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 1zmc_1_F DATA FIRST_RESID 4 DATA SEQUENCE PIDADVTVIG SGPGGYVAAI KAAQLGFKTV CIEKNETLGG TcLNVGcIPS DATA SEQUENCE KALLNNSHYY HMAHGTDFAS RGIEMSEVRL NLDKMMEQKS TAVKALTGGI DATA SEQUENCE AHLFKQNKVV HVNGYGKITG KNQVTATKAD GGTQVIDTKN ILIATGSEVT DATA SEQUENCE PFPGITIDED TIVSSTGALS LKKVPEKMVV IGAGVIGVEL GSVWQRLGAD DATA SEQUENCE VTAVEFLGHV GGVGIDMEIS KNFQRILQKQ GFKFKLNTKV TGATKKSDGK DATA SEQUENCE IDVSIEAASG GKAEVITCDV LLVCIGRRPF TKNLGLEELG IELDPRGRIP DATA SEQUENCE VNTRFQTKIP NIYAIGDVVA GPMLAHKAED EGIICVEGMA GGAVHIDYNC DATA SEQUENCE VPSVIYTHPE VAWVGKSEEQ LKEEGIEYKV GKFPFAANSR AKTNADTDGM DATA SEQUENCE VKILGQKSTD RVLGAHILGP GAGEMVNEAA LALEYGASCE DIARVCHAHP DATA SEQUENCE TLSEAFREAN LAASFGKSIN F 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 4 P HA 0.000 nan 4.420 nan 0.000 0.216 4 P C 0.000 177.302 177.300 0.004 0.000 1.155 4 P CA 0.000 63.103 63.100 0.005 0.000 0.800 4 P CB 0.000 31.703 31.700 0.005 0.000 0.726 5 I N -0.425 120.147 120.570 0.004 0.000 3.067 5 I HA 0.877 5.047 4.170 -0.000 0.000 0.312 5 I C -1.085 175.034 176.117 0.002 0.000 1.073 5 I CA -0.933 60.368 61.300 0.003 0.000 1.016 5 I CB 2.638 40.639 38.000 0.001 0.000 1.227 5 I HN 0.365 nan 8.210 nan 0.000 0.456 6 D N 1.996 122.397 120.400 0.002 0.000 2.601 6 D HA 0.855 5.495 4.640 -0.000 0.000 0.230 6 D C -0.940 175.359 176.300 -0.001 0.000 1.106 6 D CA -0.616 53.385 54.000 0.002 0.000 0.873 6 D CB 2.244 43.047 40.800 0.005 0.000 1.515 6 D HN 1.042 nan 8.370 nan 0.000 0.468 7 A N 0.645 123.462 122.820 -0.005 0.000 2.602 7 A HA 0.508 4.828 4.320 -0.000 0.000 0.290 7 A C -0.530 177.045 177.584 -0.017 0.000 1.114 7 A CA -0.692 51.339 52.037 -0.010 0.000 0.683 7 A CB 1.443 20.428 19.000 -0.026 0.000 1.281 7 A HN 0.550 nan 8.150 nan 0.000 0.416 8 D N -0.747 119.641 120.400 -0.021 0.000 2.259 8 D HA 0.188 4.828 4.640 -0.000 0.000 0.216 8 D C 0.091 176.280 176.300 -0.184 0.000 0.961 8 D CA 1.460 55.425 54.000 -0.058 0.000 0.878 8 D CB 0.536 41.361 40.800 0.042 0.000 1.009 8 D HN 0.212 nan 8.370 nan 0.000 0.490 9 V N 1.071 120.868 119.914 -0.195 0.000 2.531 9 V HA 0.345 4.465 4.120 -0.000 0.000 0.301 9 V C -0.392 175.622 176.094 -0.134 0.000 1.034 9 V CA -0.498 61.659 62.300 -0.238 0.000 0.865 9 V CB 2.130 33.736 31.823 -0.361 0.000 0.995 9 V HN -0.117 nan 8.190 nan 0.000 0.424 10 T N 4.188 118.681 114.554 -0.103 0.000 2.815 10 T HA 0.514 4.864 4.350 -0.000 0.000 0.289 10 T C -0.423 174.244 174.700 -0.054 0.000 1.000 10 T CA -0.388 61.674 62.100 -0.064 0.000 0.958 10 T CB 1.514 70.363 68.868 -0.031 0.000 0.944 10 T HN 0.339 nan 8.240 nan 0.000 0.442 11 V N 5.250 125.131 119.914 -0.055 0.000 2.370 11 V HA 0.435 4.555 4.120 -0.000 0.000 0.279 11 V C 0.139 176.233 176.094 -0.000 0.000 1.029 11 V CA -0.806 61.474 62.300 -0.034 0.000 0.870 11 V CB 0.978 32.775 31.823 -0.044 0.000 0.984 11 V HN 0.815 nan 8.190 nan 0.000 0.451 12 I N 5.030 125.607 120.570 0.012 0.000 2.287 12 I HA 0.695 4.865 4.170 -0.000 0.000 0.290 12 I C 0.786 176.919 176.117 0.026 0.000 1.069 12 I CA 0.146 61.458 61.300 0.020 0.000 1.237 12 I CB 0.739 38.750 38.000 0.020 0.000 1.418 12 I HN 0.885 nan 8.210 nan 0.000 0.481 13 G N 3.750 112.570 108.800 0.034 0.000 2.764 13 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.678 13 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.678 13 G C -0.227 174.720 174.900 0.080 0.000 1.341 13 G CA -0.315 44.809 45.100 0.041 0.000 0.836 13 G HN 0.657 nan 8.290 nan 0.000 0.632 14 S N 0.715 116.463 115.700 0.080 0.000 2.711 14 S HA 0.632 5.102 4.470 -0.000 0.000 0.247 14 S C 1.173 175.854 174.600 0.136 0.000 1.079 14 S CA 0.694 58.980 58.200 0.144 0.000 1.050 14 S CB 0.557 63.807 63.200 0.083 0.000 0.885 14 S HN 1.878 nan 8.310 nan 0.000 0.498 15 G N 2.342 111.212 108.800 0.117 0.000 2.516 15 G HA2 0.431 4.391 3.960 -0.000 0.000 0.276 15 G HA3 0.431 4.391 3.960 -0.000 0.000 0.276 15 G C -1.669 173.372 174.900 0.234 0.000 1.390 15 G CA -1.539 43.630 45.100 0.115 0.000 1.050 15 G HN 0.208 nan 8.290 nan 0.000 0.519 16 P HA -0.097 nan 4.420 nan 0.000 0.216 16 P C 1.980 179.264 177.300 -0.026 0.000 1.153 16 P CA 2.001 65.189 63.100 0.145 0.000 0.858 16 P CB -0.019 31.730 31.700 0.081 0.000 0.789 17 G N -0.682 108.110 108.800 -0.013 0.000 2.414 17 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.215 17 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.215 17 G C 1.808 176.671 174.900 -0.062 0.000 1.188 17 G CA 0.883 45.943 45.100 -0.066 0.000 0.783 17 G HN 0.342 nan 8.290 nan 0.000 0.537 18 G N 0.378 109.188 108.800 0.016 0.000 2.421 18 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.216 18 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.216 18 G C 1.730 176.703 174.900 0.122 0.000 1.171 18 G CA 1.405 46.536 45.100 0.052 0.000 0.775 18 G HN 0.607 nan 8.290 nan 0.000 0.543 19 Y N 0.738 121.107 120.300 0.114 0.000 2.242 19 Y HA 0.084 4.634 4.550 -0.000 0.000 0.291 19 Y C 2.407 178.427 175.900 0.199 0.000 1.137 19 Y CA 1.147 59.401 58.100 0.258 0.000 1.181 19 Y CB -0.554 37.963 38.460 0.095 0.000 0.989 19 Y HN 0.011 nan 8.280 nan 0.000 0.527 20 V N 1.223 120.778 119.914 -0.598 0.000 2.379 20 V HA -0.205 3.915 4.120 -0.000 0.000 0.245 20 V C 2.841 178.815 176.094 -0.200 0.000 1.044 20 V CA 1.639 63.623 62.300 -0.527 0.000 1.036 20 V CB -1.304 30.208 31.823 -0.517 0.000 0.664 20 V HN 0.636 nan 8.190 nan 0.000 0.453 21 A N 0.077 122.808 122.820 -0.149 0.000 1.902 21 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 21 A C 2.434 179.970 177.584 -0.081 0.000 1.181 21 A CA 2.132 54.101 52.037 -0.113 0.000 0.623 21 A CB -0.807 18.122 19.000 -0.119 0.000 0.818 21 A HN 0.561 nan 8.150 nan 0.000 0.443 22 A N -0.002 122.782 122.820 -0.060 0.000 1.883 22 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 22 A C 2.149 179.681 177.584 -0.086 0.000 1.186 22 A CA 1.644 53.612 52.037 -0.116 0.000 0.624 22 A CB -0.643 18.204 19.000 -0.254 0.000 0.822 22 A HN 0.510 nan 8.150 nan 0.000 0.444 23 I N -0.950 119.625 120.570 0.007 0.000 2.179 23 I HA -0.239 3.931 4.170 -0.000 0.000 0.242 23 I C 2.549 178.668 176.117 0.003 0.000 1.088 23 I CA 1.829 63.152 61.300 0.039 0.000 1.357 23 I CB -0.243 37.827 38.000 0.116 0.000 1.051 23 I HN 0.239 nan 8.210 nan 0.000 0.409 24 K N 1.580 121.970 120.400 -0.016 0.000 2.032 24 K HA -0.147 4.173 4.320 -0.000 0.000 0.209 24 K C 2.073 178.684 176.600 0.019 0.000 1.048 24 K CA 1.817 58.096 56.287 -0.013 0.000 0.927 24 K CB -0.521 31.959 32.500 -0.034 0.000 0.712 24 K HN 0.289 nan 8.250 nan 0.000 0.441 25 A N 0.460 123.309 122.820 0.047 0.000 1.883 25 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 25 A C 2.385 180.066 177.584 0.162 0.000 1.186 25 A CA 2.349 54.500 52.037 0.190 0.000 0.624 25 A CB -1.179 17.888 19.000 0.112 0.000 0.822 25 A HN 0.432 nan 8.150 nan 0.000 0.444 26 A N -0.882 121.971 122.820 0.055 0.000 1.902 26 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 26 A C 2.094 179.674 177.584 -0.008 0.000 1.181 26 A CA 1.608 53.658 52.037 0.021 0.000 0.623 26 A CB -0.582 18.407 19.000 -0.019 0.000 0.818 26 A HN 0.663 nan 8.150 nan 0.000 0.443 27 Q N -0.589 119.204 119.800 -0.012 0.000 2.226 27 Q HA -0.007 4.333 4.340 -0.000 0.000 0.204 27 Q C 1.571 177.532 176.000 -0.066 0.000 0.975 27 Q CA 0.954 56.739 55.803 -0.030 0.000 0.866 27 Q CB -0.242 28.484 28.738 -0.020 0.000 0.915 27 Q HN 0.660 nan 8.270 nan 0.000 0.440 28 L N -1.107 120.060 121.223 -0.093 0.000 2.599 28 L HA 0.107 4.447 4.340 -0.000 0.000 0.230 28 L C 1.170 177.837 176.870 -0.338 0.000 1.141 28 L CA 0.531 55.247 54.840 -0.208 0.000 0.877 28 L CB 0.116 42.025 42.059 -0.250 0.000 1.009 28 L HN 0.437 nan 8.230 nan 0.000 0.447 29 G N -0.879 107.786 108.800 -0.225 0.000 2.201 29 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.212 29 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.212 29 G C 0.087 174.904 174.900 -0.138 0.000 0.994 29 G CA -0.652 44.325 45.100 -0.206 0.000 0.644 29 G HN 0.089 nan 8.290 nan 0.000 0.508 30 F N 1.381 121.305 119.950 -0.043 0.000 2.443 30 F HA 0.572 5.099 4.527 0.000 0.000 0.353 30 F C 0.881 176.651 175.800 -0.050 0.000 1.101 30 F CA -0.682 57.290 58.000 -0.046 0.000 1.226 30 F CB 1.106 40.071 39.000 -0.060 0.000 1.140 30 F HN 0.031 nan 8.300 nan 0.000 0.557 31 K N 2.184 122.687 120.400 0.171 0.000 2.378 31 K HA 0.237 4.557 4.320 -0.000 0.000 0.288 31 K C -0.819 175.802 176.600 0.034 0.000 1.057 31 K CA 0.185 56.512 56.287 0.066 0.000 0.971 31 K CB -0.025 32.504 32.500 0.048 0.000 0.975 31 K HN 0.658 nan 8.250 nan 0.000 0.475 32 T N 3.586 118.137 114.554 -0.006 0.000 2.829 32 T HA 0.495 4.845 4.350 -0.000 0.000 0.280 32 T C -1.012 173.629 174.700 -0.098 0.000 0.999 32 T CA -0.768 61.296 62.100 -0.060 0.000 0.983 32 T CB 1.480 70.301 68.868 -0.078 0.000 0.968 32 T HN 0.275 nan 8.240 nan 0.000 0.446 33 V N 1.731 121.585 119.914 -0.099 0.000 2.680 33 V HA 0.617 4.737 4.120 -0.000 0.000 0.309 33 V C -0.452 175.578 176.094 -0.107 0.000 1.052 33 V CA -0.808 61.439 62.300 -0.089 0.000 0.908 33 V CB 1.932 33.731 31.823 -0.040 0.000 1.001 33 V HN 1.091 nan 8.190 nan 0.000 0.431 34 C N 6.475 125.716 119.300 -0.099 0.000 2.364 34 C HA 0.690 5.150 4.460 -0.000 0.000 0.324 34 C C -0.455 174.587 174.990 0.088 0.000 1.234 34 C CA -0.512 58.478 59.018 -0.046 0.000 1.417 34 C CB -0.357 27.301 27.740 -0.137 0.000 2.101 34 C HN 0.805 nan 8.230 nan 0.000 0.466 35 I N 4.880 125.498 120.570 0.081 0.000 2.336 35 I HA 0.455 4.625 4.170 -0.000 0.000 0.292 35 I C -0.330 175.848 176.117 0.102 0.000 0.991 35 I CA 0.168 61.534 61.300 0.110 0.000 1.227 35 I CB 1.406 39.443 38.000 0.062 0.000 1.366 35 I HN 0.594 nan 8.210 nan 0.000 0.466 36 E N 5.981 126.273 120.200 0.153 0.000 2.224 36 E HA 0.244 4.594 4.350 -0.000 0.000 0.265 36 E C 0.178 176.829 176.600 0.085 0.000 0.878 36 E CA -0.790 55.667 56.400 0.095 0.000 0.759 36 E CB 1.430 31.177 29.700 0.078 0.000 1.164 36 E HN 0.566 nan 8.360 nan 0.000 0.414 37 K N 2.758 123.156 120.400 -0.004 0.000 2.243 37 K HA 0.134 4.454 4.320 -0.000 0.000 0.201 37 K C 0.220 176.841 176.600 0.036 0.000 1.051 37 K CA 0.225 56.513 56.287 0.001 0.000 0.970 37 K CB 0.052 32.477 32.500 -0.125 0.000 0.755 37 K HN 0.204 nan 8.250 nan 0.000 0.465 38 N N 1.775 120.483 118.700 0.014 0.000 2.379 38 N HA 0.028 4.768 4.740 -0.000 0.000 0.260 38 N C 0.602 176.133 175.510 0.035 0.000 1.254 38 N CA -0.255 52.803 53.050 0.013 0.000 0.958 38 N CB 0.801 39.275 38.487 -0.021 0.000 1.208 38 N HN 0.164 nan 8.380 nan 0.000 0.532 39 E N -0.538 119.675 120.200 0.022 0.000 2.110 39 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 39 E C 0.365 176.980 176.600 0.026 0.000 0.988 39 E CA 1.086 57.503 56.400 0.028 0.000 0.804 39 E CB 0.030 29.737 29.700 0.012 0.000 0.745 39 E HN 0.726 nan 8.360 nan 0.000 0.458 40 T N -2.010 112.539 114.554 -0.008 0.000 2.926 40 T HA 0.593 4.943 4.350 -0.000 0.000 0.289 40 T C -0.092 174.552 174.700 -0.094 0.000 1.054 40 T CA -0.965 61.108 62.100 -0.046 0.000 1.015 40 T CB 1.437 70.265 68.868 -0.067 0.000 1.167 40 T HN -0.104 nan 8.240 nan 0.000 0.526 41 L N 0.294 121.408 121.223 -0.181 0.000 2.431 41 L HA 0.665 5.005 4.340 -0.000 0.000 0.260 41 L C 1.673 178.387 176.870 -0.259 0.000 1.098 41 L CA -0.007 54.677 54.840 -0.261 0.000 0.800 41 L CB 0.876 42.660 42.059 -0.458 0.000 1.210 41 L HN 1.165 nan 8.230 nan 0.000 0.465 42 G N -0.616 108.031 108.800 -0.256 0.000 2.352 42 G HA2 0.047 4.007 3.960 -0.000 0.000 0.204 42 G HA3 0.047 4.007 3.960 -0.000 0.000 0.204 42 G C 0.588 175.439 174.900 -0.081 0.000 1.004 42 G CA -0.173 44.789 45.100 -0.230 0.000 0.648 42 G HN 1.446 nan 8.290 nan 0.000 0.491 43 G N -0.805 107.956 108.800 -0.066 0.000 2.598 43 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.244 43 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.244 43 G C 0.962 175.838 174.900 -0.040 0.000 1.302 43 G CA 1.178 46.256 45.100 -0.037 0.000 0.903 43 G HN 1.290 nan 8.290 nan 0.000 0.575 44 T N -0.434 114.102 114.554 -0.030 0.000 2.652 44 T HA -0.218 4.132 4.350 -0.000 0.000 0.267 44 T C 2.475 177.164 174.700 -0.019 0.000 1.039 44 T CA 2.691 64.774 62.100 -0.028 0.000 1.153 44 T CB -0.720 68.135 68.868 -0.022 0.000 0.863 44 T HN 1.000 nan 8.240 nan 0.000 0.428 45 c N 1.224 119.820 118.600 -0.006 0.000 2.388 45 c HA -0.078 4.492 4.570 -0.000 0.000 0.277 45 c C 2.595 176.670 174.090 -0.025 0.000 1.210 45 c CA 0.996 57.322 56.329 -0.005 0.000 1.743 45 c CB -1.367 41.153 42.510 0.018 0.000 2.047 45 c HN 0.506 nan 8.230 nan 0.000 0.458 46 L N 1.882 123.083 121.223 -0.037 0.000 2.046 46 L HA -0.056 4.284 4.340 -0.000 0.000 0.208 46 L C 2.184 179.017 176.870 -0.062 0.000 1.077 46 L CA 2.105 56.907 54.840 -0.064 0.000 0.747 46 L CB -1.236 40.758 42.059 -0.109 0.000 0.896 46 L HN 0.458 nan 8.230 nan 0.000 0.432 47 N N -0.652 118.013 118.700 -0.058 0.000 2.220 47 N HA -0.007 4.733 4.740 -0.000 0.000 0.182 47 N C 1.232 176.720 175.510 -0.035 0.000 1.023 47 N CA 1.808 54.828 53.050 -0.051 0.000 0.856 47 N CB 0.343 38.796 38.487 -0.055 0.000 0.997 47 N HN 0.429 nan 8.380 nan 0.000 0.429 48 V N -3.562 116.335 119.914 -0.029 0.000 3.199 48 V HA 0.622 4.742 4.120 -0.000 0.000 0.331 48 V C 0.599 176.689 176.094 -0.006 0.000 1.446 48 V CA -0.076 62.214 62.300 -0.015 0.000 1.120 48 V CB 0.548 32.361 31.823 -0.017 0.000 1.051 48 V HN 0.132 nan 8.190 nan 0.000 0.495 49 G N 0.013 108.805 108.800 -0.013 0.000 3.244 49 G HA2 0.188 4.148 3.960 -0.000 0.000 0.197 49 G HA3 0.188 4.148 3.960 -0.000 0.000 0.197 49 G C 1.052 175.940 174.900 -0.020 0.000 1.531 49 G CA 0.681 45.778 45.100 -0.005 0.000 0.747 49 G HN 0.287 nan 8.290 nan 0.000 0.763 50 c N 1.121 119.704 118.600 -0.028 0.000 2.363 50 c HA -0.110 4.460 4.570 -0.000 0.000 0.274 50 c C 2.792 176.816 174.090 -0.110 0.000 1.183 50 c CA 0.617 56.903 56.329 -0.073 0.000 1.771 50 c CB -1.360 41.111 42.510 -0.066 0.000 2.059 50 c HN 0.409 nan 8.230 nan 0.000 0.455 51 I N 2.490 123.011 120.570 -0.081 0.000 2.113 51 I HA -0.105 4.065 4.170 -0.000 0.000 0.238 51 I C 0.217 176.290 176.117 -0.073 0.000 1.070 51 I CA 1.633 62.883 61.300 -0.083 0.000 1.332 51 I CB -2.927 35.033 38.000 -0.066 0.000 1.044 51 I HN 0.253 nan 8.210 nan 0.000 0.402 52 P HA -0.092 nan 4.420 nan 0.000 0.217 52 P C 1.850 179.122 177.300 -0.047 0.000 1.150 52 P CA 1.908 64.982 63.100 -0.042 0.000 0.832 52 P CB -0.097 31.589 31.700 -0.024 0.000 0.787 53 S N 0.361 116.033 115.700 -0.046 0.000 2.368 53 S HA -0.132 4.338 4.470 -0.000 0.000 0.225 53 S C 2.043 176.602 174.600 -0.070 0.000 1.030 53 S CA 1.126 59.301 58.200 -0.041 0.000 0.999 53 S CB -0.933 62.260 63.200 -0.011 0.000 0.844 53 S HN -0.004 nan 8.310 nan 0.000 0.459 54 K N 2.188 122.513 120.400 -0.126 0.000 2.097 54 K HA 0.236 4.556 4.320 -0.000 0.000 0.206 54 K C 2.364 178.916 176.600 -0.079 0.000 1.049 54 K CA 1.192 57.384 56.287 -0.158 0.000 0.933 54 K CB -1.013 31.304 32.500 -0.306 0.000 0.717 54 K HN 0.477 nan 8.250 nan 0.000 0.442 55 A N 0.620 123.398 122.820 -0.070 0.000 1.883 55 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 55 A C 2.110 179.668 177.584 -0.044 0.000 1.186 55 A CA 1.497 53.509 52.037 -0.041 0.000 0.624 55 A CB -0.720 18.255 19.000 -0.042 0.000 0.822 55 A HN 0.226 nan 8.150 nan 0.000 0.444 56 L N -0.905 120.273 121.223 -0.075 0.000 2.141 56 L HA -0.126 4.214 4.340 -0.000 0.000 0.209 56 L C 2.521 179.325 176.870 -0.110 0.000 1.094 56 L CA 0.739 55.503 54.840 -0.127 0.000 0.763 56 L CB -0.452 41.495 42.059 -0.187 0.000 0.908 56 L HN 0.372 nan 8.230 nan 0.000 0.437 57 L N -0.394 120.795 121.223 -0.057 0.000 2.093 57 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 57 L C 2.426 179.305 176.870 0.015 0.000 1.085 57 L CA 1.337 56.175 54.840 -0.003 0.000 0.755 57 L CB -0.529 41.562 42.059 0.052 0.000 0.904 57 L HN 0.414 nan 8.230 nan 0.000 0.435 58 N N -0.120 118.589 118.700 0.015 0.000 2.109 58 N HA -0.168 4.572 4.740 -0.000 0.000 0.188 58 N C 1.554 177.107 175.510 0.072 0.000 1.034 58 N CA 1.150 54.223 53.050 0.038 0.000 0.846 58 N CB 0.109 38.650 38.487 0.089 0.000 1.010 58 N HN 0.312 nan 8.380 nan 0.000 0.425 59 N N 0.841 119.581 118.700 0.067 0.000 2.120 59 N HA -0.134 4.606 4.740 -0.000 0.000 0.188 59 N C 1.933 177.479 175.510 0.060 0.000 1.024 59 N CA 1.552 54.652 53.050 0.085 0.000 0.852 59 N CB -0.624 37.871 38.487 0.013 0.000 1.003 59 N HN 0.371 nan 8.380 nan 0.000 0.424 60 S N 0.129 115.821 115.700 -0.012 0.000 2.402 60 S HA -0.148 4.322 4.470 -0.000 0.000 0.229 60 S C 1.834 176.474 174.600 0.067 0.000 1.021 60 S CA 0.714 58.914 58.200 0.000 0.000 0.974 60 S CB -0.624 62.501 63.200 -0.125 0.000 0.800 60 S HN 0.464 nan 8.310 nan 0.000 0.484 61 H N -0.032 118.989 119.070 -0.082 0.000 2.326 61 H HA -0.102 4.454 4.556 -0.000 0.000 0.301 61 H C 1.663 176.855 175.328 -0.227 0.000 1.081 61 H CA 1.765 57.707 56.048 -0.177 0.000 1.334 61 H CB -0.317 29.217 29.762 -0.379 0.000 1.385 61 H HN 0.465 nan 8.280 nan 0.000 0.504 62 Y N -0.008 120.188 120.300 -0.174 0.000 2.293 62 Y HA -0.208 4.342 4.550 0.000 0.000 0.291 62 Y C 2.601 178.335 175.900 -0.277 0.000 1.137 62 Y CA 1.177 59.114 58.100 -0.271 0.000 1.202 62 Y CB -1.022 37.388 38.460 -0.083 0.000 0.990 62 Y HN 0.337 nan 8.280 nan 0.000 0.537 63 Y N -0.213 120.036 120.300 -0.085 0.000 2.224 63 Y HA -0.267 4.283 4.550 -0.000 0.000 0.289 63 Y C 2.781 178.631 175.900 -0.083 0.000 1.146 63 Y CA 2.128 60.171 58.100 -0.096 0.000 1.182 63 Y CB -0.918 37.487 38.460 -0.091 0.000 0.983 63 Y HN 0.333 nan 8.280 nan 0.000 0.524 64 H N -0.614 118.252 119.070 -0.341 0.000 2.321 64 H HA -0.147 4.409 4.556 -0.000 0.000 0.300 64 H C 1.819 176.900 175.328 -0.412 0.000 1.087 64 H CA 1.495 57.319 56.048 -0.375 0.000 1.319 64 H CB 0.096 29.725 29.762 -0.223 0.000 1.379 64 H HN 0.281 nan 8.280 nan 0.000 0.501 65 M N 0.382 119.595 119.600 -0.645 0.000 2.279 65 M HA -0.068 4.412 4.480 -0.000 0.000 0.264 65 M C 2.456 178.276 176.300 -0.800 0.000 1.062 65 M CA 1.103 55.987 55.300 -0.693 0.000 1.099 65 M CB -0.807 31.444 32.600 -0.582 0.000 1.394 65 M HN 0.444 nan 8.290 nan 0.000 0.426 66 A N -1.422 120.895 122.820 -0.837 0.000 1.924 66 A HA -0.085 4.235 4.320 -0.000 0.000 0.211 66 A C 2.114 179.495 177.584 -0.340 0.000 1.198 66 A CA 0.677 52.280 52.037 -0.724 0.000 0.657 66 A CB -0.770 17.875 19.000 -0.592 0.000 0.852 66 A HN 0.499 nan 8.150 nan 0.000 0.454 67 H N 0.203 118.974 119.070 -0.499 0.000 2.428 67 H HA 0.020 4.576 4.556 -0.000 0.000 0.296 67 H C 1.393 176.575 175.328 -0.243 0.000 1.062 67 H CA 1.263 57.060 56.048 -0.418 0.000 1.350 67 H CB -0.085 29.182 29.762 -0.825 0.000 1.403 67 H HN 0.434 nan 8.280 nan 0.000 0.533 68 G N -0.713 107.973 108.800 -0.189 0.000 2.546 68 G HA2 0.024 3.984 3.960 -0.000 0.000 0.239 68 G HA3 0.024 3.984 3.960 -0.000 0.000 0.239 68 G C 0.897 175.720 174.900 -0.128 0.000 1.476 68 G CA 0.326 45.357 45.100 -0.116 0.000 1.064 68 G HN 0.297 nan 8.290 nan 0.000 0.561 69 T N -0.257 114.249 114.554 -0.079 0.000 3.054 69 T HA -0.001 4.349 4.350 -0.000 0.000 0.259 69 T C 1.814 176.509 174.700 -0.008 0.000 1.092 69 T CA 0.893 62.970 62.100 -0.039 0.000 1.121 69 T CB -0.118 68.742 68.868 -0.013 0.000 0.912 69 T HN 0.567 nan 8.240 nan 0.000 0.489 70 D N 0.783 121.163 120.400 -0.033 0.000 2.106 70 D HA -0.168 4.472 4.640 -0.000 0.000 0.191 70 D C 1.571 177.998 176.300 0.211 0.000 0.997 70 D CA 1.318 55.351 54.000 0.056 0.000 0.834 70 D CB -0.057 40.745 40.800 0.002 0.000 0.956 70 D HN 0.248 nan 8.370 nan 0.000 0.448 71 F N 1.336 121.233 119.950 -0.088 0.000 2.113 71 F HA -0.007 4.520 4.527 0.000 0.000 0.297 71 F C 2.665 178.435 175.800 -0.050 0.000 1.103 71 F CA 0.778 58.740 58.000 -0.063 0.000 1.248 71 F CB -1.269 37.691 39.000 -0.066 0.000 0.999 71 F HN -0.008 nan 8.300 nan 0.000 0.475 72 A N 0.006 122.905 122.820 0.132 0.000 1.917 72 A HA -0.256 4.064 4.320 -0.000 0.000 0.219 72 A C 2.366 179.962 177.584 0.019 0.000 1.182 72 A CA 2.407 54.473 52.037 0.048 0.000 0.633 72 A CB -1.306 17.706 19.000 0.021 0.000 0.819 72 A HN 0.424 nan 8.150 nan 0.000 0.448 73 S N -0.756 114.959 115.700 0.025 0.000 2.507 73 S HA -0.082 4.388 4.470 -0.000 0.000 0.235 73 S C 1.599 176.193 174.600 -0.011 0.000 0.988 73 S CA 1.124 59.330 58.200 0.010 0.000 0.944 73 S CB -0.301 62.911 63.200 0.019 0.000 0.762 73 S HN 0.630 nan 8.310 nan 0.000 0.526 74 R N 0.155 120.633 120.500 -0.037 0.000 2.362 74 R HA 0.329 4.669 4.340 -0.000 0.000 0.227 74 R C 1.318 177.563 176.300 -0.092 0.000 0.905 74 R CA 0.390 56.440 56.100 -0.084 0.000 1.067 74 R CB 0.289 30.487 30.300 -0.169 0.000 1.078 74 R HN 0.530 nan 8.270 nan 0.000 0.516 75 G N 1.518 110.281 108.800 -0.063 0.000 2.141 75 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.242 75 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.242 75 G C 0.110 174.971 174.900 -0.066 0.000 0.982 75 G CA -0.373 44.695 45.100 -0.054 0.000 0.662 75 G HN 0.247 nan 8.290 nan 0.000 0.527 76 I N 1.934 122.453 120.570 -0.084 0.000 2.268 76 I HA 0.252 4.422 4.170 -0.000 0.000 0.290 76 I C 0.366 176.495 176.117 0.021 0.000 1.125 76 I CA -0.315 60.942 61.300 -0.072 0.000 1.236 76 I CB 0.416 38.290 38.000 -0.209 0.000 1.469 76 I HN 0.139 nan 8.210 nan 0.000 0.512 77 E N 6.994 127.201 120.200 0.010 0.000 2.259 77 E HA 0.524 4.874 4.350 -0.000 0.000 0.281 77 E C -0.609 176.009 176.600 0.031 0.000 1.027 77 E CA -0.267 56.146 56.400 0.021 0.000 0.838 77 E CB 1.473 31.176 29.700 0.006 0.000 1.066 77 E HN 0.469 nan 8.360 nan 0.000 0.401 78 M N 1.053 120.674 119.600 0.034 0.000 2.572 78 M HA 0.177 4.657 4.480 -0.000 0.000 0.299 78 M C 1.021 177.331 176.300 0.016 0.000 1.205 78 M CA -0.597 54.723 55.300 0.033 0.000 0.876 78 M CB 2.129 34.759 32.600 0.051 0.000 1.728 78 M HN 0.534 nan 8.290 nan 0.000 0.458 79 S N 0.362 116.073 115.700 0.018 0.000 2.361 79 S HA -0.045 4.425 4.470 -0.000 0.000 0.214 79 S C 0.415 175.022 174.600 0.012 0.000 1.034 79 S CA 0.858 59.066 58.200 0.013 0.000 1.025 79 S CB -0.103 63.108 63.200 0.017 0.000 0.996 79 S HN 0.807 nan 8.310 nan 0.000 0.422 80 E N -0.048 120.166 120.200 0.024 0.000 2.311 80 E HA 0.466 4.816 4.350 -0.000 0.000 0.281 80 E C -2.047 174.593 176.600 0.066 0.000 0.905 80 E CA -0.621 55.800 56.400 0.035 0.000 0.778 80 E CB 2.193 31.918 29.700 0.041 0.000 1.240 80 E HN 0.199 nan 8.360 nan 0.000 0.410 81 V N 4.628 124.600 119.914 0.097 0.000 2.407 81 V HA 0.516 4.636 4.120 -0.000 0.000 0.278 81 V C 0.108 176.360 176.094 0.263 0.000 1.037 81 V CA -0.412 61.983 62.300 0.158 0.000 0.900 81 V CB 1.110 33.008 31.823 0.124 0.000 0.983 81 V HN 0.598 nan 8.190 nan 0.000 0.459 82 R N 3.358 123.982 120.500 0.207 0.000 2.740 82 R HA 0.644 4.984 4.340 -0.000 0.000 0.282 82 R C -1.214 175.162 176.300 0.127 0.000 0.969 82 R CA -1.038 55.165 56.100 0.173 0.000 0.918 82 R CB 2.235 32.590 30.300 0.091 0.000 1.175 82 R HN 0.552 nan 8.270 nan 0.000 0.464 83 L N 2.142 123.360 121.223 -0.008 0.000 2.305 83 L HA 0.331 4.671 4.340 -0.000 0.000 0.281 83 L C -0.604 176.195 176.870 -0.117 0.000 1.085 83 L CA -0.021 54.685 54.840 -0.223 0.000 0.813 83 L CB 0.905 42.647 42.059 -0.527 0.000 1.157 83 L HN 0.524 nan 8.230 nan 0.000 0.436 84 N N 4.543 123.184 118.700 -0.099 0.000 2.706 84 N HA 0.076 4.816 4.740 -0.000 0.000 0.240 84 N C 0.499 175.965 175.510 -0.073 0.000 1.039 84 N CA -0.408 52.608 53.050 -0.057 0.000 0.888 84 N CB 0.722 39.193 38.487 -0.028 0.000 1.128 84 N HN 0.786 nan 8.380 nan 0.000 0.512 85 L N 3.105 124.286 121.223 -0.069 0.000 2.131 85 L HA -0.016 4.324 4.340 -0.000 0.000 0.210 85 L C 1.047 177.903 176.870 -0.023 0.000 1.092 85 L CA 1.847 56.657 54.840 -0.049 0.000 0.759 85 L CB -0.147 41.916 42.059 0.006 0.000 0.903 85 L HN 0.390 nan 8.230 nan 0.000 0.435 86 D N -0.533 119.857 120.400 -0.017 0.000 2.117 86 D HA -0.191 4.449 4.640 -0.000 0.000 0.198 86 D C 2.133 178.424 176.300 -0.015 0.000 0.982 86 D CA 1.136 55.130 54.000 -0.010 0.000 0.828 86 D CB -0.034 40.760 40.800 -0.009 0.000 0.967 86 D HN 0.155 nan 8.370 nan 0.000 0.464 87 K N 0.119 120.506 120.400 -0.021 0.000 2.148 87 K HA 0.016 4.336 4.320 -0.000 0.000 0.204 87 K C 1.950 178.535 176.600 -0.025 0.000 1.050 87 K CA 0.675 56.950 56.287 -0.019 0.000 0.942 87 K CB -0.201 32.289 32.500 -0.016 0.000 0.724 87 K HN 0.102 nan 8.250 nan 0.000 0.446 88 M N -0.651 118.924 119.600 -0.041 0.000 2.132 88 M HA -0.127 4.353 4.480 -0.000 0.000 0.263 88 M C 1.533 177.807 176.300 -0.043 0.000 1.065 88 M CA 1.334 56.602 55.300 -0.054 0.000 1.122 88 M CB 0.033 32.573 32.600 -0.101 0.000 1.365 88 M HN 0.133 nan 8.290 nan 0.000 0.411 89 M N -0.214 119.368 119.600 -0.030 0.000 2.229 89 M HA -0.184 4.296 4.480 -0.000 0.000 0.264 89 M C 1.941 178.233 176.300 -0.014 0.000 1.063 89 M CA 1.550 56.841 55.300 -0.014 0.000 1.114 89 M CB -1.353 31.252 32.600 0.009 0.000 1.387 89 M HN 0.429 nan 8.290 nan 0.000 0.420 90 E N -0.041 120.150 120.200 -0.015 0.000 2.051 90 E HA -0.237 4.113 4.350 -0.000 0.000 0.192 90 E C 2.046 178.636 176.600 -0.016 0.000 0.991 90 E CA 1.048 57.440 56.400 -0.014 0.000 0.799 90 E CB 0.013 29.706 29.700 -0.013 0.000 0.748 90 E HN 0.368 nan 8.360 nan 0.000 0.449 91 Q N 1.407 121.197 119.800 -0.017 0.000 2.135 91 Q HA -0.226 4.114 4.340 -0.000 0.000 0.204 91 Q C 2.035 178.024 176.000 -0.019 0.000 0.981 91 Q CA 1.717 57.511 55.803 -0.015 0.000 0.856 91 Q CB -0.205 28.527 28.738 -0.010 0.000 0.902 91 Q HN 0.205 nan 8.270 nan 0.000 0.425 92 K N -0.386 120.000 120.400 -0.023 0.000 2.025 92 K HA -0.076 4.244 4.320 -0.000 0.000 0.207 92 K C 2.110 178.695 176.600 -0.026 0.000 1.049 92 K CA 1.604 57.875 56.287 -0.027 0.000 0.933 92 K CB -0.013 32.470 32.500 -0.029 0.000 0.714 92 K HN 0.085 nan 8.250 nan 0.000 0.438 93 S N 0.360 116.048 115.700 -0.021 0.000 2.382 93 S HA -0.098 4.372 4.470 -0.000 0.000 0.228 93 S C 1.886 176.471 174.600 -0.026 0.000 1.027 93 S CA 1.723 59.910 58.200 -0.022 0.000 0.991 93 S CB -0.320 62.870 63.200 -0.016 0.000 0.823 93 S HN 0.440 nan 8.310 nan 0.000 0.469 94 T N 2.249 116.789 114.554 -0.024 0.000 2.777 94 T HA 0.024 4.374 4.350 -0.000 0.000 0.266 94 T C 2.165 176.847 174.700 -0.030 0.000 1.040 94 T CA 1.142 63.227 62.100 -0.025 0.000 1.141 94 T CB -0.418 68.437 68.868 -0.021 0.000 0.868 94 T HN 0.465 nan 8.240 nan 0.000 0.444 95 A N 0.912 123.714 122.820 -0.030 0.000 1.898 95 A HA -0.033 4.287 4.320 -0.000 0.000 0.216 95 A C 2.553 180.110 177.584 -0.044 0.000 1.181 95 A CA 1.272 53.288 52.037 -0.034 0.000 0.620 95 A CB -0.957 18.023 19.000 -0.032 0.000 0.819 95 A HN 0.350 nan 8.150 nan 0.000 0.442 96 V N 0.276 120.163 119.914 -0.045 0.000 2.343 96 V HA -0.257 3.863 4.120 -0.000 0.000 0.247 96 V C 2.534 178.592 176.094 -0.061 0.000 1.051 96 V CA 2.345 64.612 62.300 -0.055 0.000 1.036 96 V CB -0.638 31.156 31.823 -0.048 0.000 0.654 96 V HN 0.672 nan 8.190 nan 0.000 0.451 97 K N 0.296 120.666 120.400 -0.050 0.000 2.057 97 K HA -0.167 4.153 4.320 -0.000 0.000 0.207 97 K C 2.178 178.744 176.600 -0.058 0.000 1.049 97 K CA 1.558 57.815 56.287 -0.051 0.000 0.931 97 K CB -0.304 32.173 32.500 -0.038 0.000 0.714 97 K HN 0.428 nan 8.250 nan 0.000 0.440 98 A N 1.034 123.822 122.820 -0.053 0.000 1.969 98 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 98 A C 2.049 179.590 177.584 -0.070 0.000 1.169 98 A CA 1.102 53.106 52.037 -0.056 0.000 0.635 98 A CB -0.411 18.560 19.000 -0.048 0.000 0.810 98 A HN 0.305 nan 8.150 nan 0.000 0.445 99 L N -0.260 120.915 121.223 -0.079 0.000 2.131 99 L HA -0.109 4.231 4.340 -0.000 0.000 0.206 99 L C 2.956 179.731 176.870 -0.158 0.000 1.087 99 L CA 1.634 56.411 54.840 -0.104 0.000 0.767 99 L CB -0.706 41.295 42.059 -0.097 0.000 0.917 99 L HN 0.621 nan 8.230 nan 0.000 0.441 100 T N -3.282 111.182 114.554 -0.151 0.000 2.867 100 T HA -0.065 4.285 4.350 -0.000 0.000 0.268 100 T C 1.942 176.541 174.700 -0.168 0.000 1.057 100 T CA 0.893 62.879 62.100 -0.190 0.000 1.136 100 T CB -0.717 68.066 68.868 -0.142 0.000 0.874 100 T HN 0.355 nan 8.240 nan 0.000 0.466 101 G N 1.476 110.209 108.800 -0.111 0.000 2.421 101 G HA2 0.066 4.026 3.960 -0.000 0.000 0.216 101 G HA3 0.066 4.026 3.960 -0.000 0.000 0.216 101 G C 1.746 176.607 174.900 -0.066 0.000 1.171 101 G CA 0.622 45.676 45.100 -0.077 0.000 0.775 101 G HN 0.635 nan 8.290 nan 0.000 0.543 102 G N 1.061 109.819 108.800 -0.069 0.000 2.440 102 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.218 102 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.218 102 G C 1.777 176.659 174.900 -0.031 0.000 1.154 102 G CA 0.892 45.997 45.100 0.008 0.000 0.767 102 G HN 0.455 nan 8.290 nan 0.000 0.552 103 I N 1.334 121.747 120.570 -0.261 0.000 2.226 103 I HA -0.196 3.974 4.170 -0.000 0.000 0.245 103 I C 3.308 179.101 176.117 -0.539 0.000 1.100 103 I CA 0.988 61.976 61.300 -0.521 0.000 1.374 103 I CB -0.326 37.157 38.000 -0.861 0.000 1.057 103 I HN 0.254 nan 8.210 nan 0.000 0.413 104 A N 0.557 123.165 122.820 -0.353 0.000 1.940 104 A HA -0.284 4.036 4.320 -0.000 0.000 0.219 104 A C 2.371 179.941 177.584 -0.023 0.000 1.176 104 A CA 2.042 53.968 52.037 -0.185 0.000 0.631 104 A CB -1.100 17.861 19.000 -0.066 0.000 0.814 104 A HN 0.634 nan 8.150 nan 0.000 0.446 105 H N -0.172 118.859 119.070 -0.064 0.000 2.363 105 H HA 0.023 4.579 4.556 -0.000 0.000 0.301 105 H C 1.855 177.208 175.328 0.042 0.000 1.074 105 H CA 1.560 57.608 56.048 0.000 0.000 1.354 105 H CB -0.374 29.380 29.762 -0.014 0.000 1.397 105 H HN 0.407 nan 8.280 nan 0.000 0.516 106 L N -0.132 120.818 121.223 -0.456 0.000 2.083 106 L HA -0.165 4.175 4.340 -0.000 0.000 0.209 106 L C 2.705 179.584 176.870 0.015 0.000 1.083 106 L CA 0.804 55.437 54.840 -0.346 0.000 0.752 106 L CB -0.525 41.493 42.059 -0.068 0.000 0.899 106 L HN 0.145 nan 8.230 nan 0.000 0.433 107 F N 0.610 120.499 119.950 -0.103 0.000 2.134 107 F HA -0.206 4.321 4.527 -0.000 0.000 0.299 107 F C 2.557 178.330 175.800 -0.044 0.000 1.097 107 F CA 1.114 59.090 58.000 -0.041 0.000 1.264 107 F CB -0.720 38.273 39.000 -0.011 0.000 1.001 107 F HN -0.012 nan 8.300 nan 0.000 0.479 108 K N 0.254 120.742 120.400 0.147 0.000 2.009 108 K HA -0.235 4.085 4.320 -0.000 0.000 0.210 108 K C 2.044 178.656 176.600 0.021 0.000 1.049 108 K CA 1.335 57.666 56.287 0.074 0.000 0.929 108 K CB -0.973 31.569 32.500 0.070 0.000 0.714 108 K HN 0.384 nan 8.250 nan 0.000 0.440 109 Q N 0.759 120.529 119.800 -0.051 0.000 2.152 109 Q HA -0.139 4.201 4.340 -0.000 0.000 0.206 109 Q C 1.096 177.086 176.000 -0.016 0.000 0.985 109 Q CA 1.391 57.161 55.803 -0.056 0.000 0.863 109 Q CB 0.094 28.728 28.738 -0.172 0.000 0.904 109 Q HN 0.266 nan 8.270 nan 0.000 0.422 110 N N -0.234 118.466 118.700 -0.001 0.000 2.280 110 N HA 0.042 4.782 4.740 -0.000 0.000 0.192 110 N C -0.405 175.101 175.510 -0.006 0.000 1.109 110 N CA 0.325 53.378 53.050 0.005 0.000 0.855 110 N CB 0.599 39.099 38.487 0.022 0.000 0.974 110 N HN 0.199 nan 8.380 nan 0.000 0.482 111 K N -0.580 119.820 120.400 -0.000 0.000 3.423 111 K HA -0.106 4.214 4.320 -0.000 0.000 0.306 111 K C -0.624 175.952 176.600 -0.041 0.000 1.331 111 K CA 0.139 56.421 56.287 -0.009 0.000 0.905 111 K CB -1.596 30.899 32.500 -0.008 0.000 1.332 111 K HN -0.070 nan 8.250 nan 0.000 0.473 112 V N 1.912 121.774 119.914 -0.087 0.000 2.508 112 V HA 0.080 4.200 4.120 -0.000 0.000 0.281 112 V C 0.751 176.753 176.094 -0.155 0.000 1.041 112 V CA -0.274 61.886 62.300 -0.234 0.000 1.016 112 V CB 1.455 32.908 31.823 -0.617 0.000 0.984 112 V HN 0.025 nan 8.190 nan 0.000 0.478 113 V N 5.881 125.726 119.914 -0.114 0.000 2.406 113 V HA 0.187 4.307 4.120 -0.000 0.000 0.272 113 V C 0.317 176.426 176.094 0.025 0.000 1.043 113 V CA -0.404 61.885 62.300 -0.020 0.000 0.915 113 V CB 0.758 32.573 31.823 -0.013 0.000 0.988 113 V HN 0.899 nan 8.190 nan 0.000 0.466 114 H N 4.917 123.991 119.070 0.007 0.000 2.604 114 H HA 0.540 5.096 4.556 -0.000 0.000 0.306 114 H C -1.203 174.159 175.328 0.056 0.000 1.075 114 H CA -0.701 55.395 56.048 0.080 0.000 1.357 114 H CB 1.414 31.307 29.762 0.218 0.000 1.426 114 H HN 0.447 nan 8.280 nan 0.000 0.470 115 V N 6.263 126.290 119.914 0.187 0.000 2.357 115 V HA 0.023 4.143 4.120 -0.000 0.000 0.284 115 V C 0.165 176.288 176.094 0.050 0.000 1.018 115 V CA -0.935 61.371 62.300 0.011 0.000 0.841 115 V CB 1.139 32.988 31.823 0.043 0.000 0.991 115 V HN 0.759 nan 8.190 nan 0.000 0.437 116 N N 4.104 122.735 118.700 -0.115 0.000 2.415 116 N HA 0.628 5.368 4.740 -0.000 0.000 0.246 116 N C -0.023 175.514 175.510 0.044 0.000 1.078 116 N CA 0.650 53.706 53.050 0.010 0.000 0.942 116 N CB 1.334 39.785 38.487 -0.060 0.000 1.140 116 N HN 0.948 nan 8.380 nan 0.000 0.501 117 G N 1.839 110.689 108.800 0.085 0.000 2.349 117 G HA2 0.159 4.119 3.960 -0.000 0.000 0.294 117 G HA3 0.159 4.119 3.960 -0.000 0.000 0.294 117 G C -2.265 172.714 174.900 0.132 0.000 1.380 117 G CA -0.742 44.421 45.100 0.105 0.000 0.811 117 G HN 0.312 nan 8.290 nan 0.000 0.519 118 Y N 1.337 121.672 120.300 0.059 0.000 2.383 118 Y HA 0.552 5.102 4.550 -0.000 0.000 0.344 118 Y C 0.829 176.765 175.900 0.061 0.000 0.986 118 Y CA 0.077 58.220 58.100 0.071 0.000 1.175 118 Y CB 1.118 39.619 38.460 0.068 0.000 1.152 118 Y HN 0.696 nan 8.280 nan 0.000 0.511 119 G N 5.827 114.699 108.800 0.119 0.000 2.370 119 G HA2 0.373 4.333 3.960 -0.000 0.000 0.272 119 G HA3 0.373 4.333 3.960 -0.000 0.000 0.272 119 G C -1.243 173.771 174.900 0.190 0.000 1.208 119 G CA -0.684 44.494 45.100 0.130 0.000 0.856 119 G HN 0.612 nan 8.290 nan 0.000 0.500 120 K N 2.850 123.337 120.400 0.144 0.000 2.507 120 K HA 0.343 4.663 4.320 -0.000 0.000 0.251 120 K C -0.350 176.288 176.600 0.064 0.000 0.943 120 K CA -0.850 55.505 56.287 0.114 0.000 0.794 120 K CB 1.540 34.104 32.500 0.106 0.000 1.188 120 K HN 0.410 nan 8.250 nan 0.000 0.428 121 I N 4.604 125.203 120.570 0.047 0.000 2.494 121 I HA -0.027 4.143 4.170 -0.000 0.000 0.289 121 I C 1.223 177.354 176.117 0.023 0.000 1.106 121 I CA 0.237 61.555 61.300 0.030 0.000 1.369 121 I CB 0.763 38.777 38.000 0.022 0.000 1.410 121 I HN 0.733 nan 8.210 nan 0.000 0.523 122 T N 1.407 115.973 114.554 0.021 0.000 3.145 122 T HA 0.473 4.823 4.350 -0.000 0.000 0.255 122 T C 0.478 175.183 174.700 0.009 0.000 1.039 122 T CA -0.207 61.902 62.100 0.015 0.000 0.928 122 T CB 0.264 69.142 68.868 0.017 0.000 1.029 122 T HN 0.831 nan 8.240 nan 0.000 0.554 123 G N 0.354 109.159 108.800 0.008 0.000 2.358 123 G HA2 0.254 4.214 3.960 -0.000 0.000 0.301 123 G HA3 0.254 4.214 3.960 -0.000 0.000 0.301 123 G C -0.021 174.881 174.900 0.004 0.000 1.539 123 G CA -0.844 44.258 45.100 0.004 0.000 0.893 123 G HN -0.054 nan 8.290 nan 0.000 0.636 124 K N -0.325 120.075 120.400 0.000 0.000 2.173 124 K HA -0.108 4.212 4.320 -0.000 0.000 0.207 124 K C 0.851 177.452 176.600 0.003 0.000 1.046 124 K CA 1.402 57.688 56.287 -0.001 0.000 0.929 124 K CB 0.036 32.533 32.500 -0.005 0.000 0.720 124 K HN 0.397 nan 8.250 nan 0.000 0.453 125 N N 0.437 119.140 118.700 0.004 0.000 2.351 125 N HA 0.029 4.769 4.740 -0.000 0.000 0.254 125 N C -0.912 174.601 175.510 0.005 0.000 1.241 125 N CA 0.066 53.118 53.050 0.004 0.000 0.883 125 N CB 1.226 39.715 38.487 0.004 0.000 1.202 125 N HN 0.212 nan 8.380 nan 0.000 0.512 126 Q N 0.787 120.592 119.800 0.007 0.000 2.315 126 Q HA 0.472 4.812 4.340 -0.000 0.000 0.273 126 Q C -1.856 174.153 176.000 0.015 0.000 1.053 126 Q CA -0.522 55.286 55.803 0.010 0.000 0.817 126 Q CB 2.549 31.292 28.738 0.009 0.000 1.326 126 Q HN -0.130 nan 8.270 nan 0.000 0.423 127 V N 2.159 122.083 119.914 0.017 0.000 2.638 127 V HA 0.550 4.670 4.120 -0.000 0.000 0.306 127 V C -0.733 175.380 176.094 0.030 0.000 1.052 127 V CA -0.575 61.741 62.300 0.026 0.000 0.885 127 V CB 2.252 34.090 31.823 0.025 0.000 0.999 127 V HN 0.843 nan 8.190 nan 0.000 0.424 128 T N 3.764 118.343 114.554 0.041 0.000 2.792 128 T HA 0.712 5.062 4.350 -0.000 0.000 0.280 128 T C -0.101 174.639 174.700 0.068 0.000 0.990 128 T CA -0.290 61.837 62.100 0.045 0.000 0.960 128 T CB 1.593 70.484 68.868 0.038 0.000 0.939 128 T HN 0.939 nan 8.240 nan 0.000 0.439 129 A N 2.904 125.763 122.820 0.064 0.000 2.276 129 A HA 0.672 4.992 4.320 -0.000 0.000 0.316 129 A C 0.216 177.851 177.584 0.084 0.000 1.229 129 A CA -0.642 51.446 52.037 0.086 0.000 0.851 129 A CB 0.430 19.471 19.000 0.067 0.000 1.165 129 A HN 0.695 nan 8.150 nan 0.000 0.513 130 T N 3.980 118.606 114.554 0.119 0.000 2.788 130 T HA 0.315 4.665 4.350 -0.000 0.000 0.296 130 T C 0.107 174.869 174.700 0.102 0.000 1.009 130 T CA -0.478 61.676 62.100 0.090 0.000 0.949 130 T CB 0.597 69.506 68.868 0.068 0.000 0.946 130 T HN 0.704 nan 8.240 nan 0.000 0.453 131 K N 1.428 121.868 120.400 0.068 0.000 2.149 131 K HA 0.488 4.808 4.320 -0.000 0.000 0.245 131 K C 1.663 178.298 176.600 0.058 0.000 1.024 131 K CA -0.569 55.754 56.287 0.061 0.000 0.899 131 K CB 0.375 32.895 32.500 0.034 0.000 1.038 131 K HN 0.498 nan 8.250 nan 0.000 0.496 132 A N 1.742 124.594 122.820 0.054 0.000 1.892 132 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 132 A C 1.327 178.929 177.584 0.029 0.000 1.188 132 A CA 2.311 54.375 52.037 0.046 0.000 0.631 132 A CB -0.970 18.054 19.000 0.041 0.000 0.822 132 A HN 0.923 nan 8.150 nan 0.000 0.447 133 D N -2.419 117.995 120.400 0.023 0.000 2.344 133 D HA 0.362 5.002 4.640 -0.000 0.000 0.242 133 D C 1.042 177.350 176.300 0.013 0.000 1.159 133 D CA 0.837 54.846 54.000 0.015 0.000 0.859 133 D CB -0.459 40.348 40.800 0.012 0.000 0.925 133 D HN 0.698 nan 8.370 nan 0.000 0.510 134 G N -0.834 107.976 108.800 0.016 0.000 2.234 134 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.260 134 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.260 134 G C 0.789 175.698 174.900 0.015 0.000 0.987 134 G CA -0.107 45.001 45.100 0.013 0.000 0.625 134 G HN 0.837 nan 8.290 nan 0.000 0.532 135 G N 0.171 108.981 108.800 0.016 0.000 2.630 135 G HA2 0.557 4.517 3.960 -0.000 0.000 0.236 135 G HA3 0.557 4.517 3.960 -0.000 0.000 0.236 135 G C 0.416 175.328 174.900 0.020 0.000 1.248 135 G CA 1.422 46.531 45.100 0.015 0.000 0.844 135 G HN 1.565 nan 8.290 nan 0.000 0.588 136 T N -1.744 112.820 114.554 0.017 0.000 2.906 136 T HA 0.628 4.978 4.350 -0.000 0.000 0.295 136 T C -0.767 173.944 174.700 0.018 0.000 1.075 136 T CA -0.901 61.212 62.100 0.022 0.000 1.005 136 T CB 2.342 71.222 68.868 0.021 0.000 1.136 136 T HN 0.586 nan 8.240 nan 0.000 0.498 137 Q N 1.310 121.124 119.800 0.023 0.000 2.275 137 Q HA 0.594 4.934 4.340 -0.000 0.000 0.266 137 Q C -1.804 174.208 176.000 0.020 0.000 1.002 137 Q CA -0.615 55.198 55.803 0.017 0.000 0.761 137 Q CB 1.759 30.505 28.738 0.014 0.000 1.255 137 Q HN 0.739 nan 8.270 nan 0.000 0.446 138 V N 5.648 125.571 119.914 0.015 0.000 2.539 138 V HA 0.564 4.684 4.120 -0.000 0.000 0.292 138 V C -0.199 175.902 176.094 0.012 0.000 1.045 138 V CA -0.466 61.843 62.300 0.015 0.000 0.945 138 V CB 1.416 33.247 31.823 0.012 0.000 0.993 138 V HN 0.766 nan 8.190 nan 0.000 0.464 139 I N 3.652 124.229 120.570 0.012 0.000 2.468 139 I HA 0.366 4.536 4.170 -0.000 0.000 0.285 139 I C -0.658 175.462 176.117 0.005 0.000 1.039 139 I CA -0.336 60.968 61.300 0.007 0.000 1.074 139 I CB 1.696 39.700 38.000 0.006 0.000 1.228 139 I HN 0.476 nan 8.210 nan 0.000 0.436 140 D N 4.792 125.194 120.400 0.003 0.000 2.313 140 D HA 0.307 4.947 4.640 -0.000 0.000 0.239 140 D C -0.218 176.082 176.300 -0.001 0.000 1.142 140 D CA 0.203 54.205 54.000 0.003 0.000 0.847 140 D CB 2.193 42.996 40.800 0.004 0.000 1.082 140 D HN 0.401 nan 8.370 nan 0.000 0.480 141 T N 0.888 115.440 114.554 -0.004 0.000 2.909 141 T HA 0.185 4.535 4.350 -0.000 0.000 0.299 141 T C 0.915 175.608 174.700 -0.013 0.000 1.073 141 T CA -0.658 61.434 62.100 -0.013 0.000 0.999 141 T CB 1.605 70.460 68.868 -0.022 0.000 1.098 141 T HN 0.143 nan 8.240 nan 0.000 0.477 142 K N 1.856 122.243 120.400 -0.022 0.000 2.057 142 K HA 0.103 4.423 4.320 -0.000 0.000 0.206 142 K C 0.564 177.156 176.600 -0.014 0.000 1.050 142 K CA 0.848 57.126 56.287 -0.015 0.000 0.935 142 K CB 0.061 32.550 32.500 -0.018 0.000 0.715 142 K HN 0.488 nan 8.250 nan 0.000 0.439 143 N N 0.321 118.994 118.700 -0.046 0.000 2.240 143 N HA 0.371 5.111 4.740 -0.000 0.000 0.302 143 N C -0.996 174.510 175.510 -0.007 0.000 1.106 143 N CA -0.500 52.548 53.050 -0.004 0.000 0.778 143 N CB 2.397 40.838 38.487 -0.076 0.000 1.431 143 N HN -0.098 nan 8.380 nan 0.000 0.479 144 I N 1.450 122.061 120.570 0.069 0.000 2.474 144 I HA 0.331 4.501 4.170 -0.000 0.000 0.294 144 I C -0.911 175.267 176.117 0.100 0.000 1.005 144 I CA -0.873 60.458 61.300 0.051 0.000 1.113 144 I CB 2.076 40.105 38.000 0.048 0.000 1.289 144 I HN 0.206 nan 8.210 nan 0.000 0.436 145 L N 8.068 129.311 121.223 0.033 0.000 2.342 145 L HA 0.556 4.896 4.340 -0.000 0.000 0.276 145 L C -0.775 176.117 176.870 0.038 0.000 0.997 145 L CA -0.130 54.732 54.840 0.037 0.000 0.838 145 L CB 1.077 43.095 42.059 -0.068 0.000 1.224 145 L HN 0.389 nan 8.230 nan 0.000 0.416 146 I N 5.563 126.174 120.570 0.070 0.000 2.379 146 I HA 0.443 4.613 4.170 -0.000 0.000 0.290 146 I C 0.642 176.790 176.117 0.051 0.000 1.063 146 I CA 0.087 61.421 61.300 0.056 0.000 1.351 146 I CB 1.247 39.284 38.000 0.062 0.000 1.410 146 I HN 0.842 nan 8.210 nan 0.000 0.505 147 A N 3.615 126.460 122.820 0.041 0.000 2.843 147 A HA 0.183 4.503 4.320 -0.000 0.000 0.248 147 A C 1.085 178.702 177.584 0.055 0.000 0.904 147 A CA -0.266 51.794 52.037 0.038 0.000 1.091 147 A CB -0.372 18.639 19.000 0.019 0.000 1.208 147 A HN 0.734 nan 8.150 nan 0.000 0.476 148 T N -3.187 111.412 114.554 0.076 0.000 3.113 148 T HA 0.363 4.713 4.350 -0.000 0.000 0.263 148 T C 1.572 176.370 174.700 0.163 0.000 1.143 148 T CA 1.248 63.424 62.100 0.126 0.000 1.090 148 T CB -0.399 68.565 68.868 0.160 0.000 0.922 148 T HN 1.921 nan 8.240 nan 0.000 0.521 149 G N 1.787 110.653 108.800 0.111 0.000 2.611 149 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.301 149 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.301 149 G C 0.130 175.111 174.900 0.135 0.000 1.233 149 G CA 0.862 46.018 45.100 0.094 0.000 0.993 149 G HN 1.672 nan 8.290 nan 0.000 0.553 150 S N -0.538 115.216 115.700 0.090 0.000 2.720 150 S HA 0.787 5.257 4.470 -0.000 0.000 0.287 150 S C -0.709 173.898 174.600 0.011 0.000 1.168 150 S CA 0.365 58.623 58.200 0.096 0.000 0.832 150 S CB 2.463 65.700 63.200 0.062 0.000 1.166 150 S HN 1.701 nan 8.310 nan 0.000 0.493 151 E N -0.415 119.808 120.200 0.038 0.000 2.433 151 E HA 0.664 5.014 4.350 -0.000 0.000 0.273 151 E C -1.370 175.246 176.600 0.026 0.000 0.950 151 E CA -1.281 55.109 56.400 -0.016 0.000 0.796 151 E CB 1.470 31.160 29.700 -0.017 0.000 1.330 151 E HN 0.399 nan 8.360 nan 0.000 0.455 152 V N 1.538 121.461 119.914 0.016 0.000 2.655 152 V HA 0.078 4.198 4.120 -0.000 0.000 0.300 152 V C 0.100 176.226 176.094 0.053 0.000 1.044 152 V CA 0.210 62.532 62.300 0.037 0.000 1.095 152 V CB 1.067 32.910 31.823 0.033 0.000 0.952 152 V HN 0.700 nan 8.190 nan 0.000 0.485 153 T N 8.353 122.942 114.554 0.058 0.000 2.794 153 T HA 0.267 4.617 4.350 -0.000 0.000 0.296 153 T C -2.027 172.715 174.700 0.070 0.000 0.949 153 T CA -0.541 61.593 62.100 0.056 0.000 1.101 153 T CB 0.967 69.861 68.868 0.042 0.000 0.905 153 T HN 0.605 nan 8.240 nan 0.000 0.516 154 P HA 0.336 nan 4.420 nan 0.000 0.276 154 P C -0.992 176.380 177.300 0.121 0.000 1.252 154 P CA -0.673 62.485 63.100 0.098 0.000 0.802 154 P CB 0.709 32.456 31.700 0.078 0.000 1.035 155 F N 2.181 122.134 119.950 0.004 0.000 2.388 155 F HA 0.447 4.974 4.527 -0.000 0.000 0.358 155 F C -2.359 173.440 175.800 -0.002 0.000 1.122 155 F CA -3.054 54.945 58.000 -0.002 0.000 1.056 155 F CB 0.928 39.928 39.000 -0.000 0.000 1.155 155 F HN 0.096 nan 8.300 nan 0.000 0.461 156 P HA 0.325 nan 4.420 nan 0.000 0.271 156 P C 0.424 177.872 177.300 0.246 0.000 1.233 156 P CA 0.947 64.090 63.100 0.072 0.000 0.764 156 P CB 0.892 32.553 31.700 -0.065 0.000 0.825 157 G N 3.373 112.294 108.800 0.200 0.000 2.397 157 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.211 157 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.211 157 G C 0.053 175.033 174.900 0.132 0.000 1.077 157 G CA -0.451 44.753 45.100 0.174 0.000 0.649 157 G HN 0.488 nan 8.290 nan 0.000 0.511 158 I N 2.992 123.666 120.570 0.172 0.000 2.312 158 I HA 0.393 4.563 4.170 -0.000 0.000 0.291 158 I C -0.010 176.126 176.117 0.033 0.000 1.031 158 I CA -0.267 61.028 61.300 -0.008 0.000 1.293 158 I CB 1.562 39.394 38.000 -0.280 0.000 1.403 158 I HN 0.045 nan 8.210 nan 0.000 0.484 159 T N 7.357 121.915 114.554 0.007 0.000 2.744 159 T HA 0.477 4.827 4.350 -0.000 0.000 0.291 159 T C 0.175 174.872 174.700 -0.006 0.000 0.957 159 T CA -0.334 61.774 62.100 0.013 0.000 1.002 159 T CB 0.610 69.484 68.868 0.010 0.000 0.919 159 T HN 0.273 nan 8.240 nan 0.000 0.468 160 I N 3.857 124.430 120.570 0.005 0.000 2.416 160 I HA 0.178 4.348 4.170 -0.000 0.000 0.288 160 I C 0.679 176.791 176.117 -0.009 0.000 1.051 160 I CA -0.235 61.061 61.300 -0.006 0.000 1.375 160 I CB 0.889 38.893 38.000 0.007 0.000 1.407 160 I HN 0.729 nan 8.210 nan 0.000 0.516 161 D N 3.664 124.052 120.400 -0.021 0.000 2.469 161 D HA -0.009 4.631 4.640 -0.000 0.000 0.213 161 D C 0.329 176.615 176.300 -0.024 0.000 1.135 161 D CA -0.162 53.827 54.000 -0.020 0.000 0.834 161 D CB 0.264 41.050 40.800 -0.023 0.000 1.009 161 D HN 0.380 nan 8.370 nan 0.000 0.507 162 E N -0.261 119.922 120.200 -0.029 0.000 2.791 162 E HA -0.235 4.115 4.350 -0.000 0.000 0.271 162 E C 0.009 176.581 176.600 -0.047 0.000 1.044 162 E CA 1.305 57.685 56.400 -0.033 0.000 0.814 162 E CB -1.613 28.074 29.700 -0.021 0.000 1.400 162 E HN 0.598 nan 8.360 nan 0.000 0.423 163 D N -0.960 119.406 120.400 -0.056 0.000 3.234 163 D HA 0.074 4.714 4.640 -0.000 0.000 0.281 163 D C 1.654 177.900 176.300 -0.090 0.000 1.405 163 D CA 2.063 56.023 54.000 -0.067 0.000 1.115 163 D CB -0.034 40.733 40.800 -0.054 0.000 1.198 163 D HN 0.135 nan 8.370 nan 0.000 0.388 164 T N -1.855 112.649 114.554 -0.083 0.000 2.955 164 T HA 0.366 4.716 4.350 -0.000 0.000 0.251 164 T C 0.873 175.515 174.700 -0.097 0.000 1.002 164 T CA -0.186 61.854 62.100 -0.099 0.000 0.970 164 T CB 0.488 69.304 68.868 -0.086 0.000 1.091 164 T HN 0.104 nan 8.240 nan 0.000 0.495 165 I N 3.723 124.246 120.570 -0.079 0.000 2.460 165 I HA 0.461 4.631 4.170 -0.000 0.000 0.277 165 I C -0.298 175.783 176.117 -0.059 0.000 1.057 165 I CA -1.189 60.066 61.300 -0.075 0.000 1.179 165 I CB 1.590 39.548 38.000 -0.071 0.000 1.329 165 I HN 0.134 nan 8.210 nan 0.000 0.478 166 V N 2.452 122.329 119.914 -0.062 0.000 3.093 166 V HA 0.791 4.911 4.120 -0.000 0.000 0.320 166 V C 0.223 176.308 176.094 -0.016 0.000 1.093 166 V CA -0.379 61.896 62.300 -0.042 0.000 1.016 166 V CB 1.759 33.548 31.823 -0.058 0.000 1.096 166 V HN 0.644 nan 8.190 nan 0.000 0.452 167 S N 0.568 116.269 115.700 0.001 0.000 2.786 167 S HA 0.418 4.888 4.470 -0.000 0.000 0.307 167 S C 1.329 175.949 174.600 0.033 0.000 1.121 167 S CA 0.118 58.331 58.200 0.021 0.000 0.975 167 S CB 1.221 64.433 63.200 0.021 0.000 1.220 167 S HN 1.793 nan 8.310 nan 0.000 0.550 168 S N 0.514 116.243 115.700 0.048 0.000 2.387 168 S HA -0.148 4.322 4.470 -0.000 0.000 0.230 168 S C 1.730 176.363 174.600 0.055 0.000 1.035 168 S CA 1.924 60.162 58.200 0.063 0.000 1.014 168 S CB -1.732 61.506 63.200 0.062 0.000 0.836 168 S HN 0.796 nan 8.310 nan 0.000 0.466 169 T N 2.050 116.624 114.554 0.033 0.000 2.674 169 T HA 0.024 4.374 4.350 -0.000 0.000 0.265 169 T C 2.087 176.803 174.700 0.028 0.000 1.039 169 T CA 1.494 63.608 62.100 0.023 0.000 1.150 169 T CB -1.134 67.737 68.868 0.005 0.000 0.864 169 T HN 0.641 nan 8.240 nan 0.000 0.427 170 G N 0.915 109.725 108.800 0.016 0.000 2.408 170 G HA2 0.016 3.976 3.960 -0.000 0.000 0.217 170 G HA3 0.016 3.976 3.960 -0.000 0.000 0.217 170 G C 1.828 176.737 174.900 0.016 0.000 1.150 170 G CA 0.820 45.922 45.100 0.003 0.000 0.776 170 G HN 0.573 nan 8.290 nan 0.000 0.542 171 A N 0.628 123.473 122.820 0.043 0.000 1.978 171 A HA 0.081 4.401 4.320 -0.000 0.000 0.220 171 A C 2.306 180.054 177.584 0.273 0.000 1.170 171 A CA 1.097 53.200 52.037 0.109 0.000 0.636 171 A CB -0.340 18.747 19.000 0.144 0.000 0.810 171 A HN 0.366 nan 8.150 nan 0.000 0.448 172 L N -0.651 120.680 121.223 0.181 0.000 2.465 172 L HA -0.001 4.339 4.340 -0.000 0.000 0.224 172 L C 1.223 178.194 176.870 0.168 0.000 1.145 172 L CA 0.826 55.769 54.840 0.171 0.000 0.834 172 L CB 0.108 42.216 42.059 0.082 0.000 0.944 172 L HN 0.244 nan 8.230 nan 0.000 0.451 173 S N -0.580 115.203 115.700 0.137 0.000 2.846 173 S HA 0.311 4.781 4.470 -0.000 0.000 0.249 173 S C 0.443 175.086 174.600 0.071 0.000 1.028 173 S CA -0.510 57.749 58.200 0.098 0.000 1.043 173 S CB 0.257 63.483 63.200 0.042 0.000 0.990 173 S HN 0.100 nan 8.310 nan 0.000 0.564 174 L N 2.210 123.471 121.223 0.064 0.000 2.593 174 L HA -0.017 4.323 4.340 -0.000 0.000 0.287 174 L C 1.387 178.235 176.870 -0.037 0.000 1.243 174 L CA 0.387 55.154 54.840 -0.121 0.000 0.890 174 L CB 0.346 42.075 42.059 -0.551 0.000 1.134 174 L HN 0.222 nan 8.230 nan 0.000 0.502 175 K N 2.560 122.913 120.400 -0.077 0.000 2.296 175 K HA -0.013 4.307 4.320 -0.000 0.000 0.200 175 K C 0.076 176.652 176.600 -0.041 0.000 1.048 175 K CA 0.799 57.062 56.287 -0.039 0.000 0.966 175 K CB 0.097 32.568 32.500 -0.048 0.000 0.754 175 K HN 0.553 nan 8.250 nan 0.000 0.466 176 K N -0.874 119.468 120.400 -0.097 0.000 2.555 176 K HA 0.308 4.628 4.320 -0.000 0.000 0.279 176 K C -0.933 175.566 176.600 -0.168 0.000 0.986 176 K CA -0.919 55.319 56.287 -0.082 0.000 0.880 176 K CB 1.724 34.175 32.500 -0.081 0.000 1.474 176 K HN -0.314 nan 8.250 nan 0.000 0.433 177 V N 3.155 123.030 119.914 -0.066 0.000 2.439 177 V HA 0.190 4.310 4.120 -0.000 0.000 0.271 177 V C -1.725 174.274 176.094 -0.159 0.000 1.040 177 V CA -1.125 61.136 62.300 -0.064 0.000 1.002 177 V CB 0.245 32.125 31.823 0.094 0.000 1.000 177 V HN 0.748 nan 8.190 nan 0.000 0.477 178 P HA 0.114 nan 4.420 nan 0.000 0.272 178 P C 0.452 177.677 177.300 -0.125 0.000 1.223 178 P CA -0.288 62.683 63.100 -0.215 0.000 0.784 178 P CB 0.997 32.523 31.700 -0.289 0.000 0.923 179 E N 1.431 121.572 120.200 -0.097 0.000 2.170 179 E HA -0.013 4.337 4.350 -0.000 0.000 0.191 179 E C 0.359 176.917 176.600 -0.069 0.000 0.981 179 E CA 0.543 56.904 56.400 -0.066 0.000 0.830 179 E CB 0.176 29.846 29.700 -0.050 0.000 0.775 179 E HN 0.288 nan 8.360 nan 0.000 0.470 180 K N 0.509 120.858 120.400 -0.085 0.000 2.507 180 K HA 0.421 4.741 4.320 -0.000 0.000 0.251 180 K C -1.768 174.768 176.600 -0.107 0.000 0.943 180 K CA -0.639 55.599 56.287 -0.083 0.000 0.794 180 K CB 1.923 34.384 32.500 -0.065 0.000 1.188 180 K HN 0.093 nan 8.250 nan 0.000 0.428 181 M N 4.170 123.703 119.600 -0.111 0.000 2.386 181 M HA 0.416 4.896 4.480 -0.000 0.000 0.293 181 M C -1.801 174.442 176.300 -0.096 0.000 1.120 181 M CA -0.849 54.376 55.300 -0.124 0.000 0.909 181 M CB 1.944 34.448 32.600 -0.160 0.000 1.661 181 M HN 0.328 nan 8.290 nan 0.000 0.452 182 V N 4.838 124.705 119.914 -0.080 0.000 2.495 182 V HA 0.580 4.700 4.120 -0.000 0.000 0.298 182 V C -0.761 175.315 176.094 -0.031 0.000 1.031 182 V CA -0.676 61.594 62.300 -0.049 0.000 0.871 182 V CB 1.958 33.754 31.823 -0.046 0.000 0.988 182 V HN 0.694 nan 8.190 nan 0.000 0.432 183 V N 6.113 126.035 119.914 0.013 0.000 2.417 183 V HA 0.497 4.617 4.120 -0.000 0.000 0.291 183 V C -0.117 176.022 176.094 0.074 0.000 1.024 183 V CA -0.506 61.827 62.300 0.054 0.000 0.861 183 V CB 1.743 33.638 31.823 0.120 0.000 0.985 183 V HN 0.662 nan 8.190 nan 0.000 0.436 184 I N 4.491 125.101 120.570 0.067 0.000 2.304 184 I HA 0.693 4.863 4.170 -0.000 0.000 0.291 184 I C 0.783 176.980 176.117 0.134 0.000 1.018 184 I CA 0.060 61.417 61.300 0.095 0.000 1.260 184 I CB 0.948 38.993 38.000 0.075 0.000 1.390 184 I HN 0.903 nan 8.210 nan 0.000 0.475 185 G N 4.487 113.378 108.800 0.153 0.000 3.067 185 G HA2 0.123 4.083 3.960 -0.000 0.000 0.686 185 G HA3 0.123 4.083 3.960 -0.000 0.000 0.686 185 G C -0.404 174.598 174.900 0.169 0.000 1.119 185 G CA -0.354 44.837 45.100 0.152 0.000 0.790 185 G HN 0.945 nan 8.290 nan 0.000 0.605 186 A N 1.655 124.565 122.820 0.151 0.000 2.965 186 A HA 0.792 5.112 4.320 -0.000 0.000 0.304 186 A C 1.323 178.989 177.584 0.137 0.000 1.214 186 A CA 1.079 53.222 52.037 0.177 0.000 0.977 186 A CB -0.197 18.908 19.000 0.174 0.000 1.127 186 A HN 2.153 nan 8.150 nan 0.000 0.572 187 G N -0.915 107.975 108.800 0.149 0.000 2.553 187 G HA2 0.365 4.325 3.960 -0.000 0.000 0.278 187 G HA3 0.365 4.325 3.960 -0.000 0.000 0.278 187 G C 1.298 176.324 174.900 0.211 0.000 1.349 187 G CA 0.276 45.471 45.100 0.159 0.000 1.037 187 G HN 0.790 nan 8.290 nan 0.000 0.508 188 V N -1.265 118.781 119.914 0.219 0.000 2.295 188 V HA -0.153 3.967 4.120 -0.000 0.000 0.246 188 V C 2.636 178.865 176.094 0.225 0.000 1.049 188 V CA 1.741 64.184 62.300 0.239 0.000 1.024 188 V CB -0.978 30.971 31.823 0.211 0.000 0.648 188 V HN 0.601 nan 8.190 nan 0.000 0.447 189 I N 1.785 122.466 120.570 0.185 0.000 2.179 189 I HA -0.123 4.047 4.170 -0.000 0.000 0.242 189 I C 2.797 179.029 176.117 0.193 0.000 1.088 189 I CA 1.886 63.287 61.300 0.167 0.000 1.357 189 I CB -1.065 37.014 38.000 0.130 0.000 1.051 189 I HN 0.471 nan 8.210 nan 0.000 0.409 190 G N 0.260 109.183 108.800 0.205 0.000 2.408 190 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.217 190 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.217 190 G C 1.714 176.812 174.900 0.331 0.000 1.150 190 G CA 0.649 45.890 45.100 0.236 0.000 0.776 190 G HN 0.232 nan 8.290 nan 0.000 0.542 191 V N 0.735 120.859 119.914 0.351 0.000 2.358 191 V HA -0.158 3.962 4.120 -0.000 0.000 0.246 191 V C 2.699 179.071 176.094 0.463 0.000 1.047 191 V CA 2.151 64.723 62.300 0.453 0.000 1.035 191 V CB -0.435 31.627 31.823 0.397 0.000 0.658 191 V HN 0.470 nan 8.190 nan 0.000 0.452 192 E N 0.038 120.441 120.200 0.338 0.000 2.051 192 E HA -0.190 4.160 4.350 -0.000 0.000 0.192 192 E C 2.268 178.986 176.600 0.197 0.000 0.991 192 E CA 1.278 57.839 56.400 0.269 0.000 0.799 192 E CB -0.226 29.607 29.700 0.221 0.000 0.748 192 E HN 0.476 nan 8.360 nan 0.000 0.449 193 L N 0.497 121.835 121.223 0.192 0.000 2.083 193 L HA -0.121 4.219 4.340 -0.000 0.000 0.209 193 L C 2.569 179.534 176.870 0.157 0.000 1.083 193 L CA 1.193 56.132 54.840 0.165 0.000 0.752 193 L CB -0.619 41.560 42.059 0.200 0.000 0.899 193 L HN 0.245 nan 8.230 nan 0.000 0.433 194 G N -1.507 107.384 108.800 0.151 0.000 2.402 194 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.216 194 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.216 194 G C 1.785 176.462 174.900 -0.371 0.000 1.162 194 G CA 0.899 45.909 45.100 -0.149 0.000 0.777 194 G HN 0.318 nan 8.290 nan 0.000 0.539 195 S N -0.532 115.143 115.700 -0.041 0.000 2.399 195 S HA -0.078 4.392 4.470 -0.000 0.000 0.231 195 S C 2.500 177.056 174.600 -0.074 0.000 1.022 195 S CA 1.224 59.428 58.200 0.006 0.000 0.983 195 S CB -0.204 63.170 63.200 0.289 0.000 0.803 195 S HN 0.129 nan 8.310 nan 0.000 0.480 196 V N 0.020 119.865 119.914 -0.115 0.000 2.261 196 V HA -0.172 3.948 4.120 -0.000 0.000 0.246 196 V C 1.913 177.748 176.094 -0.431 0.000 1.047 196 V CA 1.919 64.040 62.300 -0.297 0.000 1.015 196 V CB -0.770 30.783 31.823 -0.450 0.000 0.642 196 V HN 0.672 nan 8.190 nan 0.000 0.446 197 W N -0.520 120.706 121.300 -0.123 0.000 2.402 197 W HA -0.125 4.535 4.660 0.000 0.000 0.286 197 W C 2.649 179.062 176.519 -0.178 0.000 1.221 197 W CA 1.058 58.315 57.345 -0.148 0.000 1.257 197 W CB -0.292 29.077 29.460 -0.152 0.000 1.120 197 W HN 0.174 nan 8.180 nan 0.000 0.551 198 Q N 1.431 121.181 119.800 -0.084 0.000 2.084 198 Q HA -0.202 4.138 4.340 -0.000 0.000 0.202 198 Q C 1.962 177.902 176.000 -0.101 0.000 0.978 198 Q CA 1.697 57.408 55.803 -0.153 0.000 0.844 198 Q CB -0.332 28.219 28.738 -0.311 0.000 0.898 198 Q HN 0.314 nan 8.270 nan 0.000 0.426 199 R N -0.212 120.221 120.500 -0.111 0.000 2.152 199 R HA 0.008 4.348 4.340 -0.000 0.000 0.232 199 R C 2.179 178.497 176.300 0.029 0.000 1.117 199 R CA 0.851 56.897 56.100 -0.089 0.000 0.981 199 R CB -0.098 30.169 30.300 -0.055 0.000 0.870 199 R HN 0.264 nan 8.270 nan 0.000 0.451 200 L N -0.585 120.615 121.223 -0.038 0.000 2.612 200 L HA 0.196 4.536 4.340 -0.000 0.000 0.230 200 L C 0.962 177.825 176.870 -0.011 0.000 1.140 200 L CA 0.448 55.234 54.840 -0.089 0.000 0.896 200 L CB 0.314 42.251 42.059 -0.203 0.000 1.065 200 L HN 0.513 nan 8.230 nan 0.000 0.447 201 G N -0.346 108.470 108.800 0.027 0.000 2.192 201 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.193 201 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.193 201 G C 0.302 175.210 174.900 0.015 0.000 0.999 201 G CA -0.150 44.963 45.100 0.022 0.000 0.659 201 G HN 0.416 nan 8.290 nan 0.000 0.503 202 A N 0.261 123.098 122.820 0.029 0.000 2.316 202 A HA 0.578 4.898 4.320 -0.000 0.000 0.284 202 A C 0.009 177.562 177.584 -0.051 0.000 1.115 202 A CA 0.238 52.272 52.037 -0.006 0.000 0.812 202 A CB 0.646 19.660 19.000 0.024 0.000 1.064 202 A HN 0.315 nan 8.150 nan 0.000 0.489 203 D N 1.978 122.340 120.400 -0.063 0.000 2.347 203 D HA 0.410 5.050 4.640 -0.000 0.000 0.235 203 D C -0.983 175.252 176.300 -0.109 0.000 1.149 203 D CA 0.132 54.089 54.000 -0.072 0.000 0.850 203 D CB 0.921 41.690 40.800 -0.050 0.000 1.061 203 D HN 0.125 nan 8.370 nan 0.000 0.487 204 V N 3.350 123.165 119.914 -0.164 0.000 2.604 204 V HA 0.502 4.622 4.120 -0.000 0.000 0.305 204 V C 0.188 176.181 176.094 -0.168 0.000 1.043 204 V CA -0.637 61.525 62.300 -0.230 0.000 0.888 204 V CB 2.141 33.675 31.823 -0.481 0.000 0.995 204 V HN 0.565 nan 8.190 nan 0.000 0.429 205 T N 3.136 117.631 114.554 -0.099 0.000 2.921 205 T HA 0.741 5.091 4.350 -0.000 0.000 0.297 205 T C -0.372 174.326 174.700 -0.003 0.000 1.013 205 T CA -0.378 61.693 62.100 -0.049 0.000 0.990 205 T CB 1.766 70.615 68.868 -0.033 0.000 1.023 205 T HN 0.979 nan 8.240 nan 0.000 0.447 206 A N 2.657 125.471 122.820 -0.010 0.000 2.318 206 A HA 0.799 5.119 4.320 -0.000 0.000 0.324 206 A C -0.398 177.253 177.584 0.112 0.000 1.170 206 A CA -0.655 51.434 52.037 0.086 0.000 0.810 206 A CB 0.807 19.910 19.000 0.172 0.000 1.198 206 A HN 0.693 nan 8.150 nan 0.000 0.484 207 V N 2.026 122.012 119.914 0.120 0.000 2.427 207 V HA 0.578 4.698 4.120 -0.000 0.000 0.286 207 V C -0.219 175.969 176.094 0.158 0.000 1.034 207 V CA -0.408 61.968 62.300 0.127 0.000 0.893 207 V CB 1.240 33.124 31.823 0.101 0.000 0.982 207 V HN 0.970 nan 8.190 nan 0.000 0.452 208 E N 2.715 123.009 120.200 0.157 0.000 2.246 208 E HA 0.374 4.724 4.350 -0.000 0.000 0.266 208 E C -0.030 176.667 176.600 0.162 0.000 0.880 208 E CA -0.714 55.780 56.400 0.156 0.000 0.762 208 E CB 1.391 31.155 29.700 0.106 0.000 1.180 208 E HN 0.384 nan 8.360 nan 0.000 0.416 209 F N 4.367 124.344 119.950 0.045 0.000 2.091 209 F HA -0.039 4.488 4.527 -0.000 0.000 0.299 209 F C 0.436 176.251 175.800 0.024 0.000 1.103 209 F CA 1.504 59.527 58.000 0.039 0.000 1.228 209 F CB 0.073 39.097 39.000 0.040 0.000 0.984 209 F HN 0.481 nan 8.300 nan 0.000 0.477 210 L N -1.429 119.844 121.223 0.083 0.000 2.642 210 L HA 0.311 4.651 4.340 -0.000 0.000 0.229 210 L C 1.830 178.677 176.870 -0.038 0.000 1.179 210 L CA 0.014 54.847 54.840 -0.012 0.000 0.834 210 L CB -0.454 41.648 42.059 0.072 0.000 1.515 210 L HN 0.005 nan 8.230 nan 0.000 0.512 211 G N -1.633 107.180 108.800 0.022 0.000 3.141 211 G HA2 0.101 4.061 3.960 -0.000 0.000 0.218 211 G HA3 0.101 4.061 3.960 -0.000 0.000 0.218 211 G C 0.205 175.154 174.900 0.082 0.000 1.170 211 G CA 0.085 45.206 45.100 0.036 0.000 0.769 211 G HN 0.743 nan 8.290 nan 0.000 0.546 212 H N -2.642 116.401 119.070 -0.045 0.000 2.990 212 H HA 0.557 5.113 4.556 -0.000 0.000 0.336 212 H C -1.878 173.403 175.328 -0.078 0.000 1.306 212 H CA -0.886 55.114 56.048 -0.081 0.000 1.118 212 H CB 1.148 30.867 29.762 -0.073 0.000 1.856 212 H HN -0.169 nan 8.280 nan 0.000 0.538 213 V N 0.176 119.984 119.914 -0.176 0.000 2.547 213 V HA 0.520 4.640 4.120 -0.000 0.000 0.299 213 V C 1.164 177.294 176.094 0.060 0.000 1.040 213 V CA 0.671 62.853 62.300 -0.196 0.000 0.913 213 V CB 0.874 32.427 31.823 -0.450 0.000 0.992 213 V HN 1.232 nan 8.190 nan 0.000 0.449 214 G N 2.442 111.306 108.800 0.107 0.000 2.316 214 G HA2 0.302 4.262 3.960 -0.000 0.000 0.203 214 G HA3 0.302 4.262 3.960 -0.000 0.000 0.203 214 G C 0.730 175.789 174.900 0.265 0.000 0.999 214 G CA 0.076 45.325 45.100 0.249 0.000 0.649 214 G HN 2.282 nan 8.290 nan 0.000 0.489 215 G N -1.548 107.368 108.800 0.195 0.000 2.631 215 G HA2 0.360 4.320 3.960 -0.000 0.000 0.504 215 G HA3 0.360 4.320 3.960 -0.000 0.000 0.504 215 G C 0.291 175.397 174.900 0.343 0.000 1.306 215 G CA 0.439 45.681 45.100 0.237 0.000 0.897 215 G HN 1.911 nan 8.290 nan 0.000 0.520 216 V N -1.111 118.961 119.914 0.263 0.000 2.881 216 V HA 0.713 4.833 4.120 -0.000 0.000 0.303 216 V C 1.941 178.160 176.094 0.209 0.000 1.070 216 V CA 1.076 63.505 62.300 0.216 0.000 1.074 216 V CB 0.590 32.510 31.823 0.161 0.000 1.012 216 V HN 3.061 nan 8.190 nan 0.000 0.482 217 G N 2.423 111.283 108.800 0.101 0.000 2.347 217 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.247 217 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.247 217 G C 0.293 175.091 174.900 -0.170 0.000 1.037 217 G CA 0.447 45.598 45.100 0.085 0.000 0.622 217 G HN 1.265 nan 8.290 nan 0.000 0.521 218 I N 2.049 122.421 120.570 -0.330 0.000 2.752 218 I HA 0.326 4.496 4.170 -0.000 0.000 0.287 218 I C 0.582 176.303 176.117 -0.660 0.000 1.188 218 I CA 0.064 60.782 61.300 -0.969 0.000 1.427 218 I CB 0.506 38.075 38.000 -0.717 0.000 1.365 218 I HN 0.307 nan 8.210 nan 0.000 0.585 219 D N 6.174 126.131 120.400 -0.738 0.000 2.390 219 D HA 0.017 4.657 4.640 -0.000 0.000 0.249 219 D C 1.064 177.119 176.300 -0.408 0.000 1.144 219 D CA -0.295 53.363 54.000 -0.570 0.000 0.880 219 D CB 0.966 41.297 40.800 -0.782 0.000 1.182 219 D HN 0.429 nan 8.370 nan 0.000 0.451 220 M N 2.362 121.761 119.600 -0.334 0.000 2.108 220 M HA -0.145 4.335 4.480 -0.000 0.000 0.261 220 M C 1.801 177.996 176.300 -0.176 0.000 1.066 220 M CA 1.543 56.691 55.300 -0.254 0.000 1.107 220 M CB -1.042 31.434 32.600 -0.207 0.000 1.356 220 M HN 0.708 nan 8.290 nan 0.000 0.406 221 E N 0.176 120.274 120.200 -0.170 0.000 2.077 221 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 221 E C 1.974 178.519 176.600 -0.093 0.000 0.989 221 E CA 0.892 57.226 56.400 -0.111 0.000 0.800 221 E CB 0.200 29.843 29.700 -0.096 0.000 0.746 221 E HN 0.310 nan 8.360 nan 0.000 0.452 222 I N 0.852 121.338 120.570 -0.141 0.000 2.252 222 I HA -0.220 3.950 4.170 -0.000 0.000 0.245 222 I C 2.654 178.749 176.117 -0.036 0.000 1.102 222 I CA 1.070 62.316 61.300 -0.091 0.000 1.385 222 I CB -1.324 36.586 38.000 -0.149 0.000 1.064 222 I HN 0.175 nan 8.210 nan 0.000 0.414 223 S N 0.766 116.416 115.700 -0.083 0.000 2.370 223 S HA -0.183 4.287 4.470 -0.000 0.000 0.226 223 S C 2.028 176.648 174.600 0.034 0.000 1.033 223 S CA 1.274 59.484 58.200 0.016 0.000 1.011 223 S CB 0.003 63.191 63.200 -0.020 0.000 0.852 223 S HN 0.278 nan 8.310 nan 0.000 0.457 224 K N 1.287 121.673 120.400 -0.022 0.000 2.057 224 K HA 0.057 4.377 4.320 -0.000 0.000 0.206 224 K C 1.832 178.422 176.600 -0.017 0.000 1.050 224 K CA 1.074 57.338 56.287 -0.038 0.000 0.935 224 K CB -0.736 31.738 32.500 -0.043 0.000 0.715 224 K HN 0.407 nan 8.250 nan 0.000 0.439 225 N N 0.662 119.375 118.700 0.021 0.000 2.331 225 N HA -0.120 4.620 4.740 -0.000 0.000 0.180 225 N C 1.543 177.119 175.510 0.110 0.000 1.019 225 N CA 0.572 53.651 53.050 0.050 0.000 0.881 225 N CB -0.323 38.197 38.487 0.054 0.000 0.972 225 N HN 0.113 nan 8.380 nan 0.000 0.435 226 F N 2.031 121.951 119.950 -0.051 0.000 2.128 226 F HA -0.035 4.492 4.527 -0.000 0.000 0.295 226 F C 2.422 178.176 175.800 -0.078 0.000 1.100 226 F CA 1.245 59.221 58.000 -0.041 0.000 1.260 226 F CB -0.574 38.404 39.000 -0.037 0.000 1.009 226 F HN 0.019 nan 8.300 nan 0.000 0.476 227 Q N 0.323 119.969 119.800 -0.256 0.000 2.096 227 Q HA -0.238 4.102 4.340 -0.000 0.000 0.204 227 Q C 2.374 178.223 176.000 -0.253 0.000 0.982 227 Q CA 1.966 57.466 55.803 -0.504 0.000 0.850 227 Q CB -0.114 28.331 28.738 -0.487 0.000 0.901 227 Q HN 0.432 nan 8.270 nan 0.000 0.422 228 R N -0.186 120.246 120.500 -0.114 0.000 2.081 228 R HA -0.081 4.259 4.340 -0.000 0.000 0.235 228 R C 2.329 178.629 176.300 0.001 0.000 1.131 228 R CA 1.501 57.582 56.100 -0.033 0.000 0.960 228 R CB -0.237 30.060 30.300 -0.005 0.000 0.856 228 R HN 0.325 nan 8.270 nan 0.000 0.436 229 I N 0.711 121.287 120.570 0.010 0.000 2.315 229 I HA -0.263 3.907 4.170 -0.000 0.000 0.248 229 I C 2.097 178.239 176.117 0.041 0.000 1.117 229 I CA 1.152 62.484 61.300 0.054 0.000 1.404 229 I CB -0.182 37.884 38.000 0.109 0.000 1.071 229 I HN 0.148 nan 8.210 nan 0.000 0.419 230 L N -0.096 121.091 121.223 -0.060 0.000 2.056 230 L HA -0.228 4.112 4.340 -0.000 0.000 0.207 230 L C 2.596 179.545 176.870 0.132 0.000 1.078 230 L CA 1.440 56.275 54.840 -0.008 0.000 0.749 230 L CB -0.538 41.384 42.059 -0.228 0.000 0.901 230 L HN 0.303 nan 8.230 nan 0.000 0.433 231 Q N -0.166 119.704 119.800 0.117 0.000 2.119 231 Q HA -0.197 4.143 4.340 -0.000 0.000 0.201 231 Q C 2.173 178.238 176.000 0.108 0.000 0.972 231 Q CA 1.241 57.132 55.803 0.147 0.000 0.847 231 Q CB 0.052 28.867 28.738 0.127 0.000 0.903 231 Q HN 0.375 nan 8.270 nan 0.000 0.433 232 K N 0.400 120.852 120.400 0.087 0.000 2.209 232 K HA -0.165 4.155 4.320 -0.000 0.000 0.204 232 K C 1.868 178.523 176.600 0.093 0.000 1.048 232 K CA 0.947 57.283 56.287 0.082 0.000 0.940 232 K CB 0.071 32.617 32.500 0.077 0.000 0.729 232 K HN 0.261 nan 8.250 nan 0.000 0.451 233 Q N -1.105 118.761 119.800 0.110 0.000 2.378 233 Q HA -0.033 4.307 4.340 -0.000 0.000 0.205 233 Q C 0.912 176.956 176.000 0.074 0.000 0.954 233 Q CA 0.850 56.716 55.803 0.104 0.000 0.901 233 Q CB 0.572 29.389 28.738 0.132 0.000 0.981 233 Q HN 0.543 nan 8.270 nan 0.000 0.483 234 G N -0.178 108.680 108.800 0.097 0.000 2.205 234 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.180 234 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.180 234 G C -0.421 174.537 174.900 0.097 0.000 1.004 234 G CA -0.553 44.588 45.100 0.068 0.000 0.670 234 G HN 0.251 nan 8.290 nan 0.000 0.496 235 F N 3.217 123.134 119.950 -0.056 0.000 2.424 235 F HA 0.658 5.185 4.527 -0.000 0.000 0.356 235 F C 0.582 176.229 175.800 -0.253 0.000 1.110 235 F CA -1.099 56.801 58.000 -0.166 0.000 1.161 235 F CB 0.651 39.579 39.000 -0.120 0.000 1.115 235 F HN 0.012 nan 8.300 nan 0.000 0.507 236 K N 5.717 126.168 120.400 0.084 0.000 2.123 236 K HA 0.595 4.915 4.320 -0.000 0.000 0.259 236 K C -1.497 174.830 176.600 -0.455 0.000 0.960 236 K CA -0.543 55.685 56.287 -0.097 0.000 0.872 236 K CB 1.670 34.165 32.500 -0.008 0.000 1.079 236 K HN 0.376 nan 8.250 nan 0.000 0.440 237 F N 0.773 120.741 119.950 0.029 0.000 2.565 237 F HA 0.391 4.918 4.527 -0.000 0.000 0.313 237 F C -0.154 175.648 175.800 0.004 0.000 1.091 237 F CA -0.912 57.084 58.000 -0.008 0.000 0.915 237 F CB 1.967 40.909 39.000 -0.097 0.000 1.208 237 F HN 0.121 nan 8.300 nan 0.000 0.453 238 K N 4.147 124.664 120.400 0.194 0.000 2.530 238 K HA 0.515 4.835 4.320 -0.000 0.000 0.230 238 K C -1.112 175.556 176.600 0.113 0.000 1.002 238 K CA -0.275 56.083 56.287 0.119 0.000 1.014 238 K CB 1.089 33.638 32.500 0.081 0.000 1.286 238 K HN 0.510 nan 8.250 nan 0.000 0.480 239 L N 1.829 123.102 121.223 0.084 0.000 2.439 239 L HA 0.290 4.630 4.340 -0.000 0.000 0.259 239 L C 0.580 177.450 176.870 0.001 0.000 1.129 239 L CA -0.773 54.090 54.840 0.039 0.000 0.803 239 L CB 0.453 42.513 42.059 0.003 0.000 1.161 239 L HN 0.691 nan 8.230 nan 0.000 0.462 240 N N -0.220 118.453 118.700 -0.045 0.000 2.735 240 N HA -0.150 4.590 4.740 -0.000 0.000 0.248 240 N C -0.625 174.834 175.510 -0.086 0.000 1.083 240 N CA 0.841 53.819 53.050 -0.119 0.000 0.703 240 N CB -1.524 36.908 38.487 -0.091 0.000 1.005 240 N HN 0.718 nan 8.380 nan 0.000 0.550 241 T N 0.494 115.038 114.554 -0.017 0.000 2.928 241 T HA 0.400 4.750 4.350 -0.000 0.000 0.296 241 T C 0.135 174.925 174.700 0.151 0.000 1.000 241 T CA -0.950 61.179 62.100 0.049 0.000 0.989 241 T CB 2.323 71.229 68.868 0.063 0.000 1.005 241 T HN 0.279 nan 8.240 nan 0.000 0.442 242 K N 1.558 122.083 120.400 0.208 0.000 2.182 242 K HA 0.766 5.086 4.320 -0.000 0.000 0.262 242 K C -0.718 176.021 176.600 0.231 0.000 0.957 242 K CA -0.850 55.636 56.287 0.332 0.000 0.842 242 K CB 1.317 34.110 32.500 0.488 0.000 1.099 242 K HN 0.236 nan 8.250 nan 0.000 0.438 243 V N 3.158 123.220 119.914 0.247 0.000 2.583 243 V HA 0.070 4.190 4.120 -0.000 0.000 0.287 243 V C 0.462 176.737 176.094 0.301 0.000 1.051 243 V CA -0.087 62.327 62.300 0.191 0.000 1.010 243 V CB 1.334 33.223 31.823 0.109 0.000 0.988 243 V HN 1.089 nan 8.190 nan 0.000 0.478 244 T N 2.187 116.866 114.554 0.208 0.000 2.978 244 T HA 0.432 4.782 4.350 -0.000 0.000 0.248 244 T C 0.474 175.309 174.700 0.226 0.000 1.018 244 T CA 0.642 62.889 62.100 0.245 0.000 1.026 244 T CB 0.782 69.736 68.868 0.142 0.000 1.032 244 T HN 0.958 nan 8.240 nan 0.000 0.485 245 G N 0.185 109.024 108.800 0.065 0.000 2.441 245 G HA2 0.657 4.617 3.960 -0.000 0.000 0.294 245 G HA3 0.657 4.617 3.960 -0.000 0.000 0.294 245 G C -2.192 172.653 174.900 -0.091 0.000 1.393 245 G CA -0.070 45.026 45.100 -0.007 0.000 0.796 245 G HN 0.380 nan 8.290 nan 0.000 0.494 246 A N -0.877 121.888 122.820 -0.093 0.000 2.594 246 A HA 0.961 5.281 4.320 -0.000 0.000 0.295 246 A C -0.692 176.856 177.584 -0.059 0.000 1.071 246 A CA -0.360 51.621 52.037 -0.094 0.000 0.685 246 A CB 1.858 20.770 19.000 -0.146 0.000 1.285 246 A HN 1.413 nan 8.150 nan 0.000 0.405 247 T N 1.651 116.176 114.554 -0.049 0.000 3.032 247 T HA 0.386 4.736 4.350 -0.000 0.000 0.312 247 T C -0.788 173.890 174.700 -0.037 0.000 1.078 247 T CA -0.703 61.376 62.100 -0.035 0.000 1.028 247 T CB 1.450 70.304 68.868 -0.022 0.000 1.091 247 T HN 0.640 nan 8.240 nan 0.000 0.457 248 K N 2.115 122.494 120.400 -0.035 0.000 2.154 248 K HA 0.538 4.858 4.320 -0.000 0.000 0.264 248 K C -0.183 176.400 176.600 -0.029 0.000 1.008 248 K CA -0.667 55.599 56.287 -0.036 0.000 0.937 248 K CB 1.030 33.509 32.500 -0.035 0.000 1.002 248 K HN 0.411 nan 8.250 nan 0.000 0.469 249 K N -0.049 120.334 120.400 -0.030 0.000 2.340 249 K HA 0.110 4.430 4.320 -0.000 0.000 0.244 249 K C 0.982 177.567 176.600 -0.024 0.000 0.973 249 K CA -0.526 55.746 56.287 -0.024 0.000 0.828 249 K CB 1.722 34.208 32.500 -0.024 0.000 1.226 249 K HN 0.636 nan 8.250 nan 0.000 0.437 250 S N 0.074 115.762 115.700 -0.020 0.000 2.440 250 S HA -0.190 4.280 4.470 -0.000 0.000 0.240 250 S C 1.049 175.636 174.600 -0.022 0.000 1.014 250 S CA 1.827 60.015 58.200 -0.019 0.000 0.980 250 S CB -0.504 62.686 63.200 -0.016 0.000 0.775 250 S HN 0.757 nan 8.310 nan 0.000 0.499 251 D N 0.189 120.575 120.400 -0.023 0.000 2.340 251 D HA 0.266 4.906 4.640 -0.000 0.000 0.220 251 D C 1.448 177.729 176.300 -0.031 0.000 1.039 251 D CA 0.567 54.552 54.000 -0.025 0.000 0.866 251 D CB -0.780 40.006 40.800 -0.024 0.000 0.913 251 D HN 0.611 nan 8.370 nan 0.000 0.523 252 G N -0.177 108.602 108.800 -0.034 0.000 2.176 252 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.253 252 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.253 252 G C 0.377 175.248 174.900 -0.048 0.000 0.979 252 G CA 0.178 45.253 45.100 -0.041 0.000 0.641 252 G HN 0.345 nan 8.290 nan 0.000 0.530 253 K N -0.083 120.290 120.400 -0.044 0.000 2.098 253 K HA 0.750 5.070 4.320 -0.000 0.000 0.244 253 K C 0.358 176.928 176.600 -0.049 0.000 1.014 253 K CA -0.418 55.840 56.287 -0.048 0.000 0.917 253 K CB 1.138 33.613 32.500 -0.041 0.000 1.072 253 K HN 0.306 nan 8.250 nan 0.000 0.477 254 I N 1.238 121.776 120.570 -0.054 0.000 2.499 254 I HA 0.127 4.297 4.170 -0.000 0.000 0.288 254 I C -0.900 175.186 176.117 -0.051 0.000 1.048 254 I CA -0.817 60.450 61.300 -0.056 0.000 1.062 254 I CB 2.117 40.075 38.000 -0.070 0.000 1.238 254 I HN 0.297 nan 8.210 nan 0.000 0.426 255 D N 5.505 125.878 120.400 -0.044 0.000 2.274 255 D HA 0.393 5.033 4.640 -0.000 0.000 0.239 255 D C -0.631 175.644 176.300 -0.043 0.000 1.104 255 D CA 0.013 53.992 54.000 -0.036 0.000 0.840 255 D CB 2.046 42.830 40.800 -0.026 0.000 1.100 255 D HN 0.025 nan 8.370 nan 0.000 0.477 256 V N 2.407 122.297 119.914 -0.041 0.000 2.370 256 V HA 0.294 4.414 4.120 -0.000 0.000 0.283 256 V C 0.232 176.314 176.094 -0.020 0.000 1.023 256 V CA -0.776 61.496 62.300 -0.048 0.000 0.857 256 V CB 1.567 33.357 31.823 -0.055 0.000 0.985 256 V HN 0.453 nan 8.190 nan 0.000 0.443 257 S N 6.612 122.305 115.700 -0.012 0.000 2.474 257 S HA 0.641 5.111 4.470 -0.000 0.000 0.276 257 S C -0.064 174.559 174.600 0.038 0.000 1.227 257 S CA -0.281 57.929 58.200 0.016 0.000 1.050 257 S CB 0.154 63.371 63.200 0.028 0.000 0.939 257 S HN 0.683 nan 8.310 nan 0.000 0.490 258 I N 0.364 120.960 120.570 0.043 0.000 3.239 258 I HA 0.912 5.082 4.170 -0.000 0.000 0.314 258 I C -0.816 175.338 176.117 0.062 0.000 1.126 258 I CA -1.197 60.141 61.300 0.064 0.000 0.973 258 I CB 2.434 40.467 38.000 0.055 0.000 1.252 258 I HN 0.660 nan 8.210 nan 0.000 0.463 259 E N 1.730 121.973 120.200 0.072 0.000 2.403 259 E HA 0.588 4.938 4.350 -0.000 0.000 0.280 259 E C -1.454 175.180 176.600 0.056 0.000 1.101 259 E CA -1.225 55.210 56.400 0.059 0.000 0.856 259 E CB 1.123 30.860 29.700 0.061 0.000 1.303 259 E HN 0.943 nan 8.360 nan 0.000 0.441 260 A N 0.789 123.627 122.820 0.030 0.000 2.520 260 A HA 0.446 4.766 4.320 -0.000 0.000 0.235 260 A C 1.349 178.924 177.584 -0.015 0.000 1.065 260 A CA 0.550 52.587 52.037 -0.001 0.000 0.764 260 A CB 0.217 19.209 19.000 -0.013 0.000 1.002 260 A HN 0.943 nan 8.150 nan 0.000 0.502 261 A N 1.549 124.301 122.820 -0.114 0.000 1.883 261 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 261 A C 2.309 179.804 177.584 -0.147 0.000 1.186 261 A CA 2.490 54.354 52.037 -0.288 0.000 0.624 261 A CB -1.164 17.402 19.000 -0.723 0.000 0.822 261 A HN 1.716 nan 8.150 nan 0.000 0.444 262 S N -1.589 114.043 115.700 -0.114 0.000 2.555 262 S HA 0.406 4.876 4.470 -0.000 0.000 0.230 262 S C 0.988 175.591 174.600 0.004 0.000 0.978 262 S CA 0.698 58.871 58.200 -0.046 0.000 0.934 262 S CB -0.773 62.398 63.200 -0.048 0.000 0.766 262 S HN 2.080 nan 8.310 nan 0.000 0.533 263 G N -0.721 108.088 108.800 0.016 0.000 2.640 263 G HA2 0.490 4.450 3.960 -0.000 0.000 0.686 263 G HA3 0.490 4.450 3.960 -0.000 0.000 0.686 263 G C 0.065 174.979 174.900 0.023 0.000 1.229 263 G CA -0.559 44.561 45.100 0.033 0.000 0.796 263 G HN 1.745 nan 8.290 nan 0.000 0.654 264 G N 0.705 109.523 108.800 0.030 0.000 2.725 264 G HA2 0.336 4.296 3.960 -0.000 0.000 0.220 264 G HA3 0.336 4.296 3.960 -0.000 0.000 0.220 264 G C 0.505 175.418 174.900 0.023 0.000 1.357 264 G CA 1.011 46.125 45.100 0.024 0.000 0.866 264 G HN 2.436 nan 8.290 nan 0.000 0.548 265 K N -2.039 118.372 120.400 0.019 0.000 3.162 265 K HA 0.015 4.335 4.320 -0.000 0.000 0.268 265 K C 0.607 177.221 176.600 0.023 0.000 1.062 265 K CA 1.333 57.630 56.287 0.018 0.000 0.769 265 K CB -1.583 30.925 32.500 0.014 0.000 1.274 265 K HN 2.338 nan 8.250 nan 0.000 0.478 266 A N 1.961 124.796 122.820 0.025 0.000 2.484 266 A HA 0.249 4.569 4.320 -0.000 0.000 0.268 266 A C 0.069 177.667 177.584 0.023 0.000 1.114 266 A CA 0.309 52.363 52.037 0.029 0.000 0.780 266 A CB 0.188 19.205 19.000 0.029 0.000 1.061 266 A HN 0.516 nan 8.150 nan 0.000 0.505 267 E N 0.865 121.079 120.200 0.025 0.000 2.404 267 E HA 0.719 5.069 4.350 -0.000 0.000 0.264 267 E C -1.350 175.260 176.600 0.016 0.000 0.946 267 E CA -1.000 55.411 56.400 0.018 0.000 0.806 267 E CB 2.109 31.819 29.700 0.018 0.000 1.334 267 E HN 0.350 nan 8.360 nan 0.000 0.429 268 V N 1.709 121.629 119.914 0.010 0.000 2.686 268 V HA 0.469 4.589 4.120 -0.000 0.000 0.306 268 V C -0.676 175.417 176.094 -0.001 0.000 1.065 268 V CA -0.722 61.580 62.300 0.004 0.000 0.894 268 V CB 1.515 33.338 31.823 0.000 0.000 1.004 268 V HN 0.531 nan 8.190 nan 0.000 0.424 269 I N 0.467 121.033 120.570 -0.007 0.000 2.608 269 I HA 0.780 4.950 4.170 -0.000 0.000 0.295 269 I C -0.379 175.724 176.117 -0.023 0.000 1.049 269 I CA -0.429 60.864 61.300 -0.012 0.000 1.063 269 I CB 2.480 40.475 38.000 -0.009 0.000 1.248 269 I HN 0.424 nan 8.210 nan 0.000 0.424 270 T N 4.144 118.683 114.554 -0.026 0.000 2.859 270 T HA 0.651 5.001 4.350 -0.000 0.000 0.281 270 T C -0.353 174.321 174.700 -0.043 0.000 1.005 270 T CA -0.345 61.735 62.100 -0.034 0.000 1.025 270 T CB 1.273 70.123 68.868 -0.030 0.000 0.977 270 T HN 0.932 nan 8.240 nan 0.000 0.458 271 C N 1.013 120.280 119.300 -0.054 0.000 3.323 271 C HA 0.645 5.105 4.460 -0.000 0.000 0.324 271 C C 0.671 175.615 174.990 -0.077 0.000 1.428 271 C CA -0.764 58.214 59.018 -0.068 0.000 1.368 271 C CB 0.728 28.422 27.740 -0.076 0.000 1.731 271 C HN 0.811 nan 8.230 nan 0.000 0.455 272 D N 0.131 120.475 120.400 -0.093 0.000 2.277 272 D HA 0.225 4.865 4.640 -0.000 0.000 0.209 272 D C 0.711 176.937 176.300 -0.123 0.000 0.970 272 D CA 1.380 55.318 54.000 -0.103 0.000 0.874 272 D CB 0.587 41.319 40.800 -0.113 0.000 0.982 272 D HN 0.839 nan 8.370 nan 0.000 0.504 273 V N -0.778 119.051 119.914 -0.142 0.000 2.841 273 V HA 0.606 4.726 4.120 -0.000 0.000 0.310 273 V C -1.742 174.272 176.094 -0.133 0.000 1.090 273 V CA -1.209 60.999 62.300 -0.154 0.000 0.930 273 V CB 2.363 34.053 31.823 -0.221 0.000 1.014 273 V HN -0.075 nan 8.190 nan 0.000 0.425 274 L N 5.284 126.436 121.223 -0.117 0.000 2.305 274 L HA 0.773 5.113 4.340 -0.000 0.000 0.284 274 L C -0.941 175.876 176.870 -0.089 0.000 1.013 274 L CA -0.590 54.189 54.840 -0.102 0.000 0.819 274 L CB 1.395 43.388 42.059 -0.110 0.000 1.227 274 L HN 0.920 nan 8.230 nan 0.000 0.417 275 L N 7.052 128.237 121.223 -0.063 0.000 2.276 275 L HA 0.533 4.873 4.340 -0.000 0.000 0.286 275 L C -1.024 175.845 176.870 -0.002 0.000 1.024 275 L CA -0.296 54.528 54.840 -0.027 0.000 0.826 275 L CB 1.368 43.427 42.059 0.000 0.000 1.211 275 L HN 0.373 nan 8.230 nan 0.000 0.422 276 V N 5.146 125.060 119.914 -0.000 0.000 2.389 276 V HA 0.207 4.327 4.120 -0.000 0.000 0.264 276 V C 0.369 176.508 176.094 0.074 0.000 1.049 276 V CA -0.215 62.104 62.300 0.032 0.000 0.932 276 V CB 0.647 32.489 31.823 0.030 0.000 1.011 276 V HN 0.931 nan 8.190 nan 0.000 0.475 277 C N 6.284 125.644 119.300 0.099 0.000 3.290 277 C HA 0.367 4.827 4.460 -0.000 0.000 0.206 277 C C 1.456 176.516 174.990 0.117 0.000 1.639 277 C CA -0.537 58.545 59.018 0.107 0.000 1.408 277 C CB -0.976 26.834 27.740 0.118 0.000 2.197 277 C HN 0.913 nan 8.230 nan 0.000 0.508 278 I N -0.372 120.271 120.570 0.123 0.000 3.749 278 I HA 0.514 4.684 4.170 -0.000 0.000 0.314 278 I C 0.847 177.008 176.117 0.073 0.000 1.267 278 I CA 0.588 61.953 61.300 0.109 0.000 1.169 278 I CB -0.468 37.609 38.000 0.128 0.000 1.009 278 I HN 0.433 nan 8.210 nan 0.000 0.444 279 G N 1.154 110.000 108.800 0.077 0.000 2.343 279 G HA2 0.103 4.063 3.960 -0.000 0.000 0.465 279 G HA3 0.103 4.063 3.960 -0.000 0.000 0.465 279 G C -1.180 173.755 174.900 0.059 0.000 1.282 279 G CA -1.114 44.024 45.100 0.063 0.000 0.996 279 G HN 0.342 nan 8.290 nan 0.000 0.521 280 R N -0.452 120.080 120.500 0.052 0.000 2.725 280 R HA 0.725 5.065 4.340 -0.000 0.000 0.277 280 R C 0.002 176.333 176.300 0.051 0.000 0.987 280 R CA -0.995 55.136 56.100 0.051 0.000 0.901 280 R CB 2.432 32.761 30.300 0.047 0.000 1.207 280 R HN 0.901 nan 8.270 nan 0.000 0.463 281 R N 0.700 121.237 120.500 0.063 0.000 2.837 281 R HA 0.584 4.924 4.340 -0.000 0.000 0.271 281 R C -2.825 173.533 176.300 0.096 0.000 0.993 281 R CA -2.242 53.898 56.100 0.067 0.000 0.931 281 R CB 1.635 31.974 30.300 0.064 0.000 1.206 281 R HN 0.269 nan 8.270 nan 0.000 0.474 282 P HA 0.001 nan 4.420 nan 0.000 0.268 282 P C -1.251 176.151 177.300 0.169 0.000 1.205 282 P CA 0.044 63.208 63.100 0.107 0.000 0.771 282 P CB 0.403 32.139 31.700 0.061 0.000 0.858 283 F N 3.423 123.386 119.950 0.021 0.000 2.402 283 F HA 0.400 4.927 4.527 -0.000 0.000 0.355 283 F C 0.341 176.160 175.800 0.031 0.000 1.123 283 F CA -0.125 57.892 58.000 0.028 0.000 1.021 283 F CB 1.300 40.316 39.000 0.026 0.000 1.160 283 F HN 0.308 nan 8.300 nan 0.000 0.451 284 T N 1.058 115.267 114.554 -0.575 0.000 3.399 284 T HA 0.253 4.603 4.350 -0.000 0.000 0.305 284 T C -0.002 174.401 174.700 -0.495 0.000 0.983 284 T CA -0.590 61.260 62.100 -0.415 0.000 0.967 284 T CB -0.414 68.356 68.868 -0.165 0.000 1.186 284 T HN 0.461 nan 8.240 nan 0.000 0.504 285 K N 3.181 123.033 120.400 -0.914 0.000 2.491 285 K HA 0.092 4.412 4.320 -0.000 0.000 0.279 285 K C 0.116 176.634 176.600 -0.137 0.000 1.026 285 K CA 0.023 56.038 56.287 -0.454 0.000 1.070 285 K CB 0.055 32.323 32.500 -0.387 0.000 0.887 285 K HN 0.261 nan 8.250 nan 0.000 0.481 286 N N 1.916 120.576 118.700 -0.067 0.000 2.708 286 N HA -0.250 4.490 4.740 -0.000 0.000 0.249 286 N C 0.372 175.924 175.510 0.070 0.000 1.097 286 N CA 0.523 53.571 53.050 -0.003 0.000 0.710 286 N CB -1.093 37.366 38.487 -0.047 0.000 1.032 286 N HN 0.598 nan 8.380 nan 0.000 0.551 287 L N -0.538 120.702 121.223 0.028 0.000 2.313 287 L HA 0.005 4.345 4.340 -0.000 0.000 0.214 287 L C 1.650 178.539 176.870 0.032 0.000 1.119 287 L CA 1.421 56.289 54.840 0.047 0.000 0.809 287 L CB -0.206 41.854 42.059 0.003 0.000 0.933 287 L HN 0.560 nan 8.230 nan 0.000 0.449 288 G N -1.110 107.696 108.800 0.009 0.000 2.138 288 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.193 288 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.193 288 G C 0.733 175.630 174.900 -0.005 0.000 0.998 288 G CA 0.181 45.283 45.100 0.003 0.000 0.668 288 G HN 0.237 nan 8.290 nan 0.000 0.516 289 L N -0.296 120.920 121.223 -0.013 0.000 2.083 289 L HA -0.042 4.298 4.340 -0.000 0.000 0.209 289 L C 2.662 179.522 176.870 -0.017 0.000 1.083 289 L CA 2.097 56.927 54.840 -0.016 0.000 0.752 289 L CB -0.356 41.689 42.059 -0.023 0.000 0.899 289 L HN 0.420 nan 8.230 nan 0.000 0.433 290 E N 1.250 121.439 120.200 -0.019 0.000 2.058 290 E HA -0.258 4.092 4.350 -0.000 0.000 0.194 290 E C 1.870 178.461 176.600 -0.014 0.000 0.997 290 E CA 1.835 58.225 56.400 -0.018 0.000 0.801 290 E CB 0.002 29.691 29.700 -0.019 0.000 0.746 290 E HN 0.451 nan 8.360 nan 0.000 0.450 291 E N -0.021 120.172 120.200 -0.012 0.000 2.204 291 E HA -0.050 4.300 4.350 -0.000 0.000 0.194 291 E C 1.986 178.580 176.600 -0.010 0.000 0.989 291 E CA 0.876 57.270 56.400 -0.010 0.000 0.824 291 E CB -0.143 29.552 29.700 -0.008 0.000 0.756 291 E HN 0.334 nan 8.360 nan 0.000 0.477 292 L N -0.806 120.411 121.223 -0.010 0.000 2.418 292 L HA 0.157 4.497 4.340 -0.000 0.000 0.218 292 L C 1.332 178.193 176.870 -0.015 0.000 1.125 292 L CA 0.536 55.369 54.840 -0.012 0.000 0.835 292 L CB -0.166 41.886 42.059 -0.011 0.000 0.953 292 L HN 0.383 nan 8.230 nan 0.000 0.454 293 G N 0.786 109.577 108.800 -0.015 0.000 2.132 293 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.228 293 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.228 293 G C 0.147 175.035 174.900 -0.019 0.000 1.000 293 G CA -0.371 44.720 45.100 -0.016 0.000 0.693 293 G HN 0.268 nan 8.290 nan 0.000 0.515 294 I N 1.808 122.367 120.570 -0.019 0.000 2.269 294 I HA 0.237 4.407 4.170 -0.000 0.000 0.293 294 I C 0.574 176.680 176.117 -0.018 0.000 1.106 294 I CA -0.348 60.940 61.300 -0.019 0.000 1.248 294 I CB 0.400 38.389 38.000 -0.018 0.000 1.444 294 I HN 0.171 nan 8.210 nan 0.000 0.497 295 E N 5.841 126.031 120.200 -0.017 0.000 2.354 295 E HA 0.364 4.714 4.350 -0.000 0.000 0.269 295 E C -0.410 176.181 176.600 -0.015 0.000 1.036 295 E CA -0.447 55.943 56.400 -0.016 0.000 0.876 295 E CB 1.296 30.987 29.700 -0.015 0.000 1.009 295 E HN 0.466 nan 8.360 nan 0.000 0.416 296 L N 2.089 123.303 121.223 -0.014 0.000 2.479 296 L HA 0.209 4.549 4.340 -0.000 0.000 0.249 296 L C 0.546 177.410 176.870 -0.010 0.000 1.178 296 L CA -0.665 54.168 54.840 -0.012 0.000 0.811 296 L CB 0.333 42.384 42.059 -0.014 0.000 1.187 296 L HN 0.649 nan 8.230 nan 0.000 0.480 297 D N -0.795 119.601 120.400 -0.007 0.000 2.529 297 D HA 0.262 4.902 4.640 -0.000 0.000 0.273 297 D C -2.130 174.167 176.300 -0.005 0.000 1.197 297 D CA -1.996 52.001 54.000 -0.006 0.000 1.070 297 D CB -0.019 40.778 40.800 -0.005 0.000 1.134 297 D HN 0.104 nan 8.370 nan 0.000 0.590 298 P HA -0.074 nan 4.420 nan 0.000 0.218 298 P C 1.052 178.350 177.300 -0.004 0.000 1.146 298 P CA 1.103 64.200 63.100 -0.005 0.000 0.813 298 P CB 0.201 31.899 31.700 -0.004 0.000 0.778 299 R N -1.929 118.570 120.500 -0.001 0.000 2.310 299 R HA 0.209 4.549 4.340 -0.000 0.000 0.202 299 R C 1.266 177.569 176.300 0.006 0.000 0.933 299 R CA 0.872 56.974 56.100 0.002 0.000 1.054 299 R CB -0.705 29.597 30.300 0.004 0.000 0.985 299 R HN 0.212 nan 8.270 nan 0.000 0.489 300 G N 1.844 110.645 108.800 0.002 0.000 2.137 300 G HA2 -0.307 3.652 3.960 -0.000 0.000 0.237 300 G HA3 -0.307 3.652 3.960 -0.000 0.000 0.237 300 G C -0.015 174.888 174.900 0.005 0.000 1.002 300 G CA 0.047 45.148 45.100 0.001 0.000 0.702 300 G HN 0.281 nan 8.290 nan 0.000 0.515 301 R N -0.748 119.755 120.500 0.006 0.000 2.573 301 R HA 0.677 5.017 4.340 -0.000 0.000 0.272 301 R C 0.530 176.835 176.300 0.009 0.000 1.009 301 R CA -0.849 55.258 56.100 0.012 0.000 1.059 301 R CB 1.088 31.395 30.300 0.012 0.000 1.112 301 R HN 0.242 nan 8.270 nan 0.000 0.517 302 I N 3.244 123.825 120.570 0.018 0.000 2.337 302 I HA 0.191 4.361 4.170 -0.000 0.000 0.291 302 I C -2.020 174.108 176.117 0.020 0.000 1.046 302 I CA -2.114 59.197 61.300 0.017 0.000 1.324 302 I CB 1.079 39.097 38.000 0.030 0.000 1.409 302 I HN 0.196 nan 8.210 nan 0.000 0.494 303 P HA 0.147 nan 4.420 nan 0.000 0.276 303 P C -0.790 176.503 177.300 -0.012 0.000 1.235 303 P CA -0.117 62.980 63.100 -0.006 0.000 0.772 303 P CB 0.879 32.570 31.700 -0.015 0.000 0.871 304 V N 0.248 120.148 119.914 -0.022 0.000 3.102 304 V HA 0.696 4.816 4.120 -0.000 0.000 0.312 304 V C -0.181 175.846 176.094 -0.113 0.000 1.135 304 V CA -1.085 61.186 62.300 -0.047 0.000 1.022 304 V CB 2.074 33.902 31.823 0.009 0.000 1.056 304 V HN 0.517 nan 8.190 nan 0.000 0.436 305 N N 0.023 118.641 118.700 -0.138 0.000 2.514 305 N HA 0.273 5.013 4.740 -0.000 0.000 0.299 305 N C 1.065 176.419 175.510 -0.260 0.000 1.292 305 N CA 0.234 53.192 53.050 -0.154 0.000 0.963 305 N CB -0.189 38.233 38.487 -0.108 0.000 1.124 305 N HN 0.933 nan 8.380 nan 0.000 0.580 306 T N -3.969 110.463 114.554 -0.204 0.000 3.113 306 T HA 0.091 4.441 4.350 -0.000 0.000 0.263 306 T C 1.029 175.583 174.700 -0.242 0.000 1.143 306 T CA 0.719 62.661 62.100 -0.262 0.000 1.090 306 T CB -0.134 68.642 68.868 -0.153 0.000 0.922 306 T HN 0.358 nan 8.240 nan 0.000 0.521 307 R N -0.540 119.896 120.500 -0.107 0.000 2.432 307 R HA 0.506 4.846 4.340 -0.000 0.000 0.260 307 R C -0.317 176.223 176.300 0.401 0.000 0.935 307 R CA -0.726 55.457 56.100 0.139 0.000 1.080 307 R CB -0.749 29.647 30.300 0.160 0.000 1.155 307 R HN 0.380 nan 8.270 nan 0.000 0.531 308 F N -0.711 119.320 119.950 0.136 0.000 3.018 308 F HA -0.297 4.230 4.527 -0.000 0.000 0.287 308 F C -0.271 175.612 175.800 0.139 0.000 0.813 308 F CA 0.510 58.610 58.000 0.167 0.000 1.209 308 F CB -1.884 37.233 39.000 0.195 0.000 1.321 308 F HN 0.131 nan 8.300 nan 0.000 0.477 309 Q N 0.413 120.210 119.800 -0.005 0.000 2.261 309 Q HA 0.485 4.825 4.340 -0.000 0.000 0.252 309 Q C 0.943 176.836 176.000 -0.178 0.000 0.915 309 Q CA 0.120 55.719 55.803 -0.340 0.000 0.915 309 Q CB 1.612 30.110 28.738 -0.400 0.000 1.204 309 Q HN 0.377 nan 8.270 nan 0.000 0.421 310 T N -1.153 113.293 114.554 -0.179 0.000 2.793 310 T HA 0.150 4.500 4.350 -0.000 0.000 0.299 310 T C 1.016 175.652 174.700 -0.107 0.000 1.038 310 T CA -0.529 61.513 62.100 -0.097 0.000 0.948 310 T CB 0.585 69.414 68.868 -0.064 0.000 1.231 310 T HN 0.526 nan 8.240 nan 0.000 0.538 311 K N -0.264 120.093 120.400 -0.073 0.000 2.113 311 K HA 0.006 4.326 4.320 -0.000 0.000 0.208 311 K C 0.610 177.164 176.600 -0.077 0.000 1.047 311 K CA 1.166 57.414 56.287 -0.065 0.000 0.928 311 K CB -0.521 31.951 32.500 -0.045 0.000 0.716 311 K HN 0.534 nan 8.250 nan 0.000 0.446 312 I N 2.585 123.104 120.570 -0.085 0.000 2.281 312 I HA 0.048 4.218 4.170 -0.000 0.000 0.293 312 I C -1.831 174.195 176.117 -0.151 0.000 1.085 312 I CA -2.098 59.149 61.300 -0.089 0.000 1.257 312 I CB 1.093 39.055 38.000 -0.063 0.000 1.430 312 I HN -0.121 nan 8.210 nan 0.000 0.489 313 P HA -0.223 nan 4.420 nan 0.000 0.218 313 P C 0.805 177.928 177.300 -0.294 0.000 1.147 313 P CA 1.370 64.344 63.100 -0.210 0.000 0.827 313 P CB -0.069 31.565 31.700 -0.110 0.000 0.778 314 N N -1.228 117.368 118.700 -0.172 0.000 2.230 314 N HA 0.029 4.769 4.740 -0.000 0.000 0.202 314 N C -0.009 175.493 175.510 -0.013 0.000 1.119 314 N CA 0.097 53.113 53.050 -0.056 0.000 0.851 314 N CB 0.133 38.631 38.487 0.017 0.000 0.990 314 N HN 0.170 nan 8.380 nan 0.000 0.497 315 I N 1.521 121.988 120.570 -0.171 0.000 2.389 315 I HA 0.331 4.501 4.170 -0.000 0.000 0.288 315 I C -1.003 175.037 176.117 -0.129 0.000 0.999 315 I CA -0.841 60.440 61.300 -0.032 0.000 1.129 315 I CB 0.944 38.928 38.000 -0.027 0.000 1.288 315 I HN -0.158 nan 8.210 nan 0.000 0.444 316 Y N 4.151 124.458 120.300 0.012 0.000 2.587 316 Y HA 0.818 5.368 4.550 0.000 0.000 0.337 316 Y C 0.181 176.111 175.900 0.051 0.000 1.065 316 Y CA -1.137 56.992 58.100 0.047 0.000 1.126 316 Y CB 1.904 40.395 38.460 0.051 0.000 1.279 316 Y HN 0.545 nan 8.280 nan 0.000 0.489 317 A N 1.734 124.714 122.820 0.268 0.000 2.455 317 A HA 0.870 5.190 4.320 -0.000 0.000 0.300 317 A C -1.324 176.389 177.584 0.215 0.000 1.040 317 A CA -0.548 51.597 52.037 0.181 0.000 0.697 317 A CB 0.870 19.947 19.000 0.129 0.000 1.265 317 A HN 0.758 nan 8.150 nan 0.000 0.407 318 I N -1.177 119.455 120.570 0.104 0.000 3.191 318 I HA 0.986 5.156 4.170 -0.000 0.000 0.313 318 I C 0.513 176.645 176.117 0.025 0.000 1.193 318 I CA -0.050 61.265 61.300 0.025 0.000 0.968 318 I CB 1.768 39.665 38.000 -0.171 0.000 1.262 318 I HN 2.108 nan 8.210 nan 0.000 0.456 319 G N 1.930 110.734 108.800 0.006 0.000 2.527 319 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.227 319 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.227 319 G C -0.023 174.892 174.900 0.025 0.000 1.291 319 G CA 0.476 45.581 45.100 0.008 0.000 0.904 319 G HN 0.835 nan 8.290 nan 0.000 0.577 320 D N 0.275 120.689 120.400 0.023 0.000 2.351 320 D HA -0.002 4.638 4.640 -0.000 0.000 0.216 320 D C 2.592 178.919 176.300 0.044 0.000 0.968 320 D CA 1.652 55.669 54.000 0.027 0.000 0.899 320 D CB -0.161 40.659 40.800 0.033 0.000 0.907 320 D HN 0.947 nan 8.370 nan 0.000 0.514 321 V N -1.798 118.150 119.914 0.057 0.000 3.541 321 V HA 0.071 4.191 4.120 -0.000 0.000 0.267 321 V C 0.962 177.088 176.094 0.054 0.000 1.213 321 V CA 0.060 62.397 62.300 0.060 0.000 1.149 321 V CB -0.923 30.939 31.823 0.065 0.000 0.822 321 V HN -0.011 nan 8.190 nan 0.000 0.462 322 V N -2.631 117.319 119.914 0.060 0.000 3.019 322 V HA 0.978 5.098 4.120 -0.000 0.000 0.317 322 V C 0.481 176.583 176.094 0.013 0.000 1.094 322 V CA -0.812 61.527 62.300 0.066 0.000 1.000 322 V CB 1.106 33.021 31.823 0.154 0.000 1.060 322 V HN 0.470 nan 8.190 nan 0.000 0.443 323 A N 0.886 123.698 122.820 -0.015 0.000 2.429 323 A HA 0.737 5.057 4.320 -0.000 0.000 0.242 323 A C 0.914 178.354 177.584 -0.239 0.000 1.088 323 A CA 0.672 52.655 52.037 -0.090 0.000 0.784 323 A CB -0.520 18.433 19.000 -0.078 0.000 1.038 323 A HN 2.977 nan 8.150 nan 0.000 0.501 324 G N -0.045 108.568 108.800 -0.310 0.000 2.479 324 G HA2 0.197 4.157 3.960 -0.000 0.000 0.686 324 G HA3 0.197 4.157 3.960 -0.000 0.000 0.686 324 G C -3.087 171.656 174.900 -0.262 0.000 1.295 324 G CA -0.415 44.349 45.100 -0.560 0.000 0.922 324 G HN 0.951 nan 8.290 nan 0.000 0.582 325 P HA 0.274 nan 4.420 nan 0.000 0.267 325 P C 0.206 177.460 177.300 -0.077 0.000 1.205 325 P CA 0.052 63.106 63.100 -0.076 0.000 0.765 325 P CB 0.438 32.123 31.700 -0.025 0.000 0.828 326 M N 3.931 123.505 119.600 -0.043 0.000 3.436 326 M HA 0.199 4.679 4.480 -0.000 0.000 0.240 326 M C -0.099 176.172 176.300 -0.049 0.000 1.469 326 M CA 0.379 55.659 55.300 -0.034 0.000 1.622 326 M CB -0.690 31.909 32.600 -0.001 0.000 1.098 326 M HN 0.217 nan 8.290 nan 0.000 0.568 327 L N -0.631 120.523 121.223 -0.116 0.000 2.301 327 L HA 0.663 5.003 4.340 -0.000 0.000 0.264 327 L C 1.103 177.862 176.870 -0.184 0.000 1.016 327 L CA -0.631 54.095 54.840 -0.190 0.000 0.821 327 L CB 1.704 43.495 42.059 -0.446 0.000 1.346 327 L HN 0.467 nan 8.230 nan 0.000 0.429 328 A N -0.151 122.608 122.820 -0.101 0.000 1.897 328 A HA -0.150 4.170 4.320 -0.000 0.000 0.215 328 A C 1.947 179.520 177.584 -0.018 0.000 1.181 328 A CA 1.406 53.437 52.037 -0.010 0.000 0.620 328 A CB -0.790 18.257 19.000 0.078 0.000 0.821 328 A HN 0.928 nan 8.150 nan 0.000 0.443 329 H N -0.799 118.278 119.070 0.011 0.000 2.491 329 H HA 0.000 4.556 4.556 -0.000 0.000 0.290 329 H C 1.658 176.994 175.328 0.012 0.000 1.050 329 H CA 1.325 57.375 56.048 0.004 0.000 1.309 329 H CB -0.304 29.459 29.762 0.002 0.000 1.392 329 H HN 0.429 nan 8.280 nan 0.000 0.554 330 K N 1.741 121.976 120.400 -0.276 0.000 2.031 330 K HA 0.005 4.325 4.320 -0.000 0.000 0.205 330 K C 2.305 178.887 176.600 -0.031 0.000 1.049 330 K CA 1.139 57.371 56.287 -0.093 0.000 0.939 330 K CB -0.249 32.192 32.500 -0.100 0.000 0.717 330 K HN 0.287 nan 8.250 nan 0.000 0.438 331 A N 1.637 124.421 122.820 -0.060 0.000 1.902 331 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 331 A C 1.986 179.518 177.584 -0.087 0.000 1.181 331 A CA 1.630 53.632 52.037 -0.058 0.000 0.623 331 A CB -0.420 18.557 19.000 -0.039 0.000 0.818 331 A HN 0.499 nan 8.150 nan 0.000 0.443 332 E N -0.222 119.935 120.200 -0.072 0.000 2.031 332 E HA -0.214 4.136 4.350 -0.000 0.000 0.193 332 E C 1.650 178.188 176.600 -0.104 0.000 0.994 332 E CA 1.362 57.702 56.400 -0.100 0.000 0.800 332 E CB -0.290 29.369 29.700 -0.068 0.000 0.752 332 E HN 0.550 nan 8.360 nan 0.000 0.447 333 D N 0.687 121.051 120.400 -0.062 0.000 2.123 333 D HA -0.155 4.485 4.640 -0.000 0.000 0.196 333 D C 1.765 177.985 176.300 -0.134 0.000 0.992 333 D CA 1.106 55.070 54.000 -0.059 0.000 0.833 333 D CB -0.125 40.674 40.800 -0.002 0.000 0.954 333 D HN 0.225 nan 8.370 nan 0.000 0.455 334 E N -0.163 119.917 120.200 -0.200 0.000 2.110 334 E HA -0.088 4.262 4.350 -0.000 0.000 0.193 334 E C 2.215 178.506 176.600 -0.515 0.000 0.988 334 E CA 0.982 57.074 56.400 -0.513 0.000 0.804 334 E CB -0.221 29.143 29.700 -0.561 0.000 0.745 334 E HN 0.316 nan 8.360 nan 0.000 0.458 335 G N 1.272 109.888 108.800 -0.305 0.000 2.418 335 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.217 335 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.217 335 G C 1.600 176.378 174.900 -0.203 0.000 1.158 335 G CA 0.461 45.415 45.100 -0.243 0.000 0.771 335 G HN 0.110 nan 8.290 nan 0.000 0.545 336 I N 1.379 121.849 120.570 -0.168 0.000 2.286 336 I HA -0.080 4.090 4.170 -0.000 0.000 0.245 336 I C 2.715 178.774 176.117 -0.097 0.000 1.104 336 I CA 1.041 62.272 61.300 -0.114 0.000 1.397 336 I CB -0.164 37.785 38.000 -0.084 0.000 1.072 336 I HN 0.317 nan 8.210 nan 0.000 0.417 337 I N -1.758 118.743 120.570 -0.114 0.000 2.617 337 I HA -0.209 3.961 4.170 -0.000 0.000 0.256 337 I C 2.772 178.865 176.117 -0.039 0.000 1.167 337 I CA 0.911 62.181 61.300 -0.050 0.000 1.469 337 I CB -0.748 37.256 38.000 0.007 0.000 1.098 337 I HN 0.300 nan 8.210 nan 0.000 0.436 338 C N 1.436 120.643 119.300 -0.154 0.000 2.413 338 C HA -0.114 4.346 4.460 -0.000 0.000 0.277 338 C C 2.803 177.710 174.990 -0.137 0.000 1.228 338 C CA 1.345 60.301 59.018 -0.103 0.000 1.731 338 C CB -0.921 26.665 27.740 -0.257 0.000 2.042 338 C HN 0.497 nan 8.230 nan 0.000 0.468 339 V N 0.691 120.514 119.914 -0.152 0.000 2.626 339 V HA -0.151 3.969 4.120 -0.000 0.000 0.252 339 V C 2.447 178.571 176.094 0.048 0.000 1.067 339 V CA 2.216 64.462 62.300 -0.091 0.000 1.081 339 V CB -0.748 31.033 31.823 -0.070 0.000 0.686 339 V HN 0.615 nan 8.190 nan 0.000 0.468 340 E N 0.160 120.371 120.200 0.018 0.000 2.107 340 E HA -0.111 4.239 4.350 -0.000 0.000 0.191 340 E C 2.325 178.959 176.600 0.057 0.000 0.982 340 E CA 1.047 57.471 56.400 0.039 0.000 0.809 340 E CB -0.379 29.330 29.700 0.015 0.000 0.756 340 E HN 0.645 nan 8.360 nan 0.000 0.459 341 G N 1.065 109.895 108.800 0.051 0.000 2.422 341 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.218 341 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.218 341 G C 1.546 176.504 174.900 0.098 0.000 1.146 341 G CA 0.543 45.688 45.100 0.075 0.000 0.769 341 G HN 0.103 nan 8.290 nan 0.000 0.547 342 M N 0.819 120.456 119.600 0.062 0.000 2.202 342 M HA -0.013 4.467 4.480 -0.000 0.000 0.262 342 M C 2.572 179.044 176.300 0.286 0.000 1.063 342 M CA 1.298 56.646 55.300 0.081 0.000 1.097 342 M CB -0.039 32.455 32.600 -0.176 0.000 1.382 342 M HN 0.288 nan 8.290 nan 0.000 0.413 343 A N -0.455 122.533 122.820 0.280 0.000 2.302 343 A HA 0.442 4.762 4.320 -0.000 0.000 0.219 343 A C 1.591 179.222 177.584 0.079 0.000 1.243 343 A CA 0.628 52.765 52.037 0.166 0.000 0.856 343 A CB -0.789 18.205 19.000 -0.010 0.000 0.893 343 A HN 0.660 nan 8.150 nan 0.000 0.491 344 G N -1.663 107.193 108.800 0.093 0.000 2.199 344 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.254 344 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.254 344 G C 0.841 175.767 174.900 0.042 0.000 0.982 344 G CA 0.286 45.423 45.100 0.062 0.000 0.632 344 G HN 1.417 nan 8.290 nan 0.000 0.529 345 G N 0.222 109.045 108.800 0.038 0.000 2.634 345 G HA2 0.672 4.632 3.960 -0.000 0.000 0.255 345 G HA3 0.672 4.632 3.960 -0.000 0.000 0.255 345 G C 0.676 175.590 174.900 0.023 0.000 1.205 345 G CA 0.544 45.661 45.100 0.028 0.000 0.884 345 G HN 1.555 nan 8.290 nan 0.000 0.549 346 A N -1.034 121.800 122.820 0.023 0.000 2.425 346 A HA 0.504 4.824 4.320 -0.000 0.000 0.242 346 A C -0.121 177.427 177.584 -0.059 0.000 1.077 346 A CA -0.117 51.914 52.037 -0.010 0.000 0.781 346 A CB 0.585 19.633 19.000 0.079 0.000 1.020 346 A HN 1.005 nan 8.150 nan 0.000 0.494 347 V N 4.490 124.268 119.914 -0.226 0.000 2.409 347 V HA 0.448 4.568 4.120 -0.000 0.000 0.290 347 V C -0.696 175.140 176.094 -0.430 0.000 1.017 347 V CA -0.443 61.762 62.300 -0.158 0.000 0.841 347 V CB 0.898 32.727 31.823 0.009 0.000 1.003 347 V HN 0.934 nan 8.190 nan 0.000 0.426 348 H N 4.304 123.416 119.070 0.071 0.000 2.894 348 H HA 0.741 5.297 4.556 -0.000 0.000 0.367 348 H C -1.263 174.066 175.328 0.003 0.000 1.144 348 H CA -0.688 55.375 56.048 0.024 0.000 1.180 348 H CB 2.954 32.714 29.762 -0.003 0.000 1.758 348 H HN 0.643 nan 8.280 nan 0.000 0.541 349 I N 2.243 122.855 120.570 0.069 0.000 2.715 349 I HA 0.120 4.290 4.170 -0.000 0.000 0.288 349 I C -1.618 174.329 176.117 -0.283 0.000 1.371 349 I CA -0.219 61.021 61.300 -0.100 0.000 1.056 349 I CB 1.867 39.792 38.000 -0.125 0.000 1.339 349 I HN 0.446 nan 8.210 nan 0.000 0.425 350 D N 5.897 126.164 120.400 -0.223 0.000 2.427 350 D HA 0.277 4.917 4.640 -0.000 0.000 0.226 350 D C 0.273 176.464 176.300 -0.182 0.000 1.076 350 D CA -0.030 53.854 54.000 -0.192 0.000 0.849 350 D CB 0.679 41.441 40.800 -0.062 0.000 1.052 350 D HN 0.418 nan 8.370 nan 0.000 0.515 351 Y N 2.482 122.827 120.300 0.075 0.000 2.465 351 Y HA -0.132 4.418 4.550 -0.000 0.000 0.289 351 Y C 2.101 178.041 175.900 0.067 0.000 1.150 351 Y CA 0.869 59.010 58.100 0.070 0.000 1.293 351 Y CB -0.594 37.907 38.460 0.069 0.000 0.977 351 Y HN 0.458 nan 8.280 nan 0.000 0.556 352 N N -0.660 118.134 118.700 0.157 0.000 2.381 352 N HA -0.127 4.613 4.740 -0.000 0.000 0.182 352 N C 0.869 176.438 175.510 0.098 0.000 1.025 352 N CA 1.280 54.405 53.050 0.125 0.000 0.888 352 N CB -0.297 38.245 38.487 0.090 0.000 0.965 352 N HN 0.211 nan 8.380 nan 0.000 0.438 353 C N 0.133 119.477 119.300 0.072 0.000 2.780 353 C HA 0.401 4.861 4.460 -0.000 0.000 0.287 353 C C 0.194 175.222 174.990 0.064 0.000 1.288 353 C CA -0.771 58.280 59.018 0.055 0.000 1.713 353 C CB -1.037 26.723 27.740 0.034 0.000 1.955 353 C HN 0.074 nan 8.230 nan 0.000 0.613 354 V N 4.888 124.862 119.914 0.101 0.000 2.408 354 V HA 0.225 4.345 4.120 -0.000 0.000 0.267 354 V C -1.707 174.438 176.094 0.084 0.000 1.047 354 V CA -0.854 61.525 62.300 0.132 0.000 0.937 354 V CB 0.603 32.536 31.823 0.182 0.000 0.999 354 V HN 0.310 nan 8.190 nan 0.000 0.472 355 P HA 0.314 nan 4.420 nan 0.000 0.277 355 P C -0.575 176.663 177.300 -0.103 0.000 1.240 355 P CA -0.363 62.680 63.100 -0.094 0.000 0.798 355 P CB 1.243 32.847 31.700 -0.160 0.000 0.979 356 S N 0.277 115.671 115.700 -0.510 0.000 2.500 356 S HA 0.549 5.019 4.470 -0.000 0.000 0.301 356 S C -0.526 173.607 174.600 -0.779 0.000 1.092 356 S CA -0.547 57.236 58.200 -0.696 0.000 1.030 356 S CB 1.121 63.537 63.200 -1.308 0.000 1.031 356 S HN 0.224 nan 8.310 nan 0.000 0.483 357 V N 4.123 123.762 119.914 -0.457 0.000 2.789 357 V HA 0.562 4.682 4.120 -0.000 0.000 0.311 357 V C -0.879 175.028 176.094 -0.310 0.000 1.073 357 V CA -0.640 61.389 62.300 -0.451 0.000 0.921 357 V CB 1.924 33.433 31.823 -0.523 0.000 1.009 357 V HN 0.800 nan 8.190 nan 0.000 0.426 358 I N 3.849 124.224 120.570 -0.326 0.000 2.382 358 I HA 0.331 4.501 4.170 -0.000 0.000 0.285 358 I C -0.613 175.375 176.117 -0.215 0.000 1.007 358 I CA -0.477 60.755 61.300 -0.114 0.000 1.142 358 I CB 1.571 39.533 38.000 -0.063 0.000 1.289 358 I HN 0.637 nan 8.210 nan 0.000 0.453 359 Y N 4.019 124.331 120.300 0.020 0.000 2.581 359 Y HA 0.003 4.553 4.550 -0.000 0.000 0.346 359 Y C 1.810 177.744 175.900 0.057 0.000 1.147 359 Y CA -0.398 57.710 58.100 0.014 0.000 1.353 359 Y CB -0.749 37.716 38.460 0.008 0.000 1.187 359 Y HN 0.558 nan 8.280 nan 0.000 0.505 360 T N -3.023 111.642 114.554 0.185 0.000 2.801 360 T HA 0.167 4.517 4.350 -0.000 0.000 0.324 360 T C -0.533 174.261 174.700 0.157 0.000 1.088 360 T CA -0.470 61.779 62.100 0.249 0.000 0.975 360 T CB 0.810 69.936 68.868 0.430 0.000 1.316 360 T HN 0.366 nan 8.240 nan 0.000 0.533 361 H N 1.230 120.365 119.070 0.109 0.000 3.078 361 H HA 0.438 4.994 4.556 -0.000 0.000 0.319 361 H C -2.698 172.701 175.328 0.119 0.000 0.995 361 H CA -1.663 54.380 56.048 -0.007 0.000 1.417 361 H CB 1.317 30.963 29.762 -0.192 0.000 1.598 361 H HN 0.490 nan 8.280 nan 0.000 0.515 362 P HA 0.041 nan 4.420 nan 0.000 0.272 362 P C -0.479 176.746 177.300 -0.126 0.000 1.230 362 P CA -0.183 62.757 63.100 -0.266 0.000 0.788 362 P CB 1.734 33.361 31.700 -0.122 0.000 0.949 363 E N -0.166 119.877 120.200 -0.262 0.000 2.322 363 E HA 0.452 4.802 4.350 -0.000 0.000 0.257 363 E C -0.600 175.838 176.600 -0.271 0.000 1.155 363 E CA -0.975 55.277 56.400 -0.246 0.000 0.936 363 E CB 0.775 30.295 29.700 -0.301 0.000 1.130 363 E HN 0.183 nan 8.360 nan 0.000 0.465 364 V N 0.154 119.885 119.914 -0.305 0.000 2.733 364 V HA 0.683 4.803 4.120 -0.000 0.000 0.306 364 V C -0.872 175.159 176.094 -0.105 0.000 1.084 364 V CA -0.762 61.413 62.300 -0.210 0.000 0.905 364 V CB 1.502 33.087 31.823 -0.396 0.000 1.010 364 V HN 0.797 nan 8.190 nan 0.000 0.424 365 A N 3.990 126.826 122.820 0.027 0.000 2.572 365 A HA 1.060 5.380 4.320 -0.000 0.000 0.295 365 A C -1.770 175.913 177.584 0.165 0.000 1.072 365 A CA -0.613 51.368 52.037 -0.093 0.000 0.691 365 A CB 1.953 20.818 19.000 -0.226 0.000 1.291 365 A HN 1.831 nan 8.150 nan 0.000 0.404 366 W N -0.308 120.931 121.300 -0.102 0.000 3.153 366 W HA 0.692 5.352 4.660 -0.000 0.000 0.316 366 W C -2.084 174.354 176.519 -0.135 0.000 1.255 366 W CA -0.958 56.289 57.345 -0.164 0.000 1.192 366 W CB 0.824 30.204 29.460 -0.133 0.000 1.400 366 W HN 1.129 nan 8.180 nan 0.000 0.568 367 V N 2.744 122.654 119.914 -0.006 0.000 3.120 367 V HA 0.880 5.000 4.120 -0.000 0.000 0.303 367 V C 0.291 176.404 176.094 0.033 0.000 1.238 367 V CA 0.385 62.685 62.300 -0.000 0.000 1.008 367 V CB 1.376 33.176 31.823 -0.038 0.000 1.064 367 V HN 2.345 nan 8.190 nan 0.000 0.434 368 G N 4.814 113.665 108.800 0.085 0.000 2.499 368 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.232 368 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.232 368 G C -0.615 174.364 174.900 0.132 0.000 1.251 368 G CA 0.192 45.342 45.100 0.083 0.000 0.917 368 G HN 0.978 nan 8.290 nan 0.000 0.580 369 K N 0.465 120.935 120.400 0.117 0.000 2.203 369 K HA 0.653 4.973 4.320 -0.000 0.000 0.251 369 K C 0.528 177.246 176.600 0.197 0.000 0.944 369 K CA -0.006 56.356 56.287 0.125 0.000 0.829 369 K CB 1.831 34.355 32.500 0.039 0.000 1.125 369 K HN 0.899 nan 8.250 nan 0.000 0.430 370 S N 0.299 116.042 115.700 0.072 0.000 2.669 370 S HA 0.143 4.613 4.470 -0.000 0.000 0.270 370 S C 0.900 175.352 174.600 -0.247 0.000 1.225 370 S CA -0.616 57.489 58.200 -0.159 0.000 0.991 370 S CB 1.167 64.223 63.200 -0.239 0.000 0.987 370 S HN 0.639 nan 8.310 nan 0.000 0.552 371 E N 0.716 120.716 120.200 -0.333 0.000 2.085 371 E HA -0.191 4.159 4.350 -0.000 0.000 0.194 371 E C 1.751 178.246 176.600 -0.174 0.000 0.994 371 E CA 1.612 57.825 56.400 -0.311 0.000 0.801 371 E CB -0.221 29.381 29.700 -0.163 0.000 0.743 371 E HN 0.704 nan 8.360 nan 0.000 0.453 372 E N 1.095 121.207 120.200 -0.146 0.000 2.058 372 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 372 E C 2.046 178.607 176.600 -0.064 0.000 0.997 372 E CA 1.220 57.566 56.400 -0.089 0.000 0.801 372 E CB -0.256 29.377 29.700 -0.111 0.000 0.746 372 E HN 0.296 nan 8.360 nan 0.000 0.450 373 Q N -0.004 119.749 119.800 -0.078 0.000 2.061 373 Q HA -0.122 4.218 4.340 -0.000 0.000 0.204 373 Q C 2.351 178.330 176.000 -0.036 0.000 0.984 373 Q CA 1.207 56.986 55.803 -0.040 0.000 0.846 373 Q CB -0.267 28.459 28.738 -0.020 0.000 0.902 373 Q HN 0.285 nan 8.270 nan 0.000 0.421 374 L N 0.612 121.778 121.223 -0.095 0.000 2.046 374 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 374 L C 2.346 179.249 176.870 0.055 0.000 1.077 374 L CA 1.315 56.113 54.840 -0.070 0.000 0.747 374 L CB -0.380 41.485 42.059 -0.323 0.000 0.896 374 L HN 0.171 nan 8.230 nan 0.000 0.432 375 K N -0.038 120.408 120.400 0.077 0.000 2.097 375 K HA -0.246 4.074 4.320 -0.000 0.000 0.206 375 K C 2.033 178.668 176.600 0.058 0.000 1.049 375 K CA 1.684 58.038 56.287 0.112 0.000 0.933 375 K CB -0.077 32.479 32.500 0.094 0.000 0.717 375 K HN 0.266 nan 8.250 nan 0.000 0.442 376 E N 1.560 121.778 120.200 0.030 0.000 2.077 376 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 376 E C 1.390 178.007 176.600 0.029 0.000 0.989 376 E CA 1.444 57.857 56.400 0.023 0.000 0.800 376 E CB 0.125 29.833 29.700 0.012 0.000 0.746 376 E HN 0.268 nan 8.360 nan 0.000 0.452 377 E N -0.983 119.236 120.200 0.032 0.000 2.427 377 E HA 0.042 4.392 4.350 -0.000 0.000 0.196 377 E C 0.887 177.513 176.600 0.043 0.000 1.028 377 E CA 0.435 56.856 56.400 0.035 0.000 0.864 377 E CB 0.176 29.896 29.700 0.033 0.000 0.813 377 E HN 0.487 nan 8.360 nan 0.000 0.514 378 G N 1.147 109.980 108.800 0.055 0.000 2.137 378 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.237 378 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.237 378 G C -0.041 174.902 174.900 0.072 0.000 1.002 378 G CA -0.173 44.961 45.100 0.057 0.000 0.702 378 G HN 0.088 nan 8.290 nan 0.000 0.515 379 I N 1.109 121.742 120.570 0.104 0.000 2.428 379 I HA 0.336 4.506 4.170 -0.000 0.000 0.289 379 I C 0.724 176.958 176.117 0.195 0.000 1.019 379 I CA -0.456 60.921 61.300 0.128 0.000 1.351 379 I CB 1.150 39.222 38.000 0.120 0.000 1.412 379 I HN 0.172 nan 8.210 nan 0.000 0.513 380 E N 5.823 126.096 120.200 0.121 0.000 2.229 380 E HA 0.361 4.711 4.350 -0.000 0.000 0.283 380 E C -1.439 175.238 176.600 0.128 0.000 1.030 380 E CA -0.235 56.197 56.400 0.054 0.000 0.836 380 E CB 0.951 30.653 29.700 0.003 0.000 1.068 380 E HN 0.489 nan 8.360 nan 0.000 0.401 381 Y N 0.144 120.447 120.300 0.005 0.000 2.615 381 Y HA 0.519 5.069 4.550 -0.000 0.000 0.341 381 Y C -1.092 174.811 175.900 0.005 0.000 1.089 381 Y CA -1.534 56.571 58.100 0.009 0.000 1.049 381 Y CB 1.002 39.472 38.460 0.016 0.000 1.296 381 Y HN 0.238 nan 8.280 nan 0.000 0.470 382 K N 1.140 121.643 120.400 0.172 0.000 2.259 382 K HA 0.822 5.142 4.320 -0.000 0.000 0.249 382 K C -1.708 175.006 176.600 0.191 0.000 0.942 382 K CA -1.034 55.304 56.287 0.086 0.000 0.816 382 K CB 2.637 35.160 32.500 0.040 0.000 1.155 382 K HN 0.518 nan 8.250 nan 0.000 0.428 383 V N 1.157 121.153 119.914 0.136 0.000 2.483 383 V HA 0.587 4.707 4.120 -0.000 0.000 0.295 383 V C 0.052 176.199 176.094 0.089 0.000 1.035 383 V CA -0.548 61.836 62.300 0.141 0.000 0.896 383 V CB 1.652 33.557 31.823 0.137 0.000 0.986 383 V HN 0.982 nan 8.190 nan 0.000 0.447 384 G N 3.989 112.840 108.800 0.085 0.000 2.702 384 G HA2 0.642 4.602 3.960 -0.000 0.000 0.295 384 G HA3 0.642 4.602 3.960 -0.000 0.000 0.295 384 G C -0.929 174.019 174.900 0.080 0.000 1.446 384 G CA -0.612 44.533 45.100 0.075 0.000 0.983 384 G HN 0.604 nan 8.290 nan 0.000 0.520 385 K N 0.941 121.401 120.400 0.100 0.000 2.267 385 K HA 0.698 5.018 4.320 -0.000 0.000 0.246 385 K C -1.864 174.818 176.600 0.135 0.000 0.954 385 K CA -0.914 55.425 56.287 0.087 0.000 0.824 385 K CB 2.827 35.359 32.500 0.053 0.000 1.167 385 K HN 0.371 nan 8.250 nan 0.000 0.431 386 F N 3.191 123.058 119.950 -0.139 0.000 2.689 386 F HA 0.262 4.789 4.527 -0.000 0.000 0.332 386 F C -2.641 172.907 175.800 -0.420 0.000 1.209 386 F CA -1.803 56.045 58.000 -0.253 0.000 1.028 386 F CB 1.798 40.672 39.000 -0.211 0.000 1.291 386 F HN 0.296 nan 8.300 nan 0.000 0.500 387 P HA 0.165 nan 4.420 nan 0.000 0.285 387 P C 0.478 177.474 177.300 -0.506 0.000 1.259 387 P CA -0.055 62.647 63.100 -0.664 0.000 0.794 387 P CB 0.870 32.083 31.700 -0.812 0.000 0.940 388 F N 2.234 122.137 119.950 -0.079 0.000 2.333 388 F HA -0.119 4.408 4.527 -0.000 0.000 0.300 388 F C 2.523 178.315 175.800 -0.014 0.000 1.083 388 F CA 1.644 59.661 58.000 0.028 0.000 1.395 388 F CB -1.144 37.872 39.000 0.028 0.000 1.056 388 F HN 0.371 nan 8.300 nan 0.000 0.529 389 A N -0.482 122.354 122.820 0.027 0.000 2.121 389 A HA 0.152 4.472 4.320 -0.000 0.000 0.218 389 A C 2.109 179.679 177.584 -0.023 0.000 1.154 389 A CA 1.357 53.397 52.037 0.004 0.000 0.679 389 A CB -0.813 18.160 19.000 -0.045 0.000 0.795 389 A HN 0.233 nan 8.150 nan 0.000 0.458 390 A N -0.625 122.114 122.820 -0.134 0.000 2.430 390 A HA 0.213 4.533 4.320 -0.000 0.000 0.243 390 A C 0.602 178.342 177.584 0.260 0.000 1.254 390 A CA -0.286 51.722 52.037 -0.048 0.000 0.914 390 A CB -0.213 18.562 19.000 -0.374 0.000 0.998 390 A HN 0.450 nan 8.150 nan 0.000 0.515 391 N N 0.203 119.089 118.700 0.309 0.000 2.438 391 N HA 0.152 4.892 4.740 -0.000 0.000 0.282 391 N C 0.511 176.154 175.510 0.222 0.000 1.037 391 N CA 0.160 53.417 53.050 0.345 0.000 0.942 391 N CB 1.364 40.075 38.487 0.373 0.000 1.136 391 N HN 0.036 nan 8.380 nan 0.000 0.481 392 S N 3.471 119.280 115.700 0.182 0.000 2.359 392 S HA -0.155 4.315 4.470 -0.000 0.000 0.224 392 S C 1.716 176.352 174.600 0.060 0.000 1.035 392 S CA 1.100 59.372 58.200 0.121 0.000 1.018 392 S CB -0.107 63.172 63.200 0.131 0.000 0.876 392 S HN 0.674 nan 8.310 nan 0.000 0.448 393 R N 0.964 121.483 120.500 0.030 0.000 2.066 393 R HA -0.041 4.299 4.340 -0.000 0.000 0.232 393 R C 2.461 178.800 176.300 0.066 0.000 1.131 393 R CA 1.243 57.356 56.100 0.022 0.000 0.955 393 R CB -0.522 29.784 30.300 0.010 0.000 0.851 393 R HN 0.368 nan 8.270 nan 0.000 0.432 394 A N 1.235 124.125 122.820 0.117 0.000 1.873 394 A HA -0.259 4.061 4.320 -0.000 0.000 0.218 394 A C 2.068 179.713 177.584 0.102 0.000 1.193 394 A CA 2.007 54.116 52.037 0.119 0.000 0.629 394 A CB -0.539 18.595 19.000 0.223 0.000 0.826 394 A HN 0.257 nan 8.150 nan 0.000 0.447 395 K N -0.603 119.864 120.400 0.112 0.000 2.026 395 K HA -0.088 4.232 4.320 -0.000 0.000 0.208 395 K C 2.024 178.666 176.600 0.071 0.000 1.048 395 K CA 2.258 58.601 56.287 0.092 0.000 0.929 395 K CB -0.959 31.600 32.500 0.097 0.000 0.713 395 K HN 0.444 nan 8.250 nan 0.000 0.439 396 T N 1.159 115.751 114.554 0.063 0.000 2.788 396 T HA -0.071 4.279 4.350 -0.000 0.000 0.268 396 T C 1.262 175.987 174.700 0.043 0.000 1.044 396 T CA 1.454 63.582 62.100 0.047 0.000 1.139 396 T CB -0.272 68.617 68.868 0.035 0.000 0.867 396 T HN 0.245 nan 8.240 nan 0.000 0.454 397 N N 0.860 119.590 118.700 0.050 0.000 2.463 397 N HA 0.230 4.970 4.740 -0.000 0.000 0.181 397 N C 0.945 176.495 175.510 0.067 0.000 1.078 397 N CA 0.693 53.776 53.050 0.055 0.000 0.902 397 N CB -0.082 38.442 38.487 0.062 0.000 0.970 397 N HN 0.423 nan 8.380 nan 0.000 0.451 398 A N 0.906 123.766 122.820 0.067 0.000 2.800 398 A HA -0.181 4.139 4.320 -0.000 0.000 0.292 398 A C -0.343 177.295 177.584 0.090 0.000 1.474 398 A CA 0.828 52.908 52.037 0.071 0.000 0.744 398 A CB -1.888 17.148 19.000 0.060 0.000 1.044 398 A HN 0.262 nan 8.150 nan 0.000 0.489 399 D N -0.008 120.445 120.400 0.090 0.000 2.364 399 D HA 0.429 5.069 4.640 -0.000 0.000 0.251 399 D C 0.909 177.241 176.300 0.055 0.000 1.282 399 D CA 0.561 54.620 54.000 0.099 0.000 0.927 399 D CB 0.393 41.263 40.800 0.117 0.000 1.267 399 D HN 0.603 nan 8.370 nan 0.000 0.531 400 T N -1.411 113.189 114.554 0.076 0.000 3.085 400 T HA 0.197 4.547 4.350 -0.000 0.000 0.264 400 T C 0.481 175.253 174.700 0.120 0.000 1.019 400 T CA -0.501 61.662 62.100 0.105 0.000 0.910 400 T CB 0.342 69.272 68.868 0.103 0.000 1.059 400 T HN 0.006 nan 8.240 nan 0.000 0.542 401 D N 2.240 122.684 120.400 0.073 0.000 2.449 401 D HA 0.440 5.080 4.640 -0.000 0.000 0.236 401 D C 1.316 177.711 176.300 0.159 0.000 1.149 401 D CA 1.770 55.825 54.000 0.090 0.000 0.878 401 D CB 0.588 41.427 40.800 0.065 0.000 1.198 401 D HN 0.570 nan 8.370 nan 0.000 0.446 402 G N 0.459 109.364 108.800 0.174 0.000 2.598 402 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.244 402 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.244 402 G C -0.267 174.802 174.900 0.281 0.000 1.302 402 G CA 0.377 45.619 45.100 0.237 0.000 0.903 402 G HN 0.816 nan 8.290 nan 0.000 0.575 403 M N -3.620 116.139 119.600 0.265 0.000 3.012 403 M HA 0.711 5.191 4.480 -0.000 0.000 0.272 403 M C -1.244 175.072 176.300 0.026 0.000 1.187 403 M CA -1.173 54.112 55.300 -0.025 0.000 0.813 403 M CB 1.744 34.302 32.600 -0.071 0.000 1.626 403 M HN 0.988 nan 8.290 nan 0.000 0.507 404 V N 1.712 121.559 119.914 -0.113 0.000 2.384 404 V HA 0.573 4.693 4.120 -0.000 0.000 0.287 404 V C -0.681 175.457 176.094 0.073 0.000 1.020 404 V CA -0.389 61.932 62.300 0.035 0.000 0.850 404 V CB 1.555 33.384 31.823 0.010 0.000 0.987 404 V HN 0.771 nan 8.190 nan 0.000 0.436 405 K N 5.406 125.887 120.400 0.135 0.000 2.244 405 K HA 0.619 4.939 4.320 -0.000 0.000 0.260 405 K C -1.320 175.382 176.600 0.171 0.000 0.951 405 K CA -0.656 55.708 56.287 0.128 0.000 0.826 405 K CB 1.262 33.825 32.500 0.103 0.000 1.108 405 K HN 0.445 nan 8.250 nan 0.000 0.433 406 I N 5.629 126.267 120.570 0.113 0.000 2.441 406 I HA 0.340 4.510 4.170 -0.000 0.000 0.295 406 I C -0.510 175.669 176.117 0.104 0.000 0.994 406 I CA -0.875 60.481 61.300 0.093 0.000 1.144 406 I CB 1.421 39.420 38.000 -0.002 0.000 1.314 406 I HN 0.630 nan 8.210 nan 0.000 0.445 407 L N 5.473 126.759 121.223 0.106 0.000 2.319 407 L HA 0.659 4.999 4.340 -0.000 0.000 0.281 407 L C 0.328 177.249 176.870 0.084 0.000 1.005 407 L CA -0.440 54.452 54.840 0.088 0.000 0.828 407 L CB 1.885 43.936 42.059 -0.015 0.000 1.227 407 L HN 0.688 nan 8.230 nan 0.000 0.415 408 G N 1.527 110.399 108.800 0.119 0.000 2.448 408 G HA2 0.470 4.430 3.960 -0.000 0.000 0.324 408 G HA3 0.470 4.430 3.960 -0.000 0.000 0.324 408 G C -0.920 174.060 174.900 0.133 0.000 1.203 408 G CA -0.462 44.697 45.100 0.099 0.000 0.954 408 G HN 0.532 nan 8.290 nan 0.000 0.480 409 Q N 1.240 121.101 119.800 0.102 0.000 2.289 409 Q HA 0.150 4.490 4.340 -0.000 0.000 0.273 409 Q C 1.427 177.476 176.000 0.081 0.000 1.029 409 Q CA 0.216 56.083 55.803 0.105 0.000 0.896 409 Q CB 1.136 29.919 28.738 0.075 0.000 1.182 409 Q HN 0.594 nan 8.270 nan 0.000 0.385 410 K N 2.283 122.730 120.400 0.078 0.000 2.074 410 K HA -0.234 4.086 4.320 -0.000 0.000 0.209 410 K C 1.566 178.180 176.600 0.024 0.000 1.048 410 K CA 1.928 58.237 56.287 0.037 0.000 0.926 410 K CB -0.038 32.467 32.500 0.008 0.000 0.713 410 K HN 0.878 nan 8.250 nan 0.000 0.444 411 S N -0.741 114.975 115.700 0.028 0.000 2.362 411 S HA -0.101 4.369 4.470 -0.000 0.000 0.221 411 S C 2.024 176.637 174.600 0.023 0.000 1.032 411 S CA 1.387 59.599 58.200 0.020 0.000 0.973 411 S CB -0.491 62.721 63.200 0.019 0.000 0.849 411 S HN 0.447 nan 8.310 nan 0.000 0.465 412 T N -2.267 112.305 114.554 0.030 0.000 3.081 412 T HA 0.185 4.535 4.350 -0.000 0.000 0.250 412 T C 0.569 175.289 174.700 0.033 0.000 1.100 412 T CA 0.812 62.930 62.100 0.030 0.000 1.038 412 T CB -0.534 68.353 68.868 0.030 0.000 0.962 412 T HN 0.367 nan 8.240 nan 0.000 0.516 413 D N 0.147 120.569 120.400 0.037 0.000 3.059 413 D HA -0.181 4.459 4.640 -0.000 0.000 0.220 413 D C 0.039 176.363 176.300 0.041 0.000 1.169 413 D CA 0.596 54.619 54.000 0.039 0.000 0.902 413 D CB -1.214 39.607 40.800 0.034 0.000 1.116 413 D HN 0.460 nan 8.370 nan 0.000 0.417 414 R N -0.169 120.358 120.500 0.045 0.000 2.442 414 R HA 0.429 4.769 4.340 -0.000 0.000 0.291 414 R C -0.384 175.947 176.300 0.052 0.000 1.069 414 R CA -0.323 55.806 56.100 0.047 0.000 1.022 414 R CB 0.791 31.118 30.300 0.045 0.000 0.976 414 R HN 0.015 nan 8.270 nan 0.000 0.443 415 V N 7.342 127.287 119.914 0.051 0.000 2.585 415 V HA 0.006 4.126 4.120 -0.000 0.000 0.296 415 V C 1.204 177.334 176.094 0.059 0.000 1.035 415 V CA 0.319 62.651 62.300 0.054 0.000 1.084 415 V CB 0.731 32.590 31.823 0.060 0.000 0.953 415 V HN 0.771 nan 8.190 nan 0.000 0.483 416 L N 3.666 124.923 121.223 0.056 0.000 2.500 416 L HA 0.512 4.852 4.340 -0.000 0.000 0.219 416 L C 1.036 177.937 176.870 0.052 0.000 1.057 416 L CA 0.640 55.509 54.840 0.047 0.000 0.854 416 L CB 0.261 42.337 42.059 0.029 0.000 1.078 416 L HN 0.776 nan 8.230 nan 0.000 0.480 417 G N -0.018 108.819 108.800 0.061 0.000 2.746 417 G HA2 0.690 4.650 3.960 -0.000 0.000 0.297 417 G HA3 0.690 4.650 3.960 -0.000 0.000 0.297 417 G C -1.849 173.057 174.900 0.010 0.000 1.426 417 G CA -0.127 45.002 45.100 0.048 0.000 0.989 417 G HN 0.003 nan 8.290 nan 0.000 0.520 418 A N 2.127 124.845 122.820 -0.170 0.000 2.335 418 A HA 0.822 5.142 4.320 -0.000 0.000 0.304 418 A C -0.942 176.449 177.584 -0.322 0.000 1.118 418 A CA -0.715 51.294 52.037 -0.047 0.000 0.757 418 A CB 1.009 20.100 19.000 0.153 0.000 1.188 418 A HN 0.743 nan 8.150 nan 0.000 0.460 419 H N 2.624 121.803 119.070 0.182 0.000 2.609 419 H HA 0.507 5.063 4.556 -0.000 0.000 0.344 419 H C -1.150 174.273 175.328 0.159 0.000 1.040 419 H CA -0.262 55.895 56.048 0.182 0.000 1.216 419 H CB 1.677 31.473 29.762 0.056 0.000 1.529 419 H HN 0.563 nan 8.280 nan 0.000 0.519 420 I N 3.677 124.395 120.570 0.246 0.000 2.509 420 I HA 0.211 4.381 4.170 -0.000 0.000 0.293 420 I C -0.791 175.427 176.117 0.168 0.000 1.020 420 I CA -0.966 60.463 61.300 0.215 0.000 1.088 420 I CB 2.494 40.599 38.000 0.175 0.000 1.267 420 I HN 0.195 nan 8.210 nan 0.000 0.430 421 L N 5.934 127.285 121.223 0.215 0.000 2.406 421 L HA 0.955 5.295 4.340 -0.000 0.000 0.270 421 L C -0.229 176.749 176.870 0.181 0.000 0.982 421 L CA 0.382 55.294 54.840 0.120 0.000 0.843 421 L CB 1.062 43.185 42.059 0.106 0.000 1.225 421 L HN 0.869 nan 8.230 nan 0.000 0.412 422 G N 4.274 113.035 108.800 -0.065 0.000 2.340 422 G HA2 0.138 4.098 3.960 -0.000 0.000 0.282 422 G HA3 0.138 4.098 3.960 -0.000 0.000 0.282 422 G C -3.363 171.182 174.900 -0.593 0.000 1.312 422 G CA -0.526 44.362 45.100 -0.354 0.000 0.942 422 G HN 0.494 nan 8.290 nan 0.000 0.495 423 P HA 0.345 nan 4.420 nan 0.000 0.268 423 P C 1.026 178.042 177.300 -0.474 0.000 1.204 423 P CA 1.861 64.604 63.100 -0.595 0.000 0.768 423 P CB 0.877 32.291 31.700 -0.478 0.000 0.842 424 G N 2.844 111.475 108.800 -0.281 0.000 2.155 424 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.257 424 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.257 424 G C 1.112 175.919 174.900 -0.155 0.000 0.983 424 G CA 0.537 45.535 45.100 -0.170 0.000 0.676 424 G HN 0.702 nan 8.290 nan 0.000 0.528 425 A N 0.147 122.850 122.820 -0.194 0.000 1.884 425 A HA 0.139 4.459 4.320 -0.000 0.000 0.219 425 A C 2.911 180.382 177.584 -0.189 0.000 1.197 425 A CA 2.615 54.564 52.037 -0.147 0.000 0.637 425 A CB -1.175 17.729 19.000 -0.160 0.000 0.827 425 A HN 1.712 nan 8.150 nan 0.000 0.450 426 G N -0.879 107.762 108.800 -0.264 0.000 2.440 426 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.218 426 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.218 426 G C 1.410 176.198 174.900 -0.188 0.000 1.154 426 G CA 1.115 46.034 45.100 -0.302 0.000 0.767 426 G HN 0.505 nan 8.290 nan 0.000 0.552 427 E N -0.276 119.843 120.200 -0.134 0.000 2.158 427 E HA 0.048 4.398 4.350 -0.000 0.000 0.191 427 E C 2.348 178.868 176.600 -0.132 0.000 0.982 427 E CA 0.271 56.609 56.400 -0.102 0.000 0.823 427 E CB -0.316 29.346 29.700 -0.064 0.000 0.766 427 E HN 0.484 nan 8.360 nan 0.000 0.468 428 M N 0.432 119.944 119.600 -0.147 0.000 2.175 428 M HA -0.090 4.389 4.480 -0.000 0.000 0.264 428 M C 2.181 178.307 176.300 -0.291 0.000 1.063 428 M CA 0.795 55.973 55.300 -0.202 0.000 1.119 428 M CB 0.058 32.569 32.600 -0.147 0.000 1.377 428 M HN -0.052 nan 8.290 nan 0.000 0.415 429 V N 1.543 121.319 119.914 -0.230 0.000 2.688 429 V HA -0.268 3.852 4.120 -0.000 0.000 0.256 429 V C 1.695 177.662 176.094 -0.211 0.000 1.084 429 V CA 1.765 63.930 62.300 -0.224 0.000 1.103 429 V CB -0.835 30.870 31.823 -0.198 0.000 0.688 429 V HN 0.555 nan 8.190 nan 0.000 0.480 430 N N -0.127 118.456 118.700 -0.195 0.000 2.331 430 N HA -0.158 4.582 4.740 -0.000 0.000 0.180 430 N C 1.793 177.217 175.510 -0.143 0.000 1.019 430 N CA 1.400 54.360 53.050 -0.150 0.000 0.881 430 N CB -0.090 38.320 38.487 -0.128 0.000 0.972 430 N HN 0.676 nan 8.380 nan 0.000 0.435 431 E N 1.072 121.145 120.200 -0.211 0.000 2.072 431 E HA -0.070 4.280 4.350 -0.000 0.000 0.191 431 E C 1.807 178.316 176.600 -0.151 0.000 0.985 431 E CA 0.794 57.079 56.400 -0.192 0.000 0.801 431 E CB 0.078 29.605 29.700 -0.289 0.000 0.750 431 E HN 0.273 nan 8.360 nan 0.000 0.452 432 A N 1.202 123.854 122.820 -0.280 0.000 1.930 432 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 432 A C 2.368 179.965 177.584 0.022 0.000 1.175 432 A CA 1.640 53.653 52.037 -0.040 0.000 0.627 432 A CB -0.647 18.307 19.000 -0.076 0.000 0.815 432 A HN 0.387 nan 8.150 nan 0.000 0.443 433 A N -0.517 122.281 122.820 -0.037 0.000 1.972 433 A HA -0.024 4.296 4.320 -0.000 0.000 0.219 433 A C 2.114 179.717 177.584 0.032 0.000 1.169 433 A CA 1.724 53.759 52.037 -0.003 0.000 0.635 433 A CB -0.530 18.451 19.000 -0.031 0.000 0.810 433 A HN 0.703 nan 8.150 nan 0.000 0.446 434 L N -0.320 120.918 121.223 0.024 0.000 2.027 434 L HA 0.032 4.372 4.340 -0.000 0.000 0.206 434 L C 2.650 179.582 176.870 0.104 0.000 1.074 434 L CA 2.141 57.013 54.840 0.053 0.000 0.745 434 L CB -0.971 41.090 42.059 0.003 0.000 0.898 434 L HN 0.319 nan 8.230 nan 0.000 0.433 435 A N -0.123 122.759 122.820 0.103 0.000 1.884 435 A HA -0.246 4.074 4.320 -0.000 0.000 0.219 435 A C 2.321 179.997 177.584 0.153 0.000 1.197 435 A CA 2.376 54.498 52.037 0.143 0.000 0.637 435 A CB -1.156 17.966 19.000 0.204 0.000 0.827 435 A HN 0.523 nan 8.150 nan 0.000 0.450 436 L N -1.051 120.247 121.223 0.125 0.000 2.131 436 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 436 L C 2.655 179.582 176.870 0.093 0.000 1.092 436 L CA 1.744 56.643 54.840 0.099 0.000 0.759 436 L CB -0.446 41.659 42.059 0.076 0.000 0.903 436 L HN 0.571 nan 8.230 nan 0.000 0.435 437 E N -0.129 120.138 120.200 0.112 0.000 2.106 437 E HA -0.244 4.106 4.350 -0.000 0.000 0.192 437 E C 1.803 178.459 176.600 0.093 0.000 0.984 437 E CA 1.523 57.981 56.400 0.097 0.000 0.806 437 E CB -0.197 29.577 29.700 0.123 0.000 0.750 437 E HN 0.409 nan 8.360 nan 0.000 0.458 438 Y N -0.432 119.876 120.300 0.013 0.000 2.546 438 Y HA 0.233 4.783 4.550 -0.000 0.000 0.287 438 Y C 1.344 177.252 175.900 0.013 0.000 1.158 438 Y CA 0.877 58.983 58.100 0.011 0.000 1.307 438 Y CB 0.536 39.006 38.460 0.016 0.000 1.036 438 Y HN 0.213 nan 8.280 nan 0.000 0.532 439 G N 0.446 109.315 108.800 0.115 0.000 2.225 439 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.264 439 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.264 439 G C 0.339 175.297 174.900 0.098 0.000 1.060 439 G CA -0.018 45.125 45.100 0.072 0.000 0.833 439 G HN 0.632 nan 8.290 nan 0.000 0.498 440 A N -0.148 122.749 122.820 0.128 0.000 2.466 440 A HA 0.681 5.001 4.320 -0.000 0.000 0.238 440 A C 1.110 178.737 177.584 0.073 0.000 1.074 440 A CA 0.985 53.088 52.037 0.109 0.000 0.774 440 A CB 0.322 19.389 19.000 0.112 0.000 1.015 440 A HN 2.088 nan 8.150 nan 0.000 0.498 441 S N 0.049 115.783 115.700 0.056 0.000 2.651 441 S HA 0.320 4.790 4.470 -0.000 0.000 0.291 441 S C 0.962 175.574 174.600 0.020 0.000 1.141 441 S CA -0.220 58.004 58.200 0.040 0.000 1.027 441 S CB 0.865 64.088 63.200 0.038 0.000 1.043 441 S HN 0.730 nan 8.310 nan 0.000 0.530 442 C N 0.758 120.064 119.300 0.009 0.000 2.411 442 C HA -0.053 4.407 4.460 -0.000 0.000 0.279 442 C C 2.633 177.605 174.990 -0.030 0.000 1.288 442 C CA 1.118 60.120 59.018 -0.027 0.000 1.764 442 C CB -1.570 26.161 27.740 -0.015 0.000 1.974 442 C HN 1.087 nan 8.230 nan 0.000 0.498 443 E N 1.092 121.293 120.200 0.003 0.000 2.072 443 E HA -0.203 4.147 4.350 -0.000 0.000 0.191 443 E C 1.466 178.068 176.600 0.004 0.000 0.985 443 E CA 1.310 57.716 56.400 0.009 0.000 0.801 443 E CB -0.101 29.616 29.700 0.028 0.000 0.750 443 E HN 0.530 nan 8.360 nan 0.000 0.452 444 D N 0.746 121.155 120.400 0.014 0.000 2.106 444 D HA -0.198 4.442 4.640 -0.000 0.000 0.191 444 D C 2.059 178.371 176.300 0.020 0.000 0.997 444 D CA 1.277 55.289 54.000 0.021 0.000 0.834 444 D CB -0.332 40.490 40.800 0.036 0.000 0.956 444 D HN 0.324 nan 8.370 nan 0.000 0.448 445 I N 1.107 121.682 120.570 0.009 0.000 2.208 445 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 445 I C 2.419 178.535 176.117 -0.001 0.000 1.097 445 I CA 1.108 62.416 61.300 0.014 0.000 1.363 445 I CB -0.297 37.642 38.000 -0.101 0.000 1.051 445 I HN -0.074 nan 8.210 nan 0.000 0.413 446 A N 0.625 123.410 122.820 -0.059 0.000 2.067 446 A HA -0.127 4.193 4.320 -0.000 0.000 0.219 446 A C 2.302 179.870 177.584 -0.027 0.000 1.158 446 A CA 1.227 53.219 52.037 -0.076 0.000 0.661 446 A CB -0.439 18.515 19.000 -0.076 0.000 0.801 446 A HN 0.375 nan 8.150 nan 0.000 0.452 447 R N -0.897 119.605 120.500 0.003 0.000 2.300 447 R HA 0.171 4.511 4.340 -0.000 0.000 0.199 447 R C -0.285 176.037 176.300 0.036 0.000 0.920 447 R CA -0.105 56.001 56.100 0.009 0.000 1.046 447 R CB 0.186 30.486 30.300 -0.001 0.000 0.984 447 R HN 0.302 nan 8.270 nan 0.000 0.493 448 V N 1.438 121.397 119.914 0.075 0.000 2.572 448 V HA -0.046 4.074 4.120 -0.000 0.000 0.291 448 V C 0.647 176.814 176.094 0.122 0.000 1.039 448 V CA -0.623 61.714 62.300 0.062 0.000 1.055 448 V CB 1.177 33.027 31.823 0.046 0.000 0.969 448 V HN 0.297 nan 8.190 nan 0.000 0.482 449 C N 6.565 125.883 119.300 0.030 0.000 2.629 449 C HA 0.360 4.820 4.460 -0.000 0.000 0.410 449 C C 0.239 175.234 174.990 0.009 0.000 1.339 449 C CA -0.192 58.859 59.018 0.055 0.000 1.810 449 C CB -1.409 26.337 27.740 0.010 0.000 2.549 449 C HN 0.917 nan 8.230 nan 0.000 0.589 450 H N 3.008 122.088 119.070 0.016 0.000 2.492 450 H HA 0.567 5.123 4.556 -0.000 0.000 0.345 450 H C 0.415 175.767 175.328 0.040 0.000 1.136 450 H CA 0.365 56.430 56.048 0.028 0.000 1.202 450 H CB 1.462 31.245 29.762 0.035 0.000 1.524 450 H HN 0.922 nan 8.280 nan 0.000 0.506 451 A N 2.096 124.989 122.820 0.122 0.000 2.498 451 A HA 0.180 4.500 4.320 -0.000 0.000 0.239 451 A C -0.453 177.207 177.584 0.128 0.000 1.068 451 A CA 0.254 52.349 52.037 0.097 0.000 0.766 451 A CB -0.339 18.690 19.000 0.048 0.000 1.003 451 A HN 0.873 nan 8.150 nan 0.000 0.497 452 H N 2.448 121.546 119.070 0.047 0.000 2.489 452 H HA 0.644 5.200 4.556 -0.000 0.000 0.343 452 H C -2.424 172.926 175.328 0.037 0.000 1.086 452 H CA -1.507 54.566 56.048 0.042 0.000 1.198 452 H CB 1.394 31.176 29.762 0.032 0.000 1.490 452 H HN 0.578 nan 8.280 nan 0.000 0.504 453 P HA 0.311 nan 4.420 nan 0.000 0.298 453 P C -1.388 175.778 177.300 -0.223 0.000 1.314 453 P CA -0.621 62.041 63.100 -0.729 0.000 0.854 453 P CB 1.841 33.085 31.700 -0.761 0.000 1.019 454 T N -1.254 113.236 114.554 -0.107 0.000 2.894 454 T HA 0.315 4.665 4.350 -0.000 0.000 0.309 454 T C 1.128 175.862 174.700 0.056 0.000 1.208 454 T CA -0.904 61.196 62.100 -0.000 0.000 1.016 454 T CB 0.797 69.691 68.868 0.043 0.000 1.192 454 T HN 0.120 nan 8.240 nan 0.000 0.491 455 L N 1.614 122.895 121.223 0.096 0.000 2.187 455 L HA -0.097 4.243 4.340 -0.000 0.000 0.213 455 L C 3.028 180.016 176.870 0.197 0.000 1.100 455 L CA 1.707 56.669 54.840 0.204 0.000 0.765 455 L CB -0.739 41.422 42.059 0.170 0.000 0.904 455 L HN 0.959 nan 8.230 nan 0.000 0.437 456 S N -0.624 115.161 115.700 0.141 0.000 2.442 456 S HA -0.202 4.268 4.470 -0.000 0.000 0.236 456 S C 1.622 176.245 174.600 0.039 0.000 1.007 456 S CA 1.068 59.368 58.200 0.167 0.000 0.965 456 S CB -0.351 63.015 63.200 0.277 0.000 0.773 456 S HN 0.519 nan 8.310 nan 0.000 0.504 457 E N 1.418 121.600 120.200 -0.030 0.000 2.204 457 E HA -0.040 4.310 4.350 -0.000 0.000 0.195 457 E C 2.313 178.688 176.600 -0.373 0.000 0.990 457 E CA 0.899 57.178 56.400 -0.200 0.000 0.821 457 E CB -0.372 29.280 29.700 -0.080 0.000 0.750 457 E HN 0.780 nan 8.360 nan 0.000 0.477 458 A N 0.801 123.463 122.820 -0.263 0.000 1.930 458 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 458 A C 1.889 179.285 177.584 -0.315 0.000 1.175 458 A CA 0.812 52.577 52.037 -0.452 0.000 0.627 458 A CB -0.510 18.283 19.000 -0.346 0.000 0.815 458 A HN 0.337 nan 8.150 nan 0.000 0.443 459 F N 0.471 120.256 119.950 -0.274 0.000 2.206 459 F HA -0.027 4.500 4.527 -0.000 0.000 0.298 459 F C 2.255 177.904 175.800 -0.253 0.000 1.090 459 F CA 1.585 59.474 58.000 -0.185 0.000 1.323 459 F CB -0.239 38.713 39.000 -0.080 0.000 1.028 459 F HN 0.194 nan 8.300 nan 0.000 0.492 460 R N 0.474 120.717 120.500 -0.429 0.000 2.073 460 R HA -0.146 4.194 4.340 -0.000 0.000 0.234 460 R C 2.149 178.191 176.300 -0.430 0.000 1.134 460 R CA 1.865 57.632 56.100 -0.555 0.000 0.952 460 R CB -0.368 29.503 30.300 -0.716 0.000 0.850 460 R HN 0.307 nan 8.270 nan 0.000 0.433 461 E N 0.055 119.969 120.200 -0.478 0.000 2.106 461 E HA -0.154 4.196 4.350 -0.000 0.000 0.192 461 E C 1.878 178.359 176.600 -0.199 0.000 0.984 461 E CA 1.111 57.263 56.400 -0.414 0.000 0.806 461 E CB -0.078 29.065 29.700 -0.928 0.000 0.750 461 E HN 0.463 nan 8.360 nan 0.000 0.458 462 A N 1.860 124.557 122.820 -0.205 0.000 1.969 462 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 462 A C 1.944 179.460 177.584 -0.113 0.000 1.169 462 A CA 1.106 53.106 52.037 -0.062 0.000 0.635 462 A CB -0.355 18.614 19.000 -0.052 0.000 0.810 462 A HN 0.143 nan 8.150 nan 0.000 0.445 463 N N -0.381 118.166 118.700 -0.255 0.000 2.216 463 N HA -0.110 4.630 4.740 -0.000 0.000 0.183 463 N C 1.687 177.135 175.510 -0.103 0.000 1.017 463 N CA 1.416 54.329 53.050 -0.227 0.000 0.861 463 N CB -0.255 38.008 38.487 -0.374 0.000 0.986 463 N HN 0.434 nan 8.380 nan 0.000 0.428 464 L N 1.587 122.752 121.223 -0.096 0.000 2.017 464 L HA -0.014 4.326 4.340 -0.000 0.000 0.208 464 L C 2.205 179.125 176.870 0.083 0.000 1.073 464 L CA 1.607 56.441 54.840 -0.011 0.000 0.745 464 L CB -0.949 41.083 42.059 -0.045 0.000 0.894 464 L HN 0.054 nan 8.230 nan 0.000 0.432 465 A N -0.522 122.347 122.820 0.082 0.000 1.978 465 A HA -0.118 4.202 4.320 -0.000 0.000 0.220 465 A C 2.387 180.024 177.584 0.088 0.000 1.170 465 A CA 1.884 53.995 52.037 0.124 0.000 0.636 465 A CB -1.068 18.020 19.000 0.147 0.000 0.810 465 A HN 0.612 nan 8.150 nan 0.000 0.448 466 A N -1.714 121.140 122.820 0.056 0.000 1.975 466 A HA 0.101 4.421 4.320 -0.000 0.000 0.215 466 A C 2.387 179.999 177.584 0.047 0.000 1.170 466 A CA 1.740 53.805 52.037 0.046 0.000 0.656 466 A CB -0.544 18.476 19.000 0.033 0.000 0.821 466 A HN 0.450 nan 8.150 nan 0.000 0.449 467 S N -1.845 113.890 115.700 0.059 0.000 2.356 467 S HA 0.035 4.505 4.470 -0.000 0.000 0.219 467 S C 1.643 176.316 174.600 0.122 0.000 1.036 467 S CA 1.094 59.340 58.200 0.075 0.000 0.965 467 S CB -0.349 62.892 63.200 0.069 0.000 0.864 467 S HN 0.537 nan 8.310 nan 0.000 0.471 468 F N 0.978 120.923 119.950 -0.008 0.000 2.270 468 F HA 0.299 4.826 4.527 0.000 0.000 0.295 468 F C 1.711 177.511 175.800 0.000 0.000 1.087 468 F CA 1.483 59.480 58.000 -0.004 0.000 1.365 468 F CB 0.081 39.078 39.000 -0.005 0.000 1.056 468 F HN 0.396 nan 8.300 nan 0.000 0.506 469 G N 0.334 109.154 108.800 0.034 0.000 2.428 469 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.199 469 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.199 469 G C 0.252 175.185 174.900 0.055 0.000 1.005 469 G CA -0.048 45.019 45.100 -0.056 0.000 0.671 469 G HN 0.378 nan 8.290 nan 0.000 0.485 470 K N 0.445 120.977 120.400 0.220 0.000 2.482 470 K HA 0.697 5.017 4.320 -0.000 0.000 0.257 470 K C -0.098 176.665 176.600 0.272 0.000 0.969 470 K CA -0.172 56.254 56.287 0.231 0.000 0.842 470 K CB 2.264 34.905 32.500 0.235 0.000 1.359 470 K HN 0.389 nan 8.250 nan 0.000 0.441 471 S N 0.350 116.184 115.700 0.223 0.000 2.768 471 S HA 0.425 4.895 4.470 -0.000 0.000 0.300 471 S C 0.982 175.678 174.600 0.159 0.000 1.122 471 S CA -0.829 57.488 58.200 0.196 0.000 0.995 471 S CB 0.612 64.010 63.200 0.328 0.000 1.195 471 S HN 0.428 nan 8.310 nan 0.000 0.547 472 I N 1.107 121.746 120.570 0.115 0.000 2.270 472 I HA -0.003 4.167 4.170 -0.000 0.000 0.239 472 I C 1.508 177.720 176.117 0.159 0.000 1.080 472 I CA 1.000 62.351 61.300 0.085 0.000 1.383 472 I CB -1.356 36.656 38.000 0.021 0.000 1.097 472 I HN 0.654 nan 8.210 nan 0.000 0.420 473 N N -0.120 118.745 118.700 0.274 0.000 2.370 473 N HA 0.047 4.787 4.740 -0.000 0.000 0.198 473 N C -0.215 175.558 175.510 0.438 0.000 1.156 473 N CA 0.211 53.472 53.050 0.352 0.000 0.839 473 N CB 0.581 39.305 38.487 0.396 0.000 0.989 473 N HN 0.152 nan 8.380 nan 0.000 0.468 474 F N 0.000 120.056 119.950 0.176 0.000 2.286 474 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 474 F CA 0.000 57.991 58.000 -0.015 0.000 1.383 474 F CB 0.000 38.813 39.000 -0.312 0.000 1.145 474 F HN 0.000 nan 8.300 nan 0.000 0.574