 F C 2.726 178.438 175.800 -0.146 0.000 1.094 18 F CA 0.667 58.610 58.000 -0.096 0.000 1.409 18 F CB -0.124 38.798 39.000 -0.129 0.000 1.064 18 F HN 0.318 nan 8.300 nan 0.000 0.528 19 S N 0.332 115.958 115.700 -0.123 0.000 2.399 19 S HA -0.227 4.271 4.470 0.047 0.000 0.231 19 S C 1.423 175.779 174.600 -0.408 0.000 1.022 19 S CA 0.907 58.887 58.200 -0.367 0.000 0.983 19 S CB -1.326 61.467 63.200 -0.677 0.000 0.803 19 S HN 0.351 nan 8.310 nan 0.000 0.480 20 F N 2.038 121.966 119.950 -0.036 0.000 2.722 20 F HA 0.306 4.861 4.527 0.046 0.000 0.298 20 F C 0.621 176.422 175.800 0.002 0.000 1.175 20 F CA 0.071 58.064 58.000 -0.012 0.000 1.462 20 F CB -0.228 38.779 39.000 0.012 0.000 1.111 20 F HN 0.175 nan 8.300 nan 0.000 0.592 21 I N 0.675 121.307 120.570 0.103 0.000 2.436 21 I HA 0.239 4.437 4.170 0.047 0.000 0.289 21 I C 0.034 176.142 176.117 -0.016 0.000 1.010 21 I CA -0.345 60.993 61.300 0.064 0.000 1.098 21 I CB 1.822 39.859 38.000 0.062 0.000 1.266 21 I HN 0.056 nan 8.210 nan 0.000 0.434 22 Q N 3.062 122.848 119.800 -0.024 0.000 2.101 22 Q HA 0.276 4.644 4.340 0.047 0.000 0.236 22 Q C -0.080 175.877 176.000 -0.071 0.000 0.772 22 Q CA -0.184 55.583 55.803 -0.061 0.000 0.944 22 Q CB 1.496 30.201 28.738 -0.055 0.000 1.171 22 Q HN 0.432 nan 8.270 nan 0.000 0.463 23 L N 3.174 124.366 121.223 -0.051 0.000 2.410 23 L HA 0.036 4.404 4.340 0.047 0.000 0.273 23 L C 1.374 178.208 176.870 -0.060 0.000 1.152 23 L CA 0.775 55.581 54.840 -0.057 0.000 0.855 23 L CB 0.259 42.300 42.059 -0.031 0.000 1.129 23 L HN 0.075 nan 8.230 nan 0.000 0.463 24 D N 2.504 122.865 120.400 -0.066 0.000 2.106 24 D HA -0.229 4.439 4.640 0.047 0.000 0.191 24 D C 1.800 178.099 176.300 -0.003 0.000 0.997 24 D CA 1.467 55.445 54.000 -0.037 0.000 0.834 24 D CB 0.314 41.117 40.800 0.004 0.000 0.956 24 D HN 0.383 nan 8.370 nan 0.000 0.448 25 K N 0.694 121.100 120.400 0.010 0.000 2.077 25 K HA -0.168 4.180 4.320 0.047 0.000 0.213 25 K C 1.532 178.149 176.600 0.028 0.000 1.051 25 K CA 1.524 57.829 56.287 0.029 0.000 0.929 25 K CB -0.158 32.358 32.500 0.027 0.000 0.715 25 K HN 0.085 nan 8.250 nan 0.000 0.451 26 D N -0.900 119.507 120.400 0.013 0.000 2.194 26 D HA -0.058 4.610 4.640 0.047 0.000 0.204 26 D C 1.944 178.239 176.300 -0.008 0.000 0.964 26 D CA 0.550 54.562 54.000 0.019 0.000 0.846 26 D CB 0.069 40.882 40.800 0.021 0.000 0.962 26 D HN 0.116 nan 8.370 nan 0.000 0.490 27 R N 0.736 121.208 120.500 -0.046 0.000 2.075 27 R HA -0.030 4.338 4.340 0.047 0.000 0.232 27 R C 1.721 178.002 176.300 -0.031 0.000 1.126 27 R CA 0.686 56.725 56.100 -0.100 0.000 0.963 27 R CB -0.312 29.905 30.300 -0.138 0.000 0.858 27 R HN 0.178 nan 8.270 nan 0.000 0.435 28 N N 0.214 118.930 118.700 0.027 0.000 2.188 28 N HA -0.104 4.664 4.740 0.047 0.000 0.184 28 N C 1.732 177.300 175.510 0.097 0.000 1.018 28 N CA 1.058 54.160 53.050 0.087 0.000 0.858 28 N CB -0.374 38.171 38.487 0.096 0.000 0.989 28 N HN 0.036 nan 8.380 nan 0.000 0.426 29 S N 0.442 116.189 115.700 0.078 0.000 2.348 29 S HA -0.110 4.388 4.470 0.047 0.000 0.221 29 S C 2.112 176.788 174.600 0.128 0.000 1.033 29 S CA 1.544 59.799 58.200 0.093 0.000 1.010 29 S CB -0.484 62.766 63.200 0.084 0.000 0.891 29 S HN 0.247 nan 8.310 nan 0.000 0.442 30 V N 1.852 121.837 119.914 0.118 0.000 2.594 30 V HA -0.051 4.097 4.120 0.047 0.000 0.253 30 V C 2.162 178.413 176.094 0.261 0.000 1.069 30 V CA 2.441 64.879 62.300 0.230 0.000 1.082 30 V CB -1.259 30.608 31.823 0.073 0.000 0.680 30 V HN 0.704 nan 8.190 nan 0.000 0.469 31 S N -0.388 115.410 115.700 0.163 0.000 2.547 31 S HA 0.072 4.570 4.470 0.047 0.000 0.235 31 S C 1.442 176.230 174.600 0.313 0.000 0.980 31 S CA 1.368 59.713 58.200 0.243 0.000 0.941 31 S CB -0.581 62.743 63.200 0.206 0.000 0.763 31 S HN 0.625 nan 8.310 nan 0.000 0.532 32 L N 1.568 122.922 121.223 0.218 0.000 3.110 32 L HA 0.410 4.778 4.340 0.047 0.000 0.266 32 L C 0.909 177.826 176.870 0.078 0.000 1.257 32 L CA -0.013 54.917 54.840 0.149 0.000 1.038 32 L CB 1.305 43.432 42.059 0.114 0.000 1.395 32 L HN 0.373 nan 8.230 nan 0.000 0.566 33 V N -1.965 117.988 119.914 0.065 0.000 3.380 33 V HA 0.305 4.453 4.120 0.047 0.000 0.307 33 V C -0.134 175.818 176.094 -0.236 0.000 1.434 33 V CA 0.130 62.356 62.300 -0.124 0.000 1.075 33 V CB 0.517 32.186 31.823 -0.256 0.000 0.954 33 V HN 0.524 nan 8.190 nan 0.000 0.444 34 C N -0.687 118.575 119.300 -0.064 0.000 2.448 34 C HA 0.163 4.650 4.460 0.047 0.000 0.329 34 C C 0.770 175.845 174.990 0.142 0.000 1.088 34 C CA -0.083 58.909 59.018 -0.043 0.000 0.997 34 C CB 0.205 27.794 27.740 -0.252 0.000 1.315 34 C HN 0.611 nan 8.230 nan 0.000 0.580 35 K N 2.293 122.770 120.400 0.128 0.000 2.211 35 K HA -0.033 4.315 4.320 0.047 0.000 0.203 35 K C 2.030 178.812 176.600 0.303 0.000 1.050 35 K CA 2.147 58.539 56.287 0.175 0.000 0.945 35 K CB -0.045 32.512 32.500 0.096 0.000 0.732 35 K HN 0.675 nan 8.250 nan 0.000 0.451 36 S N -0.516 115.378 115.700 0.323 0.000 2.371 36 S HA -0.098 4.400 4.470 0.047 0.000 0.224 36 S C 1.275 176.202 174.600 0.546 0.000 1.029 36 S CA 0.980 59.417 58.200 0.395 0.000 0.978 36 S CB -0.226 63.209 63.200 0.390 0.000 0.833 36 S HN 0.447 nan 8.310 nan 0.000 0.466 37 W N 1.044 122.502 121.300 0.263 0.000 2.358 37 W HA -0.030 4.657 4.660 0.047 0.000 0.303 37 W C 2.165 178.860 176.519 0.293 0.000 1.208 37 W CA 0.428 57.977 57.345 0.340 0.000 1.274 37 W CB -1.552 28.104 29.460 0.327 0.000 1.138 37 W HN 0.489 nan 8.180 nan 0.000 0.515 38 Y N 1.482 122.011 120.300 0.381 0.000 2.241 38 Y HA -0.291 4.287 4.550 0.047 0.000 0.286 38 Y C 2.180 178.220 175.900 0.234 0.000 1.166 38 Y CA 2.288 60.532 58.100 0.240 0.000 1.203 38 Y CB -0.129 38.430 38.460 0.164 0.000 0.977 38 Y HN -0.113 nan 8.280 nan 0.000 0.529 39 E N 0.055 120.483 120.200 0.380 0.000 2.057 39 E HA -0.059 4.319 4.350 0.047 0.000 0.190 39 E C 2.331 179.165 176.600 0.390 0.000 0.969 39 E CA 1.068 57.685 56.400 0.361 0.000 0.812 39 E CB -0.369 29.575 29.700 0.406 0.000 0.777 39 E HN 0.555 nan 8.360 nan 0.000 0.455 40 I N 1.797 122.579 120.570 0.352 0.000 2.118 40 I HA -0.300 3.898 4.170 0.047 0.000 0.241 40 I C 2.650 178.978 176.117 0.350 0.000 1.070 40 I CA 1.340 62.842 61.300 0.336 0.000 1.327 40 I CB -0.279 37.874 38.000 0.255 0.000 1.034 40 I HN 0.111 nan 8.210 nan 0.000 0.405 41 E N 1.636 121.995 120.200 0.266 0.000 2.045 41 E HA -0.311 4.067 4.350 0.047 0.000 0.212 41 E C 2.301 178.952 176.600 0.085 0.000 1.039 41 E CA 2.392 58.818 56.400 0.044 0.000 0.860 41 E CB -0.282 29.340 29.700 -0.130 0.000 0.776 41 E HN 0.532 nan 8.360 nan 0.000 0.467 42 R N -0.785 119.718 120.500 0.004 0.000 2.170 42 R HA -0.158 4.209 4.340 0.047 0.000 0.242 42 R C 2.251 178.531 176.300 -0.033 0.000 1.145 42 R CA 1.701 57.808 56.100 0.012 0.000 0.984 42 R CB -0.963 29.025 30.300 -0.520 0.000 0.869 42 R HN 0.259 nan 8.270 nan 0.000 0.455 43 W N 1.034 122.400 121.300 0.109 0.000 2.518 43 W HA -0.036 4.651 4.660 0.046 0.000 0.273 43 W C 1.739 178.316 176.519 0.096 0.000 1.247 43 W CA 0.675 58.085 57.345 0.108 0.000 1.288 43 W CB 0.155 29.668 29.460 0.089 0.000 1.107 43 W HN 0.392 nan 8.180 nan 0.000 0.586 44 C N -0.598 118.848 119.300 0.243 0.000 2.976 44 C HA 0.480 4.968 4.460 0.047 0.000 0.274 44 C C 0.570 175.575 174.990 0.025 0.000 1.487 44 C CA -0.800 58.304 59.018 0.142 0.000 1.789 44 C CB -1.495 26.336 27.740 0.151 0.000 2.771 44 C HN 0.065 nan 8.230 nan 0.000 0.551 45 R N 1.328 121.819 120.500 -0.015 0.000 2.234 45 R HA 0.388 4.756 4.340 0.047 0.000 0.324 45 R C 1.203 177.404 176.300 -0.164 0.000 1.054 45 R CA -0.245 55.761 56.100 -0.158 0.000 0.912 45 R CB 0.424 30.512 30.300 -0.354 0.000 1.030 45 R HN 0.578 nan 8.270 nan 0.000 0.455 46 R N 2.488 122.884 120.500 -0.174 0.000 2.105 46 R HA 0.031 4.399 4.340 0.047 0.000 0.214 46 R C -0.166 176.021 176.300 -0.188 0.000 1.091 46 R CA 0.958 56.965 56.100 -0.155 0.000 1.007 46 R CB 0.309 30.528 30.300 -0.136 0.000 0.912 46 R HN 0.544 nan 8.270 nan 0.000 0.450 47 K N 0.170 120.448 120.400 -0.203 0.000 2.316 47 K HA 0.398 4.746 4.320 0.047 0.000 0.251 47 K C -0.766 175.700 176.600 -0.223 0.000 0.934 47 K CA -0.971 55.202 56.287 -0.190 0.000 0.802 47 K CB 2.369 34.789 32.500 -0.134 0.000 1.171 47 K HN -0.099 nan 8.250 nan 0.000 0.426 48 V N -0.138 119.678 119.914 -0.164 0.000 2.513 48 V HA 0.598 4.746 4.120 0.047 0.000 0.299 48 V C -0.999 175.111 176.094 0.027 0.000 1.035 48 V CA -0.856 61.377 62.300 -0.112 0.000 0.889 48 V CB 0.939 32.723 31.823 -0.065 0.000 0.988 48 V HN 0.796 nan 8.190 nan 0.000 0.440 49 F N 5.744 125.629 119.950 -0.107 0.000 2.361 49 F HA 0.697 5.252 4.527 0.047 0.000 0.364 49 F C -0.270 175.495 175.800 -0.059 0.000 1.120 49 F CA -1.526 56.425 58.000 -0.082 0.000 1.102 49 F CB 0.905 39.866 39.000 -0.065 0.000 1.183 49 F HN 0.502 nan 8.300 nan 0.000 0.476 50 I N 6.503 126.757 120.570 -0.527 0.000 2.412 50 I HA 0.211 4.409 4.170 0.047 0.000 0.279 50 I C 1.328 176.977 176.117 -0.780 0.000 1.063 50 I CA -0.339 60.623 61.300 -0.564 0.000 1.193 50 I CB 1.198 38.959 38.000 -0.397 0.000 1.370 50 I HN 0.874 nan 8.210 nan 0.000 0.479 51 G N 4.213 112.402 108.800 -1.019 0.000 2.564 51 G HA2 -0.201 3.787 3.960 0.047 0.000 0.216 51 G HA3 -0.201 3.787 3.960 0.047 0.000 0.216 51 G C 0.615 175.334 174.900 -0.301 0.000 1.124 51 G CA 0.585 45.250 45.100 -0.725 0.000 0.764 51 G HN 0.548 nan 8.290 nan 0.000 0.550 52 N N -1.147 117.406 118.700 -0.245 0.000 2.752 52 N HA -0.016 4.752 4.740 0.047 0.000 0.268 52 N C 0.982 176.414 175.510 -0.130 0.000 1.190 52 N CA -0.130 52.847 53.050 -0.121 0.000 0.897 52 N CB 0.229 38.693 38.487 -0.038 0.000 1.515 52 N HN 0.006 nan 8.380 nan 0.000 0.567 53 C N 2.121 121.288 119.300 -0.222 0.000 2.419 53 C HA 0.062 4.550 4.460 0.047 0.000 0.283 53 C C 1.521 176.522 174.990 0.018 0.000 1.373 53 C CA 0.298 59.175 59.018 -0.235 0.000 1.781 53 C CB -1.779 25.709 27.740 -0.419 0.000 1.886 53 C HN 0.702 nan 8.230 nan 0.000 0.520 54 Y N 0.589 120.992 120.300 0.172 0.000 2.457 54 Y HA 0.413 4.991 4.550 0.047 0.000 0.263 54 Y C 2.437 178.504 175.900 0.279 0.000 1.164 54 Y CA 0.209 58.447 58.100 0.231 0.000 1.274 54 Y CB -0.054 38.518 38.460 0.187 0.000 1.097 54 Y HN 0.316 nan 8.280 nan 0.000 0.523 55 A N -0.190 122.830 122.820 0.332 0.000 2.238 55 A HA 0.370 4.718 4.320 0.047 0.000 0.208 55 A C 0.383 178.117 177.584 0.249 0.000 1.177 55 A CA 0.542 52.754 52.037 0.292 0.000 0.804 55 A CB 0.056 19.178 19.000 0.204 0.000 0.823 55 A HN 0.166 nan 8.150 nan 0.000 0.482 56 V N -1.224 118.862 119.914 0.287 0.000 3.307 56 V HA 0.518 4.666 4.120 0.047 0.000 0.283 56 V C -1.247 174.993 176.094 0.244 0.000 1.618 56 V CA -0.042 62.402 62.300 0.240 0.000 1.052 56 V CB 2.095 34.063 31.823 0.241 0.000 1.200 56 V HN 0.620 nan 8.190 nan 0.000 0.468 57 S N 2.795 118.555 115.700 0.101 0.000 2.607 57 S HA 0.743 5.241 4.470 0.047 0.000 0.303 57 S C -2.297 172.065 174.600 -0.396 0.000 1.086 57 S CA -1.159 56.966 58.200 -0.125 0.000 0.995 57 S CB 1.846 64.998 63.200 -0.081 0.000 1.084 57 S HN 0.572 nan 8.310 nan 0.000 0.507 58 P HA -0.218 nan 4.420 nan 0.000 0.214 58 P C 1.651 178.750 177.300 -0.334 0.000 1.172 58 P CA 2.612 65.179 63.100 -0.888 0.000 0.925 58 P CB -0.313 30.872 31.700 -0.857 0.000 0.793 59 A N -1.578 121.080 122.820 -0.269 0.000 1.978 59 A HA -0.195 4.153 4.320 0.047 0.000 0.220 59 A C 2.236 179.754 177.584 -0.110 0.000 1.170 59 A CA 2.421 54.355 52.037 -0.172 0.000 0.636 59 A CB -1.831 17.083 19.000 -0.144 0.000 0.810 59 A HN 0.211 nan 8.150 nan 0.000 0.448 60 T N -0.540 113.967 114.554 -0.079 0.000 2.777 60 T HA -0.087 4.291 4.350 0.047 0.000 0.266 60 T C 1.906 176.598 174.700 -0.013 0.000 1.040 60 T CA 1.480 63.561 62.100 -0.032 0.000 1.141 60 T CB -0.365 68.510 68.868 0.013 0.000 0.868 60 T HN 0.176 nan 8.240 nan 0.000 0.444 61 V N 1.557 121.506 119.914 0.059 0.000 2.237 61 V HA -0.134 4.014 4.120 0.047 0.000 0.245 61 V C 2.379 178.555 176.094 0.136 0.000 1.046 61 V CA 1.576 63.994 62.300 0.198 0.000 1.007 61 V CB -0.631 31.434 31.823 0.404 0.000 0.638 61 V HN 0.456 nan 8.190 nan 0.000 0.445 62 I N 0.040 120.616 120.570 0.011 0.000 2.502 62 I HA -0.267 3.931 4.170 0.047 0.000 0.258 62 I C 2.631 178.684 176.117 -0.106 0.000 1.172 62 I CA 1.885 63.096 61.300 -0.148 0.000 1.430 62 I CB -0.349 37.431 38.000 -0.367 0.000 1.086 62 I HN 0.330 nan 8.210 nan 0.000 0.440 63 R N 0.932 121.370 120.500 -0.104 0.000 2.123 63 R HA 0.058 4.425 4.340 0.047 0.000 0.209 63 R C 1.718 177.897 176.300 -0.202 0.000 1.078 63 R CA -0.099 55.925 56.100 -0.126 0.000 1.028 63 R CB 0.060 30.306 30.300 -0.090 0.000 0.939 63 R HN 0.137 nan 8.270 nan 0.000 0.463 64 R N 0.224 120.561 120.500 -0.271 0.000 2.896 64 R HA -0.027 4.341 4.340 0.047 0.000 0.283 64 R C -0.422 175.567 176.300 -0.518 0.000 1.201 64 R CA 0.613 56.366 56.100 -0.577 0.000 1.178 64 R CB 0.025 29.772 30.300 -0.923 0.000 1.152 64 R HN 0.259 nan 8.270 nan 0.000 0.590 65 F N -1.514 118.270 119.950 -0.277 0.000 2.866 65 F HA -0.164 4.391 4.527 0.047 0.000 0.254 65 F C -1.777 173.996 175.800 -0.046 0.000 1.009 65 F CA -0.601 57.297 58.000 -0.171 0.000 0.907 65 F CB -0.649 38.327 39.000 -0.040 0.000 0.859 65 F HN 0.548 nan 8.300 nan 0.000 0.842 66 P HA -0.002 nan 4.420 nan 0.000 0.257 66 P C 0.400 177.886 177.300 0.309 0.000 1.241 66 P CA 0.726 63.889 63.100 0.106 0.000 0.816 66 P CB 0.418 31.997 31.700 -0.202 0.000 1.150 67 K N 0.167 120.678 120.400 0.185 0.000 2.965 67 K HA 0.275 4.622 4.320 0.047 0.000 0.216 67 K C -0.487 176.125 176.600 0.019 0.000 1.164 67 K CA -0.312 56.096 56.287 0.201 0.000 1.153 67 K CB 0.509 33.170 32.500 0.267 0.000 1.045 67 K HN -0.074 nan 8.250 nan 0.000 0.460 68 V N 1.021 120.805 119.914 -0.217 0.000 2.498 68 V HA 0.127 4.275 4.120 0.047 0.000 0.279 68 V C 0.982 176.800 176.094 -0.461 0.000 1.048 68 V CA -0.078 61.950 62.300 -0.452 0.000 0.967 68 V CB 1.430 32.872 31.823 -0.634 0.000 0.988 68 V HN 0.340 nan 8.190 nan 0.000 0.473 69 R N 2.116 122.460 120.500 -0.261 0.000 2.254 69 R HA 0.249 4.616 4.340 0.047 0.000 0.193 69 R C 0.536 176.727 176.300 -0.182 0.000 0.929 69 R CA 0.349 56.346 56.100 -0.172 0.000 1.038 69 R CB 0.523 30.761 30.300 -0.103 0.000 1.009 69 R HN 0.621 nan 8.270 nan 0.000 0.512 70 S N -0.385 115.195 115.700 -0.201 0.000 2.571 70 S HA 0.601 5.099 4.470 0.047 0.000 0.284 70 S C -1.499 173.019 174.600 -0.136 0.000 1.128 70 S CA -0.637 57.475 58.200 -0.147 0.000 0.970 70 S CB 1.423 64.553 63.200 -0.117 0.000 1.039 70 S HN -0.128 nan 8.310 nan 0.000 0.485 71 V N 4.483 124.338 119.914 -0.098 0.000 2.483 71 V HA 0.512 4.660 4.120 0.047 0.000 0.297 71 V C -0.270 175.786 176.094 -0.063 0.000 1.027 71 V CA -0.648 61.606 62.300 -0.076 0.000 0.855 71 V CB 1.568 33.360 31.823 -0.051 0.000 0.995 71 V HN 0.901 nan 8.190 nan 0.000 0.424 72 E N 4.675 124.850 120.200 -0.042 0.000 2.151 72 E HA 0.709 5.087 4.350 0.047 0.000 0.275 72 E C -1.638 174.870 176.600 -0.153 0.000 0.936 72 E CA -0.570 55.815 56.400 -0.026 0.000 0.777 72 E CB 1.551 31.336 29.700 0.141 0.000 1.108 72 E HN 0.594 nan 8.360 nan 0.000 0.401 73 L N 4.594 125.687 121.223 -0.217 0.000 2.409 73 L HA 0.452 4.820 4.340 0.047 0.000 0.272 73 L C -0.811 175.897 176.870 -0.271 0.000 0.980 73 L CA -0.727 53.894 54.840 -0.366 0.000 0.826 73 L CB 1.877 43.606 42.059 -0.551 0.000 1.268 73 L HN 0.412 nan 8.230 nan 0.000 0.407 74 K N 1.820 122.055 120.400 -0.276 0.000 2.206 74 K HA 0.553 4.900 4.320 0.047 0.000 0.264 74 K C 0.425 176.925 176.600 -0.167 0.000 0.967 74 K CA -0.581 55.602 56.287 -0.173 0.000 0.844 74 K CB 2.419 34.850 32.500 -0.115 0.000 1.099 74 K HN 0.672 nan 8.250 nan 0.000 0.441 75 G N 2.847 111.579 108.800 -0.113 0.000 2.672 75 G HA2 -0.018 3.970 3.960 0.047 0.000 0.200 75 G HA3 -0.018 3.970 3.960 0.047 0.000 0.200 75 G C -0.239 174.675 174.900 0.023 0.000 1.819 75 G CA -0.258 44.821 45.100 -0.035 0.000 0.902 75 G HN 0.463 nan 8.290 nan 0.000 0.512 76 K N 2.008 122.379 120.400 -0.048 0.000 2.469 76 K HA 0.151 4.499 4.320 0.047 0.000 0.274 76 K C -2.231 174.132 176.600 -0.395 0.000 0.983 76 K CA -0.988 55.081 56.287 -0.363 0.000 0.974 76 K CB 0.332 32.607 32.500 -0.376 0.000 0.913 76 K HN 0.199 nan 8.250 nan 0.000 0.493 77 P HA -0.115 nan 4.420 nan 0.000 0.269 77 P C 0.504 177.574 177.300 -0.383 0.000 1.215 77 P CA 0.281 63.069 63.100 -0.520 0.000 0.780 77 P CB 0.435 31.608 31.700 -0.878 0.000 0.898 78 H N 1.705 120.595 119.070 -0.300 0.000 2.312 78 H HA -0.234 4.350 4.556 0.047 0.000 0.285 78 H C 0.852 176.005 175.328 -0.291 0.000 1.120 78 H CA 1.608 57.518 56.048 -0.230 0.000 1.179 78 H CB -0.125 29.592 29.762 -0.075 0.000 1.349 78 H HN 0.235 nan 8.280 nan 0.000 0.473 79 F N 0.671 120.099 119.950 -0.870 0.000 2.722 79 F HA 0.033 4.588 4.527 0.046 0.000 0.298 79 F C 2.449 177.774 175.800 -0.792 0.000 1.175 79 F CA 0.542 58.007 58.000 -0.891 0.000 1.462 79 F CB -1.037 37.383 39.000 -0.966 0.000 1.111 79 F HN 0.283 nan 8.300 nan 0.000 0.592 80 A N -0.145 122.339 122.820 -0.560 0.000 1.972 80 A HA -0.178 4.170 4.320 0.047 0.000 0.219 80 A C 1.943 179.308 177.584 -0.366 0.000 1.169 80 A CA 1.706 53.487 52.037 -0.427 0.000 0.635 80 A CB -0.527 18.241 19.000 -0.387 0.000 0.810 80 A HN 0.209 nan 8.150 nan 0.000 0.446 81 D N -0.787 119.311 120.400 -0.505 0.000 2.351 81 D HA -0.080 4.588 4.640 0.047 0.000 0.216 81 D C 0.352 176.313 176.300 -0.565 0.000 0.968 81 D CA 0.807 54.491 54.000 -0.526 0.000 0.899 81 D CB -0.292 40.142 40.800 -0.610 0.000 0.907 81 D HN 0.514 nan 8.370 nan 0.000 0.514 82 F N -0.048 119.771 119.950 -0.219 0.000 2.639 82 F HA 0.198 4.753 4.527 0.046 0.000 0.300 82 F C 0.454 176.164 175.800 -0.151 0.000 1.109 82 F CA -0.924 56.945 58.000 -0.219 0.000 1.335 82 F CB -0.886 37.874 39.000 -0.399 0.000 1.014 82 F HN -0.261 nan 8.300 nan 0.000 0.537 83 N N 0.596 119.278 118.700 -0.031 0.000 2.735 83 N HA -0.211 4.557 4.740 0.047 0.000 0.248 83 N C 0.383 175.895 175.510 0.004 0.000 1.083 83 N CA 0.456 53.495 53.050 -0.019 0.000 0.703 83 N CB -1.321 37.175 38.487 0.016 0.000 1.005 83 N HN 0.355 nan 8.380 nan 0.000 0.550 84 L N -1.488 119.720 121.223 -0.025 0.000 2.693 84 L HA 0.268 4.636 4.340 0.047 0.000 0.235 84 L C -0.160 176.785 176.870 0.125 0.000 1.127 84 L CA 0.056 54.945 54.840 0.082 0.000 0.914 84 L CB 0.601 42.737 42.059 0.129 0.000 1.193 84 L HN -0.049 nan 8.230 nan 0.000 0.502 85 V N 1.516 121.415 119.914 -0.025 0.000 2.409 85 V HA 0.367 4.515 4.120 0.047 0.000 0.290 85 V C -2.024 174.112 176.094 0.070 0.000 1.017 85 V CA -1.290 61.015 62.300 0.008 0.000 0.841 85 V CB 1.659 33.297 31.823 -0.309 0.000 1.003 85 V HN 0.016 nan 8.190 nan 0.000 0.426 86 P HA 0.350 nan 4.420 nan 0.000 0.276 86 P C -0.798 176.610 177.300 0.180 0.000 1.261 86 P CA -0.589 62.541 63.100 0.050 0.000 0.800 86 P CB 0.705 32.292 31.700 -0.189 0.000 1.066 87 D N -0.723 119.749 120.400 0.120 0.000 2.458 87 D HA 0.361 5.028 4.640 0.047 0.000 0.243 87 D C 1.484 178.002 176.300 0.365 0.000 1.146 87 D CA 1.590 55.708 54.000 0.197 0.000 0.877 87 D CB -0.166 40.707 40.800 0.122 0.000 1.176 87 D HN 0.706 nan 8.370 nan 0.000 0.461 88 G N 1.895 110.924 108.800 0.381 0.000 2.238 88 G HA2 -0.317 3.671 3.960 0.047 0.000 0.217 88 G HA3 -0.317 3.671 3.960 0.047 0.000 0.217 88 G C 1.099 176.237 174.900 0.396 0.000 0.996 88 G CA 0.204 45.549 45.100 0.409 0.000 0.632 88 G HN 0.582 nan 8.290 nan 0.000 0.503 89 W N 1.525 123.020 121.300 0.325 0.000 2.255 89 W HA 0.144 4.833 4.660 0.047 0.000 0.318 89 W C 1.540 178.121 176.519 0.104 0.000 1.277 89 W CA 4.510 61.971 57.345 0.194 0.000 1.286 89 W CB -0.099 29.510 29.460 0.249 0.000 1.132 89 W HN 1.482 nan 8.180 nan 0.000 0.504 90 G N -4.018 104.865 108.800 0.139 0.000 2.340 90 G HA2 0.408 4.396 3.960 0.047 0.000 0.282 90 G HA3 0.408 4.396 3.960 0.047 0.000 0.282 90 G C 0.365 175.299 174.900 0.057 0.000 1.312 90 G CA 0.317 45.349 45.100 -0.114 0.000 0.942 90 G HN 1.130 nan 8.290 nan 0.000 0.495 91 G N -1.906 106.983 108.800 0.150 0.000 2.176 91 G HA2 -0.112 3.876 3.960 0.047 0.000 0.232 91 G HA3 -0.112 3.876 3.960 0.047 0.000 0.232 91 G C 0.480 175.323 174.900 -0.093 0.000 0.986 91 G CA 0.609 45.731 45.100 0.037 0.000 0.643 91 G HN 1.530 nan 8.290 nan 0.000 0.522 92 Y N -0.520 119.919 120.300 0.232 0.000 2.810 92 Y HA 0.233 4.811 4.550 0.047 0.000 0.332 92 Y C 1.632 177.678 175.900 0.243 0.000 1.243 92 Y CA 0.909 59.141 58.100 0.220 0.000 1.537 92 Y CB 1.212 39.803 38.460 0.218 0.000 1.265 92 Y HN 0.048 nan 8.280 nan 0.000 0.572 93 V N 4.786 124.913 119.914 0.356 0.000 3.471 93 V HA -0.144 4.003 4.120 0.047 0.000 0.258 93 V C 1.609 177.934 176.094 0.385 0.000 1.192 93 V CA 0.587 63.075 62.300 0.314 0.000 1.116 93 V CB -0.696 31.219 31.823 0.153 0.000 0.792 93 V HN 0.926 nan 8.190 nan 0.000 0.459 94 Y N 2.661 123.112 120.300 0.253 0.000 2.062 94 Y HA -0.207 4.371 4.550 0.046 0.000 0.276 94 Y C -0.197 175.791 175.900 0.147 0.000 1.189 94 Y CA 3.042 61.244 58.100 0.169 0.000 1.130 94 Y CB -1.676 36.850 38.460 0.111 0.000 0.959 94 Y HN 0.330 nan 8.280 nan 0.000 0.499 95 P HA -0.216 nan 4.420 nan 0.000 0.218 95 P C 0.812 178.009 177.300 -0.171 0.000 1.146 95 P CA 2.465 65.528 63.100 -0.063 0.000 0.820 95 P CB -0.325 31.346 31.700 -0.048 0.000 0.778 96 W N -1.306 119.959 121.300 -0.058 0.000 2.443 96 W HA -0.052 4.637 4.660 0.047 0.000 0.296 96 W C 2.154 178.634 176.519 -0.065 0.000 1.202 96 W CA 0.227 57.548 57.345 -0.040 0.000 1.312 96 W CB -0.808 28.650 29.460 -0.004 0.000 1.120 96 W HN -0.172 nan 8.180 nan 0.000 0.536 97 I N 0.618 121.251 120.570 0.105 0.000 2.090 97 I HA -0.292 3.906 4.170 0.047 0.000 0.236 97 I C 2.271 178.311 176.117 -0.128 0.000 1.064 97 I CA 1.844 63.156 61.300 0.020 0.000 1.324 97 I CB -1.790 36.158 38.000 -0.087 0.000 1.044 97 I HN 0.160 nan 8.210 nan 0.000 0.399 98 E N 0.889 120.815 120.200 -0.458 0.000 2.086 98 E HA -0.281 4.097 4.350 0.047 0.000 0.200 98 E C 2.218 178.691 176.600 -0.210 0.000 1.012 98 E CA 1.926 58.084 56.400 -0.404 0.000 0.812 98 E CB 0.010 29.372 29.700 -0.564 0.000 0.743 98 E HN 0.448 nan 8.360 nan 0.000 0.453 99 A N 1.018 123.723 122.820 -0.192 0.000 1.834 99 A HA -0.238 4.110 4.320 0.047 0.000 0.216 99 A C 2.273 179.780 177.584 -0.128 0.000 1.203 99 A CA 2.231 54.162 52.037 -0.177 0.000 0.621 99 A CB -0.767 18.090 19.000 -0.239 0.000 0.841 99 A HN 0.359 nan 8.150 nan 0.000 0.446 100 M N 0.695 120.279 119.600 -0.027 0.000 2.267 100 M HA -0.161 4.347 4.480 0.047 0.000 0.263 100 M C 2.289 178.752 176.300 0.272 0.000 1.063 100 M CA 1.577 56.922 55.300 0.075 0.000 1.090 100 M CB -0.545 32.289 32.600 0.389 0.000 1.392 100 M HN 0.674 nan 8.290 nan 0.000 0.422 101 S N 0.102 115.908 115.700 0.177 0.000 2.444 101 S HA -0.174 4.324 4.470 0.047 0.000 0.244 101 S C 1.585 176.122 174.600 -0.105 0.000 1.025 101 S CA 1.797 59.962 58.200 -0.060 0.000 0.995 101 S CB -0.457 62.625 63.200 -0.197 0.000 0.781 101 S HN 0.614 nan 8.310 nan 0.000 0.496 102 S N -2.084 113.588 115.700 -0.046 0.000 2.787 102 S HA 0.401 4.899 4.470 0.047 0.000 0.255 102 S C 1.239 175.815 174.600 -0.039 0.000 1.051 102 S CA 0.094 58.256 58.200 -0.063 0.000 1.124 102 S CB 0.183 63.331 63.200 -0.087 0.000 1.104 102 S HN 0.309 nan 8.310 nan 0.000 0.623 103 S N 0.207 115.878 115.700 -0.048 0.000 2.497 103 S HA 0.367 4.865 4.470 0.047 0.000 0.221 103 S C -0.034 174.638 174.600 0.119 0.000 1.037 103 S CA -0.131 58.018 58.200 -0.084 0.000 0.920 103 S CB -0.116 62.874 63.200 -0.350 0.000 0.800 103 S HN 0.667 nan 8.310 nan 0.000 0.505 104 Y N 1.817 122.219 120.300 0.170 0.000 2.724 104 Y HA 0.166 4.744 4.550 0.047 0.000 0.370 104 Y C 1.715 177.802 175.900 0.312 0.000 0.978 104 Y CA -0.734 57.492 58.100 0.208 0.000 1.443 104 Y CB 0.066 38.619 38.460 0.155 0.000 1.386 104 Y HN 0.103 nan 8.280 nan 0.000 0.557 105 T N 0.146 114.883 114.554 0.305 0.000 2.602 105 T HA -0.278 4.100 4.350 0.047 0.000 0.264 105 T C 1.054 175.868 174.700 0.190 0.000 1.085 105 T CA 1.827 63.987 62.100 0.100 0.000 1.164 105 T CB -0.119 68.615 68.868 -0.224 0.000 0.860 105 T HN 0.559 nan 8.240 nan 0.000 0.442 106 W N 1.806 123.231 121.300 0.208 0.000 3.468 106 W HA 0.405 5.093 4.660 0.047 0.000 0.352 106 W C 0.040 176.607 176.519 0.080 0.000 1.212 106 W CA -1.159 56.270 57.345 0.140 0.000 1.770 106 W CB -1.552 27.964 29.460 0.093 0.000 1.005 106 W HN 0.187 nan 8.180 nan 0.000 0.766 107 L N 0.647 122.025 121.223 0.258 0.000 2.367 107 L HA 0.104 4.471 4.340 0.047 0.000 0.275 107 L C 1.109 178.033 176.870 0.089 0.000 1.129 107 L CA 0.891 55.704 54.840 -0.044 0.000 0.839 107 L CB 0.873 42.589 42.059 -0.571 0.000 1.133 107 L HN -0.015 nan 8.230 nan 0.000 0.453 108 E N 2.185 122.413 120.200 0.047 0.000 2.152 108 E HA 0.142 4.520 4.350 0.047 0.000 0.195 108 E C -0.430 176.130 176.600 -0.066 0.000 0.934 108 E CA 0.320 56.746 56.400 0.043 0.000 0.869 108 E CB 0.371 30.051 29.700 -0.034 0.000 0.842 108 E HN 0.690 nan 8.360 nan 0.000 0.472 109 E N 0.751 120.933 120.200 -0.030 0.000 2.227 109 E HA 0.517 4.895 4.350 0.047 0.000 0.268 109 E C -0.801 175.859 176.600 0.100 0.000 0.907 109 E CA -0.382 55.996 56.400 -0.037 0.000 0.786 109 E CB 2.652 32.300 29.700 -0.085 0.000 1.191 109 E HN 0.003 nan 8.360 nan 0.000 0.411 110 I N 2.507 123.182 120.570 0.175 0.000 2.468 110 I HA 0.312 4.510 4.170 0.047 0.000 0.284 110 I C -0.885 175.261 176.117 0.048 0.000 1.038 110 I CA -0.853 60.499 61.300 0.088 0.000 1.083 110 I CB 1.381 39.451 38.000 0.116 0.000 1.223 110 I HN 0.249 nan 8.210 nan 0.000 0.443 111 R N 6.603 127.104 120.500 0.001 0.000 2.265 111 R HA 0.657 5.025 4.340 0.047 0.000 0.328 111 R C -1.091 175.194 176.300 -0.025 0.000 0.969 111 R CA -0.284 55.815 56.100 -0.002 0.000 0.832 111 R CB 0.982 31.284 30.300 0.004 0.000 1.139 111 R HN 0.508 nan 8.270 nan 0.000 0.457 112 L N 2.307 123.515 121.223 -0.026 0.000 2.329 112 L HA 0.570 4.938 4.340 0.047 0.000 0.279 112 L C -0.053 176.800 176.870 -0.028 0.000 1.014 112 L CA -0.819 53.989 54.840 -0.053 0.000 0.814 112 L CB 1.844 43.873 42.059 -0.049 0.000 1.257 112 L HN 0.424 nan 8.230 nan 0.000 0.424 113 K N 3.067 123.441 120.400 -0.043 0.000 2.324 113 K HA 0.460 4.808 4.320 0.047 0.000 0.253 113 K C -0.598 175.980 176.600 -0.036 0.000 0.932 113 K CA -0.767 55.507 56.287 -0.021 0.000 0.799 113 K CB 1.194 33.692 32.500 -0.004 0.000 1.154 113 K HN 0.496 nan 8.250 nan 0.000 0.425 114 R N 3.207 123.695 120.500 -0.020 0.000 2.711 114 R HA -0.220 4.148 4.340 0.047 0.000 0.253 114 R C -0.577 175.712 176.300 -0.019 0.000 0.879 114 R CA 0.766 56.851 56.100 -0.025 0.000 0.686 114 R CB -1.585 28.678 30.300 -0.063 0.000 1.618 114 R HN 0.534 nan 8.270 nan 0.000 0.525 115 M N 0.584 120.188 119.600 0.007 0.000 2.644 115 M HA 0.399 4.907 4.480 0.047 0.000 0.304 115 M C -0.030 176.299 176.300 0.049 0.000 1.215 115 M CA -1.276 54.031 55.300 0.012 0.000 0.871 115 M CB 2.543 35.137 32.600 -0.009 0.000 1.740 115 M HN -0.007 nan 8.290 nan 0.000 0.464 116 V N 2.443 122.372 119.914 0.025 0.000 2.461 116 V HA 0.405 4.552 4.120 0.047 0.000 0.275 116 V C -0.384 175.827 176.094 0.194 0.000 1.047 116 V CA -0.391 61.961 62.300 0.087 0.000 0.955 116 V CB 1.188 32.995 31.823 -0.026 0.000 0.988 116 V HN 0.585 nan 8.190 nan 0.000 0.471 117 V N 4.146 124.217 119.914 0.261 0.000 2.760 117 V HA 0.749 4.897 4.120 0.047 0.000 0.309 117 V C -0.030 176.257 176.094 0.321 0.000 1.077 117 V CA -0.432 62.020 62.300 0.253 0.000 0.910 117 V CB 2.406 34.326 31.823 0.162 0.000 1.008 117 V HN 1.010 nan 8.190 nan 0.000 0.424 118 T N -1.549 113.140 114.554 0.225 0.000 2.887 118 T HA 0.414 4.792 4.350 0.047 0.000 0.292 118 T C 0.277 175.054 174.700 0.130 0.000 1.087 118 T CA -0.637 61.582 62.100 0.199 0.000 1.009 118 T CB 2.033 70.976 68.868 0.124 0.000 1.203 118 T HN 0.428 nan 8.240 nan 0.000 0.518 119 D N 0.993 121.452 120.400 0.100 0.000 2.123 119 D HA -0.098 4.570 4.640 0.047 0.000 0.196 119 D C 1.463 177.780 176.300 0.028 0.000 0.992 119 D CA 1.849 55.878 54.000 0.048 0.000 0.833 119 D CB -0.340 40.475 40.800 0.026 0.000 0.954 119 D HN 0.818 nan 8.370 nan 0.000 0.455 120 D N -0.082 120.333 120.400 0.026 0.000 2.312 120 D HA -0.081 4.587 4.640 0.047 0.000 0.211 120 D C 1.884 178.279 176.300 0.158 0.000 0.964 120 D CA 0.179 54.204 54.000 0.042 0.000 0.877 120 D CB -0.835 39.953 40.800 -0.020 0.000 0.924 120 D HN 0.212 nan 8.370 nan 0.000 0.515 121 C N 0.329 119.747 119.300 0.197 0.000 2.432 121 C HA -0.020 4.468 4.460 0.047 0.000 0.277 121 C C 2.700 177.734 174.990 0.073 0.000 1.249 121 C CA 0.336 59.494 59.018 0.233 0.000 1.725 121 C CB -1.080 26.782 27.740 0.202 0.000 2.028 121 C HN 0.379 nan 8.230 nan 0.000 0.477 122 L N 0.256 121.484 121.223 0.008 0.000 2.056 122 L HA -0.132 4.236 4.340 0.047 0.000 0.207 122 L C 2.548 179.386 176.870 -0.054 0.000 1.078 122 L CA 1.433 56.235 54.840 -0.063 0.000 0.749 122 L CB -0.738 41.249 42.059 -0.120 0.000 0.901 122 L HN 0.318 nan 8.230 nan 0.000 0.433 123 E N 0.240 120.424 120.200 -0.028 0.000 2.097 123 E HA -0.260 4.118 4.350 0.047 0.000 0.196 123 E C 2.209 178.777 176.600 -0.054 0.000 1.000 123 E CA 1.306 57.685 56.400 -0.034 0.000 0.804 123 E CB -0.057 29.635 29.700 -0.013 0.000 0.740 123 E HN 0.352 nan 8.360 nan 0.000 0.454 124 L N 0.122 121.323 121.223 -0.036 0.000 2.162 124 L HA -0.031 4.337 4.340 0.047 0.000 0.205 124 L C 2.050 178.797 176.870 -0.205 0.000 1.086 124 L CA 0.548 55.335 54.840 -0.089 0.000 0.778 124 L CB -0.063 41.986 42.059 -0.016 0.000 0.928 124 L HN 0.226 nan 8.230 nan 0.000 0.446 125 I N 0.296 120.790 120.570 -0.127 0.000 2.118 125 I HA -0.355 3.843 4.170 0.047 0.000 0.241 125 I C 2.774 178.770 176.117 -0.201 0.000 1.070 125 I CA 1.518 62.745 61.300 -0.122 0.000 1.327 125 I CB -0.585 37.317 38.000 -0.164 0.000 1.034 125 I HN 0.301 nan 8.210 nan 0.000 0.405 126 A N 1.743 124.479 122.820 -0.140 0.000 1.858 126 A HA -0.245 4.103 4.320 0.047 0.000 0.216 126 A C 2.351 179.876 177.584 -0.098 0.000 1.190 126 A CA 2.162 54.154 52.037 -0.074 0.000 0.617 126 A CB -0.629 18.341 19.000 -0.050 0.000 0.827 126 A HN 0.566 nan 8.150 nan 0.000 0.443 127 K N -0.266 120.051 120.400 -0.139 0.000 2.148 127 K HA -0.049 4.299 4.320 0.047 0.000 0.204 127 K C 1.614 178.086 176.600 -0.215 0.000 1.050 127 K CA 1.812 58.018 56.287 -0.135 0.000 0.942 127 K CB -0.273 32.163 32.500 -0.106 0.000 0.724 127 K HN 0.407 nan 8.250 nan 0.000 0.446 128 S N 0.265 115.714 115.700 -0.419 0.000 2.486 128 S HA 0.161 4.659 4.470 0.047 0.000 0.220 128 S C 0.129 174.342 174.600 -0.645 0.000 1.011 128 S CA -0.367 57.471 58.200 -0.604 0.000 0.921 128 S CB -0.111 62.547 63.200 -0.903 0.000 0.785 128 S HN 0.226 nan 8.310 nan 0.000 0.517 129 F N 2.226 122.154 119.950 -0.036 0.000 2.308 129 F HA 0.506 5.061 4.527 0.047 0.000 0.370 129 F C 1.176 177.062 175.800 0.144 0.000 1.100 129 F CA -1.016 57.012 58.000 0.046 0.000 1.108 129 F CB 0.992 40.003 39.000 0.018 0.000 1.293 129 F HN -0.169 nan 8.300 nan 0.000 0.478 130 K N 1.651 122.221 120.400 0.283 0.000 2.031 130 K HA -0.078 4.270 4.320 0.047 0.000 0.205 130 K C 0.891 177.662 176.600 0.285 0.000 1.049 130 K CA 1.138 57.560 56.287 0.226 0.000 0.939 130 K CB -0.068 32.526 32.500 0.156 0.000 0.717 130 K HN 0.595 nan 8.250 nan 0.000 0.438 131 N N 0.535 119.436 118.700 0.335 0.000 2.535 131 N HA -0.065 4.703 4.740 0.047 0.000 0.203 131 N C -0.529 175.169 175.510 0.313 0.000 1.301 131 N CA -0.428 52.800 53.050 0.296 0.000 0.859 131 N CB -0.101 38.569 38.487 0.304 0.000 1.055 131 N HN 0.017 nan 8.380 nan 0.000 0.457 132 F N 1.893 121.959 119.950 0.194 0.000 2.543 132 F HA 0.025 4.580 4.527 0.047 0.000 0.375 132 F C 1.119 176.987 175.800 0.114 0.000 1.075 132 F CA 0.206 58.298 58.000 0.153 0.000 1.225 132 F CB 0.679 39.799 39.000 0.200 0.000 1.099 132 F HN -0.096 nan 8.300 nan 0.000 0.561 133 K N 3.076 123.039 120.400 -0.728 0.000 2.443 133 K HA 0.283 4.631 4.320 0.047 0.000 0.200 133 K C -0.827 175.416 176.600 -0.596 0.000 1.278 133 K CA 0.185 56.183 56.287 -0.481 0.000 0.925 133 K CB 0.900 33.264 32.500 -0.226 0.000 1.225 133 K HN 0.290 nan 8.250 nan 0.000 0.514 134 V N 2.787 122.203 119.914 -0.830 0.000 2.443 134 V HA 0.334 4.482 4.120 0.047 0.000 0.293 134 V C -1.526 174.385 176.094 -0.304 0.000 1.021 134 V CA -0.834 61.224 62.300 -0.402 0.000 0.848 134 V CB 1.740 33.428 31.823 -0.226 0.000 0.998 134 V HN 0.084 nan 8.190 nan 0.000 0.424 135 L N 6.963 128.132 121.223 -0.090 0.000 2.372 135 L HA 0.728 5.096 4.340 0.047 0.000 0.273 135 L C -0.841 176.048 176.870 0.031 0.000 0.989 135 L CA -0.062 54.831 54.840 0.088 0.000 0.841 135 L CB 1.756 43.939 42.059 0.206 0.000 1.225 135 L HN 0.428 nan 8.230 nan 0.000 0.414 136 V N 6.735 126.662 119.914 0.022 0.000 2.378 136 V HA 0.420 4.568 4.120 0.047 0.000 0.288 136 V C -0.181 175.918 176.094 0.008 0.000 1.016 136 V CA -0.428 61.880 62.300 0.013 0.000 0.840 136 V CB 1.556 33.385 31.823 0.009 0.000 0.994 136 V HN 0.557 nan 8.190 nan 0.000 0.431 137 L N 4.085 125.310 121.223 0.005 0.000 2.321 137 L HA 0.445 4.813 4.340 0.047 0.000 0.272 137 L C 0.477 177.384 176.870 0.061 0.000 1.050 137 L CA 0.020 54.869 54.840 0.016 0.000 0.893 137 L CB 1.414 43.456 42.059 -0.028 0.000 1.272 137 L HN 0.611 nan 8.230 nan 0.000 0.435 138 S N 1.572 117.301 115.700 0.048 0.000 2.416 138 S HA 0.212 4.710 4.470 0.047 0.000 0.287 138 S C 0.727 175.359 174.600 0.052 0.000 1.139 138 S CA -0.396 57.835 58.200 0.053 0.000 1.058 138 S CB 0.188 63.413 63.200 0.041 0.000 0.967 138 S HN 0.691 nan 8.310 nan 0.000 0.495 139 S N 2.460 118.197 115.700 0.061 0.000 3.559 139 S HA -0.156 4.342 4.470 0.047 0.000 0.369 139 S C 0.556 175.186 174.600 0.049 0.000 0.987 139 S CA 0.545 58.771 58.200 0.043 0.000 1.187 139 S CB -2.731 60.476 63.200 0.012 0.000 0.914 139 S HN 0.777 nan 8.310 nan 0.000 0.480 140 C N 1.691 121.055 119.300 0.107 0.000 2.345 140 C HA 0.850 5.338 4.460 0.047 0.000 0.369 140 C C 0.860 175.922 174.990 0.119 0.000 1.273 140 C CA -0.582 58.527 59.018 0.151 0.000 2.310 140 C CB 1.081 28.973 27.740 0.254 0.000 2.219 140 C HN 0.812 nan 8.230 nan 0.000 0.587 141 E N -0.761 119.502 120.200 0.105 0.000 2.460 141 E HA 0.489 4.867 4.350 0.047 0.000 0.277 141 E C -0.010 176.589 176.600 -0.002 0.000 1.010 141 E CA 0.241 56.602 56.400 -0.065 0.000 0.838 141 E CB 1.163 30.821 29.700 -0.070 0.000 1.448 141 E HN 1.379 nan 8.360 nan 0.000 0.462 142 G N 0.537 109.249 108.800 -0.148 0.000 2.132 142 G HA2 -0.210 3.778 3.960 0.047 0.000 0.234 142 G HA3 -0.210 3.778 3.960 0.047 0.000 0.234 142 G C -0.285 174.651 174.900 0.059 0.000 0.989 142 G CA 0.529 45.620 45.100 -0.014 0.000 0.676 142 G HN 0.568 nan 8.290 nan 0.000 0.522 143 F N -0.068 119.874 119.950 -0.013 0.000 2.712 143 F HA 0.933 5.487 4.527 0.046 0.000 0.367 143 F C 0.319 176.081 175.800 -0.065 0.000 1.132 143 F CA -0.934 57.043 58.000 -0.038 0.000 1.066 143 F CB 1.118 40.088 39.000 -0.050 0.000 1.416 143 F HN 0.555 nan 8.300 nan 0.000 0.515 144 S N -2.060 113.716 115.700 0.127 0.000 2.661 144 S HA 0.335 4.833 4.470 0.047 0.000 0.285 144 S C 0.464 175.070 174.600 0.010 0.000 1.138 144 S CA -0.122 58.068 58.200 -0.016 0.000 0.855 144 S CB 0.837 64.016 63.200 -0.034 0.000 1.136 144 S HN 1.040 nan 8.310 nan 0.000 0.484 145 T N -1.370 113.135 114.554 -0.082 0.000 2.836 145 T HA -0.216 4.162 4.350 0.047 0.000 0.268 145 T C 0.812 175.445 174.700 -0.112 0.000 1.080 145 T CA 2.174 64.175 62.100 -0.164 0.000 1.128 145 T CB -1.126 67.738 68.868 -0.006 0.000 0.839 145 T HN 0.670 nan 8.240 nan 0.000 0.507 146 D N 1.509 121.861 120.400 -0.080 0.000 2.178 146 D HA 0.084 4.752 4.640 0.047 0.000 0.201 146 D C 2.375 178.611 176.300 -0.107 0.000 0.980 146 D CA 1.251 55.186 54.000 -0.107 0.000 0.842 146 D CB -0.672 40.087 40.800 -0.069 0.000 0.948 146 D HN 0.571 nan 8.370 nan 0.000 0.472 147 G N 0.440 109.200 108.800 -0.067 0.000 2.394 147 G HA2 -0.159 3.829 3.960 0.047 0.000 0.214 147 G HA3 -0.159 3.829 3.960 0.047 0.000 0.214 147 G C 1.559 176.367 174.900 -0.153 0.000 1.176 147 G CA 0.225 45.278 45.100 -0.078 0.000 0.786 147 G HN 0.203 nan 8.290 nan 0.000 0.533 148 L N 1.032 122.122 121.223 -0.221 0.000 2.021 148 L HA -0.206 4.162 4.340 0.047 0.000 0.215 148 L C 3.426 180.217 176.870 -0.131 0.000 1.074 148 L CA 1.336 55.974 54.840 -0.336 0.000 0.760 148 L CB -0.856 40.693 42.059 -0.851 0.000 0.889 148 L HN 0.303 nan 8.230 nan 0.000 0.433 149 A N 0.489 123.253 122.820 -0.094 0.000 1.870 149 A HA -0.333 4.015 4.320 0.047 0.000 0.219 149 A C 2.580 180.031 177.584 -0.222 0.000 1.224 149 A CA 2.742 54.638 52.037 -0.235 0.000 0.650 149 A CB -1.133 17.550 19.000 -0.528 0.000 0.836 149 A HN 0.458 nan 8.150 nan 0.000 0.454 150 A N -0.509 122.206 122.820 -0.175 0.000 1.917 150 A HA -0.137 4.211 4.320 0.047 0.000 0.219 150 A C 2.069 179.585 177.584 -0.112 0.000 1.182 150 A CA 1.844 53.810 52.037 -0.119 0.000 0.633 150 A CB -0.594 18.354 19.000 -0.088 0.000 0.819 150 A HN 0.494 nan 8.150 nan 0.000 0.448 151 I N -0.195 120.301 120.570 -0.124 0.000 2.179 151 I HA -0.258 3.940 4.170 0.047 0.000 0.242 151 I C 2.996 178.987 176.117 -0.211 0.000 1.088 151 I CA 1.475 62.712 61.300 -0.105 0.000 1.357 151 I CB -1.681 36.270 38.000 -0.081 0.000 1.051 151 I HN 0.383 nan 8.210 nan 0.000 0.409 152 A N 1.153 123.748 122.820 -0.375 0.000 1.873 152 A HA -0.200 4.148 4.320 0.047 0.000 0.218 152 A C 2.583 179.851 177.584 -0.526 0.000 1.193 152 A CA 2.470 53.976 52.037 -0.885 0.000 0.629 152 A CB -0.926 17.571 19.000 -0.838 0.000 0.826 152 A HN 0.438 nan 8.150 nan 0.000 0.447 153 A N -1.519 121.176 122.820 -0.209 0.000 1.933 153 A HA -0.036 4.312 4.320 0.047 0.000 0.218 153 A C 2.212 179.764 177.584 -0.053 0.000 1.175 153 A CA 2.349 54.356 52.037 -0.049 0.000 0.628 153 A CB -0.791 18.243 19.000 0.057 0.000 0.814 153 A HN 0.489 nan 8.150 nan 0.000 0.444 154 T N -2.086 112.428 114.554 -0.066 0.000 3.018 154 T HA 0.077 4.455 4.350 0.047 0.000 0.246 154 T C 0.587 175.305 174.700 0.030 0.000 1.026 154 T CA 0.379 62.474 62.100 -0.009 0.000 1.081 154 T CB -0.236 68.628 68.868 -0.006 0.000 0.970 154 T HN 0.362 nan 8.240 nan 0.000 0.475 155 C N 4.484 123.799 119.300 0.025 0.000 2.345 155 C HA 0.316 4.804 4.460 0.047 0.000 0.349 155 C C 1.993 177.062 174.990 0.131 0.000 1.130 155 C CA -1.076 58.021 59.018 0.133 0.000 1.574 155 C CB -1.246 26.638 27.740 0.239 0.000 2.108 155 C HN 0.570 nan 8.230 nan 0.000 0.516 156 R N 1.790 122.391 120.500 0.169 0.000 2.307 156 R HA 0.033 4.401 4.340 0.047 0.000 0.199 156 R C 0.389 176.875 176.300 0.310 0.000 1.000 156 R CA 1.055 57.287 56.100 0.220 0.000 1.023 156 R CB -0.139 30.268 30.300 0.180 0.000 0.908 156 R HN 0.625 nan 8.270 nan 0.000 0.473 157 N N 0.900 119.759 118.700 0.265 0.000 2.291 157 N HA 0.061 4.829 4.740 0.047 0.000 0.244 157 N C -0.608 175.036 175.510 0.223 0.000 1.216 157 N CA -0.454 52.739 53.050 0.238 0.000 0.879 157 N CB 0.615 39.191 38.487 0.149 0.000 1.167 157 N HN 0.089 nan 8.380 nan 0.000 0.515 158 L N 1.494 122.903 121.223 0.310 0.000 2.601 158 L HA -0.046 4.322 4.340 0.047 0.000 0.277 158 L C 1.145 178.177 176.870 0.270 0.000 1.219 158 L CA 0.920 55.899 54.840 0.231 0.000 0.915 158 L CB 0.547 42.767 42.059 0.269 0.000 1.160 158 L HN 0.022 nan 8.230 nan 0.000 0.494 159 K N 2.931 123.381 120.400 0.083 0.000 2.365 159 K HA 0.243 4.591 4.320 0.047 0.000 0.195 159 K C -0.425 176.198 176.600 0.038 0.000 1.079 159 K CA 0.303 56.615 56.287 0.043 0.000 0.979 159 K CB 0.509 32.995 32.500 -0.023 0.000 0.929 159 K HN 0.634 nan 8.250 nan 0.000 0.523 160 E N 1.077 121.289 120.200 0.019 0.000 2.278 160 E HA 0.240 4.618 4.350 0.047 0.000 0.272 160 E C -1.781 174.852 176.600 0.056 0.000 0.890 160 E CA -0.651 55.765 56.400 0.027 0.000 0.770 160 E CB 2.343 32.031 29.700 -0.019 0.000 1.212 160 E HN -0.150 nan 8.360 nan 0.000 0.415 161 L N 3.183 124.469 121.223 0.105 0.000 2.417 161 L HA 0.394 4.762 4.340 0.047 0.000 0.259 161 L C -1.458 175.469 176.870 0.094 0.000 1.023 161 L CA -0.319 54.594 54.840 0.121 0.000 0.901 161 L CB 0.986 43.182 42.059 0.228 0.000 1.227 161 L HN 0.390 nan 8.230 nan 0.000 0.454 162 D N 4.757 125.189 120.400 0.054 0.000 2.441 162 D HA 0.296 4.964 4.640 0.047 0.000 0.231 162 D C -0.139 176.189 176.300 0.048 0.000 1.073 162 D CA -0.176 53.854 54.000 0.051 0.000 0.850 162 D CB 1.179 41.999 40.800 0.033 0.000 1.062 162 D HN 0.620 nan 8.370 nan 0.000 0.524 163 L N 4.768 126.030 121.223 0.065 0.000 2.984 163 L HA 0.219 4.587 4.340 0.047 0.000 0.246 163 L C 0.983 177.908 176.870 0.093 0.000 1.268 163 L CA -0.606 54.280 54.840 0.077 0.000 1.054 163 L CB -0.151 41.956 42.059 0.079 0.000 1.393 163 L HN 0.195 nan 8.230 nan 0.000 0.532 164 R N 1.477 122.025 120.500 0.081 0.000 2.638 164 R HA -0.086 4.282 4.340 0.047 0.000 0.351 164 R C -0.438 175.917 176.300 0.092 0.000 0.871 164 R CA 0.475 56.627 56.100 0.088 0.000 1.091 164 R CB -0.199 30.146 30.300 0.075 0.000 0.900 164 R HN 0.406 nan 8.270 nan 0.000 0.405 165 E N -0.138 120.120 120.200 0.097 0.000 3.573 165 E HA -0.112 4.266 4.350 0.047 0.000 0.322 165 E C -0.996 175.641 176.600 0.061 0.000 0.836 165 E CA 0.764 57.215 56.400 0.085 0.000 1.183 165 E CB -1.583 28.168 29.700 0.086 0.000 1.595 165 E HN 0.771 nan 8.360 nan 0.000 0.408 166 S N 0.999 116.740 115.700 0.067 0.000 2.541 166 S HA 0.248 4.746 4.470 0.047 0.000 0.283 166 S C -0.009 174.565 174.600 -0.043 0.000 1.196 166 S CA -0.690 57.538 58.200 0.047 0.000 1.062 166 S CB 1.608 64.909 63.200 0.170 0.000 1.009 166 S HN 0.069 nan 8.310 nan 0.000 0.502 167 D N 2.665 123.001 120.400 -0.106 0.000 2.348 167 D HA 0.189 4.857 4.640 0.047 0.000 0.259 167 D C -0.454 175.613 176.300 -0.389 0.000 1.296 167 D CA 0.079 53.971 54.000 -0.180 0.000 0.931 167 D CB 0.181 40.892 40.800 -0.148 0.000 1.067 167 D HN 0.139 nan 8.370 nan 0.000 0.503 168 V N 2.983 122.686 119.914 -0.350 0.000 2.546 168 V HA 0.067 4.215 4.120 0.047 0.000 0.284 168 V C 0.630 176.548 176.094 -0.294 0.000 1.050 168 V CA -0.956 61.057 62.300 -0.478 0.000 0.981 168 V CB 1.594 33.230 31.823 -0.311 0.000 0.990 168 V HN 0.374 nan 8.190 nan 0.000 0.474 169 D N 2.771 122.993 120.400 -0.298 0.000 2.363 169 D HA -0.009 4.659 4.640 0.047 0.000 0.263 169 D C 0.067 176.305 176.300 -0.104 0.000 1.258 169 D CA 0.082 53.987 54.000 -0.159 0.000 0.907 169 D CB 0.339 41.065 40.800 -0.124 0.000 1.107 169 D HN 0.491 nan 8.370 nan 0.000 0.495 170 D N 4.328 124.687 120.400 -0.068 0.000 2.545 170 D HA -0.012 4.656 4.640 0.047 0.000 0.227 170 D C 1.126 177.427 176.300 0.002 0.000 1.150 170 D CA -0.048 53.939 54.000 -0.023 0.000 1.046 170 D CB 0.985 41.777 40.800 -0.014 0.000 1.098 170 D HN 0.238 nan 8.370 nan 0.000 0.502 171 V N 1.230 121.149 119.914 0.007 0.000 2.453 171 V HA -0.101 4.047 4.120 0.047 0.000 0.247 171 V C 0.905 177.032 176.094 0.055 0.000 1.048 171 V CA 1.328 63.640 62.300 0.020 0.000 1.049 171 V CB -0.084 31.741 31.823 0.004 0.000 0.672 171 V HN 0.693 nan 8.190 nan 0.000 0.457 172 S N -2.958 112.799 115.700 0.096 0.000 2.816 172 S HA 0.236 4.734 4.470 0.047 0.000 0.282 172 S C 0.462 175.203 174.600 0.234 0.000 0.867 172 S CA -0.112 58.169 58.200 0.134 0.000 0.886 172 S CB 0.149 63.422 63.200 0.122 0.000 1.115 172 S HN 0.530 nan 8.310 nan 0.000 0.485 173 G N 1.370 110.285 108.800 0.192 0.000 2.537 173 G HA2 -0.228 3.760 3.960 0.047 0.000 0.220 173 G HA3 -0.228 3.760 3.960 0.047 0.000 0.220 173 G C 1.221 176.135 174.900 0.023 0.000 1.111 173 G CA 1.258 46.440 45.100 0.136 0.000 0.748 173 G HN 1.206 nan 8.290 nan 0.000 0.564 174 H N -0.493 118.621 119.070 0.073 0.000 2.431 174 H HA -0.204 4.380 4.556 0.046 0.000 0.297 174 H C 2.228 177.635 175.328 0.131 0.000 1.115 174 H CA 1.610 57.711 56.048 0.088 0.000 1.277 174 H CB -0.397 29.456 29.762 0.151 0.000 1.372 174 H HN 0.695 nan 8.280 nan 0.000 0.516 175 W N 1.266 122.614 121.300 0.080 0.000 2.335 175 W HA -0.224 4.463 4.660 0.045 0.000 0.311 175 W C 1.885 178.513 176.519 0.183 0.000 1.213 175 W CA 0.475 57.801 57.345 -0.031 0.000 1.274 175 W CB -1.320 28.060 29.460 -0.134 0.000 1.148 175 W HN 0.260 nan 8.180 nan 0.000 0.498 176 L N 2.203 122.690 121.223 -1.227 0.000 2.129 176 L HA -0.228 4.140 4.340 0.047 0.000 0.212 176 L C 2.574 179.378 176.870 -0.111 0.000 1.087 176 L CA 2.173 56.422 54.840 -0.984 0.000 0.757 176 L CB -0.460 40.873 42.059 -1.209 0.000 0.896 176 L HN -0.093 nan 8.230 nan 0.000 0.434 177 S N -1.727 113.970 115.700 -0.005 0.000 2.515 177 S HA -0.104 4.394 4.470 0.047 0.000 0.231 177 S C 1.468 176.112 174.600 0.073 0.000 0.987 177 S CA 0.355 58.577 58.200 0.037 0.000 0.936 177 S CB -0.542 62.630 63.200 -0.048 0.000 0.766 177 S HN 0.599 nan 8.310 nan 0.000 0.528 178 H N -0.293 118.810 119.070 0.055 0.000 2.555 178 H HA 0.110 4.694 4.556 0.046 0.000 0.269 178 H C -0.295 175.019 175.328 -0.023 0.000 0.988 178 H CA 0.122 56.185 56.048 0.024 0.000 1.178 178 H CB -0.117 29.666 29.762 0.034 0.000 1.373 178 H HN 0.376 nan 8.280 nan 0.000 0.588 179 F N 3.007 122.998 119.950 0.069 0.000 2.557 179 F HA 0.062 4.618 4.527 0.048 0.000 0.384 179 F C -1.596 174.228 175.800 0.039 0.000 1.057 179 F CA -1.944 56.045 58.000 -0.019 0.000 1.169 179 F CB 0.212 39.200 39.000 -0.020 0.000 1.070 179 F HN 0.005 nan 8.300 nan 0.000 0.554 180 P HA -0.018 nan 4.420 nan 0.000 0.270 180 P C 0.240 177.661 177.300 0.201 0.000 1.223 180 P CA -0.089 63.114 63.100 0.172 0.000 0.785 180 P CB 0.713 32.501 31.700 0.147 0.000 0.923 181 D N -0.055 120.417 120.400 0.119 0.000 2.263 181 D HA -0.096 4.572 4.640 0.047 0.000 0.208 181 D C 1.251 177.607 176.300 0.094 0.000 0.971 181 D CA 1.439 55.492 54.000 0.089 0.000 0.867 181 D CB -0.545 40.283 40.800 0.046 0.000 0.929 181 D HN 0.447 nan 8.370 nan 0.000 0.492 182 T N -1.627 112.997 114.554 0.118 0.000 3.160 182 T HA -0.093 4.285 4.350 0.047 0.000 0.257 182 T C 0.659 175.450 174.700 0.152 0.000 1.147 182 T CA -0.230 61.934 62.100 0.107 0.000 1.064 182 T CB -0.408 68.520 68.868 0.100 0.000 0.949 182 T HN 0.069 nan 8.240 nan 0.000 0.526 183 Y N 2.955 123.295 120.300 0.067 0.000 2.336 183 Y HA 0.437 5.015 4.550 0.047 0.000 0.335 183 Y C 1.181 177.091 175.900 0.017 0.000 1.046 183 Y CA -0.557 57.592 58.100 0.081 0.000 1.198 183 Y CB 1.235 39.809 38.460 0.190 0.000 1.182 183 Y HN 0.125 nan 8.280 nan 0.000 0.502 184 T N -0.990 113.232 114.554 -0.552 0.000 3.130 184 T HA 0.040 4.418 4.350 0.047 0.000 0.288 184 T C 0.959 175.306 174.700 -0.587 0.000 0.936 184 T CA 0.421 62.219 62.100 -0.503 0.000 0.897 184 T CB -0.637 68.099 68.868 -0.221 0.000 1.178 184 T HN 0.507 nan 8.240 nan 0.000 0.543 185 S N 1.162 116.395 115.700 -0.778 0.000 2.593 185 S HA 0.325 4.823 4.470 0.047 0.000 0.217 185 S C 0.587 175.025 174.600 -0.270 0.000 0.966 185 S CA -0.546 57.429 58.200 -0.375 0.000 0.914 185 S CB -0.592 62.508 63.200 -0.167 0.000 0.776 185 S HN 0.391 nan 8.310 nan 0.000 0.523 186 L N 2.385 123.382 121.223 -0.377 0.000 2.615 186 L HA 0.054 4.422 4.340 0.047 0.000 0.284 186 L C 0.852 177.671 176.870 -0.085 0.000 1.237 186 L CA 0.610 55.387 54.840 -0.105 0.000 0.905 186 L CB 0.558 42.552 42.059 -0.108 0.000 1.149 186 L HN 0.141 nan 8.230 nan 0.000 0.499 187 V N 2.044 121.940 119.914 -0.030 0.000 3.539 187 V HA 0.276 4.424 4.120 0.047 0.000 0.262 187 V C 0.300 176.381 176.094 -0.020 0.000 1.381 187 V CA 0.621 62.899 62.300 -0.037 0.000 1.060 187 V CB 0.774 32.577 31.823 -0.035 0.000 0.842 187 V HN 0.793 nan 8.190 nan 0.000 0.445 188 S N 0.582 116.285 115.700 0.004 0.000 2.626 188 S HA 0.675 5.173 4.470 0.047 0.000 0.275 188 S C -1.947 172.682 174.600 0.047 0.000 1.175 188 S CA -0.306 57.902 58.200 0.014 0.000 0.982 188 S CB 1.493 64.696 63.200 0.006 0.000 1.093 188 S HN 0.188 nan 8.310 nan 0.000 0.472 189 L N 5.147 126.402 121.223 0.053 0.000 2.439 189 L HA 0.737 5.105 4.340 0.047 0.000 0.270 189 L C -1.260 175.669 176.870 0.098 0.000 0.972 189 L CA -0.186 54.712 54.840 0.097 0.000 0.836 189 L CB 1.850 43.967 42.059 0.097 0.000 1.255 189 L HN 0.652 nan 8.230 nan 0.000 0.404 190 N N 5.354 124.123 118.700 0.115 0.000 2.576 190 N HA 0.377 5.145 4.740 0.047 0.000 0.269 190 N C -0.394 175.199 175.510 0.138 0.000 1.058 190 N CA -0.514 52.599 53.050 0.106 0.000 0.860 190 N CB 0.846 39.378 38.487 0.075 0.000 1.249 190 N HN 0.675 nan 8.380 nan 0.000 0.525 191 I N 0.407 121.078 120.570 0.169 0.000 3.856 191 I HA 0.249 4.447 4.170 0.047 0.000 0.330 191 I C 0.874 177.093 176.117 0.170 0.000 1.546 191 I CA -0.408 61.007 61.300 0.191 0.000 1.132 191 I CB 0.112 38.283 38.000 0.284 0.000 1.157 191 I HN 0.206 nan 8.210 nan 0.000 0.440 192 S N 0.740 116.551 115.700 0.186 0.000 2.528 192 S HA -0.184 4.314 4.470 0.047 0.000 0.244 192 S C 1.662 176.369 174.600 0.177 0.000 0.982 192 S CA 1.001 59.357 58.200 0.259 0.000 0.953 192 S CB -1.117 62.297 63.200 0.358 0.000 0.754 192 S HN 0.853 nan 8.310 nan 0.000 0.529 193 C N -0.294 119.076 119.300 0.116 0.000 2.926 193 C HA 0.507 4.995 4.460 0.047 0.000 0.272 193 C C 0.806 175.803 174.990 0.012 0.000 1.249 193 C CA -1.196 57.861 59.018 0.065 0.000 1.691 193 C CB -1.483 26.297 27.740 0.065 0.000 1.983 193 C HN 0.436 nan 8.230 nan 0.000 0.615 194 L N 1.959 123.203 121.223 0.034 0.000 2.462 194 L HA 0.294 4.662 4.340 0.047 0.000 0.272 194 L C 1.602 178.458 176.870 -0.024 0.000 1.166 194 L CA 0.270 55.129 54.840 0.032 0.000 0.880 194 L CB 0.799 42.937 42.059 0.131 0.000 1.142 194 L HN 0.397 nan 8.230 nan 0.000 0.473 195 A N 2.658 125.452 122.820 -0.042 0.000 1.935 195 A HA -0.046 4.302 4.320 0.047 0.000 0.214 195 A C 1.316 178.885 177.584 -0.025 0.000 1.178 195 A CA 0.723 52.717 52.037 -0.072 0.000 0.640 195 A CB -0.217 18.739 19.000 -0.073 0.000 0.825 195 A HN 0.779 nan 8.150 nan 0.000 0.447 196 S N 0.706 116.424 115.700 0.030 0.000 2.558 196 S HA 0.014 4.512 4.470 0.047 0.000 0.293 196 S C -0.030 174.619 174.600 0.081 0.000 1.292 196 S CA -0.164 58.079 58.200 0.071 0.000 1.063 196 S CB 0.320 63.603 63.200 0.139 0.000 0.831 196 S HN 0.476 nan 8.310 nan 0.000 0.499 197 E N 3.142 123.375 120.200 0.055 0.000 2.089 197 E HA 0.291 4.669 4.350 0.047 0.000 0.284 197 E C -0.197 176.437 176.600 0.056 0.000 1.023 197 E CA -0.632 55.794 56.400 0.044 0.000 0.819 197 E CB 1.056 30.767 29.700 0.018 0.000 1.076 197 E HN 0.617 nan 8.360 nan 0.000 0.396 198 V N 3.328 123.274 119.914 0.053 0.000 3.503 198 V HA -0.014 4.134 4.120 0.047 0.000 0.300 198 V C 0.384 176.479 176.094 0.001 0.000 1.099 198 V CA 0.177 62.466 62.300 -0.020 0.000 1.117 198 V CB 1.591 33.384 31.823 -0.050 0.000 1.122 198 V HN 0.833 nan 8.190 nan 0.000 0.476 199 S N 1.934 117.609 115.700 -0.042 0.000 2.489 199 S HA 0.219 4.717 4.470 0.047 0.000 0.277 199 S C 0.482 175.090 174.600 0.013 0.000 1.230 199 S CA -0.324 57.879 58.200 0.005 0.000 1.053 199 S CB 0.566 63.750 63.200 -0.025 0.000 0.955 199 S HN 0.578 nan 8.310 nan 0.000 0.488 200 F N 4.020 123.942 119.950 -0.046 0.000 2.234 200 F HA -0.068 4.486 4.527 0.045 0.000 0.299 200 F C 2.331 178.105 175.800 -0.043 0.000 1.087 200 F CA 1.829 59.803 58.000 -0.043 0.000 1.340 200 F CB -0.595 38.383 39.000 -0.036 0.000 1.031 200 F HN 0.738 nan 8.300 nan 0.000 0.500 201 S N 0.897 116.555 115.700 -0.070 0.000 2.343 201 S HA -0.212 4.286 4.470 0.047 0.000 0.219 201 S C 2.407 176.894 174.600 -0.188 0.000 1.033 201 S CA 1.016 59.144 58.200 -0.119 0.000 1.014 201 S CB -1.430 61.753 63.200 -0.029 0.000 0.915 201 S HN 0.453 nan 8.310 nan 0.000 0.435 202 A N 2.063 124.799 122.820 -0.140 0.000 1.903 202 A HA -0.125 4.223 4.320 0.047 0.000 0.219 202 A C 2.237 179.706 177.584 -0.192 0.000 1.191 202 A CA 1.920 53.876 52.037 -0.135 0.000 0.638 202 A CB -0.988 17.947 19.000 -0.108 0.000 0.823 202 A HN 0.432 nan 8.150 nan 0.000 0.451 203 L N -0.078 120.986 121.223 -0.266 0.000 1.994 203 L HA -0.141 4.227 4.340 0.047 0.000 0.208 203 L C 2.275 178.936 176.870 -0.350 0.000 1.071 203 L CA 2.759 57.422 54.840 -0.295 0.000 0.745 203 L CB -0.849 41.024 42.059 -0.311 0.000 0.892 203 L HN 0.596 nan 8.230 nan 0.000 0.431 204 E N -0.624 119.253 120.200 -0.538 0.000 2.077 204 E HA -0.287 4.091 4.350 0.047 0.000 0.193 204 E C 2.430 178.885 176.600 -0.242 0.000 0.989 204 E CA 1.176 57.310 56.400 -0.444 0.000 0.800 204 E CB -0.098 29.272 29.700 -0.549 0.000 0.746 204 E HN 0.458 nan 8.360 nan 0.000 0.452 205 R N 0.406 120.782 120.500 -0.206 0.000 2.073 205 R HA -0.110 4.258 4.340 0.047 0.000 0.234 205 R C 2.638 178.865 176.300 -0.121 0.000 1.134 205 R CA 0.946 56.968 56.100 -0.130 0.000 0.952 205 R CB -0.319 29.920 30.300 -0.102 0.000 0.850 205 R HN 0.271 nan 8.270 nan 0.000 0.433 206 L N 0.783 121.923 121.223 -0.139 0.000 1.971 206 L HA -0.231 4.137 4.340 0.047 0.000 0.215 206 L C 2.233 179.009 176.870 -0.156 0.000 1.072 206 L CA 1.899 56.649 54.840 -0.150 0.000 0.758 206 L CB -0.540 41.404 42.059 -0.191 0.000 0.889 206 L HN 0.157 nan 8.230 nan 0.000 0.433 207 V N -0.370 119.450 119.914 -0.157 0.000 2.453 207 V HA -0.312 3.836 4.120 0.047 0.000 0.252 207 V C 2.522 178.550 176.094 -0.110 0.000 1.068 207 V CA 2.224 64.446 62.300 -0.129 0.000 1.070 207 V CB -1.000 30.752 31.823 -0.118 0.000 0.664 207 V HN 0.543 nan 8.190 nan 0.000 0.461 208 T N 0.979 115.469 114.554 -0.107 0.000 2.698 208 T HA -0.175 4.203 4.350 0.047 0.000 0.260 208 T C 1.850 176.500 174.700 -0.083 0.000 1.044 208 T CA 1.609 63.659 62.100 -0.084 0.000 1.149 208 T CB -0.333 68.490 68.868 -0.075 0.000 0.864 208 T HN 0.670 nan 8.240 nan 0.000 0.419 209 R N 0.977 121.424 120.500 -0.089 0.000 2.357 209 R HA 0.042 4.410 4.340 0.047 0.000 0.202 209 R C 0.117 176.336 176.300 -0.135 0.000 1.047 209 R CA 0.494 56.537 56.100 -0.095 0.000 1.034 209 R CB -1.093 29.160 30.300 -0.080 0.000 0.875 209 R HN 0.280 nan 8.270 nan 0.000 0.473 210 C N 3.484 122.695 119.300 -0.148 0.000 2.116 210 C HA 0.299 4.787 4.460 0.047 0.000 0.367 210 C C -1.125 173.791 174.990 -0.124 0.000 1.039 210 C CA -1.585 57.330 59.018 -0.171 0.000 1.465 210 C CB 0.841 28.453 27.740 -0.214 0.000 1.783 210 C HN 0.370 nan 8.230 nan 0.000 0.470 211 P HA -0.100 nan 4.420 nan 0.000 0.222 211 P C 0.727 177.981 177.300 -0.076 0.000 1.147 211 P CA 1.414 64.465 63.100 -0.081 0.000 0.790 211 P CB 0.195 31.852 31.700 -0.072 0.000 0.780 212 N N -0.284 118.362 118.700 -0.090 0.000 2.270 212 N HA 0.058 4.826 4.740 0.047 0.000 0.198 212 N C 0.501 175.969 175.510 -0.069 0.000 1.117 212 N CA -0.290 52.715 53.050 -0.074 0.000 0.845 212 N CB 0.075 38.517 38.487 -0.075 0.000 0.980 212 N HN 0.157 nan 8.380 nan 0.000 0.486 213 L N 1.444 122.622 121.223 -0.076 0.000 2.534 213 L HA -0.001 4.367 4.340 0.047 0.000 0.271 213 L C 1.012 177.854 176.870 -0.047 0.000 1.178 213 L CA 0.913 55.715 54.840 -0.064 0.000 0.907 213 L CB 0.466 42.482 42.059 -0.072 0.000 1.164 213 L HN -0.110 nan 8.230 nan 0.000 0.482 214 K N 1.757 122.134 120.400 -0.037 0.000 2.464 214 K HA 0.238 4.586 4.320 0.047 0.000 0.206 214 K C -0.323 176.261 176.600 -0.026 0.000 1.186 214 K CA 0.073 56.341 56.287 -0.032 0.000 0.990 214 K CB 0.767 33.248 32.500 -0.032 0.000 1.003 214 K HN 0.604 nan 8.250 nan 0.000 0.562 215 S N 0.962 116.649 115.700 -0.022 0.000 2.677 215 S HA 0.532 5.030 4.470 0.047 0.000 0.283 215 S C -2.035 172.561 174.600 -0.007 0.000 1.159 215 S CA -0.764 57.426 58.200 -0.018 0.000 1.001 215 S CB 0.912 64.101 63.200 -0.017 0.000 1.032 215 S HN 0.130 nan 8.310 nan 0.000 0.487 216 L N 4.859 126.079 121.223 -0.005 0.000 2.436 216 L HA 0.739 5.107 4.340 0.047 0.000 0.268 216 L C -1.580 175.301 176.870 0.019 0.000 0.974 216 L CA -0.115 54.732 54.840 0.011 0.000 0.826 216 L CB 1.634 43.695 42.059 0.003 0.000 1.291 216 L HN 0.664 nan 8.230 nan 0.000 0.406 217 K N 6.180 126.609 120.400 0.049 0.000 2.507 217 K HA 0.621 4.969 4.320 0.047 0.000 0.251 217 K C -1.563 175.110 176.600 0.121 0.000 0.943 217 K CA -0.638 55.687 56.287 0.064 0.000 0.794 217 K CB 2.428 34.961 32.500 0.056 0.000 1.188 217 K HN 0.547 nan 8.250 nan 0.000 0.428 218 L N 2.345 123.665 121.223 0.161 0.000 2.319 218 L HA 0.433 4.801 4.340 0.047 0.000 0.267 218 L C -0.052 176.948 176.870 0.217 0.000 1.011 218 L CA -1.203 53.739 54.840 0.170 0.000 0.818 218 L CB 1.713 43.862 42.059 0.150 0.000 1.316 218 L HN 0.742 nan 8.230 nan 0.000 0.432 219 N N 0.905 119.666 118.700 0.102 0.000 2.463 219 N HA 0.132 4.900 4.740 0.047 0.000 0.270 219 N C 0.526 175.868 175.510 -0.280 0.000 1.205 219 N CA -0.532 52.465 53.050 -0.088 0.000 0.974 219 N CB 0.821 39.251 38.487 -0.095 0.000 1.197 219 N HN 0.502 nan 8.380 nan 0.000 0.504 220 R N 0.152 120.164 120.500 -0.814 0.000 2.185 220 R HA -0.170 4.198 4.340 0.047 0.000 0.247 220 R C 1.266 177.374 176.300 -0.320 0.000 1.159 220 R CA 1.763 57.387 56.100 -0.794 0.000 0.988 220 R CB -0.498 29.150 30.300 -1.086 0.000 0.871 220 R HN 0.768 nan 8.270 nan 0.000 0.458 221 A N -0.040 122.649 122.820 -0.219 0.000 2.238 221 A HA 0.098 4.446 4.320 0.047 0.000 0.208 221 A C 0.429 177.975 177.584 -0.064 0.000 1.177 221 A CA 0.132 52.096 52.037 -0.122 0.000 0.804 221 A CB 0.472 19.427 19.000 -0.075 0.000 0.823 221 A HN 0.069 nan 8.150 nan 0.000 0.482 222 V N 3.680 123.572 119.914 -0.038 0.000 2.318 222 V HA 0.235 4.382 4.120 0.047 0.000 0.271 222 V C -2.139 173.936 176.094 -0.032 0.000 1.030 222 V CA -1.784 60.521 62.300 0.008 0.000 0.844 222 V CB 1.320 33.199 31.823 0.094 0.000 1.015 222 V HN 0.324 nan 8.190 nan 0.000 0.460 223 P HA 0.082 nan 4.420 nan 0.000 0.274 223 P C 0.773 177.993 177.300 -0.134 0.000 1.231 223 P CA -0.412 62.620 63.100 -0.114 0.000 0.790 223 P CB 1.581 33.192 31.700 -0.147 0.000 0.951 224 L N 3.124 124.255 121.223 -0.153 0.000 2.042 224 L HA -0.186 4.182 4.340 0.047 0.000 0.210 224 L C 2.092 178.809 176.870 -0.255 0.000 1.076 224 L CA 1.962 56.665 54.840 -0.229 0.000 0.749 224 L CB -1.626 40.175 42.059 -0.430 0.000 0.893 224 L HN 0.366 nan 8.230 nan 0.000 0.432 225 E N -0.474 119.571 120.200 -0.258 0.000 2.339 225 E HA -0.223 4.155 4.350 0.047 0.000 0.201 225 E C 1.516 177.995 176.600 -0.201 0.000 1.015 225 E CA 1.215 57.482 56.400 -0.222 0.000 0.841 225 E CB -0.035 29.548 29.700 -0.195 0.000 0.754 225 E HN 0.492 nan 8.360 nan 0.000 0.508 226 K N -0.282 119.983 120.400 -0.225 0.000 2.355 226 K HA 0.138 4.486 4.320 0.047 0.000 0.198 226 K C 1.786 178.359 176.600 -0.045 0.000 1.039 226 K CA -0.146 55.983 56.287 -0.262 0.000 1.075 226 K CB 0.423 32.485 32.500 -0.730 0.000 0.870 226 K HN 0.175 nan 8.250 nan 0.000 0.540 227 L N 1.173 122.367 121.223 -0.048 0.000 2.012 227 L HA -0.235 4.133 4.340 0.047 0.000 0.210 227 L C 2.343 179.233 176.870 0.033 0.000 1.073 227 L CA 1.620 56.473 54.840 0.021 0.000 0.748 227 L CB -0.415 41.640 42.059 -0.006 0.000 0.891 227 L HN 0.145 nan 8.230 nan 0.000 0.431 228 A N -0.833 121.983 122.820 -0.007 0.000 1.908 228 A HA -0.237 4.111 4.320 0.047 0.000 0.218 228 A C 2.215 179.817 177.584 0.029 0.000 1.181 228 A CA 2.413 54.447 52.037 -0.004 0.000 0.627 228 A CB -0.972 18.009 19.000 -0.031 0.000 0.818 228 A HN 0.469 nan 8.150 nan 0.000 0.445 229 T N 0.554 115.144 114.554 0.061 0.000 2.720 229 T HA -0.122 4.256 4.350 0.047 0.000 0.268 229 T C 1.809 176.569 174.700 0.100 0.000 1.037 229 T CA 1.632 63.792 62.100 0.101 0.000 1.144 229 T CB -0.410 68.579 68.868 0.201 0.000 0.864 229 T HN 0.389 nan 8.240 nan 0.000 0.444 230 L N 0.329 121.633 121.223 0.135 0.000 2.044 230 L HA 0.026 4.394 4.340 0.047 0.000 0.205 230 L C 2.524 179.410 176.870 0.026 0.000 1.075 230 L CA 0.965 55.840 54.840 0.058 0.000 0.747 230 L CB -0.686 41.414 42.059 0.068 0.000 0.903 230 L HN 0.218 nan 8.230 nan 0.000 0.435 231 L N -0.295 120.947 121.223 0.033 0.000 2.081 231 L HA -0.243 4.125 4.340 0.047 0.000 0.212 231 L C 2.877 179.750 176.870 0.006 0.000 1.080 231 L CA 1.225 56.074 54.840 0.014 0.000 0.754 231 L CB -0.741 41.327 42.059 0.014 0.000 0.893 231 L HN 0.436 nan 8.230 nan 0.000 0.433 232 Q N -0.115 119.691 119.800 0.011 0.000 2.170 232 Q HA -0.142 4.226 4.340 0.047 0.000 0.203 232 Q C 2.033 178.030 176.000 -0.005 0.000 0.976 232 Q CA 0.845 56.650 55.803 0.004 0.000 0.858 232 Q CB -0.366 28.376 28.738 0.007 0.000 0.907 232 Q HN 0.490 nan 8.270 nan 0.000 0.433 233 R N 0.596 121.090 120.500 -0.009 0.000 2.280 233 R HA 0.082 4.450 4.340 0.047 0.000 0.207 233 R C 0.655 176.936 176.300 -0.033 0.000 1.043 233 R CA 0.725 56.809 56.100 -0.027 0.000 1.006 233 R CB -0.022 30.252 30.300 -0.044 0.000 0.885 233 R HN 0.166 nan 8.270 nan 0.000 0.467 234 A N 1.481 124.286 122.820 -0.025 0.000 3.308 234 A HA 0.316 4.663 4.320 0.047 0.000 0.275 234 A C -1.953 175.618 177.584 -0.021 0.000 0.950 234 A CA -0.859 51.160 52.037 -0.029 0.000 0.987 234 A CB 0.827 19.809 19.000 -0.030 0.000 1.146 234 A HN -0.091 nan 8.150 nan 0.000 0.488 235 P HA -0.118 nan 4.420 nan 0.000 0.237 235 P C 0.872 178.164 177.300 -0.013 0.000 1.178 235 P CA 0.719 63.812 63.100 -0.012 0.000 0.766 235 P CB 0.328 32.022 31.700 -0.010 0.000 0.876 236 Q N -0.687 119.102 119.800 -0.019 0.000 2.425 236 Q HA 0.040 4.408 4.340 0.047 0.000 0.204 236 Q C 0.654 176.642 176.000 -0.020 0.000 0.933 236 Q CA -0.174 55.617 55.803 -0.020 0.000 0.939 236 Q CB -1.097 27.625 28.738 -0.025 0.000 1.044 236 Q HN 0.115 nan 8.270 nan 0.000 0.513 237 L N 3.045 124.256 121.223 -0.019 0.000 2.822 237 L HA -0.153 4.215 4.340 0.047 0.000 0.288 237 L C 1.296 178.156 176.870 -0.016 0.000 1.182 237 L CA 0.946 55.775 54.840 -0.019 0.000 0.936 237 L CB 0.024 42.073 42.059 -0.015 0.000 1.269 237 L HN 0.251 nan 8.230 nan 0.000 0.476 238 E N 1.728 121.916 120.200 -0.020 0.000 2.216 238 E HA -0.050 4.328 4.350 0.047 0.000 0.192 238 E C 0.124 176.710 176.600 -0.022 0.000 0.988 238 E CA 0.838 57.226 56.400 -0.019 0.000 0.834 238 E CB 0.325 30.012 29.700 -0.022 0.000 0.772 238 E HN 0.758 nan 8.360 nan 0.000 0.479 239 E N -0.187 119.998 120.200 -0.026 0.000 2.366 239 E HA 0.449 4.827 4.350 0.047 0.000 0.278 239 E C -1.546 175.033 176.600 -0.035 0.000 0.923 239 E CA -0.985 55.395 56.400 -0.034 0.000 0.761 239 E CB 1.605 31.277 29.700 -0.045 0.000 1.231 239 E HN -0.045 nan 8.360 nan 0.000 0.443 240 L N 1.158 122.353 121.223 -0.048 0.000 2.431 240 L HA 0.822 5.189 4.340 0.047 0.000 0.266 240 L C -1.102 175.709 176.870 -0.099 0.000 0.978 240 L CA -0.082 54.726 54.840 -0.053 0.000 0.822 240 L CB 2.291 44.324 42.059 -0.044 0.000 1.310 240 L HN 0.746 nan 8.230 nan 0.000 0.409 241 G N 1.736 110.487 108.800 -0.083 0.000 2.544 241 G HA2 0.535 4.523 3.960 0.047 0.000 0.313 241 G HA3 0.535 4.523 3.960 0.047 0.000 0.313 241 G C -0.182 174.656 174.900 -0.103 0.000 1.316 241 G CA 0.128 45.143 45.100 -0.142 0.000 0.944 241 G HN 0.900 nan 8.290 nan 0.000 0.489 242 T N 0.321 114.725 114.554 -0.251 0.000 2.773 242 T HA 0.700 5.078 4.350 0.047 0.000 0.337 242 T C 1.008 175.808 174.700 0.166 0.000 1.086 242 T CA 0.401 62.445 62.100 -0.093 0.000 0.998 242 T CB 1.217 69.958 68.868 -0.212 0.000 1.281 242 T HN 0.888 nan 8.240 nan 0.000 0.525 243 G N -1.380 107.579 108.800 0.265 0.000 3.257 243 G HA2 0.618 4.606 3.960 0.047 0.000 0.205 243 G HA3 0.618 4.606 3.960 0.047 0.000 0.205 243 G C 0.380 175.521 174.900 0.403 0.000 1.234 243 G CA -0.620 44.659 45.100 0.299 0.000 0.918 243 G HN 1.008 nan 8.290 nan 0.000 0.602 244 G N -1.662 107.251 108.800 0.187 0.000 2.460 244 G HA2 0.220 4.208 3.960 0.047 0.000 0.230 244 G HA3 0.220 4.208 3.960 0.047 0.000 0.230 244 G C -0.564 174.496 174.900 0.267 0.000 1.248 244 G CA 0.372 45.595 45.100 0.204 0.000 0.863 244 G HN 0.590 nan 8.290 nan 0.000 0.549 245 Y N 0.876 121.260 120.300 0.139 0.000 2.685 245 Y HA 0.428 5.002 4.550 0.040 0.000 0.257 245 Y C 0.670 176.617 175.900 0.077 0.000 1.053 245 Y CA -0.331 57.832 58.100 0.106 0.000 1.106 245 Y CB 0.794 39.388 38.460 0.224 0.000 1.193 245 Y HN 0.681 nan 8.280 nan 0.000 0.602 246 T N 0.893 115.451 114.554 0.006 0.000 2.916 246 T HA 0.930 5.308 4.350 0.047 0.000 0.292 246 T C -1.452 173.170 174.700 -0.129 0.000 1.064 246 T CA 0.011 62.103 62.100 -0.014 0.000 1.011 246 T CB 1.398 70.318 68.868 0.087 0.000 1.152 246 T HN 0.440 nan 8.240 nan 0.000 0.510 247 A N 2.020 124.810 122.820 -0.050 0.000 2.571 247 A HA 0.508 4.856 4.320 0.047 0.000 0.296 247 A C -0.967 176.690 177.584 0.122 0.000 1.005 247 A CA -0.760 51.245 52.037 -0.054 0.000 0.682 247 A CB 0.634 19.463 19.000 -0.285 0.000 1.292 247 A HN 0.720 nan 8.150 nan 0.000 0.420 248 E N 0.684 120.936 120.200 0.086 0.000 2.708 248 E HA 0.106 4.484 4.350 0.047 0.000 0.260 248 E C -0.067 176.667 176.600 0.222 0.000 0.937 248 E CA 0.487 56.954 56.400 0.112 0.000 0.953 248 E CB 0.501 30.238 29.700 0.062 0.000 0.915 248 E HN 0.435 nan 8.360 nan 0.000 0.487 249 V N 6.165 126.166 119.914 0.145 0.000 2.479 249 V HA 0.079 4.227 4.120 0.047 0.000 0.281 249 V C 0.555 176.669 176.094 0.033 0.000 1.031 249 V CA 0.595 62.910 62.300 0.025 0.000 1.038 249 V CB 0.039 31.787 31.823 -0.125 0.000 0.981 249 V HN 0.541 nan 8.190 nan 0.000 0.478 250 R N 5.044 125.597 120.500 0.088 0.000 2.604 250 R HA 0.363 4.731 4.340 0.047 0.000 0.270 250 R C -2.442 173.915 176.300 0.096 0.000 1.052 250 R CA -1.476 54.673 56.100 0.082 0.000 0.902 250 R CB 2.174 32.539 30.300 0.108 0.000 1.233 250 R HN 0.324 nan 8.270 nan 0.000 0.455 251 P HA -0.029 nan 4.420 nan 0.000 0.245 251 P C 0.138 177.509 177.300 0.119 0.000 1.203 251 P CA 0.530 63.678 63.100 0.080 0.000 0.792 251 P CB 0.289 31.993 31.700 0.007 0.000 0.997 252 D N 0.460 120.912 120.400 0.087 0.000 2.092 252 D HA -0.148 4.520 4.640 0.047 0.000 0.193 252 D C 1.851 178.208 176.300 0.095 0.000 0.994 252 D CA 1.141 55.185 54.000 0.074 0.000 0.828 252 D CB -1.462 39.365 40.800 0.045 0.000 0.963 252 D HN 0.012 nan 8.370 nan 0.000 0.450 253 V N 0.365 120.348 119.914 0.116 0.000 2.233 253 V HA -0.301 3.847 4.120 0.047 0.000 0.247 253 V C 2.493 178.704 176.094 0.195 0.000 1.050 253 V CA 1.983 64.353 62.300 0.116 0.000 1.010 253 V CB -1.053 30.843 31.823 0.121 0.000 0.637 253 V HN 0.196 nan 8.190 nan 0.000 0.444 254 Y N 1.028 121.480 120.300 0.254 0.000 2.165 254 Y HA -0.296 4.272 4.550 0.030 0.000 0.286 254 Y C 2.903 178.863 175.900 0.099 0.000 1.155 254 Y CA 2.117 60.362 58.100 0.241 0.000 1.164 254 Y CB -0.265 38.231 38.460 0.059 0.000 0.978 254 Y HN 0.270 nan 8.280 nan 0.000 0.513 255 S N -0.214 115.653 115.700 0.278 0.000 2.383 255 S HA -0.094 4.404 4.470 0.047 0.000 0.227 255 S C 2.241 176.858 174.600 0.030 0.000 1.026 255 S CA 1.281 59.588 58.200 0.179 0.000 0.981 255 S CB -1.137 62.163 63.200 0.166 0.000 0.818 255 S HN 0.663 nan 8.310 nan 0.000 0.472 256 G N 1.774 110.583 108.800 0.016 0.000 2.422 256 G HA2 -0.050 3.938 3.960 0.047 0.000 0.218 256 G HA3 -0.050 3.938 3.960 0.047 0.000 0.218 256 G C 1.470 176.339 174.900 -0.050 0.000 1.146 256 G CA 0.716 45.809 45.100 -0.012 0.000 0.769 256 G HN 0.472 nan 8.290 nan 0.000 0.547 257 L N 0.494 121.655 121.223 -0.104 0.000 1.955 257 L HA -0.140 4.228 4.340 0.047 0.000 0.213 257 L C 3.057 179.836 176.870 -0.152 0.000 1.072 257 L CA 1.956 56.709 54.840 -0.145 0.000 0.755 257 L CB -0.686 41.232 42.059 -0.235 0.000 0.888 257 L HN 0.365 nan 8.230 nan 0.000 0.432 258 S N -0.924 114.621 115.700 -0.258 0.000 2.374 258 S HA -0.178 4.320 4.470 0.047 0.000 0.227 258 S C 1.824 176.394 174.600 -0.051 0.000 1.037 258 S CA 1.634 59.722 58.200 -0.187 0.000 1.024 258 S CB -0.116 62.984 63.200 -0.167 0.000 0.861 258 S HN 0.270 nan 8.310 nan 0.000 0.456 259 V N 1.644 121.540 119.914 -0.030 0.000 2.346 259 V HA -0.033 4.115 4.120 0.047 0.000 0.244 259 V C 2.766 178.859 176.094 -0.002 0.000 1.037 259 V CA 1.495 63.795 62.300 0.001 0.000 1.029 259 V CB -1.365 30.466 31.823 0.012 0.000 0.663 259 V HN 0.578 nan 8.190 nan 0.000 0.454 260 A N 0.154 122.968 122.820 -0.011 0.000 1.884 260 A HA -0.242 4.106 4.320 0.047 0.000 0.219 260 A C 2.237 179.821 177.584 0.000 0.000 1.197 260 A CA 2.255 54.288 52.037 -0.005 0.000 0.637 260 A CB -0.699 18.295 19.000 -0.010 0.000 0.827 260 A HN 0.488 nan 8.150 nan 0.000 0.450 261 L N 0.117 121.339 121.223 -0.003 0.000 1.976 261 L HA -0.214 4.154 4.340 0.047 0.000 0.209 261 L C 2.980 179.862 176.870 0.020 0.000 1.071 261 L CA 1.814 56.662 54.840 0.013 0.000 0.746 261 L CB -0.676 41.394 42.059 0.019 0.000 0.890 261 L HN 0.538 nan 8.230 nan 0.000 0.432 262 S N 0.047 115.760 115.700 0.021 0.000 2.440 262 S HA -0.147 4.351 4.470 0.047 0.000 0.238 262 S C 2.046 176.658 174.600 0.020 0.000 1.010 262 S CA 0.943 59.160 58.200 0.028 0.000 0.972 262 S CB -1.126 62.094 63.200 0.032 0.000 0.774 262 S HN 0.552 nan 8.310 nan 0.000 0.501 263 G N 1.041 109.849 108.800 0.014 0.000 2.450 263 G HA2 -0.191 3.797 3.960 0.047 0.000 0.220 263 G HA3 -0.191 3.797 3.960 0.047 0.000 0.220 263 G C 0.530 175.435 174.900 0.008 0.000 1.130 263 G CA 0.862 45.968 45.100 0.009 0.000 0.760 263 G HN 0.631 nan 8.290 nan 0.000 0.557 264 C N 2.348 121.654 119.300 0.010 0.000 2.158 264 C HA 0.406 4.894 4.460 0.047 0.000 0.350 264 C C 1.338 176.334 174.990 0.010 0.000 1.064 264 C CA -1.249 57.773 59.018 0.007 0.000 1.507 264 C CB 0.122 27.866 27.740 0.006 0.000 1.934 264 C HN 0.304 nan 8.230 nan 0.000 0.479 265 K N 1.192 121.596 120.400 0.007 0.000 2.459 265 K HA -0.010 4.338 4.320 0.047 0.000 0.193 265 K C 1.058 177.661 176.600 0.006 0.000 1.030 265 K CA 0.719 57.011 56.287 0.009 0.000 1.026 265 K CB 0.325 32.829 32.500 0.007 0.000 0.809 265 K HN 0.665 nan 8.250 nan 0.000 0.504 266 E N 0.763 120.964 120.200 0.001 0.000 2.452 266 E HA 0.114 4.492 4.350 0.047 0.000 0.197 266 E C 0.725 177.323 176.600 -0.003 0.000 1.022 266 E CA -0.188 56.211 56.400 -0.003 0.000 0.890 266 E CB 0.123 29.819 29.700 -0.008 0.000 0.918 266 E HN 0.208 nan 8.360 nan 0.000 0.496 267 L N 2.218 123.441 121.223 0.001 0.000 2.678 267 L HA -0.138 4.230 4.340 0.047 0.000 0.285 267 L C 1.469 178.341 176.870 0.003 0.000 1.233 267 L CA 0.541 55.383 54.840 0.003 0.000 0.920 267 L CB 0.316 42.383 42.059 0.013 0.000 1.176 267 L HN -0.070 nan 8.230 nan 0.000 0.495 268 R N 1.554 122.050 120.500 -0.005 0.000 2.513 268 R HA 0.244 4.612 4.340 0.047 0.000 0.245 268 R C -0.587 175.704 176.300 -0.014 0.000 0.908 268 R CA 0.129 56.225 56.100 -0.007 0.000 1.023 268 R CB 0.474 30.766 30.300 -0.014 0.000 1.338 268 R HN 0.503 nan 8.270 nan 0.000 0.575 269 C N 1.778 121.065 119.300 -0.021 0.000 2.431 269 C HA 0.622 5.110 4.460 0.047 0.000 0.321 269 C C -0.259 174.710 174.990 -0.035 0.000 1.202 269 C CA -0.805 58.190 59.018 -0.039 0.000 1.398 269 C CB 1.559 29.260 27.740 -0.065 0.000 2.047 269 C HN 0.222 nan 8.230 nan 0.000 0.465 270 L N 3.502 124.714 121.223 -0.019 0.000 2.381 270 L HA 0.845 5.213 4.340 0.047 0.000 0.268 270 L C 0.073 176.929 176.870 -0.023 0.000 0.997 270 L CA 0.361 55.203 54.840 0.004 0.000 0.818 270 L CB 2.116 44.260 42.059 0.142 0.000 1.310 270 L HN 0.977 nan 8.230 nan 0.000 0.416 271 S N 1.066 116.652 115.700 -0.191 0.000 2.703 271 S HA 0.946 5.444 4.470 0.047 0.000 0.273 271 S C -0.276 173.946 174.600 -0.630 0.000 1.178 271 S CA -0.007 58.043 58.200 -0.250 0.000 0.838 271 S CB 1.805 64.881 63.200 -0.206 0.000 1.178 271 S HN 1.197 nan 8.310 nan 0.000 0.494 272 G N 0.584 109.065 108.800 -0.532 0.000 2.731 272 G HA2 0.137 4.125 3.960 0.047 0.000 0.218 272 G HA3 0.137 4.125 3.960 0.047 0.000 0.218 272 G C 0.186 174.723 174.900 -0.604 0.000 1.349 272 G CA 0.075 44.718 45.100 -0.763 0.000 1.225 272 G HN 1.804 nan 8.290 nan 0.000 0.526 273 F N -0.315 119.468 119.950 -0.278 0.000 2.965 273 F HA -0.123 4.430 4.527 0.043 0.000 0.287 273 F C 0.779 176.568 175.800 -0.017 0.000 0.790 273 F CA 0.371 58.214 58.000 -0.263 0.000 1.279 273 F CB -1.353 37.426 39.000 -0.368 0.000 1.409 273 F HN 0.493 nan 8.300 nan 0.000 0.446 274 W N 3.046 124.471 121.300 0.209 0.000 2.257 274 W HA 0.055 4.744 4.660 0.049 0.000 0.337 274 W C 1.189 177.812 176.519 0.175 0.000 1.321 274 W CA 1.011 58.449 57.345 0.155 0.000 1.267 274 W CB 0.156 29.638 29.460 0.036 0.000 1.187 274 W HN 0.253 nan 8.180 nan 0.000 0.565 275 D N -0.050 120.578 120.400 0.380 0.000 2.882 275 D HA -0.185 4.483 4.640 0.047 0.000 0.229 275 D C 0.448 176.915 176.300 0.279 0.000 1.167 275 D CA 1.123 55.283 54.000 0.267 0.000 0.759 275 D CB -1.515 39.415 40.800 0.217 0.000 1.088 275 D HN 0.385 nan 8.370 nan 0.000 0.425 276 A N 0.125 123.133 122.820 0.314 0.000 2.561 276 A HA 0.268 4.616 4.320 0.047 0.000 0.234 276 A C 0.654 178.420 177.584 0.304 0.000 1.055 276 A CA 0.109 52.389 52.037 0.404 0.000 0.756 276 A CB 0.710 19.895 19.000 0.310 0.000 0.986 276 A HN 0.143 nan 8.150 nan 0.000 0.505 277 V N 5.992 126.129 119.914 0.373 0.000 2.370 277 V HA 0.200 4.348 4.120 0.047 0.000 0.279 277 V C -1.358 174.877 176.094 0.236 0.000 1.029 277 V CA -0.890 61.567 62.300 0.261 0.000 0.870 277 V CB 1.340 33.344 31.823 0.301 0.000 0.984 277 V HN 0.862 nan 8.190 nan 0.000 0.451 278 P HA -0.229 nan 4.420 nan 0.000 0.215 278 P C 1.667 179.021 177.300 0.091 0.000 1.157 278 P CA 1.920 65.082 63.100 0.104 0.000 0.874 278 P CB 0.141 31.876 31.700 0.059 0.000 0.790 279 A N -1.650 121.182 122.820 0.020 0.000 2.038 279 A HA -0.274 4.074 4.320 0.047 0.000 0.224 279 A C 1.937 179.455 177.584 -0.112 0.000 1.190 279 A CA 2.127 54.098 52.037 -0.110 0.000 0.668 279 A CB -2.024 16.833 19.000 -0.239 0.000 0.820 279 A HN 0.322 nan 8.150 nan 0.000 0.474 280 Y N -1.665 118.718 120.300 0.139 0.000 2.458 280 Y HA 0.298 4.874 4.550 0.042 0.000 0.256 280 Y C 1.843 177.897 175.900 0.256 0.000 1.159 280 Y CA -0.130 58.058 58.100 0.147 0.000 1.261 280 Y CB 0.192 38.589 38.460 -0.105 0.000 1.119 280 Y HN 0.180 nan 8.280 nan 0.000 0.524 281 L N 0.504 121.963 121.223 0.393 0.000 2.046 281 L HA -0.143 4.225 4.340 0.047 0.000 0.208 281 L C -0.685 176.102 176.870 -0.140 0.000 1.077 281 L CA 1.170 56.120 54.840 0.184 0.000 0.747 281 L CB -1.422 40.651 42.059 0.023 0.000 0.896 281 L HN 0.120 nan 8.230 nan 0.000 0.432 282 P HA -0.159 nan 4.420 nan 0.000 0.220 282 P C 1.449 178.293 177.300 -0.759 0.000 1.148 282 P CA 1.429 63.827 63.100 -1.171 0.000 0.803 282 P CB -0.053 31.374 31.700 -0.456 0.000 0.782 283 A N 0.203 122.911 122.820 -0.187 0.000 2.009 283 A HA -0.227 4.121 4.320 0.047 0.000 0.222 283 A C 2.011 179.513 177.584 -0.135 0.000 1.175 283 A CA 2.271 54.115 52.037 -0.321 0.000 0.651 283 A CB -1.919 16.762 19.000 -0.531 0.000 0.815 283 A HN 0.281 nan 8.150 nan 0.000 0.459 284 V N -3.999 115.855 119.914 -0.101 0.000 3.623 284 V HA 0.024 4.172 4.120 0.047 0.000 0.274 284 V C 1.572 177.793 176.094 0.211 0.000 1.244 284 V CA 0.784 63.134 62.300 0.083 0.000 1.182 284 V CB -1.417 30.501 31.823 0.159 0.000 0.925 284 V HN 0.469 nan 8.190 nan 0.000 0.462 285 Y N 1.931 122.272 120.300 0.069 0.000 2.347 285 Y HA 0.068 4.631 4.550 0.021 0.000 0.294 285 Y C 2.972 178.897 175.900 0.041 0.000 1.117 285 Y CA 0.606 58.737 58.100 0.052 0.000 1.184 285 Y CB -1.017 37.480 38.460 0.063 0.000 1.047 285 Y HN 0.545 nan 8.280 nan 0.000 0.546 286 S N -0.354 115.468 115.700 0.204 0.000 2.387 286 S HA -0.185 4.313 4.470 0.047 0.000 0.230 286 S C 2.099 176.752 174.600 0.088 0.000 1.035 286 S CA 1.569 59.839 58.200 0.117 0.000 1.014 286 S CB -1.272 61.980 63.200 0.086 0.000 0.836 286 S HN 0.169 nan 8.310 nan 0.000 0.466 287 V N 1.637 121.610 119.914 0.098 0.000 2.343 287 V HA -0.227 3.921 4.120 0.047 0.000 0.247 287 V C 2.783 178.920 176.094 0.072 0.000 1.051 287 V CA 1.627 63.974 62.300 0.079 0.000 1.036 287 V CB -1.372 30.506 31.823 0.092 0.000 0.654 287 V HN 0.688 nan 8.190 nan 0.000 0.451 288 C N 0.935 120.293 119.300 0.097 0.000 2.389 288 C HA -0.142 4.346 4.460 0.047 0.000 0.294 288 C C 2.754 177.756 174.990 0.020 0.000 1.318 288 C CA 1.622 60.677 59.018 0.061 0.000 1.822 288 C CB -1.565 26.200 27.740 0.042 0.000 1.938 288 C HN 0.801 nan 8.230 nan 0.000 0.531 289 S N -0.040 115.671 115.700 0.018 0.000 2.632 289 S HA 0.066 4.564 4.470 0.047 0.000 0.237 289 S C 1.347 175.949 174.600 0.004 0.000 1.037 289 S CA -0.373 57.827 58.200 -0.000 0.000 1.009 289 S CB -0.264 62.934 63.200 -0.004 0.000 0.974 289 S HN 0.814 nan 8.310 nan 0.000 0.544 290 R N 0.173 120.680 120.500 0.011 0.000 2.362 290 R HA 0.447 4.815 4.340 0.047 0.000 0.227 290 R C -0.213 176.091 176.300 0.007 0.000 0.905 290 R CA -0.504 55.601 56.100 0.008 0.000 1.067 290 R CB -0.330 29.977 30.300 0.011 0.000 1.078 290 R HN 0.283 nan 8.270 nan 0.000 0.516 291 L N 2.968 124.197 121.223 0.009 0.000 2.313 291 L HA 0.152 4.520 4.340 0.047 0.000 0.282 291 L C 1.086 177.957 176.870 0.001 0.000 1.092 291 L CA 0.409 55.255 54.840 0.009 0.000 0.831 291 L CB 1.752 43.823 42.059 0.020 0.000 1.159 291 L HN 0.303 nan 8.230 nan 0.000 0.442 292 T N -1.022 113.529 114.554 -0.006 0.000 2.953 292 T HA 0.109 4.487 4.350 0.047 0.000 0.247 292 T C 0.753 175.443 174.700 -0.016 0.000 1.029 292 T CA 0.334 62.428 62.100 -0.009 0.000 1.144 292 T CB -0.084 68.778 68.868 -0.011 0.000 0.870 292 T HN 0.504 nan 8.240 nan 0.000 0.446 293 T N 2.619 117.152 114.554 -0.035 0.000 2.797 293 T HA 0.708 5.086 4.350 0.047 0.000 0.279 293 T C -1.361 173.305 174.700 -0.058 0.000 0.991 293 T CA -0.588 61.471 62.100 -0.069 0.000 0.979 293 T CB 1.811 70.604 68.868 -0.124 0.000 0.943 293 T HN 0.204 nan 8.240 nan 0.000 0.444 294 L N 3.586 124.778 121.223 -0.052 0.000 2.410 294 L HA 0.672 5.040 4.340 0.047 0.000 0.270 294 L C -1.068 175.776 176.870 -0.043 0.000 0.983 294 L CA -0.556 54.269 54.840 -0.024 0.000 0.822 294 L CB 2.010 44.072 42.059 0.006 0.000 1.285 294 L HN 0.503 nan 8.230 nan 0.000 0.409 295 N N 4.658 123.337 118.700 -0.034 0.000 2.573 295 N HA 0.350 5.118 4.740 0.047 0.000 0.262 295 N C -0.624 174.899 175.510 0.022 0.000 1.029 295 N CA -0.236 52.791 53.050 -0.039 0.000 0.882 295 N CB 0.783 39.139 38.487 -0.218 0.000 1.204 295 N HN 0.722 nan 8.380 nan 0.000 0.519 296 L N 1.741 122.975 121.223 0.017 0.000 2.741 296 L HA 0.231 4.599 4.340 0.047 0.000 0.237 296 L C 1.732 178.550 176.870 -0.086 0.000 1.178 296 L CA -0.060 54.761 54.840 -0.032 0.000 0.973 296 L CB 0.045 42.059 42.059 -0.075 0.000 1.255 296 L HN 0.390 nan 8.230 nan 0.000 0.498 297 S N 0.191 115.777 115.700 -0.190 0.000 2.393 297 S HA -0.251 4.247 4.470 0.047 0.000 0.234 297 S C 1.487 175.797 174.600 -0.484 0.000 1.064 297 S CA 2.069 60.018 58.200 -0.418 0.000 1.088 297 S CB -0.300 62.400 63.200 -0.834 0.000 0.939 297 S HN 0.557 nan 8.310 nan 0.000 0.448 298 Y N 0.557 120.776 120.300 -0.135 0.000 2.466 298 Y HA 0.510 5.088 4.550 0.046 0.000 0.272 298 Y C 0.919 176.804 175.900 -0.024 0.000 1.169 298 Y CA -0.210 57.815 58.100 -0.125 0.000 1.285 298 Y CB -0.106 38.162 38.460 -0.320 0.000 1.078 298 Y HN 0.146 nan 8.280 nan 0.000 0.523 299 A N 1.461 124.333 122.820 0.086 0.000 2.347 299 A HA 0.329 4.677 4.320 0.047 0.000 0.287 299 A C 0.570 178.220 177.584 0.110 0.000 1.199 299 A CA -0.226 51.863 52.037 0.087 0.000 0.851 299 A CB -0.354 18.632 19.000 -0.024 0.000 1.118 299 A HN 0.313 nan 8.150 nan 0.000 0.525 300 T N 0.913 115.535 114.554 0.113 0.000 3.281 300 T HA 0.522 4.900 4.350 0.047 0.000 0.359 300 T C -0.545 174.064 174.700 -0.151 0.000 1.459 300 T CA -0.525 61.622 62.100 0.079 0.000 1.114 300 T CB -0.228 68.740 68.868 0.167 0.000 1.162 300 T HN 0.453 nan 8.240 nan 0.000 0.665 301 V N 4.036 123.853 119.914 -0.161 0.000 2.760 301 V HA 0.418 4.565 4.120 0.047 0.000 0.309 301 V C -0.446 175.553 176.094 -0.159 0.000 1.077 301 V CA -0.893 61.326 62.300 -0.136 0.000 0.910 301 V CB 2.311 34.107 31.823 -0.045 0.000 1.008 301 V HN 0.794 nan 8.190 nan 0.000 0.424 302 Q N 1.664 121.377 119.800 -0.145 0.000 2.414 302 Q HA 0.271 4.639 4.340 0.047 0.000 0.206 302 Q C 1.480 177.494 176.000 0.022 0.000 1.058 302 Q CA 0.191 55.938 55.803 -0.092 0.000 1.025 302 Q CB 0.407 29.104 28.738 -0.069 0.000 1.196 302 Q HN 0.750 nan 8.270 nan 0.000 0.586 303 S N -0.417 115.326 115.700 0.072 0.000 2.351 303 S HA -0.238 4.260 4.470 0.047 0.000 0.220 303 S C 1.802 176.454 174.600 0.087 0.000 1.035 303 S CA 1.615 59.870 58.200 0.093 0.000 1.031 303 S CB -0.454 62.812 63.200 0.109 0.000 0.928 303 S HN 0.569 nan 8.310 nan 0.000 0.433 304 Y N 2.824 123.129 120.300 0.007 0.000 2.069 304 Y HA -0.235 4.348 4.550 0.054 0.000 0.278 304 Y C 2.168 178.075 175.900 0.012 0.000 1.175 304 Y CA 2.433 60.537 58.100 0.007 0.000 1.134 304 Y CB -0.909 37.553 38.460 0.003 0.000 0.965 304 Y HN 0.387 nan 8.280 nan 0.000 0.498 305 D N 0.045 120.446 120.400 0.003 0.000 2.149 305 D HA -0.251 4.417 4.640 0.047 0.000 0.194 305 D C 2.270 178.521 176.300 -0.082 0.000 1.001 305 D CA 2.107 56.078 54.000 -0.047 0.000 0.849 305 D CB -0.610 40.198 40.800 0.013 0.000 0.939 305 D HN 0.417 nan 8.370 nan 0.000 0.449 306 L N 0.306 121.494 121.223 -0.058 0.000 2.072 306 L HA -0.089 4.279 4.340 0.047 0.000 0.205 306 L C 2.690 179.503 176.870 -0.094 0.000 1.079 306 L CA 0.373 55.177 54.840 -0.060 0.000 0.752 306 L CB -0.411 41.635 42.059 -0.022 0.000 0.906 306 L HN -0.100 nan 8.230 nan 0.000 0.436 307 V N 0.066 119.905 119.914 -0.126 0.000 2.407 307 V HA -0.314 3.834 4.120 0.047 0.000 0.248 307 V C 2.566 178.518 176.094 -0.235 0.000 1.055 307 V CA 1.830 64.035 62.300 -0.159 0.000 1.049 307 V CB -0.251 31.489 31.823 -0.138 0.000 0.662 307 V HN 0.417 nan 8.190 nan 0.000 0.455 308 K N -0.625 119.569 120.400 -0.343 0.000 2.009 308 K HA -0.215 4.133 4.320 0.047 0.000 0.210 308 K C 2.135 178.606 176.600 -0.215 0.000 1.049 308 K CA 1.919 58.035 56.287 -0.285 0.000 0.929 308 K CB -0.408 31.950 32.500 -0.236 0.000 0.714 308 K HN 0.371 nan 8.250 nan 0.000 0.440 309 L N 1.040 122.213 121.223 -0.083 0.000 1.990 309 L HA -0.269 4.099 4.340 0.047 0.000 0.213 309 L C 2.201 179.000 176.870 -0.118 0.000 1.072 309 L CA 1.474 56.290 54.840 -0.040 0.000 0.755 309 L CB -0.178 41.895 42.059 0.023 0.000 0.889 309 L HN 0.216 nan 8.230 nan 0.000 0.432 310 L N -1.990 119.172 121.223 -0.103 0.000 2.156 310 L HA -0.221 4.147 4.340 0.047 0.000 0.208 310 L C 2.656 179.468 176.870 -0.097 0.000 1.095 310 L CA 0.598 55.389 54.840 -0.081 0.000 0.770 310 L CB -0.691 41.337 42.059 -0.050 0.000 0.914 310 L HN 0.358 nan 8.230 nan 0.000 0.439 311 C N 0.562 119.787 119.300 -0.125 0.000 2.397 311 C HA -0.251 4.237 4.460 0.047 0.000 0.279 311 C C 2.147 177.060 174.990 -0.128 0.000 1.206 311 C CA 1.611 60.554 59.018 -0.125 0.000 1.818 311 C CB -1.142 26.505 27.740 -0.155 0.000 2.087 311 C HN 0.617 nan 8.230 nan 0.000 0.488 312 Q N -2.107 117.592 119.800 -0.169 0.000 2.211 312 Q HA 0.295 4.663 4.340 0.047 0.000 0.301 312 Q C -0.111 175.831 176.000 -0.096 0.000 0.884 312 Q CA 0.001 55.714 55.803 -0.151 0.000 1.115 312 Q CB -0.190 28.401 28.738 -0.246 0.000 1.217 312 Q HN 0.578 nan 8.270 nan 0.000 0.451 313 C N 2.372 121.631 119.300 -0.068 0.000 2.641 313 C HA 0.285 4.773 4.460 0.047 0.000 0.294 313 C C -1.156 173.818 174.990 -0.027 0.000 1.496 313 C CA -1.125 57.871 59.018 -0.037 0.000 1.672 313 C CB -0.169 27.554 27.740 -0.028 0.000 2.763 313 C HN 0.441 nan 8.230 nan 0.000 0.545 314 P HA -0.140 nan 4.420 nan 0.000 0.226 314 P C 0.939 178.232 177.300 -0.011 0.000 1.146 314 P CA 1.390 64.478 63.100 -0.020 0.000 0.773 314 P CB 0.224 31.912 31.700 -0.020 0.000 0.772 315 K N -1.260 119.135 120.400 -0.009 0.000 2.353 315 K HA 0.111 4.459 4.320 0.047 0.000 0.195 315 K C 0.617 177.217 176.600 -0.000 0.000 1.031 315 K CA -0.595 55.689 56.287 -0.004 0.000 1.079 315 K CB -0.115 32.384 32.500 -0.003 0.000 0.857 315 K HN 0.010 nan 8.250 nan 0.000 0.535 316 L N 1.823 123.046 121.223 0.001 0.000 2.640 316 L HA -0.175 4.193 4.340 0.047 0.000 0.280 316 L C 0.717 177.596 176.870 0.014 0.000 1.229 316 L CA 1.321 56.165 54.840 0.006 0.000 0.919 316 L CB 0.446 42.509 42.059 0.006 0.000 1.168 316 L HN 0.205 nan 8.230 nan 0.000 0.496 317 Q N 3.226 123.037 119.800 0.019 0.000 2.322 317 Q HA 0.253 4.621 4.340 0.047 0.000 0.250 317 Q C 0.009 176.039 176.000 0.051 0.000 0.853 317 Q CA -0.031 55.789 55.803 0.027 0.000 0.951 317 Q CB 0.907 29.656 28.738 0.018 0.000 1.114 317 Q HN 0.624 nan 8.270 nan 0.000 0.523 318 R N 0.891 121.423 120.500 0.054 0.000 2.533 318 R HA 0.481 4.848 4.340 0.047 0.000 0.288 318 R C -2.187 174.185 176.300 0.120 0.000 1.039 318 R CA -0.552 55.608 56.100 0.101 0.000 0.909 318 R CB 1.318 31.648 30.300 0.050 0.000 1.195 318 R HN -0.003 nan 8.270 nan 0.000 0.438 319 L N 4.721 126.087 121.223 0.237 0.000 2.441 319 L HA 0.612 4.980 4.340 0.047 0.000 0.270 319 L C -2.001 175.158 176.870 0.482 0.000 0.973 319 L CA -0.332 54.654 54.840 0.243 0.000 0.842 319 L CB 1.244 43.384 42.059 0.135 0.000 1.239 319 L HN 0.551 nan 8.230 nan 0.000 0.406 320 W N 5.222 126.553 121.300 0.052 0.000 2.433 320 W HA 0.790 5.478 4.660 0.048 0.000 0.315 320 W C -0.503 176.057 176.519 0.069 0.000 1.087 320 W CA -1.035 56.374 57.345 0.107 0.000 1.205 320 W CB 1.632 31.187 29.460 0.159 0.000 1.288 320 W HN 0.413 nan 8.180 nan 0.000 0.504 321 V N 4.855 124.935 119.914 0.276 0.000 2.969 321 V HA 0.427 4.575 4.120 0.047 0.000 0.304 321 V C -0.158 176.010 176.094 0.124 0.000 1.192 321 V CA -1.067 61.319 62.300 0.143 0.000 0.962 321 V CB 1.599 33.475 31.823 0.089 0.000 1.045 321 V HN 0.490 nan 8.190 nan 0.000 0.428 322 L N 3.306 124.573 121.223 0.074 0.000 2.367 322 L HA 0.240 4.608 4.340 0.047 0.000 0.215 322 L C 1.229 178.064 176.870 -0.059 0.000 1.197 322 L CA 0.694 55.528 54.840 -0.009 0.000 0.836 322 L CB 0.224 42.273 42.059 -0.017 0.000 1.242 322 L HN 0.961 nan 8.230 nan 0.000 0.553 323 D N -3.113 117.163 120.400 -0.208 0.000 2.423 323 D HA -0.087 4.581 4.640 0.047 0.000 0.208 323 D C 1.760 177.998 176.300 -0.103 0.000 1.068 323 D CA 0.318 54.203 54.000 -0.191 0.000 0.860 323 D CB -0.332 40.300 40.800 -0.279 0.000 0.992 323 D HN 0.501 nan 8.370 nan 0.000 0.504 324 Y N 1.145 121.422 120.300 -0.040 0.000 2.181 324 Y HA -0.292 4.285 4.550 0.046 0.000 0.279 324 Y C 1.777 177.673 175.900 -0.006 0.000 1.228 324 Y CA 0.538 58.628 58.100 -0.018 0.000 1.164 324 Y CB -0.389 38.063 38.460 -0.013 0.000 0.959 324 Y HN 0.103 nan 8.280 nan 0.000 0.521 325 I N -0.127 120.528 120.570 0.141 0.000 3.434 325 I HA -0.123 4.075 4.170 0.047 0.000 0.212 325 I C 0.503 176.665 176.117 0.076 0.000 1.348 325 I CA 0.426 61.778 61.300 0.086 0.000 0.948 325 I CB 0.514 38.548 38.000 0.058 0.000 1.607 325 I HN 0.258 nan 8.210 nan 0.000 0.907 326 E N -0.142 120.097 120.200 0.065 0.000 2.049 326 E HA 0.126 4.504 4.350 0.047 0.000 0.196 326 E C 0.175 176.812 176.600 0.063 0.000 1.255 326 E CA -0.542 55.892 56.400 0.056 0.000 0.906 326 E CB -0.035 29.701 29.700 0.059 0.000 1.970 326 E HN 0.531 nan 8.360 nan 0.000 0.509 327 D N 0.942 121.378 120.400 0.060 0.000 2.106 327 D HA -0.202 4.465 4.640 0.047 0.000 0.191 327 D C 1.746 178.077 176.300 0.053 0.000 0.997 327 D CA 1.978 56.016 54.000 0.063 0.000 0.834 327 D CB -0.588 40.244 40.800 0.052 0.000 0.956 327 D HN 0.415 nan 8.370 nan 0.000 0.448 328 A N 1.174 124.024 122.820 0.050 0.000 1.873 328 A HA -0.154 4.194 4.320 0.047 0.000 0.218 328 A C 2.428 180.041 177.584 0.047 0.000 1.193 328 A CA 2.863 54.929 52.037 0.049 0.000 0.629 328 A CB -1.434 17.601 19.000 0.058 0.000 0.826 328 A HN 0.311 nan 8.150 nan 0.000 0.447 329 G N -0.249 108.583 108.800 0.053 0.000 2.783 329 G HA2 -0.345 3.643 3.960 0.047 0.000 0.225 329 G HA3 -0.345 3.643 3.960 0.047 0.000 0.225 329 G C 1.531 176.452 174.900 0.035 0.000 1.191 329 G CA 1.537 46.662 45.100 0.043 0.000 0.774 329 G HN 0.488 nan 8.290 nan 0.000 0.632 330 L N -0.366 120.885 121.223 0.047 0.000 2.270 330 L HA 0.081 4.449 4.340 0.047 0.000 0.210 330 L C 2.824 179.710 176.870 0.028 0.000 1.104 330 L CA 0.518 55.386 54.840 0.046 0.000 0.804 330 L CB -0.249 41.854 42.059 0.073 0.000 0.937 330 L HN 0.159 nan 8.230 nan 0.000 0.450 331 E N 0.419 120.635 120.200 0.026 0.000 2.085 331 E HA -0.179 4.199 4.350 0.047 0.000 0.194 331 E C 2.186 178.792 176.600 0.010 0.000 0.994 331 E CA 1.298 57.708 56.400 0.016 0.000 0.801 331 E CB -0.144 29.567 29.700 0.019 0.000 0.743 331 E HN 0.222 nan 8.360 nan 0.000 0.453 332 V N 1.336 121.257 119.914 0.012 0.000 2.215 332 V HA -0.308 3.840 4.120 0.047 0.000 0.246 332 V C 2.729 178.820 176.094 -0.004 0.000 1.047 332 V CA 2.007 64.307 62.300 0.001 0.000 0.999 332 V CB -0.817 31.002 31.823 -0.007 0.000 0.635 332 V HN 0.255 nan 8.190 nan 0.000 0.450 333 L N 0.307 121.530 121.223 0.000 0.000 2.113 333 L HA -0.334 4.034 4.340 0.047 0.000 0.221 333 L C 2.418 179.289 176.870 0.002 0.000 1.084 333 L CA 2.578 57.420 54.840 0.003 0.000 0.787 333 L CB -0.762 41.307 42.059 0.017 0.000 0.893 333 L HN 0.356 nan 8.230 nan 0.000 0.440 334 A N -1.640 121.181 122.820 0.002 0.000 1.940 334 A HA -0.230 4.118 4.320 0.047 0.000 0.219 334 A C 2.399 179.979 177.584 -0.007 0.000 1.176 334 A CA 2.240 54.275 52.037 -0.003 0.000 0.631 334 A CB -0.826 18.171 19.000 -0.005 0.000 0.814 334 A HN 0.649 nan 8.150 nan 0.000 0.446 335 S N -1.710 113.986 115.700 -0.007 0.000 2.439 335 S HA -0.053 4.445 4.470 0.047 0.000 0.224 335 S C 1.804 176.397 174.600 -0.012 0.000 1.029 335 S CA 1.261 59.455 58.200 -0.010 0.000 0.946 335 S CB -0.729 62.466 63.200 -0.009 0.000 0.797 335 S HN 0.463 nan 8.310 nan 0.000 0.504 336 T N 1.863 116.409 114.554 -0.014 0.000 2.668 336 T HA -0.002 4.376 4.350 0.047 0.000 0.262 336 T C 0.966 175.657 174.700 -0.015 0.000 1.045 336 T CA 1.240 63.328 62.100 -0.019 0.000 1.152 336 T CB -0.645 68.208 68.868 -0.026 0.000 0.864 336 T HN 0.479 nan 8.240 nan 0.000 0.419 337 C N 3.002 122.296 119.300 -0.009 0.000 2.379 337 C HA 0.437 4.925 4.460 0.047 0.000 0.476 337 C C 1.484 176.474 174.990 -0.001 0.000 1.068 337 C CA -1.247 57.769 59.018 -0.005 0.000 1.406 337 C CB -1.039 26.702 27.740 0.002 0.000 1.496 337 C HN 0.319 nan 8.230 nan 0.000 0.551 338 K N 1.280 121.677 120.400 -0.005 0.000 2.520 338 K HA -0.132 4.216 4.320 0.047 0.000 0.197 338 K C 1.225 177.824 176.600 -0.000 0.000 1.043 338 K CA 1.108 57.392 56.287 -0.004 0.000 0.944 338 K CB -0.207 32.290 32.500 -0.006 0.000 0.770 338 K HN 0.578 nan 8.250 nan 0.000 0.480 339 D N -1.011 119.390 120.400 0.002 0.000 2.431 339 D HA 0.029 4.697 4.640 0.047 0.000 0.213 339 D C -0.703 175.605 176.300 0.013 0.000 1.130 339 D CA -0.271 53.733 54.000 0.006 0.000 0.834 339 D CB 0.199 41.002 40.800 0.004 0.000 0.985 339 D HN -0.049 nan 8.370 nan 0.000 0.504 340 L N 1.375 122.608 121.223 0.017 0.000 2.559 340 L HA 0.115 4.483 4.340 0.047 0.000 0.274 340 L C 1.256 178.146 176.870 0.033 0.000 1.205 340 L CA 0.627 55.484 54.840 0.029 0.000 0.907 340 L CB 0.506 42.584 42.059 0.031 0.000 1.153 340 L HN -0.069 nan 8.230 nan 0.000 0.490 341 R N 2.777 123.304 120.500 0.046 0.000 2.191 341 R HA 0.220 4.588 4.340 0.047 0.000 0.196 341 R C -0.096 176.246 176.300 0.070 0.000 0.991 341 R CA 0.293 56.423 56.100 0.050 0.000 1.075 341 R CB 0.140 30.469 30.300 0.049 0.000 1.040 341 R HN 0.735 nan 8.270 nan 0.000 0.526 342 E N 0.865 121.123 120.200 0.097 0.000 2.275 342 E HA 0.372 4.750 4.350 0.047 0.000 0.270 342 E C -1.733 174.951 176.600 0.141 0.000 0.882 342 E CA -0.680 55.796 56.400 0.126 0.000 0.758 342 E CB 1.626 31.438 29.700 0.187 0.000 1.195 342 E HN -0.082 nan 8.360 nan 0.000 0.419 343 L N 4.114 125.391 121.223 0.090 0.000 2.409 343 L HA 0.580 4.948 4.340 0.047 0.000 0.272 343 L C -1.620 175.232 176.870 -0.031 0.000 0.980 343 L CA -0.292 54.594 54.840 0.078 0.000 0.826 343 L CB 1.630 43.728 42.059 0.064 0.000 1.268 343 L HN 0.586 nan 8.230 nan 0.000 0.407 344 R N 4.644 125.073 120.500 -0.117 0.000 2.483 344 R HA 0.647 5.015 4.340 0.047 0.000 0.303 344 R C -1.554 174.504 176.300 -0.403 0.000 0.987 344 R CA -0.843 54.986 56.100 -0.452 0.000 0.881 344 R CB 2.170 31.876 30.300 -0.991 0.000 1.177 344 R HN 0.440 nan 8.270 nan 0.000 0.451 345 V N 4.854 124.540 119.914 -0.380 0.000 2.328 345 V HA 0.388 4.536 4.120 0.047 0.000 0.278 345 V C -0.145 175.634 176.094 -0.524 0.000 1.021 345 V CA -0.538 61.562 62.300 -0.334 0.000 0.838 345 V CB 0.423 32.074 31.823 -0.286 0.000 0.999 345 V HN 0.521 nan 8.190 nan 0.000 0.447 346 F N 6.346 126.111 119.950 -0.310 0.000 2.380 346 F HA 0.591 5.145 4.527 0.045 0.000 0.319 346 F C -1.858 173.576 175.800 -0.610 0.000 1.113 346 F CA -2.105 55.543 58.000 -0.588 0.000 1.056 346 F CB 1.151 39.862 39.000 -0.482 0.000 1.289 346 F HN 0.302 nan 8.300 nan 0.000 0.515 347 P HA 0.199 nan 4.420 nan 0.000 0.285 347 P C -0.368 176.700 177.300 -0.386 0.000 1.269 347 P CA -0.491 62.341 63.100 -0.447 0.000 0.844 347 P CB 1.791 33.222 31.700 -0.448 0.000 1.094 348 S N -0.064 115.392 115.700 -0.406 0.000 2.460 348 S HA 0.060 4.558 4.470 0.047 0.000 0.226 348 S C 0.431 174.843 174.600 -0.314 0.000 1.057 348 S CA 0.246 58.166 58.200 -0.467 0.000 0.948 348 S CB -0.375 62.226 63.200 -0.998 0.000 0.822 348 S HN 0.531 nan 8.310 nan 0.000 0.512 349 E N 1.266 121.300 120.200 -0.275 0.000 2.432 349 E HA 0.423 4.801 4.350 0.047 0.000 0.272 349 E C -2.989 173.463 176.600 -0.245 0.000 0.937 349 E CA -1.866 54.385 56.400 -0.249 0.000 0.812 349 E CB 1.066 30.672 29.700 -0.157 0.000 1.377 349 E HN 0.151 nan 8.360 nan 0.000 0.399 350 P HA 0.142 nan 4.420 nan 0.000 0.220 350 P C 0.830 178.135 177.300 0.008 0.000 1.152 350 P CA 0.702 63.670 63.100 -0.221 0.000 0.812 350 P CB -0.043 31.512 31.700 -0.242 0.000 0.792 351 F N -1.002 118.930 119.950 -0.031 0.000 2.748 351 F HA 0.043 4.599 4.527 0.048 0.000 0.299 351 F C 0.658 176.444 175.800 -0.024 0.000 1.154 351 F CA -0.488 57.496 58.000 -0.026 0.000 1.446 351 F CB -0.113 38.876 39.000 -0.019 0.000 1.112 351 F HN -0.326 nan 8.300 nan 0.000 0.584 352 V N 3.167 123.140 119.914 0.099 0.000 2.432 352 V HA 0.003 4.151 4.120 0.047 0.000 0.275 352 V C 1.079 177.188 176.094 0.026 0.000 1.043 352 V CA -0.482 61.845 62.300 0.045 0.000 0.925 352 V CB 1.383 33.213 31.823 0.011 0.000 0.985 352 V HN 0.297 nan 8.190 nan 0.000 0.466 353 M N 1.538 121.152 119.600 0.022 0.000 2.682 353 M HA 0.268 4.776 4.480 0.047 0.000 0.235 353 M C -0.194 176.100 176.300 -0.009 0.000 1.114 353 M CA 0.734 56.038 55.300 0.006 0.000 1.053 353 M CB -0.076 32.527 32.600 0.005 0.000 1.599 353 M HN 0.451 nan 8.290 nan 0.000 0.520 354 E N 2.509 122.703 120.200 -0.010 0.000 2.070 354 E HA 0.397 4.775 4.350 0.047 0.000 0.261 354 E C -2.518 174.070 176.600 -0.021 0.000 0.926 354 E CA -2.294 54.099 56.400 -0.012 0.000 0.760 354 E CB 0.183 29.882 29.700 -0.002 0.000 1.133 354 E HN 0.114 nan 8.360 nan 0.000 0.420 355 P HA -0.110 nan 4.420 nan 0.000 0.251 355 P C 0.711 178.000 177.300 -0.020 0.000 1.154 355 P CA 0.422 63.500 63.100 -0.036 0.000 0.805 355 P CB 0.162 31.838 31.700 -0.040 0.000 0.759 356 N N 2.753 121.438 118.700 -0.024 0.000 2.373 356 N HA -0.013 4.754 4.740 0.047 0.000 0.181 356 N C 0.269 175.798 175.510 0.031 0.000 1.082 356 N CA 0.302 53.357 53.050 0.008 0.000 0.885 356 N CB -0.081 38.414 38.487 0.013 0.000 0.977 356 N HN 0.283 nan 8.380 nan 0.000 0.462 357 V N -4.548 115.364 119.914 -0.003 0.000 3.156 357 V HA 0.887 5.035 4.120 0.047 0.000 0.311 357 V C -0.457 175.636 176.094 -0.001 0.000 1.208 357 V CA -0.887 61.426 62.300 0.022 0.000 1.063 357 V CB 1.299 33.113 31.823 -0.016 0.000 1.098 357 V HN 0.008 nan 8.190 nan 0.000 0.452 358 A N 1.507 124.334 122.820 0.012 0.000 3.041 358 A HA 0.700 5.048 4.320 0.047 0.000 0.307 358 A C -0.373 177.213 177.584 0.004 0.000 1.116 358 A CA -0.134 51.907 52.037 0.005 0.000 1.001 358 A CB -0.595 18.417 19.000 0.021 0.000 1.112 358 A HN 1.161 nan 8.150 nan 0.000 0.556 359 L N 1.708 122.918 121.223 -0.021 0.000 2.264 359 L HA 0.653 5.021 4.340 0.047 0.000 0.289 359 L C 0.568 177.431 176.870 -0.011 0.000 1.044 359 L CA 0.389 55.220 54.840 -0.015 0.000 0.807 359 L CB 1.286 43.297 42.059 -0.079 0.000 1.192 359 L HN 0.515 nan 8.230 nan 0.000 0.425 360 T N 0.330 114.910 114.554 0.043 0.000 2.619 360 T HA 0.371 4.749 4.350 0.047 0.000 0.244 360 T C 0.634 175.427 174.700 0.156 0.000 0.893 360 T CA 0.119 62.242 62.100 0.038 0.000 1.093 360 T CB 0.576 69.435 68.868 -0.015 0.000 1.567 360 T HN 0.575 nan 8.240 nan 0.000 0.549 361 E N -0.012 120.252 120.200 0.107 0.000 2.400 361 E HA -0.014 4.364 4.350 0.047 0.000 0.195 361 E C 1.844 178.465 176.600 0.035 0.000 1.012 361 E CA 0.424 56.881 56.400 0.094 0.000 0.875 361 E CB -0.358 29.384 29.700 0.071 0.000 0.859 361 E HN 0.470 nan 8.360 nan 0.000 0.498 362 Q N 1.709 121.540 119.800 0.053 0.000 2.197 362 Q HA -0.089 4.279 4.340 0.047 0.000 0.207 362 Q C 1.911 177.922 176.000 0.018 0.000 0.984 362 Q CA 2.140 57.961 55.803 0.030 0.000 0.869 362 Q CB -1.097 27.664 28.738 0.038 0.000 0.906 362 Q HN 0.422 nan 8.270 nan 0.000 0.426 363 G N 0.803 109.641 108.800 0.063 0.000 2.639 363 G HA2 -0.300 3.688 3.960 0.047 0.000 0.216 363 G HA3 -0.300 3.688 3.960 0.047 0.000 0.216 363 G C 1.397 176.269 174.900 -0.046 0.000 1.267 363 G CA 0.862 46.006 45.100 0.074 0.000 0.801 363 G HN 0.427 nan 8.290 nan 0.000 0.592 364 L N 0.331 121.402 121.223 -0.253 0.000 2.064 364 L HA -0.198 4.170 4.340 0.047 0.000 0.216 364 L C 3.081 179.825 176.870 -0.210 0.000 1.077 364 L CA 1.548 56.118 54.840 -0.449 0.000 0.766 364 L CB -0.354 41.206 42.059 -0.831 0.000 0.890 364 L HN 0.170 nan 8.230 nan 0.000 0.435 365 V N -0.914 118.913 119.914 -0.145 0.000 2.255 365 V HA -0.312 3.836 4.120 0.047 0.000 0.247 365 V C 2.554 178.605 176.094 -0.072 0.000 1.051 365 V CA 2.017 64.258 62.300 -0.097 0.000 1.018 365 V CB -0.503 31.280 31.823 -0.067 0.000 0.641 365 V HN 0.444 nan 8.190 nan 0.000 0.445 366 S N -0.011 115.660 115.700 -0.049 0.000 2.369 366 S HA -0.230 4.268 4.470 0.047 0.000 0.225 366 S C 2.030 176.609 174.600 -0.034 0.000 1.043 366 S CA 1.830 60.011 58.200 -0.031 0.000 1.074 366 S CB -0.484 62.710 63.200 -0.010 0.000 0.962 366 S HN 0.368 nan 8.310 nan 0.000 0.433 367 V N 2.256 122.147 119.914 -0.038 0.000 2.380 367 V HA -0.215 3.933 4.120 0.047 0.000 0.251 367 V C 2.646 178.718 176.094 -0.037 0.000 1.063 367 V CA 2.093 64.375 62.300 -0.029 0.000 1.055 367 V CB -1.083 30.724 31.823 -0.026 0.000 0.657 367 V HN 0.726 nan 8.190 nan 0.000 0.455 368 S N -0.586 115.080 115.700 -0.056 0.000 2.406 368 S HA -0.096 4.402 4.470 0.047 0.000 0.224 368 S C 1.942 176.507 174.600 -0.058 0.000 1.030 368 S CA 1.049 59.213 58.200 -0.059 0.000 0.958 368 S CB -0.310 62.840 63.200 -0.083 0.000 0.811 368 S HN 0.461 nan 8.310 nan 0.000 0.489 369 M N 1.720 121.286 119.600 -0.058 0.000 2.108 369 M HA -0.001 4.507 4.480 0.047 0.000 0.261 369 M C 2.413 178.691 176.300 -0.036 0.000 1.066 369 M CA 1.866 57.136 55.300 -0.049 0.000 1.107 369 M CB -1.879 30.695 32.600 -0.044 0.000 1.356 369 M HN 0.566 nan 8.290 nan 0.000 0.406 370 G N -0.275 108.507 108.800 -0.029 0.000 2.551 370 G HA2 -0.005 3.983 3.960 0.047 0.000 0.216 370 G HA3 -0.005 3.983 3.960 0.047 0.000 0.216 370 G C 0.248 175.139 174.900 -0.016 0.000 1.137 370 G CA 0.119 45.207 45.100 -0.020 0.000 0.798 370 G HN 0.533 nan 8.290 nan 0.000 0.536 371 C N 1.717 121.008 119.300 -0.017 0.000 2.409 371 C HA 0.376 4.864 4.460 0.047 0.000 0.297 371 C C -1.258 173.726 174.990 -0.011 0.000 1.083 371 C CA -1.603 57.410 59.018 -0.009 0.000 1.515 371 C CB 1.527 29.267 27.740 -0.001 0.000 1.869 371 C HN 0.186 nan 8.230 nan 0.000 0.413 372 P HA -0.157 nan 4.420 nan 0.000 0.222 372 P C 0.978 178.273 177.300 -0.008 0.000 1.142 372 P CA 1.456 64.548 63.100 -0.014 0.000 0.788 372 P CB 0.163 31.855 31.700 -0.013 0.000 0.767 373 K N -1.004 119.396 120.400 -0.001 0.000 2.372 373 K HA 0.191 4.538 4.320 0.047 0.000 0.200 373 K C 0.831 177.438 176.600 0.013 0.000 1.022 373 K CA -0.503 55.787 56.287 0.006 0.000 1.125 373 K CB 0.211 32.716 32.500 0.009 0.000 0.855 373 K HN 0.254 nan 8.250 nan 0.000 0.524 374 L N 3.171 124.401 121.223 0.011 0.000 2.660 374 L HA -0.113 4.255 4.340 0.047 0.000 0.272 374 L C 1.224 178.109 176.870 0.025 0.000 1.194 374 L CA 0.947 55.800 54.840 0.021 0.000 0.945 374 L CB 0.275 42.341 42.059 0.012 0.000 1.212 374 L HN 0.398 nan 8.230 nan 0.000 0.490 375 E N 1.650 121.875 120.200 0.042 0.000 2.568 375 E HA 0.064 4.441 4.350 0.047 0.000 0.220 375 E C 0.048 176.692 176.600 0.074 0.000 0.869 375 E CA -0.341 56.087 56.400 0.047 0.000 1.268 375 E CB 0.670 30.392 29.700 0.037 0.000 1.252 375 E HN 0.386 nan 8.360 nan 0.000 0.606 376 S N 0.769 116.517 115.700 0.080 0.000 2.647 376 S HA 0.605 5.103 4.470 0.047 0.000 0.300 376 S C -1.193 173.448 174.600 0.068 0.000 1.129 376 S CA -0.521 57.730 58.200 0.086 0.000 1.029 376 S CB 1.728 64.977 63.200 0.082 0.000 1.007 376 S HN 0.110 nan 8.310 nan 0.000 0.484 377 V N 5.006 124.951 119.914 0.051 0.000 2.841 377 V HA 0.737 4.885 4.120 0.047 0.000 0.310 377 V C -1.305 174.694 176.094 -0.158 0.000 1.090 377 V CA -0.787 61.493 62.300 -0.034 0.000 0.930 377 V CB 1.889 33.715 31.823 0.005 0.000 1.014 377 V HN 0.843 nan 8.190 nan 0.000 0.425 378 L N 4.880 125.990 121.223 -0.187 0.000 2.476 378 L HA 0.713 5.081 4.340 0.047 0.000 0.269 378 L C -1.910 174.869 176.870 -0.152 0.000 0.965 378 L CA -0.464 54.230 54.840 -0.245 0.000 0.845 378 L CB 1.605 43.477 42.059 -0.311 0.000 1.259 378 L HN 0.665 nan 8.230 nan 0.000 0.403 379 Y N 5.150 125.234 120.300 -0.359 0.000 2.358 379 Y HA 0.609 5.186 4.550 0.045 0.000 0.324 379 Y C -1.819 173.946 175.900 -0.226 0.000 1.123 379 Y CA -0.776 57.192 58.100 -0.221 0.000 1.067 379 Y CB 1.473 39.779 38.460 -0.257 0.000 1.230 379 Y HN 0.500 nan 8.280 nan 0.000 0.429 380 F N 5.991 125.590 119.950 -0.586 0.000 2.334 380 F HA 0.502 5.056 4.527 0.046 0.000 0.367 380 F C 0.366 175.868 175.800 -0.495 0.000 1.115 380 F CA -0.903 56.856 58.000 -0.401 0.000 1.116 380 F CB 0.273 39.084 39.000 -0.314 0.000 1.230 380 F HN 0.594 nan 8.300 nan 0.000 0.484 381 C N 1.371 120.567 119.300 -0.172 0.000 2.656 381 C HA 0.655 5.143 4.460 0.047 0.000 0.404 381 C C 1.173 176.132 174.990 -0.051 0.000 1.423 381 C CA -1.051 57.898 59.018 -0.114 0.000 1.784 381 C CB 1.822 29.571 27.740 0.015 0.000 2.093 381 C HN 0.847 nan 8.230 nan 0.000 0.492 382 R N 0.582 121.045 120.500 -0.061 0.000 2.509 382 R HA 0.260 4.628 4.340 0.047 0.000 0.300 382 R C -0.180 176.072 176.300 -0.080 0.000 0.985 382 R CA 0.192 56.255 56.100 -0.061 0.000 1.092 382 R CB 0.074 30.329 30.300 -0.075 0.000 1.237 382 R HN 0.911 nan 8.270 nan 0.000 0.546 383 Q N -0.707 119.045 119.800 -0.080 0.000 2.791 383 Q HA 0.416 4.784 4.340 0.047 0.000 0.280 383 Q C -1.738 174.231 176.000 -0.053 0.000 0.928 383 Q CA -1.025 54.692 55.803 -0.143 0.000 0.819 383 Q CB 1.203 29.684 28.738 -0.429 0.000 1.552 383 Q HN -0.036 nan 8.270 nan 0.000 0.410 384 M N 0.902 120.545 119.600 0.071 0.000 2.956 384 M HA 0.671 5.179 4.480 0.047 0.000 0.272 384 M C -2.070 174.393 176.300 0.271 0.000 1.132 384 M CA 0.687 56.080 55.300 0.154 0.000 0.805 384 M CB 2.285 34.941 32.600 0.093 0.000 1.639 384 M HN 1.149 nan 8.290 nan 0.000 0.520 385 T N -1.448 113.191 114.554 0.142 0.000 2.840 385 T HA 0.522 4.900 4.350 0.047 0.000 0.317 385 T C -0.313 174.377 174.700 -0.017 0.000 1.401 385 T CA -0.752 61.391 62.100 0.071 0.000 1.028 385 T CB 1.153 70.040 68.868 0.031 0.000 1.317 385 T HN 0.660 nan 8.240 nan 0.000 0.495 386 N N 0.334 119.012 118.700 -0.036 0.000 2.354 386 N HA 0.015 4.782 4.740 0.047 0.000 0.179 386 N C 2.225 177.680 175.510 -0.091 0.000 1.021 386 N CA 1.114 54.122 53.050 -0.071 0.000 0.887 386 N CB -0.380 38.081 38.487 -0.044 0.000 0.974 386 N HN 0.792 nan 8.380 nan 0.000 0.437 387 A N 1.724 124.500 122.820 -0.074 0.000 1.883 387 A HA -0.095 4.253 4.320 0.047 0.000 0.217 387 A C 2.448 179.980 177.584 -0.088 0.000 1.186 387 A CA 2.018 54.007 52.037 -0.080 0.000 0.624 387 A CB -0.886 18.073 19.000 -0.069 0.000 0.822 387 A HN 0.307 nan 8.150 nan 0.000 0.444 388 A N -0.077 122.702 122.820 -0.067 0.000 1.849 388 A HA -0.160 4.188 4.320 0.047 0.000 0.217 388 A C 2.174 179.677 177.584 -0.137 0.000 1.202 388 A CA 1.803 53.792 52.037 -0.079 0.000 0.629 388 A CB -0.972 18.004 19.000 -0.040 0.000 0.834 388 A HN 0.521 nan 8.150 nan 0.000 0.447 389 L N -0.714 120.404 121.223 -0.174 0.000 2.081 389 L HA -0.229 4.139 4.340 0.047 0.000 0.212 389 L C 2.520 179.230 176.870 -0.267 0.000 1.080 389 L CA 1.396 56.077 54.840 -0.265 0.000 0.754 389 L CB -0.615 41.222 42.059 -0.369 0.000 0.893 389 L HN 0.406 nan 8.230 nan 0.000 0.433 390 I N -0.725 119.716 120.570 -0.215 0.000 2.179 390 I HA -0.282 3.916 4.170 0.047 0.000 0.242 390 I C 2.556 178.528 176.117 -0.242 0.000 1.088 390 I CA 1.605 62.772 61.300 -0.222 0.000 1.357 390 I CB -0.426 37.471 38.000 -0.172 0.000 1.051 390 I HN 0.232 nan 8.210 nan 0.000 0.409 391 T N 0.987 115.427 114.554 -0.191 0.000 2.708 391 T HA -0.151 4.227 4.350 0.047 0.000 0.266 391 T C 1.876 176.456 174.700 -0.199 0.000 1.037 391 T CA 1.489 63.482 62.100 -0.178 0.000 1.146 391 T CB -0.307 68.484 68.868 -0.130 0.000 0.865 391 T HN 0.137 nan 8.240 nan 0.000 0.435 392 I N 1.528 121.976 120.570 -0.204 0.000 2.185 392 I HA -0.244 3.954 4.170 0.047 0.000 0.246 392 I C 2.616 178.570 176.117 -0.272 0.000 1.088 392 I CA 1.505 62.674 61.300 -0.219 0.000 1.347 392 I CB -0.389 37.467 38.000 -0.240 0.000 1.041 392 I HN 0.207 nan 8.210 nan 0.000 0.415 393 A N -0.310 122.314 122.820 -0.328 0.000 1.935 393 A HA -0.058 4.290 4.320 0.047 0.000 0.214 393 A C 2.410 179.767 177.584 -0.380 0.000 1.178 393 A CA 0.755 52.582 52.037 -0.351 0.000 0.640 393 A CB -0.345 18.448 19.000 -0.346 0.000 0.825 393 A HN 0.239 nan 8.150 nan 0.000 0.447 394 R N 0.119 120.362 120.500 -0.429 0.000 2.073 394 R HA -0.107 4.261 4.340 0.047 0.000 0.234 394 R C 1.595 177.753 176.300 -0.236 0.000 1.134 394 R CA 1.571 57.425 56.100 -0.411 0.000 0.952 394 R CB -0.327 29.777 30.300 -0.327 0.000 0.850 394 R HN 0.523 nan 8.270 nan 0.000 0.433 395 N N 0.605 119.191 118.700 -0.190 0.000 2.270 395 N HA -0.084 4.684 4.740 0.047 0.000 0.181 395 N C 0.354 175.797 175.510 -0.112 0.000 1.016 395 N CA 0.954 53.926 53.050 -0.131 0.000 0.870 395 N CB 0.103 38.522 38.487 -0.112 0.000 0.979 395 N HN 0.105 nan 8.380 nan 0.000 0.431 396 R N 1.305 121.725 120.500 -0.132 0.000 3.301 396 R HA 0.232 4.600 4.340 0.047 0.000 0.286 396 R C -1.826 174.420 176.300 -0.090 0.000 1.386 396 R CA -1.379 54.661 56.100 -0.099 0.000 1.607 396 R CB 0.636 30.884 30.300 -0.088 0.000 1.305 396 R HN 0.136 nan 8.270 nan 0.000 0.637 397 P HA -0.194 nan 4.420 nan 0.000 0.221 397 P C 0.450 177.736 177.300 -0.024 0.000 1.141 397 P CA 1.282 64.363 63.100 -0.031 0.000 0.794 397 P CB 0.181 31.876 31.700 -0.008 0.000 0.764 398 N N -1.496 117.189 118.700 -0.025 0.000 2.280 398 N HA 0.016 4.784 4.740 0.047 0.000 0.192 398 N C 0.599 176.107 175.510 -0.003 0.000 1.109 398 N CA -0.254 52.791 53.050 -0.009 0.000 0.855 398 N CB -0.598 37.885 38.487 -0.006 0.000 0.974 398 N HN 0.054 nan 8.380 nan 0.000 0.482 399 M N 2.439 122.028 119.600 -0.018 0.000 2.261 399 M HA -0.030 4.478 4.480 0.047 0.000 0.350 399 M C 0.955 177.270 176.300 0.025 0.000 1.343 399 M CA 0.620 55.920 55.300 -0.001 0.000 1.003 399 M CB 0.633 33.201 32.600 -0.053 0.000 1.848 399 M HN 0.286 nan 8.290 nan 0.000 0.456 400 T N 1.489 116.076 114.554 0.054 0.000 2.955 400 T HA 0.408 4.786 4.350 0.047 0.000 0.251 400 T C 0.282 175.037 174.700 0.091 0.000 1.002 400 T CA -0.310 61.828 62.100 0.062 0.000 0.970 400 T CB 0.230 69.130 68.868 0.054 0.000 1.091 400 T HN 0.665 nan 8.240 nan 0.000 0.495 401 R N 0.264 120.835 120.500 0.118 0.000 2.538 401 R HA 0.654 5.022 4.340 0.047 0.000 0.292 401 R C -2.228 174.210 176.300 0.229 0.000 1.008 401 R CA -0.627 55.559 56.100 0.142 0.000 0.896 401 R CB 1.903 32.260 30.300 0.095 0.000 1.187 401 R HN 0.239 nan 8.270 nan 0.000 0.440 402 F N 2.849 122.824 119.950 0.041 0.000 2.659 402 F HA 0.484 5.039 4.527 0.046 0.000 0.342 402 F C -0.846 174.990 175.800 0.060 0.000 1.168 402 F CA -0.570 57.453 58.000 0.039 0.000 1.003 402 F CB 1.180 40.209 39.000 0.048 0.000 1.267 402 F HN 0.316 nan 8.300 nan 0.000 0.463 403 R N 5.230 125.541 120.500 -0.314 0.000 2.494 403 R HA 0.767 5.134 4.340 0.047 0.000 0.305 403 R C -1.786 174.229 176.300 -0.475 0.000 0.959 403 R CA -1.057 54.895 56.100 -0.247 0.000 0.864 403 R CB 2.212 32.421 30.300 -0.151 0.000 1.159 403 R HN 0.566 nan 8.270 nan 0.000 0.446 404 L N 2.119 123.145 121.223 -0.327 0.000 2.388 404 L HA 0.657 5.025 4.340 0.047 0.000 0.264 404 L C -1.642 175.079 176.870 -0.248 0.000 0.998 404 L CA -0.803 53.857 54.840 -0.299 0.000 0.817 404 L CB 2.293 44.270 42.059 -0.136 0.000 1.338 404 L HN 0.814 nan 8.230 nan 0.000 0.414 405 C N 6.584 125.671 119.300 -0.355 0.000 2.892 405 C HA 0.589 5.077 4.460 0.047 0.000 0.360 405 C C -1.013 173.796 174.990 -0.300 0.000 1.054 405 C CA -0.734 58.013 59.018 -0.452 0.000 1.326 405 C CB -0.564 26.578 27.740 -0.996 0.000 1.806 405 C HN 0.670 nan 8.230 nan 0.000 0.490 406 I N 6.802 127.299 120.570 -0.122 0.000 2.385 406 I HA 0.277 4.475 4.170 0.047 0.000 0.294 406 I C 1.048 177.136 176.117 -0.048 0.000 0.988 406 I CA -0.300 60.970 61.300 -0.050 0.000 1.265 406 I CB 1.651 39.655 38.000 0.007 0.000 1.388 406 I HN 0.565 nan 8.210 nan 0.000 0.480 407 I N 3.133 123.687 120.570 -0.026 0.000 2.277 407 I HA -0.047 4.151 4.170 0.047 0.000 0.243 407 I C 1.287 177.385 176.117 -0.031 0.000 1.094 407 I CA 0.847 62.143 61.300 -0.006 0.000 1.393 407 I CB -0.263 37.750 38.000 0.022 0.000 1.078 407 I HN 0.657 nan 8.210 nan 0.000 0.417 408 E N 2.889 123.066 120.200 -0.038 0.000 2.480 408 E HA 0.013 4.391 4.350 0.047 0.000 0.258 408 E C -2.115 174.435 176.600 -0.083 0.000 0.984 408 E CA -1.392 54.974 56.400 -0.057 0.000 0.930 408 E CB 0.700 30.379 29.700 -0.034 0.000 0.936 408 E HN 0.117 nan 8.360 nan 0.000 0.466 409 P HA 0.113 nan 4.420 nan 0.000 0.280 409 P C -0.827 176.417 177.300 -0.095 0.000 1.272 409 P CA -0.358 62.635 63.100 -0.179 0.000 0.819 409 P CB 0.643 32.070 31.700 -0.455 0.000 1.122 410 K N -2.075 118.307 120.400 -0.031 0.000 3.086 410 K HA -0.220 4.128 4.320 0.047 0.000 0.288 410 K C 0.290 176.910 176.600 0.034 0.000 1.127 410 K CA 0.905 57.210 56.287 0.030 0.000 0.854 410 K CB -2.396 30.128 32.500 0.039 0.000 1.213 410 K HN 0.694 nan 8.250 nan 0.000 0.456 411 A N 2.166 125.000 122.820 0.023 0.000 2.548 411 A HA 0.200 4.548 4.320 0.047 0.000 0.247 411 A C -1.631 176.000 177.584 0.080 0.000 1.067 411 A CA -0.505 51.558 52.037 0.044 0.000 0.757 411 A CB -0.016 19.003 19.000 0.031 0.000 0.996 411 A HN 0.054 nan 8.150 nan 0.000 0.504 412 P HA 0.157 nan 4.420 nan 0.000 0.285 412 P C -0.571 176.805 177.300 0.126 0.000 1.269 412 P CA -0.699 62.462 63.100 0.103 0.000 0.844 412 P CB 0.659 32.409 31.700 0.084 0.000 1.094 413 D N 1.229 121.697 120.400 0.113 0.000 2.772 413 D HA -0.189 4.479 4.640 0.047 0.000 0.227 413 D C 0.594 176.958 176.300 0.107 0.000 1.114 413 D CA 0.615 54.679 54.000 0.107 0.000 0.832 413 D CB 0.270 41.091 40.800 0.036 0.000 1.154 413 D HN 0.444 nan 8.370 nan 0.000 0.514 414 Y N 2.533 122.843 120.300 0.016 0.000 2.519 414 Y HA 0.121 4.699 4.550 0.047 0.000 0.287 414 Y C 1.670 177.577 175.900 0.011 0.000 1.128 414 Y CA -0.151 57.958 58.100 0.014 0.000 1.282 414 Y CB -0.079 38.389 38.460 0.013 0.000 1.027 414 Y HN 0.288 nan 8.280 nan 0.000 0.551 415 L N 0.647 121.500 121.223 -0.617 0.000 2.084 415 L HA -0.045 4.323 4.340 0.047 0.000 0.202 415 L C 2.597 179.360 176.870 -0.178 0.000 1.074 415 L CA 1.696 56.278 54.840 -0.429 0.000 0.757 415 L CB -0.692 41.077 42.059 -0.484 0.000 0.918 415 L HN 0.400 nan 8.230 nan 0.000 0.444 416 T N -3.789 110.692 114.554 -0.122 0.000 3.044 416 T HA 0.145 4.523 4.350 0.047 0.000 0.255 416 T C 1.340 176.030 174.700 -0.017 0.000 1.073 416 T CA 0.312 62.379 62.100 -0.055 0.000 1.125 416 T CB 0.324 69.167 68.868 -0.041 0.000 0.908 416 T HN 0.227 nan 8.240 nan 0.000 0.480 417 L N -1.026 120.196 121.223 -0.002 0.000 4.110 417 L HA -0.176 4.192 4.340 0.047 0.000 0.404 417 L C 0.327 177.221 176.870 0.040 0.000 0.763 417 L CA 0.570 55.427 54.840 0.028 0.000 2.413 417 L CB -1.779 40.294 42.059 0.025 0.000 1.244 417 L HN 0.379 nan 8.230 nan 0.000 0.614 418 E N 2.277 122.498 120.200 0.034 0.000 2.442 418 E HA 0.086 4.464 4.350 0.047 0.000 0.260 418 E C -1.920 174.724 176.600 0.072 0.000 1.148 418 E CA -0.745 55.685 56.400 0.051 0.000 0.976 418 E CB 0.326 30.053 29.700 0.044 0.000 0.967 418 E HN 0.186 nan 8.360 nan 0.000 0.454 419 P HA 0.111 nan 4.420 nan 0.000 0.287 419 P C -0.158 177.222 177.300 0.134 0.000 1.296 419 P CA -0.301 62.867 63.100 0.112 0.000 0.811 419 P CB 0.656 32.426 31.700 0.117 0.000 1.211 420 L N 0.247 121.576 121.223 0.177 0.000 2.672 420 L HA 0.080 4.447 4.340 0.047 0.000 0.236 420 L C 1.287 178.324 176.870 0.278 0.000 1.186 420 L CA 0.170 55.142 54.840 0.220 0.000 0.977 420 L CB -0.886 41.366 42.059 0.323 0.000 1.203 420 L HN 0.174 nan 8.230 nan 0.000 0.448 421 D N 1.373 121.918 120.400 0.242 0.000 2.097 421 D HA -0.182 4.485 4.640 0.047 0.000 0.197 421 D C 2.229 178.684 176.300 0.259 0.000 0.984 421 D CA 1.572 55.763 54.000 0.319 0.000 0.826 421 D CB 0.031 41.044 40.800 0.354 0.000 0.973 421 D HN 0.546 nan 8.370 nan 0.000 0.460 422 I N -0.652 120.001 120.570 0.137 0.000 2.361 422 I HA -0.046 4.152 4.170 0.047 0.000 0.251 422 I C 2.284 178.336 176.117 -0.108 0.000 1.133 422 I CA 1.367 62.623 61.300 -0.073 0.000 1.413 422 I CB -1.127 36.841 38.000 -0.053 0.000 1.073 422 I HN -0.125 nan 8.210 nan 0.000 0.424 423 G N 2.273 111.048 108.800 -0.041 0.000 2.875 423 G HA2 -0.349 3.638 3.960 0.047 0.000 0.227 423 G HA3 -0.349 3.638 3.960 0.047 0.000 0.227 423 G C 1.249 176.044 174.900 -0.175 0.000 1.259 423 G CA 1.718 46.738 45.100 -0.134 0.000 0.780 423 G HN 0.496 nan 8.290 nan 0.000 0.685 424 F N 2.093 122.029 119.950 -0.025 0.000 2.451 424 F HA 0.114 4.669 4.527 0.047 0.000 0.299 424 F C 2.817 178.574 175.800 -0.071 0.000 1.101 424 F CA 0.561 58.546 58.000 -0.025 0.000 1.436 424 F CB -0.288 38.727 39.000 0.025 0.000 1.074 424 F HN 0.262 nan 8.300 nan 0.000 0.553 425 G N 0.114 108.915 108.800 0.001 0.000 2.459 425 G HA2 -0.262 3.726 3.960 0.047 0.000 0.217 425 G HA3 -0.262 3.726 3.960 0.047 0.000 0.217 425 G C 1.960 176.691 174.900 -0.281 0.000 1.183 425 G CA 0.882 45.806 45.100 -0.293 0.000 0.776 425 G HN 0.417 nan 8.290 nan 0.000 0.552 426 A N 1.078 123.756 122.820 -0.236 0.000 1.873 426 A HA -0.090 4.258 4.320 0.047 0.000 0.218 426 A C 2.371 179.903 177.584 -0.087 0.000 1.193 426 A CA 1.788 53.753 52.037 -0.120 0.000 0.629 426 A CB -0.438 18.464 19.000 -0.164 0.000 0.826 426 A HN 0.269 nan 8.150 nan 0.000 0.447 427 I N 0.423 120.891 120.570 -0.169 0.000 2.087 427 I HA -0.262 3.936 4.170 0.047 0.000 0.240 427 I C 2.763 178.823 176.117 -0.095 0.000 1.054 427 I CA 2.152 63.333 61.300 -0.199 0.000 1.311 427 I CB -1.606 36.258 38.000 -0.227 0.000 1.024 427 I HN 0.395 nan 8.210 nan 0.000 0.402 428 V N -1.211 118.683 119.914 -0.033 0.000 2.515 428 V HA -0.171 3.977 4.120 0.047 0.000 0.250 428 V C 2.281 178.329 176.094 -0.076 0.000 1.058 428 V CA 1.829 64.140 62.300 0.017 0.000 1.064 428 V CB -1.035 30.869 31.823 0.133 0.000 0.675 428 V HN 0.468 nan 8.190 nan 0.000 0.461 429 E N -0.517 119.491 120.200 -0.319 0.000 2.152 429 E HA -0.196 4.182 4.350 0.047 0.000 0.192 429 E C 2.139 178.473 176.600 -0.444 0.000 0.983 429 E CA 1.223 57.228 56.400 -0.658 0.000 0.818 429 E CB -0.096 28.951 29.700 -1.088 0.000 0.758 429 E HN 0.796 nan 8.360 nan 0.000 0.467 430 H N -1.582 117.344 119.070 -0.240 0.000 2.595 430 H HA 0.131 4.715 4.556 0.047 0.000 0.265 430 H C 0.351 175.604 175.328 -0.124 0.000 0.953 430 H CA 0.283 56.225 56.048 -0.176 0.000 1.197 430 H CB 0.492 30.144 29.762 -0.185 0.000 1.438 430 H HN 0.158 nan 8.280 nan 0.000 0.531 431 C N 2.860 122.155 119.300 -0.008 0.000 2.203 431 C HA 0.210 4.698 4.460 0.047 0.000 0.413 431 C C 1.562 176.551 174.990 -0.002 0.000 1.054 431 C CA -0.838 58.169 59.018 -0.017 0.000 1.496 431 C CB -0.864 26.847 27.740 -0.049 0.000 1.573 431 C HN 0.354 nan 8.230 nan 0.000 0.498 432 K N 0.583 120.982 120.400 -0.002 0.000 2.520 432 K HA -0.119 4.229 4.320 0.047 0.000 0.197 432 K C 0.619 177.234 176.600 0.025 0.000 1.043 432 K CA 0.954 57.249 56.287 0.013 0.000 0.944 432 K CB 0.084 32.588 32.500 0.007 0.000 0.770 432 K HN 0.690 nan 8.250 nan 0.000 0.480 433 D N 0.609 121.023 120.400 0.023 0.000 2.431 433 D HA 0.003 4.671 4.640 0.047 0.000 0.213 433 D C -0.070 176.256 176.300 0.043 0.000 1.130 433 D CA -0.246 53.773 54.000 0.033 0.000 0.834 433 D CB 0.277 41.093 40.800 0.028 0.000 0.985 433 D HN 0.021 nan 8.370 nan 0.000 0.504 434 L N 2.680 123.929 121.223 0.043 0.000 2.771 434 L HA -0.125 4.243 4.340 0.047 0.000 0.278 434 L C 1.460 178.376 176.870 0.078 0.000 1.175 434 L CA 0.750 55.627 54.840 0.062 0.000 0.973 434 L CB 0.161 42.258 42.059 0.063 0.000 1.286 434 L HN 0.022 nan 8.230 nan 0.000 0.481 435 R N 3.664 124.212 120.500 0.082 0.000 2.437 435 R HA 0.295 4.663 4.340 0.047 0.000 0.257 435 R C 0.275 176.629 176.300 0.091 0.000 0.927 435 R CA -0.343 55.804 56.100 0.078 0.000 1.078 435 R CB 0.362 30.701 30.300 0.064 0.000 1.161 435 R HN 0.610 nan 8.270 nan 0.000 0.529 436 R N 0.563 121.126 120.500 0.106 0.000 2.566 436 R HA 0.438 4.806 4.340 0.047 0.000 0.271 436 R C -2.332 174.056 176.300 0.147 0.000 1.071 436 R CA -0.786 55.383 56.100 0.116 0.000 0.915 436 R CB 1.759 32.119 30.300 0.100 0.000 1.228 436 R HN 0.118 nan 8.270 nan 0.000 0.449 437 L N 2.555 123.869 121.223 0.151 0.000 2.526 437 L HA 0.656 5.024 4.340 0.047 0.000 0.263 437 L C -1.865 175.089 176.870 0.139 0.000 0.943 437 L CA 0.075 55.023 54.840 0.180 0.000 0.859 437 L CB 2.390 44.561 42.059 0.187 0.000 1.313 437 L HN 0.708 nan 8.230 nan 0.000 0.406 438 S N 5.487 121.256 115.700 0.115 0.000 2.538 438 S HA 0.888 5.386 4.470 0.047 0.000 0.288 438 S C -1.231 173.362 174.600 -0.011 0.000 1.108 438 S CA -0.601 57.639 58.200 0.068 0.000 0.971 438 S CB 1.117 64.362 63.200 0.075 0.000 1.041 438 S HN 0.715 nan 8.310 nan 0.000 0.483 439 L N 2.970 124.142 121.223 -0.085 0.000 2.303 439 L HA 0.872 5.240 4.340 0.047 0.000 0.266 439 L C -0.098 176.674 176.870 -0.163 0.000 1.011 439 L CA -0.633 54.019 54.840 -0.314 0.000 0.818 439 L CB 2.345 44.098 42.059 -0.509 0.000 1.326 439 L HN 1.011 nan 8.230 nan 0.000 0.435 440 S N -0.975 114.632 115.700 -0.155 0.000 2.680 440 S HA 0.784 5.282 4.470 0.047 0.000 0.276 440 S C -0.469 174.191 174.600 0.100 0.000 1.189 440 S CA -0.436 57.761 58.200 -0.005 0.000 0.909 440 S CB 0.820 64.022 63.200 0.003 0.000 1.227 440 S HN 1.360 nan 8.310 nan 0.000 0.501 441 G N -0.128 108.734 108.800 0.102 0.000 2.755 441 G HA2 0.195 4.183 3.960 0.047 0.000 0.686 441 G HA3 0.195 4.183 3.960 0.047 0.000 0.686 441 G C -0.723 174.244 174.900 0.112 0.000 1.427 441 G CA -0.533 44.645 45.100 0.130 0.000 0.873 441 G HN 1.672 nan 8.290 nan 0.000 0.580 442 L N 0.656 121.942 121.223 0.105 0.000 2.737 442 L HA 0.404 4.771 4.340 0.047 0.000 0.279 442 L C 0.299 177.245 176.870 0.127 0.000 1.200 442 L CA 1.015 55.920 54.840 0.108 0.000 0.952 442 L CB -0.523 41.596 42.059 0.099 0.000 1.240 442 L HN 0.535 nan 8.230 nan 0.000 0.486 443 L N 4.477 125.777 121.223 0.129 0.000 2.482 443 L HA 0.541 4.909 4.340 0.047 0.000 0.263 443 L C 0.072 177.054 176.870 0.187 0.000 0.957 443 L CA -0.609 54.309 54.840 0.131 0.000 0.836 443 L CB 2.311 44.410 42.059 0.066 0.000 1.324 443 L HN 0.671 nan 8.230 nan 0.000 0.406 444 T N -3.914 110.758 114.554 0.197 0.000 2.870 444 T HA 0.299 4.677 4.350 0.047 0.000 0.277 444 T C 0.435 175.336 174.700 0.334 0.000 1.000 444 T CA -0.702 61.531 62.100 0.221 0.000 0.982 444 T CB 1.520 70.481 68.868 0.157 0.000 1.249 444 T HN 0.480 nan 8.240 nan 0.000 0.589 445 D N -0.303 120.284 120.400 0.312 0.000 2.309 445 D HA -0.053 4.615 4.640 0.047 0.000 0.212 445 D C 1.723 178.219 176.300 0.327 0.000 0.968 445 D CA 0.821 55.069 54.000 0.413 0.000 0.882 445 D CB -0.062 40.890 40.800 0.254 0.000 0.918 445 D HN 0.561 nan 8.370 nan 0.000 0.503 446 K N 0.871 121.355 120.400 0.142 0.000 2.103 446 K HA -0.129 4.219 4.320 0.047 0.000 0.207 446 K C 1.947 178.376 176.600 -0.285 0.000 1.048 446 K CA 0.568 56.793 56.287 -0.104 0.000 0.930 446 K CB -0.435 32.003 32.500 -0.103 0.000 0.716 446 K HN -0.081 nan 8.250 nan 0.000 0.444 447 V N 0.355 120.249 119.914 -0.034 0.000 2.282 447 V HA -0.269 3.879 4.120 0.047 0.000 0.249 447 V C 1.701 177.735 176.094 -0.099 0.000 1.057 447 V CA 2.089 64.382 62.300 -0.011 0.000 1.032 447 V CB -0.455 31.296 31.823 -0.121 0.000 0.645 447 V HN 0.374 nan 8.190 nan 0.000 0.447 448 F N 0.364 120.362 119.950 0.080 0.000 2.202 448 F HA -0.145 4.410 4.527 0.047 0.000 0.301 448 F C 2.519 178.307 175.800 -0.020 0.000 1.082 448 F CA 1.909 59.961 58.000 0.087 0.000 1.313 448 F CB -0.616 38.467 39.000 0.139 0.000 1.024 448 F HN 0.231 nan 8.300 nan 0.000 0.495 449 E N -0.124 120.048 120.200 -0.046 0.000 2.077 449 E HA -0.226 4.152 4.350 0.047 0.000 0.193 449 E C 2.197 178.675 176.600 -0.203 0.000 0.989 449 E CA 1.562 57.692 56.400 -0.449 0.000 0.800 449 E CB -0.340 28.993 29.700 -0.613 0.000 0.746 449 E HN 0.546 nan 8.360 nan 0.000 0.452 450 Y N 0.366 120.683 120.300 0.029 0.000 2.145 450 Y HA -0.218 4.360 4.550 0.047 0.000 0.286 450 Y C 2.466 178.466 175.900 0.166 0.000 1.145 450 Y CA 0.665 58.868 58.100 0.173 0.000 1.148 450 Y CB -0.152 38.419 38.460 0.185 0.000 0.981 450 Y HN 0.050 nan 8.280 nan 0.000 0.507 451 I N -0.169 120.554 120.570 0.254 0.000 2.127 451 I HA -0.278 3.919 4.170 0.047 0.000 0.241 451 I C 2.688 178.891 176.117 0.142 0.000 1.075 451 I CA 1.629 63.047 61.300 0.196 0.000 1.334 451 I CB -0.848 37.240 38.000 0.147 0.000 1.040 451 I HN 0.282 nan 8.210 nan 0.000 0.405 452 G N -0.311 108.542 108.800 0.090 0.000 2.422 452 G HA2 -0.184 3.803 3.960 0.047 0.000 0.218 452 G HA3 -0.184 3.803 3.960 0.047 0.000 0.218 452 G C 1.644 176.511 174.900 -0.055 0.000 1.140 452 G CA 1.219 46.336 45.100 0.029 0.000 0.775 452 G HN 0.291 nan 8.290 nan 0.000 0.545 453 T N -0.547 113.919 114.554 -0.146 0.000 2.867 453 T HA -0.021 4.357 4.350 0.047 0.000 0.268 453 T C 1.822 176.281 174.700 -0.402 0.000 1.057 453 T CA 1.033 62.920 62.100 -0.355 0.000 1.136 453 T CB -0.189 68.277 68.868 -0.670 0.000 0.874 453 T HN 0.491 nan 8.240 nan 0.000 0.466 454 Y N -0.126 120.200 120.300 0.044 0.000 2.581 454 Y HA 0.498 5.076 4.550 0.047 0.000 0.271 454 Y C 1.891 177.807 175.900 0.026 0.000 1.100 454 Y CA -0.475 57.640 58.100 0.025 0.000 1.281 454 Y CB 0.494 38.970 38.460 0.026 0.000 1.237 454 Y HN 0.020 nan 8.280 nan 0.000 0.514 455 A N 1.232 124.173 122.820 0.201 0.000 3.029 455 A HA 0.096 4.444 4.320 0.047 0.000 0.251 455 A C 1.166 178.810 177.584 0.101 0.000 1.749 455 A CA 0.030 52.153 52.037 0.143 0.000 1.386 455 A CB -0.429 18.655 19.000 0.140 0.000 1.043 455 A HN 0.186 nan 8.150 nan 0.000 0.638 456 K N 0.463 120.917 120.400 0.090 0.000 2.366 456 K HA -0.010 4.338 4.320 0.047 0.000 0.198 456 K C 0.798 177.434 176.600 0.060 0.000 1.044 456 K CA 0.702 57.027 56.287 0.063 0.000 0.973 456 K CB 0.178 32.708 32.500 0.050 0.000 0.767 456 K HN 0.492 nan 8.250 nan 0.000 0.475 457 K N 0.405 120.844 120.400 0.064 0.000 2.374 457 K HA 0.143 4.491 4.320 0.047 0.000 0.196 457 K C 0.995 177.636 176.600 0.069 0.000 1.023 457 K CA -0.200 56.122 56.287 0.059 0.000 1.103 457 K CB 0.136 32.668 32.500 0.052 0.000 0.848 457 K HN 0.152 nan 8.250 nan 0.000 0.528 458 M N 1.773 121.421 119.600 0.079 0.000 2.251 458 M HA -0.098 4.410 4.480 0.047 0.000 0.343 458 M C 0.294 176.646 176.300 0.087 0.000 1.245 458 M CA 1.158 56.512 55.300 0.089 0.000 1.061 458 M CB 0.475 33.136 32.600 0.103 0.000 1.723 458 M HN 0.095 nan 8.290 nan 0.000 0.449 459 E N 3.704 123.958 120.200 0.090 0.000 2.453 459 E HA 0.201 4.579 4.350 0.047 0.000 0.211 459 E C -0.275 176.387 176.600 0.103 0.000 0.897 459 E CA 0.070 56.524 56.400 0.091 0.000 1.063 459 E CB 0.845 30.595 29.700 0.084 0.000 1.080 459 E HN 0.754 nan 8.360 nan 0.000 0.512 460 M N 1.755 121.420 119.600 0.110 0.000 2.326 460 M HA 0.435 4.943 4.480 0.047 0.000 0.292 460 M C -2.284 174.099 176.300 0.138 0.000 1.081 460 M CA -1.032 54.342 55.300 0.123 0.000 0.919 460 M CB 2.233 34.901 32.600 0.112 0.000 1.634 460 M HN 0.039 nan 8.290 nan 0.000 0.451 461 L N 3.560 124.877 121.223 0.157 0.000 2.455 461 L HA 0.814 5.182 4.340 0.047 0.000 0.264 461 L C -1.739 175.253 176.870 0.202 0.000 0.968 461 L CA 0.231 55.173 54.840 0.170 0.000 0.827 461 L CB 2.738 44.900 42.059 0.172 0.000 1.317 461 L HN 0.748 nan 8.230 nan 0.000 0.407 462 S N 2.892 118.721 115.700 0.216 0.000 2.541 462 S HA 0.960 5.458 4.470 0.047 0.000 0.280 462 S C -1.449 173.302 174.600 0.251 0.000 1.112 462 S CA -0.598 57.777 58.200 0.292 0.000 0.925 462 S CB 2.135 65.559 63.200 0.374 0.000 1.067 462 S HN 0.516 nan 8.310 nan 0.000 0.479 463 V N 0.856 120.957 119.914 0.311 0.000 2.969 463 V HA 0.947 5.095 4.120 0.047 0.000 0.304 463 V C -0.883 175.356 176.094 0.242 0.000 1.192 463 V CA -0.676 61.779 62.300 0.258 0.000 0.962 463 V CB 1.699 33.741 31.823 0.365 0.000 1.045 463 V HN 1.134 nan 8.190 nan 0.000 0.428 464 A N 2.059 124.973 122.820 0.158 0.000 2.566 464 A HA 0.821 5.169 4.320 0.047 0.000 0.297 464 A C -0.636 177.064 177.584 0.192 0.000 1.059 464 A CA -0.587 51.518 52.037 0.113 0.000 0.691 464 A CB 0.743 19.841 19.000 0.163 0.000 1.282 464 A HN 1.409 nan 8.150 nan 0.000 0.401 465 F N -1.180 118.754 119.950 -0.026 0.000 3.056 465 F HA -0.146 4.409 4.527 0.046 0.000 0.266 465 F C 0.983 176.774 175.800 -0.013 0.000 0.957 465 F CA 1.359 59.338 58.000 -0.035 0.000 0.894 465 F CB -1.552 37.431 39.000 -0.027 0.000 0.832 465 F HN 1.163 nan 8.300 nan 0.000 0.745 466 A N -0.351 122.522 122.820 0.088 0.000 2.387 466 A HA 0.946 5.294 4.320 0.047 0.000 0.303 466 A C 0.590 178.236 177.584 0.103 0.000 1.145 466 A CA -0.245 51.893 52.037 0.169 0.000 0.801 466 A CB 1.418 20.591 19.000 0.289 0.000 1.342 466 A HN 1.800 nan 8.150 nan 0.000 0.440 467 G N -0.297 108.695 108.800 0.318 0.000 2.730 467 G HA2 0.019 4.006 3.960 0.047 0.000 0.686 467 G HA3 0.019 4.006 3.960 0.047 0.000 0.686 467 G C -0.404 174.602 174.900 0.178 0.000 1.343 467 G CA 0.214 45.536 45.100 0.369 0.000 0.826 467 G HN 0.659 nan 8.290 nan 0.000 0.582 468 D N -0.573 119.960 120.400 0.221 0.000 2.431 468 D HA 0.294 4.962 4.640 0.047 0.000 0.227 468 D C 1.572 177.947 176.300 0.126 0.000 1.030 468 D CA 1.675 55.759 54.000 0.141 0.000 0.897 468 D CB 0.735 41.611 40.800 0.128 0.000 1.058 468 D HN 1.188 nan 8.370 nan 0.000 0.500 469 S N -0.814 114.988 115.700 0.170 0.000 2.683 469 S HA 0.183 4.681 4.470 0.047 0.000 0.269 469 S C -0.679 173.979 174.600 0.097 0.000 1.165 469 S CA -0.646 57.626 58.200 0.119 0.000 0.840 469 S CB 1.080 64.311 63.200 0.051 0.000 1.169 469 S HN -0.271 nan 8.310 nan 0.000 0.490 470 D N 0.723 121.118 120.400 -0.008 0.000 2.348 470 D HA 0.156 4.824 4.640 0.047 0.000 0.216 470 D C 1.695 177.850 176.300 -0.242 0.000 0.970 470 D CA 0.386 54.291 54.000 -0.159 0.000 0.889 470 D CB -0.209 40.518 40.800 -0.122 0.000 0.912 470 D HN 0.405 nan 8.370 nan 0.000 0.524 471 L N 0.608 121.732 121.223 -0.167 0.000 2.013 471 L HA -0.199 4.169 4.340 0.047 0.000 0.212 471 L C 2.386 179.038 176.870 -0.364 0.000 1.073 471 L CA 1.686 56.389 54.840 -0.230 0.000 0.753 471 L CB -0.850 41.142 42.059 -0.113 0.000 0.890 471 L HN 0.217 nan 8.230 nan 0.000 0.432 472 G N -0.359 108.274 108.800 -0.278 0.000 2.628 472 G HA2 -0.412 3.576 3.960 0.047 0.000 0.217 472 G HA3 -0.412 3.576 3.960 0.047 0.000 0.217 472 G C 1.534 175.972 174.900 -0.770 0.000 1.240 472 G CA 1.155 45.979 45.100 -0.459 0.000 0.792 472 G HN 0.351 nan 8.290 nan 0.000 0.593 473 M N -0.090 118.723 119.600 -1.310 0.000 2.260 473 M HA -0.168 4.340 4.480 0.047 0.000 0.261 473 M C 2.275 178.300 176.300 -0.458 0.000 1.066 473 M CA 2.365 57.057 55.300 -1.012 0.000 1.082 473 M CB -0.169 31.771 32.600 -1.101 0.000 1.388 473 M HN 0.575 nan 8.290 nan 0.000 0.419 474 H N -0.645 118.147 119.070 -0.464 0.000 2.307 474 H HA -0.137 4.447 4.556 0.047 0.000 0.303 474 H C 1.784 176.971 175.328 -0.234 0.000 1.073 474 H CA 2.277 58.125 56.048 -0.333 0.000 1.338 474 H CB -0.354 29.199 29.762 -0.350 0.000 1.389 474 H HN 0.465 nan 8.280 nan 0.000 0.503 475 H N -0.408 118.460 119.070 -0.338 0.000 2.492 475 H HA -0.098 4.486 4.556 0.047 0.000 0.296 475 H C 2.343 177.566 175.328 -0.176 0.000 1.095 475 H CA 1.334 57.219 56.048 -0.272 0.000 1.281 475 H CB -0.328 29.386 29.762 -0.079 0.000 1.374 475 H HN 0.304 nan 8.280 nan 0.000 0.545 476 V N 0.949 120.846 119.914 -0.029 0.000 2.273 476 V HA -0.176 3.972 4.120 0.047 0.000 0.242 476 V C 2.763 178.835 176.094 -0.036 0.000 1.035 476 V CA 1.085 63.404 62.300 0.031 0.000 1.013 476 V CB -0.667 31.220 31.823 0.108 0.000 0.652 476 V HN 0.187 nan 8.190 nan 0.000 0.452 477 L N 0.405 121.574 121.223 -0.090 0.000 2.127 477 L HA -0.166 4.202 4.340 0.047 0.000 0.211 477 L C 2.653 179.466 176.870 -0.096 0.000 1.089 477 L CA 1.714 56.513 54.840 -0.069 0.000 0.757 477 L CB -0.797 41.225 42.059 -0.062 0.000 0.899 477 L HN 0.376 nan 8.230 nan 0.000 0.434 478 S N 0.395 115.967 115.700 -0.214 0.000 2.336 478 S HA -0.127 4.371 4.470 0.047 0.000 0.214 478 S C 2.116 176.657 174.600 -0.099 0.000 1.032 478 S CA 1.451 59.519 58.200 -0.221 0.000 1.001 478 S CB -0.690 62.182 63.200 -0.547 0.000 0.953 478 S HN 0.468 nan 8.310 nan 0.000 0.430 479 G N 0.250 109.004 108.800 -0.077 0.000 2.450 479 G HA2 -0.147 3.841 3.960 0.047 0.000 0.220 479 G HA3 -0.147 3.841 3.960 0.047 0.000 0.220 479 G C 0.609 175.507 174.900 -0.004 0.000 1.130 479 G CA 0.974 46.055 45.100 -0.032 0.000 0.760 479 G HN 0.599 nan 8.290 nan 0.000 0.557 480 C N 2.072 121.380 119.300 0.013 0.000 2.192 480 C HA 0.305 4.793 4.460 0.047 0.000 0.337 480 C C 1.032 176.043 174.990 0.035 0.000 1.103 480 C CA -1.206 57.835 59.018 0.038 0.000 1.581 480 C CB 0.041 27.817 27.740 0.061 0.000 2.070 480 C HN 0.402 nan 8.230 nan 0.000 0.485 481 D N 1.179 121.597 120.400 0.031 0.000 2.182 481 D HA -0.093 4.575 4.640 0.047 0.000 0.201 481 D C 1.671 177.996 176.300 0.041 0.000 0.986 481 D CA 1.379 55.398 54.000 0.031 0.000 0.847 481 D CB 0.015 40.831 40.800 0.027 0.000 0.942 481 D HN 0.538 nan 8.370 nan 0.000 0.467 482 S N -0.273 115.458 115.700 0.051 0.000 2.540 482 S HA 0.148 4.646 4.470 0.047 0.000 0.218 482 S C 0.962 175.602 174.600 0.067 0.000 0.977 482 S CA -0.444 57.791 58.200 0.057 0.000 0.918 482 S CB 0.644 63.879 63.200 0.058 0.000 0.806 482 S HN 0.218 nan 8.310 nan 0.000 0.496 483 L N 2.680 123.944 121.223 0.067 0.000 2.615 483 L HA -0.001 4.366 4.340 0.047 0.000 0.284 483 L C 1.250 178.170 176.870 0.083 0.000 1.237 483 L CA 0.608 55.495 54.840 0.078 0.000 0.905 483 L CB 0.441 42.544 42.059 0.074 0.000 1.149 483 L HN 0.294 nan 8.230 nan 0.000 0.499 484 R N 2.709 123.267 120.500 0.097 0.000 2.320 484 R HA 0.221 4.589 4.340 0.047 0.000 0.193 484 R C -0.223 176.152 176.300 0.124 0.000 0.885 484 R CA -0.046 56.118 56.100 0.107 0.000 1.085 484 R CB 0.498 30.864 30.300 0.111 0.000 1.253 484 R HN 0.481 nan 8.270 nan 0.000 0.636 485 K N 1.333 121.810 120.400 0.129 0.000 2.345 485 K HA 0.431 4.779 4.320 0.047 0.000 0.255 485 K C -1.631 175.055 176.600 0.143 0.000 0.934 485 K CA -0.721 55.654 56.287 0.147 0.000 0.801 485 K CB 2.551 35.139 32.500 0.146 0.000 1.137 485 K HN -0.178 nan 8.250 nan 0.000 0.424 486 L N 2.095 123.408 121.223 0.150 0.000 2.422 486 L HA 0.459 4.827 4.340 0.047 0.000 0.264 486 L C -1.771 175.181 176.870 0.137 0.000 0.984 486 L CA -0.101 54.825 54.840 0.145 0.000 0.819 486 L CB 1.946 44.084 42.059 0.132 0.000 1.330 486 L HN 0.801 nan 8.230 nan 0.000 0.410 487 E N 5.117 125.377 120.200 0.101 0.000 2.354 487 E HA 0.720 5.098 4.350 0.047 0.000 0.283 487 E C -1.580 175.051 176.600 0.050 0.000 0.938 487 E CA -0.814 55.550 56.400 -0.060 0.000 0.777 487 E CB 2.202 31.590 29.700 -0.520 0.000 1.222 487 E HN 0.532 nan 8.360 nan 0.000 0.423 488 I N 1.257 121.933 120.570 0.177 0.000 2.722 488 I HA 0.491 4.689 4.170 0.047 0.000 0.292 488 I C -1.339 175.017 176.117 0.400 0.000 1.267 488 I CA -0.950 60.539 61.300 0.315 0.000 1.036 488 I CB 2.253 40.418 38.000 0.276 0.000 1.281 488 I HN 0.639 nan 8.210 nan 0.000 0.423 489 R N 1.567 122.246 120.500 0.297 0.000 2.668 489 R HA 0.590 4.958 4.340 0.047 0.000 0.272 489 R C -1.125 175.038 176.300 -0.228 0.000 1.019 489 R CA -0.992 55.205 56.100 0.161 0.000 0.894 489 R CB 0.631 31.127 30.300 0.327 0.000 1.228 489 R HN 0.550 nan 8.270 nan 0.000 0.460 490 D N -0.276 119.925 120.400 -0.333 0.000 2.701 490 D HA -0.201 4.467 4.640 0.047 0.000 0.235 490 D C -0.730 175.223 176.300 -0.578 0.000 1.155 490 D CA 1.147 54.784 54.000 -0.605 0.000 0.649 490 D CB -1.111 38.851 40.800 -1.397 0.000 1.050 490 D HN 0.596 nan 8.370 nan 0.000 0.425 491 C N -0.056 118.966 119.300 -0.463 0.000 2.486 491 C HA 0.632 5.120 4.460 0.047 0.000 0.348 491 C C -1.874 172.804 174.990 -0.520 0.000 1.203 491 C CA -1.532 57.112 59.018 -0.624 0.000 1.911 491 C CB 1.483 28.505 27.740 -1.198 0.000 2.340 491 C HN 0.142 nan 8.230 nan 0.000 0.511 492 P HA 0.306 nan 4.420 nan 0.000 0.219 492 P C -0.995 176.366 177.300 0.102 0.000 1.832 492 P CA 0.526 63.553 63.100 -0.121 0.000 1.014 492 P CB -0.555 31.115 31.700 -0.050 0.000 1.939 493 F N 0.321 120.229 119.950 -0.071 0.000 2.565 493 F HA 0.693 5.248 4.527 0.046 0.000 0.313 493 F C 0.981 176.742 175.800 -0.065 0.000 1.091 493 F CA -0.916 57.032 58.000 -0.087 0.000 0.915 493 F CB 2.939 41.877 39.000 -0.103 0.000 1.208 493 F HN 0.141 nan 8.300 nan 0.000 0.453 494 G N 1.247 110.115 108.800 0.115 0.000 3.000 494 G HA2 0.134 4.122 3.960 0.047 0.000 0.170 494 G HA3 0.134 4.122 3.960 0.047 0.000 0.170 494 G C -0.479 174.419 174.900 -0.004 0.000 1.160 494 G CA -0.228 44.897 45.100 0.041 0.000 0.945 494 G HN 0.415 nan 8.290 nan 0.000 0.593 495 D N 0.410 120.798 120.400 -0.019 0.000 2.117 495 D HA -0.012 4.656 4.640 0.047 0.000 0.198 495 D C 2.254 178.520 176.300 -0.056 0.000 0.982 495 D CA 1.100 55.076 54.000 -0.039 0.000 0.828 495 D CB 0.013 40.788 40.800 -0.041 0.000 0.967 495 D HN 0.398 nan 8.370 nan 0.000 0.464 496 K N 0.921 121.282 120.400 -0.064 0.000 2.002 496 K HA -0.022 4.325 4.320 0.047 0.000 0.209 496 K C 2.221 178.759 176.600 -0.104 0.000 1.048 496 K CA 1.376 57.609 56.287 -0.089 0.000 0.930 496 K CB -0.236 32.204 32.500 -0.100 0.000 0.714 496 K HN 0.060 nan 8.250 nan 0.000 0.438 497 A N 1.493 124.248 122.820 -0.109 0.000 1.930 497 A HA -0.123 4.225 4.320 0.047 0.000 0.217 497 A C 2.126 179.672 177.584 -0.063 0.000 1.175 497 A CA 1.053 53.031 52.037 -0.098 0.000 0.627 497 A CB -0.453 18.447 19.000 -0.166 0.000 0.815 497 A HN 0.238 nan 8.150 nan 0.000 0.443 498 L N -0.267 120.915 121.223 -0.069 0.000 1.988 498 L HA -0.040 4.328 4.340 0.047 0.000 0.207 498 L C 2.230 179.072 176.870 -0.047 0.000 1.071 498 L CA 1.830 56.639 54.840 -0.053 0.000 0.744 498 L CB -0.756 41.276 42.059 -0.045 0.000 0.893 498 L HN 0.357 nan 8.230 nan 0.000 0.433 499 L N -0.297 120.894 121.223 -0.054 0.000 2.093 499 L HA -0.072 4.296 4.340 0.047 0.000 0.208 499 L C 2.690 179.531 176.870 -0.049 0.000 1.085 499 L CA 1.062 55.870 54.840 -0.054 0.000 0.755 499 L CB -1.040 40.982 42.059 -0.061 0.000 0.904 499 L HN 0.352 nan 8.230 nan 0.000 0.435 500 A N 0.436 123.221 122.820 -0.059 0.000 1.986 500 A HA -0.230 4.118 4.320 0.047 0.000 0.220 500 A C 1.558 179.139 177.584 -0.004 0.000 1.171 500 A CA 2.239 54.243 52.037 -0.055 0.000 0.640 500 A CB -0.671 18.260 19.000 -0.116 0.000 0.811 500 A HN 0.555 nan 8.150 nan 0.000 0.451 501 N N -1.082 117.624 118.700 0.010 0.000 2.328 501 N HA 0.457 5.225 4.740 0.047 0.000 0.247 501 N C 1.104 176.612 175.510 -0.004 0.000 1.165 501 N CA 0.497 53.558 53.050 0.019 0.000 0.873 501 N CB 0.431 38.936 38.487 0.030 0.000 1.125 501 N HN 0.378 nan 8.380 nan 0.000 0.513 502 A N 0.506 123.317 122.820 -0.016 0.000 1.940 502 A HA -0.273 4.075 4.320 0.047 0.000 0.221 502 A C 2.186 179.758 177.584 -0.020 0.000 1.190 502 A CA 2.354 54.376 52.037 -0.025 0.000 0.647 502 A CB -0.712 18.267 19.000 -0.034 0.000 0.821 502 A HN 0.446 nan 8.150 nan 0.000 0.457 503 S N -1.038 114.654 115.700 -0.012 0.000 2.528 503 S HA 0.018 4.516 4.470 0.047 0.000 0.219 503 S C 1.594 176.194 174.600 0.000 0.000 0.985 503 S CA 1.050 59.245 58.200 -0.008 0.000 0.914 503 S CB -0.012 63.184 63.200 -0.006 0.000 0.776 503 S HN 0.547 nan 8.310 nan 0.000 0.526 504 K N 2.289 122.690 120.400 0.002 0.000 2.063 504 K HA 0.075 4.423 4.320 0.047 0.000 0.208 504 K C 1.810 178.418 176.600 0.013 0.000 1.048 504 K CA 1.308 57.600 56.287 0.008 0.000 0.928 504 K CB -0.820 31.683 32.500 0.004 0.000 0.713 504 K HN 0.437 nan 8.250 nan 0.000 0.442 505 L N 0.550 121.775 121.223 0.005 0.000 2.263 505 L HA -0.207 4.161 4.340 0.047 0.000 0.216 505 L C 1.872 178.749 176.870 0.012 0.000 1.111 505 L CA 1.431 56.274 54.840 0.006 0.000 0.773 505 L CB -0.485 41.565 42.059 -0.015 0.000 0.906 505 L HN 0.356 nan 8.230 nan 0.000 0.439 506 E N -0.534 119.672 120.200 0.010 0.000 2.481 506 E HA -0.082 4.296 4.350 0.047 0.000 0.195 506 E C 1.544 178.165 176.600 0.035 0.000 1.047 506 E CA 0.999 57.410 56.400 0.018 0.000 0.867 506 E CB 0.222 29.927 29.700 0.009 0.000 0.858 506 E HN 0.504 nan 8.360 nan 0.000 0.513 507 T N -2.021 112.556 114.554 0.038 0.000 3.145 507 T HA 0.327 4.705 4.350 0.047 0.000 0.255 507 T C 0.393 175.130 174.700 0.061 0.000 1.039 507 T CA -0.242 61.887 62.100 0.047 0.000 0.928 507 T CB 0.102 68.994 68.868 0.040 0.000 1.029 507 T HN -0.136 nan 8.240 nan 0.000 0.554 508 M N 0.492 120.133 119.600 0.068 0.000 2.619 508 M HA 0.500 5.008 4.480 0.047 0.000 0.297 508 M C 0.975 177.336 176.300 0.101 0.000 1.229 508 M CA -1.034 54.316 55.300 0.084 0.000 0.860 508 M CB 3.138 35.785 32.600 0.078 0.000 1.741 508 M HN -0.132 nan 8.290 nan 0.000 0.462 509 R N 0.675 121.248 120.500 0.123 0.000 2.112 509 R HA 0.149 4.517 4.340 0.047 0.000 0.216 509 R C -0.099 176.309 176.300 0.180 0.000 1.080 509 R CA 1.098 57.284 56.100 0.142 0.000 0.996 509 R CB 0.528 30.912 30.300 0.139 0.000 0.902 509 R HN 0.769 nan 8.270 nan 0.000 0.449 510 S N -0.400 115.416 115.700 0.193 0.000 2.552 510 S HA 0.450 4.948 4.470 0.047 0.000 0.272 510 S C -1.615 173.128 174.600 0.238 0.000 1.150 510 S CA -1.105 57.241 58.200 0.243 0.000 0.849 510 S CB 1.664 65.151 63.200 0.479 0.000 1.113 510 S HN 0.089 nan 8.310 nan 0.000 0.458 511 L N 2.230 123.592 121.223 0.231 0.000 2.401 511 L HA 0.890 5.258 4.340 0.047 0.000 0.266 511 L C -1.696 175.408 176.870 0.389 0.000 0.991 511 L CA -0.286 54.691 54.840 0.229 0.000 0.818 511 L CB 1.929 44.057 42.059 0.115 0.000 1.321 511 L HN 0.981 nan 8.230 nan 0.000 0.413 512 W N 7.585 128.980 121.300 0.158 0.000 2.998 512 W HA 0.698 5.386 4.660 0.048 0.000 0.335 512 W C -2.414 174.127 176.519 0.036 0.000 1.110 512 W CA -1.016 56.429 57.345 0.166 0.000 1.230 512 W CB 2.066 31.472 29.460 -0.091 0.000 1.405 512 W HN 0.536 nan 8.180 nan 0.000 0.493 513 M N 6.022 125.234 119.600 -0.646 0.000 2.238 513 M HA 0.246 4.754 4.480 0.047 0.000 0.278 513 M C -0.800 175.260 176.300 -0.400 0.000 1.040 513 M CA -0.409 54.750 55.300 -0.236 0.000 0.969 513 M CB 2.422 34.974 32.600 -0.080 0.000 1.694 513 M HN 0.377 nan 8.290 nan 0.000 0.472 514 S N 0.021 115.705 115.700 -0.027 0.000 2.540 514 S HA 0.618 5.116 4.470 0.047 0.000 0.275 514 S C 0.117 174.777 174.600 0.101 0.000 1.123 514 S CA -0.743 57.503 58.200 0.076 0.000 0.907 514 S CB 1.785 65.273 63.200 0.480 0.000 1.081 514 S HN 0.789 nan 8.310 nan 0.000 0.476 515 S N -0.500 115.230 115.700 0.049 0.000 3.419 515 S HA -0.189 4.309 4.470 0.047 0.000 0.350 515 S C 0.704 175.273 174.600 -0.052 0.000 1.128 515 S CA 0.997 59.194 58.200 -0.005 0.000 0.999 515 S CB -2.687 60.496 63.200 -0.027 0.000 0.923 515 S HN 0.859 nan 8.310 nan 0.000 0.522 516 C N 1.489 120.767 119.300 -0.036 0.000 2.555 516 C HA 0.708 5.196 4.460 0.047 0.000 0.364 516 C C 1.392 176.371 174.990 -0.017 0.000 2.249 516 C CA -0.117 58.875 59.018 -0.044 0.000 1.843 516 C CB 0.959 28.695 27.740 -0.007 0.000 1.954 516 C HN 0.727 nan 8.230 nan 0.000 0.458 517 S N 0.010 115.712 115.700 0.003 0.000 2.150 517 S HA 0.500 4.997 4.470 0.047 0.000 0.171 517 S C -1.016 173.596 174.600 0.020 0.000 1.620 517 S CA -0.370 57.836 58.200 0.010 0.000 1.190 517 S CB -0.012 63.193 63.200 0.008 0.000 1.102 517 S HN 0.418 nan 8.310 nan 0.000 0.464 518 V N 3.397 123.321 119.914 0.018 0.000 2.347 518 V HA 0.559 4.707 4.120 0.047 0.000 0.280 518 V C 0.564 176.675 176.094 0.028 0.000 1.021 518 V CA -0.502 61.806 62.300 0.014 0.000 0.847 518 V CB 1.437 33.264 31.823 0.006 0.000 0.990 518 V HN 0.918 nan 8.190 nan 0.000 0.444 519 S N 4.704 120.419 115.700 0.024 0.000 2.610 519 S HA 0.318 4.816 4.470 0.047 0.000 0.273 519 S C 0.891 175.544 174.600 0.088 0.000 1.274 519 S CA -0.366 57.865 58.200 0.052 0.000 1.023 519 S CB 0.864 64.078 63.200 0.022 0.000 0.962 519 S HN 0.591 nan 8.310 nan 0.000 0.523 520 F N 3.205 123.127 119.950 -0.046 0.000 2.115 520 F HA -0.013 4.542 4.527 0.046 0.000 0.300 520 F C 2.115 177.879 175.800 -0.059 0.000 1.092 520 F CA 1.869 59.834 58.000 -0.059 0.000 1.245 520 F CB -1.192 37.759 39.000 -0.082 0.000 0.995 520 F HN 0.798 nan 8.300 nan 0.000 0.481 521 G N -0.010 108.625 108.800 -0.275 0.000 2.586 521 G HA2 -0.343 3.645 3.960 0.047 0.000 0.218 521 G HA3 -0.343 3.645 3.960 0.047 0.000 0.218 521 G C 1.885 176.629 174.900 -0.260 0.000 1.216 521 G CA 1.596 46.495 45.100 -0.334 0.000 0.786 521 G HN 0.684 nan 8.290 nan 0.000 0.583 522 A N -0.480 122.254 122.820 -0.143 0.000 1.978 522 A HA -0.106 4.242 4.320 0.047 0.000 0.220 522 A C 2.611 180.120 177.584 -0.124 0.000 1.170 522 A CA 1.962 53.930 52.037 -0.115 0.000 0.636 522 A CB -0.947 18.009 19.000 -0.073 0.000 0.810 522 A HN 0.477 nan 8.150 nan 0.000 0.448 523 C N -0.981 118.246 119.300 -0.123 0.000 2.455 523 C HA -0.093 4.395 4.460 0.047 0.000 0.281 523 C C 2.573 177.478 174.990 -0.142 0.000 1.237 523 C CA 1.212 60.179 59.018 -0.085 0.000 1.726 523 C CB -1.125 26.632 27.740 0.028 0.000 2.068 523 C HN 0.669 nan 8.230 nan 0.000 0.466 524 K N 0.266 120.501 120.400 -0.275 0.000 2.066 524 K HA -0.308 4.040 4.320 0.047 0.000 0.221 524 K C 1.835 178.320 176.600 -0.192 0.000 1.056 524 K CA 1.995 58.109 56.287 -0.289 0.000 0.950 524 K CB -0.635 31.570 32.500 -0.491 0.000 0.726 524 K HN 0.452 nan 8.250 nan 0.000 0.456 525 L N 0.614 121.726 121.223 -0.185 0.000 1.989 525 L HA -0.232 4.136 4.340 0.047 0.000 0.211 525 L C 2.396 179.204 176.870 -0.103 0.000 1.071 525 L CA 1.047 55.809 54.840 -0.130 0.000 0.749 525 L CB -0.289 41.701 42.059 -0.116 0.000 0.890 525 L HN 0.225 nan 8.230 nan 0.000 0.431 526 L N -0.077 121.087 121.223 -0.099 0.000 2.013 526 L HA -0.181 4.187 4.340 0.047 0.000 0.212 526 L C 2.323 179.143 176.870 -0.084 0.000 1.073 526 L CA 2.248 57.039 54.840 -0.083 0.000 0.753 526 L CB -1.219 40.794 42.059 -0.077 0.000 0.890 526 L HN 0.298 nan 8.230 nan 0.000 0.432 527 G N -1.746 107.001 108.800 -0.089 0.000 2.475 527 G HA2 -0.296 3.692 3.960 0.047 0.000 0.220 527 G HA3 -0.296 3.692 3.960 0.047 0.000 0.220 527 G C 1.518 176.371 174.900 -0.079 0.000 1.125 527 G CA 0.985 46.033 45.100 -0.086 0.000 0.755 527 G HN 0.567 nan 8.290 nan 0.000 0.565 528 Q N -0.665 119.089 119.800 -0.078 0.000 2.259 528 Q HA 0.101 4.469 4.340 0.047 0.000 0.201 528 Q C 2.460 178.423 176.000 -0.062 0.000 0.938 528 Q CA 0.573 56.336 55.803 -0.068 0.000 0.872 528 Q CB -0.022 28.674 28.738 -0.070 0.000 0.971 528 Q HN 0.477 nan 8.270 nan 0.000 0.494 529 K N 0.217 120.579 120.400 -0.064 0.000 2.152 529 K HA -0.098 4.250 4.320 0.047 0.000 0.206 529 K C 0.410 176.978 176.600 -0.053 0.000 1.048 529 K CA 0.935 57.189 56.287 -0.055 0.000 0.933 529 K CB 0.286 32.752 32.500 -0.055 0.000 0.721 529 K HN 0.098 nan 8.250 nan 0.000 0.447 530 M N 1.348 120.911 119.600 -0.061 0.000 2.488 530 M HA 0.178 4.686 4.480 0.047 0.000 0.204 530 M C -2.221 174.037 176.300 -0.071 0.000 0.969 530 M CA -1.810 53.453 55.300 -0.062 0.000 0.720 530 M CB 1.074 33.634 32.600 -0.067 0.000 1.427 530 M HN -0.151 nan 8.290 nan 0.000 0.427 531 P HA -0.204 nan 4.420 nan 0.000 0.217 531 P C 1.064 178.318 177.300 -0.076 0.000 1.162 531 P CA 1.825 64.887 63.100 -0.063 0.000 0.901 531 P CB 0.175 31.847 31.700 -0.048 0.000 0.793 532 K N -0.936 119.425 120.400 -0.064 0.000 2.209 532 K HA -0.024 4.324 4.320 0.047 0.000 0.204 532 K C 1.089 177.633 176.600 -0.093 0.000 1.048 532 K CA 0.323 56.573 56.287 -0.061 0.000 0.940 532 K CB -0.494 31.986 32.500 -0.033 0.000 0.729 532 K HN 0.184 nan 8.250 nan 0.000 0.451 533 L N 2.415 123.566 121.223 -0.121 0.000 2.456 533 L HA 0.016 4.384 4.340 0.047 0.000 0.272 533 L C -0.067 176.624 176.870 -0.299 0.000 1.189 533 L CA -0.388 54.330 54.840 -0.204 0.000 0.846 533 L CB 0.176 42.130 42.059 -0.175 0.000 1.111 533 L HN 0.135 nan 8.230 nan 0.000 0.475 534 N N 2.196 120.565 118.700 -0.553 0.000 2.419 534 N HA 0.269 5.037 4.740 0.047 0.000 0.264 534 N C -0.707 174.475 175.510 -0.547 0.000 1.031 534 N CA -0.304 52.409 53.050 -0.561 0.000 0.951 534 N CB 1.909 39.969 38.487 -0.713 0.000 1.101 534 N HN 0.190 nan 8.380 nan 0.000 0.488 535 V N 2.428 122.176 119.914 -0.277 0.000 2.370 535 V HA 0.267 4.415 4.120 0.047 0.000 0.279 535 V C 0.157 176.220 176.094 -0.052 0.000 1.029 535 V CA -0.478 61.726 62.300 -0.161 0.000 0.870 535 V CB 0.976 32.738 31.823 -0.102 0.000 0.984 535 V HN 0.544 nan 8.190 nan 0.000 0.451 536 E N 3.355 123.578 120.200 0.038 0.000 2.210 536 E HA 0.599 4.977 4.350 0.047 0.000 0.266 536 E C -1.474 175.257 176.600 0.217 0.000 0.883 536 E CA -0.595 55.903 56.400 0.162 0.000 0.761 536 E CB 2.729 32.607 29.700 0.296 0.000 1.156 536 E HN 0.423 nan 8.360 nan 0.000 0.412 537 V N 4.809 124.887 119.914 0.273 0.000 2.417 537 V HA 0.442 4.590 4.120 0.047 0.000 0.291 537 V C -0.363 175.966 176.094 0.393 0.000 1.024 537 V CA -0.533 61.946 62.300 0.299 0.000 0.861 537 V CB 1.187 33.212 31.823 0.336 0.000 0.985 537 V HN 0.572 nan 8.190 nan 0.000 0.436 538 I N 4.691 125.466 120.570 0.342 0.000 2.439 538 I HA 0.585 4.783 4.170 0.047 0.000 0.283 538 I C -0.883 175.466 176.117 0.386 0.000 1.023 538 I CA 0.027 61.591 61.300 0.440 0.000 1.100 538 I CB 1.571 39.854 38.000 0.472 0.000 1.238 538 I HN 0.564 nan 8.210 nan 0.000 0.445 539 D N 4.655 125.345 120.400 0.483 0.000 2.745 539 D HA 0.145 4.813 4.640 0.047 0.000 0.221 539 D C -0.756 175.799 176.300 0.425 0.000 1.237 539 D CA -0.247 53.976 54.000 0.371 0.000 0.781 539 D CB 2.376 43.372 40.800 0.326 0.000 1.575 539 D HN 0.585 nan 8.370 nan 0.000 0.482 540 E N 1.308 121.652 120.200 0.240 0.000 2.758 540 E HA 0.165 4.543 4.350 0.047 0.000 0.215 540 E C 0.590 177.279 176.600 0.149 0.000 0.985 540 E CA 0.065 56.569 56.400 0.172 0.000 1.102 540 E CB 0.546 30.252 29.700 0.009 0.000 1.042 540 E HN 0.149 nan 8.360 nan 0.000 0.480 541 R N -0.322 120.268 120.500 0.151 0.000 2.334 541 R HA 0.303 4.671 4.340 0.047 0.000 0.216 541 R C 0.489 176.848 176.300 0.098 0.000 0.905 541 R CA 0.473 56.625 56.100 0.086 0.000 1.064 541 R CB 1.356 31.676 30.300 0.033 0.000 1.046 541 R HN 0.175 nan 8.270 nan 0.000 0.508 542 G N -0.135 108.787 108.800 0.203 0.000 2.525 542 G HA2 0.080 4.068 3.960 0.047 0.000 0.685 542 G HA3 0.080 4.068 3.960 0.047 0.000 0.685 542 G C -0.804 174.104 174.900 0.013 0.000 1.290 542 G CA -0.826 44.390 45.100 0.194 0.000 0.915 542 G HN 0.286 nan 8.290 nan 0.000 0.548 543 A N 0.465 123.221 122.820 -0.107 0.000 2.531 543 A HA 0.576 4.924 4.320 0.047 0.000 0.236 543 A C -0.339 176.796 177.584 -0.748 0.000 1.062 543 A CA 0.656 52.313 52.037 -0.633 0.000 0.760 543 A CB 0.062 18.839 19.000 -0.371 0.000 0.995 543 A HN 0.565 nan 8.150 nan 0.000 0.501 544 P HA -0.095 nan 4.420 nan 0.000 0.218 544 P C 0.610 177.305 177.300 -1.010 0.000 1.152 544 P CA 1.464 63.835 63.100 -1.215 0.000 0.826 544 P CB -0.065 30.505 31.700 -1.883 0.000 0.790 545 D N -0.272 119.664 120.400 -0.772 0.000 2.350 545 D HA -0.119 4.549 4.640 0.047 0.000 0.216 545 D C 1.527 177.720 176.300 -0.178 0.000 0.968 545 D CA 1.020 54.870 54.000 -0.249 0.000 0.894 545 D CB -1.163 39.598 40.800 -0.066 0.000 0.909 545 D HN 0.186 nan 8.370 nan 0.000 0.520 546 S N -1.390 114.168 115.700 -0.237 0.000 2.603 546 S HA 0.023 4.521 4.470 0.047 0.000 0.229 546 S C 0.773 175.301 174.600 -0.119 0.000 0.972 546 S CA -0.467 57.648 58.200 -0.143 0.000 0.935 546 S CB -0.196 62.929 63.200 -0.124 0.000 0.769 546 S HN 0.139 nan 8.310 nan 0.000 0.536 547 R N 0.835 121.247 120.500 -0.146 0.000 2.854 547 R HA 0.534 4.902 4.340 0.047 0.000 0.271 547 R C -3.136 173.143 176.300 -0.035 0.000 0.994 547 R CA -2.543 53.502 56.100 -0.091 0.000 0.945 547 R CB 0.928 31.158 30.300 -0.117 0.000 1.194 547 R HN 0.085 nan 8.270 nan 0.000 0.476 548 P HA -0.029 nan 4.420 nan 0.000 0.263 548 P C -0.097 177.258 177.300 0.093 0.000 1.195 548 P CA 0.352 63.473 63.100 0.035 0.000 0.762 548 P CB 0.457 32.168 31.700 0.018 0.000 0.799 549 E N 1.596 121.884 120.200 0.147 0.000 2.407 549 E HA -0.316 4.061 4.350 0.047 0.000 0.222 549 E C 1.240 177.906 176.600 0.110 0.000 1.104 549 E CA 2.156 58.658 56.400 0.170 0.000 0.876 549 E CB -0.132 29.576 29.700 0.013 0.000 0.749 549 E HN 0.578 nan 8.360 nan 0.000 0.470 550 S N -1.050 114.688 115.700 0.064 0.000 2.511 550 S HA 0.062 4.560 4.470 0.047 0.000 0.214 550 S C 0.821 175.444 174.600 0.038 0.000 0.997 550 S CA -0.480 57.740 58.200 0.034 0.000 0.908 550 S CB 0.124 63.331 63.200 0.011 0.000 0.803 550 S HN 0.128 nan 8.310 nan 0.000 0.504 551 C N 4.468 123.797 119.300 0.047 0.000 2.634 551 C HA 0.337 4.825 4.460 0.047 0.000 0.418 551 C C -2.190 172.829 174.990 0.048 0.000 1.373 551 C CA -0.989 58.049 59.018 0.032 0.000 1.756 551 C CB -0.256 27.491 27.740 0.011 0.000 2.589 551 C HN 0.392 nan 8.230 nan 0.000 0.602 552 P HA 0.124 nan 4.420 nan 0.000 0.264 552 P C -0.087 177.232 177.300 0.033 0.000 1.193 552 P CA 0.173 63.293 63.100 0.032 0.000 0.763 552 P CB 0.196 31.905 31.700 0.016 0.000 0.810 553 V N 1.221 121.164 119.914 0.049 0.000 3.051 553 V HA 0.119 4.267 4.120 0.047 0.000 0.306 553 V C 1.424 177.538 176.094 0.033 0.000 1.083 553 V CA -0.024 62.302 62.300 0.043 0.000 1.104 553 V CB 0.295 32.161 31.823 0.072 0.000 1.027 553 V HN 0.511 nan 8.190 nan 0.000 0.483 554 E N 1.477 121.708 120.200 0.050 0.000 2.077 554 E HA -0.056 4.322 4.350 0.047 0.000 0.193 554 E C 0.290 176.909 176.600 0.032 0.000 0.989 554 E CA 1.442 57.877 56.400 0.058 0.000 0.800 554 E CB 0.126 29.883 29.700 0.094 0.000 0.746 554 E HN 0.722 nan 8.360 nan 0.000 0.452 555 R N -0.937 119.563 120.500 0.001 0.000 2.629 555 R HA 0.470 4.838 4.340 0.047 0.000 0.266 555 R C -1.674 174.528 176.300 -0.164 0.000 1.051 555 R CA -0.459 55.536 56.100 -0.175 0.000 0.895 555 R CB 2.535 32.694 30.300 -0.236 0.000 1.246 555 R HN -0.063 nan 8.270 nan 0.000 0.459 556 V N 2.632 122.364 119.914 -0.304 0.000 2.925 556 V HA 0.758 4.906 4.120 0.047 0.000 0.311 556 V C -1.966 174.013 176.094 -0.191 0.000 1.104 556 V CA -0.682 61.539 62.300 -0.132 0.000 0.954 556 V CB 2.081 33.876 31.823 -0.047 0.000 1.022 556 V HN 0.686 nan 8.190 nan 0.000 0.427 557 F N 7.132 127.001 119.950 -0.134 0.000 2.553 557 F HA 0.766 5.321 4.527 0.047 0.000 0.335 557 F C -1.091 174.820 175.800 0.186 0.000 1.148 557 F CA -1.184 56.824 58.000 0.014 0.000 0.963 557 F CB 1.230 40.366 39.000 0.227 0.000 1.217 557 F HN 0.420 nan 8.300 nan 0.000 0.441 558 I N 7.528 127.993 120.570 -0.176 0.000 2.437 558 I HA 0.488 4.686 4.170 0.047 0.000 0.298 558 I C -1.067 174.866 176.117 -0.307 0.000 0.984 558 I CA -0.682 60.451 61.300 -0.277 0.000 1.214 558 I CB 1.462 39.384 38.000 -0.131 0.000 1.365 558 I HN 0.551 nan 8.210 nan 0.000 0.469 559 Y N 3.072 123.152 120.300 -0.368 0.000 2.521 559 Y HA 0.636 5.214 4.550 0.047 0.000 0.332 559 Y C -0.720 175.121 175.900 -0.098 0.000 1.121 559 Y CA -1.770 56.191 58.100 -0.233 0.000 1.037 559 Y CB 0.810 39.080 38.460 -0.316 0.000 1.330 559 Y HN 0.595 nan 8.280 nan 0.000 0.452 560 R N 0.935 121.492 120.500 0.093 0.000 2.784 560 R HA 0.577 4.945 4.340 0.047 0.000 0.266 560 R C -0.570 175.842 176.300 0.186 0.000 1.044 560 R CA 0.087 56.225 56.100 0.064 0.000 1.151 560 R CB 0.881 31.230 30.300 0.081 0.000 1.037 560 R HN 0.911 nan 8.270 nan 0.000 0.478 561 T N -0.732 113.889 114.554 0.111 0.000 3.047 561 T HA 0.149 4.527 4.350 0.047 0.000 0.340 561 T C 0.207 174.964 174.700 0.095 0.000 1.421 561 T CA -0.533 61.666 62.100 0.166 0.000 1.090 561 T CB 1.621 70.625 68.868 0.227 0.000 1.292 561 T HN 0.597 nan 8.240 nan 0.000 0.480 562 V N 2.278 122.256 119.914 0.107 0.000 3.646 562 V HA 0.593 4.741 4.120 0.047 0.000 0.277 562 V C 1.676 177.817 176.094 0.079 0.000 1.274 562 V CA 1.244 63.591 62.300 0.079 0.000 1.164 562 V CB -0.696 31.175 31.823 0.080 0.000 0.926 562 V HN 0.915 nan 8.190 nan 0.000 0.442 563 A N -0.201 122.681 122.820 0.102 0.000 2.267 563 A HA 0.633 4.981 4.320 0.047 0.000 0.213 563 A C 1.694 179.306 177.584 0.047 0.000 1.192 563 A CA 0.761 52.858 52.037 0.100 0.000 0.851 563 A CB -0.609 18.491 19.000 0.167 0.000 0.881 563 A HN 1.572 nan 8.150 nan 0.000 0.494 564 G N -0.025 108.783 108.800 0.013 0.000 2.598 564 G HA2 -0.211 3.777 3.960 0.047 0.000 0.269 564 G HA3 -0.211 3.777 3.960 0.047 0.000 0.269 564 G C -2.690 172.152 174.900 -0.096 0.000 1.289 564 G CA -0.083 44.986 45.100 -0.053 0.000 0.926 564 G HN 0.400 nan 8.290 nan 0.000 0.567 565 P HA 0.404 nan 4.420 nan 0.000 0.276 565 P C -0.109 176.971 177.300 -0.367 0.000 1.244 565 P CA -0.348 62.602 63.100 -0.250 0.000 0.801 565 P CB 0.569 32.110 31.700 -0.266 0.000 1.006 566 R N 0.924 121.220 120.500 -0.339 0.000 2.573 566 R HA 0.397 4.765 4.340 0.047 0.000 0.272 566 R C -0.191 175.862 176.300 -0.412 0.000 1.009 566 R CA -0.302 55.590 56.100 -0.348 0.000 1.059 566 R CB 0.137 30.224 30.300 -0.355 0.000 1.112 566 R HN 0.232 nan 8.270 nan 0.000 0.517 567 F N 0.242 120.145 119.950 -0.078 0.000 2.615 567 F HA 0.014 4.569 4.527 0.046 0.000 0.297 567 F C 0.931 176.675 175.800 -0.092 0.000 1.124 567 F CA 0.612 58.569 58.000 -0.071 0.000 1.451 567 F CB 0.117 39.096 39.000 -0.035 0.000 1.103 567 F HN 0.665 nan 8.300 nan 0.000 0.569 568 D N -0.892 119.540 120.400 0.054 0.000 2.559 568 D HA 0.078 4.746 4.640 0.047 0.000 0.234 568 D C 0.233 176.454 176.300 -0.131 0.000 1.226 568 D CA -0.072 53.937 54.000 0.014 0.000 0.830 568 D CB -0.818 40.081 40.800 0.165 0.000 1.028 568 D HN 0.086 nan 8.370 nan 0.000 0.492 569 M N 1.513 120.964 119.600 -0.248 0.000 2.251 569 M HA 0.157 4.665 4.480 0.047 0.000 0.343 569 M C -1.811 174.270 176.300 -0.366 0.000 1.245 569 M CA -0.695 54.374 55.300 -0.384 0.000 1.061 569 M CB 0.144 32.499 32.600 -0.407 0.000 1.723 569 M HN -0.011 nan 8.290 nan 0.000 0.449 570 P HA 0.198 nan 4.420 nan 0.000 0.312 570 P C 0.617 177.556 177.300 -0.602 0.000 1.308 570 P CA -0.308 62.517 63.100 -0.459 0.000 0.743 570 P CB 0.197 31.575 31.700 -0.537 0.000 1.364 571 G N -0.749 107.789 108.800 -0.436 0.000 2.509 571 G HA2 -0.159 3.829 3.960 0.047 0.000 0.218 571 G HA3 -0.159 3.829 3.960 0.047 0.000 0.218 571 G C 0.777 175.293 174.900 -0.640 0.000 1.124 571 G CA 0.378 45.254 45.100 -0.374 0.000 0.776 571 G HN 0.548 nan 8.290 nan 0.000 0.547 572 F N -0.806 118.835 119.950 -0.515 0.000 2.668 572 F HA 0.655 5.210 4.527 0.046 0.000 0.301 572 F C -0.420 174.987 175.800 -0.655 0.000 1.106 572 F CA -1.342 56.299 58.000 -0.598 0.000 1.289 572 F CB 0.110 39.043 39.000 -0.110 0.000 1.006 572 F HN -0.182 nan 8.300 nan 0.000 0.535 573 V N 1.504 120.741 119.914 -1.129 0.000 2.540 573 V HA 0.288 4.436 4.120 0.047 0.000 0.302 573 V C -1.010 174.589 176.094 -0.825 0.000 1.035 573 V CA -0.841 61.057 62.300 -0.669 0.000 0.873 573 V CB 1.577 33.098 31.823 -0.504 0.000 0.992 573 V HN 0.268 nan 8.190 nan 0.000 0.428 574 W N 2.964 124.252 121.300 -0.020 0.000 2.361 574 W HA 0.361 5.049 4.660 0.047 0.000 0.314 574 W C 0.560 177.073 176.519 -0.011 0.000 1.041 574 W CA -0.893 56.444 57.345 -0.014 0.000 1.241 574 W CB 1.301 30.776 29.460 0.025 0.000 1.279 574 W HN 0.662 nan 8.180 nan 0.000 0.436 575 N N 5.876 124.638 118.700 0.104 0.000 3.027 575 N HA 0.056 4.824 4.740 0.047 0.000 0.309 575 N C -0.027 175.523 175.510 0.066 0.000 1.222 575 N CA 0.373 53.450 53.050 0.044 0.000 1.187 575 N CB -0.278 38.169 38.487 -0.068 0.000 1.458 575 N HN 0.374 nan 8.380 nan 0.000 0.535 576 M N 0.000 119.672 119.600 0.120 0.000 2.572 576 M HA 0.000 4.508 4.480 0.047 0.000 0.227 576 M CA 0.000 55.330 55.300 0.051 0.000 0.988 576 M CB 0.000 32.587 32.600 -0.021 0.000 1.302 576 M HN 0.000 nan 8.290 nan 0.000 0.411