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 3b8c_1_A DATA FIRST_RESID 12 DATA SEQUENCE VDLEKIPIEE VFQQLKCSRE GLTTQEGEDR IQIFGPNKLE EKKESKLLKF DATA SEQUENCE LGFMWNPLSW VMEMAAIMAI ALANGDGRPP DWQDFVGIIC LLVINSTISF DATA SEQUENCE IEENNAGNAA AALMAGLAPK TKVLRDGKWS EQEAAILVPG DIVSIKLGDI DATA SEQUENCE IPADARLLEG DPLKVDQSAL TGESLPVTKH PGQEVFSGST CKQGEIEAVV DATA SEQUENCE IATGVHTFFG KAAHLVDSTN QVGHFQKVLT AIGNFCICSI AIGMVIEIIV DATA SEQUENCE MYPIQRRKYR DGIDNLLVLL IGGIPIAMPT VLSVTMAIGS HRLSQQGAIT DATA SEQUENCE KRMTAIEEMA GMDVLCSDKT GTLTLNKLSV DKNLVEVFCK GVEKDQVLLF DATA SEQUENCE AAMASRVENQ DAIDAAMVGM LADPKEARAG IREVHFLPFN PVDKRTALTY DATA SEQUENCE IDGSGNWHRV SKGAPEQILE LAKASNDLSK KVLSIIDKYA ERGLRSLAVA DATA SEQUENCE RQVVPEKTKE SPGAPWEFVG LLPLFDPPRH DSAETIRRAL NLGVNVKMIT DATA SEQUENCE GDQLAIGKET GRRLGMGTNM YPSSALLGTH KDANLASIPV EELIEKADGF DATA SEQUENCE AGVFPEHKYE IVKKLQERKH IVGMTGDGVN DAPALKKADI GIAVADATDA DATA SEQUENCE ARGASDIVLT EPGLSVIISA VLTSRAIFQR MKNYTIYAVS ITIRIVFGFM DATA SEQUENCE LIALIWEFDF SAFMVLIIAI LNDGTIMTIS KDRVKPSPTP DSWKLKEIFA DATA SEQUENCE TGVVLGGYQA IMTVIFFWAA HKTDFFSDTF GVRSIRDNNH ELMGAVYLQV DATA SEQUENCE SIISQALIFV TRSRSWSFVE RPGALLMIAF LIAQLIATLI AVYANWEFAK DATA SEQUENCE IRGIGWGWAG VIWLYSIVTY FPLDVFKFAI RYI 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 12 V HA 0.000 nan 4.120 nan 0.000 0.244 12 V C 0.000 176.119 176.094 0.041 0.000 1.182 12 V CA 0.000 62.331 62.300 0.051 0.000 1.235 12 V CB 0.000 31.849 31.823 0.042 0.000 1.184 13 D N -0.183 120.243 120.400 0.043 0.000 2.879 13 D HA 0.565 5.202 4.640 -0.006 0.000 0.346 13 D C -0.879 175.443 176.300 0.038 0.000 1.390 13 D CA -0.326 53.695 54.000 0.036 0.000 0.838 13 D CB 1.344 42.163 40.800 0.032 0.000 1.416 13 D HN 0.277 nan 8.370 nan 0.000 0.493 14 L N 0.806 122.049 121.223 0.034 0.000 2.439 14 L HA 0.582 4.918 4.340 -0.006 0.000 0.259 14 L C 0.267 177.159 176.870 0.036 0.000 1.129 14 L CA -0.249 54.612 54.840 0.034 0.000 0.803 14 L CB 0.682 42.758 42.059 0.029 0.000 1.161 14 L HN 0.287 nan 8.230 nan 0.000 0.462 15 E N 1.774 121.997 120.200 0.040 0.000 2.307 15 E HA 0.179 4.525 4.350 -0.006 0.000 0.280 15 E C -1.180 175.448 176.600 0.046 0.000 0.900 15 E CA -0.503 55.922 56.400 0.041 0.000 0.790 15 E CB 1.357 31.084 29.700 0.046 0.000 1.261 15 E HN 0.502 nan 8.360 nan 0.000 0.405 16 K N 2.298 122.723 120.400 0.040 0.000 3.366 16 K HA -0.090 4.226 4.320 -0.006 0.000 0.285 16 K C 0.444 177.061 176.600 0.029 0.000 1.356 16 K CA 0.596 56.905 56.287 0.038 0.000 0.847 16 K CB -2.186 30.341 32.500 0.044 0.000 1.587 16 K HN 0.753 nan 8.250 nan 0.000 0.504 17 I N 1.057 121.643 120.570 0.027 0.000 3.579 17 I HA 0.125 4.291 4.170 -0.006 0.000 0.193 17 I C -1.439 174.691 176.117 0.022 0.000 1.486 17 I CA -1.804 59.509 61.300 0.022 0.000 0.696 17 I CB 0.238 38.252 38.000 0.023 0.000 1.866 17 I HN -0.148 nan 8.210 nan 0.000 0.928 18 P HA 0.021 nan 4.420 nan 0.000 0.264 18 P C 0.448 177.766 177.300 0.030 0.000 1.229 18 P CA 0.129 63.242 63.100 0.022 0.000 0.780 18 P CB 0.210 31.921 31.700 0.019 0.000 0.808 19 I N 2.785 123.373 120.570 0.030 0.000 2.208 19 I HA -0.185 3.981 4.170 -0.006 0.000 0.245 19 I C 1.788 177.930 176.117 0.041 0.000 1.097 19 I CA 1.436 62.756 61.300 0.035 0.000 1.363 19 I CB -1.181 36.840 38.000 0.035 0.000 1.051 19 I HN 0.425 nan 8.210 nan 0.000 0.413 20 E N 1.149 121.374 120.200 0.042 0.000 2.526 20 E HA -0.159 4.187 4.350 -0.006 0.000 0.205 20 E C 0.532 177.174 176.600 0.070 0.000 1.104 20 E CA 0.196 56.626 56.400 0.051 0.000 0.899 20 E CB -0.418 29.309 29.700 0.045 0.000 0.838 20 E HN 0.556 nan 8.360 nan 0.000 0.564 21 E N -0.053 120.189 120.200 0.069 0.000 2.229 21 E HA 0.134 4.481 4.350 -0.006 0.000 0.283 21 E C 0.533 177.200 176.600 0.111 0.000 1.030 21 E CA -0.362 56.097 56.400 0.099 0.000 0.836 21 E CB 1.236 30.981 29.700 0.075 0.000 1.068 21 E HN -0.184 nan 8.360 nan 0.000 0.401 22 V N 4.769 124.795 119.914 0.187 0.000 2.840 22 V HA -0.054 4.063 4.120 -0.006 0.000 0.234 22 V C 1.111 177.259 176.094 0.090 0.000 1.159 22 V CA 0.419 62.779 62.300 0.101 0.000 1.194 22 V CB -0.442 31.394 31.823 0.023 0.000 0.971 22 V HN 0.624 nan 8.190 nan 0.000 0.494 23 F N 2.078 122.028 119.950 0.000 0.000 1.991 23 F HA -0.237 4.287 4.527 -0.006 0.000 0.298 23 F C 2.892 178.691 175.800 -0.001 0.000 1.225 23 F CA 2.045 60.044 58.000 -0.001 0.000 1.187 23 F CB -1.459 37.541 39.000 0.000 0.000 0.954 23 F HN 0.182 nan 8.300 nan 0.000 0.510 24 Q N 0.812 120.753 119.800 0.235 0.000 2.234 24 Q HA -0.262 4.074 4.340 -0.006 0.000 0.206 24 Q C 1.893 177.939 176.000 0.077 0.000 0.980 24 Q CA 1.700 57.574 55.803 0.117 0.000 0.869 24 Q CB -1.049 27.738 28.738 0.082 0.000 0.912 24 Q HN 0.591 nan 8.270 nan 0.000 0.436 25 Q N 0.789 120.637 119.800 0.080 0.000 2.167 25 Q HA 0.111 4.448 4.340 -0.006 0.000 0.202 25 Q C 0.237 176.253 176.000 0.027 0.000 0.970 25 Q CA 0.944 56.776 55.803 0.049 0.000 0.855 25 Q CB 0.350 29.118 28.738 0.051 0.000 0.911 25 Q HN 0.395 nan 8.270 nan 0.000 0.438 26 L N 0.840 122.076 121.223 0.021 0.000 2.673 26 L HA 0.220 4.557 4.340 -0.006 0.000 0.255 26 L C -1.248 175.606 176.870 -0.026 0.000 1.015 26 L CA -0.652 54.183 54.840 -0.007 0.000 0.930 26 L CB 0.788 42.833 42.059 -0.023 0.000 1.185 26 L HN -0.103 nan 8.230 nan 0.000 0.457 27 K N 3.015 123.410 120.400 -0.009 0.000 2.355 27 K HA -0.215 4.102 4.320 -0.006 0.000 0.238 27 K C 0.389 176.938 176.600 -0.085 0.000 1.303 27 K CA 0.920 57.197 56.287 -0.017 0.000 1.264 27 K CB -0.929 31.563 32.500 -0.013 0.000 0.752 27 K HN 0.782 nan 8.250 nan 0.000 0.542 28 C N 2.632 121.829 119.300 -0.172 0.000 0.888 28 C HA -0.224 4.233 4.460 -0.006 0.000 0.510 28 C C -0.035 174.807 174.990 -0.247 0.000 1.142 28 C CA 0.824 59.605 59.018 -0.395 0.000 2.298 28 C CB -1.615 25.819 27.740 -0.510 0.000 3.387 28 C HN 0.663 nan 8.230 nan 0.000 0.232 29 S N 6.277 121.845 115.700 -0.221 0.000 2.548 29 S HA 0.259 4.725 4.470 -0.006 0.000 0.168 29 S C 0.262 174.791 174.600 -0.119 0.000 1.068 29 S CA -0.684 57.431 58.200 -0.141 0.000 1.129 29 S CB 0.602 63.742 63.200 -0.099 0.000 1.435 29 S HN 0.769 nan 8.310 nan 0.000 0.410 30 R N 1.449 121.874 120.500 -0.124 0.000 2.323 30 R HA 0.157 4.494 4.340 -0.006 0.000 0.198 30 R C 0.950 177.219 176.300 -0.051 0.000 0.988 30 R CA 0.690 56.740 56.100 -0.085 0.000 1.041 30 R CB -0.208 30.043 30.300 -0.082 0.000 0.926 30 R HN 0.574 nan 8.270 nan 0.000 0.476 31 E N -1.707 118.462 120.200 -0.052 0.000 3.823 31 E HA 0.263 4.609 4.350 -0.006 0.000 0.225 31 E C 0.310 176.888 176.600 -0.036 0.000 1.257 31 E CA 0.600 56.981 56.400 -0.031 0.000 1.684 31 E CB 0.241 29.926 29.700 -0.026 0.000 1.550 31 E HN 0.073 nan 8.360 nan 0.000 0.709 32 G N 2.026 110.797 108.800 -0.047 0.000 2.362 32 G HA2 0.074 4.030 3.960 -0.006 0.000 0.189 32 G HA3 0.074 4.030 3.960 -0.006 0.000 0.189 32 G C -0.785 174.085 174.900 -0.050 0.000 1.374 32 G CA -0.810 44.259 45.100 -0.050 0.000 1.140 32 G HN 0.021 nan 8.290 nan 0.000 0.611 33 L N 2.846 124.035 121.223 -0.057 0.000 2.652 33 L HA 0.207 4.543 4.340 -0.006 0.000 0.284 33 L C 1.002 177.840 176.870 -0.054 0.000 1.204 33 L CA 0.462 55.271 54.840 -0.052 0.000 1.105 33 L CB -0.587 41.440 42.059 -0.053 0.000 1.393 33 L HN 0.760 nan 8.230 nan 0.000 0.452 34 T N 0.876 115.401 114.554 -0.048 0.000 1.190 34 T HA -0.170 4.177 4.350 -0.006 0.000 0.698 34 T C 1.339 176.000 174.700 -0.065 0.000 0.975 34 T CA 0.740 62.809 62.100 -0.051 0.000 3.698 34 T CB -0.518 68.320 68.868 -0.050 0.000 2.099 34 T HN 0.806 nan 8.240 nan 0.000 0.381 35 T N 2.113 116.629 114.554 -0.062 0.000 2.869 35 T HA -0.179 4.168 4.350 -0.006 0.000 0.270 35 T C 1.954 176.593 174.700 -0.101 0.000 1.082 35 T CA 1.374 63.429 62.100 -0.075 0.000 1.123 35 T CB -0.011 68.820 68.868 -0.061 0.000 0.856 35 T HN 0.518 nan 8.240 nan 0.000 0.499 36 Q N 0.389 120.133 119.800 -0.093 0.000 2.163 36 Q HA -0.012 4.324 4.340 -0.006 0.000 0.198 36 Q C 2.301 178.220 176.000 -0.135 0.000 0.954 36 Q CA 0.898 56.634 55.803 -0.112 0.000 0.851 36 Q CB -0.003 28.688 28.738 -0.078 0.000 0.928 36 Q HN 0.475 nan 8.270 nan 0.000 0.459 37 E N -0.242 119.895 120.200 -0.105 0.000 2.012 37 E HA -0.134 4.212 4.350 -0.006 0.000 0.197 37 E C 1.867 178.387 176.600 -0.134 0.000 1.007 37 E CA 1.380 57.719 56.400 -0.102 0.000 0.816 37 E CB -0.594 29.062 29.700 -0.073 0.000 0.762 37 E HN 0.474 nan 8.360 nan 0.000 0.451 38 G N 1.304 110.028 108.800 -0.127 0.000 2.485 38 G HA2 -0.326 3.630 3.960 -0.006 0.000 0.221 38 G HA3 -0.326 3.630 3.960 -0.006 0.000 0.221 38 G C 1.468 176.233 174.900 -0.226 0.000 1.115 38 G CA 1.069 46.086 45.100 -0.138 0.000 0.751 38 G HN 0.327 nan 8.290 nan 0.000 0.567 39 E N 0.415 120.432 120.200 -0.305 0.000 2.001 39 E HA -0.158 4.189 4.350 -0.006 0.000 0.195 39 E C 2.033 178.063 176.600 -0.950 0.000 1.002 39 E CA 1.368 57.416 56.400 -0.587 0.000 0.819 39 E CB -0.114 29.293 29.700 -0.489 0.000 0.769 39 E HN 0.259 nan 8.360 nan 0.000 0.454 40 D N -0.269 119.761 120.400 -0.616 0.000 2.123 40 D HA -0.160 4.476 4.640 -0.006 0.000 0.196 40 D C 2.099 178.265 176.300 -0.223 0.000 0.992 40 D CA 0.947 54.699 54.000 -0.414 0.000 0.833 40 D CB -0.023 40.670 40.800 -0.177 0.000 0.954 40 D HN 0.059 nan 8.370 nan 0.000 0.455 41 R N 0.189 120.580 120.500 -0.181 0.000 2.066 41 R HA 0.012 4.348 4.340 -0.006 0.000 0.232 41 R C 0.708 176.978 176.300 -0.049 0.000 1.131 41 R CA 0.328 56.377 56.100 -0.084 0.000 0.955 41 R CB -0.727 29.529 30.300 -0.073 0.000 0.851 41 R HN 0.221 nan 8.270 nan 0.000 0.432 42 I N 3.777 124.291 120.570 -0.092 0.000 2.455 42 I HA -0.053 4.113 4.170 -0.006 0.000 0.303 42 I C 1.354 177.576 176.117 0.175 0.000 1.180 42 I CA 0.222 61.519 61.300 -0.005 0.000 1.469 42 I CB 0.310 38.290 38.000 -0.034 0.000 1.480 42 I HN 0.111 nan 8.210 nan 0.000 0.669 43 Q N 4.072 123.993 119.800 0.202 0.000 2.268 43 Q HA -0.136 4.200 4.340 -0.006 0.000 0.210 43 Q C 0.743 176.918 176.000 0.292 0.000 0.988 43 Q CA 1.067 57.057 55.803 0.313 0.000 0.883 43 Q CB 0.059 28.870 28.738 0.121 0.000 0.911 43 Q HN 0.565 nan 8.270 nan 0.000 0.430 44 I N 1.441 122.119 120.570 0.180 0.000 2.389 44 I HA 0.169 4.335 4.170 -0.006 0.000 0.295 44 I C -0.120 176.132 176.117 0.225 0.000 1.117 44 I CA 0.095 61.425 61.300 0.050 0.000 1.317 44 I CB -1.754 36.189 38.000 -0.095 0.000 1.431 44 I HN -0.067 nan 8.210 nan 0.000 0.521 45 F N 2.867 122.772 119.950 -0.075 0.000 2.728 45 F HA 0.662 5.186 4.527 -0.006 0.000 0.315 45 F C -0.253 175.521 175.800 -0.043 0.000 1.096 45 F CA -1.070 56.896 58.000 -0.057 0.000 0.997 45 F CB 0.264 39.234 39.000 -0.050 0.000 1.252 45 F HN 0.440 nan 8.300 nan 0.000 0.458 46 G N 0.930 109.709 108.800 -0.035 0.000 2.613 46 G HA2 0.645 4.601 3.960 -0.006 0.000 0.303 46 G HA3 0.645 4.601 3.960 -0.006 0.000 0.303 46 G C -2.620 172.298 174.900 0.031 0.000 1.312 46 G CA -2.134 43.026 45.100 0.100 0.000 1.036 46 G HN 0.481 nan 8.290 nan 0.000 0.513 47 P HA 0.030 nan 4.420 nan 0.000 0.269 47 P C 0.332 177.665 177.300 0.055 0.000 1.376 47 P CA -0.168 62.960 63.100 0.046 0.000 0.775 47 P CB -0.149 31.577 31.700 0.043 0.000 1.345 48 N N 0.843 119.557 118.700 0.023 0.000 2.188 48 N HA 0.022 4.758 4.740 -0.006 0.000 0.253 48 N C 0.595 176.107 175.510 0.004 0.000 1.260 48 N CA 0.580 53.633 53.050 0.004 0.000 0.915 48 N CB -0.096 38.375 38.487 -0.027 0.000 0.976 48 N HN -0.104 nan 8.380 nan 0.000 0.424 49 K N 0.849 121.226 120.400 -0.037 0.000 2.138 49 K HA 0.274 4.591 4.320 -0.006 0.000 0.263 49 K C -0.438 176.127 176.600 -0.058 0.000 0.965 49 K CA -0.490 55.761 56.287 -0.060 0.000 0.868 49 K CB 1.026 33.466 32.500 -0.099 0.000 1.083 49 K HN 0.390 nan 8.250 nan 0.000 0.443 50 L N 3.520 124.714 121.223 -0.048 0.000 2.376 50 L HA -0.006 4.331 4.340 -0.006 0.000 0.250 50 L C 0.519 177.339 176.870 -0.082 0.000 1.335 50 L CA 0.813 55.609 54.840 -0.073 0.000 1.214 50 L CB -0.233 41.787 42.059 -0.065 0.000 1.395 50 L HN 0.668 nan 8.230 nan 0.000 0.424 51 E N 0.472 120.620 120.200 -0.087 0.000 2.090 51 E HA -0.060 4.287 4.350 -0.006 0.000 0.208 51 E C 0.051 176.598 176.600 -0.088 0.000 1.032 51 E CA 0.082 56.431 56.400 -0.086 0.000 1.430 51 E CB 0.538 30.188 29.700 -0.084 0.000 3.680 51 E HN 0.474 nan 8.360 nan 0.000 1.007 52 E N 1.278 121.426 120.200 -0.087 0.000 2.883 52 E HA -0.241 4.106 4.350 -0.006 0.000 0.271 52 E C -0.196 176.357 176.600 -0.078 0.000 1.049 52 E CA 1.171 57.520 56.400 -0.086 0.000 0.817 52 E CB -1.320 28.323 29.700 -0.094 0.000 1.407 52 E HN 0.326 nan 8.360 nan 0.000 0.434 53 K N -0.972 119.382 120.400 -0.077 0.000 3.020 53 K HA -0.243 4.073 4.320 -0.006 0.000 0.266 53 K C 0.508 177.062 176.600 -0.077 0.000 1.067 53 K CA 1.291 57.534 56.287 -0.074 0.000 0.780 53 K CB -1.078 31.384 32.500 -0.064 0.000 1.220 53 K HN 0.213 nan 8.250 nan 0.000 0.483 54 K N 2.377 122.728 120.400 -0.083 0.000 3.477 54 K HA -0.062 4.255 4.320 -0.006 0.000 0.279 54 K C 0.517 177.060 176.600 -0.096 0.000 0.686 54 K CA 0.579 56.816 56.287 -0.084 0.000 0.960 54 K CB -0.322 32.127 32.500 -0.085 0.000 1.008 54 K HN 0.200 nan 8.250 nan 0.000 0.368 55 E N -0.811 119.334 120.200 -0.091 0.000 2.718 55 E HA -0.009 4.337 4.350 -0.006 0.000 0.263 55 E C 0.189 176.739 176.600 -0.083 0.000 1.434 55 E CA 0.303 56.642 56.400 -0.103 0.000 1.106 55 E CB 0.516 30.168 29.700 -0.081 0.000 1.029 55 E HN 0.252 nan 8.360 nan 0.000 0.631 56 S N 0.749 116.412 115.700 -0.061 0.000 2.631 56 S HA -0.002 4.464 4.470 -0.006 0.000 0.217 56 S C -0.134 174.473 174.600 0.012 0.000 0.958 56 S CA -0.025 58.180 58.200 0.008 0.000 0.920 56 S CB 0.120 63.408 63.200 0.147 0.000 0.776 56 S HN 0.342 nan 8.310 nan 0.000 0.517 57 K N 0.596 120.986 120.400 -0.016 0.000 2.960 57 K HA -0.208 4.108 4.320 -0.006 0.000 0.259 57 K C 0.110 176.700 176.600 -0.016 0.000 1.025 57 K CA 0.370 56.646 56.287 -0.019 0.000 0.756 57 K CB -2.298 30.192 32.500 -0.016 0.000 1.221 57 K HN 0.600 nan 8.250 nan 0.000 0.483 58 L N -0.359 120.856 121.223 -0.013 0.000 3.746 58 L HA -0.254 4.083 4.340 -0.006 0.000 0.542 58 L C 1.063 177.908 176.870 -0.042 0.000 1.268 58 L CA 0.190 55.007 54.840 -0.039 0.000 0.818 58 L CB -0.547 41.468 42.059 -0.073 0.000 1.472 58 L HN 0.374 nan 8.230 nan 0.000 0.843 59 L N 0.708 121.932 121.223 0.001 0.000 2.456 59 L HA -0.141 4.195 4.340 -0.006 0.000 0.224 59 L C 1.751 178.581 176.870 -0.067 0.000 1.148 59 L CA 1.216 56.054 54.840 -0.004 0.000 0.825 59 L CB -0.168 41.918 42.059 0.045 0.000 0.937 59 L HN 0.620 nan 8.230 nan 0.000 0.450 60 K N -2.938 117.383 120.400 -0.131 0.000 0.979 60 K HA 0.004 4.320 4.320 -0.006 0.000 0.063 60 K C -0.084 176.267 176.600 -0.415 0.000 2.397 60 K CA -0.075 55.971 56.287 -0.402 0.000 0.955 60 K CB -0.683 31.516 32.500 -0.502 0.000 2.674 60 K HN -0.110 nan 8.250 nan 0.000 0.318 61 F N 2.854 122.701 119.950 -0.171 0.000 2.642 61 F HA -0.032 4.491 4.527 -0.006 0.000 0.371 61 F C 2.039 177.716 175.800 -0.205 0.000 1.120 61 F CA 1.743 59.685 58.000 -0.098 0.000 1.331 61 F CB 0.187 39.160 39.000 -0.046 0.000 1.044 61 F HN 0.176 nan 8.300 nan 0.000 0.594 62 L N 1.787 123.056 121.223 0.078 0.000 5.075 62 L HA -0.300 4.037 4.340 -0.006 0.000 0.446 62 L C 1.480 177.982 176.870 -0.614 0.000 1.069 62 L CA 1.303 56.006 54.840 -0.228 0.000 0.993 62 L CB -1.683 40.273 42.059 -0.170 0.000 1.846 62 L HN 0.853 nan 8.230 nan 0.000 0.798 63 G N -2.224 106.279 108.800 -0.494 0.000 3.496 63 G HA2 0.379 4.335 3.960 -0.006 0.000 0.273 63 G HA3 0.379 4.335 3.960 -0.006 0.000 0.273 63 G C 0.398 174.967 174.900 -0.551 0.000 1.279 63 G CA 0.078 44.897 45.100 -0.469 0.000 1.041 63 G HN 0.292 nan 8.290 nan 0.000 0.539 64 F N -1.305 118.392 119.950 -0.421 0.000 3.064 64 F HA 0.322 4.843 4.527 -0.009 0.000 0.384 64 F C 1.130 176.742 175.800 -0.313 0.000 1.083 64 F CA -1.148 56.623 58.000 -0.380 0.000 1.037 64 F CB -0.068 38.777 39.000 -0.258 0.000 1.322 64 F HN 0.022 nan 8.300 nan 0.000 0.535 65 M N 1.237 120.599 119.600 -0.398 0.000 3.156 65 M HA -0.196 4.281 4.480 -0.006 0.000 0.321 65 M C 0.819 177.382 176.300 0.439 0.000 1.774 65 M CA 0.621 55.883 55.300 -0.063 0.000 1.526 65 M CB -0.585 31.802 32.600 -0.355 0.000 1.845 65 M HN 0.330 nan 8.290 nan 0.000 0.476 66 W N 1.759 123.430 121.300 0.617 0.000 2.658 66 W HA -0.008 4.645 4.660 -0.012 0.000 0.263 66 W C 0.394 177.251 176.519 0.564 0.000 1.274 66 W CA 0.018 57.741 57.345 0.629 0.000 1.343 66 W CB -0.158 29.609 29.460 0.511 0.000 1.106 66 W HN 0.561 nan 8.180 nan 0.000 0.615 67 N N -0.824 118.184 118.700 0.513 0.000 2.470 67 N HA -0.189 4.547 4.740 -0.006 0.000 0.292 67 N C -2.594 172.958 175.510 0.071 0.000 1.531 67 N CA 0.543 53.629 53.050 0.058 0.000 0.780 67 N CB -0.938 37.629 38.487 0.134 0.000 0.975 67 N HN -0.137 nan 8.380 nan 0.000 0.466 68 P HA -0.098 nan 4.420 nan 0.000 0.304 68 P C 0.630 177.979 177.300 0.081 0.000 1.487 68 P CA 0.733 63.868 63.100 0.059 0.000 0.753 68 P CB -0.055 31.570 31.700 -0.125 0.000 1.663 69 L N -2.665 118.628 121.223 0.117 0.000 2.470 69 L HA 0.136 4.472 4.340 -0.006 0.000 0.219 69 L C 1.149 178.094 176.870 0.126 0.000 1.071 69 L CA 0.981 55.876 54.840 0.092 0.000 0.850 69 L CB 0.232 42.343 42.059 0.088 0.000 1.040 69 L HN -0.197 nan 8.230 nan 0.000 0.475 70 S N -1.919 113.904 115.700 0.206 0.000 2.828 70 S HA 0.108 4.574 4.470 -0.006 0.000 0.240 70 S C -0.219 174.524 174.600 0.239 0.000 0.912 70 S CA -0.531 57.780 58.200 0.185 0.000 1.100 70 S CB 0.170 63.479 63.200 0.183 0.000 1.271 70 S HN 0.321 nan 8.310 nan 0.000 0.476 71 W N 0.214 121.532 121.300 0.029 0.000 2.952 71 W HA 0.233 4.885 4.660 -0.014 0.000 0.251 71 W C 1.652 178.138 176.519 -0.055 0.000 1.144 71 W CA 0.312 57.658 57.345 0.003 0.000 1.551 71 W CB -0.131 29.375 29.460 0.076 0.000 0.978 71 W HN 0.172 nan 8.180 nan 0.000 0.648 72 V N 1.175 121.229 119.914 0.233 0.000 2.244 72 V HA -0.267 3.850 4.120 -0.006 0.000 0.244 72 V C 1.769 177.878 176.094 0.025 0.000 1.042 72 V CA 1.702 64.070 62.300 0.114 0.000 1.006 72 V CB -0.807 31.074 31.823 0.097 0.000 0.641 72 V HN 0.010 nan 8.190 nan 0.000 0.446 73 M N 0.754 120.365 119.600 0.019 0.000 2.631 73 M HA 0.145 4.621 4.480 -0.006 0.000 0.241 73 M C 1.486 177.749 176.300 -0.062 0.000 1.255 73 M CA 0.465 55.755 55.300 -0.016 0.000 0.983 73 M CB -0.381 32.219 32.600 -0.000 0.000 1.580 73 M HN 0.659 nan 8.290 nan 0.000 0.464 74 E N 0.465 120.598 120.200 -0.112 0.000 2.364 74 E HA 0.078 4.424 4.350 -0.006 0.000 0.203 74 E C 1.783 178.249 176.600 -0.224 0.000 0.888 74 E CA 0.072 56.333 56.400 -0.232 0.000 0.989 74 E CB 0.219 29.670 29.700 -0.415 0.000 0.985 74 E HN 0.390 nan 8.360 nan 0.000 0.499 75 M N 1.368 120.867 119.600 -0.169 0.000 2.073 75 M HA 0.067 4.543 4.480 -0.006 0.000 0.259 75 M C 2.352 178.602 176.300 -0.083 0.000 1.079 75 M CA 1.686 56.903 55.300 -0.139 0.000 1.131 75 M CB -0.262 32.277 32.600 -0.101 0.000 1.316 75 M HN 0.275 nan 8.290 nan 0.000 0.415 76 A N -0.022 122.765 122.820 -0.054 0.000 2.277 76 A HA 0.136 4.452 4.320 -0.006 0.000 0.208 76 A C 1.924 179.485 177.584 -0.039 0.000 1.202 76 A CA 1.372 53.387 52.037 -0.037 0.000 0.762 76 A CB -0.769 18.217 19.000 -0.024 0.000 0.770 76 A HN 0.560 nan 8.150 nan 0.000 0.487 77 A N -0.539 122.246 122.820 -0.058 0.000 2.014 77 A HA 0.232 4.548 4.320 -0.006 0.000 0.210 77 A C 1.646 179.205 177.584 -0.042 0.000 1.188 77 A CA 0.591 52.592 52.037 -0.059 0.000 0.731 77 A CB -0.112 18.833 19.000 -0.092 0.000 0.858 77 A HN 0.357 nan 8.150 nan 0.000 0.464 78 I N -0.220 120.332 120.570 -0.029 0.000 2.676 78 I HA -0.091 4.076 4.170 -0.006 0.000 0.259 78 I C 1.386 177.526 176.117 0.038 0.000 1.194 78 I CA 1.026 62.366 61.300 0.068 0.000 1.473 78 I CB -1.133 36.945 38.000 0.130 0.000 1.096 78 I HN 0.212 nan 8.210 nan 0.000 0.443 79 M N 0.631 120.229 119.600 -0.003 0.000 2.748 79 M HA 0.009 4.486 4.480 -0.006 0.000 0.241 79 M C 2.027 178.317 176.300 -0.016 0.000 1.080 79 M CA 0.344 55.635 55.300 -0.015 0.000 1.068 79 M CB -1.301 31.287 32.600 -0.021 0.000 1.536 79 M HN 0.195 nan 8.290 nan 0.000 0.540 80 A N -0.088 122.725 122.820 -0.010 0.000 1.874 80 A HA 0.054 4.370 4.320 -0.006 0.000 0.214 80 A C 1.570 179.131 177.584 -0.038 0.000 1.189 80 A CA 0.841 52.870 52.037 -0.013 0.000 0.615 80 A CB -0.101 18.896 19.000 -0.005 0.000 0.830 80 A HN 0.344 nan 8.150 nan 0.000 0.443 81 I N -0.125 120.405 120.570 -0.066 0.000 3.832 81 I HA 0.232 4.399 4.170 -0.006 0.000 0.324 81 I C 1.045 177.083 176.117 -0.132 0.000 1.447 81 I CA 0.821 62.027 61.300 -0.157 0.000 1.242 81 I CB -0.736 37.066 38.000 -0.331 0.000 1.212 81 I HN 0.349 nan 8.210 nan 0.000 0.415 82 A N 0.632 123.413 122.820 -0.066 0.000 2.674 82 A HA 0.502 4.818 4.320 -0.006 0.000 0.274 82 A C 0.748 178.331 177.584 -0.001 0.000 1.065 82 A CA -0.003 52.010 52.037 -0.040 0.000 0.978 82 A CB 0.362 19.341 19.000 -0.035 0.000 1.242 82 A HN 0.335 nan 8.150 nan 0.000 0.583 83 L N -1.563 119.665 121.223 0.008 0.000 3.695 83 L HA 0.498 4.834 4.340 -0.006 0.000 0.349 83 L C 0.450 177.367 176.870 0.078 0.000 1.304 83 L CA 0.691 55.562 54.840 0.051 0.000 1.078 83 L CB 1.275 43.334 42.059 0.001 0.000 1.440 83 L HN 0.398 nan 8.230 nan 0.000 0.620 84 A N 0.791 123.637 122.820 0.043 0.000 2.240 84 A HA 0.113 4.429 4.320 -0.006 0.000 0.225 84 A C -0.723 176.853 177.584 -0.012 0.000 2.778 84 A CA -0.581 51.479 52.037 0.039 0.000 1.834 84 A CB -0.787 18.238 19.000 0.042 0.000 0.363 84 A HN 0.236 nan 8.150 nan 0.000 0.767 85 N N 0.993 119.670 118.700 -0.038 0.000 2.437 85 N HA 0.430 5.166 4.740 -0.006 0.000 0.243 85 N C 0.408 175.881 175.510 -0.061 0.000 1.041 85 N CA 0.155 53.156 53.050 -0.083 0.000 0.940 85 N CB 1.120 39.520 38.487 -0.145 0.000 1.133 85 N HN 0.478 nan 8.380 nan 0.000 0.506 86 G N 1.750 110.520 108.800 -0.051 0.000 2.469 86 G HA2 -0.026 3.930 3.960 -0.006 0.000 0.293 86 G HA3 -0.026 3.930 3.960 -0.006 0.000 0.293 86 G C -0.248 174.633 174.900 -0.031 0.000 0.982 86 G CA -0.321 44.758 45.100 -0.036 0.000 1.401 86 G HN 0.722 nan 8.290 nan 0.000 0.453 87 D N 1.735 122.119 120.400 -0.027 0.000 2.255 87 D HA 0.429 5.066 4.640 -0.006 0.000 0.249 87 D C 1.251 177.553 176.300 0.004 0.000 1.078 87 D CA 0.742 54.736 54.000 -0.010 0.000 0.896 87 D CB 1.378 42.169 40.800 -0.015 0.000 1.194 87 D HN 0.605 nan 8.370 nan 0.000 0.429 88 G N 3.299 112.113 108.800 0.023 0.000 2.195 88 G HA2 -0.195 3.761 3.960 -0.006 0.000 0.246 88 G HA3 -0.195 3.761 3.960 -0.006 0.000 0.246 88 G C 0.362 175.272 174.900 0.015 0.000 0.984 88 G CA -0.183 44.928 45.100 0.018 0.000 0.633 88 G HN 0.535 nan 8.290 nan 0.000 0.525 89 R N -0.010 120.500 120.500 0.018 0.000 2.664 89 R HA 0.541 4.877 4.340 -0.006 0.000 0.286 89 R C -2.330 173.988 176.300 0.030 0.000 0.967 89 R CA -1.742 54.365 56.100 0.011 0.000 0.933 89 R CB 1.271 31.569 30.300 -0.004 0.000 1.146 89 R HN 0.018 nan 8.270 nan 0.000 0.468 90 P HA 0.225 nan 4.420 nan 0.000 0.249 90 P C -1.807 175.510 177.300 0.028 0.000 1.583 90 P CA -0.784 62.332 63.100 0.027 0.000 0.988 90 P CB -0.099 31.600 31.700 -0.001 0.000 1.530 91 P HA -0.012 nan 4.420 nan 0.000 0.217 91 P C -0.508 176.847 177.300 0.091 0.000 1.235 91 P CA 1.006 64.133 63.100 0.045 0.000 0.726 91 P CB 0.032 31.754 31.700 0.036 0.000 0.664 92 D N -1.804 118.652 120.400 0.092 0.000 2.542 92 D HA 0.048 4.685 4.640 -0.006 0.000 0.252 92 D C 0.335 176.723 176.300 0.146 0.000 1.222 92 D CA -0.476 53.584 54.000 0.100 0.000 0.895 92 D CB 0.205 41.001 40.800 -0.007 0.000 1.207 92 D HN 0.347 nan 8.370 nan 0.000 0.558 93 W N 3.221 124.532 121.300 0.019 0.000 2.336 93 W HA -0.199 4.457 4.660 -0.006 0.000 0.277 93 W C 1.078 177.653 176.519 0.093 0.000 1.211 93 W CA 1.257 58.633 57.345 0.052 0.000 1.187 93 W CB 0.208 29.703 29.460 0.059 0.000 1.132 93 W HN 0.537 nan 8.180 nan 0.000 0.562 94 Q N -0.062 119.886 119.800 0.247 0.000 2.442 94 Q HA -0.184 4.152 4.340 -0.006 0.000 0.185 94 Q C 0.641 176.746 176.000 0.175 0.000 0.869 94 Q CA 1.096 57.023 55.803 0.206 0.000 1.064 94 Q CB -0.396 28.424 28.738 0.137 0.000 1.087 94 Q HN 0.098 nan 8.270 nan 0.000 0.532 95 D N -0.261 120.196 120.400 0.095 0.000 2.431 95 D HA -0.003 4.633 4.640 -0.006 0.000 0.227 95 D C 1.052 177.375 176.300 0.038 0.000 1.030 95 D CA -0.048 53.989 54.000 0.062 0.000 0.897 95 D CB 0.037 40.851 40.800 0.024 0.000 1.058 95 D HN 0.395 nan 8.370 nan 0.000 0.500 96 F N 1.472 121.359 119.950 -0.105 0.000 2.128 96 F HA -0.094 4.434 4.527 0.002 0.000 0.295 96 F C 1.837 177.645 175.800 0.014 0.000 1.100 96 F CA 1.519 59.469 58.000 -0.082 0.000 1.260 96 F CB -0.520 38.397 39.000 -0.138 0.000 1.009 96 F HN -0.126 nan 8.300 nan 0.000 0.476 97 V N -0.117 119.747 119.914 -0.083 0.000 3.444 97 V HA 0.196 4.313 4.120 -0.006 0.000 0.271 97 V C 2.125 178.158 176.094 -0.101 0.000 1.188 97 V CA 1.268 63.455 62.300 -0.188 0.000 1.168 97 V CB -1.403 30.541 31.823 0.201 0.000 0.810 97 V HN 0.428 nan 8.190 nan 0.000 0.500 98 G N 0.860 109.629 108.800 -0.052 0.000 2.408 98 G HA2 -0.099 3.857 3.960 -0.006 0.000 0.217 98 G HA3 -0.099 3.857 3.960 -0.006 0.000 0.217 98 G C 1.363 176.187 174.900 -0.126 0.000 1.150 98 G CA 1.356 46.433 45.100 -0.037 0.000 0.776 98 G HN 0.501 nan 8.290 nan 0.000 0.542 99 I N 0.065 120.517 120.570 -0.196 0.000 2.628 99 I HA 0.173 4.340 4.170 -0.006 0.000 0.255 99 I C 2.421 178.375 176.117 -0.272 0.000 1.119 99 I CA 0.155 61.325 61.300 -0.217 0.000 1.448 99 I CB -0.838 37.032 38.000 -0.217 0.000 1.133 99 I HN 0.059 nan 8.210 nan 0.000 0.438 100 I N 0.884 121.196 120.570 -0.431 0.000 2.454 100 I HA -0.261 3.905 4.170 -0.006 0.000 0.254 100 I C 2.657 178.686 176.117 -0.147 0.000 1.156 100 I CA 1.168 62.246 61.300 -0.369 0.000 1.433 100 I CB -0.332 37.328 38.000 -0.567 0.000 1.082 100 I HN 0.241 nan 8.210 nan 0.000 0.432 101 C N -0.269 118.956 119.300 -0.125 0.000 2.489 101 C HA -0.102 4.354 4.460 -0.006 0.000 0.279 101 C C 2.827 177.810 174.990 -0.013 0.000 1.266 101 C CA 0.929 59.926 59.018 -0.035 0.000 1.707 101 C CB -1.294 26.430 27.740 -0.026 0.000 2.059 101 C HN 0.636 nan 8.230 nan 0.000 0.481 102 L N 0.890 122.085 121.223 -0.047 0.000 2.137 102 L HA -0.111 4.225 4.340 -0.006 0.000 0.213 102 L C 1.381 178.278 176.870 0.047 0.000 1.085 102 L CA 2.154 56.982 54.840 -0.021 0.000 0.760 102 L CB -0.486 41.539 42.059 -0.055 0.000 0.893 102 L HN 0.394 nan 8.230 nan 0.000 0.434 103 L N -0.775 120.496 121.223 0.079 0.000 2.848 103 L HA 0.177 4.513 4.340 -0.006 0.000 0.240 103 L C 0.599 177.708 176.870 0.398 0.000 1.232 103 L CA -0.476 54.542 54.840 0.297 0.000 1.031 103 L CB 0.348 42.532 42.059 0.208 0.000 1.338 103 L HN 0.018 nan 8.230 nan 0.000 0.509 104 V N -0.494 119.539 119.914 0.199 0.000 3.337 104 V HA 0.159 4.275 4.120 -0.006 0.000 0.307 104 V C 1.426 177.565 176.094 0.076 0.000 1.505 104 V CA 0.160 62.557 62.300 0.162 0.000 1.072 104 V CB 1.078 32.991 31.823 0.150 0.000 0.929 104 V HN 0.296 nan 8.190 nan 0.000 0.455 105 I N -0.338 120.267 120.570 0.058 0.000 3.526 105 I HA 0.140 4.307 4.170 -0.006 0.000 0.294 105 I C 1.739 177.838 176.117 -0.031 0.000 1.229 105 I CA 0.910 62.222 61.300 0.019 0.000 1.408 105 I CB -0.582 37.435 38.000 0.027 0.000 1.127 105 I HN 0.341 nan 8.210 nan 0.000 0.439 106 N N 0.609 119.293 118.700 -0.026 0.000 2.416 106 N HA -0.084 4.652 4.740 -0.006 0.000 0.177 106 N C 1.472 176.702 175.510 -0.466 0.000 1.036 106 N CA 0.436 53.392 53.050 -0.155 0.000 0.901 106 N CB 0.255 38.731 38.487 -0.019 0.000 0.976 106 N HN 0.067 nan 8.380 nan 0.000 0.444 107 S N -0.157 115.355 115.700 -0.312 0.000 2.840 107 S HA 0.126 4.593 4.470 -0.006 0.000 0.235 107 S C 0.680 175.156 174.600 -0.206 0.000 0.968 107 S CA 0.131 58.108 58.200 -0.370 0.000 1.026 107 S CB -0.047 63.105 63.200 -0.080 0.000 0.788 107 S HN 0.141 nan 8.310 nan 0.000 0.487 108 T N 0.767 115.191 114.554 -0.218 0.000 3.236 108 T HA 0.310 4.656 4.350 -0.006 0.000 0.146 108 T C 0.937 175.572 174.700 -0.108 0.000 0.898 108 T CA -0.274 61.764 62.100 -0.104 0.000 0.882 108 T CB -0.293 68.549 68.868 -0.043 0.000 1.609 108 T HN 0.168 nan 8.240 nan 0.000 0.316 109 I N 2.615 123.137 120.570 -0.080 0.000 3.233 109 I HA 0.007 4.173 4.170 -0.006 0.000 0.287 109 I C 1.722 177.788 176.117 -0.085 0.000 1.329 109 I CA 0.964 62.232 61.300 -0.054 0.000 1.385 109 I CB -1.498 36.489 38.000 -0.021 0.000 1.053 109 I HN 0.231 nan 8.210 nan 0.000 0.525 110 S N 0.609 116.195 115.700 -0.189 0.000 3.037 110 S HA 0.112 4.578 4.470 -0.006 0.000 0.173 110 S C 1.170 175.724 174.600 -0.076 0.000 0.681 110 S CA -0.157 57.908 58.200 -0.224 0.000 0.807 110 S CB -0.082 62.797 63.200 -0.535 0.000 0.789 110 S HN 0.160 nan 8.310 nan 0.000 0.637 111 F N 2.167 122.094 119.950 -0.039 0.000 2.729 111 F HA 0.294 4.822 4.527 0.000 0.000 0.299 111 F C 1.400 177.171 175.800 -0.048 0.000 1.292 111 F CA -0.335 57.632 58.000 -0.056 0.000 1.450 111 F CB -0.729 38.209 39.000 -0.104 0.000 1.109 111 F HN 0.184 nan 8.300 nan 0.000 0.561 112 I N -0.165 120.445 120.570 0.065 0.000 3.445 112 I HA 0.045 4.211 4.170 -0.006 0.000 0.288 112 I C 1.211 177.351 176.117 0.038 0.000 1.198 112 I CA 0.588 61.910 61.300 0.036 0.000 1.417 112 I CB -0.223 37.780 38.000 0.005 0.000 1.205 112 I HN -0.035 nan 8.210 nan 0.000 0.448 113 E N 1.515 121.738 120.200 0.038 0.000 2.651 113 E HA -0.061 4.286 4.350 -0.006 0.000 0.236 113 E C 0.966 177.596 176.600 0.050 0.000 1.422 113 E CA 0.403 56.826 56.400 0.038 0.000 1.534 113 E CB -0.143 29.575 29.700 0.029 0.000 1.381 113 E HN 0.382 nan 8.360 nan 0.000 0.435 114 E N -1.339 118.890 120.200 0.050 0.000 2.617 114 E HA 0.044 4.391 4.350 -0.006 0.000 0.208 114 E C 0.848 177.463 176.600 0.025 0.000 0.888 114 E CA -0.026 56.399 56.400 0.040 0.000 1.485 114 E CB 0.234 29.965 29.700 0.051 0.000 1.482 114 E HN 0.090 nan 8.360 nan 0.000 0.813 115 N N 1.177 119.893 118.700 0.027 0.000 2.392 115 N HA 0.018 4.754 4.740 -0.006 0.000 0.177 115 N C 1.206 176.730 175.510 0.024 0.000 1.066 115 N CA 0.697 53.759 53.050 0.019 0.000 0.895 115 N CB 0.151 38.648 38.487 0.017 0.000 0.988 115 N HN 0.094 nan 8.380 nan 0.000 0.457 116 N N -1.082 117.635 118.700 0.029 0.000 2.388 116 N HA 0.170 4.906 4.740 -0.006 0.000 0.176 116 N C 1.251 176.783 175.510 0.037 0.000 1.062 116 N CA 0.524 53.594 53.050 0.033 0.000 0.895 116 N CB 0.241 38.746 38.487 0.030 0.000 1.018 116 N HN 0.156 nan 8.380 nan 0.000 0.456 117 A N 0.135 122.973 122.820 0.030 0.000 1.864 117 A HA 0.246 4.562 4.320 -0.006 0.000 0.213 117 A C 2.170 179.754 177.584 0.001 0.000 1.266 117 A CA 1.012 53.061 52.037 0.021 0.000 0.612 117 A CB -1.395 17.619 19.000 0.024 0.000 0.940 117 A HN 0.318 nan 8.150 nan 0.000 0.463 118 G N 0.478 109.278 108.800 -0.002 0.000 2.581 118 G HA2 -0.348 3.608 3.960 -0.006 0.000 0.223 118 G HA3 -0.348 3.608 3.960 -0.006 0.000 0.223 118 G C 1.240 176.128 174.900 -0.020 0.000 1.094 118 G CA 1.416 46.507 45.100 -0.015 0.000 0.736 118 G HN 0.482 nan 8.290 nan 0.000 0.588 119 N N 1.031 119.731 118.700 0.000 0.000 2.192 119 N HA -0.115 4.621 4.740 -0.006 0.000 0.188 119 N C 2.415 177.921 175.510 -0.006 0.000 1.013 119 N CA 1.342 54.403 53.050 0.019 0.000 0.863 119 N CB -0.405 38.114 38.487 0.054 0.000 0.990 119 N HN 0.391 nan 8.380 nan 0.000 0.430 120 A N 0.630 123.395 122.820 -0.092 0.000 1.929 120 A HA 0.178 4.494 4.320 -0.006 0.000 0.216 120 A C 2.204 179.650 177.584 -0.229 0.000 1.176 120 A CA 1.333 53.150 52.037 -0.366 0.000 0.628 120 A CB -0.682 17.987 19.000 -0.552 0.000 0.816 120 A HN 0.259 nan 8.150 nan 0.000 0.444 121 A N -0.187 122.559 122.820 -0.124 0.000 2.245 121 A HA 0.183 4.500 4.320 -0.006 0.000 0.217 121 A C 2.103 179.652 177.584 -0.058 0.000 1.171 121 A CA 1.780 53.769 52.037 -0.079 0.000 0.688 121 A CB -0.758 18.212 19.000 -0.049 0.000 0.781 121 A HN 0.856 nan 8.150 nan 0.000 0.479 122 A N 0.048 122.837 122.820 -0.053 0.000 1.861 122 A HA 0.300 4.617 4.320 -0.006 0.000 0.214 122 A C 2.506 180.078 177.584 -0.021 0.000 1.322 122 A CA 1.586 53.609 52.037 -0.024 0.000 0.601 122 A CB -1.496 17.503 19.000 -0.001 0.000 0.966 122 A HN 1.204 nan 8.150 nan 0.000 0.471 123 A N -0.617 122.199 122.820 -0.006 0.000 1.940 123 A HA -0.158 4.159 4.320 -0.006 0.000 0.221 123 A C 2.135 179.713 177.584 -0.011 0.000 1.190 123 A CA 1.980 54.023 52.037 0.009 0.000 0.647 123 A CB -0.807 18.225 19.000 0.052 0.000 0.821 123 A HN 0.497 nan 8.150 nan 0.000 0.457 124 L N -2.384 118.815 121.223 -0.041 0.000 1.972 124 L HA -0.038 4.298 4.340 -0.006 0.000 0.209 124 L C 2.424 179.276 176.870 -0.030 0.000 1.125 124 L CA 1.251 56.066 54.840 -0.041 0.000 0.784 124 L CB -0.858 41.158 42.059 -0.072 0.000 0.902 124 L HN 0.301 nan 8.230 nan 0.000 0.444 125 M N -0.009 119.569 119.600 -0.037 0.000 2.771 125 M HA -0.112 4.365 4.480 -0.006 0.000 0.246 125 M C 1.373 177.660 176.300 -0.023 0.000 1.054 125 M CA 0.982 56.265 55.300 -0.028 0.000 1.068 125 M CB -0.386 32.196 32.600 -0.031 0.000 1.452 125 M HN 0.374 nan 8.290 nan 0.000 0.549 126 A N -1.374 121.434 122.820 -0.021 0.000 2.287 126 A HA 0.464 4.780 4.320 -0.006 0.000 0.214 126 A C 1.816 179.393 177.584 -0.012 0.000 1.228 126 A CA 0.257 52.285 52.037 -0.016 0.000 0.939 126 A CB -0.237 18.755 19.000 -0.013 0.000 0.992 126 A HN 0.412 nan 8.150 nan 0.000 0.502 127 G N 0.264 109.058 108.800 -0.011 0.000 3.424 127 G HA2 0.400 4.356 3.960 -0.006 0.000 0.263 127 G HA3 0.400 4.356 3.960 -0.006 0.000 0.263 127 G C 0.678 175.573 174.900 -0.008 0.000 1.310 127 G CA 0.805 45.900 45.100 -0.008 0.000 1.089 127 G HN 0.675 nan 8.290 nan 0.000 0.534 128 L N -3.890 117.328 121.223 -0.009 0.000 3.617 128 L HA 0.542 4.879 4.340 -0.006 0.000 0.336 128 L C 1.222 178.089 176.870 -0.005 0.000 1.141 128 L CA -0.358 54.478 54.840 -0.006 0.000 1.225 128 L CB -0.187 41.869 42.059 -0.004 0.000 1.725 128 L HN -0.067 nan 8.230 nan 0.000 0.621 129 A N 2.579 125.395 122.820 -0.006 0.000 2.515 129 A HA 0.224 4.541 4.320 -0.006 0.000 0.276 129 A C -1.508 176.077 177.584 0.002 0.000 1.104 129 A CA -0.521 51.515 52.037 -0.002 0.000 0.822 129 A CB -1.074 17.923 19.000 -0.005 0.000 1.016 129 A HN 0.246 nan 8.150 nan 0.000 0.530 130 P HA -0.202 nan 4.420 nan 0.000 0.050 130 P C -0.197 177.104 177.300 0.001 0.000 0.808 130 P CA 0.977 64.085 63.100 0.014 0.000 1.000 130 P CB -1.040 30.682 31.700 0.037 0.000 1.827 131 K N -1.040 119.353 120.400 -0.012 0.000 2.604 131 K HA -0.098 4.219 4.320 -0.006 0.000 0.278 131 K C 1.470 178.047 176.600 -0.038 0.000 0.975 131 K CA 0.744 57.015 56.287 -0.028 0.000 1.066 131 K CB -0.141 32.336 32.500 -0.038 0.000 0.840 131 K HN 0.160 nan 8.250 nan 0.000 0.491 132 T N 2.306 116.831 114.554 -0.049 0.000 2.983 132 T HA -0.015 4.332 4.350 -0.006 0.000 0.250 132 T C -0.340 174.298 174.700 -0.102 0.000 1.037 132 T CA 0.175 62.239 62.100 -0.059 0.000 1.142 132 T CB -0.012 68.827 68.868 -0.049 0.000 0.876 132 T HN 0.669 nan 8.240 nan 0.000 0.455 133 K N 1.144 121.461 120.400 -0.139 0.000 3.241 133 K HA -0.101 4.215 4.320 -0.006 0.000 0.270 133 K C -0.012 176.432 176.600 -0.259 0.000 1.118 133 K CA -0.069 56.075 56.287 -0.240 0.000 0.792 133 K CB -2.500 29.833 32.500 -0.279 0.000 1.283 133 K HN 0.436 nan 8.250 nan 0.000 0.480 134 V N -2.169 117.641 119.914 -0.173 0.000 3.441 134 V HA 0.217 4.334 4.120 -0.006 0.000 0.300 134 V C 1.364 177.381 176.094 -0.128 0.000 1.091 134 V CA -0.408 61.821 62.300 -0.119 0.000 1.099 134 V CB 0.831 32.611 31.823 -0.072 0.000 1.138 134 V HN 0.366 nan 8.190 nan 0.000 0.471 135 L N 1.441 122.646 121.223 -0.030 0.000 2.660 135 L HA 0.217 4.553 4.340 -0.006 0.000 0.238 135 L C 2.136 179.018 176.870 0.021 0.000 1.161 135 L CA 1.238 56.106 54.840 0.047 0.000 0.937 135 L CB -0.976 41.158 42.059 0.125 0.000 1.122 135 L HN 1.052 nan 8.230 nan 0.000 0.435 136 R N 0.540 121.025 120.500 -0.025 0.000 2.596 136 R HA -0.444 3.893 4.340 -0.006 0.000 0.204 136 R C 1.172 177.461 176.300 -0.018 0.000 0.897 136 R CA 2.644 58.727 56.100 -0.028 0.000 1.038 136 R CB -0.836 29.448 30.300 -0.027 0.000 0.574 136 R HN 0.501 nan 8.270 nan 0.000 0.452 137 D N -4.878 115.520 120.400 -0.003 0.000 2.531 137 D HA -0.035 4.601 4.640 -0.006 0.000 0.736 137 D C 0.897 177.199 176.300 0.004 0.000 0.322 137 D CA 1.509 55.505 54.000 -0.007 0.000 1.172 137 D CB -1.256 39.531 40.800 -0.022 0.000 1.504 137 D HN 0.441 nan 8.370 nan 0.000 0.340 138 G N -0.401 108.402 108.800 0.005 0.000 2.490 138 G HA2 0.240 4.197 3.960 -0.006 0.000 0.211 138 G HA3 0.240 4.197 3.960 -0.006 0.000 0.211 138 G C 0.483 175.402 174.900 0.032 0.000 1.159 138 G CA 0.490 45.597 45.100 0.012 0.000 0.819 138 G HN 0.118 nan 8.290 nan 0.000 0.539 139 K N -1.258 119.168 120.400 0.043 0.000 2.535 139 K HA 0.145 4.462 4.320 -0.006 0.000 0.251 139 K C -0.529 176.144 176.600 0.121 0.000 0.942 139 K CA -1.150 55.188 56.287 0.087 0.000 0.798 139 K CB 1.788 34.331 32.500 0.071 0.000 1.267 139 K HN 0.104 nan 8.250 nan 0.000 0.434 140 W N 3.629 124.915 121.300 -0.023 0.000 2.303 140 W HA -0.181 4.475 4.660 -0.005 0.000 0.287 140 W C 0.258 176.763 176.519 -0.022 0.000 1.213 140 W CA 1.409 58.739 57.345 -0.025 0.000 1.203 140 W CB 0.041 29.484 29.460 -0.028 0.000 1.136 140 W HN 0.464 nan 8.180 nan 0.000 0.547 141 S N 0.997 116.663 115.700 -0.057 0.000 2.542 141 S HA -0.137 4.330 4.470 -0.006 0.000 0.287 141 S C 0.570 174.971 174.600 -0.332 0.000 1.315 141 S CA 0.329 58.387 58.200 -0.237 0.000 1.037 141 S CB 0.081 63.239 63.200 -0.070 0.000 0.822 141 S HN 0.433 nan 8.310 nan 0.000 0.513 142 E N 1.873 121.860 120.200 -0.355 0.000 2.435 142 E HA 0.275 4.621 4.350 -0.006 0.000 0.256 142 E C -0.391 176.109 176.600 -0.167 0.000 1.245 142 E CA -0.332 55.900 56.400 -0.280 0.000 0.989 142 E CB 0.368 29.927 29.700 -0.234 0.000 0.983 142 E HN 0.333 nan 8.360 nan 0.000 0.480 143 Q N 0.001 119.722 119.800 -0.131 0.000 2.594 143 Q HA 0.176 4.512 4.340 -0.006 0.000 0.278 143 Q C -1.286 174.675 176.000 -0.065 0.000 0.961 143 Q CA -0.600 55.152 55.803 -0.085 0.000 0.844 143 Q CB 1.665 30.357 28.738 -0.076 0.000 1.475 143 Q HN 0.709 nan 8.270 nan 0.000 0.389 144 E N 0.451 120.625 120.200 -0.044 0.000 2.422 144 E HA 0.174 4.520 4.350 -0.006 0.000 0.260 144 E C 0.625 177.212 176.600 -0.022 0.000 1.108 144 E CA 0.462 56.845 56.400 -0.029 0.000 0.943 144 E CB 0.611 30.300 29.700 -0.018 0.000 0.961 144 E HN 0.717 nan 8.360 nan 0.000 0.443 145 A N 2.169 124.982 122.820 -0.012 0.000 2.194 145 A HA -0.218 4.099 4.320 -0.006 0.000 0.220 145 A C 1.873 179.463 177.584 0.009 0.000 1.162 145 A CA 1.956 53.992 52.037 -0.001 0.000 0.674 145 A CB -0.531 18.475 19.000 0.010 0.000 0.789 145 A HN 0.649 nan 8.150 nan 0.000 0.470 146 A N 0.485 123.311 122.820 0.010 0.000 1.831 146 A HA 0.053 4.370 4.320 -0.006 0.000 0.213 146 A C 1.804 179.407 177.584 0.032 0.000 1.223 146 A CA 1.190 53.245 52.037 0.030 0.000 0.604 146 A CB -0.553 18.466 19.000 0.032 0.000 0.878 146 A HN 0.370 nan 8.150 nan 0.000 0.450 147 I N 0.309 120.884 120.570 0.008 0.000 2.576 147 I HA -0.262 3.905 4.170 -0.006 0.000 0.263 147 I C 2.249 178.355 176.117 -0.018 0.000 1.183 147 I CA 1.050 62.343 61.300 -0.012 0.000 1.432 147 I CB -1.689 36.293 38.000 -0.030 0.000 1.100 147 I HN 0.295 nan 8.210 nan 0.000 0.452 148 L N 1.419 122.637 121.223 -0.008 0.000 1.981 148 L HA -0.216 4.120 4.340 -0.006 0.000 0.237 148 L C 1.480 178.342 176.870 -0.014 0.000 1.095 148 L CA 1.755 56.587 54.840 -0.013 0.000 0.820 148 L CB -0.586 41.472 42.059 -0.002 0.000 0.914 148 L HN 0.117 nan 8.230 nan 0.000 0.442 149 V N 1.081 121.002 119.914 0.012 0.000 4.591 149 V HA -0.186 3.931 4.120 -0.006 0.000 0.449 149 V C -2.021 174.058 176.094 -0.025 0.000 0.685 149 V CA -0.508 61.800 62.300 0.013 0.000 1.751 149 V CB -1.213 30.613 31.823 0.004 0.000 2.089 149 V HN 0.506 nan 8.190 nan 0.000 0.491 150 P HA 0.233 nan 4.420 nan 0.000 0.262 150 P C 0.890 178.163 177.300 -0.044 0.000 1.151 150 P CA 1.708 64.784 63.100 -0.040 0.000 0.757 150 P CB 0.216 31.887 31.700 -0.047 0.000 0.754 151 G N 2.401 111.174 108.800 -0.045 0.000 4.386 151 G HA2 -0.099 3.857 3.960 -0.006 0.000 0.185 151 G HA3 -0.099 3.857 3.960 -0.006 0.000 0.185 151 G C -0.300 174.572 174.900 -0.048 0.000 1.725 151 G CA 0.057 45.128 45.100 -0.049 0.000 0.941 151 G HN 0.624 nan 8.290 nan 0.000 0.315 152 D N 1.439 121.812 120.400 -0.046 0.000 2.393 152 D HA 0.501 5.137 4.640 -0.006 0.000 0.246 152 D C 0.134 176.416 176.300 -0.030 0.000 1.275 152 D CA -0.275 53.701 54.000 -0.039 0.000 0.979 152 D CB 0.655 41.431 40.800 -0.039 0.000 1.101 152 D HN 0.248 nan 8.370 nan 0.000 0.505 153 I N -0.286 120.273 120.570 -0.019 0.000 2.498 153 I HA 0.282 4.448 4.170 -0.006 0.000 0.301 153 I C 0.637 176.753 176.117 -0.001 0.000 0.984 153 I CA -0.665 60.632 61.300 -0.006 0.000 1.204 153 I CB 1.634 39.639 38.000 0.007 0.000 1.362 153 I HN 0.417 nan 8.210 nan 0.000 0.471 154 V N 1.448 121.363 119.914 0.002 0.000 4.247 154 V HA 0.869 4.985 4.120 -0.006 0.000 0.284 154 V C 0.124 176.233 176.094 0.025 0.000 1.349 154 V CA -0.436 61.863 62.300 -0.003 0.000 0.885 154 V CB 1.058 32.873 31.823 -0.014 0.000 1.296 154 V HN 0.763 nan 8.190 nan 0.000 0.458 155 S N -1.528 114.181 115.700 0.015 0.000 2.761 155 S HA 0.790 5.256 4.470 -0.006 0.000 0.290 155 S C -1.162 173.451 174.600 0.022 0.000 1.222 155 S CA -0.142 58.084 58.200 0.043 0.000 0.954 155 S CB 1.430 64.686 63.200 0.093 0.000 1.281 155 S HN 0.914 nan 8.310 nan 0.000 0.527 156 I N -0.012 120.579 120.570 0.034 0.000 2.809 156 I HA 0.338 4.504 4.170 -0.006 0.000 0.301 156 I C -1.842 174.292 176.117 0.028 0.000 1.660 156 I CA -0.473 60.839 61.300 0.020 0.000 0.950 156 I CB 1.894 39.901 38.000 0.012 0.000 1.388 156 I HN 0.639 nan 8.210 nan 0.000 0.569 157 K N 1.989 122.399 120.400 0.017 0.000 1.857 157 K HA 0.482 4.798 4.320 -0.006 0.000 0.252 157 K C -0.898 175.703 176.600 0.000 0.000 0.924 157 K CA -0.641 55.657 56.287 0.018 0.000 0.788 157 K CB 1.093 33.609 32.500 0.026 0.000 1.861 157 K HN 0.455 nan 8.250 nan 0.000 0.658 158 L N 0.773 121.990 121.223 -0.009 0.000 2.912 158 L HA 0.313 4.650 4.340 -0.006 0.000 0.240 158 L C 0.161 177.022 176.870 -0.015 0.000 1.262 158 L CA 0.372 55.196 54.840 -0.027 0.000 1.058 158 L CB 0.077 42.096 42.059 -0.066 0.000 1.383 158 L HN 0.836 nan 8.230 nan 0.000 0.512 159 G N -1.644 107.153 108.800 -0.004 0.000 3.258 159 G HA2 -0.010 3.946 3.960 -0.006 0.000 0.175 159 G HA3 -0.010 3.946 3.960 -0.006 0.000 0.175 159 G C -0.468 174.434 174.900 0.003 0.000 1.261 159 G CA -0.310 44.790 45.100 0.001 0.000 0.881 159 G HN 0.308 nan 8.290 nan 0.000 0.851 160 D N 2.148 122.549 120.400 0.002 0.000 2.551 160 D HA 0.239 4.876 4.640 -0.006 0.000 0.223 160 D C 0.764 177.068 176.300 0.005 0.000 1.144 160 D CA -0.178 53.822 54.000 0.000 0.000 1.025 160 D CB 0.218 41.015 40.800 -0.006 0.000 1.085 160 D HN 0.304 nan 8.370 nan 0.000 0.506 161 I N 2.023 122.600 120.570 0.012 0.000 2.978 161 I HA -0.176 3.991 4.170 -0.006 0.000 0.293 161 I C 0.808 176.936 176.117 0.018 0.000 1.218 161 I CA -0.181 61.130 61.300 0.019 0.000 1.393 161 I CB -0.157 37.864 38.000 0.035 0.000 1.394 161 I HN 0.173 nan 8.210 nan 0.000 0.541 162 I N 9.646 130.222 120.570 0.010 0.000 3.281 162 I HA -0.230 3.937 4.170 -0.006 0.000 0.346 162 I C -1.174 174.950 176.117 0.011 0.000 1.154 162 I CA 0.112 61.415 61.300 0.004 0.000 1.507 162 I CB -0.071 37.929 38.000 0.000 0.000 1.263 162 I HN 0.501 nan 8.210 nan 0.000 0.515 163 P HA 0.021 nan 4.420 nan 0.000 0.215 163 P C -0.485 176.825 177.300 0.018 0.000 1.157 163 P CA 1.461 64.570 63.100 0.015 0.000 0.859 163 P CB 0.289 31.988 31.700 -0.003 0.000 0.786 164 A N -1.284 121.525 122.820 -0.019 0.000 2.567 164 A HA 0.433 4.749 4.320 -0.006 0.000 0.291 164 A C -1.578 175.943 177.584 -0.105 0.000 1.048 164 A CA -0.623 51.378 52.037 -0.060 0.000 0.661 164 A CB -0.236 18.741 19.000 -0.040 0.000 1.288 164 A HN 0.164 nan 8.150 nan 0.000 0.424 165 D N 0.470 120.741 120.400 -0.214 0.000 2.622 165 D HA 0.394 5.030 4.640 -0.006 0.000 0.227 165 D C 0.345 176.569 176.300 -0.126 0.000 1.159 165 D CA 1.069 54.927 54.000 -0.236 0.000 0.865 165 D CB 0.482 40.959 40.800 -0.540 0.000 1.207 165 D HN 1.680 nan 8.370 nan 0.000 0.492 166 A N 1.608 124.385 122.820 -0.071 0.000 3.251 166 A HA 0.755 5.071 4.320 -0.006 0.000 0.303 166 A C -0.382 177.197 177.584 -0.008 0.000 1.144 166 A CA -0.428 51.587 52.037 -0.037 0.000 0.606 166 A CB 0.749 19.734 19.000 -0.025 0.000 1.494 166 A HN 0.671 nan 8.150 nan 0.000 0.653 167 R N -0.362 120.141 120.500 0.004 0.000 2.468 167 R HA 0.360 4.697 4.340 -0.006 0.000 0.352 167 R C -0.188 176.126 176.300 0.024 0.000 0.858 167 R CA 0.415 56.527 56.100 0.019 0.000 1.108 167 R CB -1.720 28.591 30.300 0.019 0.000 1.741 167 R HN 1.809 nan 8.270 nan 0.000 0.504 168 L N -0.694 120.540 121.223 0.018 0.000 3.367 168 L HA -0.267 4.070 4.340 -0.006 0.000 0.539 168 L C 0.697 177.581 176.870 0.024 0.000 1.001 168 L CA 0.183 55.035 54.840 0.020 0.000 1.203 168 L CB -0.542 41.529 42.059 0.021 0.000 0.981 168 L HN 0.279 nan 8.230 nan 0.000 0.595 169 L N 1.457 122.692 121.223 0.019 0.000 1.978 169 L HA -0.221 4.116 4.340 -0.006 0.000 0.218 169 L C 1.349 178.235 176.870 0.028 0.000 1.075 169 L CA 2.620 57.474 54.840 0.023 0.000 0.767 169 L CB 0.064 42.132 42.059 0.016 0.000 0.890 169 L HN 1.169 nan 8.230 nan 0.000 0.434 170 E N -4.371 115.841 120.200 0.020 0.000 1.975 170 E HA 0.407 4.753 4.350 -0.006 0.000 0.240 170 E C -0.139 176.462 176.600 0.001 0.000 1.652 170 E CA -0.080 56.332 56.400 0.020 0.000 0.996 170 E CB -0.209 29.508 29.700 0.028 0.000 1.487 170 E HN 0.057 nan 8.360 nan 0.000 0.533 171 G N -0.287 108.510 108.800 -0.005 0.000 3.426 171 G HA2 0.084 4.040 3.960 -0.006 0.000 0.196 171 G HA3 0.084 4.040 3.960 -0.006 0.000 0.196 171 G C -0.892 173.992 174.900 -0.027 0.000 1.763 171 G CA 0.298 45.378 45.100 -0.033 0.000 1.210 171 G HN 0.895 nan 8.290 nan 0.000 0.472 172 D N 1.088 121.477 120.400 -0.020 0.000 2.369 172 D HA 0.434 5.071 4.640 -0.006 0.000 0.185 172 D C -2.719 173.559 176.300 -0.037 0.000 1.253 172 D CA -0.519 53.474 54.000 -0.012 0.000 1.107 172 D CB 1.142 41.953 40.800 0.018 0.000 1.588 172 D HN 0.266 nan 8.370 nan 0.000 0.561 173 P HA 0.056 nan 4.420 nan 0.000 0.271 173 P C -0.847 176.416 177.300 -0.063 0.000 1.179 173 P CA 0.125 63.158 63.100 -0.112 0.000 0.766 173 P CB 0.303 31.823 31.700 -0.300 0.000 0.789 174 L N -0.863 120.338 121.223 -0.036 0.000 2.403 174 L HA 0.607 4.943 4.340 -0.006 0.000 0.253 174 L C -0.641 176.224 176.870 -0.009 0.000 1.045 174 L CA -1.491 53.337 54.840 -0.019 0.000 0.845 174 L CB 0.603 42.655 42.059 -0.011 0.000 1.447 174 L HN 0.074 nan 8.230 nan 0.000 0.411 175 K N 0.783 121.178 120.400 -0.009 0.000 2.219 175 K HA 0.462 4.779 4.320 -0.006 0.000 0.280 175 K C 0.140 176.738 176.600 -0.004 0.000 1.104 175 K CA -0.141 56.144 56.287 -0.005 0.000 0.925 175 K CB 0.495 32.991 32.500 -0.008 0.000 1.261 175 K HN 0.564 nan 8.250 nan 0.000 0.445 176 V N -0.461 119.455 119.914 0.003 0.000 3.021 176 V HA 0.097 4.214 4.120 -0.006 0.000 0.385 176 V C -0.435 175.661 176.094 0.002 0.000 1.303 176 V CA -0.960 61.343 62.300 0.004 0.000 1.471 176 V CB -0.728 31.102 31.823 0.012 0.000 1.419 176 V HN 0.491 nan 8.190 nan 0.000 0.551 177 D N 3.214 123.613 120.400 -0.001 0.000 2.659 177 D HA -0.060 4.576 4.640 -0.006 0.000 0.275 177 D C 0.871 177.169 176.300 -0.005 0.000 1.407 177 D CA 0.959 54.957 54.000 -0.003 0.000 1.033 177 D CB 0.286 41.084 40.800 -0.005 0.000 1.139 177 D HN 0.669 nan 8.370 nan 0.000 0.565 178 Q N 1.294 121.089 119.800 -0.008 0.000 3.026 178 Q HA 0.123 4.459 4.340 -0.006 0.000 0.258 178 Q C 0.239 176.229 176.000 -0.016 0.000 1.388 178 Q CA -0.092 55.703 55.803 -0.014 0.000 1.000 178 Q CB 0.020 28.744 28.738 -0.023 0.000 1.634 178 Q HN 0.195 nan 8.270 nan 0.000 0.571 179 S N -0.078 115.616 115.700 -0.010 0.000 2.701 179 S HA 0.160 4.626 4.470 -0.006 0.000 0.220 179 S C 1.010 175.606 174.600 -0.008 0.000 0.954 179 S CA 0.418 58.612 58.200 -0.010 0.000 0.936 179 S CB 0.310 63.504 63.200 -0.010 0.000 0.777 179 S HN 0.656 nan 8.310 nan 0.000 0.518 180 A N 1.273 124.089 122.820 -0.005 0.000 1.848 180 A HA 0.405 4.721 4.320 -0.006 0.000 0.184 180 A C 1.535 179.120 177.584 0.001 0.000 1.946 180 A CA 0.162 52.203 52.037 0.006 0.000 1.093 180 A CB -0.972 18.045 19.000 0.027 0.000 1.014 180 A HN 0.322 nan 8.150 nan 0.000 0.638 181 L N 0.806 122.022 121.223 -0.011 0.000 2.054 181 L HA -0.135 4.202 4.340 -0.006 0.000 0.220 181 L C 0.552 177.388 176.870 -0.056 0.000 1.081 181 L CA 3.131 57.946 54.840 -0.042 0.000 0.780 181 L CB -0.778 41.218 42.059 -0.106 0.000 0.893 181 L HN 0.327 nan 8.230 nan 0.000 0.438 182 T N 0.265 114.783 114.554 -0.061 0.000 4.076 182 T HA 0.425 4.772 4.350 -0.006 0.000 0.222 182 T C 0.119 174.793 174.700 -0.044 0.000 1.008 182 T CA 0.019 62.081 62.100 -0.064 0.000 1.486 182 T CB 0.101 68.909 68.868 -0.101 0.000 0.828 182 T HN 0.509 nan 8.240 nan 0.000 0.625 183 G N 1.775 110.558 108.800 -0.028 0.000 2.457 183 G HA2 0.536 4.492 3.960 -0.006 0.000 0.316 183 G HA3 0.536 4.492 3.960 -0.006 0.000 0.316 183 G C -0.361 174.530 174.900 -0.015 0.000 1.030 183 G CA -0.550 44.538 45.100 -0.020 0.000 1.073 183 G HN 0.316 nan 8.290 nan 0.000 0.430 184 E N 1.375 121.566 120.200 -0.015 0.000 2.266 184 E HA 0.320 4.666 4.350 -0.006 0.000 0.277 184 E C 0.710 177.306 176.600 -0.008 0.000 1.018 184 E CA -0.662 55.731 56.400 -0.011 0.000 0.840 184 E CB 1.416 31.109 29.700 -0.012 0.000 1.082 184 E HN 0.193 nan 8.360 nan 0.000 0.395 185 S N 1.860 117.558 115.700 -0.004 0.000 3.079 185 S HA -0.003 4.464 4.470 -0.006 0.000 0.245 185 S C -0.104 174.496 174.600 -0.000 0.000 1.013 185 S CA 0.358 58.557 58.200 -0.002 0.000 1.117 185 S CB -0.896 62.306 63.200 0.003 0.000 0.851 185 S HN 0.308 nan 8.310 nan 0.000 0.523 186 L N 0.906 122.128 121.223 -0.002 0.000 2.436 186 L HA 0.417 4.753 4.340 -0.006 0.000 0.268 186 L C -2.289 174.580 176.870 -0.002 0.000 0.974 186 L CA -2.388 52.452 54.840 -0.000 0.000 0.826 186 L CB 1.851 43.910 42.059 -0.000 0.000 1.291 186 L HN -0.065 nan 8.230 nan 0.000 0.406 187 P HA -0.112 nan 4.420 nan 0.000 0.276 187 P C 0.384 177.685 177.300 0.002 0.000 1.337 187 P CA 0.160 63.261 63.100 0.002 0.000 0.958 187 P CB 0.562 32.264 31.700 0.004 0.000 1.078 188 V N -6.807 113.110 119.914 0.006 0.000 3.163 188 V HA 0.128 4.244 4.120 -0.006 0.000 0.217 188 V C 0.445 176.551 176.094 0.019 0.000 1.540 188 V CA 0.458 62.764 62.300 0.010 0.000 1.205 188 V CB -1.090 30.736 31.823 0.006 0.000 1.110 188 V HN 0.774 nan 8.190 nan 0.000 0.482 189 T N 2.478 117.042 114.554 0.016 0.000 0.556 189 T HA -0.126 4.221 4.350 -0.006 0.000 0.772 189 T C -0.438 174.285 174.700 0.038 0.000 0.992 189 T CA 1.410 63.520 62.100 0.018 0.000 4.068 189 T CB -0.632 68.242 68.868 0.010 0.000 2.298 189 T HN 0.749 nan 8.240 nan 0.000 0.397 190 K N 3.410 123.834 120.400 0.041 0.000 2.512 190 K HA 0.365 4.681 4.320 -0.006 0.000 0.263 190 K C -0.037 176.613 176.600 0.083 0.000 0.966 190 K CA -0.866 55.475 56.287 0.091 0.000 0.851 190 K CB 1.585 34.141 32.500 0.093 0.000 1.395 190 K HN 0.848 nan 8.250 nan 0.000 0.440 191 H N 0.677 119.759 119.070 0.020 0.000 2.767 191 H HA 0.060 4.612 4.556 -0.006 0.000 0.380 191 H C -1.884 173.456 175.328 0.021 0.000 1.409 191 H CA -0.501 55.560 56.048 0.022 0.000 1.463 191 H CB -0.169 29.606 29.762 0.021 0.000 1.514 191 H HN 0.127 nan 8.280 nan 0.000 0.619 192 P HA 0.097 nan 4.420 nan 0.000 0.240 192 P C -0.765 176.584 177.300 0.082 0.000 1.594 192 P CA 0.888 64.042 63.100 0.089 0.000 1.184 192 P CB -0.127 31.619 31.700 0.077 0.000 1.915 193 G N 1.144 109.990 108.800 0.076 0.000 1.974 193 G HA2 0.248 4.205 3.960 -0.006 0.000 0.303 193 G HA3 0.248 4.205 3.960 -0.006 0.000 0.303 193 G C -1.584 173.352 174.900 0.060 0.000 2.080 193 G CA -0.357 44.779 45.100 0.060 0.000 0.896 193 G HN 0.073 nan 8.290 nan 0.000 0.514 194 Q N 0.821 120.655 119.800 0.056 0.000 2.320 194 Q HA 0.194 4.530 4.340 -0.006 0.000 0.272 194 Q C -0.640 175.408 176.000 0.080 0.000 1.023 194 Q CA -0.612 55.228 55.803 0.062 0.000 0.855 194 Q CB 2.538 31.310 28.738 0.056 0.000 1.367 194 Q HN 0.700 nan 8.270 nan 0.000 0.406 195 E N 1.529 121.798 120.200 0.115 0.000 2.515 195 E HA 0.058 4.405 4.350 -0.006 0.000 0.315 195 E C 0.577 177.341 176.600 0.273 0.000 1.523 195 E CA -0.040 56.498 56.400 0.231 0.000 1.704 195 E CB -0.119 29.737 29.700 0.260 0.000 1.395 195 E HN 0.281 nan 8.360 nan 0.000 0.490 196 V N -0.068 119.931 119.914 0.142 0.000 2.506 196 V HA -0.015 4.102 4.120 -0.006 0.000 0.313 196 V C 0.468 176.629 176.094 0.112 0.000 1.716 196 V CA -0.040 62.321 62.300 0.101 0.000 1.690 196 V CB -1.958 29.890 31.823 0.042 0.000 1.389 196 V HN 0.157 nan 8.190 nan 0.000 0.483 197 F N 2.827 122.734 119.950 -0.072 0.000 2.637 197 F HA 0.006 4.529 4.527 -0.006 0.000 0.372 197 F C 2.182 177.886 175.800 -0.160 0.000 1.107 197 F CA 1.074 59.005 58.000 -0.115 0.000 1.325 197 F CB 0.529 39.440 39.000 -0.149 0.000 1.016 197 F HN 0.571 nan 8.300 nan 0.000 0.593 198 S N 1.971 117.616 115.700 -0.091 0.000 2.421 198 S HA -0.209 4.258 4.470 -0.006 0.000 0.239 198 S C 1.456 175.960 174.600 -0.160 0.000 1.054 198 S CA 1.084 59.217 58.200 -0.111 0.000 1.035 198 S CB -1.234 61.912 63.200 -0.089 0.000 0.840 198 S HN 0.887 nan 8.310 nan 0.000 0.475 199 G N 1.545 110.151 108.800 -0.324 0.000 2.916 199 G HA2 0.450 4.407 3.960 -0.006 0.000 0.280 199 G HA3 0.450 4.407 3.960 -0.006 0.000 0.280 199 G C -0.358 174.496 174.900 -0.077 0.000 0.758 199 G CA -0.010 44.938 45.100 -0.253 0.000 1.993 199 G HN 0.847 nan 8.290 nan 0.000 0.564 200 S N -0.299 115.386 115.700 -0.026 0.000 2.653 200 S HA 0.317 4.784 4.470 -0.006 0.000 0.268 200 S C -0.386 174.218 174.600 0.007 0.000 1.153 200 S CA -0.857 57.341 58.200 -0.004 0.000 1.036 200 S CB 1.276 64.480 63.200 0.007 0.000 1.103 200 S HN 0.192 nan 8.310 nan 0.000 0.466 201 T N 1.504 116.062 114.554 0.007 0.000 3.364 201 T HA 0.296 4.642 4.350 -0.006 0.000 0.323 201 T C 0.975 175.676 174.700 0.001 0.000 1.323 201 T CA -0.529 61.575 62.100 0.007 0.000 1.073 201 T CB -1.240 67.633 68.868 0.007 0.000 1.150 201 T HN 0.982 nan 8.240 nan 0.000 0.727 202 C N 3.642 122.943 119.300 0.001 0.000 2.657 202 C HA 0.351 4.808 4.460 -0.006 0.000 0.420 202 C C 1.341 176.325 174.990 -0.010 0.000 1.323 202 C CA -0.659 58.358 59.018 -0.002 0.000 1.894 202 C CB 0.157 27.897 27.740 -0.000 0.000 2.681 202 C HN 0.678 nan 8.230 nan 0.000 0.613 203 K N 2.066 122.457 120.400 -0.014 0.000 3.237 203 K HA 0.149 4.466 4.320 -0.006 0.000 0.182 203 K C 0.948 177.525 176.600 -0.038 0.000 1.145 203 K CA 0.307 56.579 56.287 -0.026 0.000 1.470 203 K CB -0.433 32.053 32.500 -0.024 0.000 2.031 203 K HN 0.942 nan 8.250 nan 0.000 0.521 204 Q N 0.325 120.096 119.800 -0.048 0.000 2.317 204 Q HA 0.414 4.751 4.340 -0.006 0.000 0.229 204 Q C -0.165 175.817 176.000 -0.031 0.000 0.984 204 Q CA -0.366 55.401 55.803 -0.060 0.000 0.911 204 Q CB 1.114 29.801 28.738 -0.084 0.000 1.217 204 Q HN 0.580 nan 8.270 nan 0.000 0.501 205 G N 1.455 110.241 108.800 -0.023 0.000 3.393 205 G HA2 -0.080 3.876 3.960 -0.006 0.000 0.676 205 G HA3 -0.080 3.876 3.960 -0.006 0.000 0.676 205 G C -1.382 173.518 174.900 0.001 0.000 1.224 205 G CA -0.721 44.375 45.100 -0.006 0.000 1.109 205 G HN 0.582 nan 8.290 nan 0.000 0.519 206 E N 1.871 122.075 120.200 0.007 0.000 2.044 206 E HA 0.486 4.832 4.350 -0.006 0.000 0.282 206 E C 0.567 177.168 176.600 0.001 0.000 1.031 206 E CA -0.495 55.912 56.400 0.012 0.000 0.824 206 E CB 1.131 30.840 29.700 0.015 0.000 1.076 206 E HN 0.432 nan 8.360 nan 0.000 0.395 207 I N 1.659 122.235 120.570 0.010 0.000 2.647 207 I HA 0.307 4.473 4.170 -0.006 0.000 0.295 207 I C 0.340 176.467 176.117 0.016 0.000 1.078 207 I CA -1.094 60.209 61.300 0.005 0.000 1.048 207 I CB 1.630 39.633 38.000 0.004 0.000 1.239 207 I HN 0.347 nan 8.210 nan 0.000 0.421 208 E N 3.055 123.261 120.200 0.011 0.000 2.349 208 E HA 0.769 5.115 4.350 -0.006 0.000 0.262 208 E C -0.475 176.135 176.600 0.016 0.000 1.088 208 E CA -0.354 56.058 56.400 0.019 0.000 0.899 208 E CB 2.188 31.894 29.700 0.010 0.000 1.044 208 E HN 0.769 nan 8.360 nan 0.000 0.420 209 A N 0.834 123.663 122.820 0.016 0.000 2.590 209 A HA 0.433 4.750 4.320 -0.006 0.000 0.294 209 A C -1.504 176.081 177.584 0.002 0.000 1.046 209 A CA -0.682 51.361 52.037 0.009 0.000 0.684 209 A CB 1.125 20.129 19.000 0.008 0.000 1.279 209 A HN 0.216 nan 8.150 nan 0.000 0.415 210 V N 2.191 122.104 119.914 -0.003 0.000 2.350 210 V HA 0.434 4.550 4.120 -0.006 0.000 0.285 210 V C 0.386 176.468 176.094 -0.019 0.000 1.014 210 V CA -0.467 61.826 62.300 -0.013 0.000 0.831 210 V CB 1.317 33.130 31.823 -0.015 0.000 1.000 210 V HN 1.295 nan 8.190 nan 0.000 0.433 211 V N 4.752 124.650 119.914 -0.027 0.000 2.441 211 V HA 0.201 4.318 4.120 -0.006 0.000 0.279 211 V C 0.429 176.498 176.094 -0.043 0.000 0.990 211 V CA 0.409 62.687 62.300 -0.038 0.000 1.116 211 V CB -0.528 31.272 31.823 -0.039 0.000 0.977 211 V HN 0.742 nan 8.190 nan 0.000 0.470 212 I N 4.802 125.342 120.570 -0.050 0.000 3.468 212 I HA 0.716 4.883 4.170 -0.006 0.000 0.299 212 I C 1.191 177.264 176.117 -0.073 0.000 1.141 212 I CA 0.182 61.453 61.300 -0.048 0.000 0.950 212 I CB 1.501 39.480 38.000 -0.035 0.000 1.522 212 I HN 1.234 nan 8.210 nan 0.000 0.699 213 A N 1.247 124.030 122.820 -0.062 0.000 6.458 213 A HA -0.249 4.067 4.320 -0.006 0.000 0.279 213 A C 0.208 177.743 177.584 -0.082 0.000 2.024 213 A CA 0.887 52.883 52.037 -0.068 0.000 0.770 213 A CB -2.290 16.642 19.000 -0.113 0.000 1.107 213 A HN 1.007 nan 8.150 nan 0.000 0.396 214 T N -1.860 112.633 114.554 -0.102 0.000 2.928 214 T HA 0.601 4.948 4.350 -0.006 0.000 0.284 214 T C 1.535 176.172 174.700 -0.104 0.000 1.008 214 T CA 0.531 62.528 62.100 -0.171 0.000 1.057 214 T CB 1.176 69.772 68.868 -0.453 0.000 1.018 214 T HN 2.262 nan 8.240 nan 0.000 0.493 215 G N 1.183 109.940 108.800 -0.071 0.000 2.806 215 G HA2 -0.213 3.743 3.960 -0.006 0.000 0.214 215 G HA3 -0.213 3.743 3.960 -0.006 0.000 0.214 215 G C 1.462 176.404 174.900 0.070 0.000 1.331 215 G CA 0.919 46.016 45.100 -0.005 0.000 0.807 215 G HN 0.881 nan 8.290 nan 0.000 0.644 216 V N 1.062 121.042 119.914 0.111 0.000 3.330 216 V HA -0.027 4.090 4.120 -0.006 0.000 0.273 216 V C 0.534 176.889 176.094 0.435 0.000 1.179 216 V CA 0.905 63.344 62.300 0.232 0.000 1.174 216 V CB -0.970 30.946 31.823 0.155 0.000 0.794 216 V HN 0.428 nan 8.190 nan 0.000 0.527 217 H N -0.013 119.124 119.070 0.113 0.000 2.820 217 H HA 0.492 5.044 4.556 -0.006 0.000 0.248 217 H C 0.740 176.099 175.328 0.052 0.000 1.714 217 H CA 0.352 56.523 56.048 0.205 0.000 1.334 217 H CB 0.673 30.538 29.762 0.173 0.000 1.693 217 H HN 0.259 nan 8.280 nan 0.000 0.548 218 T N -0.536 114.162 114.554 0.241 0.000 3.822 218 T HA -0.051 4.296 4.350 -0.006 0.000 0.318 218 T C 1.103 175.999 174.700 0.326 0.000 0.894 218 T CA -0.201 61.992 62.100 0.155 0.000 1.147 218 T CB -0.576 68.169 68.868 -0.205 0.000 1.088 218 T HN 0.202 nan 8.240 nan 0.000 0.529 219 F N 1.121 121.216 119.950 0.243 0.000 2.661 219 F HA 0.374 4.898 4.527 -0.005 0.000 0.298 219 F C 1.346 177.262 175.800 0.193 0.000 1.137 219 F CA 0.219 58.329 58.000 0.183 0.000 1.454 219 F CB -0.018 39.059 39.000 0.127 0.000 1.103 219 F HN 0.254 nan 8.300 nan 0.000 0.577 220 F N -0.669 119.407 119.950 0.210 0.000 2.749 220 F HA 0.332 4.856 4.527 -0.006 0.000 0.300 220 F C 2.004 177.834 175.800 0.050 0.000 1.103 220 F CA 0.384 58.423 58.000 0.065 0.000 1.342 220 F CB -0.446 38.520 39.000 -0.058 0.000 1.098 220 F HN -0.142 nan 8.300 nan 0.000 0.586 221 G N 0.169 108.997 108.800 0.048 0.000 2.985 221 G HA2 -0.005 3.951 3.960 -0.006 0.000 0.209 221 G HA3 -0.005 3.951 3.960 -0.006 0.000 0.209 221 G C 0.615 175.460 174.900 -0.093 0.000 1.165 221 G CA 0.020 45.127 45.100 0.012 0.000 0.776 221 G HN 0.174 nan 8.290 nan 0.000 0.541 222 K N 0.399 120.765 120.400 -0.058 0.000 3.320 222 K HA 0.450 4.767 4.320 -0.006 0.000 0.194 222 K C 0.063 176.650 176.600 -0.022 0.000 1.085 222 K CA -0.289 55.960 56.287 -0.062 0.000 0.901 222 K CB 1.066 33.543 32.500 -0.039 0.000 0.765 222 K HN 0.136 nan 8.250 nan 0.000 0.480 223 A N 0.575 123.340 122.820 -0.092 0.000 2.454 223 A HA 0.633 4.950 4.320 -0.006 0.000 0.260 223 A C 1.003 178.531 177.584 -0.094 0.000 1.106 223 A CA 0.265 52.271 52.037 -0.052 0.000 0.780 223 A CB 0.386 19.341 19.000 -0.075 0.000 1.044 223 A HN 0.459 nan 8.150 nan 0.000 0.498 224 A N 2.649 125.445 122.820 -0.039 0.000 3.051 224 A HA 0.487 4.804 4.320 -0.006 0.000 0.187 224 A C 0.862 178.376 177.584 -0.118 0.000 1.690 224 A CA 0.815 52.844 52.037 -0.014 0.000 0.677 224 A CB -0.138 18.893 19.000 0.051 0.000 1.164 224 A HN 0.915 nan 8.150 nan 0.000 0.473 225 H N -2.985 116.092 119.070 0.011 0.000 2.948 225 H HA 0.294 4.846 4.556 -0.006 0.000 0.315 225 H C -0.977 174.355 175.328 0.007 0.000 1.360 225 H CA -0.690 55.364 56.048 0.009 0.000 1.125 225 H CB 0.800 30.564 29.762 0.002 0.000 1.844 225 H HN 0.260 nan 8.280 nan 0.000 0.529 226 L N 1.976 123.298 121.223 0.164 0.000 2.858 226 L HA 0.169 4.505 4.340 -0.006 0.000 0.243 226 L C -0.066 176.835 176.870 0.052 0.000 1.416 226 L CA 0.312 55.199 54.840 0.077 0.000 1.182 226 L CB -0.579 41.519 42.059 0.064 0.000 1.564 226 L HN 0.096 nan 8.230 nan 0.000 0.436 227 V N 0.265 120.210 119.914 0.051 0.000 2.934 227 V HA 0.329 4.445 4.120 -0.006 0.000 0.256 227 V C -2.069 174.039 176.094 0.024 0.000 1.791 227 V CA -0.781 61.533 62.300 0.024 0.000 0.927 227 V CB 2.528 34.360 31.823 0.014 0.000 1.354 227 V HN 0.579 nan 8.190 nan 0.000 0.455 228 D N 2.579 122.982 120.400 0.006 0.000 2.671 228 D HA 0.470 5.106 4.640 -0.006 0.000 0.273 228 D C -0.735 175.559 176.300 -0.009 0.000 1.264 228 D CA -0.370 53.632 54.000 0.003 0.000 0.788 228 D CB 1.548 42.351 40.800 0.006 0.000 1.324 228 D HN 0.546 nan 8.370 nan 0.000 0.424 229 S N -0.156 115.540 115.700 -0.008 0.000 2.558 229 S HA 0.233 4.700 4.470 -0.006 0.000 0.288 229 S C 0.321 174.906 174.600 -0.025 0.000 1.318 229 S CA -0.040 58.152 58.200 -0.014 0.000 1.056 229 S CB 0.127 63.322 63.200 -0.008 0.000 0.853 229 S HN 0.499 nan 8.310 nan 0.000 0.505 230 T N 4.072 118.607 114.554 -0.031 0.000 2.903 230 T HA -0.072 4.274 4.350 -0.006 0.000 0.299 230 T C 1.534 176.198 174.700 -0.059 0.000 1.041 230 T CA -0.012 62.059 62.100 -0.049 0.000 1.138 230 T CB 0.004 68.842 68.868 -0.050 0.000 1.040 230 T HN 0.561 nan 8.240 nan 0.000 0.524 231 N N 2.568 121.218 118.700 -0.083 0.000 2.043 231 N HA -0.087 4.649 4.740 -0.006 0.000 0.193 231 N C 1.074 176.517 175.510 -0.113 0.000 1.037 231 N CA 1.108 54.101 53.050 -0.096 0.000 0.851 231 N CB 0.038 38.454 38.487 -0.120 0.000 1.027 231 N HN 0.561 nan 8.380 nan 0.000 0.422 232 Q N -0.572 119.124 119.800 -0.173 0.000 2.156 232 Q HA -0.008 4.329 4.340 -0.006 0.000 0.180 232 Q C 0.267 176.059 176.000 -0.347 0.000 0.600 232 Q CA 0.047 55.732 55.803 -0.198 0.000 1.007 232 Q CB -0.578 28.040 28.738 -0.200 0.000 1.380 232 Q HN 0.160 nan 8.270 nan 0.000 0.330 233 V N -1.671 118.103 119.914 -0.233 0.000 3.207 233 V HA 0.013 4.130 4.120 -0.006 0.000 0.273 233 V C 1.251 177.300 176.094 -0.075 0.000 1.182 233 V CA 1.798 63.975 62.300 -0.204 0.000 1.186 233 V CB -1.080 30.677 31.823 -0.109 0.000 0.801 233 V HN 0.294 nan 8.190 nan 0.000 0.548 234 G N -0.041 108.779 108.800 0.033 0.000 2.311 234 G HA2 -0.135 3.821 3.960 -0.006 0.000 0.274 234 G HA3 -0.135 3.821 3.960 -0.006 0.000 0.274 234 G C 0.215 175.425 174.900 0.517 0.000 1.511 234 G CA 0.259 45.513 45.100 0.256 0.000 1.041 234 G HN 0.818 nan 8.290 nan 0.000 0.527 235 H N -0.224 119.060 119.070 0.357 0.000 3.847 235 H HA 0.154 4.708 4.556 -0.004 0.000 0.228 235 H C 0.169 175.535 175.328 0.063 0.000 1.313 235 H CA 0.216 56.363 56.048 0.164 0.000 1.530 235 H CB -0.496 29.259 29.762 -0.011 0.000 1.732 235 H HN 0.337 nan 8.280 nan 0.000 0.631 236 F N 0.372 120.398 119.950 0.127 0.000 1.806 236 F HA 0.010 4.533 4.527 -0.008 0.000 0.245 236 F C 1.759 177.590 175.800 0.051 0.000 1.158 236 F CA -0.434 57.639 58.000 0.122 0.000 1.289 236 F CB 0.237 39.284 39.000 0.077 0.000 1.718 236 F HN 0.305 nan 8.300 nan 0.000 0.480 237 Q N 0.319 120.273 119.800 0.256 0.000 2.442 237 Q HA 0.145 4.481 4.340 -0.006 0.000 0.228 237 Q C 0.750 176.783 176.000 0.055 0.000 0.902 237 Q CA 0.425 56.300 55.803 0.121 0.000 0.933 237 Q CB 0.213 29.007 28.738 0.094 0.000 1.071 237 Q HN 0.034 nan 8.270 nan 0.000 0.562 238 K N 2.402 122.836 120.400 0.056 0.000 2.878 238 K HA 0.020 4.336 4.320 -0.006 0.000 0.242 238 K C 1.485 178.050 176.600 -0.059 0.000 0.985 238 K CA 0.223 56.514 56.287 0.006 0.000 1.168 238 K CB -0.321 32.192 32.500 0.022 0.000 0.993 238 K HN 0.211 nan 8.250 nan 0.000 0.476 239 V N -3.544 116.313 119.914 -0.094 0.000 3.250 239 V HA 0.017 4.133 4.120 -0.006 0.000 0.240 239 V C 1.523 177.560 176.094 -0.095 0.000 1.275 239 V CA -0.047 62.122 62.300 -0.219 0.000 1.206 239 V CB -0.433 31.149 31.823 -0.402 0.000 0.976 239 V HN 0.121 nan 8.190 nan 0.000 0.467 240 L N -0.601 120.605 121.223 -0.028 0.000 2.221 240 L HA 0.344 4.680 4.340 -0.006 0.000 0.202 240 L C 2.341 179.216 176.870 0.008 0.000 1.074 240 L CA 2.135 56.982 54.840 0.011 0.000 0.795 240 L CB -2.034 40.054 42.059 0.049 0.000 0.960 240 L HN 0.082 nan 8.230 nan 0.000 0.458 241 T N 0.678 115.233 114.554 0.001 0.000 2.849 241 T HA -0.094 4.253 4.350 -0.006 0.000 0.270 241 T C 2.061 176.739 174.700 -0.036 0.000 1.066 241 T CA 1.340 63.431 62.100 -0.016 0.000 1.130 241 T CB -0.417 68.436 68.868 -0.024 0.000 0.864 241 T HN 0.532 nan 8.240 nan 0.000 0.481 242 A N 1.000 123.803 122.820 -0.028 0.000 1.948 242 A HA -0.120 4.196 4.320 -0.006 0.000 0.220 242 A C 2.064 179.667 177.584 0.032 0.000 1.177 242 A CA 1.566 53.599 52.037 -0.008 0.000 0.636 242 A CB -0.572 18.414 19.000 -0.023 0.000 0.815 242 A HN 0.544 nan 8.150 nan 0.000 0.449 243 I N -0.685 119.897 120.570 0.020 0.000 2.296 243 I HA 0.041 4.207 4.170 -0.006 0.000 0.242 243 I C 2.698 178.825 176.117 0.016 0.000 1.087 243 I CA 1.082 62.405 61.300 0.038 0.000 1.393 243 I CB -0.996 37.018 38.000 0.023 0.000 1.093 243 I HN 0.243 nan 8.210 nan 0.000 0.421 244 G N 0.912 109.710 108.800 -0.004 0.000 2.507 244 G HA2 -0.353 3.604 3.960 -0.006 0.000 0.221 244 G HA3 -0.353 3.604 3.960 -0.006 0.000 0.221 244 G C 1.578 176.442 174.900 -0.059 0.000 1.119 244 G CA 1.415 46.505 45.100 -0.016 0.000 0.751 244 G HN 0.330 nan 8.290 nan 0.000 0.574 245 N N 0.180 118.810 118.700 -0.116 0.000 2.148 245 N HA -0.005 4.732 4.740 -0.006 0.000 0.186 245 N C 0.771 176.081 175.510 -0.334 0.000 1.031 245 N CA 0.473 53.353 53.050 -0.284 0.000 0.848 245 N CB -0.254 37.973 38.487 -0.434 0.000 1.005 245 N HN 0.196 nan 8.380 nan 0.000 0.427 246 F N -0.160 119.776 119.950 -0.023 0.000 2.898 246 F HA 0.266 4.788 4.527 -0.008 0.000 0.290 246 F C 1.378 177.160 175.800 -0.030 0.000 1.195 246 F CA -0.479 57.505 58.000 -0.027 0.000 1.387 246 F CB -0.113 38.868 39.000 -0.031 0.000 0.976 246 F HN 0.190 nan 8.300 nan 0.000 0.510 247 C N -1.644 117.702 119.300 0.077 0.000 2.904 247 C HA 0.269 4.725 4.460 -0.006 0.000 0.524 247 C C 2.438 177.429 174.990 0.002 0.000 1.313 247 C CA 0.132 59.168 59.018 0.030 0.000 2.614 247 C CB -0.906 26.838 27.740 0.007 0.000 3.335 247 C HN 0.496 nan 8.230 nan 0.000 0.519 248 I N 1.452 122.014 120.570 -0.014 0.000 2.179 248 I HA -0.124 4.042 4.170 -0.006 0.000 0.242 248 I C 1.584 177.693 176.117 -0.013 0.000 1.088 248 I CA 1.608 62.896 61.300 -0.020 0.000 1.357 248 I CB -0.173 37.807 38.000 -0.033 0.000 1.051 248 I HN 0.506 nan 8.210 nan 0.000 0.409 249 C N 1.310 120.604 119.300 -0.010 0.000 3.684 249 C HA 0.165 4.622 4.460 -0.006 0.000 0.584 249 C C 1.647 176.671 174.990 0.056 0.000 1.130 249 C CA 0.460 59.495 59.018 0.028 0.000 1.194 249 C CB -1.902 25.869 27.740 0.051 0.000 1.457 249 C HN 0.441 nan 8.230 nan 0.000 0.647 250 S N -0.296 115.413 115.700 0.015 0.000 2.786 250 S HA 0.125 4.591 4.470 -0.006 0.000 0.269 250 S C 1.537 176.115 174.600 -0.037 0.000 1.040 250 S CA -0.137 58.056 58.200 -0.011 0.000 1.099 250 S CB -0.163 63.028 63.200 -0.015 0.000 0.936 250 S HN 0.477 nan 8.310 nan 0.000 0.450 251 I N 2.961 123.515 120.570 -0.028 0.000 2.118 251 I HA -0.153 4.013 4.170 -0.006 0.000 0.241 251 I C 2.417 178.536 176.117 0.003 0.000 1.070 251 I CA 1.940 63.228 61.300 -0.020 0.000 1.327 251 I CB -1.182 36.812 38.000 -0.009 0.000 1.034 251 I HN 0.335 nan 8.210 nan 0.000 0.405 252 A N -0.295 122.529 122.820 0.006 0.000 2.235 252 A HA -0.018 4.298 4.320 -0.006 0.000 0.208 252 A C 2.099 179.695 177.584 0.020 0.000 1.172 252 A CA 0.433 52.478 52.037 0.015 0.000 0.786 252 A CB -0.376 18.628 19.000 0.007 0.000 0.804 252 A HN 0.343 nan 8.150 nan 0.000 0.479 253 I N -1.170 119.406 120.570 0.010 0.000 3.081 253 I HA 0.049 4.216 4.170 -0.006 0.000 0.274 253 I C 2.078 178.201 176.117 0.011 0.000 1.178 253 I CA 1.468 62.772 61.300 0.008 0.000 1.460 253 I CB -0.686 37.308 38.000 -0.010 0.000 1.137 253 I HN 0.309 nan 8.210 nan 0.000 0.443 254 G N 1.173 109.966 108.800 -0.012 0.000 2.453 254 G HA2 -0.194 3.762 3.960 -0.006 0.000 0.215 254 G HA3 -0.194 3.762 3.960 -0.006 0.000 0.215 254 G C 1.547 176.648 174.900 0.336 0.000 1.147 254 G CA 0.725 45.830 45.100 0.008 0.000 0.802 254 G HN 0.435 nan 8.290 nan 0.000 0.535 255 M N 1.395 121.108 119.600 0.189 0.000 2.229 255 M HA 0.074 4.550 4.480 -0.006 0.000 0.264 255 M C 2.162 178.517 176.300 0.093 0.000 1.063 255 M CA 1.778 57.170 55.300 0.152 0.000 1.114 255 M CB -0.700 31.951 32.600 0.086 0.000 1.387 255 M HN 0.113 nan 8.290 nan 0.000 0.420 256 V N -2.076 117.884 119.914 0.076 0.000 3.305 256 V HA 0.004 4.120 4.120 -0.006 0.000 0.269 256 V C 1.900 178.038 176.094 0.074 0.000 1.157 256 V CA 0.915 63.241 62.300 0.044 0.000 1.157 256 V CB -1.001 30.839 31.823 0.029 0.000 0.772 256 V HN 0.561 nan 8.190 nan 0.000 0.498 257 I N 0.289 120.953 120.570 0.158 0.000 3.339 257 I HA 0.094 4.261 4.170 -0.006 0.000 0.285 257 I C 2.464 178.629 176.117 0.080 0.000 1.201 257 I CA 1.183 62.604 61.300 0.201 0.000 1.434 257 I CB -0.589 37.666 38.000 0.425 0.000 1.152 257 I HN 0.445 nan 8.210 nan 0.000 0.443 258 E N 1.609 121.856 120.200 0.078 0.000 2.072 258 E HA -0.151 4.195 4.350 -0.006 0.000 0.190 258 E C 2.251 178.837 176.600 -0.023 0.000 0.982 258 E CA 1.158 57.487 56.400 -0.119 0.000 0.803 258 E CB 0.200 29.892 29.700 -0.013 0.000 0.755 258 E HN 0.369 nan 8.360 nan 0.000 0.453 259 I N 1.422 121.996 120.570 0.007 0.000 2.130 259 I HA -0.233 3.934 4.170 -0.006 0.000 0.232 259 I C 2.112 178.227 176.117 -0.003 0.000 1.064 259 I CA 0.588 61.866 61.300 -0.036 0.000 1.338 259 I CB -0.332 37.574 38.000 -0.158 0.000 1.084 259 I HN 0.140 nan 8.210 nan 0.000 0.404 260 I N 1.790 122.348 120.570 -0.019 0.000 3.294 260 I HA -0.085 4.082 4.170 -0.006 0.000 0.287 260 I C 1.381 177.514 176.117 0.027 0.000 1.328 260 I CA 1.068 62.370 61.300 0.003 0.000 1.375 260 I CB -1.346 36.654 38.000 -0.001 0.000 1.045 260 I HN 0.297 nan 8.210 nan 0.000 0.522 261 V N -2.618 117.310 119.914 0.024 0.000 3.070 261 V HA 0.328 4.445 4.120 -0.006 0.000 0.355 261 V C 0.439 176.533 176.094 0.000 0.000 1.400 261 V CA -0.111 62.195 62.300 0.010 0.000 1.170 261 V CB 0.945 32.766 31.823 -0.003 0.000 1.169 261 V HN 0.168 nan 8.190 nan 0.000 0.554 262 M N -0.374 119.261 119.600 0.057 0.000 2.199 262 M HA 0.458 4.935 4.480 -0.006 0.000 0.191 262 M C 1.368 177.750 176.300 0.136 0.000 1.744 262 M CA 1.088 56.430 55.300 0.071 0.000 1.005 262 M CB -0.385 32.252 32.600 0.063 0.000 1.478 262 M HN 0.174 nan 8.290 nan 0.000 0.585 263 Y N 1.218 121.517 120.300 -0.002 0.000 2.139 263 Y HA -0.163 4.382 4.550 -0.008 0.000 0.282 263 Y C -0.803 175.113 175.900 0.027 0.000 1.179 263 Y CA 2.607 60.721 58.100 0.024 0.000 1.161 263 Y CB -2.246 36.231 38.460 0.028 0.000 0.970 263 Y HN 0.333 nan 8.280 nan 0.000 0.511 264 P HA -0.076 nan 4.420 nan 0.000 0.217 264 P C 1.323 178.659 177.300 0.059 0.000 1.153 264 P CA 1.152 64.311 63.100 0.099 0.000 0.843 264 P CB 0.148 31.895 31.700 0.078 0.000 0.794 265 I N 0.074 120.673 120.570 0.048 0.000 2.332 265 I HA -0.145 4.021 4.170 -0.006 0.000 0.211 265 I C 1.947 178.073 176.117 0.014 0.000 1.055 265 I CA 1.415 62.729 61.300 0.023 0.000 1.366 265 I CB -2.064 35.942 38.000 0.010 0.000 1.173 265 I HN -0.066 nan 8.210 nan 0.000 0.400 266 Q N 0.285 120.087 119.800 0.003 0.000 2.557 266 Q HA -0.060 4.276 4.340 -0.006 0.000 0.217 266 Q C 0.925 176.921 176.000 -0.007 0.000 0.978 266 Q CA 0.195 55.996 55.803 -0.003 0.000 0.950 266 Q CB -0.097 28.634 28.738 -0.010 0.000 0.991 266 Q HN 0.193 nan 8.270 nan 0.000 0.533 267 R N 0.585 121.084 120.500 -0.001 0.000 3.335 267 R HA -0.324 4.013 4.340 -0.006 0.000 0.641 267 R C -0.476 175.792 176.300 -0.052 0.000 0.241 267 R CA 1.940 58.033 56.100 -0.011 0.000 1.968 267 R CB -0.428 29.876 30.300 0.007 0.000 0.788 267 R HN 0.344 nan 8.270 nan 0.000 0.648 268 R N 1.118 121.595 120.500 -0.038 0.000 2.727 268 R HA -0.199 4.137 4.340 -0.006 0.000 0.224 268 R C -0.528 175.729 176.300 -0.072 0.000 0.789 268 R CA 1.307 57.382 56.100 -0.041 0.000 0.532 268 R CB -1.224 29.067 30.300 -0.015 0.000 1.130 268 R HN 0.244 nan 8.270 nan 0.000 0.511 269 K N -0.316 119.986 120.400 -0.164 0.000 2.568 269 K HA 0.456 4.772 4.320 -0.006 0.000 0.273 269 K C -0.451 175.897 176.600 -0.421 0.000 0.951 269 K CA -0.737 55.400 56.287 -0.251 0.000 0.854 269 K CB 1.929 34.248 32.500 -0.301 0.000 1.424 269 K HN 0.150 nan 8.250 nan 0.000 0.427 270 Y N 0.703 120.751 120.300 -0.420 0.000 2.203 270 Y HA -0.071 4.477 4.550 -0.002 0.000 0.075 270 Y C 1.162 177.072 175.900 0.017 0.000 1.015 270 Y CA 0.745 58.711 58.100 -0.224 0.000 1.747 270 Y CB 0.087 38.512 38.460 -0.058 0.000 1.065 270 Y HN 0.473 nan 8.280 nan 0.000 0.179 271 R N 0.980 121.788 120.500 0.513 0.000 2.170 271 R HA -0.101 4.236 4.340 -0.006 0.000 0.242 271 R C 0.561 176.928 176.300 0.112 0.000 1.145 271 R CA 2.073 58.352 56.100 0.298 0.000 0.984 271 R CB -0.335 30.076 30.300 0.185 0.000 0.869 271 R HN 0.362 nan 8.270 nan 0.000 0.455 272 D N 0.229 120.672 120.400 0.071 0.000 2.277 272 D HA 0.019 4.656 4.640 -0.006 0.000 0.209 272 D C 2.022 178.374 176.300 0.087 0.000 0.970 272 D CA 1.240 55.267 54.000 0.046 0.000 0.874 272 D CB -0.225 40.591 40.800 0.027 0.000 0.982 272 D HN 0.436 nan 8.370 nan 0.000 0.504 273 G N 1.186 110.012 108.800 0.043 0.000 2.421 273 G HA2 -0.140 3.816 3.960 -0.006 0.000 0.217 273 G HA3 -0.140 3.816 3.960 -0.006 0.000 0.217 273 G C 1.574 176.571 174.900 0.162 0.000 1.143 273 G CA 0.077 45.226 45.100 0.082 0.000 0.784 273 G HN 0.115 nan 8.290 nan 0.000 0.541 274 I N 2.028 122.671 120.570 0.121 0.000 2.179 274 I HA -0.105 4.062 4.170 -0.006 0.000 0.242 274 I C 2.203 178.371 176.117 0.083 0.000 1.088 274 I CA 1.083 62.425 61.300 0.070 0.000 1.357 274 I CB -0.806 37.192 38.000 -0.003 0.000 1.051 274 I HN 0.116 nan 8.210 nan 0.000 0.409 275 D N 0.928 121.385 120.400 0.095 0.000 2.133 275 D HA -0.193 4.443 4.640 -0.006 0.000 0.195 275 D C 1.700 178.096 176.300 0.161 0.000 0.997 275 D CA 1.228 55.298 54.000 0.116 0.000 0.840 275 D CB -0.456 40.413 40.800 0.115 0.000 0.947 275 D HN 0.314 nan 8.370 nan 0.000 0.452 276 N N -0.010 118.796 118.700 0.176 0.000 2.494 276 N HA 0.013 4.749 4.740 -0.006 0.000 0.182 276 N C 1.674 177.292 175.510 0.180 0.000 1.076 276 N CA 0.020 53.190 53.050 0.200 0.000 0.908 276 N CB 0.102 38.689 38.487 0.167 0.000 0.967 276 N HN 0.247 nan 8.380 nan 0.000 0.449 277 L N -0.492 120.816 121.223 0.141 0.000 2.221 277 L HA 0.136 4.472 4.340 -0.006 0.000 0.202 277 L C 1.535 178.463 176.870 0.096 0.000 1.074 277 L CA 0.397 55.304 54.840 0.111 0.000 0.795 277 L CB 0.023 42.126 42.059 0.074 0.000 0.960 277 L HN 0.024 nan 8.230 nan 0.000 0.458 278 L N -0.346 120.928 121.223 0.085 0.000 2.362 278 L HA -0.114 4.222 4.340 -0.006 0.000 0.219 278 L C 2.193 179.111 176.870 0.080 0.000 1.134 278 L CA 1.532 56.409 54.840 0.063 0.000 0.807 278 L CB -0.254 41.835 42.059 0.050 0.000 0.927 278 L HN 0.313 nan 8.230 nan 0.000 0.447 279 V N -4.397 115.597 119.914 0.133 0.000 2.302 279 V HA -0.171 3.945 4.120 -0.006 0.000 0.243 279 V C 2.320 178.507 176.094 0.156 0.000 1.036 279 V CA 1.100 63.490 62.300 0.149 0.000 1.020 279 V CB -0.956 31.032 31.823 0.274 0.000 0.657 279 V HN 0.236 nan 8.190 nan 0.000 0.453 280 L N 0.266 121.609 121.223 0.199 0.000 1.991 280 L HA -0.187 4.150 4.340 -0.006 0.000 0.221 280 L C 2.345 179.274 176.870 0.099 0.000 1.079 280 L CA 2.244 57.190 54.840 0.177 0.000 0.778 280 L CB -0.780 41.377 42.059 0.162 0.000 0.893 280 L HN 0.330 nan 8.230 nan 0.000 0.437 281 L N -1.040 120.225 121.223 0.070 0.000 2.762 281 L HA -0.080 4.257 4.340 -0.006 0.000 0.250 281 L C 1.263 178.145 176.870 0.020 0.000 1.160 281 L CA 0.262 55.123 54.840 0.035 0.000 0.951 281 L CB -0.223 41.848 42.059 0.021 0.000 1.148 281 L HN 0.377 nan 8.230 nan 0.000 0.424 282 I N -1.929 118.656 120.570 0.026 0.000 5.362 282 I HA 0.118 4.285 4.170 -0.006 0.000 0.359 282 I C 1.684 177.800 176.117 -0.001 0.000 1.172 282 I CA 0.253 61.554 61.300 0.002 0.000 1.577 282 I CB 0.310 38.299 38.000 -0.017 0.000 1.845 282 I HN -0.086 nan 8.210 nan 0.000 0.632 283 G N 0.771 109.582 108.800 0.017 0.000 3.414 283 G HA2 0.460 4.416 3.960 -0.006 0.000 0.258 283 G HA3 0.460 4.416 3.960 -0.006 0.000 0.258 283 G C 0.745 175.710 174.900 0.108 0.000 1.348 283 G CA 0.477 45.584 45.100 0.012 0.000 1.319 283 G HN 0.613 nan 8.290 nan 0.000 0.555 284 G N -0.070 108.754 108.800 0.041 0.000 5.569 284 G HA2 0.326 4.282 3.960 -0.006 0.000 0.192 284 G HA3 0.326 4.282 3.960 -0.006 0.000 0.192 284 G C -0.937 173.958 174.900 -0.009 0.000 0.708 284 G CA -0.379 44.725 45.100 0.006 0.000 0.628 284 G HN 0.144 nan 8.290 nan 0.000 0.345 285 I N 1.062 121.631 120.570 -0.001 0.000 2.448 285 I HA 0.410 4.576 4.170 -0.006 0.000 0.281 285 I C -1.286 174.841 176.117 0.017 0.000 1.027 285 I CA -2.596 58.709 61.300 0.007 0.000 1.111 285 I CB 2.355 40.364 38.000 0.014 0.000 1.236 285 I HN -0.137 nan 8.210 nan 0.000 0.452 286 P HA -0.212 nan 4.420 nan 0.000 0.220 286 P C 1.501 178.848 177.300 0.079 0.000 1.155 286 P CA 1.415 64.537 63.100 0.037 0.000 0.880 286 P CB 0.226 31.945 31.700 0.033 0.000 0.790 287 I N -3.366 117.253 120.570 0.082 0.000 3.918 287 I HA -0.399 3.768 4.170 -0.006 0.000 0.140 287 I C 1.488 177.668 176.117 0.106 0.000 0.414 287 I CA 2.091 63.449 61.300 0.096 0.000 1.224 287 I CB -2.083 35.965 38.000 0.079 0.000 1.076 287 I HN 0.097 nan 8.210 nan 0.000 0.213 288 A N -0.196 122.701 122.820 0.128 0.000 1.993 288 A HA 0.060 4.376 4.320 -0.006 0.000 0.207 288 A C 2.131 179.816 177.584 0.168 0.000 1.224 288 A CA 0.940 53.062 52.037 0.142 0.000 0.749 288 A CB -0.342 18.770 19.000 0.187 0.000 0.884 288 A HN 0.534 nan 8.150 nan 0.000 0.467 289 M N 0.438 120.156 119.600 0.197 0.000 2.327 289 M HA -0.118 4.358 4.480 -0.006 0.000 0.258 289 M C -1.275 175.105 176.300 0.133 0.000 1.079 289 M CA 2.183 57.592 55.300 0.182 0.000 1.056 289 M CB -0.822 31.850 32.600 0.120 0.000 1.387 289 M HN 0.162 nan 8.290 nan 0.000 0.423 290 P HA 0.053 nan 4.420 nan 0.000 0.217 290 P C 0.993 178.360 177.300 0.111 0.000 1.154 290 P CA 1.445 64.614 63.100 0.116 0.000 0.841 290 P CB 0.096 31.876 31.700 0.134 0.000 0.790 291 T N -1.003 113.610 114.554 0.099 0.000 3.021 291 T HA -0.000 4.346 4.350 -0.006 0.000 0.245 291 T C 1.786 176.508 174.700 0.037 0.000 1.028 291 T CA 0.970 63.112 62.100 0.071 0.000 1.139 291 T CB -1.031 67.865 68.868 0.046 0.000 0.884 291 T HN -0.108 nan 8.240 nan 0.000 0.457 292 V N 1.967 121.895 119.914 0.022 0.000 2.215 292 V HA -0.172 3.945 4.120 -0.006 0.000 0.246 292 V C 2.361 178.420 176.094 -0.059 0.000 1.047 292 V CA 1.583 63.827 62.300 -0.094 0.000 0.999 292 V CB -1.611 30.030 31.823 -0.302 0.000 0.635 292 V HN 0.375 nan 8.190 nan 0.000 0.450 293 L N 1.000 122.247 121.223 0.040 0.000 2.151 293 L HA -0.247 4.089 4.340 -0.006 0.000 0.215 293 L C 2.989 179.897 176.870 0.062 0.000 1.084 293 L CA 2.136 57.026 54.840 0.082 0.000 0.764 293 L CB -0.769 41.380 42.059 0.151 0.000 0.891 293 L HN 0.676 nan 8.230 nan 0.000 0.435 294 S N -0.178 115.558 115.700 0.062 0.000 2.338 294 S HA -0.148 4.319 4.470 -0.006 0.000 0.218 294 S C 2.028 176.654 174.600 0.043 0.000 1.032 294 S CA 1.478 59.717 58.200 0.064 0.000 0.999 294 S CB -0.366 62.879 63.200 0.075 0.000 0.905 294 S HN 0.319 nan 8.310 nan 0.000 0.439 295 V N 0.478 120.405 119.914 0.023 0.000 2.261 295 V HA -0.071 4.046 4.120 -0.006 0.000 0.246 295 V C 2.589 178.685 176.094 0.005 0.000 1.047 295 V CA 2.672 64.979 62.300 0.012 0.000 1.015 295 V CB -2.255 29.566 31.823 -0.003 0.000 0.642 295 V HN 0.677 nan 8.190 nan 0.000 0.446 296 T N -1.371 113.169 114.554 -0.024 0.000 2.918 296 T HA -0.219 4.127 4.350 -0.006 0.000 0.271 296 T C 1.582 176.294 174.700 0.020 0.000 1.104 296 T CA 2.386 64.474 62.100 -0.021 0.000 1.114 296 T CB -0.489 68.340 68.868 -0.066 0.000 0.855 296 T HN 0.588 nan 8.240 nan 0.000 0.518 297 M N -1.003 118.618 119.600 0.035 0.000 2.337 297 M HA 0.472 4.948 4.480 -0.006 0.000 0.256 297 M C 1.780 178.111 176.300 0.051 0.000 1.075 297 M CA 0.245 55.579 55.300 0.057 0.000 1.024 297 M CB 0.315 32.959 32.600 0.074 0.000 1.429 297 M HN 0.332 nan 8.290 nan 0.000 0.497 298 A N -0.528 122.317 122.820 0.041 0.000 2.229 298 A HA 0.193 4.509 4.320 -0.006 0.000 0.211 298 A C 1.445 179.047 177.584 0.029 0.000 1.193 298 A CA 0.150 52.204 52.037 0.029 0.000 0.879 298 A CB -0.029 18.986 19.000 0.026 0.000 0.911 298 A HN 0.415 nan 8.150 nan 0.000 0.492 299 I N -0.131 120.465 120.570 0.044 0.000 3.419 299 I HA 0.122 4.289 4.170 -0.006 0.000 0.286 299 I C 2.115 178.277 176.117 0.074 0.000 1.268 299 I CA 0.871 62.211 61.300 0.068 0.000 1.414 299 I CB 0.010 38.040 38.000 0.050 0.000 1.074 299 I HN 0.222 nan 8.210 nan 0.000 0.457 300 G N -0.823 108.012 108.800 0.059 0.000 2.403 300 G HA2 -0.248 3.709 3.960 -0.006 0.000 0.216 300 G HA3 -0.248 3.709 3.960 -0.006 0.000 0.216 300 G C 1.740 176.678 174.900 0.065 0.000 1.154 300 G CA 0.835 45.971 45.100 0.061 0.000 0.784 300 G HN 0.434 nan 8.290 nan 0.000 0.538 301 S N -0.152 115.578 115.700 0.051 0.000 2.374 301 S HA -0.252 4.214 4.470 -0.006 0.000 0.227 301 S C 2.200 176.841 174.600 0.068 0.000 1.037 301 S CA 1.855 60.074 58.200 0.032 0.000 1.024 301 S CB -0.563 62.630 63.200 -0.013 0.000 0.861 301 S HN 0.467 nan 8.310 nan 0.000 0.456 302 H N 2.624 121.703 119.070 0.016 0.000 2.256 302 H HA 0.038 4.590 4.556 -0.007 0.000 0.299 302 H C 2.395 177.730 175.328 0.012 0.000 1.071 302 H CA 2.074 58.130 56.048 0.013 0.000 1.280 302 H CB -0.482 29.287 29.762 0.012 0.000 1.370 302 H HN 0.578 nan 8.280 nan 0.000 0.490 303 R N 0.161 120.752 120.500 0.151 0.000 2.303 303 R HA -0.101 4.235 4.340 -0.006 0.000 0.225 303 R C 1.982 178.322 176.300 0.066 0.000 1.114 303 R CA 0.594 56.736 56.100 0.070 0.000 1.007 303 R CB -0.299 30.027 30.300 0.043 0.000 0.861 303 R HN 0.193 nan 8.270 nan 0.000 0.471 304 L N 1.857 123.127 121.223 0.078 0.000 1.960 304 L HA -0.050 4.287 4.340 -0.006 0.000 0.209 304 L C 1.692 178.596 176.870 0.057 0.000 1.090 304 L CA 2.078 56.951 54.840 0.055 0.000 0.759 304 L CB -1.257 40.829 42.059 0.045 0.000 0.892 304 L HN 0.198 nan 8.230 nan 0.000 0.436 305 S N -0.443 115.299 115.700 0.070 0.000 2.751 305 S HA -0.150 4.317 4.470 -0.006 0.000 0.248 305 S C 1.314 175.963 174.600 0.082 0.000 0.979 305 S CA 0.555 58.795 58.200 0.068 0.000 0.987 305 S CB -0.505 62.732 63.200 0.062 0.000 0.777 305 S HN 0.562 nan 8.310 nan 0.000 0.544 306 Q N -0.460 119.382 119.800 0.070 0.000 2.245 306 Q HA 0.204 4.540 4.340 -0.006 0.000 0.236 306 Q C 1.855 177.871 176.000 0.027 0.000 0.842 306 Q CA -0.019 55.811 55.803 0.045 0.000 0.945 306 Q CB 0.150 28.902 28.738 0.025 0.000 1.122 306 Q HN 0.619 nan 8.270 nan 0.000 0.506 307 Q N -0.964 118.853 119.800 0.028 0.000 2.302 307 Q HA 0.016 4.353 4.340 -0.006 0.000 0.202 307 Q C 1.012 177.021 176.000 0.015 0.000 0.936 307 Q CA 1.129 56.943 55.803 0.018 0.000 0.886 307 Q CB 0.600 29.349 28.738 0.018 0.000 0.986 307 Q HN 0.436 nan 8.270 nan 0.000 0.487 308 G N -0.611 108.200 108.800 0.019 0.000 3.514 308 G HA2 -0.112 3.844 3.960 -0.006 0.000 0.197 308 G HA3 -0.112 3.844 3.960 -0.006 0.000 0.197 308 G C -0.229 174.679 174.900 0.014 0.000 1.098 308 G CA -0.244 44.865 45.100 0.015 0.000 0.884 308 G HN 0.396 nan 8.290 nan 0.000 0.433 309 A N 1.368 124.196 122.820 0.014 0.000 2.309 309 A HA 0.760 5.077 4.320 -0.006 0.000 0.290 309 A C 0.667 178.260 177.584 0.015 0.000 1.206 309 A CA -0.245 51.799 52.037 0.011 0.000 0.850 309 A CB 0.078 19.083 19.000 0.007 0.000 1.118 309 A HN 0.473 nan 8.150 nan 0.000 0.523 310 I N 0.680 121.256 120.570 0.011 0.000 3.488 310 I HA 0.425 4.591 4.170 -0.006 0.000 0.259 310 I C 1.000 177.120 176.117 0.005 0.000 1.247 310 I CA -0.183 61.122 61.300 0.008 0.000 0.812 310 I CB 1.087 39.089 38.000 0.004 0.000 1.672 310 I HN 0.616 nan 8.210 nan 0.000 0.819 311 T N -0.576 113.978 114.554 0.001 0.000 2.883 311 T HA 0.308 4.654 4.350 -0.006 0.000 0.301 311 T C -0.038 174.665 174.700 0.004 0.000 1.158 311 T CA -0.529 61.573 62.100 0.003 0.000 1.007 311 T CB 1.908 70.778 68.868 0.005 0.000 1.186 311 T HN 0.532 nan 8.240 nan 0.000 0.499 312 K N 1.582 121.988 120.400 0.009 0.000 2.266 312 K HA 0.402 4.719 4.320 -0.006 0.000 0.209 312 K C 0.407 177.024 176.600 0.029 0.000 1.065 312 K CA 0.789 57.085 56.287 0.015 0.000 0.946 312 K CB 0.449 32.958 32.500 0.015 0.000 1.069 312 K HN 0.490 nan 8.250 nan 0.000 0.472 313 R N 1.876 122.399 120.500 0.038 0.000 2.644 313 R HA 0.197 4.534 4.340 -0.006 0.000 0.271 313 R C 0.807 177.133 176.300 0.043 0.000 1.687 313 R CA -0.104 56.041 56.100 0.075 0.000 1.655 313 R CB 0.769 31.144 30.300 0.124 0.000 1.285 313 R HN 0.287 nan 8.270 nan 0.000 0.643 314 M N -1.012 118.608 119.600 0.034 0.000 2.413 314 M HA -0.157 4.320 4.480 -0.006 0.000 0.258 314 M C 0.369 176.663 176.300 -0.009 0.000 1.081 314 M CA 1.909 57.217 55.300 0.013 0.000 1.047 314 M CB -1.016 31.598 32.600 0.023 0.000 1.390 314 M HN 0.110 nan 8.290 nan 0.000 0.438 315 T N 1.907 116.449 114.554 -0.021 0.000 2.849 315 T HA -0.002 4.344 4.350 -0.006 0.000 0.270 315 T C 1.907 176.492 174.700 -0.192 0.000 1.066 315 T CA 1.739 63.763 62.100 -0.127 0.000 1.130 315 T CB -0.537 68.112 68.868 -0.365 0.000 0.864 315 T HN 0.709 nan 8.240 nan 0.000 0.481 316 A N 1.034 123.753 122.820 -0.168 0.000 2.248 316 A HA 0.098 4.415 4.320 -0.006 0.000 0.210 316 A C 1.759 179.274 177.584 -0.116 0.000 1.174 316 A CA 0.404 52.341 52.037 -0.166 0.000 0.750 316 A CB -0.678 18.250 19.000 -0.120 0.000 0.780 316 A HN 0.371 nan 8.150 nan 0.000 0.478 317 I N 0.100 120.626 120.570 -0.073 0.000 2.830 317 I HA -0.114 4.052 4.170 -0.006 0.000 0.263 317 I C 2.155 178.235 176.117 -0.061 0.000 1.230 317 I CA 0.794 62.069 61.300 -0.041 0.000 1.480 317 I CB -1.055 36.950 38.000 0.008 0.000 1.095 317 I HN 0.447 nan 8.210 nan 0.000 0.455 318 E N 1.183 121.340 120.200 -0.073 0.000 2.338 318 E HA -0.184 4.162 4.350 -0.006 0.000 0.197 318 E C 1.405 177.856 176.600 -0.249 0.000 1.007 318 E CA 0.798 57.129 56.400 -0.115 0.000 0.849 318 E CB 0.397 30.093 29.700 -0.006 0.000 0.774 318 E HN 0.512 nan 8.360 nan 0.000 0.506 319 E N -0.402 119.683 120.200 -0.191 0.000 2.276 319 E HA -0.005 4.342 4.350 -0.006 0.000 0.193 319 E C 1.905 178.413 176.600 -0.152 0.000 0.983 319 E CA 0.095 56.386 56.400 -0.181 0.000 0.861 319 E CB -0.026 29.580 29.700 -0.157 0.000 0.817 319 E HN 0.279 nan 8.360 nan 0.000 0.485 320 M N 0.441 119.966 119.600 -0.125 0.000 2.549 320 M HA 0.008 4.484 4.480 -0.006 0.000 0.260 320 M C 1.960 178.194 176.300 -0.111 0.000 1.076 320 M CA 0.707 55.952 55.300 -0.091 0.000 1.090 320 M CB -0.782 31.784 32.600 -0.055 0.000 1.418 320 M HN 0.009 nan 8.290 nan 0.000 0.486 321 A N -0.455 122.249 122.820 -0.193 0.000 2.115 321 A HA 0.344 4.661 4.320 -0.006 0.000 0.211 321 A C 2.296 179.736 177.584 -0.241 0.000 1.169 321 A CA 1.001 52.893 52.037 -0.242 0.000 0.787 321 A CB -0.670 18.041 19.000 -0.483 0.000 0.858 321 A HN 0.468 nan 8.150 nan 0.000 0.474 322 G N -1.556 107.098 108.800 -0.243 0.000 2.603 322 G HA2 0.100 4.056 3.960 -0.006 0.000 0.214 322 G HA3 0.100 4.056 3.960 -0.006 0.000 0.214 322 G C 0.820 175.652 174.900 -0.115 0.000 1.140 322 G CA -0.163 44.831 45.100 -0.176 0.000 0.800 322 G HN 0.260 nan 8.290 nan 0.000 0.533 323 M N 2.466 122.006 119.600 -0.101 0.000 3.364 323 M HA -0.107 4.370 4.480 -0.006 0.000 0.353 323 M C 1.239 177.509 176.300 -0.050 0.000 1.817 323 M CA 0.420 55.682 55.300 -0.064 0.000 1.564 323 M CB -0.694 31.874 32.600 -0.054 0.000 1.730 323 M HN 0.347 nan 8.290 nan 0.000 0.487 324 D N 1.538 121.906 120.400 -0.053 0.000 2.156 324 D HA -0.142 4.494 4.640 -0.006 0.000 0.190 324 D C 0.343 176.641 176.300 -0.003 0.000 0.998 324 D CA 1.460 55.425 54.000 -0.059 0.000 0.842 324 D CB 0.469 41.201 40.800 -0.113 0.000 0.974 324 D HN 0.391 nan 8.370 nan 0.000 0.447 325 V N 1.409 121.347 119.914 0.040 0.000 2.577 325 V HA 0.358 4.474 4.120 -0.006 0.000 0.294 325 V C -0.976 175.136 176.094 0.030 0.000 1.052 325 V CA -0.832 61.496 62.300 0.046 0.000 0.891 325 V CB 1.348 33.228 31.823 0.095 0.000 1.017 325 V HN 0.146 nan 8.190 nan 0.000 0.436 326 L N 8.228 129.453 121.223 0.005 0.000 2.331 326 L HA 0.731 5.067 4.340 -0.006 0.000 0.278 326 L C 0.177 177.037 176.870 -0.016 0.000 1.106 326 L CA -0.083 54.755 54.840 -0.004 0.000 0.824 326 L CB 0.758 42.809 42.059 -0.013 0.000 1.142 326 L HN 0.997 nan 8.230 nan 0.000 0.443 327 C N 2.632 121.922 119.300 -0.016 0.000 2.355 327 C HA 0.832 5.289 4.460 -0.006 0.000 0.332 327 C C 0.269 175.236 174.990 -0.039 0.000 1.255 327 C CA -0.718 58.272 59.018 -0.047 0.000 1.792 327 C CB 0.534 28.243 27.740 -0.052 0.000 2.300 327 C HN 0.877 nan 8.230 nan 0.000 0.515 328 S N 1.636 117.301 115.700 -0.059 0.000 2.648 328 S HA 0.585 5.052 4.470 -0.006 0.000 0.305 328 S C -0.748 173.824 174.600 -0.046 0.000 1.094 328 S CA -0.347 57.827 58.200 -0.044 0.000 0.983 328 S CB 1.125 64.299 63.200 -0.045 0.000 1.101 328 S HN 0.859 nan 8.310 nan 0.000 0.514 329 D N 2.179 122.562 120.400 -0.029 0.000 2.304 329 D HA 0.229 4.866 4.640 -0.006 0.000 0.247 329 D C 0.842 177.122 176.300 -0.033 0.000 1.089 329 D CA -0.318 53.668 54.000 -0.024 0.000 0.910 329 D CB 1.133 41.926 40.800 -0.012 0.000 1.199 329 D HN 0.553 nan 8.370 nan 0.000 0.426 330 K N 0.601 120.981 120.400 -0.033 0.000 1.969 330 K HA -0.063 4.253 4.320 -0.006 0.000 0.220 330 K C 0.355 176.935 176.600 -0.034 0.000 1.040 330 K CA 0.874 57.140 56.287 -0.035 0.000 0.981 330 K CB -0.303 32.178 32.500 -0.030 0.000 0.746 330 K HN 0.468 nan 8.250 nan 0.000 0.444 331 T N -0.436 114.100 114.554 -0.029 0.000 2.791 331 T HA 0.144 4.490 4.350 -0.006 0.000 0.323 331 T C 0.943 175.628 174.700 -0.026 0.000 1.082 331 T CA 0.394 62.475 62.100 -0.030 0.000 1.084 331 T CB 0.272 69.127 68.868 -0.021 0.000 0.992 331 T HN 0.621 nan 8.240 nan 0.000 0.547 332 G N 0.520 109.304 108.800 -0.027 0.000 2.244 332 G HA2 -0.278 3.678 3.960 -0.006 0.000 0.274 332 G HA3 -0.278 3.678 3.960 -0.006 0.000 0.274 332 G C 0.497 175.384 174.900 -0.022 0.000 1.002 332 G CA 1.057 46.145 45.100 -0.020 0.000 0.740 332 G HN 0.932 nan 8.290 nan 0.000 0.516 333 T N -1.649 112.887 114.554 -0.030 0.000 3.360 333 T HA 0.115 4.462 4.350 -0.006 0.000 0.092 333 T C 1.457 176.132 174.700 -0.042 0.000 0.661 333 T CA 0.230 62.310 62.100 -0.032 0.000 0.607 333 T CB -0.553 68.300 68.868 -0.026 0.000 1.125 333 T HN 0.436 nan 8.240 nan 0.000 0.226 334 L N 2.736 123.933 121.223 -0.043 0.000 2.357 334 L HA 0.056 4.392 4.340 -0.006 0.000 0.220 334 L C 0.839 177.677 176.870 -0.052 0.000 1.123 334 L CA 1.735 56.546 54.840 -0.049 0.000 0.782 334 L CB -0.709 41.321 42.059 -0.049 0.000 0.910 334 L HN 0.783 nan 8.230 nan 0.000 0.442 335 T N -6.884 107.638 114.554 -0.053 0.000 2.841 335 T HA 0.243 4.590 4.350 -0.006 0.000 0.296 335 T C 0.584 175.246 174.700 -0.063 0.000 1.166 335 T CA -0.446 61.615 62.100 -0.065 0.000 1.007 335 T CB 0.762 69.586 68.868 -0.075 0.000 1.253 335 T HN -0.063 nan 8.240 nan 0.000 0.511 336 L N 1.079 122.255 121.223 -0.077 0.000 2.201 336 L HA 0.096 4.432 4.340 -0.006 0.000 0.212 336 L C 1.062 177.895 176.870 -0.061 0.000 1.105 336 L CA 1.465 56.266 54.840 -0.065 0.000 0.775 336 L CB -0.641 41.375 42.059 -0.072 0.000 0.913 336 L HN 1.096 nan 8.230 nan 0.000 0.440 337 N N 0.550 119.204 118.700 -0.076 0.000 2.681 337 N HA -0.251 4.485 4.740 -0.006 0.000 0.259 337 N C -0.732 174.743 175.510 -0.059 0.000 1.066 337 N CA 0.859 53.873 53.050 -0.060 0.000 0.717 337 N CB -0.951 37.516 38.487 -0.034 0.000 0.885 337 N HN 0.317 nan 8.380 nan 0.000 0.547 338 K N 1.295 121.641 120.400 -0.089 0.000 2.615 338 K HA 0.526 4.842 4.320 -0.006 0.000 0.249 338 K C -1.285 175.256 176.600 -0.099 0.000 0.977 338 K CA -0.542 55.701 56.287 -0.073 0.000 0.833 338 K CB 0.744 33.207 32.500 -0.062 0.000 1.208 338 K HN 0.234 nan 8.250 nan 0.000 0.443 339 L N 1.503 122.693 121.223 -0.056 0.000 2.344 339 L HA 0.764 5.100 4.340 -0.006 0.000 0.272 339 L C -0.331 176.542 176.870 0.005 0.000 1.035 339 L CA -0.721 54.100 54.840 -0.031 0.000 0.807 339 L CB 2.101 44.156 42.059 -0.006 0.000 1.237 339 L HN 0.534 nan 8.230 nan 0.000 0.442 340 S N 0.284 116.014 115.700 0.050 0.000 2.582 340 S HA 0.504 4.970 4.470 -0.006 0.000 0.287 340 S C -0.863 173.786 174.600 0.081 0.000 1.146 340 S CA -0.667 57.566 58.200 0.055 0.000 0.941 340 S CB 1.826 65.056 63.200 0.049 0.000 1.115 340 S HN 0.270 nan 8.310 nan 0.000 0.458 341 V N 3.450 123.384 119.914 0.033 0.000 2.713 341 V HA 0.603 4.720 4.120 -0.006 0.000 0.307 341 V C -0.298 175.783 176.094 -0.022 0.000 1.052 341 V CA -0.776 61.524 62.300 0.000 0.000 0.967 341 V CB 1.851 33.658 31.823 -0.026 0.000 1.019 341 V HN 0.948 nan 8.190 nan 0.000 0.459 342 D N 2.110 122.475 120.400 -0.057 0.000 2.616 342 D HA 0.374 5.010 4.640 -0.006 0.000 0.260 342 D C -0.406 175.853 176.300 -0.068 0.000 1.158 342 D CA -1.015 52.947 54.000 -0.063 0.000 1.085 342 D CB 0.826 41.575 40.800 -0.084 0.000 1.222 342 D HN 0.099 nan 8.370 nan 0.000 0.626 343 K N -0.225 120.139 120.400 -0.060 0.000 2.997 343 K HA 0.272 4.588 4.320 -0.006 0.000 0.249 343 K C -0.779 175.788 176.600 -0.055 0.000 1.284 343 K CA -0.342 55.915 56.287 -0.050 0.000 1.245 343 K CB -1.098 31.381 32.500 -0.035 0.000 1.670 343 K HN 0.326 nan 8.250 nan 0.000 0.385 344 N N 0.405 119.058 118.700 -0.079 0.000 2.451 344 N HA 0.132 4.869 4.740 -0.006 0.000 0.271 344 N C -0.651 174.818 175.510 -0.069 0.000 1.410 344 N CA -0.543 52.457 53.050 -0.084 0.000 0.884 344 N CB 0.026 38.429 38.487 -0.139 0.000 1.332 344 N HN 0.098 nan 8.380 nan 0.000 0.498 345 L N -1.594 119.614 121.223 -0.024 0.000 2.307 345 L HA 0.844 5.180 4.340 -0.006 0.000 0.284 345 L C 0.157 177.065 176.870 0.063 0.000 1.023 345 L CA -1.319 53.553 54.840 0.052 0.000 0.810 345 L CB 1.023 43.088 42.059 0.010 0.000 1.231 345 L HN -0.087 nan 8.230 nan 0.000 0.423 346 V N 0.449 120.429 119.914 0.110 0.000 3.336 346 V HA 0.682 4.798 4.120 -0.006 0.000 0.304 346 V C -0.094 176.026 176.094 0.043 0.000 1.073 346 V CA -0.309 62.033 62.300 0.069 0.000 1.074 346 V CB 1.266 33.136 31.823 0.078 0.000 1.161 346 V HN 1.052 nan 8.190 nan 0.000 0.460 347 E N 1.290 121.517 120.200 0.044 0.000 2.502 347 E HA 0.238 4.585 4.350 -0.006 0.000 0.261 347 E C -0.014 176.639 176.600 0.089 0.000 0.974 347 E CA -0.402 56.024 56.400 0.044 0.000 0.795 347 E CB 0.852 30.574 29.700 0.037 0.000 1.385 347 E HN 0.673 nan 8.360 nan 0.000 0.400 348 V N 0.798 120.791 119.914 0.131 0.000 3.078 348 V HA 0.032 4.148 4.120 -0.006 0.000 0.265 348 V C 1.374 177.616 176.094 0.247 0.000 1.122 348 V CA 0.661 63.080 62.300 0.198 0.000 1.141 348 V CB -1.328 30.679 31.823 0.308 0.000 0.735 348 V HN 0.397 nan 8.190 nan 0.000 0.498 349 F N -0.117 119.866 119.950 0.056 0.000 2.407 349 F HA 0.599 5.123 4.527 -0.006 0.000 0.181 349 F C 0.690 176.507 175.800 0.028 0.000 0.769 349 F CA -0.979 57.049 58.000 0.048 0.000 1.031 349 F CB 0.619 39.629 39.000 0.016 0.000 2.270 349 F HN 0.033 nan 8.300 nan 0.000 0.702 350 C N 2.993 122.083 119.300 -0.350 0.000 2.854 350 C HA 0.433 4.889 4.460 -0.006 0.000 0.389 350 C C -1.478 173.387 174.990 -0.208 0.000 0.915 350 C CA -0.760 58.089 59.018 -0.281 0.000 1.236 350 C CB -1.007 26.526 27.740 -0.344 0.000 1.505 350 C HN 0.633 nan 8.230 nan 0.000 0.542 351 K N 2.229 122.645 120.400 0.026 0.000 2.946 351 K HA 0.359 4.675 4.320 -0.006 0.000 0.335 351 K C -0.013 176.648 176.600 0.101 0.000 1.251 351 K CA 0.806 57.135 56.287 0.070 0.000 1.007 351 K CB 0.091 32.661 32.500 0.117 0.000 1.323 351 K HN 2.090 nan 8.250 nan 0.000 0.419 352 G N 2.644 111.473 108.800 0.049 0.000 2.367 352 G HA2 -0.237 3.720 3.960 -0.006 0.000 0.295 352 G HA3 -0.237 3.720 3.960 -0.006 0.000 0.295 352 G C 0.226 175.144 174.900 0.031 0.000 1.019 352 G CA 0.226 45.345 45.100 0.032 0.000 1.224 352 G HN 0.761 nan 8.290 nan 0.000 0.510 353 V N -0.227 119.701 119.914 0.023 0.000 3.209 353 V HA 0.123 4.239 4.120 -0.006 0.000 0.305 353 V C 1.850 177.948 176.094 0.006 0.000 1.127 353 V CA 1.019 63.330 62.300 0.018 0.000 1.235 353 V CB 0.035 31.864 31.823 0.010 0.000 0.987 353 V HN 0.881 nan 8.190 nan 0.000 0.499 354 E N 1.282 121.482 120.200 0.000 0.000 3.549 354 E HA -0.399 3.948 4.350 -0.006 0.000 0.447 354 E C 1.911 178.502 176.600 -0.016 0.000 1.471 354 E CA 2.367 58.759 56.400 -0.013 0.000 1.397 354 E CB -0.671 29.021 29.700 -0.013 0.000 1.307 354 E HN 0.741 nan 8.360 nan 0.000 0.346 355 K N 0.530 120.923 120.400 -0.012 0.000 2.163 355 K HA -0.258 4.058 4.320 -0.006 0.000 0.210 355 K C 1.638 178.234 176.600 -0.007 0.000 1.048 355 K CA 2.199 58.480 56.287 -0.010 0.000 0.928 355 K CB -0.481 32.014 32.500 -0.009 0.000 0.716 355 K HN 0.269 nan 8.250 nan 0.000 0.459 356 D N 0.133 120.530 120.400 -0.006 0.000 2.083 356 D HA -0.172 4.465 4.640 -0.006 0.000 0.199 356 D C 1.936 178.234 176.300 -0.004 0.000 0.980 356 D CA 1.065 55.062 54.000 -0.005 0.000 0.851 356 D CB -0.469 40.330 40.800 -0.001 0.000 0.997 356 D HN 0.187 nan 8.370 nan 0.000 0.449 357 Q N 1.091 120.885 119.800 -0.010 0.000 2.188 357 Q HA -0.276 4.060 4.340 -0.006 0.000 0.217 357 Q C 2.121 178.129 176.000 0.013 0.000 1.018 357 Q CA 3.094 58.884 55.803 -0.022 0.000 0.910 357 Q CB -0.537 28.166 28.738 -0.058 0.000 0.979 357 Q HN 0.337 nan 8.270 nan 0.000 0.413 358 V N -0.963 118.954 119.914 0.005 0.000 2.216 358 V HA -0.273 3.844 4.120 -0.006 0.000 0.243 358 V C 2.739 178.914 176.094 0.135 0.000 1.044 358 V CA 2.016 64.352 62.300 0.060 0.000 0.995 358 V CB -1.293 30.540 31.823 0.018 0.000 0.633 358 V HN 0.323 nan 8.190 nan 0.000 0.446 359 L N -0.352 120.903 121.223 0.054 0.000 2.051 359 L HA -0.225 4.111 4.340 -0.006 0.000 0.214 359 L C 2.683 179.550 176.870 -0.004 0.000 1.076 359 L CA 2.078 56.930 54.840 0.020 0.000 0.758 359 L CB -0.607 41.450 42.059 -0.003 0.000 0.890 359 L HN 0.336 nan 8.230 nan 0.000 0.433 360 L N -1.616 119.609 121.223 0.003 0.000 1.955 360 L HA -0.285 4.051 4.340 -0.006 0.000 0.213 360 L C 2.433 179.276 176.870 -0.044 0.000 1.072 360 L CA 1.689 56.511 54.840 -0.029 0.000 0.755 360 L CB -0.863 41.186 42.059 -0.017 0.000 0.888 360 L HN 0.181 nan 8.230 nan 0.000 0.432 361 F N 1.065 120.941 119.950 -0.122 0.000 2.008 361 F HA -0.356 4.167 4.527 -0.006 0.000 0.297 361 F C 2.480 178.209 175.800 -0.119 0.000 1.156 361 F CA 1.782 59.706 58.000 -0.127 0.000 1.191 361 F CB -0.675 38.255 39.000 -0.117 0.000 0.955 361 F HN 0.010 nan 8.300 nan 0.000 0.497 362 A N 0.636 123.291 122.820 -0.276 0.000 1.986 362 A HA -0.150 4.166 4.320 -0.006 0.000 0.220 362 A C 2.401 179.774 177.584 -0.353 0.000 1.171 362 A CA 2.168 53.954 52.037 -0.417 0.000 0.640 362 A CB -1.765 17.223 19.000 -0.021 0.000 0.811 362 A HN 0.769 nan 8.150 nan 0.000 0.451 363 A N -0.615 122.048 122.820 -0.262 0.000 1.903 363 A HA -0.206 4.111 4.320 -0.006 0.000 0.219 363 A C 2.164 179.555 177.584 -0.322 0.000 1.191 363 A CA 2.129 54.011 52.037 -0.257 0.000 0.638 363 A CB -0.456 18.384 19.000 -0.268 0.000 0.823 363 A HN 0.558 nan 8.150 nan 0.000 0.451 364 M N -1.245 118.116 119.600 -0.398 0.000 2.441 364 M HA 0.208 4.684 4.480 -0.006 0.000 0.244 364 M C 1.723 177.793 176.300 -0.382 0.000 1.122 364 M CA 0.579 55.666 55.300 -0.356 0.000 1.041 364 M CB 0.344 32.748 32.600 -0.326 0.000 1.438 364 M HN 0.400 nan 8.290 nan 0.000 0.484 365 A N 0.040 122.490 122.820 -0.616 0.000 2.238 365 A HA 0.283 4.599 4.320 -0.006 0.000 0.208 365 A C 0.729 178.093 177.584 -0.367 0.000 1.177 365 A CA 0.590 52.184 52.037 -0.737 0.000 0.804 365 A CB 0.016 18.020 19.000 -1.661 0.000 0.823 365 A HN 0.390 nan 8.150 nan 0.000 0.482 366 S N -1.009 114.545 115.700 -0.243 0.000 2.752 366 S HA 0.261 4.727 4.470 -0.006 0.000 0.279 366 S C -0.268 174.275 174.600 -0.095 0.000 0.949 366 S CA -0.401 57.720 58.200 -0.132 0.000 0.916 366 S CB 0.191 63.319 63.200 -0.119 0.000 1.157 366 S HN 0.819 nan 8.310 nan 0.000 0.459 367 R N 2.069 122.538 120.500 -0.052 0.000 2.896 367 R HA 0.483 4.820 4.340 -0.006 0.000 0.258 367 R C 1.684 177.953 176.300 -0.052 0.000 1.240 367 R CA 0.295 56.373 56.100 -0.037 0.000 1.109 367 R CB -1.144 29.129 30.300 -0.045 0.000 1.081 367 R HN 1.069 nan 8.270 nan 0.000 0.562 368 V N -1.696 118.190 119.914 -0.048 0.000 2.284 368 V HA -0.052 4.065 4.120 -0.006 0.000 0.236 368 V C 1.347 177.421 176.094 -0.034 0.000 1.044 368 V CA 1.082 63.356 62.300 -0.043 0.000 1.019 368 V CB -1.186 30.613 31.823 -0.040 0.000 0.657 368 V HN 0.839 nan 8.190 nan 0.000 0.465 369 E N 0.471 120.648 120.200 -0.039 0.000 2.312 369 E HA 0.131 4.478 4.350 -0.006 0.000 0.259 369 E C -0.011 176.589 176.600 -0.000 0.000 1.122 369 E CA -0.057 56.332 56.400 -0.018 0.000 0.922 369 E CB 0.475 30.160 29.700 -0.025 0.000 1.109 369 E HN 0.507 nan 8.360 nan 0.000 0.442 370 N N -0.449 118.277 118.700 0.042 0.000 2.778 370 N HA -0.219 4.518 4.740 -0.006 0.000 0.249 370 N C -0.542 175.005 175.510 0.062 0.000 1.069 370 N CA 1.004 54.104 53.050 0.083 0.000 0.831 370 N CB -0.471 38.096 38.487 0.135 0.000 1.142 370 N HN 0.560 nan 8.380 nan 0.000 0.573 371 Q N 1.028 120.848 119.800 0.032 0.000 2.204 371 Q HA 0.283 4.620 4.340 -0.006 0.000 0.254 371 Q C -0.575 175.441 176.000 0.027 0.000 0.981 371 Q CA -0.423 55.396 55.803 0.027 0.000 0.897 371 Q CB 0.846 29.584 28.738 -0.000 0.000 1.273 371 Q HN 0.033 nan 8.270 nan 0.000 0.464 372 D N 0.650 121.068 120.400 0.030 0.000 2.515 372 D HA -0.116 4.520 4.640 -0.006 0.000 0.230 372 D C 0.403 176.706 176.300 0.005 0.000 1.181 372 D CA 0.812 54.828 54.000 0.026 0.000 0.875 372 D CB 0.801 41.602 40.800 0.001 0.000 1.213 372 D HN 0.764 nan 8.370 nan 0.000 0.478 373 A N 3.237 126.061 122.820 0.007 0.000 1.948 373 A HA -0.201 4.116 4.320 -0.006 0.000 0.220 373 A C 2.183 179.763 177.584 -0.006 0.000 1.177 373 A CA 1.019 53.056 52.037 -0.000 0.000 0.636 373 A CB -0.311 18.686 19.000 -0.004 0.000 0.815 373 A HN 0.614 nan 8.150 nan 0.000 0.449 374 I N 0.572 121.134 120.570 -0.013 0.000 2.179 374 I HA -0.194 3.972 4.170 -0.006 0.000 0.242 374 I C 1.134 177.254 176.117 0.004 0.000 1.088 374 I CA 1.623 62.918 61.300 -0.008 0.000 1.357 374 I CB -1.306 36.676 38.000 -0.030 0.000 1.051 374 I HN 0.326 nan 8.210 nan 0.000 0.409 375 D N 0.891 121.278 120.400 -0.021 0.000 2.378 375 D HA 0.024 4.661 4.640 -0.006 0.000 0.227 375 D C 1.832 178.121 176.300 -0.018 0.000 1.012 375 D CA 0.660 54.642 54.000 -0.029 0.000 0.905 375 D CB 0.231 40.994 40.800 -0.062 0.000 0.895 375 D HN 0.330 nan 8.370 nan 0.000 0.532 376 A N 0.431 123.248 122.820 -0.005 0.000 2.035 376 A HA 0.401 4.718 4.320 -0.006 0.000 0.208 376 A C 2.202 179.789 177.584 0.006 0.000 1.206 376 A CA 0.773 52.808 52.037 -0.003 0.000 0.773 376 A CB -0.037 18.962 19.000 -0.001 0.000 0.878 376 A HN 0.174 nan 8.150 nan 0.000 0.469 377 A N 0.354 123.182 122.820 0.013 0.000 1.845 377 A HA -0.112 4.204 4.320 -0.006 0.000 0.215 377 A C 2.185 179.793 177.584 0.040 0.000 1.195 377 A CA 2.019 54.069 52.037 0.021 0.000 0.616 377 A CB -0.588 18.425 19.000 0.021 0.000 0.832 377 A HN 0.395 nan 8.150 nan 0.000 0.443 378 M N -0.384 119.260 119.600 0.074 0.000 2.082 378 M HA -0.148 4.328 4.480 -0.006 0.000 0.258 378 M C 2.284 178.623 176.300 0.065 0.000 1.071 378 M CA 1.948 57.325 55.300 0.128 0.000 1.103 378 M CB -1.756 31.012 32.600 0.279 0.000 1.307 378 M HN 0.358 nan 8.290 nan 0.000 0.409 379 V N 0.333 120.259 119.914 0.020 0.000 2.720 379 V HA -0.105 4.012 4.120 -0.006 0.000 0.256 379 V C 1.893 177.988 176.094 0.002 0.000 1.082 379 V CA 2.065 64.362 62.300 -0.005 0.000 1.101 379 V CB -1.046 30.762 31.823 -0.026 0.000 0.693 379 V HN 0.469 nan 8.190 nan 0.000 0.479 380 G N -1.196 107.610 108.800 0.009 0.000 2.679 380 G HA2 0.124 4.081 3.960 -0.006 0.000 0.185 380 G HA3 0.124 4.081 3.960 -0.006 0.000 0.185 380 G C 0.718 175.625 174.900 0.011 0.000 1.656 380 G CA 0.641 45.745 45.100 0.007 0.000 0.892 380 G HN 0.516 nan 8.290 nan 0.000 0.389 381 M N -1.721 117.888 119.600 0.015 0.000 7.319 381 M HA -0.228 4.249 4.480 -0.006 0.000 0.107 381 M C 1.426 177.730 176.300 0.007 0.000 0.480 381 M CA 1.287 56.596 55.300 0.013 0.000 1.311 381 M CB -0.909 31.704 32.600 0.022 0.000 0.421 381 M HN 0.169 nan 8.290 nan 0.000 0.160 382 L N 0.455 121.680 121.223 0.004 0.000 2.610 382 L HA 0.209 4.546 4.340 -0.006 0.000 0.232 382 L C 0.970 177.840 176.870 0.000 0.000 1.149 382 L CA 0.216 55.056 54.840 -0.000 0.000 0.872 382 L CB -0.788 41.269 42.059 -0.004 0.000 0.992 382 L HN 0.700 nan 8.230 nan 0.000 0.447 383 A N 1.570 124.393 122.820 0.005 0.000 2.729 383 A HA 0.001 4.317 4.320 -0.006 0.000 0.291 383 A C 0.009 177.591 177.584 -0.004 0.000 1.574 383 A CA -0.412 51.626 52.037 0.002 0.000 1.194 383 A CB -0.946 18.057 19.000 0.006 0.000 1.047 383 A HN 0.313 nan 8.150 nan 0.000 0.578 384 D N 3.697 124.094 120.400 -0.006 0.000 2.515 384 D HA 0.036 4.672 4.640 -0.006 0.000 0.230 384 D C -1.470 174.824 176.300 -0.010 0.000 1.181 384 D CA -0.795 53.201 54.000 -0.008 0.000 0.875 384 D CB -0.440 40.355 40.800 -0.008 0.000 1.213 384 D HN 0.252 nan 8.370 nan 0.000 0.478 385 P HA -0.236 nan 4.420 nan 0.000 0.241 385 P C 0.400 177.691 177.300 -0.015 0.000 0.988 385 P CA 1.045 64.139 63.100 -0.011 0.000 1.078 385 P CB 0.114 31.808 31.700 -0.010 0.000 0.690 386 K N 0.233 120.624 120.400 -0.016 0.000 3.129 386 K HA 0.129 4.446 4.320 -0.006 0.000 0.241 386 K C 0.060 176.648 176.600 -0.020 0.000 1.239 386 K CA 0.363 56.638 56.287 -0.020 0.000 1.239 386 K CB -0.744 31.745 32.500 -0.019 0.000 1.347 386 K HN 0.409 nan 8.250 nan 0.000 0.435 387 E N 0.350 120.538 120.200 -0.020 0.000 2.542 387 E HA 0.228 4.574 4.350 -0.006 0.000 0.224 387 E C 0.064 176.650 176.600 -0.024 0.000 1.110 387 E CA -0.185 56.204 56.400 -0.018 0.000 1.350 387 E CB 0.811 30.503 29.700 -0.014 0.000 1.302 387 E HN 0.250 nan 8.360 nan 0.000 0.435 388 A N 0.882 123.682 122.820 -0.033 0.000 2.602 388 A HA 0.146 4.462 4.320 -0.006 0.000 0.238 388 A C 0.978 178.524 177.584 -0.063 0.000 0.863 388 A CA -0.480 51.529 52.037 -0.047 0.000 1.148 388 A CB 0.303 19.272 19.000 -0.053 0.000 1.227 388 A HN 0.035 nan 8.150 nan 0.000 0.460 389 R N 0.318 120.792 120.500 -0.043 0.000 2.240 389 R HA 0.360 4.696 4.340 -0.006 0.000 0.203 389 R C 0.944 177.230 176.300 -0.023 0.000 1.011 389 R CA 0.679 56.754 56.100 -0.041 0.000 1.007 389 R CB -0.907 29.380 30.300 -0.023 0.000 0.911 389 R HN 1.377 nan 8.270 nan 0.000 0.468 390 A N 1.337 124.154 122.820 -0.005 0.000 1.900 390 A HA -0.091 4.225 4.320 -0.006 0.000 0.251 390 A C 1.204 178.841 177.584 0.089 0.000 1.334 390 A CA 0.738 52.808 52.037 0.055 0.000 0.728 390 A CB -1.865 17.200 19.000 0.109 0.000 1.197 390 A HN 0.679 nan 8.150 nan 0.000 0.278 391 G N 1.375 110.206 108.800 0.051 0.000 2.606 391 G HA2 -0.192 3.765 3.960 -0.006 0.000 0.497 391 G HA3 -0.192 3.765 3.960 -0.006 0.000 0.497 391 G C 0.586 175.527 174.900 0.068 0.000 1.309 391 G CA 0.617 45.748 45.100 0.051 0.000 0.936 391 G HN 1.734 nan 8.290 nan 0.000 0.550 392 I N 1.639 122.255 120.570 0.077 0.000 2.696 392 I HA 0.557 4.724 4.170 -0.006 0.000 0.284 392 I C 0.844 177.031 176.117 0.116 0.000 1.129 392 I CA 0.741 62.088 61.300 0.078 0.000 1.410 392 I CB 0.689 38.730 38.000 0.069 0.000 1.399 392 I HN 1.067 nan 8.210 nan 0.000 0.579 393 R N 3.591 124.141 120.500 0.083 0.000 5.088 393 R HA 0.252 4.589 4.340 -0.006 0.000 0.249 393 R C -1.385 174.920 176.300 0.008 0.000 0.938 393 R CA -0.402 55.753 56.100 0.090 0.000 1.284 393 R CB 0.223 30.632 30.300 0.182 0.000 1.230 393 R HN 0.458 nan 8.270 nan 0.000 0.675 394 E N 1.823 122.016 120.200 -0.011 0.000 2.933 394 E HA 0.151 4.497 4.350 -0.006 0.000 0.175 394 E C -0.640 175.903 176.600 -0.095 0.000 0.932 394 E CA 0.296 56.651 56.400 -0.074 0.000 1.340 394 E CB 1.745 31.436 29.700 -0.015 0.000 1.025 394 E HN 0.448 nan 8.360 nan 0.000 0.461 395 V N 0.595 120.477 119.914 -0.053 0.000 2.277 395 V HA 0.399 4.516 4.120 -0.006 0.000 0.269 395 V C 0.161 176.211 176.094 -0.074 0.000 1.036 395 V CA -0.724 61.617 62.300 0.067 0.000 0.821 395 V CB 0.460 32.529 31.823 0.409 0.000 1.052 395 V HN 0.092 nan 8.190 nan 0.000 0.462 396 H N 4.846 123.694 119.070 -0.371 0.000 2.742 396 H HA 0.435 4.988 4.556 -0.006 0.000 0.302 396 H C -0.736 174.058 175.328 -0.890 0.000 1.069 396 H CA -0.204 55.599 56.048 -0.409 0.000 1.446 396 H CB 1.247 30.821 29.762 -0.313 0.000 1.462 396 H HN 0.762 nan 8.280 nan 0.000 0.499 397 F N 2.310 122.304 119.950 0.074 0.000 2.608 397 F HA 0.100 4.624 4.527 -0.006 0.000 0.383 397 F C 1.007 176.830 175.800 0.039 0.000 1.371 397 F CA -0.164 57.848 58.000 0.020 0.000 1.123 397 F CB 0.034 38.987 39.000 -0.077 0.000 1.207 397 F HN 0.277 nan 8.300 nan 0.000 0.512 398 L N -0.171 121.143 121.223 0.151 0.000 2.633 398 L HA 0.063 4.400 4.340 -0.006 0.000 0.235 398 L C -1.692 175.258 176.870 0.133 0.000 1.163 398 L CA -0.613 54.295 54.840 0.114 0.000 0.859 398 L CB -1.813 40.287 42.059 0.069 0.000 0.973 398 L HN -0.078 nan 8.230 nan 0.000 0.451 399 P HA -0.188 nan 4.420 nan 0.000 0.261 399 P C -0.584 176.856 177.300 0.234 0.000 1.140 399 P CA 1.084 64.274 63.100 0.149 0.000 0.757 399 P CB 0.045 31.826 31.700 0.135 0.000 0.735 400 F N 4.122 124.102 119.950 0.051 0.000 2.577 400 F HA 0.669 5.193 4.527 -0.006 0.000 0.318 400 F C -0.600 175.231 175.800 0.052 0.000 1.065 400 F CA -1.055 56.978 58.000 0.055 0.000 0.929 400 F CB 1.830 40.858 39.000 0.047 0.000 1.237 400 F HN 0.579 nan 8.300 nan 0.000 0.468 401 N N 2.370 120.514 118.700 -0.927 0.000 4.454 401 N HA 0.341 5.077 4.740 -0.006 0.000 0.201 401 N C -3.455 171.769 175.510 -0.476 0.000 1.131 401 N CA -1.317 51.223 53.050 -0.849 0.000 0.964 401 N CB 1.575 39.883 38.487 -0.298 0.000 1.579 401 N HN 0.172 nan 8.380 nan 0.000 0.573 402 P HA -0.015 nan 4.420 nan 0.000 0.272 402 P C 0.910 178.223 177.300 0.021 0.000 1.248 402 P CA 0.748 63.824 63.100 -0.041 0.000 0.799 402 P CB 0.468 32.154 31.700 -0.023 0.000 0.997 403 V N -3.623 116.343 119.914 0.088 0.000 1.878 403 V HA -0.315 3.801 4.120 -0.006 0.000 0.079 403 V C 0.552 176.704 176.094 0.097 0.000 0.474 403 V CA 2.585 64.939 62.300 0.090 0.000 1.423 403 V CB -2.197 29.662 31.823 0.060 0.000 1.673 403 V HN 0.560 nan 8.190 nan 0.000 0.860 404 D N -0.256 120.215 120.400 0.118 0.000 2.602 404 D HA 0.186 4.823 4.640 -0.006 0.000 0.284 404 D C 1.186 177.617 176.300 0.218 0.000 1.065 404 D CA 0.550 54.640 54.000 0.149 0.000 0.923 404 D CB 0.609 41.487 40.800 0.129 0.000 1.373 404 D HN 0.670 nan 8.370 nan 0.000 0.492 405 K N 0.767 121.343 120.400 0.292 0.000 3.160 405 K HA -0.229 4.088 4.320 -0.006 0.000 0.280 405 K C -0.464 176.314 176.600 0.296 0.000 1.154 405 K CA 0.846 57.347 56.287 0.356 0.000 0.822 405 K CB -0.736 31.909 32.500 0.241 0.000 1.239 405 K HN 0.391 nan 8.250 nan 0.000 0.489 406 R N -2.523 118.177 120.500 0.334 0.000 2.712 406 R HA 0.413 4.750 4.340 -0.006 0.000 0.272 406 R C -1.160 175.260 176.300 0.199 0.000 1.032 406 R CA -0.922 55.301 56.100 0.204 0.000 0.874 406 R CB 0.861 31.281 30.300 0.200 0.000 1.256 406 R HN -0.080 nan 8.270 nan 0.000 0.468 407 T N 0.212 114.821 114.554 0.092 0.000 2.874 407 T HA 0.667 5.014 4.350 -0.006 0.000 0.281 407 T C 0.186 174.945 174.700 0.098 0.000 0.994 407 T CA -0.156 61.984 62.100 0.067 0.000 1.015 407 T CB 1.532 70.364 68.868 -0.059 0.000 1.028 407 T HN 0.716 nan 8.240 nan 0.000 0.523 408 A N 2.089 124.980 122.820 0.119 0.000 3.448 408 A HA 0.404 4.720 4.320 -0.006 0.000 0.232 408 A C 0.096 177.792 177.584 0.187 0.000 1.018 408 A CA -0.550 51.592 52.037 0.175 0.000 0.996 408 A CB 0.058 19.199 19.000 0.235 0.000 1.283 408 A HN 0.718 nan 8.150 nan 0.000 0.586 409 L N 0.336 121.629 121.223 0.117 0.000 2.428 409 L HA 0.364 4.700 4.340 -0.006 0.000 0.266 409 L C -0.401 176.610 176.870 0.235 0.000 1.269 409 L CA 1.478 56.395 54.840 0.128 0.000 0.821 409 L CB 0.798 42.831 42.059 -0.044 0.000 1.095 409 L HN 0.454 nan 8.230 nan 0.000 0.559 410 T N 2.862 117.593 114.554 0.295 0.000 3.483 410 T HA 0.416 4.762 4.350 -0.006 0.000 0.329 410 T C -1.234 173.732 174.700 0.443 0.000 1.014 410 T CA -0.372 61.967 62.100 0.399 0.000 1.056 410 T CB 0.722 69.712 68.868 0.203 0.000 1.090 410 T HN 0.596 nan 8.240 nan 0.000 0.460 411 Y N 2.181 122.595 120.300 0.190 0.000 2.609 411 Y HA 0.899 5.445 4.550 -0.006 0.000 0.342 411 Y C -0.877 175.200 175.900 0.295 0.000 1.058 411 Y CA -1.689 56.514 58.100 0.173 0.000 1.055 411 Y CB 1.478 40.010 38.460 0.120 0.000 1.292 411 Y HN 0.712 nan 8.280 nan 0.000 0.476 412 I N -1.037 119.646 120.570 0.188 0.000 3.457 412 I HA 0.765 4.932 4.170 -0.006 0.000 0.307 412 I C -1.155 175.155 176.117 0.322 0.000 1.138 412 I CA -0.519 60.900 61.300 0.198 0.000 0.974 412 I CB 2.776 40.796 38.000 0.033 0.000 1.324 412 I HN 0.863 nan 8.210 nan 0.000 0.485 413 D N -0.368 120.292 120.400 0.432 0.000 2.107 413 D HA 0.260 4.896 4.640 -0.006 0.000 0.636 413 D C -0.104 176.351 176.300 0.258 0.000 0.811 413 D CA 0.765 54.943 54.000 0.296 0.000 1.172 413 D CB 0.452 41.367 40.800 0.192 0.000 1.419 413 D HN 1.084 nan 8.370 nan 0.000 0.409 414 G N -0.746 108.211 108.800 0.262 0.000 2.650 414 G HA2 0.428 4.385 3.960 -0.006 0.000 0.310 414 G HA3 0.428 4.385 3.960 -0.006 0.000 0.310 414 G C 0.462 175.304 174.900 -0.096 0.000 1.270 414 G CA 0.368 45.537 45.100 0.115 0.000 0.810 414 G HN -0.018 nan 8.290 nan 0.000 0.493 415 S N -0.190 115.461 115.700 -0.082 0.000 2.521 415 S HA -0.039 4.428 4.470 -0.006 0.000 0.246 415 S C 1.744 176.169 174.600 -0.291 0.000 1.059 415 S CA 1.537 59.654 58.200 -0.139 0.000 1.302 415 S CB -1.125 62.027 63.200 -0.081 0.000 1.216 415 S HN 1.300 nan 8.310 nan 0.000 0.421 416 G N 1.387 109.967 108.800 -0.366 0.000 2.559 416 G HA2 0.195 4.152 3.960 -0.006 0.000 0.235 416 G HA3 0.195 4.152 3.960 -0.006 0.000 0.235 416 G C -0.378 173.930 174.900 -0.986 0.000 1.266 416 G CA -0.279 44.506 45.100 -0.525 0.000 0.847 416 G HN 0.503 nan 8.290 nan 0.000 0.583 417 N N 0.435 118.686 118.700 -0.749 0.000 2.421 417 N HA 0.236 4.973 4.740 -0.006 0.000 0.285 417 N C -0.627 174.498 175.510 -0.642 0.000 1.027 417 N CA -0.494 52.120 53.050 -0.727 0.000 0.918 417 N CB 1.190 39.501 38.487 -0.294 0.000 1.152 417 N HN 0.459 nan 8.380 nan 0.000 0.485 418 W N 1.668 122.880 121.300 -0.147 0.000 2.478 418 W HA 0.220 4.877 4.660 -0.006 0.000 0.318 418 W C 0.051 176.623 176.519 0.088 0.000 1.062 418 W CA -0.517 56.746 57.345 -0.137 0.000 1.210 418 W CB 0.759 30.024 29.460 -0.324 0.000 1.325 418 W HN 0.685 nan 8.180 nan 0.000 0.496 419 H N 0.066 119.313 119.070 0.294 0.000 2.699 419 H HA 0.423 4.976 4.556 -0.006 0.000 0.256 419 H C -0.820 174.588 175.328 0.133 0.000 1.376 419 H CA -0.891 55.326 56.048 0.282 0.000 1.549 419 H CB 0.269 30.124 29.762 0.155 0.000 1.686 419 H HN 0.391 nan 8.280 nan 0.000 0.550 420 R N 2.355 122.952 120.500 0.162 0.000 2.500 420 R HA 0.717 5.053 4.340 -0.006 0.000 0.275 420 R C -0.993 175.256 176.300 -0.085 0.000 1.051 420 R CA -0.163 55.877 56.100 -0.100 0.000 1.088 420 R CB 1.067 31.316 30.300 -0.086 0.000 1.063 420 R HN 0.465 nan 8.270 nan 0.000 0.511 421 V N -0.952 118.857 119.914 -0.175 0.000 3.265 421 V HA 0.629 4.746 4.120 -0.006 0.000 0.275 421 V C -1.633 174.428 176.094 -0.055 0.000 1.684 421 V CA -0.622 61.621 62.300 -0.095 0.000 1.032 421 V CB 1.577 33.395 31.823 -0.008 0.000 1.250 421 V HN 1.087 nan 8.190 nan 0.000 0.468 422 S N 0.317 116.062 115.700 0.075 0.000 2.669 422 S HA 0.781 5.247 4.470 -0.006 0.000 0.304 422 S C -1.677 173.091 174.600 0.279 0.000 1.021 422 S CA -1.120 57.172 58.200 0.153 0.000 0.854 422 S CB 1.770 65.022 63.200 0.086 0.000 1.048 422 S HN 1.207 nan 8.310 nan 0.000 0.452 423 K N 0.815 121.321 120.400 0.177 0.000 2.570 423 K HA 0.723 5.040 4.320 -0.006 0.000 0.256 423 K C -0.220 176.450 176.600 0.117 0.000 0.939 423 K CA -0.064 56.306 56.287 0.137 0.000 0.833 423 K CB 1.469 34.013 32.500 0.073 0.000 1.318 423 K HN 2.052 nan 8.250 nan 0.000 0.433 424 G N 0.785 109.639 108.800 0.090 0.000 3.055 424 G HA2 0.098 4.055 3.960 -0.006 0.000 0.686 424 G HA3 0.098 4.055 3.960 -0.006 0.000 0.686 424 G C 0.527 175.499 174.900 0.121 0.000 1.087 424 G CA -0.093 45.070 45.100 0.106 0.000 0.779 424 G HN 0.735 nan 8.290 nan 0.000 0.599 425 A N 4.299 127.182 122.820 0.105 0.000 1.848 425 A HA 0.242 4.558 4.320 -0.006 0.000 0.211 425 A C 0.695 178.357 177.584 0.130 0.000 1.225 425 A CA 2.673 54.779 52.037 0.115 0.000 0.637 425 A CB -1.293 17.752 19.000 0.075 0.000 0.867 425 A HN 0.644 nan 8.150 nan 0.000 0.463 426 P HA -0.120 nan 4.420 nan 0.000 0.214 426 P C 0.602 177.969 177.300 0.111 0.000 1.163 426 P CA 1.504 64.657 63.100 0.088 0.000 0.883 426 P CB -0.240 31.512 31.700 0.087 0.000 0.788 427 E N -1.198 119.082 120.200 0.132 0.000 2.453 427 E HA -0.146 4.201 4.350 -0.006 0.000 0.207 427 E C 1.451 178.163 176.600 0.187 0.000 1.212 427 E CA 0.597 57.087 56.400 0.150 0.000 0.959 427 E CB -0.633 29.162 29.700 0.158 0.000 0.957 427 E HN 0.154 nan 8.360 nan 0.000 0.540 428 Q N -1.040 118.881 119.800 0.202 0.000 2.126 428 Q HA 0.201 4.538 4.340 -0.006 0.000 0.233 428 Q C 1.069 177.255 176.000 0.310 0.000 0.788 428 Q CA 0.206 56.174 55.803 0.275 0.000 0.968 428 Q CB 0.595 29.500 28.738 0.277 0.000 1.163 428 Q HN 0.239 nan 8.270 nan 0.000 0.471 429 I N -0.363 120.304 120.570 0.161 0.000 2.729 429 I HA -0.025 4.141 4.170 -0.006 0.000 0.256 429 I C 2.003 178.150 176.117 0.050 0.000 1.115 429 I CA 0.409 61.706 61.300 -0.005 0.000 1.446 429 I CB -0.593 37.297 38.000 -0.183 0.000 1.176 429 I HN 0.154 nan 8.210 nan 0.000 0.446 430 L N 1.367 122.628 121.223 0.063 0.000 2.046 430 L HA -0.089 4.248 4.340 -0.006 0.000 0.208 430 L C 1.022 177.940 176.870 0.079 0.000 1.077 430 L CA 1.415 56.289 54.840 0.056 0.000 0.747 430 L CB -0.053 42.040 42.059 0.056 0.000 0.896 430 L HN 0.187 nan 8.230 nan 0.000 0.432 431 E N 0.958 121.243 120.200 0.142 0.000 1.944 431 E HA 0.036 4.382 4.350 -0.006 0.000 0.272 431 E C 0.800 177.502 176.600 0.170 0.000 1.195 431 E CA -0.071 56.420 56.400 0.152 0.000 0.926 431 E CB 0.352 30.201 29.700 0.248 0.000 1.051 431 E HN 0.342 nan 8.360 nan 0.000 0.404 432 L N 1.656 122.846 121.223 -0.055 0.000 4.925 432 L HA -0.409 3.927 4.340 -0.006 0.000 0.450 432 L C 1.658 178.625 176.870 0.161 0.000 1.081 432 L CA 1.116 55.833 54.840 -0.206 0.000 0.926 432 L CB -0.875 40.577 42.059 -1.012 0.000 1.764 432 L HN 0.599 nan 8.230 nan 0.000 0.911 433 A N -0.432 122.605 122.820 0.361 0.000 2.239 433 A HA -0.018 4.298 4.320 -0.006 0.000 0.209 433 A C 0.928 178.622 177.584 0.183 0.000 1.171 433 A CA 0.758 53.019 52.037 0.374 0.000 0.768 433 A CB -0.017 19.200 19.000 0.360 0.000 0.790 433 A HN 0.413 nan 8.150 nan 0.000 0.478 434 K N -1.497 118.966 120.400 0.106 0.000 5.910 434 K HA -0.163 4.154 4.320 -0.006 0.000 0.496 434 K C 0.050 176.656 176.600 0.010 0.000 1.222 434 K CA 0.790 57.104 56.287 0.046 0.000 1.422 434 K CB -2.154 30.381 32.500 0.058 0.000 1.780 434 K HN 0.942 nan 8.250 nan 0.000 0.384 435 A N 2.383 125.198 122.820 -0.008 0.000 2.729 435 A HA 0.112 4.428 4.320 -0.006 0.000 0.291 435 A C 1.130 178.687 177.584 -0.046 0.000 1.574 435 A CA 0.996 53.006 52.037 -0.045 0.000 1.194 435 A CB 0.019 19.002 19.000 -0.028 0.000 1.047 435 A HN 0.623 nan 8.150 nan 0.000 0.578 436 S N 1.355 117.018 115.700 -0.063 0.000 2.298 436 S HA 0.341 4.808 4.470 -0.006 0.000 0.245 436 S C 1.250 175.820 174.600 -0.050 0.000 1.230 436 S CA 0.036 58.212 58.200 -0.042 0.000 1.009 436 S CB 0.278 63.462 63.200 -0.026 0.000 1.019 436 S HN 0.788 nan 8.310 nan 0.000 0.459 437 N N -0.017 118.660 118.700 -0.038 0.000 2.765 437 N HA 0.050 4.786 4.740 -0.006 0.000 0.256 437 N C 1.097 176.590 175.510 -0.028 0.000 0.985 437 N CA 0.770 53.800 53.050 -0.034 0.000 0.980 437 N CB -1.032 37.443 38.487 -0.020 0.000 1.701 437 N HN 0.673 nan 8.380 nan 0.000 0.683 438 D N 2.118 122.509 120.400 -0.015 0.000 2.355 438 D HA -0.222 4.415 4.640 -0.006 0.000 0.192 438 D C 1.515 177.811 176.300 -0.006 0.000 1.014 438 D CA 1.747 55.744 54.000 -0.006 0.000 0.862 438 D CB -0.739 40.064 40.800 0.004 0.000 0.986 438 D HN 0.324 nan 8.370 nan 0.000 0.456 439 L N -0.473 120.748 121.223 -0.004 0.000 2.556 439 L HA 0.141 4.478 4.340 -0.006 0.000 0.226 439 L C 2.569 179.414 176.870 -0.043 0.000 1.089 439 L CA 0.298 55.141 54.840 0.005 0.000 0.864 439 L CB 0.139 42.229 42.059 0.051 0.000 1.067 439 L HN -0.018 nan 8.230 nan 0.000 0.477 440 S N -0.225 115.420 115.700 -0.092 0.000 2.406 440 S HA -0.077 4.389 4.470 -0.006 0.000 0.228 440 S C 1.914 176.432 174.600 -0.137 0.000 1.020 440 S CA 0.832 58.916 58.200 -0.192 0.000 0.965 440 S CB -0.010 63.073 63.200 -0.194 0.000 0.798 440 S HN 0.207 nan 8.310 nan 0.000 0.488 441 K N 1.207 121.561 120.400 -0.078 0.000 2.400 441 K HA 0.147 4.464 4.320 -0.006 0.000 0.194 441 K C 1.710 178.285 176.600 -0.042 0.000 1.033 441 K CA 0.443 56.698 56.287 -0.053 0.000 1.021 441 K CB 0.062 32.541 32.500 -0.035 0.000 0.808 441 K HN 0.130 nan 8.250 nan 0.000 0.505 442 K N 1.169 121.546 120.400 -0.038 0.000 2.352 442 K HA 0.017 4.334 4.320 -0.006 0.000 0.194 442 K C 1.573 178.156 176.600 -0.027 0.000 1.038 442 K CA 0.374 56.646 56.287 -0.025 0.000 1.023 442 K CB 0.497 32.991 32.500 -0.011 0.000 0.840 442 K HN -0.034 nan 8.250 nan 0.000 0.519 443 V N 0.115 120.009 119.914 -0.032 0.000 2.913 443 V HA -0.144 3.973 4.120 -0.006 0.000 0.260 443 V C 2.156 178.221 176.094 -0.048 0.000 1.098 443 V CA 0.996 63.290 62.300 -0.011 0.000 1.121 443 V CB -0.781 31.071 31.823 0.049 0.000 0.714 443 V HN 0.157 nan 8.190 nan 0.000 0.487 444 L N 0.388 121.581 121.223 -0.050 0.000 2.217 444 L HA -0.060 4.276 4.340 -0.006 0.000 0.211 444 L C 2.690 179.525 176.870 -0.057 0.000 1.107 444 L CA 1.468 56.279 54.840 -0.048 0.000 0.783 444 L CB -0.056 41.984 42.059 -0.031 0.000 0.919 444 L HN 0.478 nan 8.230 nan 0.000 0.442 445 S N -0.291 115.378 115.700 -0.052 0.000 2.377 445 S HA -0.156 4.310 4.470 -0.006 0.000 0.223 445 S C 1.912 176.467 174.600 -0.075 0.000 1.030 445 S CA 0.948 59.121 58.200 -0.044 0.000 0.970 445 S CB -0.183 63.002 63.200 -0.025 0.000 0.830 445 S HN 0.371 nan 8.310 nan 0.000 0.473 446 I N 1.896 122.396 120.570 -0.117 0.000 2.493 446 I HA 0.018 4.184 4.170 -0.006 0.000 0.254 446 I C 1.734 177.548 176.117 -0.505 0.000 1.160 446 I CA 0.808 61.982 61.300 -0.211 0.000 1.445 446 I CB -0.271 37.623 38.000 -0.177 0.000 1.086 446 I HN 0.350 nan 8.210 nan 0.000 0.433 447 I N 0.276 120.616 120.570 -0.383 0.000 2.700 447 I HA -0.253 3.913 4.170 -0.006 0.000 0.261 447 I C 1.231 177.251 176.117 -0.162 0.000 1.219 447 I CA 1.481 62.562 61.300 -0.364 0.000 1.463 447 I CB -0.852 37.059 38.000 -0.150 0.000 1.092 447 I HN 0.341 nan 8.210 nan 0.000 0.452 448 D N -0.147 120.199 120.400 -0.089 0.000 2.407 448 D HA -0.041 4.596 4.640 -0.006 0.000 0.208 448 D C 1.887 178.230 176.300 0.072 0.000 1.083 448 D CA 0.138 54.146 54.000 0.013 0.000 0.844 448 D CB 0.661 41.462 40.800 0.003 0.000 0.967 448 D HN 0.194 nan 8.370 nan 0.000 0.506 449 K N 0.091 120.566 120.400 0.125 0.000 2.243 449 K HA -0.080 4.236 4.320 -0.006 0.000 0.201 449 K C 1.585 178.327 176.600 0.236 0.000 1.051 449 K CA 0.736 57.120 56.287 0.161 0.000 0.970 449 K CB -0.058 32.545 32.500 0.171 0.000 0.755 449 K HN -0.088 nan 8.250 nan 0.000 0.465 450 Y N 0.520 120.811 120.300 -0.016 0.000 2.145 450 Y HA -0.074 4.472 4.550 -0.006 0.000 0.286 450 Y C 2.332 178.222 175.900 -0.017 0.000 1.145 450 Y CA 0.980 59.067 58.100 -0.021 0.000 1.148 450 Y CB -1.012 37.443 38.460 -0.009 0.000 0.981 450 Y HN 0.179 nan 8.280 nan 0.000 0.507 451 A N -0.170 122.756 122.820 0.177 0.000 2.019 451 A HA -0.139 4.178 4.320 -0.006 0.000 0.219 451 A C 2.167 179.783 177.584 0.054 0.000 1.164 451 A CA 1.457 53.550 52.037 0.094 0.000 0.644 451 A CB -0.330 18.712 19.000 0.070 0.000 0.805 451 A HN 0.326 nan 8.150 nan 0.000 0.449 452 E N 0.388 120.617 120.200 0.047 0.000 2.006 452 E HA -0.136 4.211 4.350 -0.006 0.000 0.192 452 E C 2.001 178.595 176.600 -0.010 0.000 0.993 452 E CA 1.001 57.411 56.400 0.017 0.000 0.808 452 E CB -0.429 29.280 29.700 0.015 0.000 0.764 452 E HN 0.576 nan 8.360 nan 0.000 0.449 453 R N 0.329 120.807 120.500 -0.038 0.000 2.328 453 R HA 0.021 4.357 4.340 -0.006 0.000 0.207 453 R C 0.874 177.118 176.300 -0.095 0.000 1.056 453 R CA 0.749 56.790 56.100 -0.098 0.000 1.016 453 R CB -0.653 29.549 30.300 -0.163 0.000 0.872 453 R HN 0.242 nan 8.270 nan 0.000 0.471 454 G N 2.176 110.962 108.800 -0.023 0.000 2.374 454 G HA2 -0.245 3.712 3.960 -0.006 0.000 0.289 454 G HA3 -0.245 3.712 3.960 -0.006 0.000 0.289 454 G C -0.113 174.815 174.900 0.047 0.000 1.004 454 G CA 0.042 45.160 45.100 0.030 0.000 1.292 454 G HN 0.184 nan 8.290 nan 0.000 0.502 455 L N -0.783 120.458 121.223 0.030 0.000 2.335 455 L HA 0.644 4.981 4.340 -0.006 0.000 0.268 455 L C 1.127 178.073 176.870 0.126 0.000 1.016 455 L CA -1.303 53.563 54.840 0.043 0.000 0.805 455 L CB 1.331 43.296 42.059 -0.157 0.000 1.311 455 L HN 0.277 nan 8.230 nan 0.000 0.456 456 R N 0.305 120.884 120.500 0.131 0.000 2.235 456 R HA 0.174 4.511 4.340 -0.006 0.000 0.338 456 R C -0.612 175.767 176.300 0.131 0.000 1.087 456 R CA -0.211 55.959 56.100 0.118 0.000 0.948 456 R CB 0.458 30.812 30.300 0.090 0.000 1.099 456 R HN 0.572 nan 8.270 nan 0.000 0.483 457 S N 5.202 120.998 115.700 0.161 0.000 2.457 457 S HA 0.078 4.545 4.470 -0.006 0.000 0.294 457 S C -0.369 174.277 174.600 0.076 0.000 1.201 457 S CA -0.561 57.738 58.200 0.165 0.000 1.112 457 S CB 0.432 63.694 63.200 0.104 0.000 1.018 457 S HN 0.423 nan 8.310 nan 0.000 0.511 458 L N 3.600 124.847 121.223 0.040 0.000 2.342 458 L HA 0.777 5.113 4.340 -0.006 0.000 0.276 458 L C -0.071 176.740 176.870 -0.100 0.000 0.997 458 L CA -0.700 54.121 54.840 -0.032 0.000 0.838 458 L CB 0.724 42.735 42.059 -0.080 0.000 1.224 458 L HN 0.638 nan 8.230 nan 0.000 0.416 459 A N 4.098 126.888 122.820 -0.050 0.000 2.304 459 A HA 0.730 5.046 4.320 -0.006 0.000 0.271 459 A C -0.643 176.829 177.584 -0.187 0.000 1.091 459 A CA -0.005 51.978 52.037 -0.091 0.000 0.812 459 A CB 1.248 20.312 19.000 0.107 0.000 1.056 459 A HN 1.447 nan 8.150 nan 0.000 0.489 460 V N 0.657 120.362 119.914 -0.348 0.000 2.610 460 V HA 0.671 4.787 4.120 -0.006 0.000 0.298 460 V C 0.049 175.892 176.094 -0.418 0.000 1.067 460 V CA 0.176 62.304 62.300 -0.287 0.000 0.894 460 V CB 0.883 32.518 31.823 -0.314 0.000 1.015 460 V HN 1.720 nan 8.190 nan 0.000 0.432 461 A N 6.336 129.006 122.820 -0.249 0.000 2.621 461 A HA 0.929 5.246 4.320 -0.006 0.000 0.267 461 A C 0.236 177.611 177.584 -0.349 0.000 1.506 461 A CA -0.416 51.471 52.037 -0.250 0.000 0.873 461 A CB 0.594 19.531 19.000 -0.105 0.000 1.577 461 A HN 1.009 nan 8.150 nan 0.000 0.536 462 R N -0.861 119.392 120.500 -0.412 0.000 2.602 462 R HA 0.377 4.713 4.340 -0.006 0.000 0.237 462 R C -0.416 175.546 176.300 -0.563 0.000 1.219 462 R CA -0.263 55.567 56.100 -0.450 0.000 1.121 462 R CB 0.438 30.514 30.300 -0.374 0.000 1.408 462 R HN 0.752 nan 8.270 nan 0.000 0.559 463 Q N 1.304 120.897 119.800 -0.344 0.000 2.296 463 Q HA 0.191 4.528 4.340 -0.006 0.000 0.257 463 Q C 1.239 177.117 176.000 -0.204 0.000 0.942 463 Q CA -0.236 55.424 55.803 -0.238 0.000 0.939 463 Q CB 1.561 30.326 28.738 0.045 0.000 1.198 463 Q HN 0.600 nan 8.270 nan 0.000 0.429 464 V N 1.643 121.398 119.914 -0.265 0.000 2.236 464 V HA -0.314 3.803 4.120 -0.006 0.000 0.255 464 V C 1.223 177.387 176.094 0.116 0.000 1.068 464 V CA 1.635 64.067 62.300 0.219 0.000 1.044 464 V CB -1.853 29.879 31.823 -0.151 0.000 0.653 464 V HN 1.131 nan 8.190 nan 0.000 0.448 465 V N -3.632 116.277 119.914 -0.009 0.000 5.898 465 V HA -0.170 3.946 4.120 -0.006 0.000 0.185 465 V C -0.879 175.200 176.094 -0.025 0.000 0.709 465 V CA 0.472 62.746 62.300 -0.044 0.000 0.601 465 V CB -2.349 29.508 31.823 0.057 0.000 0.554 465 V HN 0.625 nan 8.190 nan 0.000 0.405 466 P HA 0.288 nan 4.420 nan 0.000 0.204 466 P C 1.073 178.337 177.300 -0.060 0.000 1.180 466 P CA 1.518 64.598 63.100 -0.034 0.000 0.897 466 P CB 0.503 32.188 31.700 -0.025 0.000 0.737 467 E N -2.794 117.357 120.200 -0.082 0.000 3.575 467 E HA 0.203 4.550 4.350 -0.006 0.000 0.263 467 E C 0.201 176.727 176.600 -0.122 0.000 1.230 467 E CA -0.044 56.302 56.400 -0.090 0.000 1.875 467 E CB 0.583 30.248 29.700 -0.057 0.000 1.961 467 E HN -0.113 nan 8.360 nan 0.000 0.904 468 K N 0.777 121.118 120.400 -0.097 0.000 2.318 468 K HA 0.425 4.741 4.320 -0.006 0.000 0.265 468 K C -0.598 175.958 176.600 -0.072 0.000 1.055 468 K CA -0.380 55.846 56.287 -0.101 0.000 0.896 468 K CB 1.188 33.645 32.500 -0.072 0.000 1.479 468 K HN 0.051 nan 8.250 nan 0.000 0.449 469 T N 1.437 115.956 114.554 -0.058 0.000 2.748 469 T HA 0.141 4.487 4.350 -0.006 0.000 0.304 469 T C 0.504 175.190 174.700 -0.023 0.000 1.041 469 T CA -0.051 62.031 62.100 -0.030 0.000 1.033 469 T CB 0.431 69.300 68.868 0.001 0.000 0.995 469 T HN 0.531 nan 8.240 nan 0.000 0.536 470 K N -0.637 119.743 120.400 -0.034 0.000 11.046 470 K HA -0.228 4.088 4.320 -0.006 0.000 0.528 470 K C 0.370 176.941 176.600 -0.048 0.000 0.384 470 K CA 2.113 58.389 56.287 -0.018 0.000 1.939 470 K CB -1.309 31.219 32.500 0.047 0.000 0.775 470 K HN 0.753 nan 8.250 nan 0.000 1.232 471 E N 2.131 122.320 120.200 -0.018 0.000 2.465 471 E HA 0.108 4.455 4.350 -0.006 0.000 0.260 471 E C 0.266 176.857 176.600 -0.016 0.000 0.980 471 E CA 0.577 56.970 56.400 -0.012 0.000 0.927 471 E CB 0.666 30.362 29.700 -0.006 0.000 0.934 471 E HN 0.419 nan 8.360 nan 0.000 0.459 472 S N 3.914 119.608 115.700 -0.010 0.000 2.553 472 S HA -0.006 4.461 4.470 -0.006 0.000 0.271 472 S C -1.846 172.755 174.600 0.002 0.000 1.362 472 S CA -0.747 57.454 58.200 0.002 0.000 1.010 472 S CB 0.601 63.795 63.200 -0.011 0.000 0.865 472 S HN 0.345 nan 8.310 nan 0.000 0.543 473 P HA 0.433 nan 4.420 nan 0.000 0.183 473 P C 1.200 178.450 177.300 -0.083 0.000 1.069 473 P CA 1.107 64.195 63.100 -0.021 0.000 0.856 473 P CB -0.580 31.128 31.700 0.013 0.000 0.726 474 G N -0.317 108.374 108.800 -0.182 0.000 2.179 474 G HA2 -0.177 3.779 3.960 -0.006 0.000 0.260 474 G HA3 -0.177 3.779 3.960 -0.006 0.000 0.260 474 G C 0.653 175.430 174.900 -0.204 0.000 0.977 474 G CA 0.350 45.294 45.100 -0.259 0.000 0.641 474 G HN 0.715 nan 8.290 nan 0.000 0.533 475 A N 0.874 123.630 122.820 -0.106 0.000 2.339 475 A HA 0.578 4.895 4.320 -0.006 0.000 0.272 475 A C -1.035 176.581 177.584 0.052 0.000 1.182 475 A CA 0.213 52.245 52.037 -0.009 0.000 0.819 475 A CB -0.405 18.618 19.000 0.037 0.000 1.115 475 A HN 0.298 nan 8.150 nan 0.000 0.512 476 P HA 0.095 nan 4.420 nan 0.000 0.266 476 P C -1.193 176.353 177.300 0.410 0.000 1.193 476 P CA 0.533 63.744 63.100 0.185 0.000 0.770 476 P CB 0.240 32.031 31.700 0.153 0.000 0.836 477 W N 1.867 123.181 121.300 0.022 0.000 2.830 477 W HA 0.247 4.903 4.660 -0.006 0.000 0.335 477 W C 0.577 177.123 176.519 0.045 0.000 1.043 477 W CA -0.272 57.084 57.345 0.019 0.000 1.239 477 W CB 1.315 30.791 29.460 0.027 0.000 1.378 477 W HN 0.379 nan 8.180 nan 0.000 0.456 478 E N 3.024 123.280 120.200 0.094 0.000 2.452 478 E HA 0.032 4.379 4.350 -0.006 0.000 0.197 478 E C 0.033 176.693 176.600 0.099 0.000 1.022 478 E CA -0.463 55.969 56.400 0.054 0.000 0.890 478 E CB 0.498 30.099 29.700 -0.164 0.000 0.918 478 E HN 0.350 nan 8.360 nan 0.000 0.496 479 F N 1.086 120.960 119.950 -0.127 0.000 2.020 479 F HA -0.327 4.196 4.527 -0.006 0.000 0.371 479 F C 0.811 176.532 175.800 -0.131 0.000 1.134 479 F CA 0.554 58.504 58.000 -0.084 0.000 1.213 479 F CB 0.016 39.032 39.000 0.026 0.000 1.912 479 F HN -0.105 nan 8.300 nan 0.000 0.732 480 V N 4.643 124.232 119.914 -0.541 0.000 2.743 480 V HA 0.876 4.993 4.120 -0.006 0.000 0.237 480 V C 1.032 176.944 176.094 -0.304 0.000 1.113 480 V CA 1.881 63.985 62.300 -0.327 0.000 1.141 480 V CB 0.491 32.125 31.823 -0.315 0.000 0.873 480 V HN 1.753 nan 8.190 nan 0.000 0.486 481 G N 0.218 108.664 108.800 -0.591 0.000 2.427 481 G HA2 0.514 4.470 3.960 -0.006 0.000 0.306 481 G HA3 0.514 4.470 3.960 -0.006 0.000 0.306 481 G C -1.841 172.823 174.900 -0.393 0.000 1.280 481 G CA -0.342 44.535 45.100 -0.371 0.000 0.837 481 G HN 1.141 nan 8.290 nan 0.000 0.482 482 L N -1.929 119.192 121.223 -0.169 0.000 2.422 482 L HA 0.869 5.206 4.340 -0.006 0.000 0.264 482 L C -0.860 176.008 176.870 -0.004 0.000 0.984 482 L CA -1.159 53.615 54.840 -0.110 0.000 0.819 482 L CB 2.087 44.122 42.059 -0.039 0.000 1.330 482 L HN 0.453 nan 8.230 nan 0.000 0.410 483 L N 2.029 123.232 121.223 -0.032 0.000 2.322 483 L HA 0.599 4.935 4.340 -0.006 0.000 0.279 483 L C -2.298 174.645 176.870 0.123 0.000 1.036 483 L CA -1.639 53.197 54.840 -0.007 0.000 0.807 483 L CB 1.983 43.951 42.059 -0.152 0.000 1.226 483 L HN 0.412 nan 8.230 nan 0.000 0.433 484 P HA 0.347 nan 4.420 nan 0.000 0.273 484 P C -0.902 176.357 177.300 -0.067 0.000 1.531 484 P CA -0.212 62.786 63.100 -0.170 0.000 1.027 484 P CB 0.535 31.922 31.700 -0.520 0.000 1.387 485 L N 3.711 124.947 121.223 0.021 0.000 2.307 485 L HA 0.525 4.862 4.340 -0.006 0.000 0.282 485 L C 0.057 177.033 176.870 0.177 0.000 1.051 485 L CA -0.731 54.147 54.840 0.063 0.000 0.804 485 L CB 0.668 42.753 42.059 0.043 0.000 1.197 485 L HN 0.214 nan 8.230 nan 0.000 0.431 486 F N 2.181 122.104 119.950 -0.045 0.000 2.495 486 F HA 0.429 4.952 4.527 -0.006 0.000 0.327 486 F C -0.510 175.275 175.800 -0.024 0.000 1.103 486 F CA -1.133 56.844 58.000 -0.039 0.000 0.949 486 F CB 1.502 40.473 39.000 -0.047 0.000 1.142 486 F HN 0.335 nan 8.300 nan 0.000 0.457 487 D N 7.282 127.235 120.400 -0.745 0.000 2.389 487 D HA 0.376 5.012 4.640 -0.006 0.000 0.256 487 D C -2.771 173.003 176.300 -0.877 0.000 1.239 487 D CA -1.859 51.767 54.000 -0.623 0.000 0.925 487 D CB 1.819 42.470 40.800 -0.249 0.000 1.145 487 D HN 0.134 nan 8.370 nan 0.000 0.542 488 P HA 0.335 nan 4.420 nan 0.000 0.274 488 P C -2.702 174.459 177.300 -0.232 0.000 1.256 488 P CA -1.394 61.391 63.100 -0.524 0.000 0.795 488 P CB -0.074 31.435 31.700 -0.319 0.000 1.038 489 P HA 0.270 nan 4.420 nan 0.000 0.286 489 P C -0.333 176.942 177.300 -0.041 0.000 1.269 489 P CA -0.405 62.657 63.100 -0.063 0.000 0.787 489 P CB 0.620 32.306 31.700 -0.023 0.000 0.920 490 R N 3.149 123.623 120.500 -0.043 0.000 2.590 490 R HA -0.007 4.330 4.340 -0.006 0.000 0.274 490 R C 2.111 178.405 176.300 -0.010 0.000 1.061 490 R CA -0.039 56.056 56.100 -0.009 0.000 1.081 490 R CB 0.268 30.550 30.300 -0.029 0.000 0.984 490 R HN 0.678 nan 8.270 nan 0.000 0.448 491 H N 4.325 123.379 119.070 -0.027 0.000 2.252 491 H HA -0.219 4.333 4.556 -0.006 0.000 0.292 491 H C 0.767 176.085 175.328 -0.016 0.000 1.082 491 H CA 2.233 58.270 56.048 -0.019 0.000 1.229 491 H CB -0.510 29.243 29.762 -0.015 0.000 1.353 491 H HN 0.791 nan 8.280 nan 0.000 0.488 492 D N 1.509 121.220 120.400 -1.148 0.000 2.106 492 D HA -0.241 4.396 4.640 -0.006 0.000 0.191 492 D C 2.393 178.527 176.300 -0.276 0.000 0.997 492 D CA 2.476 56.088 54.000 -0.646 0.000 0.834 492 D CB -1.178 39.230 40.800 -0.653 0.000 0.956 492 D HN 0.573 nan 8.370 nan 0.000 0.448 493 S N 0.743 116.300 115.700 -0.238 0.000 2.444 493 S HA -0.239 4.227 4.470 -0.006 0.000 0.244 493 S C 2.035 176.583 174.600 -0.087 0.000 1.025 493 S CA 1.650 59.773 58.200 -0.129 0.000 0.995 493 S CB -0.704 62.434 63.200 -0.102 0.000 0.781 493 S HN 0.513 nan 8.310 nan 0.000 0.496 494 A N 2.088 124.860 122.820 -0.080 0.000 1.841 494 A HA -0.062 4.254 4.320 -0.006 0.000 0.214 494 A C 2.329 179.888 177.584 -0.042 0.000 1.195 494 A CA 1.393 53.404 52.037 -0.043 0.000 0.611 494 A CB -0.717 18.271 19.000 -0.019 0.000 0.835 494 A HN 0.600 nan 8.150 nan 0.000 0.443 495 E N -0.589 119.582 120.200 -0.048 0.000 2.038 495 E HA -0.164 4.182 4.350 -0.006 0.000 0.195 495 E C 2.164 178.737 176.600 -0.044 0.000 1.000 495 E CA 1.680 58.058 56.400 -0.038 0.000 0.803 495 E CB -1.017 28.661 29.700 -0.036 0.000 0.750 495 E HN 0.535 nan 8.360 nan 0.000 0.448 496 T N 1.933 116.449 114.554 -0.064 0.000 2.594 496 T HA -0.239 4.108 4.350 -0.006 0.000 0.266 496 T C 1.970 176.644 174.700 -0.043 0.000 1.070 496 T CA 1.951 64.016 62.100 -0.057 0.000 1.166 496 T CB -0.454 68.370 68.868 -0.073 0.000 0.862 496 T HN 0.145 nan 8.240 nan 0.000 0.436 497 I N 1.091 121.635 120.570 -0.044 0.000 2.286 497 I HA -0.108 4.059 4.170 -0.006 0.000 0.248 497 I C 2.413 178.513 176.117 -0.028 0.000 1.115 497 I CA 1.629 62.907 61.300 -0.036 0.000 1.392 497 I CB -0.466 37.512 38.000 -0.037 0.000 1.065 497 I HN 0.139 nan 8.210 nan 0.000 0.418 498 R N 0.615 121.099 120.500 -0.026 0.000 2.097 498 R HA -0.262 4.075 4.340 -0.006 0.000 0.236 498 R C 2.655 178.945 176.300 -0.017 0.000 1.135 498 R CA 2.165 58.254 56.100 -0.019 0.000 0.934 498 R CB -0.548 29.742 30.300 -0.017 0.000 0.846 498 R HN 0.400 nan 8.270 nan 0.000 0.431 499 R N 0.050 120.538 120.500 -0.020 0.000 2.091 499 R HA -0.137 4.199 4.340 -0.006 0.000 0.238 499 R C 2.225 178.515 176.300 -0.017 0.000 1.136 499 R CA 1.630 57.719 56.100 -0.018 0.000 0.959 499 R CB -0.432 29.856 30.300 -0.020 0.000 0.856 499 R HN 0.383 nan 8.270 nan 0.000 0.437 500 A N 0.950 123.758 122.820 -0.020 0.000 1.903 500 A HA -0.206 4.111 4.320 -0.006 0.000 0.219 500 A C 2.030 179.605 177.584 -0.015 0.000 1.191 500 A CA 1.538 53.564 52.037 -0.019 0.000 0.638 500 A CB -0.610 18.376 19.000 -0.022 0.000 0.823 500 A HN 0.321 nan 8.150 nan 0.000 0.451 501 L N -0.228 120.987 121.223 -0.014 0.000 2.201 501 L HA -0.076 4.260 4.340 -0.006 0.000 0.212 501 L C 1.748 178.613 176.870 -0.009 0.000 1.105 501 L CA 1.465 56.299 54.840 -0.009 0.000 0.775 501 L CB -0.704 41.351 42.059 -0.008 0.000 0.913 501 L HN 0.314 nan 8.230 nan 0.000 0.440 502 N N -1.056 117.638 118.700 -0.010 0.000 2.461 502 N HA 0.052 4.789 4.740 -0.006 0.000 0.188 502 N C 1.028 176.532 175.510 -0.011 0.000 1.134 502 N CA 0.504 53.548 53.050 -0.010 0.000 0.878 502 N CB 0.147 38.628 38.487 -0.009 0.000 0.972 502 N HN 0.254 nan 8.380 nan 0.000 0.456 503 L N -1.269 119.947 121.223 -0.012 0.000 2.872 503 L HA 0.274 4.610 4.340 -0.006 0.000 0.245 503 L C 1.180 178.042 176.870 -0.014 0.000 1.211 503 L CA -0.003 54.829 54.840 -0.012 0.000 1.013 503 L CB -0.116 41.936 42.059 -0.012 0.000 1.326 503 L HN 0.161 nan 8.230 nan 0.000 0.525 504 G N 0.507 109.299 108.800 -0.013 0.000 2.302 504 G HA2 -0.327 3.629 3.960 -0.006 0.000 0.263 504 G HA3 -0.327 3.629 3.960 -0.006 0.000 0.263 504 G C 0.451 175.344 174.900 -0.012 0.000 0.995 504 G CA 0.572 45.663 45.100 -0.014 0.000 0.622 504 G HN 0.239 nan 8.290 nan 0.000 0.538 505 V N 2.537 122.443 119.914 -0.013 0.000 2.408 505 V HA 0.421 4.537 4.120 -0.006 0.000 0.267 505 V C 0.504 176.594 176.094 -0.005 0.000 1.047 505 V CA -0.727 61.567 62.300 -0.010 0.000 0.937 505 V CB 0.229 32.041 31.823 -0.017 0.000 0.999 505 V HN 0.411 nan 8.190 nan 0.000 0.472 506 N N 4.985 123.689 118.700 0.006 0.000 2.530 506 N HA 0.400 5.137 4.740 -0.006 0.000 0.273 506 N C -0.839 174.664 175.510 -0.011 0.000 1.173 506 N CA -0.583 52.468 53.050 0.003 0.000 0.967 506 N CB 1.802 40.300 38.487 0.019 0.000 1.109 506 N HN 0.475 nan 8.380 nan 0.000 0.453 507 V N 1.848 121.746 119.914 -0.027 0.000 2.667 507 V HA 0.397 4.514 4.120 -0.006 0.000 0.308 507 V C -0.096 175.956 176.094 -0.071 0.000 1.048 507 V CA -0.630 61.644 62.300 -0.044 0.000 0.928 507 V CB 1.687 33.483 31.823 -0.044 0.000 1.004 507 V HN 0.639 nan 8.190 nan 0.000 0.444 508 K N 3.129 123.465 120.400 -0.107 0.000 2.427 508 K HA 0.586 4.902 4.320 -0.006 0.000 0.252 508 K C -0.800 175.663 176.600 -0.228 0.000 0.931 508 K CA -0.704 55.467 56.287 -0.194 0.000 0.793 508 K CB 2.648 34.991 32.500 -0.261 0.000 1.211 508 K HN 0.626 nan 8.250 nan 0.000 0.426 509 M N 3.118 122.561 119.600 -0.262 0.000 2.242 509 M HA 0.323 4.800 4.480 -0.006 0.000 0.344 509 M C -0.883 175.259 176.300 -0.263 0.000 1.140 509 M CA 0.259 55.436 55.300 -0.205 0.000 1.160 509 M CB 0.432 32.947 32.600 -0.142 0.000 1.491 509 M HN 0.569 nan 8.290 nan 0.000 0.459 510 I N 3.298 123.793 120.570 -0.125 0.000 2.588 510 I HA 0.212 4.378 4.170 -0.006 0.000 0.278 510 I C -1.031 175.080 176.117 -0.010 0.000 1.144 510 I CA -0.173 61.102 61.300 -0.042 0.000 1.074 510 I CB 1.850 39.846 38.000 -0.005 0.000 1.235 510 I HN 0.611 nan 8.210 nan 0.000 0.472 511 T N 3.129 117.683 114.554 -0.000 0.000 2.993 511 T HA 0.453 4.799 4.350 -0.006 0.000 0.312 511 T C 0.188 174.844 174.700 -0.075 0.000 1.115 511 T CA -0.360 61.720 62.100 -0.034 0.000 1.027 511 T CB 1.554 70.403 68.868 -0.031 0.000 1.116 511 T HN 0.622 nan 8.240 nan 0.000 0.464 512 G N 2.792 111.500 108.800 -0.153 0.000 3.316 512 G HA2 0.415 4.371 3.960 -0.006 0.000 0.255 512 G HA3 0.415 4.371 3.960 -0.006 0.000 0.255 512 G C -0.608 174.160 174.900 -0.220 0.000 0.880 512 G CA -0.171 44.740 45.100 -0.315 0.000 1.956 512 G HN 0.590 nan 8.290 nan 0.000 0.634 513 D N 0.068 120.394 120.400 -0.124 0.000 2.863 513 D HA 0.269 4.906 4.640 -0.006 0.000 0.245 513 D C 0.036 176.319 176.300 -0.029 0.000 1.211 513 D CA -0.393 53.572 54.000 -0.058 0.000 0.888 513 D CB 1.405 42.193 40.800 -0.020 0.000 1.483 513 D HN 0.297 nan 8.370 nan 0.000 0.533 514 Q N 1.353 121.146 119.800 -0.012 0.000 2.873 514 Q HA -0.141 4.195 4.340 -0.006 0.000 0.385 514 Q C 1.342 177.352 176.000 0.017 0.000 1.117 514 Q CA 0.111 55.918 55.803 0.006 0.000 1.167 514 Q CB 0.505 29.255 28.738 0.019 0.000 1.105 514 Q HN 0.536 nan 8.270 nan 0.000 0.444 515 L N 2.408 123.644 121.223 0.023 0.000 2.197 515 L HA -0.247 4.090 4.340 -0.006 0.000 0.215 515 L C 1.896 178.785 176.870 0.031 0.000 1.095 515 L CA 2.487 57.349 54.840 0.036 0.000 0.764 515 L CB -0.935 41.151 42.059 0.045 0.000 0.897 515 L HN 0.783 nan 8.230 nan 0.000 0.436 516 A N 0.107 122.944 122.820 0.028 0.000 1.972 516 A HA -0.135 4.181 4.320 -0.006 0.000 0.219 516 A C 2.098 179.701 177.584 0.031 0.000 1.169 516 A CA 2.156 54.210 52.037 0.028 0.000 0.635 516 A CB -0.907 18.111 19.000 0.029 0.000 0.810 516 A HN 0.727 nan 8.150 nan 0.000 0.446 517 I N -1.917 118.675 120.570 0.036 0.000 2.339 517 I HA 0.199 4.365 4.170 -0.006 0.000 0.245 517 I C 2.339 178.478 176.117 0.037 0.000 1.096 517 I CA 0.996 62.322 61.300 0.044 0.000 1.408 517 I CB -1.553 36.479 38.000 0.054 0.000 1.092 517 I HN 0.047 nan 8.210 nan 0.000 0.423 518 G N 1.012 109.828 108.800 0.027 0.000 2.469 518 G HA2 -0.343 3.614 3.960 -0.006 0.000 0.219 518 G HA3 -0.343 3.614 3.960 -0.006 0.000 0.219 518 G C 1.686 176.594 174.900 0.014 0.000 1.150 518 G CA 1.055 46.164 45.100 0.016 0.000 0.763 518 G HN 0.472 nan 8.290 nan 0.000 0.561 519 K N 0.315 120.725 120.400 0.016 0.000 2.616 519 K HA -0.042 4.275 4.320 -0.006 0.000 0.192 519 K C 1.946 178.551 176.600 0.009 0.000 1.031 519 K CA 1.019 57.311 56.287 0.008 0.000 1.004 519 K CB 0.085 32.589 32.500 0.007 0.000 0.810 519 K HN 0.393 nan 8.250 nan 0.000 0.497 520 E N -1.045 119.168 120.200 0.021 0.000 2.279 520 E HA 0.005 4.352 4.350 -0.006 0.000 0.199 520 E C 1.016 177.642 176.600 0.043 0.000 0.893 520 E CA 0.896 57.314 56.400 0.029 0.000 0.978 520 E CB 0.022 29.744 29.700 0.037 0.000 0.964 520 E HN -0.053 nan 8.360 nan 0.000 0.486 521 T N -0.126 114.459 114.554 0.052 0.000 3.439 521 T HA 0.233 4.579 4.350 -0.006 0.000 0.251 521 T C 0.703 175.412 174.700 0.014 0.000 1.108 521 T CA 0.764 62.893 62.100 0.048 0.000 0.982 521 T CB -0.406 68.490 68.868 0.047 0.000 1.024 521 T HN 0.328 nan 8.240 nan 0.000 0.573 522 G N 1.517 110.323 108.800 0.010 0.000 2.797 522 G HA2 0.038 3.995 3.960 -0.006 0.000 0.211 522 G HA3 0.038 3.995 3.960 -0.006 0.000 0.211 522 G C 1.307 176.203 174.900 -0.006 0.000 1.236 522 G CA -0.431 44.665 45.100 -0.006 0.000 0.833 522 G HN 0.532 nan 8.290 nan 0.000 0.624 523 R N 0.435 120.932 120.500 -0.004 0.000 2.377 523 R HA 0.194 4.530 4.340 -0.006 0.000 0.207 523 R C 1.983 178.284 176.300 0.002 0.000 1.075 523 R CA 0.614 56.710 56.100 -0.007 0.000 1.035 523 R CB -0.152 30.140 30.300 -0.013 0.000 0.857 523 R HN 0.240 nan 8.270 nan 0.000 0.475 524 R N 0.381 120.887 120.500 0.011 0.000 2.312 524 R HA 0.133 4.470 4.340 -0.006 0.000 0.205 524 R C -0.089 176.216 176.300 0.009 0.000 0.904 524 R CA 0.147 56.260 56.100 0.020 0.000 1.052 524 R CB 0.461 30.789 30.300 0.046 0.000 1.014 524 R HN 0.137 nan 8.270 nan 0.000 0.503 525 L N -0.352 120.870 121.223 -0.002 0.000 3.291 525 L HA 0.379 4.715 4.340 -0.006 0.000 0.307 525 L C 0.855 177.716 176.870 -0.015 0.000 1.303 525 L CA 0.393 55.226 54.840 -0.012 0.000 0.949 525 L CB 1.013 43.060 42.059 -0.021 0.000 1.375 525 L HN 0.271 nan 8.230 nan 0.000 0.596 526 G N 0.415 109.209 108.800 -0.011 0.000 2.494 526 G HA2 -0.430 3.527 3.960 -0.006 0.000 0.252 526 G HA3 -0.430 3.527 3.960 -0.006 0.000 0.252 526 G C 0.957 175.848 174.900 -0.013 0.000 1.025 526 G CA 0.704 45.797 45.100 -0.011 0.000 0.638 526 G HN 0.370 nan 8.290 nan 0.000 0.544 527 M N 2.288 121.878 119.600 -0.018 0.000 3.510 527 M HA 0.179 4.655 4.480 -0.006 0.000 0.205 527 M C 1.434 177.724 176.300 -0.016 0.000 1.846 527 M CA 0.832 56.120 55.300 -0.021 0.000 1.795 527 M CB -0.307 32.275 32.600 -0.030 0.000 1.454 527 M HN 0.316 nan 8.290 nan 0.000 0.505 528 G N 0.776 109.570 108.800 -0.009 0.000 3.636 528 G HA2 0.252 4.209 3.960 -0.006 0.000 0.260 528 G HA3 0.252 4.209 3.960 -0.006 0.000 0.260 528 G C 0.623 175.529 174.900 0.009 0.000 1.014 528 G CA -0.360 44.736 45.100 -0.006 0.000 1.797 528 G HN 0.605 nan 8.290 nan 0.000 0.637 529 T N 0.052 114.612 114.554 0.011 0.000 3.010 529 T HA -0.019 4.327 4.350 -0.006 0.000 0.253 529 T C 1.382 176.107 174.700 0.042 0.000 0.939 529 T CA -0.138 61.984 62.100 0.038 0.000 0.910 529 T CB 0.065 68.954 68.868 0.034 0.000 1.226 529 T HN 0.539 nan 8.240 nan 0.000 0.508 530 N N 2.248 120.956 118.700 0.014 0.000 3.115 530 N HA 0.166 4.902 4.740 -0.006 0.000 0.305 530 N C 0.936 176.428 175.510 -0.030 0.000 1.305 530 N CA 0.052 53.110 53.050 0.012 0.000 1.154 530 N CB -0.449 38.040 38.487 0.004 0.000 1.454 530 N HN 0.375 nan 8.380 nan 0.000 0.551 531 M N -0.825 118.738 119.600 -0.062 0.000 2.544 531 M HA 0.126 4.602 4.480 -0.006 0.000 0.251 531 M C -0.125 175.969 176.300 -0.344 0.000 1.189 531 M CA 0.650 55.786 55.300 -0.273 0.000 1.218 531 M CB -0.227 32.094 32.600 -0.465 0.000 1.259 531 M HN 0.109 nan 8.290 nan 0.000 0.495 532 Y N 0.211 120.521 120.300 0.018 0.000 2.335 532 Y HA 0.231 4.777 4.550 -0.006 0.000 0.323 532 Y C -1.488 174.425 175.900 0.022 0.000 1.224 532 Y CA -2.216 55.894 58.100 0.017 0.000 1.241 532 Y CB -0.717 37.752 38.460 0.015 0.000 1.235 532 Y HN 0.010 nan 8.280 nan 0.000 0.492 533 P HA -0.244 nan 4.420 nan 0.000 0.217 533 P C 1.321 178.682 177.300 0.101 0.000 1.162 533 P CA 2.384 65.546 63.100 0.102 0.000 0.901 533 P CB 0.156 31.907 31.700 0.085 0.000 0.793 534 S N -1.014 114.751 115.700 0.108 0.000 2.368 534 S HA -0.110 4.357 4.470 -0.006 0.000 0.225 534 S C 1.790 176.444 174.600 0.090 0.000 1.030 534 S CA 1.133 59.381 58.200 0.080 0.000 0.999 534 S CB -0.864 62.368 63.200 0.053 0.000 0.844 534 S HN 0.174 nan 8.310 nan 0.000 0.459 535 S N 1.064 116.841 115.700 0.128 0.000 2.191 535 S HA 0.249 4.716 4.470 -0.006 0.000 0.225 535 S C 0.741 175.402 174.600 0.102 0.000 1.389 535 S CA 0.789 59.064 58.200 0.124 0.000 2.444 535 S CB -0.332 62.976 63.200 0.181 0.000 0.434 535 S HN 0.635 nan 8.310 nan 0.000 0.350 536 A N -1.006 121.870 122.820 0.093 0.000 2.309 536 A HA 0.733 5.050 4.320 -0.006 0.000 0.317 536 A C -0.261 177.374 177.584 0.084 0.000 1.134 536 A CA -0.728 51.361 52.037 0.086 0.000 0.866 536 A CB 0.315 19.347 19.000 0.054 0.000 1.329 536 A HN 0.771 nan 8.150 nan 0.000 0.477 537 L N -0.706 120.579 121.223 0.104 0.000 3.608 537 L HA -0.153 4.184 4.340 -0.006 0.000 0.422 537 L C -0.579 176.380 176.870 0.148 0.000 1.260 537 L CA -0.258 54.649 54.840 0.113 0.000 0.889 537 L CB -1.942 40.146 42.059 0.049 0.000 1.821 537 L HN 0.601 nan 8.230 nan 0.000 0.884 538 L N -0.108 121.231 121.223 0.194 0.000 2.416 538 L HA 0.461 4.798 4.340 -0.006 0.000 0.272 538 L C 1.537 178.497 176.870 0.149 0.000 1.161 538 L CA 0.336 55.259 54.840 0.139 0.000 0.845 538 L CB 0.051 42.175 42.059 0.108 0.000 1.119 538 L HN 0.197 nan 8.230 nan 0.000 0.464 539 G N 1.295 110.153 108.800 0.097 0.000 2.647 539 G HA2 0.053 4.009 3.960 -0.006 0.000 0.234 539 G HA3 0.053 4.009 3.960 -0.006 0.000 0.234 539 G C 0.838 175.788 174.900 0.083 0.000 1.252 539 G CA -0.219 44.930 45.100 0.081 0.000 0.846 539 G HN 0.776 nan 8.290 nan 0.000 0.589 540 T N 0.532 115.157 114.554 0.119 0.000 2.803 540 T HA -0.129 4.217 4.350 -0.006 0.000 0.269 540 T C 2.064 176.864 174.700 0.168 0.000 1.052 540 T CA 1.714 63.895 62.100 0.136 0.000 1.136 540 T CB -0.271 68.850 68.868 0.422 0.000 0.864 540 T HN 0.566 nan 8.240 nan 0.000 0.467 541 H N 1.305 120.380 119.070 0.009 0.000 2.521 541 H HA 0.113 4.665 4.556 -0.006 0.000 0.286 541 H C 1.704 177.002 175.328 -0.050 0.000 1.034 541 H CA 0.575 56.604 56.048 -0.030 0.000 1.278 541 H CB -0.012 29.757 29.762 0.011 0.000 1.386 541 H HN 0.201 nan 8.280 nan 0.000 0.567 542 K N 1.329 121.776 120.400 0.079 0.000 2.706 542 K HA 0.004 4.320 4.320 -0.006 0.000 0.217 542 K C -0.442 176.139 176.600 -0.031 0.000 1.019 542 K CA 0.369 56.669 56.287 0.022 0.000 1.181 542 K CB 0.205 32.721 32.500 0.026 0.000 0.940 542 K HN 0.404 nan 8.250 nan 0.000 0.491 543 D N -0.257 120.105 120.400 -0.063 0.000 3.078 543 D HA 0.195 4.832 4.640 -0.006 0.000 0.363 543 D C 0.318 176.535 176.300 -0.138 0.000 1.391 543 D CA 0.036 53.970 54.000 -0.111 0.000 0.754 543 D CB 1.165 41.866 40.800 -0.165 0.000 1.238 543 D HN 0.104 nan 8.370 nan 0.000 0.500 544 A N 0.809 123.555 122.820 -0.124 0.000 2.452 544 A HA 0.034 4.351 4.320 -0.006 0.000 0.147 544 A C 0.955 178.468 177.584 -0.119 0.000 1.842 544 A CA 0.434 52.380 52.037 -0.151 0.000 1.336 544 A CB 0.148 19.007 19.000 -0.236 0.000 1.524 544 A HN 0.227 nan 8.150 nan 0.000 0.369 545 N N -1.843 116.804 118.700 -0.088 0.000 2.070 545 N HA 0.154 4.890 4.740 -0.006 0.000 0.284 545 N C 0.930 176.420 175.510 -0.033 0.000 1.046 545 N CA 0.592 53.604 53.050 -0.062 0.000 0.730 545 N CB -0.117 38.327 38.487 -0.073 0.000 1.826 545 N HN 0.253 nan 8.380 nan 0.000 0.704 546 L N 0.858 122.072 121.223 -0.016 0.000 2.046 546 L HA 0.590 4.926 4.340 -0.006 0.000 0.203 546 L C 0.516 177.385 176.870 -0.003 0.000 1.111 546 L CA 0.781 55.621 54.840 -0.000 0.000 0.769 546 L CB -0.486 41.585 42.059 0.021 0.000 0.914 546 L HN 0.247 nan 8.230 nan 0.000 0.448 547 A N -0.307 122.512 122.820 -0.000 0.000 2.388 547 A HA 0.399 4.716 4.320 -0.006 0.000 0.257 547 A C 0.586 178.165 177.584 -0.009 0.000 1.095 547 A CA 0.195 52.232 52.037 0.000 0.000 0.791 547 A CB 0.316 19.320 19.000 0.008 0.000 1.029 547 A HN 0.580 nan 8.150 nan 0.000 0.489 548 S N 2.964 118.660 115.700 -0.007 0.000 2.207 548 S HA 0.599 5.065 4.470 -0.006 0.000 0.226 548 S C 0.699 175.293 174.600 -0.010 0.000 1.286 548 S CA 0.233 58.427 58.200 -0.011 0.000 1.004 548 S CB -0.267 62.928 63.200 -0.008 0.000 0.907 548 S HN 1.415 nan 8.310 nan 0.000 0.443 549 I N -0.294 120.271 120.570 -0.010 0.000 9.243 549 I HA -0.116 4.050 4.170 -0.006 0.000 0.126 549 I C -2.635 173.474 176.117 -0.013 0.000 1.860 549 I CA -0.117 61.177 61.300 -0.009 0.000 2.054 549 I CB -1.446 36.552 38.000 -0.004 0.000 3.964 549 I HN 0.625 nan 8.210 nan 0.000 0.174 550 P HA 0.131 nan 4.420 nan 0.000 0.262 550 P C 0.956 178.243 177.300 -0.021 0.000 1.199 550 P CA -0.100 62.989 63.100 -0.017 0.000 0.763 550 P CB 0.347 32.038 31.700 -0.014 0.000 0.790 551 V N 2.112 122.008 119.914 -0.031 0.000 2.591 551 V HA -0.147 3.969 4.120 -0.006 0.000 0.249 551 V C 1.560 177.628 176.094 -0.043 0.000 1.053 551 V CA 1.400 63.676 62.300 -0.040 0.000 1.068 551 V CB -1.300 30.489 31.823 -0.056 0.000 0.689 551 V HN 0.321 nan 8.190 nan 0.000 0.462 552 E N 0.890 121.064 120.200 -0.043 0.000 2.338 552 E HA -0.136 4.211 4.350 -0.006 0.000 0.197 552 E C 1.942 178.516 176.600 -0.043 0.000 1.007 552 E CA 1.118 57.490 56.400 -0.047 0.000 0.849 552 E CB -0.201 29.470 29.700 -0.048 0.000 0.774 552 E HN 0.871 nan 8.360 nan 0.000 0.506 553 E N 0.670 120.853 120.200 -0.029 0.000 2.005 553 E HA -0.159 4.187 4.350 -0.006 0.000 0.191 553 E C 1.659 178.257 176.600 -0.004 0.000 0.987 553 E CA 0.825 57.214 56.400 -0.019 0.000 0.814 553 E CB -0.383 29.312 29.700 -0.008 0.000 0.772 553 E HN 0.117 nan 8.360 nan 0.000 0.453 554 L N 0.843 122.072 121.223 0.010 0.000 2.064 554 L HA -0.274 4.063 4.340 -0.006 0.000 0.216 554 L C 2.407 179.319 176.870 0.070 0.000 1.077 554 L CA 1.443 56.306 54.840 0.039 0.000 0.766 554 L CB -0.750 41.333 42.059 0.039 0.000 0.890 554 L HN 0.387 nan 8.230 nan 0.000 0.435 555 I N -0.615 119.993 120.570 0.063 0.000 2.093 555 I HA -0.389 3.777 4.170 -0.006 0.000 0.239 555 I C 2.541 178.716 176.117 0.096 0.000 1.026 555 I CA 1.928 63.308 61.300 0.134 0.000 1.295 555 I CB -1.269 36.771 38.000 0.067 0.000 1.007 555 I HN 0.485 nan 8.210 nan 0.000 0.401 556 E N 1.273 121.470 120.200 -0.006 0.000 2.001 556 E HA -0.168 4.178 4.350 -0.006 0.000 0.193 556 E C 1.489 178.101 176.600 0.019 0.000 0.994 556 E CA 0.791 57.171 56.400 -0.033 0.000 0.815 556 E CB -0.063 29.547 29.700 -0.150 0.000 0.770 556 E HN 0.385 nan 8.360 nan 0.000 0.453 557 K N 0.580 120.993 120.400 0.021 0.000 3.187 557 K HA -0.033 4.283 4.320 -0.006 0.000 0.274 557 K C 0.092 176.721 176.600 0.048 0.000 0.790 557 K CA -0.021 56.288 56.287 0.036 0.000 1.041 557 K CB -0.006 32.512 32.500 0.030 0.000 0.976 557 K HN 0.109 nan 8.250 nan 0.000 0.438 558 A N -0.133 122.719 122.820 0.053 0.000 3.972 558 A HA 0.465 4.782 4.320 -0.006 0.000 0.166 558 A C -0.949 176.655 177.584 0.034 0.000 0.722 558 A CA -0.485 51.589 52.037 0.063 0.000 1.045 558 A CB 1.042 20.104 19.000 0.102 0.000 1.949 558 A HN 0.164 nan 8.150 nan 0.000 0.853 559 D N -2.813 117.599 120.400 0.020 0.000 2.921 559 D HA 0.491 5.127 4.640 -0.006 0.000 0.329 559 D C 0.388 176.561 176.300 -0.213 0.000 1.293 559 D CA 0.342 54.303 54.000 -0.065 0.000 0.964 559 D CB 0.921 41.692 40.800 -0.048 0.000 1.435 559 D HN 0.734 nan 8.370 nan 0.000 0.548 560 G N -0.927 107.652 108.800 -0.367 0.000 2.466 560 G HA2 0.458 4.415 3.960 -0.006 0.000 0.279 560 G HA3 0.458 4.415 3.960 -0.006 0.000 0.279 560 G C -0.546 173.906 174.900 -0.747 0.000 1.410 560 G CA 0.362 44.967 45.100 -0.825 0.000 1.065 560 G HN 0.361 nan 8.290 nan 0.000 0.547 561 F N -3.231 116.734 119.950 0.025 0.000 2.877 561 F HA 0.752 5.275 4.527 -0.006 0.000 0.319 561 F C -0.024 175.789 175.800 0.023 0.000 1.174 561 F CA -1.392 56.627 58.000 0.032 0.000 0.903 561 F CB 0.849 39.881 39.000 0.054 0.000 1.357 561 F HN 0.736 nan 8.300 nan 0.000 0.472 562 A N -0.308 122.681 122.820 0.283 0.000 2.346 562 A HA 0.885 5.202 4.320 -0.006 0.000 0.313 562 A C 0.764 178.417 177.584 0.116 0.000 1.140 562 A CA -0.216 51.900 52.037 0.131 0.000 0.826 562 A CB 0.672 19.713 19.000 0.070 0.000 1.332 562 A HN 2.449 nan 8.150 nan 0.000 0.457 563 G N -1.011 107.778 108.800 -0.019 0.000 5.353 563 G HA2 -0.146 3.810 3.960 -0.006 0.000 0.283 563 G HA3 -0.146 3.810 3.960 -0.006 0.000 0.283 563 G C 0.768 175.469 174.900 -0.332 0.000 1.457 563 G CA 1.018 46.062 45.100 -0.093 0.000 0.951 563 G HN 2.257 nan 8.290 nan 0.000 0.731 564 V N 0.595 120.540 119.914 0.052 0.000 5.043 564 V HA -0.238 3.878 4.120 -0.006 0.000 0.267 564 V C 0.963 176.757 176.094 -0.501 0.000 0.597 564 V CA 1.622 63.901 62.300 -0.035 0.000 0.703 564 V CB -2.578 29.292 31.823 0.078 0.000 0.558 564 V HN 1.099 nan 8.190 nan 0.000 1.038 565 F N 0.401 119.610 119.950 -1.234 0.000 2.563 565 F HA 0.259 4.783 4.527 -0.006 0.000 0.363 565 F C 0.120 175.625 175.800 -0.493 0.000 1.123 565 F CA -1.386 56.148 58.000 -0.776 0.000 1.307 565 F CB -0.473 38.198 39.000 -0.549 0.000 1.115 565 F HN 0.068 nan 8.300 nan 0.000 0.592 566 P HA -0.312 nan 4.420 nan 0.000 0.218 566 P C 1.420 178.845 177.300 0.208 0.000 1.132 566 P CA 2.457 65.616 63.100 0.098 0.000 0.968 566 P CB 0.007 31.767 31.700 0.100 0.000 0.783 567 E N -1.432 118.934 120.200 0.277 0.000 2.236 567 E HA -0.285 4.062 4.350 -0.006 0.000 0.205 567 E C 1.943 178.764 176.600 0.368 0.000 1.028 567 E CA 1.536 58.130 56.400 0.322 0.000 0.827 567 E CB -1.258 28.614 29.700 0.287 0.000 0.735 567 E HN 0.615 nan 8.360 nan 0.000 0.470 568 H N 1.192 120.359 119.070 0.162 0.000 2.253 568 H HA -0.088 4.464 4.556 -0.006 0.000 0.296 568 H C 2.338 177.734 175.328 0.113 0.000 1.074 568 H CA 1.423 57.543 56.048 0.119 0.000 1.263 568 H CB -0.104 29.751 29.762 0.155 0.000 1.363 568 H HN 0.092 nan 8.280 nan 0.000 0.489 569 K N 0.358 120.938 120.400 0.300 0.000 1.998 569 K HA -0.305 4.012 4.320 -0.006 0.000 0.228 569 K C 2.164 178.904 176.600 0.232 0.000 1.053 569 K CA 2.081 58.509 56.287 0.234 0.000 0.988 569 K CB -0.658 31.956 32.500 0.190 0.000 0.735 569 K HN 0.184 nan 8.250 nan 0.000 0.448 570 Y N 1.962 122.320 120.300 0.096 0.000 2.108 570 Y HA -0.386 4.161 4.550 -0.006 0.000 0.274 570 Y C 2.221 178.154 175.900 0.056 0.000 1.229 570 Y CA 2.368 60.508 58.100 0.067 0.000 1.129 570 Y CB -0.733 37.764 38.460 0.061 0.000 0.946 570 Y HN 0.240 nan 8.280 nan 0.000 0.509 571 E N -0.127 120.064 120.200 -0.014 0.000 2.016 571 E HA -0.109 4.237 4.350 -0.006 0.000 0.190 571 E C 2.190 178.753 176.600 -0.061 0.000 0.985 571 E CA 1.797 58.104 56.400 -0.154 0.000 0.802 571 E CB -0.506 29.111 29.700 -0.139 0.000 0.762 571 E HN 0.569 nan 8.360 nan 0.000 0.448 572 I N -0.013 120.561 120.570 0.006 0.000 2.479 572 I HA -0.262 3.905 4.170 -0.006 0.000 0.258 572 I C 2.114 178.273 176.117 0.071 0.000 1.165 572 I CA 0.548 61.862 61.300 0.023 0.000 1.422 572 I CB -0.360 37.703 38.000 0.104 0.000 1.087 572 I HN 0.052 nan 8.210 nan 0.000 0.441 573 V N 0.795 120.756 119.914 0.079 0.000 2.426 573 V HA -0.182 3.934 4.120 -0.006 0.000 0.242 573 V C 2.566 178.682 176.094 0.037 0.000 1.036 573 V CA 1.599 63.947 62.300 0.080 0.000 1.044 573 V CB -0.293 31.597 31.823 0.113 0.000 0.688 573 V HN 0.380 nan 8.190 nan 0.000 0.462 574 K N 0.093 120.490 120.400 -0.005 0.000 2.173 574 K HA -0.243 4.073 4.320 -0.006 0.000 0.207 574 K C 2.035 178.611 176.600 -0.040 0.000 1.046 574 K CA 1.529 57.788 56.287 -0.046 0.000 0.929 574 K CB 0.035 32.431 32.500 -0.174 0.000 0.720 574 K HN 0.272 nan 8.250 nan 0.000 0.453 575 K N 0.372 120.745 120.400 -0.044 0.000 2.128 575 K HA -0.014 4.302 4.320 -0.006 0.000 0.202 575 K C 2.193 178.774 176.600 -0.032 0.000 1.050 575 K CA 0.687 56.947 56.287 -0.044 0.000 0.966 575 K CB -0.379 32.087 32.500 -0.057 0.000 0.759 575 K HN 0.188 nan 8.250 nan 0.000 0.454 576 L N 1.869 123.084 121.223 -0.014 0.000 1.971 576 L HA -0.311 4.026 4.340 -0.006 0.000 0.215 576 L C 2.692 179.566 176.870 0.006 0.000 1.072 576 L CA 1.751 56.578 54.840 -0.022 0.000 0.758 576 L CB -0.483 41.596 42.059 0.034 0.000 0.889 576 L HN 0.255 nan 8.230 nan 0.000 0.433 577 Q N -0.749 119.079 119.800 0.046 0.000 2.135 577 Q HA -0.304 4.032 4.340 -0.006 0.000 0.204 577 Q C 2.023 178.061 176.000 0.062 0.000 0.981 577 Q CA 1.834 57.679 55.803 0.070 0.000 0.856 577 Q CB -0.397 28.370 28.738 0.049 0.000 0.902 577 Q HN 0.503 nan 8.270 nan 0.000 0.425 578 E N 0.844 121.060 120.200 0.026 0.000 2.267 578 E HA -0.177 4.170 4.350 -0.006 0.000 0.197 578 E C 1.354 177.974 176.600 0.033 0.000 0.998 578 E CA 0.421 56.832 56.400 0.018 0.000 0.830 578 E CB 0.200 29.895 29.700 -0.007 0.000 0.751 578 E HN 0.105 nan 8.360 nan 0.000 0.491 579 R N 0.985 121.502 120.500 0.028 0.000 2.346 579 R HA -0.006 4.331 4.340 -0.006 0.000 0.225 579 R C -0.242 176.239 176.300 0.302 0.000 0.987 579 R CA 0.140 56.276 56.100 0.059 0.000 1.106 579 R CB -0.022 30.166 30.300 -0.186 0.000 1.090 579 R HN -0.002 nan 8.270 nan 0.000 0.502 580 K N 0.598 121.120 120.400 0.203 0.000 3.393 580 K HA -0.196 4.120 4.320 -0.006 0.000 0.272 580 K C -1.186 175.520 176.600 0.176 0.000 1.004 580 K CA 0.739 57.118 56.287 0.154 0.000 0.764 580 K CB -2.047 30.505 32.500 0.087 0.000 1.373 580 K HN 0.371 nan 8.250 nan 0.000 0.458 581 H N -0.412 118.659 119.070 0.003 0.000 2.727 581 H HA 0.468 5.021 4.556 -0.005 0.000 0.330 581 H C 0.373 175.697 175.328 -0.007 0.000 0.986 581 H CA -0.668 55.380 56.048 0.001 0.000 1.251 581 H CB 0.800 30.568 29.762 0.009 0.000 1.493 581 H HN 0.135 nan 8.280 nan 0.000 0.515 582 I N 3.880 124.457 120.570 0.012 0.000 2.517 582 I HA 0.181 4.348 4.170 -0.006 0.000 0.285 582 I C -0.343 175.785 176.117 0.019 0.000 1.106 582 I CA 0.174 61.468 61.300 -0.010 0.000 1.402 582 I CB 0.145 38.108 38.000 -0.061 0.000 1.399 582 I HN 0.194 nan 8.210 nan 0.000 0.535 583 V N 5.388 125.317 119.914 0.024 0.000 2.777 583 V HA 0.611 4.727 4.120 -0.006 0.000 0.306 583 V C 0.185 176.290 176.094 0.019 0.000 1.112 583 V CA -0.624 61.696 62.300 0.033 0.000 0.917 583 V CB 1.940 33.802 31.823 0.066 0.000 1.018 583 V HN 0.853 nan 8.190 nan 0.000 0.426 584 G N 3.660 112.465 108.800 0.009 0.000 2.400 584 G HA2 0.800 4.757 3.960 -0.006 0.000 0.333 584 G HA3 0.800 4.757 3.960 -0.006 0.000 0.333 584 G C -0.958 173.950 174.900 0.013 0.000 1.143 584 G CA -0.568 44.536 45.100 0.006 0.000 0.914 584 G HN 0.695 nan 8.290 nan 0.000 0.480 585 M N 1.249 120.860 119.600 0.019 0.000 2.531 585 M HA 0.459 4.935 4.480 -0.006 0.000 0.286 585 M C -0.278 176.033 176.300 0.018 0.000 1.232 585 M CA -0.568 54.745 55.300 0.022 0.000 0.877 585 M CB 2.027 34.653 32.600 0.043 0.000 1.726 585 M HN 0.523 nan 8.290 nan 0.000 0.463 586 T N 1.499 116.060 114.554 0.011 0.000 2.748 586 T HA 0.653 4.999 4.350 -0.006 0.000 0.304 586 T C 0.194 174.905 174.700 0.018 0.000 1.041 586 T CA -0.069 62.036 62.100 0.009 0.000 1.033 586 T CB 0.872 69.741 68.868 0.001 0.000 0.995 586 T HN 0.804 nan 8.240 nan 0.000 0.536 587 G N -0.827 107.982 108.800 0.014 0.000 2.660 587 G HA2 0.576 4.532 3.960 -0.006 0.000 0.290 587 G HA3 0.576 4.532 3.960 -0.006 0.000 0.290 587 G C -0.837 174.071 174.900 0.014 0.000 1.432 587 G CA -0.457 44.653 45.100 0.017 0.000 0.807 587 G HN 0.649 nan 8.290 nan 0.000 0.485 588 D N -1.582 118.827 120.400 0.015 0.000 1.664 588 D HA 0.057 4.693 4.640 -0.006 0.000 0.621 588 D C 1.144 177.453 176.300 0.016 0.000 0.872 588 D CA 0.589 54.599 54.000 0.016 0.000 1.120 588 D CB -0.427 40.385 40.800 0.019 0.000 1.606 588 D HN 0.962 nan 8.370 nan 0.000 0.511 589 G N 1.295 110.105 108.800 0.016 0.000 2.569 589 G HA2 0.366 4.322 3.960 -0.006 0.000 0.249 589 G HA3 0.366 4.322 3.960 -0.006 0.000 0.249 589 G C 0.897 175.800 174.900 0.005 0.000 1.216 589 G CA 0.125 45.231 45.100 0.011 0.000 0.845 589 G HN 0.094 nan 8.290 nan 0.000 0.568 590 V N 1.079 120.991 119.914 -0.004 0.000 2.488 590 V HA -0.126 3.991 4.120 -0.006 0.000 0.246 590 V C 2.305 178.397 176.094 -0.003 0.000 1.046 590 V CA 1.830 64.126 62.300 -0.006 0.000 1.053 590 V CB -0.647 31.167 31.823 -0.015 0.000 0.679 590 V HN 0.773 nan 8.190 nan 0.000 0.458 591 N N 0.054 118.755 118.700 0.002 0.000 2.223 591 N HA -0.187 4.549 4.740 -0.006 0.000 0.185 591 N C 1.200 176.718 175.510 0.013 0.000 1.016 591 N CA 1.552 54.608 53.050 0.011 0.000 0.863 591 N CB -0.175 38.328 38.487 0.028 0.000 0.983 591 N HN 0.525 nan 8.380 nan 0.000 0.429 592 D N 1.008 121.418 120.400 0.017 0.000 2.354 592 D HA -0.081 4.556 4.640 -0.006 0.000 0.216 592 D C 1.783 178.089 176.300 0.011 0.000 0.970 592 D CA 0.433 54.448 54.000 0.024 0.000 0.905 592 D CB -0.090 40.725 40.800 0.025 0.000 0.903 592 D HN 0.248 nan 8.370 nan 0.000 0.508 593 A N 1.511 124.327 122.820 -0.006 0.000 1.870 593 A HA -0.228 4.089 4.320 -0.006 0.000 0.219 593 A C -0.057 177.501 177.584 -0.043 0.000 1.224 593 A CA 1.745 53.769 52.037 -0.022 0.000 0.650 593 A CB -1.770 17.211 19.000 -0.031 0.000 0.836 593 A HN 0.191 nan 8.150 nan 0.000 0.454 594 P HA -0.282 nan 4.420 nan 0.000 0.220 594 P C 1.736 178.988 177.300 -0.081 0.000 1.155 594 P CA 2.494 65.460 63.100 -0.223 0.000 0.880 594 P CB -0.234 31.263 31.700 -0.338 0.000 0.790 595 A N -0.722 122.120 122.820 0.036 0.000 1.834 595 A HA -0.211 4.105 4.320 -0.006 0.000 0.216 595 A C 2.273 179.898 177.584 0.067 0.000 1.203 595 A CA 1.914 54.015 52.037 0.107 0.000 0.621 595 A CB -1.674 17.390 19.000 0.107 0.000 0.841 595 A HN 0.093 nan 8.150 nan 0.000 0.446 596 L N -0.781 120.465 121.223 0.038 0.000 2.010 596 L HA -0.320 4.016 4.340 -0.006 0.000 0.219 596 L C 2.702 179.584 176.870 0.020 0.000 1.077 596 L CA 2.366 57.221 54.840 0.026 0.000 0.773 596 L CB -0.622 41.446 42.059 0.015 0.000 0.892 596 L HN 0.453 nan 8.230 nan 0.000 0.436 597 K N 0.007 120.410 120.400 0.006 0.000 1.991 597 K HA -0.249 4.067 4.320 -0.006 0.000 0.212 597 K C 2.279 178.894 176.600 0.026 0.000 1.049 597 K CA 1.652 57.942 56.287 0.005 0.000 0.932 597 K CB -0.040 32.447 32.500 -0.021 0.000 0.717 597 K HN -0.074 nan 8.250 nan 0.000 0.441 598 K N 1.072 121.500 120.400 0.047 0.000 1.985 598 K HA 0.001 4.318 4.320 -0.006 0.000 0.210 598 K C 0.026 176.677 176.600 0.086 0.000 1.047 598 K CA 1.365 57.713 56.287 0.103 0.000 0.932 598 K CB -0.920 31.722 32.500 0.236 0.000 0.716 598 K HN 0.253 nan 8.250 nan 0.000 0.439 599 A N 1.887 124.761 122.820 0.089 0.000 2.624 599 A HA -0.121 4.195 4.320 -0.006 0.000 0.231 599 A C 0.782 178.387 177.584 0.035 0.000 1.034 599 A CA 0.580 52.657 52.037 0.066 0.000 0.754 599 A CB -0.231 18.806 19.000 0.063 0.000 0.953 599 A HN 0.516 nan 8.150 nan 0.000 0.509 600 D N 0.431 120.844 120.400 0.022 0.000 2.205 600 D HA -0.195 4.442 4.640 -0.006 0.000 0.190 600 D C 1.461 177.748 176.300 -0.022 0.000 1.002 600 D CA 1.999 55.993 54.000 -0.010 0.000 0.848 600 D CB -0.251 40.537 40.800 -0.020 0.000 0.975 600 D HN 0.533 nan 8.370 nan 0.000 0.449 601 I N -1.488 119.071 120.570 -0.018 0.000 4.062 601 I HA 0.386 4.553 4.170 -0.006 0.000 0.202 601 I C 1.318 177.433 176.117 -0.003 0.000 1.549 601 I CA -0.143 61.145 61.300 -0.021 0.000 0.826 601 I CB -0.550 37.435 38.000 -0.025 0.000 1.835 601 I HN 0.197 nan 8.210 nan 0.000 0.851 602 G N 1.648 110.447 108.800 -0.002 0.000 4.357 602 G HA2 0.253 4.209 3.960 -0.006 0.000 0.234 602 G HA3 0.253 4.209 3.960 -0.006 0.000 0.234 602 G C -0.447 174.456 174.900 0.005 0.000 3.600 602 G CA -0.497 44.607 45.100 0.007 0.000 0.615 602 G HN 0.257 nan 8.290 nan 0.000 0.209 603 I N 0.837 121.408 120.570 0.002 0.000 2.683 603 I HA 0.463 4.629 4.170 -0.006 0.000 0.286 603 I C 0.566 176.685 176.117 0.004 0.000 1.175 603 I CA -0.125 61.175 61.300 0.000 0.000 1.429 603 I CB 0.478 38.476 38.000 -0.003 0.000 1.371 603 I HN 0.422 nan 8.210 nan 0.000 0.569 604 A N 6.993 129.814 122.820 0.003 0.000 2.651 604 A HA 0.465 4.781 4.320 -0.006 0.000 0.290 604 A C -0.434 177.152 177.584 0.004 0.000 1.185 604 A CA -0.597 51.443 52.037 0.005 0.000 0.746 604 A CB 0.987 19.991 19.000 0.007 0.000 1.213 604 A HN 0.652 nan 8.150 nan 0.000 0.429 605 V N 3.201 123.117 119.914 0.002 0.000 2.763 605 V HA 0.500 4.617 4.120 -0.006 0.000 0.306 605 V C 1.052 177.148 176.094 0.004 0.000 1.059 605 V CA 0.390 62.691 62.300 0.001 0.000 1.138 605 V CB 0.622 32.444 31.823 -0.002 0.000 0.940 605 V HN 1.771 nan 8.190 nan 0.000 0.489 606 A N 4.644 127.467 122.820 0.004 0.000 2.609 606 A HA 0.146 4.463 4.320 -0.006 0.000 0.235 606 A C 1.175 178.764 177.584 0.008 0.000 1.092 606 A CA 0.915 52.955 52.037 0.005 0.000 0.780 606 A CB -0.462 18.540 19.000 0.004 0.000 1.031 606 A HN 1.714 nan 8.150 nan 0.000 0.515 607 D N -1.730 118.676 120.400 0.009 0.000 3.046 607 D HA -0.216 4.420 4.640 -0.006 0.000 0.210 607 D C 0.884 177.195 176.300 0.018 0.000 1.124 607 D CA 1.832 55.841 54.000 0.015 0.000 0.986 607 D CB -1.334 39.477 40.800 0.019 0.000 1.118 607 D HN 1.125 nan 8.370 nan 0.000 0.416 608 A N -0.019 122.809 122.820 0.013 0.000 2.258 608 A HA 0.375 4.691 4.320 -0.006 0.000 0.206 608 A C 0.816 178.408 177.584 0.013 0.000 1.222 608 A CA 1.881 53.927 52.037 0.014 0.000 0.822 608 A CB -0.792 18.214 19.000 0.010 0.000 0.804 608 A HN 1.352 nan 8.150 nan 0.000 0.483 609 T N -3.850 110.712 114.554 0.013 0.000 0.541 609 T HA -0.168 4.178 4.350 -0.006 0.000 0.774 609 T C -0.258 174.446 174.700 0.007 0.000 0.992 609 T CA 0.716 62.822 62.100 0.011 0.000 4.077 609 T CB -1.485 67.389 68.868 0.011 0.000 2.303 609 T HN 0.432 nan 8.240 nan 0.000 0.398 610 D N 1.551 121.954 120.400 0.004 0.000 2.363 610 D HA 0.432 5.068 4.640 -0.006 0.000 0.226 610 D C 2.009 178.315 176.300 0.010 0.000 1.020 610 D CA 0.926 54.929 54.000 0.005 0.000 0.892 610 D CB -0.217 40.584 40.800 0.000 0.000 0.900 610 D HN 0.893 nan 8.370 nan 0.000 0.531 611 A N 0.817 123.643 122.820 0.009 0.000 1.871 611 A HA 0.319 4.635 4.320 -0.006 0.000 0.211 611 A C 2.249 179.839 177.584 0.010 0.000 1.207 611 A CA 0.944 52.988 52.037 0.010 0.000 0.620 611 A CB -0.816 18.187 19.000 0.005 0.000 0.860 611 A HN 0.199 nan 8.150 nan 0.000 0.450 612 A N 0.564 123.389 122.820 0.007 0.000 1.873 612 A HA -0.244 4.073 4.320 -0.006 0.000 0.218 612 A C 2.182 179.771 177.584 0.009 0.000 1.193 612 A CA 1.800 53.841 52.037 0.007 0.000 0.629 612 A CB -0.694 18.311 19.000 0.009 0.000 0.826 612 A HN 0.535 nan 8.150 nan 0.000 0.447 613 R N -1.031 119.474 120.500 0.009 0.000 2.153 613 R HA -0.205 4.132 4.340 -0.006 0.000 0.252 613 R C 2.181 178.488 176.300 0.011 0.000 1.158 613 R CA 1.287 57.392 56.100 0.009 0.000 0.975 613 R CB -1.074 29.231 30.300 0.008 0.000 0.871 613 R HN 0.565 nan 8.270 nan 0.000 0.450 614 G N 0.202 109.011 108.800 0.014 0.000 2.537 614 G HA2 -0.161 3.796 3.960 -0.006 0.000 0.220 614 G HA3 -0.161 3.796 3.960 -0.006 0.000 0.220 614 G C 1.002 175.912 174.900 0.016 0.000 1.111 614 G CA 0.913 46.025 45.100 0.019 0.000 0.748 614 G HN 0.479 nan 8.290 nan 0.000 0.564 615 A N -0.554 122.272 122.820 0.011 0.000 2.671 615 A HA 0.583 4.899 4.320 -0.006 0.000 0.265 615 A C 0.870 178.459 177.584 0.009 0.000 1.148 615 A CA 0.077 52.119 52.037 0.008 0.000 0.977 615 A CB 0.503 19.503 19.000 -0.001 0.000 1.242 615 A HN 0.158 nan 8.150 nan 0.000 0.591 616 S N 1.226 116.932 115.700 0.010 0.000 2.565 616 S HA 0.272 4.738 4.470 -0.006 0.000 0.276 616 S C -0.189 174.417 174.600 0.009 0.000 1.326 616 S CA -0.306 57.899 58.200 0.009 0.000 1.045 616 S CB 1.057 64.262 63.200 0.008 0.000 0.918 616 S HN 0.282 nan 8.310 nan 0.000 0.505 617 D N 1.035 121.438 120.400 0.005 0.000 2.328 617 D HA 0.352 4.988 4.640 -0.006 0.000 0.221 617 D C 0.581 176.879 176.300 -0.004 0.000 1.072 617 D CA 0.461 54.461 54.000 -0.000 0.000 0.850 617 D CB 0.043 40.837 40.800 -0.011 0.000 0.922 617 D HN 0.456 nan 8.370 nan 0.000 0.516 618 I N -1.918 118.651 120.570 -0.000 0.000 3.637 618 I HA 0.330 4.496 4.170 -0.006 0.000 0.304 618 I C -1.150 174.968 176.117 0.002 0.000 1.222 618 I CA -1.008 60.292 61.300 -0.001 0.000 1.170 618 I CB 2.005 40.002 38.000 -0.004 0.000 1.234 618 I HN -0.487 nan 8.210 nan 0.000 0.419 619 V N 2.274 122.189 119.914 0.002 0.000 2.912 619 V HA 0.091 4.208 4.120 -0.006 0.000 0.238 619 V C -1.295 174.801 176.094 0.003 0.000 1.859 619 V CA -0.484 61.818 62.300 0.003 0.000 0.800 619 V CB 1.456 33.281 31.823 0.003 0.000 1.233 619 V HN 0.385 nan 8.190 nan 0.000 0.523 620 L N 3.904 125.128 121.223 0.002 0.000 2.454 620 L HA 0.776 5.113 4.340 -0.006 0.000 0.256 620 L C 1.331 178.203 176.870 0.003 0.000 1.136 620 L CA 0.650 55.491 54.840 0.003 0.000 0.804 620 L CB 1.217 43.276 42.059 0.000 0.000 1.181 620 L HN 0.825 nan 8.230 nan 0.000 0.469 621 T N -3.814 110.743 114.554 0.005 0.000 3.058 621 T HA 0.382 4.729 4.350 -0.006 0.000 0.278 621 T C 0.169 174.872 174.700 0.005 0.000 0.974 621 T CA -0.248 61.855 62.100 0.005 0.000 0.893 621 T CB 0.178 69.050 68.868 0.006 0.000 1.138 621 T HN 0.305 nan 8.240 nan 0.000 0.529 622 E N 1.817 122.019 120.200 0.004 0.000 2.234 622 E HA 0.526 4.873 4.350 -0.006 0.000 0.266 622 E C -2.076 174.523 176.600 -0.002 0.000 0.877 622 E CA -2.413 53.989 56.400 0.003 0.000 0.758 622 E CB 1.970 31.672 29.700 0.004 0.000 1.170 622 E HN -0.104 nan 8.360 nan 0.000 0.415 623 P HA -0.163 nan 4.420 nan 0.000 0.219 623 P C 0.207 177.498 177.300 -0.016 0.000 0.910 623 P CA 1.130 64.226 63.100 -0.007 0.000 1.033 623 P CB -0.214 31.484 31.700 -0.003 0.000 0.630 624 G N -0.644 108.143 108.800 -0.023 0.000 2.464 624 G HA2 -0.042 3.914 3.960 -0.006 0.000 0.231 624 G HA3 -0.042 3.914 3.960 -0.006 0.000 0.231 624 G C 0.808 175.682 174.900 -0.043 0.000 1.267 624 G CA -0.313 44.763 45.100 -0.040 0.000 0.863 624 G HN 0.356 nan 8.290 nan 0.000 0.559 625 L N 2.126 123.319 121.223 -0.050 0.000 2.349 625 L HA -0.076 4.261 4.340 -0.006 0.000 0.220 625 L C 2.666 179.506 176.870 -0.051 0.000 1.130 625 L CA 2.110 56.922 54.840 -0.047 0.000 0.791 625 L CB -0.513 41.516 42.059 -0.050 0.000 0.918 625 L HN 0.556 nan 8.230 nan 0.000 0.444 626 S N -2.093 113.568 115.700 -0.066 0.000 2.547 626 S HA -0.054 4.413 4.470 -0.006 0.000 0.235 626 S C 1.593 176.167 174.600 -0.043 0.000 0.980 626 S CA 1.000 59.158 58.200 -0.069 0.000 0.941 626 S CB -0.179 62.958 63.200 -0.105 0.000 0.763 626 S HN 0.358 nan 8.310 nan 0.000 0.532 627 V N 0.619 120.513 119.914 -0.033 0.000 2.581 627 V HA 0.149 4.266 4.120 -0.006 0.000 0.240 627 V C 2.114 178.198 176.094 -0.017 0.000 1.054 627 V CA 0.627 62.916 62.300 -0.020 0.000 1.076 627 V CB -0.500 31.315 31.823 -0.014 0.000 0.748 627 V HN 0.412 nan 8.190 nan 0.000 0.474 628 I N 0.241 120.799 120.570 -0.020 0.000 2.264 628 I HA -0.266 3.900 4.170 -0.006 0.000 0.248 628 I C 2.351 178.456 176.117 -0.019 0.000 1.111 628 I CA 1.894 63.183 61.300 -0.018 0.000 1.382 628 I CB -0.165 37.822 38.000 -0.021 0.000 1.060 628 I HN 0.310 nan 8.210 nan 0.000 0.418 629 I N -0.170 120.386 120.570 -0.023 0.000 2.756 629 I HA -0.205 3.961 4.170 -0.006 0.000 0.262 629 I C 2.318 178.425 176.117 -0.017 0.000 1.225 629 I CA 1.278 62.565 61.300 -0.022 0.000 1.472 629 I CB -0.085 37.898 38.000 -0.028 0.000 1.094 629 I HN 0.037 nan 8.210 nan 0.000 0.454 630 S N 0.468 116.159 115.700 -0.014 0.000 2.356 630 S HA 0.090 4.557 4.470 -0.006 0.000 0.219 630 S C 2.093 176.692 174.600 -0.003 0.000 1.036 630 S CA 0.840 59.036 58.200 -0.007 0.000 0.965 630 S CB -0.414 62.783 63.200 -0.005 0.000 0.864 630 S HN 0.578 nan 8.310 nan 0.000 0.471 631 A N 0.625 123.443 122.820 -0.003 0.000 2.272 631 A HA -0.001 4.315 4.320 -0.006 0.000 0.213 631 A C 2.009 179.590 177.584 -0.005 0.000 1.183 631 A CA 0.992 53.028 52.037 -0.001 0.000 0.719 631 A CB -0.515 18.483 19.000 -0.003 0.000 0.771 631 A HN 0.363 nan 8.150 nan 0.000 0.484 632 V N -1.603 118.305 119.914 -0.009 0.000 2.949 632 V HA 0.145 4.261 4.120 -0.006 0.000 0.245 632 V C 1.899 177.991 176.094 -0.003 0.000 1.086 632 V CA 1.146 63.437 62.300 -0.014 0.000 1.097 632 V CB 0.113 31.924 31.823 -0.020 0.000 0.762 632 V HN 0.542 nan 8.190 nan 0.000 0.470 633 L N -0.485 120.738 121.223 0.001 0.000 2.446 633 L HA 0.033 4.369 4.340 -0.006 0.000 0.219 633 L C 2.366 179.247 176.870 0.018 0.000 1.116 633 L CA 1.392 56.238 54.840 0.009 0.000 0.844 633 L CB 0.037 42.099 42.059 0.003 0.000 0.970 633 L HN 0.363 nan 8.230 nan 0.000 0.457 634 T N -2.016 112.548 114.554 0.018 0.000 2.770 634 T HA -0.162 4.184 4.350 -0.006 0.000 0.263 634 T C 1.933 176.658 174.700 0.042 0.000 1.039 634 T CA 1.832 63.948 62.100 0.026 0.000 1.142 634 T CB 0.109 68.992 68.868 0.025 0.000 0.868 634 T HN 0.235 nan 8.240 nan 0.000 0.435 635 S N -0.365 115.360 115.700 0.041 0.000 2.528 635 S HA 0.193 4.659 4.470 -0.006 0.000 0.219 635 S C 1.856 176.514 174.600 0.097 0.000 0.985 635 S CA 0.054 58.294 58.200 0.068 0.000 0.914 635 S CB -0.188 63.035 63.200 0.039 0.000 0.776 635 S HN 0.355 nan 8.310 nan 0.000 0.526 636 R N 0.132 120.671 120.500 0.066 0.000 2.339 636 R HA 0.167 4.504 4.340 -0.006 0.000 0.199 636 R C 1.280 177.659 176.300 0.131 0.000 1.018 636 R CA 0.842 56.998 56.100 0.092 0.000 1.036 636 R CB -0.053 30.274 30.300 0.044 0.000 0.899 636 R HN 0.405 nan 8.270 nan 0.000 0.473 637 A N -0.564 122.322 122.820 0.111 0.000 1.964 637 A HA 0.099 4.416 4.320 -0.006 0.000 0.198 637 A C 1.453 179.080 177.584 0.073 0.000 1.599 637 A CA -0.287 51.794 52.037 0.074 0.000 0.968 637 A CB -0.100 18.920 19.000 0.034 0.000 1.029 637 A HN 0.196 nan 8.150 nan 0.000 0.508 638 I N 0.127 120.750 120.570 0.087 0.000 2.264 638 I HA -0.191 3.975 4.170 -0.006 0.000 0.248 638 I C 2.094 178.280 176.117 0.116 0.000 1.111 638 I CA 1.302 62.650 61.300 0.080 0.000 1.382 638 I CB -0.592 37.454 38.000 0.078 0.000 1.060 638 I HN 0.505 nan 8.210 nan 0.000 0.418 639 F N 0.627 120.590 119.950 0.021 0.000 2.293 639 F HA -0.215 4.311 4.527 -0.002 0.000 0.300 639 F C 2.402 178.229 175.800 0.045 0.000 1.086 639 F CA 1.518 59.539 58.000 0.036 0.000 1.375 639 F CB -0.423 38.597 39.000 0.034 0.000 1.045 639 F HN 0.134 nan 8.300 nan 0.000 0.516 640 Q N 1.682 121.430 119.800 -0.087 0.000 2.084 640 Q HA -0.213 4.123 4.340 -0.006 0.000 0.202 640 Q C 2.415 178.294 176.000 -0.200 0.000 0.978 640 Q CA 2.491 58.165 55.803 -0.215 0.000 0.844 640 Q CB -0.377 28.346 28.738 -0.025 0.000 0.898 640 Q HN 0.588 nan 8.270 nan 0.000 0.426 641 R N -0.196 120.237 120.500 -0.112 0.000 2.080 641 R HA -0.145 4.192 4.340 -0.006 0.000 0.236 641 R C 2.301 178.606 176.300 0.008 0.000 1.137 641 R CA 1.821 57.891 56.100 -0.050 0.000 0.943 641 R CB -0.976 29.307 30.300 -0.029 0.000 0.846 641 R HN 0.329 nan 8.270 nan 0.000 0.431 642 M N 0.899 120.477 119.600 -0.037 0.000 2.108 642 M HA -0.180 4.297 4.480 -0.006 0.000 0.257 642 M C 2.346 178.634 176.300 -0.019 0.000 1.071 642 M CA 1.808 57.123 55.300 0.024 0.000 1.093 642 M CB -0.348 32.235 32.600 -0.028 0.000 1.345 642 M HN 0.150 nan 8.290 nan 0.000 0.403 643 K N 0.490 120.730 120.400 -0.267 0.000 1.978 643 K HA -0.119 4.197 4.320 -0.006 0.000 0.221 643 K C 1.552 178.113 176.600 -0.064 0.000 1.036 643 K CA 1.453 57.597 56.287 -0.239 0.000 0.996 643 K CB -0.846 31.405 32.500 -0.414 0.000 0.755 643 K HN 0.334 nan 8.250 nan 0.000 0.445 644 N N 0.604 119.274 118.700 -0.049 0.000 2.182 644 N HA -0.242 4.495 4.740 -0.006 0.000 0.192 644 N C 1.790 177.342 175.510 0.069 0.000 1.007 644 N CA 1.474 54.536 53.050 0.020 0.000 0.873 644 N CB -0.489 38.018 38.487 0.034 0.000 0.998 644 N HN 0.365 nan 8.380 nan 0.000 0.436 645 Y N 1.665 121.978 120.300 0.021 0.000 2.200 645 Y HA -0.137 4.406 4.550 -0.012 0.000 0.290 645 Y C 2.478 178.449 175.900 0.117 0.000 1.137 645 Y CA 1.581 59.712 58.100 0.051 0.000 1.163 645 Y CB -0.763 37.710 38.460 0.022 0.000 0.988 645 Y HN -0.113 nan 8.280 nan 0.000 0.518 646 T N 1.415 115.795 114.554 -0.289 0.000 2.555 646 T HA -0.220 4.127 4.350 -0.006 0.000 0.264 646 T C 1.744 176.276 174.700 -0.281 0.000 1.083 646 T CA 2.503 64.392 62.100 -0.352 0.000 1.179 646 T CB -0.525 68.311 68.868 -0.052 0.000 0.863 646 T HN 0.278 nan 8.240 nan 0.000 0.412 647 I N 0.602 121.103 120.570 -0.114 0.000 2.147 647 I HA -0.223 3.943 4.170 -0.006 0.000 0.245 647 I C 1.987 178.065 176.117 -0.066 0.000 1.059 647 I CA 1.452 62.717 61.300 -0.057 0.000 1.320 647 I CB -1.078 36.920 38.000 -0.004 0.000 1.021 647 I HN 0.456 nan 8.210 nan 0.000 0.415 648 Y N 1.433 121.609 120.300 -0.207 0.000 2.114 648 Y HA -0.193 4.373 4.550 0.026 0.000 0.284 648 Y C 2.441 178.204 175.900 -0.228 0.000 1.143 648 Y CA 1.907 59.895 58.100 -0.186 0.000 1.135 648 Y CB -0.638 37.724 38.460 -0.163 0.000 0.980 648 Y HN 0.079 nan 8.280 nan 0.000 0.499 649 A N -0.174 122.435 122.820 -0.352 0.000 2.139 649 A HA -0.146 4.170 4.320 -0.006 0.000 0.221 649 A C 2.160 179.556 177.584 -0.313 0.000 1.159 649 A CA 1.919 53.698 52.037 -0.430 0.000 0.662 649 A CB -1.184 17.499 19.000 -0.528 0.000 0.796 649 A HN 0.452 nan 8.150 nan 0.000 0.463 650 V N -1.557 118.203 119.914 -0.257 0.000 2.436 650 V HA -0.090 4.026 4.120 -0.006 0.000 0.240 650 V C 2.585 178.563 176.094 -0.194 0.000 1.040 650 V CA 1.780 63.978 62.300 -0.170 0.000 1.052 650 V CB -0.367 31.393 31.823 -0.104 0.000 0.707 650 V HN 0.504 nan 8.190 nan 0.000 0.469 651 S N 0.158 115.732 115.700 -0.210 0.000 2.440 651 S HA -0.179 4.288 4.470 -0.006 0.000 0.240 651 S C 1.828 176.280 174.600 -0.247 0.000 1.014 651 S CA 1.242 59.322 58.200 -0.200 0.000 0.980 651 S CB -0.340 62.772 63.200 -0.147 0.000 0.775 651 S HN 0.346 nan 8.310 nan 0.000 0.499 652 I N 1.788 122.144 120.570 -0.356 0.000 2.113 652 I HA -0.143 4.023 4.170 -0.006 0.000 0.238 652 I C 2.130 178.150 176.117 -0.162 0.000 1.070 652 I CA 1.613 62.739 61.300 -0.289 0.000 1.332 652 I CB -1.140 36.642 38.000 -0.363 0.000 1.044 652 I HN 0.161 nan 8.210 nan 0.000 0.402 653 T N 1.115 115.568 114.554 -0.168 0.000 3.284 653 T HA 0.090 4.437 4.350 -0.006 0.000 0.252 653 T C 1.253 175.835 174.700 -0.198 0.000 1.144 653 T CA 0.435 62.449 62.100 -0.143 0.000 1.021 653 T CB -0.065 68.743 68.868 -0.099 0.000 0.984 653 T HN 0.054 nan 8.240 nan 0.000 0.545 654 I N 0.239 120.675 120.570 -0.223 0.000 4.081 654 I HA 0.316 4.482 4.170 -0.006 0.000 0.333 654 I C 1.799 177.711 176.117 -0.342 0.000 1.413 654 I CA 0.061 61.209 61.300 -0.252 0.000 1.110 654 I CB -0.248 37.646 38.000 -0.177 0.000 1.082 654 I HN 0.112 nan 8.210 nan 0.000 0.402 655 R N 1.624 121.892 120.500 -0.386 0.000 2.100 655 R HA 0.047 4.384 4.340 -0.006 0.000 0.220 655 R C 1.893 177.292 176.300 -1.501 0.000 1.091 655 R CA 0.541 56.365 56.100 -0.459 0.000 0.986 655 R CB -0.052 30.310 30.300 0.103 0.000 0.888 655 R HN 0.338 nan 8.270 nan 0.000 0.444 656 I N 0.594 120.023 120.570 -1.901 0.000 3.319 656 I HA -0.069 4.097 4.170 -0.006 0.000 0.340 656 I C 0.320 175.965 176.117 -0.787 0.000 1.079 656 I CA 0.503 60.698 61.300 -1.842 0.000 1.226 656 I CB 0.074 37.713 38.000 -0.603 0.000 0.990 656 I HN -0.116 nan 8.210 nan 0.000 0.626 657 V N -1.830 117.677 119.914 -0.677 0.000 3.444 657 V HA 0.181 4.298 4.120 -0.006 0.000 0.308 657 V C 1.571 177.634 176.094 -0.051 0.000 1.371 657 V CA 0.074 62.188 62.300 -0.310 0.000 1.141 657 V CB -1.978 29.647 31.823 -0.331 0.000 1.037 657 V HN 0.620 nan 8.190 nan 0.000 0.433 658 F N 1.856 121.879 119.950 0.123 0.000 2.059 658 F HA 0.346 4.824 4.527 -0.082 0.000 0.289 658 F C 2.427 178.304 175.800 0.129 0.000 1.128 658 F CA 1.213 59.317 58.000 0.172 0.000 1.181 658 F CB -1.398 37.822 39.000 0.366 0.000 1.012 658 F HN 0.112 nan 8.300 nan 0.000 0.473 659 G N -0.198 109.239 108.800 1.063 0.000 2.443 659 G HA2 -0.248 3.708 3.960 -0.006 0.000 0.219 659 G HA3 -0.248 3.708 3.960 -0.006 0.000 0.219 659 G C 1.490 176.523 174.900 0.220 0.000 1.131 659 G CA 0.512 45.875 45.100 0.439 0.000 0.775 659 G HN 0.491 nan 8.290 nan 0.000 0.547 660 F N 0.256 120.281 119.950 0.124 0.000 2.451 660 F HA 0.148 4.669 4.527 -0.010 0.000 0.299 660 F C 2.343 178.117 175.800 -0.043 0.000 1.101 660 F CA 0.770 58.782 58.000 0.020 0.000 1.436 660 F CB 0.185 39.178 39.000 -0.011 0.000 1.074 660 F HN 0.002 nan 8.300 nan 0.000 0.553 661 M N -0.346 119.344 119.600 0.150 0.000 2.369 661 M HA 0.049 4.525 4.480 -0.006 0.000 0.254 661 M C 1.225 177.393 176.300 -0.219 0.000 1.136 661 M CA 0.650 55.951 55.300 0.001 0.000 1.190 661 M CB -0.736 31.880 32.600 0.026 0.000 1.289 661 M HN -0.077 nan 8.290 nan 0.000 0.468 662 L N 1.624 122.632 121.223 -0.358 0.000 3.168 662 L HA -0.031 4.306 4.340 -0.006 0.000 0.253 662 L C 1.075 177.597 176.870 -0.580 0.000 1.384 662 L CA 0.743 55.199 54.840 -0.641 0.000 1.131 662 L CB -1.076 40.326 42.059 -1.095 0.000 1.552 662 L HN 0.330 nan 8.230 nan 0.000 0.431 663 I N -1.181 119.171 120.570 -0.363 0.000 3.231 663 I HA 0.043 4.210 4.170 -0.006 0.000 0.271 663 I C 2.069 178.050 176.117 -0.226 0.000 1.035 663 I CA 0.751 61.893 61.300 -0.263 0.000 1.757 663 I CB -0.657 37.221 38.000 -0.203 0.000 1.803 663 I HN 0.139 nan 8.210 nan 0.000 0.392 664 A N 1.116 123.767 122.820 -0.281 0.000 2.139 664 A HA -0.170 4.146 4.320 -0.006 0.000 0.221 664 A C 1.803 179.283 177.584 -0.173 0.000 1.159 664 A CA 1.664 53.555 52.037 -0.245 0.000 0.662 664 A CB -0.558 18.222 19.000 -0.367 0.000 0.796 664 A HN 0.393 nan 8.150 nan 0.000 0.463 665 L N -0.911 120.196 121.223 -0.193 0.000 2.415 665 L HA 0.276 4.612 4.340 -0.006 0.000 0.194 665 L C 1.665 178.435 176.870 -0.166 0.000 1.256 665 L CA 0.558 55.299 54.840 -0.165 0.000 1.974 665 L CB -0.341 41.608 42.059 -0.184 0.000 1.753 665 L HN 0.238 nan 8.230 nan 0.000 0.948 666 I N -1.387 119.044 120.570 -0.231 0.000 6.756 666 I HA -0.040 4.126 4.170 -0.006 0.000 0.197 666 I C 0.422 176.468 176.117 -0.117 0.000 0.859 666 I CA -0.027 61.149 61.300 -0.206 0.000 1.663 666 I CB -1.539 36.253 38.000 -0.347 0.000 1.322 666 I HN 0.603 nan 8.210 nan 0.000 0.471 667 W N 2.786 123.983 121.300 -0.171 0.000 2.073 667 W HA 0.091 4.747 4.660 -0.007 0.000 0.358 667 W C 0.984 177.371 176.519 -0.220 0.000 1.321 667 W CA -0.111 57.138 57.345 -0.160 0.000 1.317 667 W CB -0.043 29.346 29.460 -0.119 0.000 1.226 667 W HN 0.245 nan 8.180 nan 0.000 0.622 668 E N 1.980 122.249 120.200 0.114 0.000 3.227 668 E HA 0.093 4.440 4.350 -0.006 0.000 0.455 668 E C 0.410 177.083 176.600 0.122 0.000 0.292 668 E CA -0.120 56.282 56.400 0.004 0.000 2.635 668 E CB -1.068 28.632 29.700 0.001 0.000 2.232 668 E HN 0.469 nan 8.360 nan 0.000 0.443 669 F N 2.881 122.975 119.950 0.240 0.000 2.350 669 F HA -0.031 4.491 4.527 -0.009 0.000 0.420 669 F C 0.283 176.315 175.800 0.387 0.000 0.939 669 F CA -0.579 57.525 58.000 0.173 0.000 1.066 669 F CB -0.712 38.296 39.000 0.014 0.000 0.876 669 F HN 0.020 nan 8.300 nan 0.000 0.515 670 D N 2.221 122.916 120.400 0.492 0.000 2.614 670 D HA 0.602 5.239 4.640 -0.006 0.000 0.264 670 D C 0.047 176.811 176.300 0.772 0.000 1.092 670 D CA -0.844 53.610 54.000 0.757 0.000 1.071 670 D CB 0.568 41.342 40.800 -0.044 0.000 1.443 670 D HN 0.275 nan 8.370 nan 0.000 0.528 671 F N -0.286 119.979 119.950 0.524 0.000 1.378 671 F HA -0.113 4.446 4.527 0.054 0.000 0.066 671 F C 0.970 176.993 175.800 0.371 0.000 0.132 671 F CA 0.787 58.882 58.000 0.159 0.000 0.283 671 F CB -1.747 37.271 39.000 0.029 0.000 0.715 671 F HN 0.574 nan 8.300 nan 0.000 0.665 672 S N -2.621 113.345 115.700 0.443 0.000 2.683 672 S HA 0.704 5.170 4.470 -0.006 0.000 0.269 672 S C 0.167 174.880 174.600 0.188 0.000 1.165 672 S CA -0.362 58.025 58.200 0.312 0.000 0.840 672 S CB 1.063 64.445 63.200 0.304 0.000 1.169 672 S HN 0.903 nan 8.310 nan 0.000 0.490 673 A N 0.767 123.684 122.820 0.162 0.000 1.903 673 A HA 0.331 4.647 4.320 -0.006 0.000 0.217 673 A C 1.340 178.983 177.584 0.099 0.000 1.387 673 A CA 0.881 52.984 52.037 0.110 0.000 0.604 673 A CB -1.121 17.947 19.000 0.112 0.000 1.043 673 A HN 0.740 nan 8.150 nan 0.000 0.481 674 F N -0.865 119.084 119.950 -0.003 0.000 2.605 674 F HA -0.089 4.447 4.527 0.014 0.000 0.296 674 F C 1.723 177.510 175.800 -0.022 0.000 1.146 674 F CA 1.046 59.023 58.000 -0.037 0.000 1.478 674 F CB 0.119 39.074 39.000 -0.075 0.000 1.107 674 F HN 0.114 nan 8.300 nan 0.000 0.600 675 M N -1.829 117.822 119.600 0.084 0.000 2.730 675 M HA 0.110 4.586 4.480 -0.006 0.000 0.258 675 M C 1.951 178.201 176.300 -0.083 0.000 1.279 675 M CA 0.680 56.003 55.300 0.037 0.000 1.183 675 M CB -0.522 32.157 32.600 0.132 0.000 1.291 675 M HN -0.059 nan 8.290 nan 0.000 0.518 676 V N 0.082 119.933 119.914 -0.105 0.000 2.488 676 V HA -0.137 3.980 4.120 -0.006 0.000 0.246 676 V C 2.276 178.261 176.094 -0.182 0.000 1.046 676 V CA 0.920 63.096 62.300 -0.207 0.000 1.053 676 V CB -0.328 31.355 31.823 -0.235 0.000 0.679 676 V HN 0.332 nan 8.190 nan 0.000 0.458 677 L N 0.276 121.389 121.223 -0.183 0.000 1.989 677 L HA -0.109 4.227 4.340 -0.006 0.000 0.211 677 L C 1.779 178.486 176.870 -0.271 0.000 1.071 677 L CA 2.167 56.871 54.840 -0.227 0.000 0.749 677 L CB -0.701 41.180 42.059 -0.297 0.000 0.890 677 L HN 0.240 nan 8.230 nan 0.000 0.431 678 I N 0.113 120.463 120.570 -0.367 0.000 3.539 678 I HA -0.067 4.099 4.170 -0.006 0.000 0.297 678 I C 1.565 177.600 176.117 -0.137 0.000 1.284 678 I CA 0.841 61.970 61.300 -0.284 0.000 1.355 678 I CB -0.808 37.000 38.000 -0.320 0.000 1.144 678 I HN 0.351 nan 8.210 nan 0.000 0.495 679 I N -0.528 119.965 120.570 -0.130 0.000 4.676 679 I HA 0.093 4.259 4.170 -0.006 0.000 0.306 679 I C 2.071 178.158 176.117 -0.050 0.000 1.178 679 I CA 0.497 61.741 61.300 -0.093 0.000 1.335 679 I CB 0.443 38.358 38.000 -0.142 0.000 1.541 679 I HN 0.096 nan 8.210 nan 0.000 0.469 680 A N 1.148 123.928 122.820 -0.068 0.000 1.878 680 A HA 0.050 4.367 4.320 -0.006 0.000 0.213 680 A C 1.989 179.573 177.584 -0.000 0.000 1.192 680 A CA 0.750 52.775 52.037 -0.021 0.000 0.619 680 A CB -0.484 18.492 19.000 -0.040 0.000 0.837 680 A HN 0.382 nan 8.150 nan 0.000 0.446 681 I N 0.680 121.227 120.570 -0.039 0.000 2.756 681 I HA -0.138 4.028 4.170 -0.006 0.000 0.262 681 I C 2.191 178.311 176.117 0.005 0.000 1.225 681 I CA 0.805 62.092 61.300 -0.021 0.000 1.472 681 I CB -0.362 37.601 38.000 -0.062 0.000 1.094 681 I HN 0.355 nan 8.210 nan 0.000 0.454 682 L N 2.145 123.365 121.223 -0.005 0.000 1.948 682 L HA -0.217 4.120 4.340 -0.006 0.000 0.212 682 L C 1.803 178.719 176.870 0.076 0.000 1.074 682 L CA 2.557 57.405 54.840 0.013 0.000 0.753 682 L CB -1.290 40.757 42.059 -0.019 0.000 0.888 682 L HN 0.466 nan 8.230 nan 0.000 0.432 683 N N -1.237 117.551 118.700 0.146 0.000 2.501 683 N HA -0.165 4.571 4.740 -0.006 0.000 0.195 683 N C 0.767 176.422 175.510 0.243 0.000 1.213 683 N CA 0.315 53.564 53.050 0.331 0.000 0.864 683 N CB 0.023 38.833 38.487 0.538 0.000 0.999 683 N HN 0.410 nan 8.380 nan 0.000 0.454 684 D N 1.566 122.054 120.400 0.147 0.000 2.121 684 D HA 0.003 4.640 4.640 -0.006 0.000 0.209 684 D C 1.799 178.163 176.300 0.106 0.000 0.981 684 D CA 1.252 55.318 54.000 0.111 0.000 0.875 684 D CB -0.634 40.207 40.800 0.069 0.000 1.016 684 D HN 0.362 nan 8.370 nan 0.000 0.452 685 G N -0.895 107.959 108.800 0.089 0.000 3.194 685 G HA2 -0.037 3.920 3.960 -0.006 0.000 0.208 685 G HA3 -0.037 3.920 3.960 -0.006 0.000 0.208 685 G C 0.565 175.530 174.900 0.110 0.000 1.240 685 G CA 1.363 46.510 45.100 0.078 0.000 1.044 685 G HN 0.422 nan 8.290 nan 0.000 0.495 686 T N -4.331 110.316 114.554 0.154 0.000 3.326 686 T HA 0.166 4.512 4.350 -0.006 0.000 0.302 686 T C 1.327 176.091 174.700 0.107 0.000 0.908 686 T CA -0.194 62.034 62.100 0.213 0.000 0.933 686 T CB -0.066 69.079 68.868 0.462 0.000 1.194 686 T HN 0.031 nan 8.240 nan 0.000 0.585 687 I N 0.692 121.304 120.570 0.069 0.000 3.462 687 I HA 0.426 4.592 4.170 -0.006 0.000 0.290 687 I C 1.128 177.216 176.117 -0.048 0.000 1.236 687 I CA 0.282 61.590 61.300 0.013 0.000 1.418 687 I CB 0.080 38.158 38.000 0.130 0.000 1.102 687 I HN 0.133 nan 8.210 nan 0.000 0.441 688 M N 0.697 120.287 119.600 -0.018 0.000 2.766 688 M HA 0.075 4.552 4.480 -0.006 0.000 0.208 688 M C 0.616 176.896 176.300 -0.034 0.000 1.152 688 M CA 0.609 55.885 55.300 -0.041 0.000 1.013 688 M CB -1.891 30.702 32.600 -0.011 0.000 1.813 688 M HN 0.108 nan 8.290 nan 0.000 0.478 689 T N -0.359 114.169 114.554 -0.044 0.000 3.258 689 T HA 0.289 4.635 4.350 -0.006 0.000 0.263 689 T C 0.454 175.130 174.700 -0.040 0.000 0.983 689 T CA -0.191 61.893 62.100 -0.027 0.000 0.907 689 T CB 0.365 69.225 68.868 -0.014 0.000 1.096 689 T HN 0.021 nan 8.240 nan 0.000 0.556 690 I N 2.157 122.681 120.570 -0.076 0.000 2.307 690 I HA 0.411 4.578 4.170 -0.006 0.000 0.287 690 I C 0.389 176.482 176.117 -0.041 0.000 1.054 690 I CA -0.691 60.568 61.300 -0.068 0.000 1.218 690 I CB 0.277 38.177 38.000 -0.167 0.000 1.398 690 I HN 0.053 nan 8.210 nan 0.000 0.475 691 S N 4.431 120.132 115.700 0.002 0.000 2.885 691 S HA 0.151 4.617 4.470 -0.006 0.000 0.238 691 S C 0.511 175.129 174.600 0.030 0.000 0.766 691 S CA -0.682 57.525 58.200 0.010 0.000 1.089 691 S CB 0.447 63.654 63.200 0.012 0.000 1.396 691 S HN 0.396 nan 8.310 nan 0.000 0.509 692 K N 2.259 122.687 120.400 0.046 0.000 2.170 692 K HA 0.210 4.527 4.320 -0.006 0.000 0.241 692 K C -0.379 176.230 176.600 0.015 0.000 1.071 692 K CA 0.376 56.709 56.287 0.076 0.000 0.822 692 K CB 0.102 32.675 32.500 0.121 0.000 1.097 692 K HN 0.175 nan 8.250 nan 0.000 0.522 693 D N 0.995 121.395 120.400 0.000 0.000 2.549 693 D HA 0.368 5.005 4.640 -0.006 0.000 0.251 693 D C -0.115 176.151 176.300 -0.058 0.000 1.153 693 D CA -0.351 53.648 54.000 -0.001 0.000 0.861 693 D CB 1.246 42.078 40.800 0.055 0.000 1.207 693 D HN 0.241 nan 8.370 nan 0.000 0.543 694 R N 0.255 120.714 120.500 -0.068 0.000 2.869 694 R HA 0.613 4.950 4.340 -0.006 0.000 0.263 694 R C 0.531 176.829 176.300 -0.002 0.000 1.066 694 R CA -1.069 54.983 56.100 -0.081 0.000 0.960 694 R CB 1.086 31.245 30.300 -0.234 0.000 1.221 694 R HN 0.180 nan 8.270 nan 0.000 0.474 695 V N -0.149 119.784 119.914 0.032 0.000 4.084 695 V HA 0.038 4.154 4.120 -0.006 0.000 0.270 695 V C 0.114 176.223 176.094 0.024 0.000 0.912 695 V CA 0.243 62.566 62.300 0.039 0.000 0.918 695 V CB -0.312 31.551 31.823 0.066 0.000 1.196 695 V HN 0.919 nan 8.190 nan 0.000 0.422 696 K N -0.728 119.688 120.400 0.026 0.000 2.793 696 K HA 0.497 4.814 4.320 -0.006 0.000 0.269 696 K C -3.080 173.534 176.600 0.025 0.000 1.124 696 K CA -1.143 55.160 56.287 0.026 0.000 1.074 696 K CB 1.333 33.840 32.500 0.013 0.000 1.322 696 K HN 0.488 nan 8.250 nan 0.000 0.532 697 P HA 0.260 nan 4.420 nan 0.000 0.302 697 P C 0.330 177.640 177.300 0.016 0.000 1.393 697 P CA 0.463 63.581 63.100 0.031 0.000 0.818 697 P CB 0.283 32.021 31.700 0.063 0.000 1.974 698 S N -4.394 111.316 115.700 0.016 0.000 6.084 698 S HA 0.192 4.658 4.470 -0.006 0.000 0.113 698 S C -2.657 171.936 174.600 -0.012 0.000 1.162 698 S CA -0.250 57.948 58.200 -0.003 0.000 1.406 698 S CB -1.384 61.809 63.200 -0.012 0.000 1.969 698 S HN 0.181 nan 8.310 nan 0.000 0.555 699 P HA 0.504 nan 4.420 nan 0.000 0.292 699 P C -1.074 176.244 177.300 0.031 0.000 1.287 699 P CA 0.239 63.336 63.100 -0.005 0.000 0.800 699 P CB 1.327 33.027 31.700 -0.001 0.000 0.945 700 T N 1.167 115.714 114.554 -0.011 0.000 2.930 700 T HA 0.759 5.106 4.350 -0.006 0.000 0.313 700 T C -3.045 171.646 174.700 -0.015 0.000 1.019 700 T CA -1.923 60.174 62.100 -0.004 0.000 1.004 700 T CB 1.461 70.142 68.868 -0.312 0.000 0.987 700 T HN 0.130 nan 8.240 nan 0.000 0.456 701 P HA 0.553 nan 4.420 nan 0.000 0.337 701 P C -2.060 175.552 177.300 0.520 0.000 1.467 701 P CA -0.532 62.769 63.100 0.334 0.000 1.313 701 P CB 2.020 33.910 31.700 0.317 0.000 2.043 702 D N 0.206 120.763 120.400 0.262 0.000 2.414 702 D HA 0.499 5.135 4.640 -0.006 0.000 0.232 702 D C 0.203 176.364 176.300 -0.233 0.000 1.070 702 D CA -0.730 53.367 54.000 0.163 0.000 0.839 702 D CB 1.034 41.968 40.800 0.222 0.000 1.079 702 D HN 0.314 nan 8.370 nan 0.000 0.521 703 S N 1.602 117.000 115.700 -0.503 0.000 6.019 703 S HA 0.007 4.474 4.470 -0.006 0.000 0.113 703 S C 1.028 175.528 174.600 -0.167 0.000 1.136 703 S CA -0.645 57.202 58.200 -0.587 0.000 1.404 703 S CB -0.755 61.841 63.200 -1.006 0.000 2.048 703 S HN 0.612 nan 8.310 nan 0.000 0.602 704 W N 4.580 125.886 121.300 0.011 0.000 3.096 704 W HA 0.255 4.909 4.660 -0.010 0.000 0.241 704 W C 1.619 178.135 176.519 -0.006 0.000 1.316 704 W CA 0.185 57.526 57.345 -0.005 0.000 1.520 704 W CB -0.377 29.077 29.460 -0.009 0.000 1.128 704 W HN 0.419 nan 8.180 nan 0.000 0.707 705 K N 2.205 122.952 120.400 0.579 0.000 2.155 705 K HA -0.150 4.166 4.320 -0.006 0.000 0.203 705 K C 1.646 178.335 176.600 0.148 0.000 1.052 705 K CA 0.759 57.216 56.287 0.283 0.000 0.948 705 K CB -1.117 31.543 32.500 0.267 0.000 0.728 705 K HN 0.351 nan 8.250 nan 0.000 0.448 706 L N 1.320 122.621 121.223 0.131 0.000 2.189 706 L HA -0.189 4.148 4.340 -0.006 0.000 0.214 706 L C 2.618 179.521 176.870 0.056 0.000 1.097 706 L CA 1.754 56.636 54.840 0.069 0.000 0.764 706 L CB -0.179 41.914 42.059 0.057 0.000 0.900 706 L HN 0.243 nan 8.230 nan 0.000 0.436 707 K N 0.153 120.594 120.400 0.069 0.000 2.186 707 K HA -0.178 4.139 4.320 -0.006 0.000 0.202 707 K C 1.922 178.550 176.600 0.047 0.000 1.052 707 K CA 1.182 57.493 56.287 0.040 0.000 0.965 707 K CB -0.278 32.234 32.500 0.021 0.000 0.746 707 K HN 0.250 nan 8.250 nan 0.000 0.457 708 E N 1.338 121.567 120.200 0.048 0.000 2.463 708 E HA -0.155 4.192 4.350 -0.006 0.000 0.201 708 E C 1.310 177.921 176.600 0.018 0.000 1.045 708 E CA 0.714 57.127 56.400 0.022 0.000 0.872 708 E CB -0.094 29.611 29.700 0.008 0.000 0.797 708 E HN 0.429 nan 8.360 nan 0.000 0.538 709 I N 0.199 120.788 120.570 0.031 0.000 2.333 709 I HA -0.163 4.003 4.170 -0.006 0.000 0.246 709 I C 2.314 178.434 176.117 0.006 0.000 1.106 709 I CA 0.573 61.874 61.300 0.003 0.000 1.411 709 I CB -1.407 36.588 38.000 -0.008 0.000 1.082 709 I HN 0.048 nan 8.210 nan 0.000 0.420 710 F N 2.534 122.422 119.950 -0.104 0.000 2.085 710 F HA -0.324 4.200 4.527 -0.006 0.000 0.299 710 F C 2.455 178.171 175.800 -0.141 0.000 1.096 710 F CA 2.204 60.131 58.000 -0.123 0.000 1.227 710 F CB -0.148 38.783 39.000 -0.114 0.000 0.983 710 F HN 0.062 nan 8.300 nan 0.000 0.482 711 A N -1.454 121.365 122.820 -0.000 0.000 2.167 711 A HA 0.018 4.334 4.320 -0.006 0.000 0.214 711 A C 1.955 179.405 177.584 -0.222 0.000 1.151 711 A CA 1.483 53.416 52.037 -0.173 0.000 0.735 711 A CB -0.929 17.975 19.000 -0.160 0.000 0.802 711 A HN 0.464 nan 8.150 nan 0.000 0.467 712 T N -0.336 114.139 114.554 -0.131 0.000 2.739 712 T HA 0.102 4.448 4.350 -0.006 0.000 0.246 712 T C 1.947 176.584 174.700 -0.106 0.000 1.058 712 T CA 0.822 62.870 62.100 -0.087 0.000 1.184 712 T CB -0.973 67.865 68.868 -0.051 0.000 0.887 712 T HN 0.447 nan 8.240 nan 0.000 0.408 713 G N 1.896 110.614 108.800 -0.137 0.000 2.736 713 G HA2 -0.009 3.948 3.960 -0.006 0.000 0.206 713 G HA3 -0.009 3.948 3.960 -0.006 0.000 0.206 713 G C 1.422 176.190 174.900 -0.220 0.000 1.158 713 G CA 0.953 45.952 45.100 -0.167 0.000 0.801 713 G HN 0.509 nan 8.290 nan 0.000 0.528 714 V N -2.333 117.439 119.914 -0.237 0.000 2.341 714 V HA 0.002 4.119 4.120 -0.006 0.000 0.240 714 V C 2.525 178.576 176.094 -0.071 0.000 1.035 714 V CA 0.887 63.038 62.300 -0.248 0.000 1.033 714 V CB -0.855 30.776 31.823 -0.320 0.000 0.678 714 V HN 0.050 nan 8.190 nan 0.000 0.464 715 V N 0.426 120.343 119.914 0.005 0.000 2.568 715 V HA -0.195 3.921 4.120 -0.006 0.000 0.253 715 V C 2.581 178.768 176.094 0.155 0.000 1.072 715 V CA 1.892 64.255 62.300 0.106 0.000 1.084 715 V CB -0.612 31.300 31.823 0.148 0.000 0.676 715 V HN 0.402 nan 8.190 nan 0.000 0.469 716 L N 0.554 121.810 121.223 0.055 0.000 1.973 716 L HA 0.009 4.345 4.340 -0.006 0.000 0.208 716 L C 2.201 179.080 176.870 0.014 0.000 1.073 716 L CA 2.526 57.389 54.840 0.038 0.000 0.746 716 L CB -1.433 40.620 42.059 -0.011 0.000 0.891 716 L HN 0.368 nan 8.230 nan 0.000 0.433 717 G N -2.433 106.352 108.800 -0.024 0.000 3.651 717 G HA2 0.390 4.347 3.960 -0.006 0.000 0.279 717 G HA3 0.390 4.347 3.960 -0.006 0.000 0.279 717 G C 0.807 175.691 174.900 -0.026 0.000 1.024 717 G CA 0.436 45.539 45.100 0.006 0.000 0.813 717 G HN 0.473 nan 8.290 nan 0.000 0.518 718 G N -0.835 107.957 108.800 -0.014 0.000 4.238 718 G HA2 0.327 4.284 3.960 -0.006 0.000 0.292 718 G HA3 0.327 4.284 3.960 -0.006 0.000 0.292 718 G C 0.054 175.039 174.900 0.141 0.000 1.036 718 G CA -0.029 45.069 45.100 -0.003 0.000 0.812 718 G HN 0.344 nan 8.290 nan 0.000 0.489 719 Y N -0.996 119.300 120.300 -0.007 0.000 2.589 719 Y HA 0.154 4.698 4.550 -0.009 0.000 0.274 719 Y C 2.324 178.290 175.900 0.109 0.000 1.177 719 Y CA 0.239 58.384 58.100 0.075 0.000 1.123 719 Y CB 0.636 39.148 38.460 0.086 0.000 1.330 719 Y HN 0.199 nan 8.280 nan 0.000 0.518 720 Q N 1.277 121.019 119.800 -0.097 0.000 2.197 720 Q HA -0.207 4.129 4.340 -0.006 0.000 0.207 720 Q C 2.121 178.057 176.000 -0.107 0.000 0.984 720 Q CA 1.992 57.441 55.803 -0.589 0.000 0.869 720 Q CB -0.124 28.196 28.738 -0.697 0.000 0.906 720 Q HN 0.573 nan 8.270 nan 0.000 0.426 721 A N 0.431 123.240 122.820 -0.018 0.000 1.978 721 A HA -0.147 4.169 4.320 -0.006 0.000 0.220 721 A C 1.318 178.927 177.584 0.042 0.000 1.170 721 A CA 1.071 53.099 52.037 -0.015 0.000 0.636 721 A CB -0.425 18.573 19.000 -0.004 0.000 0.810 721 A HN 0.440 nan 8.150 nan 0.000 0.448 722 I N -0.140 120.509 120.570 0.131 0.000 3.600 722 I HA 0.045 4.212 4.170 -0.006 0.000 0.300 722 I C 1.251 177.476 176.117 0.180 0.000 1.284 722 I CA 0.730 62.123 61.300 0.155 0.000 1.259 722 I CB -0.981 37.147 38.000 0.213 0.000 1.081 722 I HN 0.502 nan 8.210 nan 0.000 0.465 723 M N 0.041 119.753 119.600 0.187 0.000 2.906 723 M HA 0.037 4.514 4.480 -0.006 0.000 0.252 723 M C 1.984 178.306 176.300 0.036 0.000 1.359 723 M CA 1.553 56.898 55.300 0.074 0.000 1.239 723 M CB -0.220 32.531 32.600 0.252 0.000 1.229 723 M HN 0.041 nan 8.290 nan 0.000 0.547 724 T N 0.516 115.087 114.554 0.028 0.000 2.570 724 T HA -0.142 4.205 4.350 -0.006 0.000 0.266 724 T C 1.417 176.170 174.700 0.088 0.000 1.071 724 T CA 2.292 64.425 62.100 0.055 0.000 1.172 724 T CB -0.514 68.276 68.868 -0.129 0.000 0.864 724 T HN 0.253 nan 8.240 nan 0.000 0.421 725 V N 1.643 121.559 119.914 0.003 0.000 3.467 725 V HA -0.037 4.079 4.120 -0.006 0.000 0.275 725 V C 1.703 177.910 176.094 0.187 0.000 1.230 725 V CA 0.998 63.324 62.300 0.044 0.000 1.196 725 V CB -1.180 30.638 31.823 -0.008 0.000 0.884 725 V HN 0.522 nan 8.190 nan 0.000 0.548 726 I N -2.181 118.542 120.570 0.255 0.000 3.526 726 I HA 0.127 4.293 4.170 -0.006 0.000 0.294 726 I C 1.250 177.645 176.117 0.462 0.000 1.229 726 I CA 0.846 62.335 61.300 0.315 0.000 1.408 726 I CB 0.141 38.287 38.000 0.244 0.000 1.127 726 I HN 0.217 nan 8.210 nan 0.000 0.439 727 F N 0.037 120.132 119.950 0.240 0.000 2.819 727 F HA 0.214 4.741 4.527 0.000 0.000 0.294 727 F C 0.981 177.111 175.800 0.550 0.000 1.166 727 F CA -0.038 58.151 58.000 0.315 0.000 1.374 727 F CB 0.293 39.425 39.000 0.221 0.000 0.956 727 F HN -0.044 nan 8.300 nan 0.000 0.509 728 F N -2.328 117.757 119.950 0.225 0.000 2.411 728 F HA 0.185 4.709 4.527 -0.006 0.000 0.286 728 F C -0.135 175.792 175.800 0.212 0.000 0.858 728 F CA -0.610 57.504 58.000 0.190 0.000 1.080 728 F CB -0.100 39.019 39.000 0.199 0.000 0.961 728 F HN -0.217 nan 8.300 nan 0.000 0.742 729 W N 1.257 122.695 121.300 0.230 0.000 2.294 729 W HA 0.625 5.281 4.660 -0.007 0.000 0.314 729 W C -0.145 176.403 176.519 0.049 0.000 1.044 729 W CA -0.620 56.788 57.345 0.105 0.000 1.284 729 W CB 1.332 30.848 29.460 0.093 0.000 1.231 729 W HN 0.027 nan 8.180 nan 0.000 0.419 730 A N 4.589 127.336 122.820 -0.123 0.000 2.683 730 A HA 0.496 4.813 4.320 -0.006 0.000 0.207 730 A C 0.049 177.466 177.584 -0.279 0.000 0.945 730 A CA -0.087 51.851 52.037 -0.165 0.000 1.233 730 A CB -0.649 18.258 19.000 -0.155 0.000 1.227 730 A HN 0.785 nan 8.150 nan 0.000 0.470 731 A N 2.168 124.735 122.820 -0.421 0.000 2.752 731 A HA 0.433 4.749 4.320 -0.006 0.000 0.292 731 A C 1.075 178.532 177.584 -0.212 0.000 1.597 731 A CA 1.241 53.090 52.037 -0.313 0.000 1.241 731 A CB -1.224 17.555 19.000 -0.367 0.000 1.061 731 A HN 1.962 nan 8.150 nan 0.000 0.576 732 H N 0.292 119.254 119.070 -0.179 0.000 3.628 732 H HA -0.113 4.440 4.556 -0.005 0.000 0.173 732 H C -0.302 174.993 175.328 -0.055 0.000 0.941 732 H CA 1.106 57.077 56.048 -0.128 0.000 1.224 732 H CB -1.389 28.308 29.762 -0.108 0.000 0.992 732 H HN 0.569 nan 8.280 nan 0.000 0.383 733 K N 1.691 121.930 120.400 -0.269 0.000 2.589 733 K HA 0.093 4.409 4.320 -0.006 0.000 0.204 733 K C 1.282 177.876 176.600 -0.010 0.000 1.029 733 K CA 1.093 57.292 56.287 -0.147 0.000 1.177 733 K CB 0.079 32.514 32.500 -0.109 0.000 0.902 733 K HN 0.728 nan 8.250 nan 0.000 0.501 734 T N -3.316 111.228 114.554 -0.016 0.000 3.594 734 T HA -0.042 4.305 4.350 -0.006 0.000 0.315 734 T C 0.229 174.907 174.700 -0.036 0.000 0.912 734 T CA -0.439 61.641 62.100 -0.034 0.000 0.985 734 T CB -0.139 68.650 68.868 -0.132 0.000 1.201 734 T HN 0.030 nan 8.240 nan 0.000 0.569 735 D N 1.105 121.544 120.400 0.065 0.000 2.403 735 D HA -0.006 4.630 4.640 -0.006 0.000 0.260 735 D C 0.879 177.353 176.300 0.291 0.000 1.243 735 D CA -0.877 53.166 54.000 0.071 0.000 0.918 735 D CB -1.005 39.935 40.800 0.234 0.000 0.939 735 D HN 0.584 nan 8.370 nan 0.000 0.507 736 F N 0.238 120.227 119.950 0.065 0.000 2.805 736 F HA 0.085 4.610 4.527 -0.003 0.000 0.301 736 F C 0.133 176.060 175.800 0.211 0.000 1.196 736 F CA -0.324 57.750 58.000 0.123 0.000 1.439 736 F CB -0.421 38.581 39.000 0.004 0.000 1.117 736 F HN -0.146 nan 8.300 nan 0.000 0.581 737 F N 0.009 119.850 119.950 -0.181 0.000 3.097 737 F HA -0.365 4.158 4.527 -0.006 0.000 0.278 737 F C 1.276 176.882 175.800 -0.323 0.000 0.917 737 F CA 0.903 58.755 58.000 -0.246 0.000 0.962 737 F CB -1.856 37.001 39.000 -0.240 0.000 0.964 737 F HN 0.181 nan 8.300 nan 0.000 0.668 738 S N -1.781 113.809 115.700 -0.183 0.000 2.752 738 S HA 0.020 4.486 4.470 -0.006 0.000 0.242 738 S C 0.482 174.992 174.600 -0.150 0.000 0.914 738 S CA -0.008 58.095 58.200 -0.161 0.000 1.427 738 S CB -0.069 62.992 63.200 -0.232 0.000 1.244 738 S HN 0.467 nan 8.310 nan 0.000 0.655 739 D N 1.617 121.847 120.400 -0.284 0.000 2.249 739 D HA 0.317 4.954 4.640 -0.006 0.000 0.269 739 D C 0.598 176.535 176.300 -0.604 0.000 1.220 739 D CA 0.666 54.230 54.000 -0.727 0.000 1.016 739 D CB 0.065 40.328 40.800 -0.895 0.000 1.133 739 D HN 0.383 nan 8.370 nan 0.000 0.533 740 T N -5.353 108.823 114.554 -0.629 0.000 2.754 740 T HA 0.346 4.693 4.350 -0.006 0.000 0.296 740 T C 1.001 175.714 174.700 0.021 0.000 1.205 740 T CA -0.819 61.155 62.100 -0.211 0.000 1.009 740 T CB 0.174 69.051 68.868 0.014 0.000 1.368 740 T HN 0.219 nan 8.240 nan 0.000 0.509 741 F N 1.368 121.363 119.950 0.075 0.000 2.041 741 F HA 0.026 4.549 4.527 -0.007 0.000 0.296 741 F C 2.785 178.641 175.800 0.093 0.000 1.147 741 F CA 2.721 60.748 58.000 0.045 0.000 1.214 741 F CB -1.009 38.011 39.000 0.034 0.000 0.947 741 F HN 1.146 nan 8.300 nan 0.000 0.511 742 G N -0.537 108.521 108.800 0.430 0.000 4.039 742 G HA2 -0.395 3.562 3.960 -0.006 0.000 0.220 742 G HA3 -0.395 3.562 3.960 -0.006 0.000 0.220 742 G C 0.934 175.957 174.900 0.205 0.000 1.391 742 G CA 0.497 45.805 45.100 0.347 0.000 0.920 742 G HN 0.396 nan 8.290 nan 0.000 0.599 743 V N 2.936 122.872 119.914 0.037 0.000 2.288 743 V HA -0.256 3.860 4.120 -0.006 0.000 0.229 743 V C 2.860 178.850 176.094 -0.173 0.000 0.983 743 V CA 3.308 65.570 62.300 -0.063 0.000 1.006 743 V CB -1.077 30.678 31.823 -0.114 0.000 0.660 743 V HN 0.687 nan 8.190 nan 0.000 0.490 744 R N 0.614 120.985 120.500 -0.215 0.000 2.273 744 R HA -0.214 4.122 4.340 -0.006 0.000 0.229 744 R C 1.667 177.832 176.300 -0.224 0.000 1.104 744 R CA 1.819 57.766 56.100 -0.254 0.000 0.870 744 R CB -1.902 28.269 30.300 -0.215 0.000 0.894 744 R HN 0.582 nan 8.270 nan 0.000 0.421 745 S N 1.749 117.360 115.700 -0.147 0.000 2.626 745 S HA 0.090 4.556 4.470 -0.006 0.000 0.303 745 S C 1.164 175.669 174.600 -0.157 0.000 1.256 745 S CA -0.390 57.739 58.200 -0.119 0.000 1.069 745 S CB -0.081 63.086 63.200 -0.055 0.000 0.807 745 S HN 0.278 nan 8.310 nan 0.000 0.500 746 I N 3.169 123.610 120.570 -0.215 0.000 3.545 746 I HA 0.504 4.671 4.170 -0.006 0.000 0.207 746 I C 1.173 177.178 176.117 -0.188 0.000 1.437 746 I CA -1.400 59.674 61.300 -0.377 0.000 0.700 746 I CB -0.388 37.272 38.000 -0.566 0.000 1.832 746 I HN 0.698 nan 8.210 nan 0.000 0.908 747 R N 0.241 120.659 120.500 -0.137 0.000 3.797 747 R HA -0.194 4.143 4.340 -0.006 0.000 0.502 747 R C 0.785 177.114 176.300 0.048 0.000 0.241 747 R CA 1.234 57.349 56.100 0.024 0.000 1.568 747 R CB -1.276 29.028 30.300 0.008 0.000 1.016 747 R HN 0.753 nan 8.270 nan 0.000 0.558 748 D N 0.130 120.570 120.400 0.066 0.000 2.357 748 D HA -0.181 4.456 4.640 -0.006 0.000 0.216 748 D C 1.144 177.461 176.300 0.028 0.000 0.973 748 D CA 1.079 55.110 54.000 0.051 0.000 0.912 748 D CB -0.265 40.575 40.800 0.066 0.000 0.900 748 D HN 0.294 nan 8.370 nan 0.000 0.501 749 N N 0.097 118.814 118.700 0.029 0.000 2.422 749 N HA -0.093 4.643 4.740 -0.006 0.000 0.181 749 N C 1.053 176.578 175.510 0.025 0.000 1.080 749 N CA 0.499 53.588 53.050 0.064 0.000 0.893 749 N CB 0.454 38.993 38.487 0.087 0.000 0.973 749 N HN 0.128 nan 8.380 nan 0.000 0.456 750 N N -0.875 117.787 118.700 -0.064 0.000 2.451 750 N HA -0.109 4.628 4.740 -0.006 0.000 0.308 750 N C 1.183 176.571 175.510 -0.203 0.000 0.699 750 N CA -0.036 52.934 53.050 -0.133 0.000 1.060 750 N CB -0.500 37.955 38.487 -0.053 0.000 1.865 750 N HN 0.102 nan 8.380 nan 0.000 1.333 751 H N 1.625 120.456 119.070 -0.399 0.000 2.312 751 H HA 0.078 4.630 4.556 -0.005 0.000 0.299 751 H C 0.462 175.794 175.328 0.006 0.000 1.051 751 H CA 1.993 57.859 56.048 -0.303 0.000 1.227 751 H CB -0.324 29.155 29.762 -0.472 0.000 1.389 751 H HN 0.303 nan 8.280 nan 0.000 0.524 752 E N 0.482 120.746 120.200 0.107 0.000 2.501 752 E HA -0.104 4.243 4.350 -0.006 0.000 0.203 752 E C 2.016 178.590 176.600 -0.043 0.000 1.072 752 E CA 0.231 56.659 56.400 0.046 0.000 0.885 752 E CB 0.037 29.869 29.700 0.220 0.000 0.813 752 E HN 0.311 nan 8.360 nan 0.000 0.556 753 L N -0.284 120.878 121.223 -0.102 0.000 2.004 753 L HA -0.140 4.197 4.340 -0.006 0.000 0.205 753 L C 1.884 178.631 176.870 -0.205 0.000 1.089 753 L CA 1.451 56.183 54.840 -0.179 0.000 0.756 753 L CB -0.017 41.870 42.059 -0.286 0.000 0.900 753 L HN 0.125 nan 8.230 nan 0.000 0.440 754 M N -0.703 118.762 119.600 -0.226 0.000 2.429 754 M HA 0.209 4.685 4.480 -0.006 0.000 0.265 754 M C 1.965 178.260 176.300 -0.009 0.000 1.120 754 M CA 1.027 56.240 55.300 -0.145 0.000 1.173 754 M CB -1.833 30.645 32.600 -0.204 0.000 1.343 754 M HN 0.336 nan 8.290 nan 0.000 0.464 755 G N -0.122 108.672 108.800 -0.011 0.000 3.024 755 G HA2 0.185 4.142 3.960 -0.006 0.000 0.202 755 G HA3 0.185 4.142 3.960 -0.006 0.000 0.202 755 G C 0.877 175.835 174.900 0.096 0.000 1.195 755 G CA 0.892 46.057 45.100 0.109 0.000 0.924 755 G HN 0.541 nan 8.290 nan 0.000 0.500 756 A N -1.418 121.399 122.820 -0.006 0.000 2.733 756 A HA 0.476 4.793 4.320 -0.006 0.000 0.232 756 A C 1.075 178.629 177.584 -0.050 0.000 1.251 756 A CA 0.806 52.820 52.037 -0.038 0.000 1.015 756 A CB 0.565 19.551 19.000 -0.024 0.000 1.291 756 A HN 0.651 nan 8.150 nan 0.000 0.595 757 V N -3.831 116.064 119.914 -0.031 0.000 3.113 757 V HA 0.124 4.240 4.120 -0.006 0.000 0.252 757 V C 1.593 177.732 176.094 0.074 0.000 1.681 757 V CA 0.622 62.899 62.300 -0.038 0.000 1.042 757 V CB -1.217 30.522 31.823 -0.141 0.000 0.922 757 V HN 0.288 nan 8.190 nan 0.000 0.407 758 Y N 2.421 122.687 120.300 -0.057 0.000 2.465 758 Y HA 0.091 4.641 4.550 0.001 0.000 0.289 758 Y C 1.196 177.115 175.900 0.031 0.000 1.150 758 Y CA 0.564 58.668 58.100 0.008 0.000 1.293 758 Y CB -0.213 38.254 38.460 0.012 0.000 0.977 758 Y HN 0.268 nan 8.280 nan 0.000 0.556 759 L N 2.476 123.806 121.223 0.179 0.000 2.583 759 L HA 0.138 4.474 4.340 -0.006 0.000 0.239 759 L C -0.240 176.692 176.870 0.102 0.000 1.347 759 L CA 0.287 55.167 54.840 0.068 0.000 1.246 759 L CB -0.306 41.702 42.059 -0.085 0.000 1.496 759 L HN 0.122 nan 8.230 nan 0.000 0.413 760 Q N 0.705 120.620 119.800 0.190 0.000 3.480 760 Q HA 0.180 4.517 4.340 -0.006 0.000 0.209 760 Q C -0.200 175.978 176.000 0.297 0.000 0.679 760 Q CA 0.158 56.089 55.803 0.214 0.000 0.958 760 Q CB 0.993 29.814 28.738 0.137 0.000 1.546 760 Q HN 0.301 nan 8.270 nan 0.000 0.372 761 V N -1.286 118.810 119.914 0.303 0.000 4.311 761 V HA 0.017 4.134 4.120 -0.006 0.000 0.154 761 V C 1.306 177.571 176.094 0.284 0.000 1.381 761 V CA 0.837 63.326 62.300 0.315 0.000 1.066 761 V CB 0.654 32.690 31.823 0.355 0.000 1.129 761 V HN 0.294 nan 8.190 nan 0.000 0.612 762 S N 0.046 115.891 115.700 0.241 0.000 2.522 762 S HA 0.065 4.531 4.470 -0.006 0.000 0.227 762 S C 1.647 176.363 174.600 0.193 0.000 0.986 762 S CA 0.729 59.035 58.200 0.176 0.000 0.929 762 S CB -0.104 63.158 63.200 0.103 0.000 0.769 762 S HN 0.353 nan 8.310 nan 0.000 0.529 763 I N 1.330 122.055 120.570 0.259 0.000 2.585 763 I HA 0.238 4.405 4.170 -0.006 0.000 0.254 763 I C 0.702 177.074 176.117 0.425 0.000 1.129 763 I CA 0.810 62.324 61.300 0.357 0.000 1.455 763 I CB -0.253 38.015 38.000 0.446 0.000 1.111 763 I HN 0.218 nan 8.210 nan 0.000 0.433 764 I N 0.524 121.325 120.570 0.386 0.000 3.184 764 I HA 0.012 4.178 4.170 -0.006 0.000 0.311 764 I C 1.494 177.711 176.117 0.166 0.000 1.243 764 I CA 0.099 61.551 61.300 0.254 0.000 1.393 764 I CB -0.183 38.012 38.000 0.326 0.000 1.471 764 I HN 0.006 nan 8.210 nan 0.000 0.540 765 S N 1.416 117.244 115.700 0.213 0.000 2.503 765 S HA -0.076 4.391 4.470 -0.006 0.000 0.215 765 S C 1.978 176.580 174.600 0.004 0.000 1.003 765 S CA 0.344 58.651 58.200 0.178 0.000 0.910 765 S CB 0.205 63.576 63.200 0.286 0.000 0.790 765 S HN 0.714 nan 8.310 nan 0.000 0.514 766 Q N 0.774 120.341 119.800 -0.387 0.000 2.119 766 Q HA 0.051 4.387 4.340 -0.006 0.000 0.201 766 Q C 1.968 177.564 176.000 -0.673 0.000 0.972 766 Q CA 1.508 56.781 55.803 -0.883 0.000 0.847 766 Q CB -0.657 27.274 28.738 -1.345 0.000 0.903 766 Q HN 0.475 nan 8.270 nan 0.000 0.433 767 A N 0.343 122.856 122.820 -0.512 0.000 2.225 767 A HA -0.053 4.263 4.320 -0.006 0.000 0.215 767 A C 1.489 178.878 177.584 -0.326 0.000 1.164 767 A CA 0.902 52.648 52.037 -0.486 0.000 0.710 767 A CB -0.040 18.845 19.000 -0.191 0.000 0.780 767 A HN 0.387 nan 8.150 nan 0.000 0.473 768 L N -2.011 119.080 121.223 -0.219 0.000 2.731 768 L HA 0.375 4.711 4.340 -0.006 0.000 0.240 768 L C 0.528 177.364 176.870 -0.057 0.000 1.120 768 L CA 0.235 55.011 54.840 -0.106 0.000 0.913 768 L CB 0.046 42.033 42.059 -0.120 0.000 1.213 768 L HN 0.210 nan 8.230 nan 0.000 0.515 769 I N -0.356 120.162 120.570 -0.086 0.000 2.781 769 I HA 0.167 4.333 4.170 -0.006 0.000 0.303 769 I C 0.105 176.376 176.117 0.258 0.000 1.161 769 I CA 0.459 61.782 61.300 0.039 0.000 1.341 769 I CB -0.507 37.512 38.000 0.031 0.000 1.585 769 I HN -0.029 nan 8.210 nan 0.000 0.567 770 F N 1.403 121.217 119.950 -0.226 0.000 2.974 770 F HA 0.250 4.774 4.527 -0.004 0.000 0.357 770 F C 0.365 175.925 175.800 -0.400 0.000 1.114 770 F CA -0.433 57.321 58.000 -0.410 0.000 1.099 770 F CB 0.247 38.844 39.000 -0.673 0.000 1.205 770 F HN -0.066 nan 8.300 nan 0.000 0.535 771 V N -0.088 119.825 119.914 -0.003 0.000 2.334 771 V HA 0.426 4.543 4.120 -0.006 0.000 0.267 771 V C 0.784 176.877 176.094 -0.003 0.000 1.040 771 V CA 0.061 62.393 62.300 0.054 0.000 0.866 771 V CB 0.354 32.278 31.823 0.168 0.000 1.019 771 V HN 0.288 nan 8.190 nan 0.000 0.468 772 T N 1.768 116.326 114.554 0.006 0.000 3.086 772 T HA 0.308 4.655 4.350 -0.006 0.000 0.250 772 T C 1.007 175.644 174.700 -0.104 0.000 1.074 772 T CA 0.493 62.571 62.100 -0.038 0.000 0.988 772 T CB -0.062 68.806 68.868 -0.000 0.000 0.988 772 T HN 0.779 nan 8.240 nan 0.000 0.530 773 R N 0.217 120.611 120.500 -0.177 0.000 2.458 773 R HA -0.005 4.331 4.340 -0.006 0.000 0.039 773 R C -0.319 175.922 176.300 -0.098 0.000 0.512 773 R CA 0.548 56.456 56.100 -0.321 0.000 0.900 773 R CB -0.572 29.685 30.300 -0.072 0.000 0.866 773 R HN 0.410 nan 8.270 nan 0.000 0.569 774 S N 0.163 115.944 115.700 0.135 0.000 2.713 774 S HA 0.635 5.102 4.470 -0.006 0.000 0.277 774 S C -0.263 174.651 174.600 0.525 0.000 1.168 774 S CA -0.972 57.454 58.200 0.378 0.000 0.994 774 S CB 1.181 64.725 63.200 0.573 0.000 1.054 774 S HN 0.133 nan 8.310 nan 0.000 0.555 775 R N 0.751 121.511 120.500 0.434 0.000 2.393 775 R HA 0.467 4.803 4.340 -0.006 0.000 0.310 775 R C 0.698 177.246 176.300 0.414 0.000 0.968 775 R CA -0.565 55.729 56.100 0.323 0.000 0.867 775 R CB 0.575 30.974 30.300 0.165 0.000 1.124 775 R HN 0.759 nan 8.270 nan 0.000 0.450 776 S N 1.588 117.465 115.700 0.294 0.000 2.442 776 S HA -0.128 4.339 4.470 -0.006 0.000 0.236 776 S C 1.242 176.071 174.600 0.382 0.000 1.007 776 S CA 0.603 58.950 58.200 0.245 0.000 0.965 776 S CB -0.080 63.212 63.200 0.152 0.000 0.773 776 S HN 0.723 nan 8.310 nan 0.000 0.504 777 W N 3.423 124.835 121.300 0.187 0.000 2.408 777 W HA -0.126 4.529 4.660 -0.008 0.000 0.311 777 W C 2.337 178.947 176.519 0.151 0.000 1.190 777 W CA 1.658 59.084 57.345 0.135 0.000 1.321 777 W CB -1.193 28.283 29.460 0.027 0.000 1.143 777 W HN 0.428 nan 8.180 nan 0.000 0.501 778 S N 0.156 116.293 115.700 0.728 0.000 2.419 778 S HA -0.237 4.229 4.470 -0.006 0.000 0.233 778 S C 1.662 176.457 174.600 0.324 0.000 1.016 778 S CA 0.891 59.396 58.200 0.508 0.000 0.974 778 S CB -1.541 61.860 63.200 0.335 0.000 0.786 778 S HN 0.097 nan 8.310 nan 0.000 0.492 779 F N 3.851 123.925 119.950 0.206 0.000 2.729 779 F HA 0.128 4.654 4.527 -0.001 0.000 0.299 779 F C 0.985 176.853 175.800 0.114 0.000 1.292 779 F CA -0.473 57.625 58.000 0.162 0.000 1.450 779 F CB -1.119 38.011 39.000 0.217 0.000 1.109 779 F HN 0.103 nan 8.300 nan 0.000 0.561 780 V N -1.299 118.731 119.914 0.193 0.000 2.872 780 V HA -0.119 3.997 4.120 -0.006 0.000 0.302 780 V C 1.493 177.632 176.094 0.076 0.000 1.166 780 V CA -0.393 61.958 62.300 0.085 0.000 1.298 780 V CB 0.603 32.442 31.823 0.027 0.000 0.894 780 V HN 0.510 nan 8.190 nan 0.000 0.509 781 E N 1.569 121.804 120.200 0.057 0.000 4.570 781 E HA -0.288 4.059 4.350 -0.006 0.000 0.259 781 E C 1.521 178.177 176.600 0.092 0.000 0.782 781 E CA 2.338 58.770 56.400 0.054 0.000 1.422 781 E CB -0.827 28.890 29.700 0.029 0.000 1.734 781 E HN 0.975 nan 8.360 nan 0.000 0.390 782 R N -0.174 120.413 120.500 0.144 0.000 2.072 782 R HA 0.038 4.374 4.340 -0.006 0.000 0.221 782 R C -1.434 175.055 176.300 0.314 0.000 1.166 782 R CA 0.968 57.204 56.100 0.227 0.000 0.917 782 R CB -1.249 29.207 30.300 0.260 0.000 0.815 782 R HN 0.121 nan 8.270 nan 0.000 0.444 783 P HA -0.036 nan 4.420 nan 0.000 0.258 783 P C -0.021 177.369 177.300 0.150 0.000 1.187 783 P CA 1.244 64.518 63.100 0.290 0.000 0.767 783 P CB 0.572 32.378 31.700 0.176 0.000 0.770 784 G N 2.896 111.766 108.800 0.115 0.000 3.847 784 G HA2 0.044 4.001 3.960 -0.006 0.000 0.189 784 G HA3 0.044 4.001 3.960 -0.006 0.000 0.189 784 G C 0.202 175.139 174.900 0.062 0.000 0.907 784 G CA 0.214 45.355 45.100 0.068 0.000 0.893 784 G HN 0.652 nan 8.290 nan 0.000 0.379 785 A N 2.336 125.205 122.820 0.082 0.000 2.515 785 A HA 0.438 4.754 4.320 -0.006 0.000 0.276 785 A C 1.812 179.428 177.584 0.054 0.000 1.104 785 A CA 0.898 52.974 52.037 0.065 0.000 0.822 785 A CB -0.788 18.257 19.000 0.076 0.000 1.016 785 A HN 1.313 nan 8.150 nan 0.000 0.530 786 L N 0.425 121.673 121.223 0.041 0.000 4.396 786 L HA -0.285 4.051 4.340 -0.006 0.000 0.440 786 L C 1.408 178.302 176.870 0.040 0.000 1.113 786 L CA 1.270 56.132 54.840 0.037 0.000 0.975 786 L CB -1.813 40.266 42.059 0.033 0.000 1.852 786 L HN 0.777 nan 8.230 nan 0.000 1.048 787 L N -1.315 119.932 121.223 0.039 0.000 2.349 787 L HA 0.120 4.456 4.340 -0.006 0.000 0.200 787 L C 2.400 179.293 176.870 0.039 0.000 1.064 787 L CA 1.022 55.878 54.840 0.026 0.000 0.821 787 L CB -0.190 41.869 42.059 0.001 0.000 1.027 787 L HN 0.077 nan 8.230 nan 0.000 0.476 788 M N -0.048 119.571 119.600 0.032 0.000 2.089 788 M HA -0.263 4.214 4.480 -0.006 0.000 0.257 788 M C 2.205 178.540 176.300 0.059 0.000 1.071 788 M CA 1.826 57.146 55.300 0.035 0.000 1.096 788 M CB -0.827 31.783 32.600 0.018 0.000 1.330 788 M HN 0.260 nan 8.290 nan 0.000 0.403 789 I N 0.113 120.714 120.570 0.052 0.000 2.151 789 I HA -0.220 3.946 4.170 -0.006 0.000 0.243 789 I C 2.253 178.418 176.117 0.081 0.000 1.080 789 I CA 1.700 63.033 61.300 0.055 0.000 1.339 789 I CB -2.020 36.007 38.000 0.044 0.000 1.039 789 I HN 0.204 nan 8.210 nan 0.000 0.409 790 A N -1.565 121.324 122.820 0.116 0.000 2.327 790 A HA 0.148 4.464 4.320 -0.006 0.000 0.228 790 A C 0.788 178.586 177.584 0.357 0.000 1.275 790 A CA 0.077 52.219 52.037 0.175 0.000 0.875 790 A CB -0.680 18.418 19.000 0.162 0.000 0.925 790 A HN 0.297 nan 8.150 nan 0.000 0.493 791 F N -0.720 119.240 119.950 0.017 0.000 2.605 791 F HA 0.373 4.885 4.527 -0.026 0.000 0.391 791 F C 0.147 175.968 175.800 0.035 0.000 1.429 791 F CA -0.360 57.658 58.000 0.030 0.000 1.138 791 F CB 1.208 40.219 39.000 0.019 0.000 1.198 791 F HN 0.057 nan 8.300 nan 0.000 0.516 792 L N 0.782 122.042 121.223 0.061 0.000 3.616 792 L HA 0.228 4.565 4.340 -0.006 0.000 0.363 792 L C -0.047 176.843 176.870 0.033 0.000 1.344 792 L CA 0.433 55.298 54.840 0.041 0.000 0.997 792 L CB 0.633 42.709 42.059 0.029 0.000 1.365 792 L HN 0.100 nan 8.230 nan 0.000 0.607 793 I N -0.455 120.111 120.570 -0.008 0.000 4.547 793 I HA 0.244 4.410 4.170 -0.006 0.000 0.303 793 I C 1.918 177.985 176.117 -0.084 0.000 1.188 793 I CA 0.838 62.129 61.300 -0.015 0.000 1.320 793 I CB -0.025 37.980 38.000 0.007 0.000 1.495 793 I HN 0.071 nan 8.210 nan 0.000 0.462 794 A N 0.201 122.892 122.820 -0.214 0.000 2.346 794 A HA 0.149 4.465 4.320 -0.006 0.000 0.242 794 A C 1.475 178.850 177.584 -0.349 0.000 1.323 794 A CA 0.640 52.456 52.037 -0.368 0.000 0.940 794 A CB -0.347 18.215 19.000 -0.729 0.000 0.943 794 A HN 0.361 nan 8.150 nan 0.000 0.501 795 Q N -1.470 118.248 119.800 -0.136 0.000 2.171 795 Q HA 0.339 4.675 4.340 -0.006 0.000 0.250 795 Q C 1.370 177.416 176.000 0.077 0.000 0.791 795 Q CA 0.154 55.981 55.803 0.039 0.000 0.950 795 Q CB 0.147 29.001 28.738 0.193 0.000 1.151 795 Q HN 0.484 nan 8.270 nan 0.000 0.480 796 L N -0.061 121.178 121.223 0.027 0.000 2.046 796 L HA 0.076 4.412 4.340 -0.006 0.000 0.203 796 L C 2.011 178.831 176.870 -0.083 0.000 1.111 796 L CA 1.128 55.970 54.840 0.004 0.000 0.769 796 L CB -0.784 41.300 42.059 0.041 0.000 0.914 796 L HN 0.303 nan 8.230 nan 0.000 0.448 797 I N 0.474 121.002 120.570 -0.070 0.000 2.290 797 I HA -0.327 3.839 4.170 -0.006 0.000 0.253 797 I C 1.914 177.973 176.117 -0.098 0.000 1.112 797 I CA 1.469 62.720 61.300 -0.082 0.000 1.377 797 I CB 0.051 38.013 38.000 -0.064 0.000 1.060 797 I HN 0.307 nan 8.210 nan 0.000 0.428 798 A N -1.357 121.390 122.820 -0.121 0.000 2.327 798 A HA 0.107 4.423 4.320 -0.006 0.000 0.228 798 A C 1.506 178.978 177.584 -0.188 0.000 1.275 798 A CA 0.896 52.856 52.037 -0.127 0.000 0.875 798 A CB -0.327 18.594 19.000 -0.131 0.000 0.925 798 A HN 0.459 nan 8.150 nan 0.000 0.493 799 T N -1.476 112.929 114.554 -0.248 0.000 3.168 799 T HA 0.113 4.459 4.350 -0.006 0.000 0.261 799 T C 1.371 175.859 174.700 -0.355 0.000 0.931 799 T CA 0.004 61.859 62.100 -0.408 0.000 0.949 799 T CB -0.245 68.191 68.868 -0.720 0.000 1.229 799 T HN 0.217 nan 8.240 nan 0.000 0.504 800 L N 1.140 122.212 121.223 -0.253 0.000 2.349 800 L HA 0.116 4.453 4.340 -0.006 0.000 0.220 800 L C 1.943 178.810 176.870 -0.005 0.000 1.130 800 L CA 1.265 56.040 54.840 -0.108 0.000 0.791 800 L CB -0.213 41.803 42.059 -0.071 0.000 0.918 800 L HN 0.299 nan 8.230 nan 0.000 0.444 801 I N -1.583 118.948 120.570 -0.064 0.000 3.616 801 I HA 0.065 4.231 4.170 -0.006 0.000 0.296 801 I C 2.181 178.289 176.117 -0.015 0.000 1.226 801 I CA 0.367 61.664 61.300 -0.006 0.000 1.394 801 I CB 0.220 38.239 38.000 0.033 0.000 1.171 801 I HN 0.057 nan 8.210 nan 0.000 0.442 802 A N 0.731 123.492 122.820 -0.099 0.000 2.255 802 A HA 0.358 4.675 4.320 -0.006 0.000 0.206 802 A C 0.538 178.052 177.584 -0.116 0.000 1.193 802 A CA 1.028 52.991 52.037 -0.124 0.000 0.794 802 A CB -0.875 17.997 19.000 -0.212 0.000 0.794 802 A HN 0.383 nan 8.150 nan 0.000 0.481 803 V N -7.496 112.379 119.914 -0.065 0.000 3.322 803 V HA 0.223 4.339 4.120 -0.006 0.000 0.289 803 V C 0.696 176.863 176.094 0.122 0.000 1.908 803 V CA -0.252 62.051 62.300 0.006 0.000 0.962 803 V CB -0.405 31.396 31.823 -0.037 0.000 1.131 803 V HN 1.226 nan 8.190 nan 0.000 0.480 804 Y N -0.757 119.552 120.300 0.015 0.000 4.461 804 Y HA -0.222 4.323 4.550 -0.008 0.000 0.293 804 Y C 0.116 176.053 175.900 0.062 0.000 0.974 804 Y CA 3.035 61.188 58.100 0.088 0.000 2.253 804 Y CB -1.183 37.386 38.460 0.182 0.000 1.259 804 Y HN 2.692 nan 8.280 nan 0.000 0.513 805 A N -0.047 122.757 122.820 -0.027 0.000 2.467 805 A HA 0.700 5.016 4.320 -0.006 0.000 0.301 805 A C -1.401 176.188 177.584 0.009 0.000 1.126 805 A CA -0.452 51.521 52.037 -0.107 0.000 0.632 805 A CB 0.664 19.607 19.000 -0.096 0.000 1.331 805 A HN 0.906 nan 8.150 nan 0.000 0.482 806 N N -0.945 117.769 118.700 0.024 0.000 5.121 806 N HA 0.046 4.782 4.740 -0.006 0.000 0.158 806 N C -0.522 175.068 175.510 0.134 0.000 1.033 806 N CA -0.166 52.949 53.050 0.108 0.000 1.122 806 N CB 0.131 38.665 38.487 0.078 0.000 1.541 806 N HN 1.064 nan 8.380 nan 0.000 0.993 807 W N 1.219 122.424 121.300 -0.159 0.000 2.996 807 W HA 0.335 4.989 4.660 -0.011 0.000 0.270 807 W C 0.307 176.409 176.519 -0.694 0.000 1.280 807 W CA 0.190 57.347 57.345 -0.313 0.000 1.549 807 W CB -0.770 28.593 29.460 -0.161 0.000 1.079 807 W HN 0.556 nan 8.180 nan 0.000 0.629 808 E N 0.759 120.662 120.200 -0.495 0.000 2.249 808 E HA 0.266 4.613 4.350 -0.006 0.000 0.280 808 E C -0.158 176.085 176.600 -0.595 0.000 1.016 808 E CA -0.548 55.374 56.400 -0.797 0.000 0.830 808 E CB 0.610 29.852 29.700 -0.764 0.000 1.081 808 E HN -0.050 nan 8.360 nan 0.000 0.395 809 F N 2.418 122.289 119.950 -0.132 0.000 2.765 809 F HA 0.296 4.822 4.527 -0.002 0.000 0.302 809 F C 1.560 177.328 175.800 -0.053 0.000 1.111 809 F CA 0.315 58.276 58.000 -0.063 0.000 1.359 809 F CB 0.055 39.019 39.000 -0.060 0.000 1.097 809 F HN 0.513 nan 8.300 nan 0.000 0.577 810 A N 0.998 123.826 122.820 0.014 0.000 2.412 810 A HA 0.368 4.685 4.320 -0.006 0.000 0.253 810 A C 0.696 178.313 177.584 0.056 0.000 1.334 810 A CA 0.094 52.148 52.037 0.029 0.000 0.929 810 A CB -0.914 18.093 19.000 0.011 0.000 0.983 810 A HN 0.447 nan 8.150 nan 0.000 0.508 811 K N -1.866 118.564 120.400 0.049 0.000 3.238 811 K HA 0.573 4.889 4.320 -0.006 0.000 0.324 811 K C -1.510 175.127 176.600 0.062 0.000 1.064 811 K CA -0.802 55.530 56.287 0.075 0.000 0.782 811 K CB 0.395 32.955 32.500 0.100 0.000 1.465 811 K HN 0.183 nan 8.250 nan 0.000 0.412 812 I N 1.173 121.787 120.570 0.073 0.000 2.175 812 I HA 0.001 4.167 4.170 -0.006 0.000 0.206 812 I C -0.560 175.600 176.117 0.071 0.000 1.381 812 I CA -0.562 60.781 61.300 0.072 0.000 1.412 812 I CB 0.883 38.941 38.000 0.096 0.000 1.853 812 I HN 0.760 nan 8.210 nan 0.000 0.368 813 R N 2.256 122.796 120.500 0.067 0.000 3.026 813 R HA 0.474 4.810 4.340 -0.006 0.000 0.284 813 R C 0.222 176.564 176.300 0.070 0.000 1.013 813 R CA 1.261 57.395 56.100 0.057 0.000 1.188 813 R CB 0.360 30.682 30.300 0.037 0.000 1.151 813 R HN 0.588 nan 8.270 nan 0.000 0.514 814 G N 0.239 109.091 108.800 0.086 0.000 2.753 814 G HA2 0.552 4.508 3.960 -0.006 0.000 0.297 814 G HA3 0.552 4.508 3.960 -0.006 0.000 0.297 814 G C -1.395 173.635 174.900 0.216 0.000 1.430 814 G CA -0.354 44.830 45.100 0.140 0.000 1.040 814 G HN 0.582 nan 8.290 nan 0.000 0.530 815 I N -0.326 120.375 120.570 0.218 0.000 6.333 815 I HA -0.143 4.024 4.170 -0.006 0.000 0.126 815 I C 1.006 177.258 176.117 0.225 0.000 1.824 815 I CA 0.367 61.819 61.300 0.254 0.000 2.037 815 I CB -1.645 36.567 38.000 0.353 0.000 3.472 815 I HN 0.984 nan 8.210 nan 0.000 0.169 816 G N 2.346 111.276 108.800 0.216 0.000 2.298 816 G HA2 0.209 4.165 3.960 -0.006 0.000 0.263 816 G HA3 0.209 4.165 3.960 -0.006 0.000 0.263 816 G C 0.681 175.769 174.900 0.312 0.000 1.229 816 G CA 0.673 45.864 45.100 0.150 0.000 0.976 816 G HN 0.774 nan 8.290 nan 0.000 0.459 817 W N -0.076 121.256 121.300 0.053 0.000 1.131 817 W HA -0.267 4.393 4.660 -0.000 0.000 0.231 817 W C 1.758 178.341 176.519 0.108 0.000 0.958 817 W CA 0.980 58.355 57.345 0.050 0.000 0.376 817 W CB -1.509 27.989 29.460 0.063 0.000 1.959 817 W HN 0.800 nan 8.180 nan 0.000 1.226 818 G N -1.894 107.090 108.800 0.308 0.000 2.556 818 G HA2 -0.009 3.948 3.960 -0.006 0.000 0.209 818 G HA3 -0.009 3.948 3.960 -0.006 0.000 0.209 818 G C 1.116 176.112 174.900 0.161 0.000 1.159 818 G CA 0.812 46.077 45.100 0.276 0.000 0.828 818 G HN 0.343 nan 8.290 nan 0.000 0.553 819 W N 0.844 122.192 121.300 0.081 0.000 2.501 819 W HA 0.246 4.905 4.660 -0.001 0.000 0.309 819 W C 2.955 179.432 176.519 -0.070 0.000 1.165 819 W CA 0.777 58.146 57.345 0.039 0.000 1.381 819 W CB 0.339 29.836 29.460 0.062 0.000 1.142 819 W HN 0.232 nan 8.180 nan 0.000 0.509 820 A N 0.607 123.530 122.820 0.171 0.000 1.948 820 A HA -0.185 4.131 4.320 -0.006 0.000 0.220 820 A C 2.035 179.557 177.584 -0.104 0.000 1.177 820 A CA 2.042 54.005 52.037 -0.123 0.000 0.636 820 A CB -1.702 17.051 19.000 -0.411 0.000 0.815 820 A HN 0.415 nan 8.150 nan 0.000 0.449 821 G N -0.721 108.055 108.800 -0.040 0.000 2.545 821 G HA2 -0.219 3.737 3.960 -0.006 0.000 0.222 821 G HA3 -0.219 3.737 3.960 -0.006 0.000 0.222 821 G C 1.427 176.192 174.900 -0.225 0.000 1.126 821 G CA 1.485 46.534 45.100 -0.085 0.000 0.754 821 G HN 0.418 nan 8.290 nan 0.000 0.583 822 V N 0.119 119.919 119.914 -0.190 0.000 2.878 822 V HA 0.052 4.169 4.120 -0.006 0.000 0.250 822 V C 2.508 178.643 176.094 0.068 0.000 1.075 822 V CA 0.552 62.789 62.300 -0.105 0.000 1.096 822 V CB 0.055 31.898 31.823 0.034 0.000 0.724 822 V HN 0.272 nan 8.190 nan 0.000 0.467 823 I N -0.526 120.088 120.570 0.073 0.000 2.226 823 I HA -0.166 4.001 4.170 -0.006 0.000 0.245 823 I C 1.726 177.935 176.117 0.153 0.000 1.100 823 I CA 1.312 62.631 61.300 0.031 0.000 1.374 823 I CB -0.472 37.466 38.000 -0.104 0.000 1.057 823 I HN 0.392 nan 8.210 nan 0.000 0.413 824 W N 0.011 121.291 121.300 -0.034 0.000 3.316 824 W HA 0.014 4.668 4.660 -0.011 0.000 0.258 824 W C 1.694 178.196 176.519 -0.030 0.000 1.330 824 W CA 0.302 57.628 57.345 -0.032 0.000 1.595 824 W CB -0.404 29.039 29.460 -0.029 0.000 1.088 824 W HN 0.126 nan 8.180 nan 0.000 0.734 825 L N -2.025 119.308 121.223 0.183 0.000 2.519 825 L HA -0.050 4.287 4.340 -0.006 0.000 0.194 825 L C 1.636 178.577 176.870 0.118 0.000 1.072 825 L CA 0.667 55.571 54.840 0.107 0.000 0.845 825 L CB -1.097 41.012 42.059 0.084 0.000 1.138 825 L HN -0.184 nan 8.230 nan 0.000 0.487 826 Y N 0.473 120.760 120.300 -0.022 0.000 2.680 826 Y HA -0.088 4.458 4.550 -0.007 0.000 0.303 826 Y C 2.617 178.460 175.900 -0.096 0.000 1.166 826 Y CA 0.763 58.803 58.100 -0.100 0.000 1.344 826 Y CB 0.027 38.356 38.460 -0.219 0.000 1.002 826 Y HN 0.076 nan 8.280 nan 0.000 0.537 827 S N -0.336 115.399 115.700 0.059 0.000 2.326 827 S HA -0.103 4.364 4.470 -0.006 0.000 0.211 827 S C 1.862 176.503 174.600 0.068 0.000 1.031 827 S CA 1.445 59.714 58.200 0.114 0.000 0.985 827 S CB -0.254 63.134 63.200 0.313 0.000 0.961 827 S HN 0.350 nan 8.310 nan 0.000 0.436 828 I N 2.700 123.284 120.570 0.023 0.000 2.394 828 I HA -0.065 4.102 4.170 -0.006 0.000 0.251 828 I C 2.525 178.632 176.117 -0.016 0.000 1.136 828 I CA 0.957 62.247 61.300 -0.016 0.000 1.425 828 I CB -1.855 36.060 38.000 -0.142 0.000 1.079 828 I HN 0.324 nan 8.210 nan 0.000 0.425 829 V N -0.208 119.675 119.914 -0.052 0.000 2.720 829 V HA -0.173 3.944 4.120 -0.006 0.000 0.256 829 V C 2.245 178.355 176.094 0.028 0.000 1.082 829 V CA 2.120 64.386 62.300 -0.056 0.000 1.101 829 V CB -1.852 29.972 31.823 0.003 0.000 0.693 829 V HN 0.546 nan 8.190 nan 0.000 0.479 830 T N -3.613 110.959 114.554 0.029 0.000 3.065 830 T HA 0.017 4.364 4.350 -0.006 0.000 0.252 830 T C 1.666 176.550 174.700 0.308 0.000 1.099 830 T CA 0.890 63.122 62.100 0.220 0.000 1.063 830 T CB -0.621 68.282 68.868 0.060 0.000 0.948 830 T HN 0.671 nan 8.240 nan 0.000 0.506 831 Y N 0.580 120.989 120.300 0.182 0.000 2.395 831 Y HA 0.172 4.718 4.550 -0.007 0.000 0.293 831 Y C 1.308 177.449 175.900 0.401 0.000 1.123 831 Y CA 0.502 58.768 58.100 0.277 0.000 1.227 831 Y CB -0.133 38.500 38.460 0.289 0.000 1.012 831 Y HN 0.149 nan 8.280 nan 0.000 0.552 832 F N 0.717 120.814 119.950 0.245 0.000 2.512 832 F HA 0.179 4.701 4.527 -0.008 0.000 0.296 832 F C -0.990 174.715 175.800 -0.159 0.000 1.110 832 F CA -0.766 57.274 58.000 0.066 0.000 1.446 832 F CB -1.827 37.231 39.000 0.096 0.000 1.092 832 F HN 0.068 nan 8.300 nan 0.000 0.554 833 P HA -0.078 nan 4.420 nan 0.000 0.239 833 P C 1.642 178.741 177.300 -0.334 0.000 1.184 833 P CA 0.874 63.770 63.100 -0.341 0.000 0.760 833 P CB 0.060 31.529 31.700 -0.387 0.000 0.884 834 L N -0.571 120.557 121.223 -0.159 0.000 2.071 834 L HA -0.080 4.256 4.340 -0.006 0.000 0.201 834 L C 1.822 178.628 176.870 -0.106 0.000 1.076 834 L CA 1.884 56.667 54.840 -0.095 0.000 0.755 834 L CB -0.996 40.934 42.059 -0.215 0.000 0.915 834 L HN -0.170 nan 8.230 nan 0.000 0.445 835 D N -1.133 119.110 120.400 -0.262 0.000 2.092 835 D HA -0.216 4.421 4.640 -0.006 0.000 0.193 835 D C 2.238 178.234 176.300 -0.507 0.000 0.994 835 D CA 1.370 55.161 54.000 -0.349 0.000 0.828 835 D CB -0.343 40.157 40.800 -0.501 0.000 0.963 835 D HN 0.064 nan 8.370 nan 0.000 0.450 836 V N -0.268 119.361 119.914 -0.476 0.000 2.867 836 V HA -0.182 3.935 4.120 -0.006 0.000 0.260 836 V C 1.542 177.577 176.094 -0.098 0.000 1.099 836 V CA 1.255 63.303 62.300 -0.420 0.000 1.122 836 V CB -0.395 31.203 31.823 -0.376 0.000 0.708 836 V HN 0.245 nan 8.190 nan 0.000 0.490 837 F N 0.320 120.190 119.950 -0.133 0.000 2.188 837 F HA -0.062 4.460 4.527 -0.008 0.000 0.289 837 F C 2.486 178.300 175.800 0.022 0.000 1.082 837 F CA 0.735 58.700 58.000 -0.057 0.000 1.282 837 F CB -0.107 38.849 39.000 -0.074 0.000 1.060 837 F HN 0.127 nan 8.300 nan 0.000 0.493 838 K N 0.586 121.152 120.400 0.277 0.000 2.034 838 K HA -0.250 4.067 4.320 -0.006 0.000 0.214 838 K C 1.526 178.259 176.600 0.222 0.000 1.051 838 K CA 1.817 58.240 56.287 0.227 0.000 0.931 838 K CB -1.660 30.991 32.500 0.253 0.000 0.715 838 K HN 0.205 nan 8.250 nan 0.000 0.446 839 F N 1.587 121.458 119.950 -0.132 0.000 2.605 839 F HA -0.032 4.490 4.527 -0.008 0.000 0.296 839 F C 2.425 178.078 175.800 -0.246 0.000 1.146 839 F CA 0.393 58.163 58.000 -0.384 0.000 1.478 839 F CB -0.841 37.794 39.000 -0.608 0.000 1.107 839 F HN 0.191 nan 8.300 nan 0.000 0.600 840 A N 0.709 123.609 122.820 0.133 0.000 1.887 840 A HA 0.051 4.367 4.320 -0.006 0.000 0.210 840 A C 2.199 179.817 177.584 0.057 0.000 1.221 840 A CA 0.908 53.010 52.037 0.108 0.000 0.635 840 A CB -0.759 18.338 19.000 0.161 0.000 0.881 840 A HN 0.322 nan 8.150 nan 0.000 0.456 841 I N -2.874 117.708 120.570 0.019 0.000 2.252 841 I HA -0.171 3.996 4.170 -0.006 0.000 0.245 841 I C 2.316 178.440 176.117 0.013 0.000 1.102 841 I CA 1.220 62.514 61.300 -0.009 0.000 1.385 841 I CB -0.599 37.380 38.000 -0.035 0.000 1.064 841 I HN 0.087 nan 8.210 nan 0.000 0.414 842 R N 1.317 121.846 120.500 0.049 0.000 2.075 842 R HA -0.116 4.221 4.340 -0.006 0.000 0.230 842 R C 2.081 178.471 176.300 0.150 0.000 1.140 842 R CA 1.695 57.837 56.100 0.070 0.000 0.928 842 R CB -1.260 29.097 30.300 0.094 0.000 0.834 842 R HN 0.494 nan 8.270 nan 0.000 0.429 843 Y N 0.217 120.485 120.300 -0.053 0.000 2.809 843 Y HA -0.078 4.468 4.550 -0.006 0.000 0.329 843 Y C 0.936 176.817 175.900 -0.031 0.000 1.202 843 Y CA -0.375 57.704 58.100 -0.035 0.000 1.334 843 Y CB 0.084 38.551 38.460 0.012 0.000 1.027 843 Y HN 0.073 nan 8.280 nan 0.000 0.512 844 I N 0.000 120.621 120.570 0.084 0.000 2.984 844 I HA 0.000 4.166 4.170 -0.006 0.000 0.288 844 I CA 0.000 61.310 61.300 0.017 0.000 1.566 844 I CB 0.000 38.017 38.000 0.028 0.000 1.214 844 I HN 0.000 nan 8.210 nan 0.000 0.494