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_B 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 0.000 176.118 176.094 0.041 0.000 1.182 12 V CA 0.000 62.330 62.300 0.051 0.000 1.235 12 V CB 0.000 31.848 31.823 0.042 0.000 1.184 13 D N -0.182 120.244 120.400 0.043 0.000 2.893 13 D HA 0.556 5.195 4.640 -0.001 0.000 0.346 13 D C -0.888 175.434 176.300 0.038 0.000 1.402 13 D CA -0.322 53.699 54.000 0.036 0.000 0.815 13 D CB 1.315 42.134 40.800 0.032 0.000 1.403 13 D HN 0.281 nan 8.370 nan 0.000 0.484 14 L N 0.805 122.049 121.223 0.033 0.000 2.439 14 L HA 0.584 4.923 4.340 -0.001 0.000 0.259 14 L C 0.269 177.160 176.870 0.035 0.000 1.129 14 L CA -0.250 54.610 54.840 0.034 0.000 0.803 14 L CB 0.684 42.761 42.059 0.029 0.000 1.161 14 L HN 0.288 nan 8.230 nan 0.000 0.462 15 E N 1.757 121.981 120.200 0.039 0.000 2.307 15 E HA 0.178 4.528 4.350 -0.001 0.000 0.280 15 E C -1.184 175.444 176.600 0.046 0.000 0.900 15 E CA -0.503 55.922 56.400 0.041 0.000 0.790 15 E CB 1.361 31.088 29.700 0.045 0.000 1.261 15 E HN 0.501 nan 8.360 nan 0.000 0.405 16 K N 2.301 122.726 120.400 0.040 0.000 3.366 16 K HA -0.090 4.229 4.320 -0.001 0.000 0.285 16 K C 0.431 177.048 176.600 0.029 0.000 1.356 16 K CA 0.590 56.900 56.287 0.038 0.000 0.847 16 K CB -2.181 30.346 32.500 0.044 0.000 1.587 16 K HN 0.753 nan 8.250 nan 0.000 0.504 17 I N 1.034 121.620 120.570 0.027 0.000 3.579 17 I HA 0.130 4.299 4.170 -0.001 0.000 0.193 17 I C -1.441 174.689 176.117 0.022 0.000 1.486 17 I CA -1.854 59.460 61.300 0.022 0.000 0.696 17 I CB 0.251 38.264 38.000 0.023 0.000 1.866 17 I HN -0.149 nan 8.210 nan 0.000 0.928 18 P HA 0.017 nan 4.420 nan 0.000 0.264 18 P C 0.461 177.779 177.300 0.030 0.000 1.229 18 P CA 0.143 63.255 63.100 0.022 0.000 0.780 18 P CB 0.190 31.902 31.700 0.019 0.000 0.808 19 I N 2.797 123.384 120.570 0.030 0.000 2.208 19 I HA -0.187 3.983 4.170 -0.001 0.000 0.245 19 I C 1.787 177.928 176.117 0.041 0.000 1.097 19 I CA 1.447 62.767 61.300 0.035 0.000 1.363 19 I CB -1.173 36.848 38.000 0.034 0.000 1.051 19 I HN 0.426 nan 8.210 nan 0.000 0.413 20 E N 1.145 121.370 120.200 0.042 0.000 2.526 20 E HA -0.159 4.191 4.350 -0.001 0.000 0.205 20 E C 0.533 177.175 176.600 0.070 0.000 1.104 20 E CA 0.193 56.623 56.400 0.050 0.000 0.899 20 E CB -0.415 29.311 29.700 0.044 0.000 0.838 20 E HN 0.555 nan 8.360 nan 0.000 0.564 21 E N -0.058 120.183 120.200 0.069 0.000 2.229 21 E HA 0.132 4.481 4.350 -0.001 0.000 0.283 21 E C 0.540 177.207 176.600 0.111 0.000 1.030 21 E CA -0.361 56.099 56.400 0.099 0.000 0.836 21 E CB 1.231 30.977 29.700 0.075 0.000 1.068 21 E HN -0.185 nan 8.360 nan 0.000 0.401 22 V N 4.776 124.803 119.914 0.187 0.000 2.840 22 V HA -0.054 4.066 4.120 -0.001 0.000 0.234 22 V C 1.104 177.250 176.094 0.087 0.000 1.159 22 V CA 0.424 62.783 62.300 0.099 0.000 1.194 22 V CB -0.437 31.397 31.823 0.018 0.000 0.971 22 V HN 0.625 nan 8.190 nan 0.000 0.494 23 F N 2.066 122.016 119.950 0.000 0.000 1.991 23 F HA -0.236 4.291 4.527 -0.001 0.000 0.298 23 F C 2.890 178.690 175.800 -0.001 0.000 1.225 23 F CA 2.035 60.035 58.000 -0.001 0.000 1.187 23 F CB -1.462 37.538 39.000 0.000 0.000 0.954 23 F HN 0.180 nan 8.300 nan 0.000 0.510 24 Q N 0.821 120.762 119.800 0.235 0.000 2.234 24 Q HA -0.264 4.076 4.340 -0.001 0.000 0.206 24 Q C 1.888 177.934 176.000 0.077 0.000 0.980 24 Q CA 1.710 57.583 55.803 0.117 0.000 0.869 24 Q CB -1.047 27.740 28.738 0.081 0.000 0.912 24 Q HN 0.593 nan 8.270 nan 0.000 0.436 25 Q N 0.774 120.622 119.800 0.080 0.000 2.167 25 Q HA 0.118 4.457 4.340 -0.001 0.000 0.202 25 Q C 0.226 176.242 176.000 0.026 0.000 0.970 25 Q CA 0.931 56.763 55.803 0.048 0.000 0.855 25 Q CB 0.358 29.126 28.738 0.050 0.000 0.911 25 Q HN 0.394 nan 8.270 nan 0.000 0.438 26 L N 0.851 122.087 121.223 0.021 0.000 2.673 26 L HA 0.223 4.563 4.340 -0.001 0.000 0.255 26 L C -1.248 175.607 176.870 -0.026 0.000 1.015 26 L CA -0.658 54.177 54.840 -0.008 0.000 0.930 26 L CB 0.811 42.855 42.059 -0.024 0.000 1.185 26 L HN -0.105 nan 8.230 nan 0.000 0.457 27 K N 3.076 123.470 120.400 -0.009 0.000 2.539 27 K HA -0.213 4.107 4.320 -0.001 0.000 0.238 27 K C 0.383 176.933 176.600 -0.084 0.000 1.307 27 K CA 0.899 57.176 56.287 -0.017 0.000 1.275 27 K CB -0.928 31.564 32.500 -0.012 0.000 0.891 27 K HN 0.783 nan 8.250 nan 0.000 0.535 28 C N 2.627 121.825 119.300 -0.170 0.000 0.888 28 C HA -0.224 4.235 4.460 -0.001 0.000 0.510 28 C C -0.042 174.800 174.990 -0.246 0.000 1.142 28 C CA 0.815 59.597 59.018 -0.393 0.000 2.298 28 C CB -1.627 25.814 27.740 -0.498 0.000 3.387 28 C HN 0.664 nan 8.230 nan 0.000 0.232 29 S N 6.262 121.829 115.700 -0.221 0.000 2.548 29 S HA 0.260 4.729 4.470 -0.001 0.000 0.168 29 S C 0.254 174.783 174.600 -0.119 0.000 1.068 29 S CA -0.685 57.431 58.200 -0.141 0.000 1.129 29 S CB 0.613 63.754 63.200 -0.099 0.000 1.435 29 S HN 0.767 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 0.162 4.502 4.340 -0.001 0.000 0.198 30 R C 0.945 177.214 176.300 -0.052 0.000 0.988 30 R CA 0.675 56.724 56.100 -0.085 0.000 1.041 30 R CB -0.207 30.043 30.300 -0.083 0.000 0.926 30 R HN 0.574 nan 8.270 nan 0.000 0.476 31 E N -1.697 118.472 120.200 -0.052 0.000 3.823 31 E HA 0.264 4.613 4.350 -0.001 0.000 0.225 31 E C 0.309 176.887 176.600 -0.036 0.000 1.257 31 E CA 0.598 56.979 56.400 -0.032 0.000 1.684 31 E CB 0.242 29.927 29.700 -0.026 0.000 1.550 31 E HN 0.072 nan 8.360 nan 0.000 0.709 32 G N 2.021 110.793 108.800 -0.047 0.000 2.362 32 G HA2 0.074 4.034 3.960 -0.001 0.000 0.189 32 G HA3 0.074 4.034 3.960 -0.001 0.000 0.189 32 G C -0.786 174.084 174.900 -0.050 0.000 1.374 32 G CA -0.811 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 2.844 124.033 121.223 -0.056 0.000 2.652 33 L HA 0.206 4.545 4.340 -0.001 0.000 0.284 33 L C 1.002 177.840 176.870 -0.053 0.000 1.204 33 L CA 0.460 55.269 54.840 -0.052 0.000 1.105 33 L CB -0.584 41.443 42.059 -0.053 0.000 1.393 33 L HN 0.759 nan 8.230 nan 0.000 0.452 34 T N 0.880 115.406 114.554 -0.048 0.000 1.190 34 T HA -0.170 4.179 4.350 -0.001 0.000 0.698 34 T C 1.343 176.004 174.700 -0.065 0.000 0.975 34 T CA 0.739 62.808 62.100 -0.051 0.000 3.698 34 T CB -0.520 68.318 68.868 -0.050 0.000 2.099 34 T HN 0.807 nan 8.240 nan 0.000 0.381 35 T N 2.095 116.612 114.554 -0.062 0.000 2.869 35 T HA -0.182 4.168 4.350 -0.001 0.000 0.270 35 T C 1.953 176.592 174.700 -0.100 0.000 1.082 35 T CA 1.387 63.443 62.100 -0.075 0.000 1.123 35 T CB -0.012 68.819 68.868 -0.061 0.000 0.856 35 T HN 0.519 nan 8.240 nan 0.000 0.499 36 Q N 0.388 120.133 119.800 -0.092 0.000 2.163 36 Q HA -0.012 4.327 4.340 -0.001 0.000 0.198 36 Q C 2.304 178.224 176.000 -0.134 0.000 0.954 36 Q CA 0.902 56.639 55.803 -0.111 0.000 0.851 36 Q CB -0.005 28.686 28.738 -0.078 0.000 0.928 36 Q HN 0.476 nan 8.270 nan 0.000 0.459 37 E N -0.251 119.886 120.200 -0.105 0.000 2.007 37 E HA -0.134 4.216 4.350 -0.001 0.000 0.194 37 E C 1.865 178.385 176.600 -0.133 0.000 0.999 37 E CA 1.379 57.718 56.400 -0.102 0.000 0.811 37 E CB -0.584 29.073 29.700 -0.073 0.000 0.762 37 E HN 0.474 nan 8.360 nan 0.000 0.450 38 G N 1.295 110.019 108.800 -0.126 0.000 2.485 38 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.221 38 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.221 38 G C 1.467 176.232 174.900 -0.225 0.000 1.115 38 G CA 1.052 46.069 45.100 -0.137 0.000 0.751 38 G HN 0.325 nan 8.290 nan 0.000 0.567 39 E N 0.424 120.443 120.200 -0.302 0.000 2.001 39 E HA -0.158 4.191 4.350 -0.001 0.000 0.195 39 E C 2.028 178.063 176.600 -0.941 0.000 1.002 39 E CA 1.369 57.420 56.400 -0.581 0.000 0.819 39 E CB -0.113 29.296 29.700 -0.485 0.000 0.769 39 E HN 0.257 nan 8.360 nan 0.000 0.454 40 D N -0.272 119.761 120.400 -0.612 0.000 2.123 40 D HA -0.160 4.479 4.640 -0.001 0.000 0.196 40 D C 2.097 178.262 176.300 -0.225 0.000 0.992 40 D CA 0.942 54.693 54.000 -0.416 0.000 0.833 40 D CB -0.022 40.671 40.800 -0.178 0.000 0.954 40 D HN 0.059 nan 8.370 nan 0.000 0.455 41 R N 0.193 120.583 120.500 -0.183 0.000 2.066 41 R HA 0.013 4.352 4.340 -0.001 0.000 0.232 41 R C 0.714 176.984 176.300 -0.051 0.000 1.131 41 R CA 0.327 56.376 56.100 -0.085 0.000 0.955 41 R CB -0.739 29.517 30.300 -0.074 0.000 0.851 41 R HN 0.220 nan 8.270 nan 0.000 0.432 42 I N 3.794 124.308 120.570 -0.093 0.000 2.455 42 I HA -0.055 4.114 4.170 -0.001 0.000 0.303 42 I C 1.351 177.571 176.117 0.171 0.000 1.180 42 I CA 0.230 61.526 61.300 -0.007 0.000 1.469 42 I CB 0.277 38.257 38.000 -0.035 0.000 1.480 42 I HN 0.114 nan 8.210 nan 0.000 0.669 43 Q N 4.061 123.981 119.800 0.200 0.000 2.268 43 Q HA -0.139 4.201 4.340 -0.001 0.000 0.210 43 Q C 0.747 176.925 176.000 0.297 0.000 0.988 43 Q CA 1.069 57.060 55.803 0.314 0.000 0.883 43 Q CB 0.052 28.863 28.738 0.123 0.000 0.911 43 Q HN 0.567 nan 8.270 nan 0.000 0.430 44 I N 1.425 122.104 120.570 0.182 0.000 2.389 44 I HA 0.169 4.339 4.170 -0.001 0.000 0.295 44 I C -0.121 176.131 176.117 0.226 0.000 1.117 44 I CA 0.096 61.427 61.300 0.052 0.000 1.317 44 I CB -1.763 36.180 38.000 -0.095 0.000 1.431 44 I HN -0.067 nan 8.210 nan 0.000 0.521 45 F N 2.850 122.755 119.950 -0.074 0.000 2.728 45 F HA 0.663 5.189 4.527 -0.001 0.000 0.315 45 F C -0.249 175.525 175.800 -0.043 0.000 1.096 45 F CA -1.070 56.896 58.000 -0.056 0.000 0.997 45 F CB 0.261 39.231 39.000 -0.049 0.000 1.252 45 F HN 0.437 nan 8.300 nan 0.000 0.458 46 G N 0.930 109.707 108.800 -0.038 0.000 2.557 46 G HA2 0.645 4.604 3.960 -0.001 0.000 0.302 46 G HA3 0.645 4.604 3.960 -0.001 0.000 0.302 46 G C -2.622 172.297 174.900 0.031 0.000 1.311 46 G CA -2.129 43.031 45.100 0.100 0.000 1.030 46 G HN 0.482 nan 8.290 nan 0.000 0.509 47 P HA 0.033 nan 4.420 nan 0.000 0.269 47 P C 0.325 177.658 177.300 0.055 0.000 1.376 47 P CA -0.178 62.950 63.100 0.046 0.000 0.775 47 P CB -0.151 31.575 31.700 0.043 0.000 1.345 48 N N 0.850 119.563 118.700 0.023 0.000 2.188 48 N HA 0.023 4.762 4.740 -0.001 0.000 0.253 48 N C 0.596 176.109 175.510 0.004 0.000 1.260 48 N CA 0.579 53.631 53.050 0.004 0.000 0.915 48 N CB -0.093 38.378 38.487 -0.027 0.000 0.976 48 N HN -0.103 nan 8.380 nan 0.000 0.424 49 K N 0.840 121.218 120.400 -0.037 0.000 2.138 49 K HA 0.275 4.594 4.320 -0.001 0.000 0.263 49 K C -0.439 176.126 176.600 -0.058 0.000 0.965 49 K CA -0.497 55.755 56.287 -0.060 0.000 0.868 49 K CB 1.039 33.479 32.500 -0.099 0.000 1.083 49 K HN 0.389 nan 8.250 nan 0.000 0.443 50 L N 3.511 124.705 121.223 -0.048 0.000 2.376 50 L HA -0.007 4.332 4.340 -0.001 0.000 0.250 50 L C 0.520 177.340 176.870 -0.082 0.000 1.335 50 L CA 0.816 55.612 54.840 -0.074 0.000 1.214 50 L CB -0.236 41.783 42.059 -0.066 0.000 1.395 50 L HN 0.668 nan 8.230 nan 0.000 0.424 51 E N 0.458 120.606 120.200 -0.088 0.000 2.090 51 E HA -0.060 4.290 4.350 -0.001 0.000 0.208 51 E C 0.050 176.597 176.600 -0.088 0.000 1.032 51 E CA 0.081 56.429 56.400 -0.086 0.000 1.430 51 E CB 0.537 30.187 29.700 -0.084 0.000 3.680 51 E HN 0.471 nan 8.360 nan 0.000 1.007 52 E N 1.276 121.423 120.200 -0.087 0.000 2.883 52 E HA -0.240 4.110 4.350 -0.001 0.000 0.271 52 E C -0.206 176.347 176.600 -0.078 0.000 1.049 52 E CA 1.168 57.517 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 0.327 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 4.076 4.320 -0.001 0.000 0.266 53 K C 0.508 177.061 176.600 -0.077 0.000 1.067 53 K CA 1.291 57.533 56.287 -0.074 0.000 0.780 53 K CB -1.078 31.383 32.500 -0.064 0.000 1.220 53 K HN 0.212 nan 8.250 nan 0.000 0.483 54 K N 2.375 122.725 120.400 -0.083 0.000 3.477 54 K HA -0.060 4.259 4.320 -0.001 0.000 0.279 54 K C 0.517 177.060 176.600 -0.096 0.000 0.686 54 K CA 0.575 56.812 56.287 -0.084 0.000 0.960 54 K CB -0.319 32.130 32.500 -0.086 0.000 1.008 54 K HN 0.200 nan 8.250 nan 0.000 0.368 55 E N -0.810 119.336 120.200 -0.091 0.000 2.718 55 E HA -0.009 4.341 4.350 -0.001 0.000 0.263 55 E C 0.187 176.737 176.600 -0.083 0.000 1.434 55 E CA 0.303 56.641 56.400 -0.102 0.000 1.106 55 E CB 0.517 30.169 29.700 -0.080 0.000 1.029 55 E HN 0.253 nan 8.360 nan 0.000 0.631 56 S N 0.757 116.421 115.700 -0.061 0.000 2.631 56 S HA -0.002 4.467 4.470 -0.001 0.000 0.217 56 S C -0.132 174.475 174.600 0.011 0.000 0.958 56 S CA -0.026 58.178 58.200 0.007 0.000 0.920 56 S CB 0.119 63.406 63.200 0.144 0.000 0.776 56 S HN 0.343 nan 8.310 nan 0.000 0.517 57 K N 0.593 120.983 120.400 -0.017 0.000 2.960 57 K HA -0.209 4.111 4.320 -0.001 0.000 0.259 57 K C 0.112 176.701 176.600 -0.017 0.000 1.025 57 K CA 0.374 56.649 56.287 -0.019 0.000 0.756 57 K CB -2.299 30.191 32.500 -0.016 0.000 1.221 57 K HN 0.600 nan 8.250 nan 0.000 0.483 58 L N -0.356 120.859 121.223 -0.014 0.000 3.746 58 L HA -0.253 4.087 4.340 -0.001 0.000 0.542 58 L C 1.057 177.901 176.870 -0.044 0.000 1.268 58 L CA 0.190 55.005 54.840 -0.041 0.000 0.818 58 L CB -0.547 41.468 42.059 -0.075 0.000 1.472 58 L HN 0.374 nan 8.230 nan 0.000 0.843 59 L N 0.760 121.983 121.223 -0.000 0.000 2.456 59 L HA -0.141 4.199 4.340 -0.001 0.000 0.224 59 L C 1.739 178.567 176.870 -0.069 0.000 1.148 59 L CA 1.202 56.039 54.840 -0.005 0.000 0.825 59 L CB -0.171 41.914 42.059 0.044 0.000 0.937 59 L HN 0.623 nan 8.230 nan 0.000 0.450 60 K N -2.935 117.383 120.400 -0.135 0.000 0.979 60 K HA -0.002 4.318 4.320 -0.001 0.000 0.063 60 K C -0.077 176.269 176.600 -0.423 0.000 2.397 60 K CA -0.065 55.977 56.287 -0.409 0.000 0.955 60 K CB -0.718 31.465 32.500 -0.528 0.000 2.674 60 K HN -0.105 nan 8.250 nan 0.000 0.318 61 F N 2.845 122.689 119.950 -0.176 0.000 2.642 61 F HA -0.036 4.490 4.527 -0.001 0.000 0.371 61 F C 2.053 177.727 175.800 -0.210 0.000 1.120 61 F CA 1.776 59.715 58.000 -0.102 0.000 1.331 61 F CB 0.184 39.155 39.000 -0.048 0.000 1.044 61 F HN 0.180 nan 8.300 nan 0.000 0.594 62 L N 1.790 123.056 121.223 0.072 0.000 5.144 62 L HA -0.301 4.039 4.340 -0.001 0.000 0.440 62 L C 1.480 177.974 176.870 -0.627 0.000 1.049 62 L CA 1.295 55.995 54.840 -0.232 0.000 1.070 62 L CB -1.671 40.286 42.059 -0.169 0.000 1.866 62 L HN 0.854 nan 8.230 nan 0.000 0.743 63 G N -2.227 106.267 108.800 -0.511 0.000 3.496 63 G HA2 0.377 4.337 3.960 -0.001 0.000 0.273 63 G HA3 0.377 4.337 3.960 -0.001 0.000 0.273 63 G C 0.398 174.960 174.900 -0.563 0.000 1.279 63 G CA 0.074 44.880 45.100 -0.490 0.000 1.041 63 G HN 0.291 nan 8.290 nan 0.000 0.539 64 F N -1.263 118.412 119.950 -0.458 0.000 3.087 64 F HA 0.327 4.853 4.527 -0.001 0.000 0.371 64 F C 1.130 176.733 175.800 -0.327 0.000 1.144 64 F CA -1.150 56.612 58.000 -0.398 0.000 1.030 64 F CB -0.048 38.795 39.000 -0.263 0.000 1.366 64 F HN 0.021 nan 8.300 nan 0.000 0.522 65 M N 1.220 120.573 119.600 -0.411 0.000 3.109 65 M HA -0.196 4.284 4.480 -0.001 0.000 0.305 65 M C 0.826 177.387 176.300 0.435 0.000 1.727 65 M CA 0.616 55.877 55.300 -0.064 0.000 1.558 65 M CB -0.592 31.800 32.600 -0.346 0.000 1.757 65 M HN 0.330 nan 8.290 nan 0.000 0.478 66 W N 1.750 123.418 121.300 0.612 0.000 2.658 66 W HA -0.009 4.650 4.660 -0.001 0.000 0.263 66 W C 0.398 177.249 176.519 0.553 0.000 1.274 66 W CA 0.023 57.745 57.345 0.627 0.000 1.343 66 W CB -0.159 29.612 29.460 0.519 0.000 1.106 66 W HN 0.561 nan 8.180 nan 0.000 0.615 67 N N -0.856 118.143 118.700 0.498 0.000 2.470 67 N HA -0.189 4.550 4.740 -0.001 0.000 0.292 67 N C -2.591 172.959 175.510 0.066 0.000 1.531 67 N CA 0.540 53.621 53.050 0.052 0.000 0.780 67 N CB -0.925 37.642 38.487 0.133 0.000 0.975 67 N HN -0.139 nan 8.380 nan 0.000 0.466 68 P HA -0.097 nan 4.420 nan 0.000 0.304 68 P C 0.636 177.983 177.300 0.079 0.000 1.487 68 P CA 0.735 63.867 63.100 0.054 0.000 0.753 68 P CB -0.049 31.575 31.700 -0.128 0.000 1.663 69 L N -2.688 118.603 121.223 0.114 0.000 2.470 69 L HA 0.134 4.473 4.340 -0.001 0.000 0.219 69 L C 1.161 178.106 176.870 0.124 0.000 1.071 69 L CA 0.989 55.883 54.840 0.090 0.000 0.850 69 L CB 0.218 42.329 42.059 0.086 0.000 1.040 69 L HN -0.198 nan 8.230 nan 0.000 0.475 70 S N -1.923 113.900 115.700 0.204 0.000 2.828 70 S HA 0.109 4.578 4.470 -0.001 0.000 0.240 70 S C -0.212 174.530 174.600 0.238 0.000 0.912 70 S CA -0.532 57.778 58.200 0.183 0.000 1.100 70 S CB 0.172 63.481 63.200 0.182 0.000 1.271 70 S HN 0.322 nan 8.310 nan 0.000 0.476 71 W N 0.217 121.534 121.300 0.028 0.000 2.952 71 W HA 0.231 4.890 4.660 -0.001 0.000 0.251 71 W C 1.659 178.144 176.519 -0.056 0.000 1.144 71 W CA 0.313 57.658 57.345 0.000 0.000 1.551 71 W CB -0.153 29.351 29.460 0.074 0.000 0.978 71 W HN 0.170 nan 8.180 nan 0.000 0.648 72 V N 1.200 121.255 119.914 0.234 0.000 2.244 72 V HA -0.272 3.848 4.120 -0.001 0.000 0.244 72 V C 1.774 177.882 176.094 0.024 0.000 1.042 72 V CA 1.711 64.079 62.300 0.114 0.000 1.006 72 V CB -0.815 31.066 31.823 0.096 0.000 0.641 72 V HN 0.014 nan 8.190 nan 0.000 0.446 73 M N 0.740 120.351 119.600 0.019 0.000 2.631 73 M HA 0.145 4.624 4.480 -0.001 0.000 0.241 73 M C 1.487 177.749 176.300 -0.062 0.000 1.255 73 M CA 0.464 55.754 55.300 -0.017 0.000 0.983 73 M CB -0.388 32.212 32.600 -0.001 0.000 1.580 73 M HN 0.664 nan 8.290 nan 0.000 0.464 74 E N 0.440 120.573 120.200 -0.112 0.000 2.364 74 E HA 0.079 4.428 4.350 -0.001 0.000 0.203 74 E C 1.781 178.247 176.600 -0.224 0.000 0.888 74 E CA 0.070 56.331 56.400 -0.232 0.000 0.989 74 E CB 0.221 29.672 29.700 -0.415 0.000 0.985 74 E HN 0.386 nan 8.360 nan 0.000 0.499 75 M N 1.360 120.859 119.600 -0.169 0.000 2.073 75 M HA 0.067 4.547 4.480 -0.001 0.000 0.259 75 M C 2.346 178.596 176.300 -0.084 0.000 1.079 75 M CA 1.691 56.907 55.300 -0.140 0.000 1.131 75 M CB -0.254 32.285 32.600 -0.102 0.000 1.316 75 M HN 0.276 nan 8.290 nan 0.000 0.415 76 A N -0.034 122.753 122.820 -0.055 0.000 2.277 76 A HA 0.143 4.463 4.320 -0.001 0.000 0.208 76 A C 1.926 179.486 177.584 -0.040 0.000 1.202 76 A CA 1.356 53.370 52.037 -0.038 0.000 0.762 76 A CB -0.763 18.222 19.000 -0.024 0.000 0.770 76 A HN 0.558 nan 8.150 nan 0.000 0.487 77 A N -0.518 122.267 122.820 -0.059 0.000 2.014 77 A HA 0.228 4.547 4.320 -0.001 0.000 0.210 77 A C 1.649 179.207 177.584 -0.043 0.000 1.188 77 A CA 0.601 52.602 52.037 -0.059 0.000 0.731 77 A CB -0.118 18.827 19.000 -0.092 0.000 0.858 77 A HN 0.357 nan 8.150 nan 0.000 0.464 78 I N -0.221 120.331 120.570 -0.030 0.000 2.676 78 I HA -0.093 4.077 4.170 -0.001 0.000 0.259 78 I C 1.392 177.532 176.117 0.037 0.000 1.194 78 I CA 1.031 62.371 61.300 0.067 0.000 1.473 78 I CB -1.135 36.943 38.000 0.129 0.000 1.096 78 I HN 0.212 nan 8.210 nan 0.000 0.443 79 M N 0.627 120.225 119.600 -0.004 0.000 2.748 79 M HA 0.009 4.488 4.480 -0.001 0.000 0.241 79 M C 2.029 178.319 176.300 -0.017 0.000 1.080 79 M CA 0.347 55.638 55.300 -0.015 0.000 1.068 79 M CB -1.294 31.293 32.600 -0.022 0.000 1.536 79 M HN 0.194 nan 8.290 nan 0.000 0.540 80 A N -0.075 122.739 122.820 -0.011 0.000 1.874 80 A HA 0.051 4.370 4.320 -0.001 0.000 0.214 80 A C 1.572 179.133 177.584 -0.038 0.000 1.189 80 A CA 0.851 52.880 52.037 -0.014 0.000 0.615 80 A CB -0.107 18.889 19.000 -0.006 0.000 0.830 80 A HN 0.344 nan 8.150 nan 0.000 0.443 81 I N -0.140 120.390 120.570 -0.067 0.000 3.832 81 I HA 0.233 4.403 4.170 -0.001 0.000 0.324 81 I C 1.043 177.081 176.117 -0.133 0.000 1.447 81 I CA 0.825 62.030 61.300 -0.157 0.000 1.242 81 I CB -0.739 37.062 38.000 -0.332 0.000 1.212 81 I HN 0.350 nan 8.210 nan 0.000 0.415 82 A N 0.631 123.411 122.820 -0.066 0.000 2.674 82 A HA 0.501 4.820 4.320 -0.001 0.000 0.274 82 A C 0.740 178.324 177.584 -0.001 0.000 1.065 82 A CA -0.006 52.007 52.037 -0.041 0.000 0.978 82 A CB 0.358 19.336 19.000 -0.036 0.000 1.242 82 A HN 0.334 nan 8.150 nan 0.000 0.583 83 L N -1.543 119.685 121.223 0.008 0.000 3.695 83 L HA 0.499 4.839 4.340 -0.001 0.000 0.349 83 L C 0.453 177.370 176.870 0.079 0.000 1.304 83 L CA 0.693 55.564 54.840 0.051 0.000 1.078 83 L CB 1.279 43.338 42.059 0.001 0.000 1.440 83 L HN 0.402 nan 8.230 nan 0.000 0.620 84 A N 0.772 123.618 122.820 0.044 0.000 2.204 84 A HA 0.109 4.428 4.320 -0.001 0.000 0.226 84 A C -0.722 176.856 177.584 -0.011 0.000 2.847 84 A CA -0.581 51.479 52.037 0.040 0.000 1.847 84 A CB -0.796 18.230 19.000 0.043 0.000 0.273 84 A HN 0.238 nan 8.150 nan 0.000 0.765 85 N N 0.996 119.674 118.700 -0.037 0.000 2.437 85 N HA 0.431 5.171 4.740 -0.001 0.000 0.243 85 N C 0.406 175.881 175.510 -0.060 0.000 1.041 85 N CA 0.157 53.158 53.050 -0.081 0.000 0.940 85 N CB 1.127 39.527 38.487 -0.144 0.000 1.133 85 N HN 0.480 nan 8.380 nan 0.000 0.506 86 G N 1.746 110.516 108.800 -0.050 0.000 2.469 86 G HA2 -0.025 3.934 3.960 -0.001 0.000 0.293 86 G HA3 -0.025 3.934 3.960 -0.001 0.000 0.293 86 G C -0.248 174.634 174.900 -0.029 0.000 0.982 86 G CA -0.327 44.752 45.100 -0.035 0.000 1.401 86 G HN 0.722 nan 8.290 nan 0.000 0.453 87 D N 1.739 122.124 120.400 -0.025 0.000 2.255 87 D HA 0.428 5.067 4.640 -0.001 0.000 0.249 87 D C 1.254 177.557 176.300 0.005 0.000 1.078 87 D CA 0.755 54.750 54.000 -0.009 0.000 0.896 87 D CB 1.373 42.164 40.800 -0.014 0.000 1.194 87 D HN 0.605 nan 8.370 nan 0.000 0.429 88 G N 3.323 112.137 108.800 0.024 0.000 2.195 88 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.246 88 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.246 88 G C 0.365 175.274 174.900 0.016 0.000 0.984 88 G CA -0.188 44.923 45.100 0.019 0.000 0.633 88 G HN 0.535 nan 8.290 nan 0.000 0.525 89 R N -0.005 120.507 120.500 0.018 0.000 2.664 89 R HA 0.540 4.880 4.340 -0.001 0.000 0.286 89 R C -2.327 173.991 176.300 0.030 0.000 0.967 89 R CA -1.742 54.365 56.100 0.011 0.000 0.933 89 R CB 1.267 31.565 30.300 -0.003 0.000 1.146 89 R HN 0.017 nan 8.270 nan 0.000 0.468 90 P HA 0.223 nan 4.420 nan 0.000 0.249 90 P C -1.805 175.512 177.300 0.028 0.000 1.583 90 P CA -0.778 62.338 63.100 0.027 0.000 0.988 90 P CB -0.101 31.598 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 0.092 0.000 1.235 91 P CA 1.012 64.139 63.100 0.045 0.000 0.726 91 P CB 0.033 31.756 31.700 0.037 0.000 0.664 92 D N -1.814 118.642 120.400 0.093 0.000 2.542 92 D HA 0.048 4.687 4.640 -0.001 0.000 0.252 92 D C 0.342 176.730 176.300 0.146 0.000 1.222 92 D CA -0.477 53.583 54.000 0.099 0.000 0.895 92 D CB 0.188 40.983 40.800 -0.008 0.000 1.207 92 D HN 0.346 nan 8.370 nan 0.000 0.558 93 W N 3.228 124.539 121.300 0.018 0.000 2.321 93 W HA -0.204 4.455 4.660 -0.001 0.000 0.285 93 W C 1.086 177.660 176.519 0.092 0.000 1.213 93 W CA 1.284 58.660 57.345 0.052 0.000 1.205 93 W CB 0.206 29.701 29.460 0.059 0.000 1.134 93 W HN 0.537 nan 8.180 nan 0.000 0.549 94 Q N -0.053 119.893 119.800 0.244 0.000 2.442 94 Q HA -0.186 4.153 4.340 -0.001 0.000 0.185 94 Q C 0.639 176.742 176.000 0.172 0.000 0.869 94 Q CA 1.112 57.037 55.803 0.203 0.000 1.064 94 Q CB -0.401 28.416 28.738 0.131 0.000 1.087 94 Q HN 0.100 nan 8.270 nan 0.000 0.532 95 D N -0.277 120.178 120.400 0.093 0.000 2.431 95 D HA -0.002 4.637 4.640 -0.001 0.000 0.227 95 D C 1.049 177.370 176.300 0.036 0.000 1.030 95 D CA -0.052 53.984 54.000 0.061 0.000 0.897 95 D CB 0.034 40.849 40.800 0.024 0.000 1.058 95 D HN 0.394 nan 8.370 nan 0.000 0.500 96 F N 1.491 121.376 119.950 -0.108 0.000 2.128 96 F HA -0.095 4.432 4.527 -0.001 0.000 0.295 96 F C 1.835 177.641 175.800 0.011 0.000 1.100 96 F CA 1.529 59.478 58.000 -0.085 0.000 1.260 96 F CB -0.525 38.387 39.000 -0.145 0.000 1.009 96 F HN -0.126 nan 8.300 nan 0.000 0.476 97 V N -0.121 119.738 119.914 -0.091 0.000 3.444 97 V HA 0.199 4.319 4.120 -0.001 0.000 0.271 97 V C 2.117 178.150 176.094 -0.102 0.000 1.188 97 V CA 1.266 63.452 62.300 -0.190 0.000 1.168 97 V CB -1.393 30.551 31.823 0.202 0.000 0.810 97 V HN 0.428 nan 8.190 nan 0.000 0.500 98 G N 0.835 109.603 108.800 -0.054 0.000 2.408 98 G HA2 -0.092 3.867 3.960 -0.001 0.000 0.217 98 G HA3 -0.092 3.867 3.960 -0.001 0.000 0.217 98 G C 1.360 176.184 174.900 -0.125 0.000 1.150 98 G CA 1.334 46.412 45.100 -0.036 0.000 0.776 98 G HN 0.500 nan 8.290 nan 0.000 0.542 99 I N 0.077 120.530 120.570 -0.196 0.000 2.628 99 I HA 0.174 4.343 4.170 -0.001 0.000 0.255 99 I C 2.414 178.370 176.117 -0.268 0.000 1.119 99 I CA 0.160 61.330 61.300 -0.216 0.000 1.448 99 I CB -0.828 37.043 38.000 -0.215 0.000 1.133 99 I HN 0.059 nan 8.210 nan 0.000 0.438 100 I N 0.870 121.184 120.570 -0.426 0.000 2.454 100 I HA -0.258 3.912 4.170 -0.001 0.000 0.254 100 I C 2.649 178.680 176.117 -0.144 0.000 1.156 100 I CA 1.162 62.243 61.300 -0.365 0.000 1.433 100 I CB -0.331 37.331 38.000 -0.564 0.000 1.082 100 I HN 0.238 nan 8.210 nan 0.000 0.432 101 C N -0.284 118.942 119.300 -0.124 0.000 2.489 101 C HA -0.099 4.360 4.460 -0.001 0.000 0.279 101 C C 2.823 177.807 174.990 -0.011 0.000 1.266 101 C CA 0.923 59.921 59.018 -0.033 0.000 1.707 101 C CB -1.284 26.441 27.740 -0.025 0.000 2.059 101 C HN 0.636 nan 8.230 nan 0.000 0.481 102 L N 0.910 122.106 121.223 -0.045 0.000 2.137 102 L HA -0.109 4.230 4.340 -0.001 0.000 0.213 102 L C 1.396 178.295 176.870 0.048 0.000 1.085 102 L CA 2.158 56.987 54.840 -0.019 0.000 0.760 102 L CB -0.497 41.530 42.059 -0.054 0.000 0.893 102 L HN 0.390 nan 8.230 nan 0.000 0.434 103 L N -0.761 120.511 121.223 0.081 0.000 2.848 103 L HA 0.172 4.512 4.340 -0.001 0.000 0.240 103 L C 0.603 177.714 176.870 0.402 0.000 1.232 103 L CA -0.472 54.548 54.840 0.301 0.000 1.031 103 L CB 0.318 42.506 42.059 0.215 0.000 1.338 103 L HN 0.023 nan 8.230 nan 0.000 0.509 104 V N -0.520 119.515 119.914 0.202 0.000 3.337 104 V HA 0.157 4.277 4.120 -0.001 0.000 0.307 104 V C 1.425 177.566 176.094 0.078 0.000 1.505 104 V CA 0.157 62.555 62.300 0.164 0.000 1.072 104 V CB 1.068 32.982 31.823 0.151 0.000 0.929 104 V HN 0.294 nan 8.190 nan 0.000 0.455 105 I N -0.336 120.270 120.570 0.060 0.000 3.526 105 I HA 0.138 4.308 4.170 -0.001 0.000 0.294 105 I C 1.746 177.845 176.117 -0.029 0.000 1.229 105 I CA 0.918 62.230 61.300 0.020 0.000 1.408 105 I CB -0.602 37.415 38.000 0.029 0.000 1.127 105 I HN 0.340 nan 8.210 nan 0.000 0.439 106 N N 0.629 119.314 118.700 -0.024 0.000 2.416 106 N HA -0.087 4.653 4.740 -0.001 0.000 0.177 106 N C 1.474 176.704 175.510 -0.467 0.000 1.036 106 N CA 0.453 53.410 53.050 -0.155 0.000 0.901 106 N CB 0.241 38.717 38.487 -0.019 0.000 0.976 106 N HN 0.070 nan 8.380 nan 0.000 0.444 107 S N -0.158 115.355 115.700 -0.311 0.000 2.840 107 S HA 0.125 4.595 4.470 -0.001 0.000 0.235 107 S C 0.672 175.152 174.600 -0.199 0.000 0.968 107 S CA 0.132 58.115 58.200 -0.360 0.000 1.026 107 S CB -0.053 63.105 63.200 -0.069 0.000 0.788 107 S HN 0.141 nan 8.310 nan 0.000 0.487 108 T N 0.755 115.179 114.554 -0.216 0.000 3.277 108 T HA 0.309 4.658 4.350 -0.001 0.000 0.136 108 T C 0.941 175.576 174.700 -0.108 0.000 0.874 108 T CA -0.276 61.763 62.100 -0.102 0.000 0.823 108 T CB -0.298 68.545 68.868 -0.041 0.000 1.493 108 T HN 0.166 nan 8.240 nan 0.000 0.296 109 I N 2.605 123.127 120.570 -0.080 0.000 3.233 109 I HA 0.003 4.172 4.170 -0.001 0.000 0.287 109 I C 1.725 177.790 176.117 -0.087 0.000 1.329 109 I CA 0.974 62.242 61.300 -0.055 0.000 1.385 109 I CB -1.482 36.505 38.000 -0.021 0.000 1.053 109 I HN 0.232 nan 8.210 nan 0.000 0.525 110 S N 0.607 116.192 115.700 -0.192 0.000 3.037 110 S HA 0.112 4.581 4.470 -0.001 0.000 0.173 110 S C 1.169 175.716 174.600 -0.087 0.000 0.681 110 S CA -0.161 57.901 58.200 -0.232 0.000 0.807 110 S CB -0.083 62.792 63.200 -0.540 0.000 0.789 110 S HN 0.161 nan 8.310 nan 0.000 0.637 111 F N 2.164 122.090 119.950 -0.039 0.000 2.729 111 F HA 0.287 4.813 4.527 -0.001 0.000 0.299 111 F C 1.400 177.171 175.800 -0.048 0.000 1.292 111 F CA -0.318 57.648 58.000 -0.056 0.000 1.450 111 F CB -0.720 38.217 39.000 -0.104 0.000 1.109 111 F HN 0.184 nan 8.300 nan 0.000 0.561 112 I N -0.177 120.431 120.570 0.064 0.000 3.616 112 I HA 0.044 4.214 4.170 -0.001 0.000 0.296 112 I C 1.192 177.331 176.117 0.037 0.000 1.226 112 I CA 0.593 61.914 61.300 0.035 0.000 1.394 112 I CB -0.210 37.793 38.000 0.004 0.000 1.171 112 I HN -0.032 nan 8.210 nan 0.000 0.442 113 E N 1.497 121.719 120.200 0.037 0.000 2.651 113 E HA -0.047 4.303 4.350 -0.001 0.000 0.236 113 E C 0.952 177.582 176.600 0.050 0.000 1.422 113 E CA 0.380 56.802 56.400 0.037 0.000 1.534 113 E CB -0.131 29.585 29.700 0.028 0.000 1.381 113 E HN 0.374 nan 8.360 nan 0.000 0.435 114 E N -1.268 118.962 120.200 0.050 0.000 2.617 114 E HA 0.042 4.392 4.350 -0.001 0.000 0.208 114 E C 0.849 177.464 176.600 0.026 0.000 0.888 114 E CA -0.024 56.401 56.400 0.041 0.000 1.485 114 E CB 0.235 29.967 29.700 0.052 0.000 1.482 114 E HN 0.092 nan 8.360 nan 0.000 0.813 115 N N 1.184 119.900 118.700 0.027 0.000 2.392 115 N HA 0.016 4.755 4.740 -0.001 0.000 0.177 115 N C 1.201 176.726 175.510 0.024 0.000 1.066 115 N CA 0.704 53.765 53.050 0.020 0.000 0.895 115 N CB 0.150 38.647 38.487 0.017 0.000 0.988 115 N HN 0.092 nan 8.380 nan 0.000 0.457 116 N N -1.092 117.625 118.700 0.029 0.000 2.388 116 N HA 0.175 4.914 4.740 -0.001 0.000 0.176 116 N C 1.231 176.764 175.510 0.038 0.000 1.062 116 N CA 0.515 53.585 53.050 0.034 0.000 0.895 116 N CB 0.246 38.752 38.487 0.030 0.000 1.018 116 N HN 0.155 nan 8.380 nan 0.000 0.456 117 A N 0.109 122.948 122.820 0.030 0.000 1.896 117 A HA 0.254 4.574 4.320 -0.001 0.000 0.213 117 A C 2.165 179.750 177.584 0.003 0.000 1.306 117 A CA 0.979 53.030 52.037 0.022 0.000 0.626 117 A CB -1.385 17.630 19.000 0.025 0.000 0.994 117 A HN 0.313 nan 8.150 nan 0.000 0.475 118 G N 0.495 109.295 108.800 -0.000 0.000 2.581 118 G HA2 -0.347 3.612 3.960 -0.001 0.000 0.223 118 G HA3 -0.347 3.612 3.960 -0.001 0.000 0.223 118 G C 1.238 176.127 174.900 -0.018 0.000 1.094 118 G CA 1.418 46.509 45.100 -0.014 0.000 0.736 118 G HN 0.481 nan 8.290 nan 0.000 0.588 119 N N 1.031 119.733 118.700 0.002 0.000 2.192 119 N HA -0.113 4.626 4.740 -0.001 0.000 0.188 119 N C 2.415 177.923 175.510 -0.003 0.000 1.013 119 N CA 1.336 54.398 53.050 0.020 0.000 0.863 119 N CB -0.406 38.114 38.487 0.055 0.000 0.990 119 N HN 0.389 nan 8.380 nan 0.000 0.430 120 A N 0.631 123.399 122.820 -0.087 0.000 1.929 120 A HA 0.176 4.495 4.320 -0.001 0.000 0.216 120 A C 2.204 179.652 177.584 -0.227 0.000 1.176 120 A CA 1.335 53.157 52.037 -0.358 0.000 0.628 120 A CB -0.677 17.999 19.000 -0.540 0.000 0.816 120 A HN 0.259 nan 8.150 nan 0.000 0.444 121 A N -0.190 122.557 122.820 -0.122 0.000 2.245 121 A HA 0.186 4.505 4.320 -0.001 0.000 0.217 121 A C 2.105 179.654 177.584 -0.058 0.000 1.171 121 A CA 1.775 53.766 52.037 -0.078 0.000 0.688 121 A CB -0.755 18.216 19.000 -0.048 0.000 0.781 121 A HN 0.854 nan 8.150 nan 0.000 0.479 122 A N 0.051 122.840 122.820 -0.052 0.000 1.861 122 A HA 0.300 4.619 4.320 -0.001 0.000 0.214 122 A C 2.506 180.077 177.584 -0.021 0.000 1.322 122 A CA 1.588 53.610 52.037 -0.024 0.000 0.601 122 A CB -1.498 17.502 19.000 -0.001 0.000 0.966 122 A HN 1.204 nan 8.150 nan 0.000 0.471 123 A N -0.620 122.196 122.820 -0.007 0.000 1.940 123 A HA -0.160 4.160 4.320 -0.001 0.000 0.221 123 A C 2.136 179.713 177.584 -0.012 0.000 1.190 123 A CA 1.987 54.029 52.037 0.007 0.000 0.647 123 A CB -0.808 18.222 19.000 0.049 0.000 0.821 123 A HN 0.497 nan 8.150 nan 0.000 0.457 124 L N -2.401 118.796 121.223 -0.043 0.000 1.972 124 L HA -0.034 4.305 4.340 -0.001 0.000 0.209 124 L C 2.436 179.287 176.870 -0.031 0.000 1.125 124 L CA 1.249 56.063 54.840 -0.042 0.000 0.784 124 L CB -0.857 41.158 42.059 -0.074 0.000 0.902 124 L HN 0.301 nan 8.230 nan 0.000 0.444 125 M N -0.017 119.560 119.600 -0.038 0.000 2.771 125 M HA -0.114 4.365 4.480 -0.001 0.000 0.246 125 M C 1.379 177.665 176.300 -0.024 0.000 1.054 125 M CA 0.994 56.277 55.300 -0.028 0.000 1.068 125 M CB -0.369 32.213 32.600 -0.031 0.000 1.452 125 M HN 0.375 nan 8.290 nan 0.000 0.549 126 A N -1.392 121.416 122.820 -0.021 0.000 2.287 126 A HA 0.462 4.782 4.320 -0.001 0.000 0.214 126 A C 1.807 179.384 177.584 -0.012 0.000 1.228 126 A CA 0.259 52.287 52.037 -0.016 0.000 0.939 126 A CB -0.225 18.767 19.000 -0.014 0.000 0.992 126 A HN 0.412 nan 8.150 nan 0.000 0.502 127 G N 0.259 109.052 108.800 -0.011 0.000 3.424 127 G HA2 0.402 4.362 3.960 -0.001 0.000 0.263 127 G HA3 0.402 4.362 3.960 -0.001 0.000 0.263 127 G C 0.676 175.571 174.900 -0.009 0.000 1.310 127 G CA 0.788 45.883 45.100 -0.009 0.000 1.089 127 G HN 0.670 nan 8.290 nan 0.000 0.534 128 L N -3.875 117.342 121.223 -0.009 0.000 3.617 128 L HA 0.545 4.885 4.340 -0.001 0.000 0.336 128 L C 1.225 178.092 176.870 -0.005 0.000 1.141 128 L CA -0.357 54.479 54.840 -0.007 0.000 1.225 128 L CB -0.178 41.878 42.059 -0.005 0.000 1.725 128 L HN -0.067 nan 8.230 nan 0.000 0.621 129 A N 2.574 125.390 122.820 -0.007 0.000 2.515 129 A HA 0.223 4.542 4.320 -0.001 0.000 0.276 129 A C -1.516 176.069 177.584 0.001 0.000 1.104 129 A CA -0.523 51.512 52.037 -0.003 0.000 0.822 129 A CB -1.076 17.921 19.000 -0.005 0.000 1.016 129 A HN 0.244 nan 8.150 nan 0.000 0.530 130 P HA -0.201 nan 4.420 nan 0.000 0.050 130 P C -0.201 177.099 177.300 0.001 0.000 0.808 130 P CA 0.975 64.083 63.100 0.013 0.000 1.000 130 P CB -1.032 30.691 31.700 0.037 0.000 1.827 131 K N -1.000 119.393 120.400 -0.012 0.000 2.604 131 K HA -0.093 4.226 4.320 -0.001 0.000 0.278 131 K C 1.479 178.056 176.600 -0.038 0.000 0.975 131 K CA 0.729 56.999 56.287 -0.028 0.000 1.066 131 K CB -0.127 32.350 32.500 -0.038 0.000 0.840 131 K HN 0.160 nan 8.250 nan 0.000 0.491 132 T N 2.328 116.853 114.554 -0.049 0.000 2.983 132 T HA -0.017 4.332 4.350 -0.001 0.000 0.250 132 T C -0.339 174.300 174.700 -0.101 0.000 1.037 132 T CA 0.190 62.255 62.100 -0.058 0.000 1.142 132 T CB -0.017 68.822 68.868 -0.048 0.000 0.876 132 T HN 0.670 nan 8.240 nan 0.000 0.455 133 K N 1.130 121.448 120.400 -0.138 0.000 3.241 133 K HA -0.101 4.219 4.320 -0.001 0.000 0.270 133 K C -0.017 176.430 176.600 -0.256 0.000 1.118 133 K CA -0.071 56.074 56.287 -0.237 0.000 0.792 133 K CB -2.498 29.835 32.500 -0.277 0.000 1.283 133 K HN 0.435 nan 8.250 nan 0.000 0.480 134 V N -2.164 117.648 119.914 -0.171 0.000 3.441 134 V HA 0.217 4.337 4.120 -0.001 0.000 0.300 134 V C 1.367 177.386 176.094 -0.126 0.000 1.091 134 V CA -0.406 61.824 62.300 -0.117 0.000 1.099 134 V CB 0.828 32.609 31.823 -0.071 0.000 1.138 134 V HN 0.368 nan 8.190 nan 0.000 0.471 135 L N 1.419 122.625 121.223 -0.028 0.000 2.660 135 L HA 0.215 4.554 4.340 -0.001 0.000 0.238 135 L C 2.130 179.013 176.870 0.021 0.000 1.161 135 L CA 1.245 56.115 54.840 0.049 0.000 0.937 135 L CB -0.973 41.161 42.059 0.125 0.000 1.122 135 L HN 1.052 nan 8.230 nan 0.000 0.435 136 R N 0.533 121.018 120.500 -0.025 0.000 2.596 136 R HA -0.443 3.897 4.340 -0.001 0.000 0.204 136 R C 1.165 177.454 176.300 -0.018 0.000 0.897 136 R CA 2.640 58.724 56.100 -0.027 0.000 1.038 136 R CB -0.849 29.436 30.300 -0.026 0.000 0.574 136 R HN 0.497 nan 8.270 nan 0.000 0.452 137 D N -4.834 115.564 120.400 -0.003 0.000 1.730 137 D HA -0.031 4.608 4.640 -0.001 0.000 0.835 137 D C 0.898 177.200 176.300 0.003 0.000 0.331 137 D CA 1.486 55.482 54.000 -0.007 0.000 1.259 137 D CB -1.242 39.545 40.800 -0.022 0.000 1.581 137 D HN 0.443 nan 8.370 nan 0.000 0.348 138 G N -0.418 108.385 108.800 0.005 0.000 2.490 138 G HA2 0.241 4.200 3.960 -0.001 0.000 0.211 138 G HA3 0.241 4.200 3.960 -0.001 0.000 0.211 138 G C 0.481 175.400 174.900 0.032 0.000 1.159 138 G CA 0.476 45.583 45.100 0.012 0.000 0.819 138 G HN 0.112 nan 8.290 nan 0.000 0.539 139 K N -1.247 119.178 120.400 0.042 0.000 2.535 139 K HA 0.146 4.466 4.320 -0.001 0.000 0.251 139 K C -0.523 176.149 176.600 0.119 0.000 0.942 139 K CA -1.151 55.188 56.287 0.086 0.000 0.798 139 K CB 1.799 34.341 32.500 0.070 0.000 1.267 139 K HN 0.102 nan 8.250 nan 0.000 0.434 140 W N 3.633 124.919 121.300 -0.023 0.000 2.303 140 W HA -0.183 4.477 4.660 -0.001 0.000 0.287 140 W C 0.253 176.759 176.519 -0.022 0.000 1.213 140 W CA 1.420 58.750 57.345 -0.025 0.000 1.203 140 W CB 0.028 29.471 29.460 -0.028 0.000 1.136 140 W HN 0.467 nan 8.180 nan 0.000 0.547 141 S N 1.012 116.674 115.700 -0.064 0.000 2.542 141 S HA -0.138 4.331 4.470 -0.001 0.000 0.287 141 S C 0.575 174.976 174.600 -0.333 0.000 1.315 141 S CA 0.345 58.400 58.200 -0.241 0.000 1.037 141 S CB 0.074 63.230 63.200 -0.073 0.000 0.822 141 S HN 0.435 nan 8.310 nan 0.000 0.513 142 E N 1.907 121.894 120.200 -0.356 0.000 2.435 142 E HA 0.277 4.626 4.350 -0.001 0.000 0.256 142 E C -0.372 176.128 176.600 -0.167 0.000 1.245 142 E CA -0.336 55.896 56.400 -0.280 0.000 0.989 142 E CB 0.366 29.926 29.700 -0.233 0.000 0.983 142 E HN 0.337 nan 8.360 nan 0.000 0.480 143 Q N -0.059 119.662 119.800 -0.131 0.000 2.647 143 Q HA 0.177 4.517 4.340 -0.001 0.000 0.283 143 Q C -1.298 174.663 176.000 -0.065 0.000 0.943 143 Q CA -0.601 55.151 55.803 -0.085 0.000 0.813 143 Q CB 1.660 30.352 28.738 -0.076 0.000 1.477 143 Q HN 0.707 nan 8.270 nan 0.000 0.393 144 E N 0.435 120.609 120.200 -0.044 0.000 2.422 144 E HA 0.188 4.537 4.350 -0.001 0.000 0.260 144 E C 0.609 177.196 176.600 -0.022 0.000 1.108 144 E CA 0.449 56.831 56.400 -0.029 0.000 0.943 144 E CB 0.623 30.311 29.700 -0.018 0.000 0.961 144 E HN 0.715 nan 8.360 nan 0.000 0.443 145 A N 2.201 125.014 122.820 -0.012 0.000 2.194 145 A HA -0.216 4.104 4.320 -0.001 0.000 0.220 145 A C 1.869 179.459 177.584 0.009 0.000 1.162 145 A CA 1.943 53.979 52.037 -0.001 0.000 0.674 145 A CB -0.528 18.478 19.000 0.010 0.000 0.789 145 A HN 0.649 nan 8.150 nan 0.000 0.470 146 A N 0.487 123.313 122.820 0.010 0.000 1.831 146 A HA 0.052 4.371 4.320 -0.001 0.000 0.213 146 A C 1.806 179.410 177.584 0.033 0.000 1.223 146 A CA 1.194 53.249 52.037 0.030 0.000 0.604 146 A CB -0.548 18.471 19.000 0.032 0.000 0.878 146 A HN 0.370 nan 8.150 nan 0.000 0.450 147 I N 0.302 120.878 120.570 0.009 0.000 2.576 147 I HA -0.261 3.909 4.170 -0.001 0.000 0.263 147 I C 2.250 178.356 176.117 -0.018 0.000 1.183 147 I CA 1.045 62.338 61.300 -0.011 0.000 1.432 147 I CB -1.687 36.295 38.000 -0.029 0.000 1.100 147 I HN 0.294 nan 8.210 nan 0.000 0.452 148 L N 1.418 122.636 121.223 -0.008 0.000 1.981 148 L HA -0.220 4.119 4.340 -0.001 0.000 0.237 148 L C 1.481 178.343 176.870 -0.013 0.000 1.095 148 L CA 1.764 56.597 54.840 -0.012 0.000 0.820 148 L CB -0.593 41.465 42.059 -0.002 0.000 0.914 148 L HN 0.117 nan 8.230 nan 0.000 0.442 149 V N 1.082 121.004 119.914 0.013 0.000 4.591 149 V HA -0.186 3.934 4.120 -0.001 0.000 0.449 149 V C -2.019 174.061 176.094 -0.024 0.000 0.685 149 V CA -0.502 61.806 62.300 0.014 0.000 1.751 149 V CB -1.214 30.613 31.823 0.006 0.000 2.089 149 V HN 0.507 nan 8.190 nan 0.000 0.491 150 P HA 0.234 nan 4.420 nan 0.000 0.262 150 P C 0.889 178.163 177.300 -0.044 0.000 1.151 150 P CA 1.704 64.780 63.100 -0.040 0.000 0.757 150 P CB 0.223 31.895 31.700 -0.047 0.000 0.754 151 G N 2.392 111.166 108.800 -0.045 0.000 4.386 151 G HA2 -0.098 3.861 3.960 -0.001 0.000 0.185 151 G HA3 -0.098 3.861 3.960 -0.001 0.000 0.185 151 G C -0.300 174.571 174.900 -0.048 0.000 1.725 151 G CA 0.055 45.125 45.100 -0.049 0.000 0.941 151 G HN 0.623 nan 8.290 nan 0.000 0.315 152 D N 1.429 121.802 120.400 -0.046 0.000 2.393 152 D HA 0.503 5.143 4.640 -0.001 0.000 0.246 152 D C 0.136 176.419 176.300 -0.030 0.000 1.275 152 D CA -0.282 53.695 54.000 -0.039 0.000 0.979 152 D CB 0.658 41.434 40.800 -0.039 0.000 1.101 152 D HN 0.247 nan 8.370 nan 0.000 0.505 153 I N -0.306 120.253 120.570 -0.019 0.000 2.498 153 I HA 0.285 4.455 4.170 -0.001 0.000 0.301 153 I C 0.639 176.756 176.117 -0.001 0.000 0.984 153 I CA -0.662 60.635 61.300 -0.006 0.000 1.204 153 I CB 1.639 39.643 38.000 0.007 0.000 1.362 153 I HN 0.419 nan 8.210 nan 0.000 0.471 154 V N 1.392 121.308 119.914 0.003 0.000 4.198 154 V HA 0.870 4.990 4.120 -0.001 0.000 0.288 154 V C 0.117 176.227 176.094 0.026 0.000 1.363 154 V CA -0.434 61.865 62.300 -0.002 0.000 0.908 154 V CB 1.061 32.876 31.823 -0.013 0.000 1.293 154 V HN 0.762 nan 8.190 nan 0.000 0.463 155 S N -1.532 114.178 115.700 0.016 0.000 2.715 155 S HA 0.789 5.259 4.470 -0.001 0.000 0.284 155 S C -1.171 173.443 174.600 0.022 0.000 1.216 155 S CA -0.121 58.105 58.200 0.044 0.000 0.970 155 S CB 1.414 64.670 63.200 0.094 0.000 1.273 155 S HN 0.922 nan 8.310 nan 0.000 0.509 156 I N -0.012 120.579 120.570 0.035 0.000 2.604 156 I HA 0.334 4.503 4.170 -0.001 0.000 0.306 156 I C -1.844 174.290 176.117 0.028 0.000 1.912 156 I CA -0.470 60.842 61.300 0.020 0.000 0.927 156 I CB 1.876 39.883 38.000 0.012 0.000 1.473 156 I HN 0.642 nan 8.210 nan 0.000 0.634 157 K N 1.982 122.392 120.400 0.017 0.000 1.857 157 K HA 0.479 4.799 4.320 -0.001 0.000 0.252 157 K C -0.865 175.734 176.600 -0.001 0.000 0.924 157 K CA -0.638 55.660 56.287 0.017 0.000 0.788 157 K CB 1.065 33.580 32.500 0.025 0.000 1.861 157 K HN 0.457 nan 8.250 nan 0.000 0.658 158 L N 0.750 121.966 121.223 -0.011 0.000 2.912 158 L HA 0.310 4.650 4.340 -0.001 0.000 0.240 158 L C 0.188 177.048 176.870 -0.017 0.000 1.262 158 L CA 0.376 55.198 54.840 -0.029 0.000 1.058 158 L CB 0.103 42.120 42.059 -0.070 0.000 1.383 158 L HN 0.831 nan 8.230 nan 0.000 0.512 159 G N -1.688 107.109 108.800 -0.005 0.000 3.258 159 G HA2 -0.007 3.953 3.960 -0.001 0.000 0.175 159 G HA3 -0.007 3.953 3.960 -0.001 0.000 0.175 159 G C -0.477 174.424 174.900 0.002 0.000 1.261 159 G CA -0.309 44.791 45.100 -0.000 0.000 0.881 159 G HN 0.302 nan 8.290 nan 0.000 0.851 160 D N 2.133 122.534 120.400 0.001 0.000 2.551 160 D HA 0.236 4.875 4.640 -0.001 0.000 0.223 160 D C 0.761 177.064 176.300 0.005 0.000 1.144 160 D CA -0.168 53.832 54.000 -0.000 0.000 1.025 160 D CB 0.245 41.041 40.800 -0.006 0.000 1.085 160 D HN 0.298 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 -0.175 3.994 4.170 -0.001 0.000 0.293 161 I C 0.813 176.941 176.117 0.018 0.000 1.218 161 I CA -0.186 61.126 61.300 0.019 0.000 1.393 161 I CB -0.097 37.924 38.000 0.035 0.000 1.394 161 I HN 0.172 nan 8.210 nan 0.000 0.541 162 I N 9.736 130.313 120.570 0.010 0.000 3.221 162 I HA -0.222 3.947 4.170 -0.001 0.000 0.337 162 I C -1.178 174.945 176.117 0.011 0.000 1.175 162 I CA 0.077 61.380 61.300 0.005 0.000 1.488 162 I CB -0.066 37.934 38.000 0.000 0.000 1.280 162 I HN 0.503 nan 8.210 nan 0.000 0.533 163 P HA 0.013 nan 4.420 nan 0.000 0.215 163 P C -0.473 176.838 177.300 0.018 0.000 1.157 163 P CA 1.444 64.553 63.100 0.015 0.000 0.859 163 P CB 0.288 31.987 31.700 -0.002 0.000 0.786 164 A N -1.293 121.516 122.820 -0.018 0.000 2.567 164 A HA 0.433 4.753 4.320 -0.001 0.000 0.291 164 A C -1.576 175.946 177.584 -0.104 0.000 1.048 164 A CA -0.631 51.371 52.037 -0.059 0.000 0.661 164 A CB -0.217 18.759 19.000 -0.039 0.000 1.288 164 A HN 0.162 nan 8.150 nan 0.000 0.424 165 D N 0.479 120.751 120.400 -0.212 0.000 2.622 165 D HA 0.393 5.032 4.640 -0.001 0.000 0.227 165 D C 0.347 176.572 176.300 -0.125 0.000 1.159 165 D CA 1.063 54.923 54.000 -0.234 0.000 0.865 165 D CB 0.480 40.960 40.800 -0.533 0.000 1.207 165 D HN 1.674 nan 8.370 nan 0.000 0.492 166 A N 1.588 124.366 122.820 -0.070 0.000 3.251 166 A HA 0.754 5.073 4.320 -0.001 0.000 0.303 166 A C -0.373 177.207 177.584 -0.008 0.000 1.144 166 A CA -0.429 51.587 52.037 -0.036 0.000 0.606 166 A CB 0.749 19.735 19.000 -0.025 0.000 1.494 166 A HN 0.669 nan 8.150 nan 0.000 0.653 167 R N -0.366 120.137 120.500 0.004 0.000 2.471 167 R HA 0.363 4.702 4.340 -0.001 0.000 0.326 167 R C -0.184 176.130 176.300 0.024 0.000 0.875 167 R CA 0.422 56.533 56.100 0.019 0.000 1.102 167 R CB -1.709 28.602 30.300 0.019 0.000 1.749 167 R HN 1.813 nan 8.270 nan 0.000 0.487 168 L N -0.687 120.547 121.223 0.018 0.000 3.367 168 L HA -0.266 4.073 4.340 -0.001 0.000 0.539 168 L C 0.691 177.575 176.870 0.024 0.000 1.001 168 L CA 0.178 55.030 54.840 0.020 0.000 1.203 168 L CB -0.565 41.506 42.059 0.021 0.000 0.981 168 L HN 0.275 nan 8.230 nan 0.000 0.595 169 L N 1.453 122.688 121.223 0.019 0.000 1.978 169 L HA -0.221 4.119 4.340 -0.001 0.000 0.218 169 L C 1.355 178.242 176.870 0.028 0.000 1.075 169 L CA 2.627 57.481 54.840 0.022 0.000 0.767 169 L CB 0.065 42.133 42.059 0.015 0.000 0.890 169 L HN 1.168 nan 8.230 nan 0.000 0.434 170 E N -4.376 115.835 120.200 0.020 0.000 1.975 170 E HA 0.410 4.759 4.350 -0.001 0.000 0.240 170 E C -0.141 176.460 176.600 0.001 0.000 1.652 170 E CA -0.081 56.331 56.400 0.021 0.000 0.996 170 E CB -0.182 29.535 29.700 0.028 0.000 1.487 170 E HN 0.061 nan 8.360 nan 0.000 0.533 171 G N -0.298 108.499 108.800 -0.004 0.000 3.426 171 G HA2 0.086 4.045 3.960 -0.001 0.000 0.196 171 G HA3 0.086 4.045 3.960 -0.001 0.000 0.196 171 G C -0.888 173.996 174.900 -0.026 0.000 1.763 171 G CA 0.302 45.383 45.100 -0.032 0.000 1.210 171 G HN 0.899 nan 8.290 nan 0.000 0.472 172 D N 1.058 121.447 120.400 -0.018 0.000 2.369 172 D HA 0.428 5.067 4.640 -0.001 0.000 0.185 172 D C -2.721 173.557 176.300 -0.036 0.000 1.253 172 D CA -0.513 53.481 54.000 -0.010 0.000 1.107 172 D CB 1.097 41.909 40.800 0.020 0.000 1.588 172 D HN 0.269 nan 8.370 nan 0.000 0.561 173 P HA 0.059 nan 4.420 nan 0.000 0.270 173 P C -0.842 176.420 177.300 -0.062 0.000 1.167 173 P CA 0.124 63.157 63.100 -0.112 0.000 0.759 173 P CB 0.302 31.822 31.700 -0.299 0.000 0.777 174 L N -0.865 120.336 121.223 -0.037 0.000 2.403 174 L HA 0.607 4.946 4.340 -0.001 0.000 0.253 174 L C -0.634 176.230 176.870 -0.010 0.000 1.045 174 L CA -1.499 53.330 54.840 -0.019 0.000 0.845 174 L CB 0.604 42.656 42.059 -0.012 0.000 1.447 174 L HN 0.073 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 0.459 4.778 4.320 -0.001 0.000 0.280 175 K C 0.151 176.749 176.600 -0.004 0.000 1.104 175 K CA -0.137 56.147 56.287 -0.005 0.000 0.925 175 K CB 0.485 32.981 32.500 -0.008 0.000 1.261 175 K HN 0.565 nan 8.250 nan 0.000 0.445 176 V N -0.465 119.450 119.914 0.002 0.000 3.021 176 V HA 0.094 4.214 4.120 -0.001 0.000 0.385 176 V C -0.433 175.662 176.094 0.002 0.000 1.303 176 V CA -0.952 61.350 62.300 0.004 0.000 1.471 176 V CB -0.742 31.088 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 -0.002 0.000 2.659 177 D HA -0.061 4.578 4.640 -0.001 0.000 0.275 177 D C 0.872 177.169 176.300 -0.005 0.000 1.407 177 D CA 0.958 54.956 54.000 -0.003 0.000 1.033 177 D CB 0.276 41.073 40.800 -0.005 0.000 1.139 177 D HN 0.671 nan 8.370 nan 0.000 0.565 178 Q N 1.275 121.070 119.800 -0.008 0.000 3.026 178 Q HA 0.124 4.464 4.340 -0.001 0.000 0.258 178 Q C 0.236 176.227 176.000 -0.016 0.000 1.388 178 Q CA -0.093 55.702 55.803 -0.014 0.000 1.000 178 Q CB 0.022 28.746 28.738 -0.023 0.000 1.634 178 Q HN 0.192 nan 8.270 nan 0.000 0.571 179 S N -0.057 115.637 115.700 -0.010 0.000 2.701 179 S HA 0.160 4.630 4.470 -0.001 0.000 0.220 179 S C 1.003 175.598 174.600 -0.008 0.000 0.954 179 S CA 0.416 58.610 58.200 -0.010 0.000 0.936 179 S CB 0.308 63.502 63.200 -0.010 0.000 0.777 179 S HN 0.658 nan 8.310 nan 0.000 0.518 180 A N 1.271 124.087 122.820 -0.005 0.000 1.848 180 A HA 0.405 4.725 4.320 -0.001 0.000 0.184 180 A C 1.535 179.120 177.584 0.001 0.000 1.946 180 A CA 0.163 52.204 52.037 0.007 0.000 1.093 180 A CB -0.973 18.044 19.000 0.027 0.000 1.014 180 A HN 0.322 nan 8.150 nan 0.000 0.638 181 L N 0.806 122.023 121.223 -0.010 0.000 2.054 181 L HA -0.136 4.203 4.340 -0.001 0.000 0.220 181 L C 0.558 177.395 176.870 -0.056 0.000 1.081 181 L CA 3.130 57.945 54.840 -0.041 0.000 0.780 181 L CB -0.776 41.220 42.059 -0.105 0.000 0.893 181 L HN 0.326 nan 8.230 nan 0.000 0.438 182 T N 0.285 114.803 114.554 -0.061 0.000 4.076 182 T HA 0.429 4.778 4.350 -0.001 0.000 0.222 182 T C 0.118 174.792 174.700 -0.044 0.000 1.008 182 T CA 0.019 62.081 62.100 -0.064 0.000 1.486 182 T CB 0.109 68.917 68.868 -0.100 0.000 0.828 182 T HN 0.510 nan 8.240 nan 0.000 0.625 183 G N 1.776 110.559 108.800 -0.028 0.000 2.457 183 G HA2 0.537 4.496 3.960 -0.001 0.000 0.316 183 G HA3 0.537 4.496 3.960 -0.001 0.000 0.316 183 G C -0.368 174.523 174.900 -0.015 0.000 1.030 183 G CA -0.553 44.535 45.100 -0.020 0.000 1.073 183 G HN 0.316 nan 8.290 nan 0.000 0.430 184 E N 1.381 121.571 120.200 -0.015 0.000 2.266 184 E HA 0.322 4.672 4.350 -0.001 0.000 0.277 184 E C 0.700 177.296 176.600 -0.008 0.000 1.018 184 E CA -0.672 55.721 56.400 -0.011 0.000 0.840 184 E CB 1.428 31.121 29.700 -0.012 0.000 1.082 184 E HN 0.191 nan 8.360 nan 0.000 0.395 185 S N 1.863 117.561 115.700 -0.004 0.000 3.079 185 S HA -0.001 4.468 4.470 -0.001 0.000 0.245 185 S C -0.107 174.493 174.600 -0.000 0.000 1.013 185 S CA 0.354 58.553 58.200 -0.002 0.000 1.117 185 S CB -0.899 62.302 63.200 0.002 0.000 0.851 185 S HN 0.308 nan 8.310 nan 0.000 0.523 186 L N 0.898 122.120 121.223 -0.002 0.000 2.436 186 L HA 0.420 4.759 4.340 -0.001 0.000 0.268 186 L C -2.292 174.577 176.870 -0.002 0.000 0.974 186 L CA -2.409 52.431 54.840 -0.000 0.000 0.826 186 L CB 1.858 43.917 42.059 -0.000 0.000 1.291 186 L HN -0.064 nan 8.230 nan 0.000 0.406 187 P HA -0.105 nan 4.420 nan 0.000 0.276 187 P C 0.374 177.676 177.300 0.002 0.000 1.337 187 P CA 0.139 63.240 63.100 0.001 0.000 0.958 187 P CB 0.559 32.262 31.700 0.004 0.000 1.078 188 V N -6.802 113.116 119.914 0.006 0.000 3.163 188 V HA 0.128 4.248 4.120 -0.001 0.000 0.217 188 V C 0.439 176.544 176.094 0.019 0.000 1.540 188 V CA 0.457 62.763 62.300 0.009 0.000 1.205 188 V CB -1.097 30.729 31.823 0.006 0.000 1.110 188 V HN 0.773 nan 8.190 nan 0.000 0.482 189 T N 2.477 117.041 114.554 0.016 0.000 0.573 189 T HA -0.126 4.223 4.350 -0.001 0.000 0.770 189 T C -0.441 174.281 174.700 0.037 0.000 0.992 189 T CA 1.408 63.518 62.100 0.017 0.000 4.059 189 T CB -0.650 68.224 68.868 0.010 0.000 2.292 189 T HN 0.753 nan 8.240 nan 0.000 0.395 190 K N 3.415 123.839 120.400 0.040 0.000 2.512 190 K HA 0.366 4.685 4.320 -0.001 0.000 0.263 190 K C -0.024 176.626 176.600 0.083 0.000 0.966 190 K CA -0.867 55.474 56.287 0.090 0.000 0.851 190 K CB 1.586 34.141 32.500 0.093 0.000 1.395 190 K HN 0.847 nan 8.250 nan 0.000 0.440 191 H N 0.687 119.769 119.070 0.020 0.000 2.767 191 H HA 0.057 4.613 4.556 -0.001 0.000 0.380 191 H C -1.893 173.448 175.328 0.021 0.000 1.409 191 H CA -0.480 55.581 56.048 0.022 0.000 1.463 191 H CB -0.174 29.600 29.762 0.021 0.000 1.514 191 H HN 0.126 nan 8.280 nan 0.000 0.619 192 P HA 0.098 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 0.894 64.048 63.100 0.089 0.000 1.184 192 P CB -0.119 31.628 31.700 0.078 0.000 1.915 193 G N 1.225 110.070 108.800 0.076 0.000 1.930 193 G HA2 0.245 4.204 3.960 -0.001 0.000 0.286 193 G HA3 0.245 4.204 3.960 -0.001 0.000 0.286 193 G C -1.597 173.339 174.900 0.060 0.000 2.113 193 G CA -0.368 44.768 45.100 0.060 0.000 0.875 193 G HN 0.086 nan 8.290 nan 0.000 0.543 194 Q N 0.836 120.669 119.800 0.056 0.000 2.320 194 Q HA 0.189 4.528 4.340 -0.001 0.000 0.272 194 Q C -0.622 175.426 176.000 0.080 0.000 1.023 194 Q CA -0.613 55.228 55.803 0.062 0.000 0.855 194 Q CB 2.504 31.276 28.738 0.056 0.000 1.367 194 Q HN 0.704 nan 8.270 nan 0.000 0.406 195 E N 1.530 121.799 120.200 0.115 0.000 2.515 195 E HA 0.054 4.403 4.350 -0.001 0.000 0.315 195 E C 0.591 177.356 176.600 0.274 0.000 1.523 195 E CA -0.037 56.502 56.400 0.231 0.000 1.704 195 E CB -0.139 29.717 29.700 0.260 0.000 1.395 195 E HN 0.281 nan 8.360 nan 0.000 0.490 196 V N -0.078 119.921 119.914 0.143 0.000 2.506 196 V HA -0.017 4.103 4.120 -0.001 0.000 0.313 196 V C 0.470 176.631 176.094 0.112 0.000 1.716 196 V CA -0.034 62.327 62.300 0.101 0.000 1.690 196 V CB -1.950 29.898 31.823 0.042 0.000 1.389 196 V HN 0.152 nan 8.190 nan 0.000 0.483 197 F N 2.820 122.727 119.950 -0.072 0.000 2.642 197 F HA 0.014 4.540 4.527 -0.001 0.000 0.371 197 F C 2.184 177.888 175.800 -0.160 0.000 1.120 197 F CA 1.057 58.988 58.000 -0.115 0.000 1.331 197 F CB 0.548 39.459 39.000 -0.150 0.000 1.044 197 F HN 0.568 nan 8.300 nan 0.000 0.594 198 S N 1.944 117.589 115.700 -0.091 0.000 2.421 198 S HA -0.209 4.261 4.470 -0.001 0.000 0.239 198 S C 1.460 175.964 174.600 -0.160 0.000 1.054 198 S CA 1.090 59.223 58.200 -0.112 0.000 1.035 198 S CB -1.245 61.901 63.200 -0.090 0.000 0.840 198 S HN 0.886 nan 8.310 nan 0.000 0.475 199 G N 1.560 110.165 108.800 -0.325 0.000 2.916 199 G HA2 0.449 4.409 3.960 -0.001 0.000 0.280 199 G HA3 0.449 4.409 3.960 -0.001 0.000 0.280 199 G C -0.350 174.505 174.900 -0.076 0.000 0.758 199 G CA -0.006 44.944 45.100 -0.251 0.000 1.993 199 G HN 0.858 nan 8.290 nan 0.000 0.564 200 S N -0.323 115.362 115.700 -0.025 0.000 2.653 200 S HA 0.319 4.788 4.470 -0.001 0.000 0.268 200 S C -0.387 174.217 174.600 0.007 0.000 1.153 200 S CA -0.855 57.343 58.200 -0.004 0.000 1.036 200 S CB 1.273 64.477 63.200 0.006 0.000 1.103 200 S HN 0.188 nan 8.310 nan 0.000 0.466 201 T N 1.536 116.094 114.554 0.007 0.000 3.364 201 T HA 0.295 4.645 4.350 -0.001 0.000 0.323 201 T C 0.973 175.673 174.700 0.001 0.000 1.323 201 T CA -0.527 61.578 62.100 0.007 0.000 1.073 201 T CB -1.243 67.629 68.868 0.007 0.000 1.150 201 T HN 0.983 nan 8.240 nan 0.000 0.727 202 C N 3.727 123.028 119.300 0.001 0.000 2.657 202 C HA 0.353 4.812 4.460 -0.001 0.000 0.420 202 C C 1.330 176.314 174.990 -0.010 0.000 1.323 202 C CA -0.669 58.348 59.018 -0.003 0.000 1.894 202 C CB 0.146 27.886 27.740 -0.000 0.000 2.681 202 C HN 0.680 nan 8.230 nan 0.000 0.613 203 K N 2.091 122.482 120.400 -0.015 0.000 3.237 203 K HA 0.150 4.470 4.320 -0.001 0.000 0.182 203 K C 0.949 177.526 176.600 -0.039 0.000 1.145 203 K CA 0.294 56.565 56.287 -0.027 0.000 1.470 203 K CB -0.423 32.062 32.500 -0.025 0.000 2.031 203 K HN 0.942 nan 8.250 nan 0.000 0.521 204 Q N 0.322 120.093 119.800 -0.049 0.000 2.317 204 Q HA 0.412 4.751 4.340 -0.001 0.000 0.229 204 Q C -0.153 175.828 176.000 -0.032 0.000 0.984 204 Q CA -0.359 55.407 55.803 -0.062 0.000 0.911 204 Q CB 1.072 29.759 28.738 -0.086 0.000 1.217 204 Q HN 0.583 nan 8.270 nan 0.000 0.501 205 G N 1.426 110.211 108.800 -0.024 0.000 3.435 205 G HA2 -0.082 3.878 3.960 -0.001 0.000 0.683 205 G HA3 -0.082 3.878 3.960 -0.001 0.000 0.683 205 G C -1.383 173.518 174.900 0.001 0.000 1.189 205 G CA -0.715 44.381 45.100 -0.007 0.000 1.069 205 G HN 0.582 nan 8.290 nan 0.000 0.508 206 E N 1.875 122.079 120.200 0.007 0.000 2.044 206 E HA 0.488 4.838 4.350 -0.001 0.000 0.282 206 E C 0.563 177.163 176.600 0.001 0.000 1.031 206 E CA -0.498 55.909 56.400 0.012 0.000 0.824 206 E CB 1.140 30.849 29.700 0.015 0.000 1.076 206 E HN 0.432 nan 8.360 nan 0.000 0.395 207 I N 1.663 122.239 120.570 0.010 0.000 2.647 207 I HA 0.304 4.473 4.170 -0.001 0.000 0.295 207 I C 0.343 176.470 176.117 0.016 0.000 1.078 207 I CA -1.089 60.213 61.300 0.005 0.000 1.048 207 I CB 1.635 39.638 38.000 0.004 0.000 1.239 207 I HN 0.350 nan 8.210 nan 0.000 0.421 208 E N 3.049 123.256 120.200 0.010 0.000 2.349 208 E HA 0.766 5.115 4.350 -0.001 0.000 0.262 208 E C -0.469 176.140 176.600 0.016 0.000 1.088 208 E CA -0.348 56.063 56.400 0.019 0.000 0.899 208 E CB 2.176 31.882 29.700 0.010 0.000 1.044 208 E HN 0.769 nan 8.360 nan 0.000 0.420 209 A N 0.818 123.648 122.820 0.016 0.000 2.590 209 A HA 0.435 4.755 4.320 -0.001 0.000 0.294 209 A C -1.507 176.078 177.584 0.002 0.000 1.046 209 A CA -0.681 51.361 52.037 0.009 0.000 0.684 209 A CB 1.124 20.128 19.000 0.008 0.000 1.279 209 A HN 0.216 nan 8.150 nan 0.000 0.415 210 V N 2.136 122.048 119.914 -0.003 0.000 2.378 210 V HA 0.440 4.559 4.120 -0.001 0.000 0.288 210 V C 0.371 176.453 176.094 -0.019 0.000 1.016 210 V CA -0.473 61.819 62.300 -0.013 0.000 0.840 210 V CB 1.351 33.164 31.823 -0.016 0.000 0.994 210 V HN 1.294 nan 8.190 nan 0.000 0.431 211 V N 4.766 124.664 119.914 -0.027 0.000 2.441 211 V HA 0.217 4.337 4.120 -0.001 0.000 0.279 211 V C 0.426 176.495 176.094 -0.043 0.000 0.990 211 V CA 0.392 62.670 62.300 -0.037 0.000 1.116 211 V CB -0.501 31.299 31.823 -0.039 0.000 0.977 211 V HN 0.744 nan 8.190 nan 0.000 0.470 212 I N 4.797 125.337 120.570 -0.049 0.000 3.468 212 I HA 0.715 4.884 4.170 -0.001 0.000 0.299 212 I C 1.194 177.268 176.117 -0.073 0.000 1.141 212 I CA 0.189 61.460 61.300 -0.048 0.000 0.950 212 I CB 1.498 39.477 38.000 -0.035 0.000 1.522 212 I HN 1.228 nan 8.210 nan 0.000 0.699 213 A N 1.240 124.023 122.820 -0.062 0.000 6.458 213 A HA -0.251 4.069 4.320 -0.001 0.000 0.279 213 A C 0.213 177.747 177.584 -0.083 0.000 2.024 213 A CA 0.891 52.887 52.037 -0.068 0.000 0.770 213 A CB -2.298 16.635 19.000 -0.112 0.000 1.107 213 A HN 1.009 nan 8.150 nan 0.000 0.396 214 T N -1.845 112.647 114.554 -0.103 0.000 2.928 214 T HA 0.599 4.949 4.350 -0.001 0.000 0.284 214 T C 1.535 176.172 174.700 -0.104 0.000 1.008 214 T CA 0.533 62.528 62.100 -0.174 0.000 1.057 214 T CB 1.169 69.760 68.868 -0.462 0.000 1.018 214 T HN 2.261 nan 8.240 nan 0.000 0.493 215 G N 1.212 109.969 108.800 -0.071 0.000 2.806 215 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.214 215 G HA3 -0.214 3.746 3.960 -0.001 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 -0.004 0.000 0.807 215 G HN 0.882 nan 8.290 nan 0.000 0.644 216 V N 1.057 121.038 119.914 0.112 0.000 3.330 216 V HA -0.026 4.093 4.120 -0.001 0.000 0.273 216 V C 0.534 176.888 176.094 0.432 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 0.154 0.000 0.794 216 V HN 0.428 nan 8.190 nan 0.000 0.527 217 H N -0.018 119.118 119.070 0.111 0.000 2.820 217 H HA 0.492 5.047 4.556 -0.001 0.000 0.248 217 H C 0.739 176.099 175.328 0.053 0.000 1.714 217 H CA 0.352 56.523 56.048 0.205 0.000 1.334 217 H CB 0.676 30.541 29.762 0.171 0.000 1.693 217 H HN 0.259 nan 8.280 nan 0.000 0.548 218 T N -0.535 114.164 114.554 0.241 0.000 3.822 218 T HA -0.050 4.299 4.350 -0.001 0.000 0.318 218 T C 1.098 175.992 174.700 0.324 0.000 0.894 218 T CA -0.199 61.992 62.100 0.152 0.000 1.147 218 T CB -0.570 68.176 68.868 -0.204 0.000 1.088 218 T HN 0.201 nan 8.240 nan 0.000 0.529 219 F N 1.116 121.212 119.950 0.242 0.000 2.661 219 F HA 0.376 4.902 4.527 -0.001 0.000 0.298 219 F C 1.338 177.254 175.800 0.193 0.000 1.137 219 F CA 0.204 58.313 58.000 0.182 0.000 1.454 219 F CB -0.016 39.060 39.000 0.127 0.000 1.103 219 F HN 0.253 nan 8.300 nan 0.000 0.577 220 F N -0.690 119.385 119.950 0.209 0.000 2.749 220 F HA 0.335 4.861 4.527 -0.001 0.000 0.300 220 F C 2.007 177.837 175.800 0.049 0.000 1.103 220 F CA 0.377 58.415 58.000 0.064 0.000 1.342 220 F CB -0.436 38.528 39.000 -0.059 0.000 1.098 220 F HN -0.143 nan 8.300 nan 0.000 0.586 221 G N 0.172 109.001 108.800 0.048 0.000 2.985 221 G HA2 -0.006 3.953 3.960 -0.001 0.000 0.209 221 G HA3 -0.006 3.953 3.960 -0.001 0.000 0.209 221 G C 0.617 175.462 174.900 -0.091 0.000 1.165 221 G CA 0.026 45.133 45.100 0.012 0.000 0.776 221 G HN 0.174 nan 8.290 nan 0.000 0.541 222 K N 0.393 120.759 120.400 -0.057 0.000 3.320 222 K HA 0.450 4.770 4.320 -0.001 0.000 0.194 222 K C 0.062 176.649 176.600 -0.021 0.000 1.085 222 K CA -0.288 55.962 56.287 -0.061 0.000 0.901 222 K CB 1.072 33.550 32.500 -0.038 0.000 0.765 222 K HN 0.136 nan 8.250 nan 0.000 0.480 223 A N 0.577 123.342 122.820 -0.091 0.000 2.454 223 A HA 0.634 4.953 4.320 -0.001 0.000 0.260 223 A C 1.002 178.530 177.584 -0.093 0.000 1.106 223 A CA 0.261 52.267 52.037 -0.051 0.000 0.780 223 A CB 0.386 19.341 19.000 -0.074 0.000 1.044 223 A HN 0.459 nan 8.150 nan 0.000 0.498 224 A N 2.653 125.449 122.820 -0.039 0.000 3.051 224 A HA 0.487 4.806 4.320 -0.001 0.000 0.187 224 A C 0.862 178.374 177.584 -0.119 0.000 1.690 224 A CA 0.811 52.840 52.037 -0.014 0.000 0.677 224 A CB -0.139 18.892 19.000 0.051 0.000 1.164 224 A HN 0.914 nan 8.150 nan 0.000 0.473 225 H N -2.974 116.102 119.070 0.011 0.000 2.948 225 H HA 0.296 4.851 4.556 -0.001 0.000 0.315 225 H C -0.974 174.358 175.328 0.007 0.000 1.360 225 H CA -0.691 55.363 56.048 0.009 0.000 1.125 225 H CB 0.813 30.576 29.762 0.002 0.000 1.844 225 H HN 0.261 nan 8.280 nan 0.000 0.529 226 L N 1.979 123.301 121.223 0.164 0.000 2.858 226 L HA 0.167 4.507 4.340 -0.001 0.000 0.243 226 L C -0.071 176.831 176.870 0.052 0.000 1.416 226 L CA 0.312 55.198 54.840 0.077 0.000 1.182 226 L CB -0.578 41.520 42.059 0.064 0.000 1.564 226 L HN 0.095 nan 8.230 nan 0.000 0.436 227 V N 0.268 120.213 119.914 0.051 0.000 2.934 227 V HA 0.327 4.446 4.120 -0.001 0.000 0.256 227 V C -2.069 174.039 176.094 0.024 0.000 1.791 227 V CA -0.783 61.532 62.300 0.024 0.000 0.927 227 V CB 2.524 34.356 31.823 0.015 0.000 1.354 227 V HN 0.579 nan 8.190 nan 0.000 0.455 228 D N 2.591 122.994 120.400 0.006 0.000 2.671 228 D HA 0.470 5.109 4.640 -0.001 0.000 0.273 228 D C -0.733 175.561 176.300 -0.009 0.000 1.264 228 D CA -0.372 53.630 54.000 0.003 0.000 0.788 228 D CB 1.554 42.358 40.800 0.006 0.000 1.324 228 D HN 0.545 nan 8.370 nan 0.000 0.424 229 S N -0.142 115.553 115.700 -0.008 0.000 2.558 229 S HA 0.230 4.699 4.470 -0.001 0.000 0.288 229 S C 0.320 174.906 174.600 -0.025 0.000 1.318 229 S CA -0.034 58.158 58.200 -0.013 0.000 1.056 229 S CB 0.116 63.312 63.200 -0.008 0.000 0.853 229 S HN 0.498 nan 8.310 nan 0.000 0.505 230 T N 4.102 118.638 114.554 -0.031 0.000 2.872 230 T HA -0.074 4.276 4.350 -0.001 0.000 0.292 230 T C 1.535 176.200 174.700 -0.058 0.000 1.036 230 T CA -0.008 62.063 62.100 -0.048 0.000 1.136 230 T CB 0.003 68.842 68.868 -0.049 0.000 1.052 230 T HN 0.563 nan 8.240 nan 0.000 0.512 231 N N 2.583 121.234 118.700 -0.082 0.000 2.043 231 N HA -0.089 4.651 4.740 -0.001 0.000 0.193 231 N C 1.073 176.517 175.510 -0.111 0.000 1.037 231 N CA 1.112 54.105 53.050 -0.095 0.000 0.851 231 N CB 0.037 38.453 38.487 -0.119 0.000 1.027 231 N HN 0.562 nan 8.380 nan 0.000 0.422 232 Q N -0.594 119.103 119.800 -0.170 0.000 2.156 232 Q HA -0.008 4.331 4.340 -0.001 0.000 0.180 232 Q C 0.260 176.055 176.000 -0.342 0.000 0.600 232 Q CA 0.048 55.735 55.803 -0.193 0.000 1.007 232 Q CB -0.588 28.035 28.738 -0.193 0.000 1.380 232 Q HN 0.161 nan 8.270 nan 0.000 0.330 233 V N -1.677 118.099 119.914 -0.230 0.000 3.244 233 V HA 0.018 4.137 4.120 -0.001 0.000 0.273 233 V C 1.253 177.304 176.094 -0.073 0.000 1.180 233 V CA 1.782 63.961 62.300 -0.202 0.000 1.182 233 V CB -1.082 30.676 31.823 -0.108 0.000 0.796 233 V HN 0.294 nan 8.190 nan 0.000 0.543 234 G N -0.032 108.790 108.800 0.036 0.000 2.311 234 G HA2 -0.135 3.824 3.960 -0.001 0.000 0.274 234 G HA3 -0.135 3.824 3.960 -0.001 0.000 0.274 234 G C 0.216 175.426 174.900 0.516 0.000 1.511 234 G CA 0.258 45.512 45.100 0.257 0.000 1.041 234 G HN 0.816 nan 8.290 nan 0.000 0.527 235 H N -0.227 119.055 119.070 0.354 0.000 3.847 235 H HA 0.153 4.708 4.556 -0.001 0.000 0.228 235 H C 0.172 175.537 175.328 0.063 0.000 1.313 235 H CA 0.217 56.362 56.048 0.161 0.000 1.530 235 H CB -0.498 29.257 29.762 -0.012 0.000 1.732 235 H HN 0.338 nan 8.280 nan 0.000 0.631 236 F N 0.372 120.398 119.950 0.126 0.000 1.806 236 F HA 0.011 4.537 4.527 -0.001 0.000 0.245 236 F C 1.757 177.588 175.800 0.051 0.000 1.158 236 F CA -0.430 57.643 58.000 0.122 0.000 1.289 236 F CB 0.245 39.291 39.000 0.077 0.000 1.718 236 F HN 0.305 nan 8.300 nan 0.000 0.480 237 Q N 0.302 120.255 119.800 0.255 0.000 2.462 237 Q HA 0.147 4.486 4.340 -0.001 0.000 0.224 237 Q C 0.722 176.754 176.000 0.054 0.000 0.911 237 Q CA 0.412 56.287 55.803 0.120 0.000 0.925 237 Q CB 0.217 29.011 28.738 0.093 0.000 1.063 237 Q HN 0.030 nan 8.270 nan 0.000 0.572 238 K N 2.431 122.865 120.400 0.056 0.000 3.120 238 K HA 0.021 4.340 4.320 -0.001 0.000 0.275 238 K C 1.455 178.019 176.600 -0.060 0.000 0.914 238 K CA 0.225 56.516 56.287 0.005 0.000 1.125 238 K CB -0.340 32.173 32.500 0.022 0.000 1.053 238 K HN 0.213 nan 8.250 nan 0.000 0.450 239 V N -3.614 116.244 119.914 -0.094 0.000 3.251 239 V HA 0.019 4.138 4.120 -0.001 0.000 0.239 239 V C 1.501 177.538 176.094 -0.095 0.000 1.332 239 V CA -0.073 62.096 62.300 -0.219 0.000 1.224 239 V CB -0.424 31.156 31.823 -0.404 0.000 1.004 239 V HN 0.121 nan 8.190 nan 0.000 0.464 240 L N -0.547 120.659 121.223 -0.028 0.000 2.168 240 L HA 0.345 4.685 4.340 -0.001 0.000 0.203 240 L C 2.351 179.225 176.870 0.007 0.000 1.078 240 L CA 2.167 57.013 54.840 0.011 0.000 0.780 240 L CB -2.046 40.043 42.059 0.049 0.000 0.939 240 L HN 0.085 nan 8.230 nan 0.000 0.451 241 T N 0.676 115.230 114.554 0.000 0.000 2.849 241 T HA -0.099 4.250 4.350 -0.001 0.000 0.270 241 T C 2.057 176.736 174.700 -0.036 0.000 1.066 241 T CA 1.347 63.438 62.100 -0.016 0.000 1.130 241 T CB -0.422 68.431 68.868 -0.024 0.000 0.864 241 T HN 0.530 nan 8.240 nan 0.000 0.481 242 A N 0.967 123.770 122.820 -0.028 0.000 1.948 242 A HA -0.116 4.203 4.320 -0.001 0.000 0.220 242 A C 2.064 179.666 177.584 0.030 0.000 1.177 242 A CA 1.546 53.578 52.037 -0.009 0.000 0.636 242 A CB -0.566 18.420 19.000 -0.023 0.000 0.815 242 A HN 0.543 nan 8.150 nan 0.000 0.449 243 I N -0.696 119.885 120.570 0.019 0.000 2.296 243 I HA 0.041 4.210 4.170 -0.001 0.000 0.242 243 I C 2.699 178.826 176.117 0.015 0.000 1.087 243 I CA 1.079 62.402 61.300 0.038 0.000 1.393 243 I CB -0.990 37.024 38.000 0.024 0.000 1.093 243 I HN 0.244 nan 8.210 nan 0.000 0.421 244 G N 0.917 109.715 108.800 -0.004 0.000 2.507 244 G HA2 -0.355 3.604 3.960 -0.001 0.000 0.221 244 G HA3 -0.355 3.604 3.960 -0.001 0.000 0.221 244 G C 1.576 176.441 174.900 -0.059 0.000 1.119 244 G CA 1.432 46.523 45.100 -0.016 0.000 0.751 244 G HN 0.331 nan 8.290 nan 0.000 0.574 245 N N 0.174 118.804 118.700 -0.116 0.000 2.148 245 N HA -0.005 4.735 4.740 -0.001 0.000 0.186 245 N C 0.769 176.077 175.510 -0.336 0.000 1.031 245 N CA 0.471 53.352 53.050 -0.283 0.000 0.848 245 N CB -0.255 37.974 38.487 -0.430 0.000 1.005 245 N HN 0.195 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 0.267 4.794 4.527 -0.001 0.000 0.290 246 F C 1.371 177.152 175.800 -0.030 0.000 1.195 246 F CA -0.480 57.504 58.000 -0.027 0.000 1.387 246 F CB -0.114 38.868 39.000 -0.031 0.000 0.976 246 F HN 0.188 nan 8.300 nan 0.000 0.510 247 C N -1.620 117.726 119.300 0.077 0.000 2.904 247 C HA 0.268 4.728 4.460 -0.001 0.000 0.524 247 C C 2.442 177.432 174.990 0.001 0.000 1.313 247 C CA 0.133 59.169 59.018 0.030 0.000 2.614 247 C CB -0.902 26.842 27.740 0.007 0.000 3.335 247 C HN 0.498 nan 8.230 nan 0.000 0.519 248 I N 1.440 122.001 120.570 -0.014 0.000 2.179 248 I HA -0.122 4.048 4.170 -0.001 0.000 0.242 248 I C 1.566 177.675 176.117 -0.014 0.000 1.088 248 I CA 1.591 62.878 61.300 -0.021 0.000 1.357 248 I CB -0.173 37.807 38.000 -0.034 0.000 1.051 248 I HN 0.502 nan 8.210 nan 0.000 0.409 249 C N 1.324 120.618 119.300 -0.011 0.000 3.684 249 C HA 0.166 4.625 4.460 -0.001 0.000 0.584 249 C C 1.639 176.663 174.990 0.056 0.000 1.130 249 C CA 0.458 59.492 59.018 0.027 0.000 1.194 249 C CB -1.897 25.872 27.740 0.049 0.000 1.457 249 C HN 0.441 nan 8.230 nan 0.000 0.647 250 S N -0.285 115.423 115.700 0.015 0.000 2.786 250 S HA 0.124 4.593 4.470 -0.001 0.000 0.269 250 S C 1.533 176.109 174.600 -0.039 0.000 1.040 250 S CA -0.139 58.054 58.200 -0.012 0.000 1.099 250 S CB -0.164 63.027 63.200 -0.015 0.000 0.936 250 S HN 0.480 nan 8.310 nan 0.000 0.450 251 I N 2.943 123.495 120.570 -0.029 0.000 2.127 251 I HA -0.148 4.021 4.170 -0.001 0.000 0.241 251 I C 2.417 178.535 176.117 0.001 0.000 1.075 251 I CA 1.930 63.217 61.300 -0.022 0.000 1.334 251 I CB -1.168 36.826 38.000 -0.010 0.000 1.040 251 I HN 0.336 nan 8.210 nan 0.000 0.405 252 A N -0.281 122.542 122.820 0.005 0.000 2.235 252 A HA -0.016 4.303 4.320 -0.001 0.000 0.208 252 A C 2.102 179.698 177.584 0.019 0.000 1.172 252 A CA 0.419 52.465 52.037 0.014 0.000 0.786 252 A CB -0.373 18.631 19.000 0.006 0.000 0.804 252 A HN 0.339 nan 8.150 nan 0.000 0.479 253 I N -1.106 119.469 120.570 0.008 0.000 3.081 253 I HA 0.043 4.212 4.170 -0.001 0.000 0.274 253 I C 2.082 178.204 176.117 0.007 0.000 1.178 253 I CA 1.477 62.780 61.300 0.005 0.000 1.460 253 I CB -0.705 37.288 38.000 -0.012 0.000 1.137 253 I HN 0.310 nan 8.210 nan 0.000 0.443 254 G N 1.153 109.941 108.800 -0.019 0.000 2.453 254 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.215 254 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.215 254 G C 1.548 176.646 174.900 0.329 0.000 1.147 254 G CA 0.720 45.819 45.100 -0.003 0.000 0.802 254 G HN 0.438 nan 8.290 nan 0.000 0.535 255 M N 1.367 121.078 119.600 0.185 0.000 2.229 255 M HA 0.078 4.557 4.480 -0.001 0.000 0.264 255 M C 2.165 178.522 176.300 0.095 0.000 1.063 255 M CA 1.763 57.154 55.300 0.152 0.000 1.114 255 M CB -0.693 31.959 32.600 0.086 0.000 1.387 255 M HN 0.108 nan 8.290 nan 0.000 0.420 256 V N -2.070 117.891 119.914 0.077 0.000 3.305 256 V HA 0.003 4.123 4.120 -0.001 0.000 0.269 256 V C 1.894 178.034 176.094 0.075 0.000 1.157 256 V CA 0.914 63.241 62.300 0.045 0.000 1.157 256 V CB -0.997 30.843 31.823 0.030 0.000 0.772 256 V HN 0.559 nan 8.190 nan 0.000 0.498 257 I N 0.272 120.938 120.570 0.159 0.000 3.172 257 I HA 0.096 4.266 4.170 -0.001 0.000 0.278 257 I C 2.464 178.636 176.117 0.091 0.000 1.174 257 I CA 1.176 62.599 61.300 0.204 0.000 1.445 257 I CB -0.600 37.654 38.000 0.423 0.000 1.175 257 I HN 0.440 nan 8.210 nan 0.000 0.447 258 E N 1.606 121.862 120.200 0.094 0.000 2.072 258 E HA -0.155 4.195 4.350 -0.001 0.000 0.191 258 E C 2.250 178.841 176.600 -0.015 0.000 0.985 258 E CA 1.186 57.523 56.400 -0.105 0.000 0.801 258 E CB 0.196 29.895 29.700 -0.001 0.000 0.750 258 E HN 0.370 nan 8.360 nan 0.000 0.452 259 I N 1.399 121.976 120.570 0.012 0.000 2.130 259 I HA -0.231 3.938 4.170 -0.001 0.000 0.232 259 I C 2.109 178.226 176.117 0.001 0.000 1.064 259 I CA 0.579 61.861 61.300 -0.031 0.000 1.338 259 I CB -0.327 37.581 38.000 -0.154 0.000 1.084 259 I HN 0.139 nan 8.210 nan 0.000 0.404 260 I N 1.790 122.350 120.570 -0.015 0.000 3.294 260 I HA -0.084 4.085 4.170 -0.001 0.000 0.287 260 I C 1.380 177.514 176.117 0.029 0.000 1.328 260 I CA 1.065 62.369 61.300 0.006 0.000 1.375 260 I CB -1.346 36.655 38.000 0.001 0.000 1.045 260 I HN 0.293 nan 8.210 nan 0.000 0.522 261 V N -2.600 117.330 119.914 0.027 0.000 3.070 261 V HA 0.331 4.451 4.120 -0.001 0.000 0.355 261 V C 0.435 176.530 176.094 0.003 0.000 1.400 261 V CA -0.109 62.199 62.300 0.012 0.000 1.170 261 V CB 0.949 32.772 31.823 -0.000 0.000 1.169 261 V HN 0.169 nan 8.190 nan 0.000 0.554 262 M N -0.380 119.256 119.600 0.060 0.000 2.199 262 M HA 0.457 4.936 4.480 -0.001 0.000 0.191 262 M C 1.358 177.739 176.300 0.135 0.000 1.744 262 M CA 1.076 56.419 55.300 0.071 0.000 1.005 262 M CB -0.386 32.252 32.600 0.064 0.000 1.478 262 M HN 0.175 nan 8.290 nan 0.000 0.585 263 Y N 1.223 121.523 120.300 -0.001 0.000 2.139 263 Y HA -0.161 4.388 4.550 -0.001 0.000 0.282 263 Y C -0.805 175.112 175.900 0.028 0.000 1.179 263 Y CA 2.613 60.728 58.100 0.025 0.000 1.161 263 Y CB -2.233 36.244 38.460 0.029 0.000 0.970 263 Y HN 0.331 nan 8.280 nan 0.000 0.511 264 P HA -0.078 nan 4.420 nan 0.000 0.217 264 P C 1.322 178.658 177.300 0.059 0.000 1.153 264 P CA 1.159 64.319 63.100 0.100 0.000 0.843 264 P CB 0.144 31.891 31.700 0.079 0.000 0.794 265 I N 0.083 120.682 120.570 0.048 0.000 2.332 265 I HA -0.149 4.021 4.170 -0.001 0.000 0.211 265 I C 1.948 178.074 176.117 0.014 0.000 1.055 265 I CA 1.408 62.722 61.300 0.024 0.000 1.366 265 I CB -2.077 35.929 38.000 0.011 0.000 1.173 265 I HN -0.064 nan 8.210 nan 0.000 0.400 266 Q N 0.296 120.098 119.800 0.003 0.000 2.591 266 Q HA -0.066 4.274 4.340 -0.001 0.000 0.219 266 Q C 0.935 176.930 176.000 -0.007 0.000 0.981 266 Q CA 0.204 56.006 55.803 -0.003 0.000 0.945 266 Q CB -0.111 28.620 28.738 -0.011 0.000 0.985 266 Q HN 0.194 nan 8.270 nan 0.000 0.542 267 R N 0.603 121.102 120.500 -0.002 0.000 3.335 267 R HA -0.324 4.015 4.340 -0.001 0.000 0.641 267 R C -0.471 175.797 176.300 -0.053 0.000 0.241 267 R CA 1.949 58.042 56.100 -0.011 0.000 1.968 267 R CB -0.416 29.888 30.300 0.007 0.000 0.788 267 R HN 0.345 nan 8.270 nan 0.000 0.648 268 R N 1.109 121.586 120.500 -0.039 0.000 2.727 268 R HA -0.199 4.140 4.340 -0.001 0.000 0.224 268 R C -0.531 175.725 176.300 -0.072 0.000 0.789 268 R CA 1.311 57.386 56.100 -0.042 0.000 0.532 268 R CB -1.233 29.058 30.300 -0.015 0.000 1.130 268 R HN 0.249 nan 8.270 nan 0.000 0.511 269 K N -0.323 119.980 120.400 -0.163 0.000 2.575 269 K HA 0.456 4.776 4.320 -0.001 0.000 0.279 269 K C -0.444 175.909 176.600 -0.412 0.000 0.969 269 K CA -0.733 55.406 56.287 -0.248 0.000 0.868 269 K CB 1.917 34.237 32.500 -0.301 0.000 1.457 269 K HN 0.151 nan 8.250 nan 0.000 0.426 270 Y N 0.660 120.712 120.300 -0.414 0.000 2.203 270 Y HA -0.073 4.476 4.550 -0.001 0.000 0.075 270 Y C 1.158 177.070 175.900 0.021 0.000 1.015 270 Y CA 0.759 58.730 58.100 -0.217 0.000 1.747 270 Y CB 0.078 38.506 38.460 -0.053 0.000 1.065 270 Y HN 0.475 nan 8.280 nan 0.000 0.179 271 R N 0.982 121.792 120.500 0.517 0.000 2.170 271 R HA -0.100 4.240 4.340 -0.001 0.000 0.242 271 R C 0.561 176.929 176.300 0.114 0.000 1.145 271 R CA 2.075 58.355 56.100 0.301 0.000 0.984 271 R CB -0.331 30.081 30.300 0.187 0.000 0.869 271 R HN 0.360 nan 8.270 nan 0.000 0.455 272 D N 0.218 120.662 120.400 0.073 0.000 2.277 272 D HA 0.021 4.660 4.640 -0.001 0.000 0.209 272 D C 2.021 178.374 176.300 0.088 0.000 0.970 272 D CA 1.235 55.263 54.000 0.047 0.000 0.874 272 D CB -0.219 40.598 40.800 0.029 0.000 0.982 272 D HN 0.434 nan 8.370 nan 0.000 0.504 273 G N 1.207 110.034 108.800 0.045 0.000 2.421 273 G HA2 -0.142 3.817 3.960 -0.001 0.000 0.217 273 G HA3 -0.142 3.817 3.960 -0.001 0.000 0.217 273 G C 1.576 176.574 174.900 0.163 0.000 1.143 273 G CA 0.081 45.231 45.100 0.084 0.000 0.784 273 G HN 0.115 nan 8.290 nan 0.000 0.541 274 I N 2.043 122.686 120.570 0.122 0.000 2.179 274 I HA -0.109 4.060 4.170 -0.001 0.000 0.242 274 I C 2.209 178.376 176.117 0.083 0.000 1.088 274 I CA 1.104 62.446 61.300 0.069 0.000 1.357 274 I CB -0.813 37.185 38.000 -0.004 0.000 1.051 274 I HN 0.118 nan 8.210 nan 0.000 0.409 275 D N 0.920 121.377 120.400 0.095 0.000 2.133 275 D HA -0.193 4.447 4.640 -0.001 0.000 0.195 275 D C 1.701 178.097 176.300 0.161 0.000 0.997 275 D CA 1.228 55.297 54.000 0.116 0.000 0.840 275 D CB -0.457 40.411 40.800 0.114 0.000 0.947 275 D HN 0.316 nan 8.370 nan 0.000 0.452 276 N N -0.015 118.791 118.700 0.177 0.000 2.463 276 N HA 0.014 4.753 4.740 -0.001 0.000 0.181 276 N C 1.670 177.289 175.510 0.181 0.000 1.078 276 N CA 0.020 53.191 53.050 0.202 0.000 0.902 276 N CB 0.109 38.699 38.487 0.170 0.000 0.970 276 N HN 0.247 nan 8.380 nan 0.000 0.451 277 L N -0.498 120.811 121.223 0.142 0.000 2.221 277 L HA 0.141 4.480 4.340 -0.001 0.000 0.202 277 L C 1.530 178.458 176.870 0.096 0.000 1.074 277 L CA 0.390 55.297 54.840 0.112 0.000 0.795 277 L CB 0.029 42.133 42.059 0.074 0.000 0.960 277 L HN 0.023 nan 8.230 nan 0.000 0.458 278 L N -0.348 120.926 121.223 0.085 0.000 2.362 278 L HA -0.112 4.228 4.340 -0.001 0.000 0.219 278 L C 2.188 179.106 176.870 0.080 0.000 1.134 278 L CA 1.517 56.395 54.840 0.063 0.000 0.807 278 L CB -0.241 41.848 42.059 0.050 0.000 0.927 278 L HN 0.310 nan 8.230 nan 0.000 0.447 279 V N -4.404 115.590 119.914 0.132 0.000 2.302 279 V HA -0.171 3.949 4.120 -0.001 0.000 0.243 279 V C 2.320 178.507 176.094 0.155 0.000 1.036 279 V CA 1.095 63.484 62.300 0.148 0.000 1.020 279 V CB -0.956 31.030 31.823 0.273 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 -0.190 4.150 4.340 -0.001 0.000 0.221 280 L C 2.357 179.286 176.870 0.098 0.000 1.079 280 L CA 2.258 57.203 54.840 0.176 0.000 0.778 280 L CB -0.786 41.370 42.059 0.162 0.000 0.893 280 L HN 0.327 nan 8.230 nan 0.000 0.437 281 L N -1.030 120.235 121.223 0.070 0.000 2.786 281 L HA -0.086 4.253 4.340 -0.001 0.000 0.250 281 L C 1.277 178.159 176.870 0.019 0.000 1.151 281 L CA 0.290 55.151 54.840 0.034 0.000 0.910 281 L CB -0.231 41.840 42.059 0.020 0.000 1.082 281 L HN 0.383 nan 8.230 nan 0.000 0.433 282 I N -1.992 118.593 120.570 0.025 0.000 5.362 282 I HA 0.117 4.286 4.170 -0.001 0.000 0.359 282 I C 1.676 177.792 176.117 -0.002 0.000 1.172 282 I CA 0.249 61.549 61.300 0.001 0.000 1.577 282 I CB 0.322 38.311 38.000 -0.018 0.000 1.845 282 I HN -0.090 nan 8.210 nan 0.000 0.632 283 G N 0.766 109.576 108.800 0.017 0.000 3.374 283 G HA2 0.461 4.421 3.960 -0.001 0.000 0.252 283 G HA3 0.461 4.421 3.960 -0.001 0.000 0.252 283 G C 0.753 175.718 174.900 0.108 0.000 1.326 283 G CA 0.475 45.583 45.100 0.014 0.000 1.133 283 G HN 0.605 nan 8.290 nan 0.000 0.528 284 G N -0.046 108.778 108.800 0.040 0.000 5.569 284 G HA2 0.339 4.298 3.960 -0.001 0.000 0.192 284 G HA3 0.339 4.298 3.960 -0.001 0.000 0.192 284 G C -0.978 173.916 174.900 -0.011 0.000 0.708 284 G CA -0.371 44.732 45.100 0.005 0.000 0.628 284 G HN 0.137 nan 8.290 nan 0.000 0.345 285 I N 0.998 121.566 120.570 -0.003 0.000 2.439 285 I HA 0.408 4.578 4.170 -0.001 0.000 0.283 285 I C -1.318 174.808 176.117 0.016 0.000 1.023 285 I CA -2.559 58.744 61.300 0.006 0.000 1.100 285 I CB 2.406 40.415 38.000 0.014 0.000 1.238 285 I HN -0.129 nan 8.210 nan 0.000 0.445 286 P HA -0.212 nan 4.420 nan 0.000 0.220 286 P C 1.499 178.846 177.300 0.078 0.000 1.155 286 P CA 1.417 64.538 63.100 0.035 0.000 0.880 286 P CB 0.221 31.941 31.700 0.032 0.000 0.790 287 I N -3.355 117.264 120.570 0.081 0.000 3.918 287 I HA -0.399 3.771 4.170 -0.001 0.000 0.140 287 I C 1.489 177.669 176.117 0.104 0.000 0.414 287 I CA 2.102 63.459 61.300 0.095 0.000 1.224 287 I CB -2.091 35.956 38.000 0.078 0.000 1.076 287 I HN 0.098 nan 8.210 nan 0.000 0.213 288 A N -0.215 122.681 122.820 0.128 0.000 1.993 288 A HA 0.063 4.382 4.320 -0.001 0.000 0.207 288 A C 2.132 179.816 177.584 0.167 0.000 1.224 288 A CA 0.939 53.062 52.037 0.142 0.000 0.749 288 A CB -0.338 18.775 19.000 0.189 0.000 0.884 288 A HN 0.531 nan 8.150 nan 0.000 0.467 289 M N 0.454 120.172 119.600 0.197 0.000 2.252 289 M HA -0.122 4.357 4.480 -0.001 0.000 0.257 289 M C -1.268 175.111 176.300 0.132 0.000 1.077 289 M CA 2.218 57.627 55.300 0.182 0.000 1.066 289 M CB -0.826 31.847 32.600 0.121 0.000 1.380 289 M HN 0.164 nan 8.290 nan 0.000 0.412 290 P HA 0.053 nan 4.420 nan 0.000 0.217 290 P C 0.991 178.356 177.300 0.108 0.000 1.154 290 P CA 1.446 64.614 63.100 0.114 0.000 0.841 290 P CB 0.095 31.873 31.700 0.131 0.000 0.790 291 T N -1.037 113.574 114.554 0.095 0.000 3.021 291 T HA 0.001 4.350 4.350 -0.001 0.000 0.245 291 T C 1.785 176.505 174.700 0.034 0.000 1.028 291 T CA 0.957 63.097 62.100 0.067 0.000 1.139 291 T CB -1.012 67.881 68.868 0.041 0.000 0.884 291 T HN -0.108 nan 8.240 nan 0.000 0.457 292 V N 1.928 121.853 119.914 0.018 0.000 2.214 292 V HA -0.162 3.958 4.120 -0.001 0.000 0.244 292 V C 2.364 178.417 176.094 -0.067 0.000 1.045 292 V CA 1.570 63.810 62.300 -0.100 0.000 0.993 292 V CB -1.604 30.034 31.823 -0.308 0.000 0.633 292 V HN 0.372 nan 8.190 nan 0.000 0.449 293 L N 1.009 122.250 121.223 0.031 0.000 2.151 293 L HA -0.240 4.100 4.340 -0.001 0.000 0.215 293 L C 2.980 179.886 176.870 0.059 0.000 1.084 293 L CA 2.095 56.981 54.840 0.075 0.000 0.764 293 L CB -0.750 41.397 42.059 0.147 0.000 0.891 293 L HN 0.666 nan 8.230 nan 0.000 0.435 294 S N -0.175 115.560 115.700 0.058 0.000 2.335 294 S HA -0.146 4.323 4.470 -0.001 0.000 0.217 294 S C 2.031 176.656 174.600 0.041 0.000 1.032 294 S CA 1.452 59.690 58.200 0.062 0.000 0.985 294 S CB -0.358 62.886 63.200 0.073 0.000 0.896 294 S HN 0.316 nan 8.310 nan 0.000 0.445 295 V N 0.499 120.425 119.914 0.021 0.000 2.261 295 V HA -0.072 4.047 4.120 -0.001 0.000 0.246 295 V C 2.588 178.684 176.094 0.003 0.000 1.047 295 V CA 2.677 64.984 62.300 0.011 0.000 1.015 295 V CB -2.252 29.568 31.823 -0.004 0.000 0.642 295 V HN 0.678 nan 8.190 nan 0.000 0.446 296 T N -1.387 113.152 114.554 -0.026 0.000 2.918 296 T HA -0.218 4.132 4.350 -0.001 0.000 0.271 296 T C 1.592 176.303 174.700 0.018 0.000 1.104 296 T CA 2.382 64.468 62.100 -0.023 0.000 1.114 296 T CB -0.482 68.344 68.868 -0.069 0.000 0.855 296 T HN 0.587 nan 8.240 nan 0.000 0.518 297 M N -0.991 118.629 119.600 0.034 0.000 2.337 297 M HA 0.468 4.948 4.480 -0.001 0.000 0.256 297 M C 1.781 178.111 176.300 0.051 0.000 1.075 297 M CA 0.254 55.587 55.300 0.056 0.000 1.024 297 M CB 0.309 32.953 32.600 0.073 0.000 1.429 297 M HN 0.336 nan 8.290 nan 0.000 0.497 298 A N -0.533 122.312 122.820 0.041 0.000 2.229 298 A HA 0.193 4.512 4.320 -0.001 0.000 0.211 298 A C 1.440 179.042 177.584 0.029 0.000 1.193 298 A CA 0.141 52.195 52.037 0.029 0.000 0.879 298 A CB -0.023 18.992 19.000 0.026 0.000 0.911 298 A HN 0.418 nan 8.150 nan 0.000 0.492 299 I N -0.203 120.394 120.570 0.044 0.000 3.603 299 I HA 0.132 4.301 4.170 -0.001 0.000 0.297 299 I C 2.117 178.279 176.117 0.075 0.000 1.269 299 I CA 0.877 62.218 61.300 0.068 0.000 1.361 299 I CB 0.010 38.040 38.000 0.050 0.000 1.063 299 I HN 0.218 nan 8.210 nan 0.000 0.448 300 G N -0.757 108.078 108.800 0.058 0.000 2.403 300 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.216 300 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.216 300 G C 1.742 176.681 174.900 0.064 0.000 1.154 300 G CA 0.859 45.995 45.100 0.061 0.000 0.784 300 G HN 0.437 nan 8.290 nan 0.000 0.538 301 S N -0.148 115.582 115.700 0.050 0.000 2.365 301 S HA -0.261 4.208 4.470 -0.001 0.000 0.225 301 S C 2.203 176.842 174.600 0.065 0.000 1.039 301 S CA 1.893 60.111 58.200 0.030 0.000 1.033 301 S CB -0.576 62.616 63.200 -0.015 0.000 0.887 301 S HN 0.471 nan 8.310 nan 0.000 0.447 302 H N 2.600 121.680 119.070 0.016 0.000 2.256 302 H HA 0.037 4.593 4.556 -0.001 0.000 0.299 302 H C 2.402 177.737 175.328 0.012 0.000 1.071 302 H CA 2.072 58.128 56.048 0.013 0.000 1.280 302 H CB -0.473 29.296 29.762 0.012 0.000 1.370 302 H HN 0.584 nan 8.280 nan 0.000 0.490 303 R N 0.151 120.743 120.500 0.153 0.000 2.303 303 R HA -0.099 4.241 4.340 -0.001 0.000 0.225 303 R C 1.999 178.339 176.300 0.067 0.000 1.114 303 R CA 0.580 56.723 56.100 0.072 0.000 1.007 303 R CB -0.295 30.031 30.300 0.044 0.000 0.861 303 R HN 0.191 nan 8.270 nan 0.000 0.471 304 L N 1.878 123.148 121.223 0.078 0.000 1.960 304 L HA -0.053 4.286 4.340 -0.001 0.000 0.209 304 L C 1.670 178.573 176.870 0.056 0.000 1.090 304 L CA 2.087 56.959 54.840 0.054 0.000 0.759 304 L CB -1.247 40.838 42.059 0.044 0.000 0.892 304 L HN 0.198 nan 8.230 nan 0.000 0.436 305 S N -0.440 115.301 115.700 0.068 0.000 2.751 305 S HA -0.139 4.331 4.470 -0.001 0.000 0.248 305 S C 1.303 175.952 174.600 0.082 0.000 0.979 305 S CA 0.510 58.750 58.200 0.066 0.000 0.987 305 S CB -0.495 62.739 63.200 0.058 0.000 0.777 305 S HN 0.561 nan 8.310 nan 0.000 0.544 306 Q N -0.441 119.401 119.800 0.071 0.000 2.245 306 Q HA 0.204 4.543 4.340 -0.001 0.000 0.236 306 Q C 1.838 177.855 176.000 0.028 0.000 0.842 306 Q CA -0.022 55.809 55.803 0.047 0.000 0.945 306 Q CB 0.153 28.908 28.738 0.028 0.000 1.122 306 Q HN 0.616 nan 8.270 nan 0.000 0.506 307 Q N -0.949 118.868 119.800 0.028 0.000 2.302 307 Q HA 0.015 4.354 4.340 -0.001 0.000 0.202 307 Q C 1.010 177.019 176.000 0.015 0.000 0.936 307 Q CA 1.129 56.943 55.803 0.018 0.000 0.886 307 Q CB 0.592 29.341 28.738 0.018 0.000 0.986 307 Q HN 0.439 nan 8.270 nan 0.000 0.487 308 G N -0.605 108.206 108.800 0.018 0.000 3.514 308 G HA2 -0.117 3.842 3.960 -0.001 0.000 0.197 308 G HA3 -0.117 3.842 3.960 -0.001 0.000 0.197 308 G C -0.219 174.689 174.900 0.014 0.000 1.098 308 G CA -0.247 44.861 45.100 0.014 0.000 0.884 308 G HN 0.399 nan 8.290 nan 0.000 0.433 309 A N 1.371 124.199 122.820 0.013 0.000 2.309 309 A HA 0.761 5.080 4.320 -0.001 0.000 0.290 309 A C 0.672 178.265 177.584 0.014 0.000 1.206 309 A CA -0.256 51.787 52.037 0.011 0.000 0.850 309 A CB 0.085 19.089 19.000 0.006 0.000 1.118 309 A HN 0.477 nan 8.150 nan 0.000 0.523 310 I N 0.678 121.254 120.570 0.010 0.000 3.488 310 I HA 0.413 4.582 4.170 -0.001 0.000 0.259 310 I C 1.006 177.125 176.117 0.004 0.000 1.247 310 I CA -0.165 61.139 61.300 0.007 0.000 0.812 310 I CB 1.072 39.074 38.000 0.003 0.000 1.672 310 I HN 0.615 nan 8.210 nan 0.000 0.819 311 T N -0.543 114.011 114.554 -0.000 0.000 2.883 311 T HA 0.308 4.657 4.350 -0.001 0.000 0.301 311 T C -0.027 174.675 174.700 0.003 0.000 1.158 311 T CA -0.529 61.572 62.100 0.002 0.000 1.007 311 T CB 1.914 70.784 68.868 0.004 0.000 1.186 311 T HN 0.531 nan 8.240 nan 0.000 0.499 312 K N 1.591 121.996 120.400 0.009 0.000 2.266 312 K HA 0.401 4.720 4.320 -0.001 0.000 0.209 312 K C 0.416 177.033 176.600 0.029 0.000 1.065 312 K CA 0.793 57.089 56.287 0.014 0.000 0.946 312 K CB 0.440 32.949 32.500 0.015 0.000 1.069 312 K HN 0.487 nan 8.250 nan 0.000 0.472 313 R N 1.902 122.425 120.500 0.038 0.000 2.629 313 R HA 0.198 4.537 4.340 -0.001 0.000 0.277 313 R C 0.815 177.141 176.300 0.044 0.000 1.637 313 R CA -0.107 56.038 56.100 0.075 0.000 1.663 313 R CB 0.755 31.129 30.300 0.124 0.000 1.228 313 R HN 0.297 nan 8.270 nan 0.000 0.632 314 M N -0.991 118.629 119.600 0.033 0.000 2.413 314 M HA -0.161 4.318 4.480 -0.001 0.000 0.258 314 M C 0.355 176.650 176.300 -0.009 0.000 1.081 314 M CA 1.913 57.221 55.300 0.013 0.000 1.047 314 M CB -1.015 31.598 32.600 0.022 0.000 1.390 314 M HN 0.109 nan 8.290 nan 0.000 0.438 315 T N 1.873 116.415 114.554 -0.020 0.000 2.849 315 T HA 0.000 4.350 4.350 -0.001 0.000 0.270 315 T C 1.904 176.489 174.700 -0.193 0.000 1.066 315 T CA 1.728 63.752 62.100 -0.127 0.000 1.130 315 T CB -0.534 68.117 68.868 -0.361 0.000 0.864 315 T HN 0.709 nan 8.240 nan 0.000 0.481 316 A N 1.034 123.754 122.820 -0.167 0.000 2.239 316 A HA 0.102 4.422 4.320 -0.001 0.000 0.209 316 A C 1.764 179.278 177.584 -0.117 0.000 1.171 316 A CA 0.392 52.329 52.037 -0.166 0.000 0.768 316 A CB -0.669 18.258 19.000 -0.120 0.000 0.790 316 A HN 0.370 nan 8.150 nan 0.000 0.478 317 I N 0.135 120.661 120.570 -0.074 0.000 2.830 317 I HA -0.120 4.049 4.170 -0.001 0.000 0.263 317 I C 2.162 178.241 176.117 -0.064 0.000 1.230 317 I CA 0.816 62.090 61.300 -0.043 0.000 1.480 317 I CB -1.055 36.948 38.000 0.006 0.000 1.095 317 I HN 0.447 nan 8.210 nan 0.000 0.455 318 E N 1.173 121.328 120.200 -0.075 0.000 2.338 318 E HA -0.185 4.165 4.350 -0.001 0.000 0.197 318 E C 1.421 177.870 176.600 -0.252 0.000 1.007 318 E CA 0.801 57.129 56.400 -0.120 0.000 0.849 318 E CB 0.389 30.084 29.700 -0.009 0.000 0.774 318 E HN 0.513 nan 8.360 nan 0.000 0.506 319 E N -0.387 119.697 120.200 -0.193 0.000 2.276 319 E HA -0.008 4.342 4.350 -0.001 0.000 0.193 319 E C 1.912 178.420 176.600 -0.154 0.000 0.983 319 E CA 0.105 56.395 56.400 -0.182 0.000 0.861 319 E CB -0.031 29.574 29.700 -0.158 0.000 0.817 319 E HN 0.279 nan 8.360 nan 0.000 0.485 320 M N 0.441 119.965 119.600 -0.126 0.000 2.460 320 M HA 0.003 4.482 4.480 -0.001 0.000 0.263 320 M C 1.968 178.201 176.300 -0.112 0.000 1.071 320 M CA 0.716 55.961 55.300 -0.092 0.000 1.096 320 M CB -0.791 31.775 32.600 -0.057 0.000 1.408 320 M HN 0.009 nan 8.290 nan 0.000 0.463 321 A N -0.486 122.217 122.820 -0.196 0.000 2.095 321 A HA 0.343 4.663 4.320 -0.001 0.000 0.212 321 A C 2.289 179.729 177.584 -0.241 0.000 1.162 321 A CA 1.003 52.895 52.037 -0.242 0.000 0.753 321 A CB -0.663 18.050 19.000 -0.478 0.000 0.840 321 A HN 0.470 nan 8.150 nan 0.000 0.468 322 G N -1.581 107.073 108.800 -0.243 0.000 2.603 322 G HA2 0.106 4.066 3.960 -0.001 0.000 0.214 322 G HA3 0.106 4.066 3.960 -0.001 0.000 0.214 322 G C 0.812 175.643 174.900 -0.114 0.000 1.140 322 G CA -0.182 44.812 45.100 -0.175 0.000 0.800 322 G HN 0.261 nan 8.290 nan 0.000 0.533 323 M N 2.469 122.008 119.600 -0.101 0.000 3.364 323 M HA -0.105 4.374 4.480 -0.001 0.000 0.353 323 M C 1.237 177.507 176.300 -0.050 0.000 1.817 323 M CA 0.420 55.681 55.300 -0.064 0.000 1.564 323 M CB -0.675 31.893 32.600 -0.054 0.000 1.730 323 M HN 0.344 nan 8.290 nan 0.000 0.487 324 D N 1.571 121.940 120.400 -0.053 0.000 2.156 324 D HA -0.141 4.498 4.640 -0.001 0.000 0.190 324 D C 0.338 176.636 176.300 -0.003 0.000 0.998 324 D CA 1.451 55.416 54.000 -0.059 0.000 0.842 324 D CB 0.472 41.203 40.800 -0.114 0.000 0.974 324 D HN 0.391 nan 8.370 nan 0.000 0.447 325 V N 1.399 121.337 119.914 0.040 0.000 2.577 325 V HA 0.354 4.474 4.120 -0.001 0.000 0.294 325 V C -0.989 175.123 176.094 0.030 0.000 1.052 325 V CA -0.833 61.494 62.300 0.046 0.000 0.891 325 V CB 1.346 33.226 31.823 0.094 0.000 1.017 325 V HN 0.143 nan 8.190 nan 0.000 0.436 326 L N 8.229 129.455 121.223 0.004 0.000 2.331 326 L HA 0.732 5.071 4.340 -0.001 0.000 0.278 326 L C 0.178 177.038 176.870 -0.017 0.000 1.106 326 L CA -0.076 54.762 54.840 -0.004 0.000 0.824 326 L CB 0.755 42.806 42.059 -0.014 0.000 1.142 326 L HN 0.997 nan 8.230 nan 0.000 0.443 327 C N 2.631 121.922 119.300 -0.016 0.000 2.355 327 C HA 0.834 5.293 4.460 -0.001 0.000 0.332 327 C C 0.266 175.233 174.990 -0.038 0.000 1.255 327 C CA -0.718 58.272 59.018 -0.047 0.000 1.792 327 C CB 0.539 28.248 27.740 -0.052 0.000 2.300 327 C HN 0.877 nan 8.230 nan 0.000 0.515 328 S N 1.609 117.274 115.700 -0.059 0.000 2.648 328 S HA 0.585 5.055 4.470 -0.001 0.000 0.305 328 S C -0.763 173.809 174.600 -0.046 0.000 1.094 328 S CA -0.348 57.826 58.200 -0.043 0.000 0.983 328 S CB 1.128 64.302 63.200 -0.044 0.000 1.101 328 S HN 0.858 nan 8.310 nan 0.000 0.514 329 D N 2.219 122.602 120.400 -0.028 0.000 2.304 329 D HA 0.229 4.868 4.640 -0.001 0.000 0.247 329 D C 0.843 177.123 176.300 -0.033 0.000 1.089 329 D CA -0.311 53.674 54.000 -0.024 0.000 0.910 329 D CB 1.145 41.938 40.800 -0.012 0.000 1.199 329 D HN 0.551 nan 8.370 nan 0.000 0.426 330 K N 0.655 121.036 120.400 -0.033 0.000 1.978 330 K HA -0.066 4.254 4.320 -0.001 0.000 0.221 330 K C 0.358 176.937 176.600 -0.034 0.000 1.036 330 K CA 0.885 57.151 56.287 -0.035 0.000 0.996 330 K CB -0.303 32.179 32.500 -0.030 0.000 0.755 330 K HN 0.470 nan 8.250 nan 0.000 0.445 331 T N -0.452 114.084 114.554 -0.029 0.000 2.791 331 T HA 0.143 4.492 4.350 -0.001 0.000 0.323 331 T C 0.945 175.630 174.700 -0.026 0.000 1.082 331 T CA 0.397 62.479 62.100 -0.030 0.000 1.084 331 T CB 0.256 69.112 68.868 -0.021 0.000 0.992 331 T HN 0.622 nan 8.240 nan 0.000 0.547 332 G N 0.495 109.279 108.800 -0.027 0.000 2.244 332 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.274 332 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.274 332 G C 0.496 175.383 174.900 -0.022 0.000 1.002 332 G CA 1.053 46.141 45.100 -0.020 0.000 0.740 332 G HN 0.933 nan 8.290 nan 0.000 0.516 333 T N -1.656 112.880 114.554 -0.030 0.000 3.360 333 T HA 0.113 4.462 4.350 -0.001 0.000 0.092 333 T C 1.463 176.137 174.700 -0.043 0.000 0.661 333 T CA 0.233 62.314 62.100 -0.033 0.000 0.607 333 T CB -0.557 68.295 68.868 -0.027 0.000 1.125 333 T HN 0.439 nan 8.240 nan 0.000 0.226 334 L N 2.731 123.928 121.223 -0.043 0.000 2.357 334 L HA 0.056 4.395 4.340 -0.001 0.000 0.220 334 L C 0.848 177.687 176.870 -0.053 0.000 1.123 334 L CA 1.749 56.560 54.840 -0.049 0.000 0.782 334 L CB -0.696 41.333 42.059 -0.049 0.000 0.910 334 L HN 0.782 nan 8.230 nan 0.000 0.442 335 T N -6.822 107.700 114.554 -0.054 0.000 2.841 335 T HA 0.245 4.595 4.350 -0.001 0.000 0.296 335 T C 0.576 175.237 174.700 -0.064 0.000 1.166 335 T CA -0.447 61.614 62.100 -0.065 0.000 1.007 335 T CB 0.777 69.600 68.868 -0.075 0.000 1.253 335 T HN -0.059 nan 8.240 nan 0.000 0.511 336 L N 1.091 122.267 121.223 -0.078 0.000 2.275 336 L HA 0.102 4.442 4.340 -0.001 0.000 0.215 336 L C 1.061 177.894 176.870 -0.062 0.000 1.119 336 L CA 1.408 56.209 54.840 -0.066 0.000 0.790 336 L CB -0.652 41.364 42.059 -0.073 0.000 0.919 336 L HN 1.093 nan 8.230 nan 0.000 0.443 337 N N 0.592 119.247 118.700 -0.076 0.000 2.681 337 N HA -0.254 4.485 4.740 -0.001 0.000 0.259 337 N C -0.727 174.748 175.510 -0.059 0.000 1.066 337 N CA 0.861 53.875 53.050 -0.060 0.000 0.717 337 N CB -0.937 37.530 38.487 -0.033 0.000 0.885 337 N HN 0.315 nan 8.380 nan 0.000 0.547 338 K N 1.299 121.646 120.400 -0.088 0.000 2.615 338 K HA 0.529 4.848 4.320 -0.001 0.000 0.249 338 K C -1.287 175.254 176.600 -0.098 0.000 0.977 338 K CA -0.548 55.695 56.287 -0.073 0.000 0.833 338 K CB 0.752 33.214 32.500 -0.062 0.000 1.208 338 K HN 0.237 nan 8.250 nan 0.000 0.443 339 L N 1.495 122.685 121.223 -0.055 0.000 2.344 339 L HA 0.767 5.106 4.340 -0.001 0.000 0.272 339 L C -0.334 176.540 176.870 0.007 0.000 1.035 339 L CA -0.718 54.104 54.840 -0.030 0.000 0.807 339 L CB 2.113 44.169 42.059 -0.005 0.000 1.237 339 L HN 0.534 nan 8.230 nan 0.000 0.442 340 S N 0.258 115.989 115.700 0.051 0.000 2.570 340 S HA 0.525 4.994 4.470 -0.001 0.000 0.286 340 S C -0.908 173.743 174.600 0.084 0.000 1.143 340 S CA -0.671 57.563 58.200 0.057 0.000 0.921 340 S CB 1.868 65.098 63.200 0.049 0.000 1.108 340 S HN 0.272 nan 8.310 nan 0.000 0.456 341 V N 3.385 123.320 119.914 0.035 0.000 2.732 341 V HA 0.612 4.731 4.120 -0.001 0.000 0.310 341 V C -0.362 175.719 176.094 -0.021 0.000 1.053 341 V CA -0.801 61.500 62.300 0.001 0.000 0.957 341 V CB 1.909 33.717 31.823 -0.025 0.000 1.018 341 V HN 0.955 nan 8.190 nan 0.000 0.452 342 D N 2.162 122.528 120.400 -0.057 0.000 2.616 342 D HA 0.374 5.013 4.640 -0.001 0.000 0.260 342 D C -0.398 175.861 176.300 -0.068 0.000 1.158 342 D CA -1.013 52.949 54.000 -0.062 0.000 1.085 342 D CB 0.835 41.585 40.800 -0.083 0.000 1.222 342 D HN 0.100 nan 8.370 nan 0.000 0.626 343 K N -0.214 120.150 120.400 -0.060 0.000 2.997 343 K HA 0.270 4.590 4.320 -0.001 0.000 0.249 343 K C -0.777 175.790 176.600 -0.055 0.000 1.284 343 K CA -0.338 55.919 56.287 -0.050 0.000 1.245 343 K CB -1.104 31.375 32.500 -0.035 0.000 1.670 343 K HN 0.325 nan 8.250 nan 0.000 0.385 344 N N 0.406 119.059 118.700 -0.079 0.000 2.451 344 N HA 0.131 4.870 4.740 -0.001 0.000 0.271 344 N C -0.657 174.811 175.510 -0.069 0.000 1.410 344 N CA -0.540 52.459 53.050 -0.085 0.000 0.884 344 N CB 0.026 38.428 38.487 -0.142 0.000 1.332 344 N HN 0.100 nan 8.380 nan 0.000 0.498 345 L N -1.571 119.638 121.223 -0.023 0.000 2.307 345 L HA 0.842 5.181 4.340 -0.001 0.000 0.284 345 L C 0.155 177.063 176.870 0.064 0.000 1.023 345 L CA -1.319 53.554 54.840 0.055 0.000 0.810 345 L CB 1.017 43.084 42.059 0.012 0.000 1.231 345 L HN -0.089 nan 8.230 nan 0.000 0.423 346 V N 0.465 120.446 119.914 0.111 0.000 3.336 346 V HA 0.675 4.795 4.120 -0.001 0.000 0.304 346 V C -0.075 176.045 176.094 0.043 0.000 1.073 346 V CA -0.310 62.032 62.300 0.070 0.000 1.074 346 V CB 1.249 33.120 31.823 0.079 0.000 1.161 346 V HN 1.050 nan 8.190 nan 0.000 0.460 347 E N 1.312 121.539 120.200 0.044 0.000 2.621 347 E HA 0.239 4.588 4.350 -0.001 0.000 0.263 347 E C -0.009 176.645 176.600 0.089 0.000 1.033 347 E CA -0.409 56.018 56.400 0.044 0.000 0.778 347 E CB 0.853 30.575 29.700 0.037 0.000 1.426 347 E HN 0.670 nan 8.360 nan 0.000 0.394 348 V N 0.802 120.795 119.914 0.131 0.000 3.078 348 V HA 0.030 4.149 4.120 -0.001 0.000 0.265 348 V C 1.375 177.618 176.094 0.247 0.000 1.122 348 V CA 0.666 63.084 62.300 0.198 0.000 1.141 348 V CB -1.334 30.674 31.823 0.307 0.000 0.735 348 V HN 0.396 nan 8.190 nan 0.000 0.498 349 F N -0.114 119.870 119.950 0.056 0.000 2.407 349 F HA 0.599 5.126 4.527 -0.001 0.000 0.181 349 F C 0.694 176.511 175.800 0.029 0.000 0.769 349 F CA -0.984 57.045 58.000 0.048 0.000 1.031 349 F CB 0.606 39.616 39.000 0.016 0.000 2.270 349 F HN 0.034 nan 8.300 nan 0.000 0.702 350 C N 2.983 122.068 119.300 -0.360 0.000 2.854 350 C HA 0.430 4.889 4.460 -0.001 0.000 0.389 350 C C -1.472 173.386 174.990 -0.221 0.000 0.915 350 C CA -0.772 58.072 59.018 -0.290 0.000 1.236 350 C CB -1.017 26.513 27.740 -0.350 0.000 1.505 350 C HN 0.633 nan 8.230 nan 0.000 0.542 351 K N 2.181 122.592 120.400 0.020 0.000 2.946 351 K HA 0.362 4.682 4.320 -0.001 0.000 0.335 351 K C -0.007 176.653 176.600 0.100 0.000 1.251 351 K CA 0.799 57.125 56.287 0.066 0.000 1.007 351 K CB 0.119 32.686 32.500 0.113 0.000 1.323 351 K HN 2.083 nan 8.250 nan 0.000 0.419 352 G N 2.648 111.478 108.800 0.048 0.000 2.367 352 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.295 352 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.295 352 G C 0.228 175.146 174.900 0.031 0.000 1.019 352 G CA 0.234 45.353 45.100 0.032 0.000 1.224 352 G HN 0.757 nan 8.290 nan 0.000 0.510 353 V N -0.239 119.689 119.914 0.023 0.000 3.209 353 V HA 0.124 4.243 4.120 -0.001 0.000 0.305 353 V C 1.848 177.946 176.094 0.006 0.000 1.127 353 V CA 1.013 63.324 62.300 0.018 0.000 1.235 353 V CB 0.036 31.865 31.823 0.009 0.000 0.987 353 V HN 0.880 nan 8.190 nan 0.000 0.499 354 E N 1.246 121.446 120.200 0.000 0.000 3.549 354 E HA -0.399 3.950 4.350 -0.001 0.000 0.447 354 E C 1.913 178.504 176.600 -0.015 0.000 1.471 354 E CA 2.366 58.758 56.400 -0.013 0.000 1.397 354 E CB -0.670 29.022 29.700 -0.013 0.000 1.307 354 E HN 0.741 nan 8.360 nan 0.000 0.346 355 K N 0.527 120.920 120.400 -0.012 0.000 2.163 355 K HA -0.258 4.061 4.320 -0.001 0.000 0.210 355 K C 1.634 178.230 176.600 -0.007 0.000 1.048 355 K CA 2.198 58.479 56.287 -0.010 0.000 0.928 355 K CB -0.477 32.018 32.500 -0.008 0.000 0.716 355 K HN 0.270 nan 8.250 nan 0.000 0.459 356 D N 0.117 120.514 120.400 -0.005 0.000 2.083 356 D HA -0.170 4.470 4.640 -0.001 0.000 0.199 356 D C 1.936 178.234 176.300 -0.003 0.000 0.980 356 D CA 1.050 55.047 54.000 -0.004 0.000 0.851 356 D CB -0.467 40.333 40.800 -0.001 0.000 0.997 356 D HN 0.184 nan 8.370 nan 0.000 0.449 357 Q N 1.093 120.888 119.800 -0.009 0.000 2.188 357 Q HA -0.277 4.062 4.340 -0.001 0.000 0.217 357 Q C 2.130 178.138 176.000 0.014 0.000 1.018 357 Q CA 3.115 58.906 55.803 -0.021 0.000 0.910 357 Q CB -0.548 28.156 28.738 -0.057 0.000 0.979 357 Q HN 0.336 nan 8.270 nan 0.000 0.413 358 V N -0.979 118.938 119.914 0.005 0.000 2.216 358 V HA -0.275 3.845 4.120 -0.001 0.000 0.243 358 V C 2.737 178.912 176.094 0.136 0.000 1.044 358 V CA 2.034 64.371 62.300 0.061 0.000 0.995 358 V CB -1.297 30.536 31.823 0.018 0.000 0.633 358 V HN 0.327 nan 8.190 nan 0.000 0.446 359 L N -0.349 120.906 121.223 0.055 0.000 2.051 359 L HA -0.226 4.113 4.340 -0.001 0.000 0.214 359 L C 2.685 179.552 176.870 -0.005 0.000 1.076 359 L CA 2.092 56.944 54.840 0.020 0.000 0.758 359 L CB -0.609 41.448 42.059 -0.003 0.000 0.890 359 L HN 0.339 nan 8.230 nan 0.000 0.433 360 L N -1.622 119.603 121.223 0.003 0.000 1.970 360 L HA -0.285 4.055 4.340 -0.001 0.000 0.212 360 L C 2.431 179.274 176.870 -0.045 0.000 1.071 360 L CA 1.685 56.506 54.840 -0.030 0.000 0.751 360 L CB -0.862 41.187 42.059 -0.017 0.000 0.889 360 L HN 0.182 nan 8.230 nan 0.000 0.432 361 F N 1.071 120.947 119.950 -0.122 0.000 2.008 361 F HA -0.355 4.171 4.527 -0.001 0.000 0.297 361 F C 2.483 178.212 175.800 -0.119 0.000 1.156 361 F CA 1.773 59.696 58.000 -0.127 0.000 1.191 361 F CB -0.683 38.247 39.000 -0.116 0.000 0.955 361 F HN 0.009 nan 8.300 nan 0.000 0.497 362 A N 0.643 123.293 122.820 -0.284 0.000 1.986 362 A HA -0.158 4.162 4.320 -0.001 0.000 0.220 362 A C 2.401 179.772 177.584 -0.355 0.000 1.171 362 A CA 2.192 53.976 52.037 -0.422 0.000 0.640 362 A CB -1.772 17.216 19.000 -0.020 0.000 0.811 362 A HN 0.773 nan 8.150 nan 0.000 0.451 363 A N -0.639 122.023 122.820 -0.264 0.000 1.903 363 A HA -0.204 4.116 4.320 -0.001 0.000 0.219 363 A C 2.164 179.555 177.584 -0.322 0.000 1.191 363 A CA 2.125 54.007 52.037 -0.258 0.000 0.638 363 A CB -0.452 18.386 19.000 -0.270 0.000 0.823 363 A HN 0.559 nan 8.150 nan 0.000 0.451 364 M N -1.263 118.098 119.600 -0.398 0.000 2.441 364 M HA 0.208 4.688 4.480 -0.001 0.000 0.244 364 M C 1.726 177.797 176.300 -0.381 0.000 1.122 364 M CA 0.579 55.666 55.300 -0.355 0.000 1.041 364 M CB 0.348 32.753 32.600 -0.325 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 -0.617 0.000 2.238 365 A HA 0.281 4.601 4.320 -0.001 0.000 0.208 365 A C 0.733 178.098 177.584 -0.365 0.000 1.177 365 A CA 0.596 52.192 52.037 -0.735 0.000 0.804 365 A CB 0.021 18.018 19.000 -1.671 0.000 0.823 365 A HN 0.390 nan 8.150 nan 0.000 0.482 366 S N -1.017 114.537 115.700 -0.242 0.000 2.752 366 S HA 0.264 4.733 4.470 -0.001 0.000 0.279 366 S C -0.280 174.264 174.600 -0.094 0.000 0.949 366 S CA -0.405 57.717 58.200 -0.130 0.000 0.916 366 S CB 0.193 63.323 63.200 -0.116 0.000 1.157 366 S HN 0.813 nan 8.310 nan 0.000 0.459 367 R N 2.060 122.530 120.500 -0.051 0.000 2.896 367 R HA 0.495 4.834 4.340 -0.001 0.000 0.258 367 R C 1.692 177.962 176.300 -0.050 0.000 1.240 367 R CA 0.277 56.355 56.100 -0.036 0.000 1.109 367 R CB -1.138 29.136 30.300 -0.043 0.000 1.081 367 R HN 1.064 nan 8.270 nan 0.000 0.562 368 V N -1.640 118.246 119.914 -0.047 0.000 2.251 368 V HA -0.057 4.062 4.120 -0.001 0.000 0.237 368 V C 1.354 177.428 176.094 -0.033 0.000 1.040 368 V CA 1.079 63.354 62.300 -0.042 0.000 1.005 368 V CB -1.196 30.603 31.823 -0.039 0.000 0.645 368 V HN 0.840 nan 8.190 nan 0.000 0.458 369 E N 0.482 120.659 120.200 -0.038 0.000 2.342 369 E HA 0.116 4.465 4.350 -0.001 0.000 0.257 369 E C 0.017 176.618 176.600 0.001 0.000 1.150 369 E CA -0.030 56.360 56.400 -0.017 0.000 0.926 369 E CB 0.387 30.074 29.700 -0.023 0.000 1.074 369 E HN 0.517 nan 8.360 nan 0.000 0.449 370 N N -0.497 118.229 118.700 0.044 0.000 2.815 370 N HA -0.222 4.517 4.740 -0.001 0.000 0.247 370 N C -0.518 175.030 175.510 0.063 0.000 1.030 370 N CA 1.040 54.141 53.050 0.085 0.000 0.881 370 N CB -0.474 38.095 38.487 0.137 0.000 1.134 370 N HN 0.559 nan 8.380 nan 0.000 0.582 371 Q N 1.024 120.844 119.800 0.034 0.000 2.204 371 Q HA 0.281 4.620 4.340 -0.001 0.000 0.254 371 Q C -0.568 175.449 176.000 0.029 0.000 0.981 371 Q CA -0.428 55.392 55.803 0.029 0.000 0.897 371 Q CB 0.844 29.584 28.738 0.002 0.000 1.273 371 Q HN 0.032 nan 8.270 nan 0.000 0.464 372 D N 0.627 121.046 120.400 0.033 0.000 2.515 372 D HA -0.120 4.520 4.640 -0.001 0.000 0.230 372 D C 0.402 176.707 176.300 0.008 0.000 1.181 372 D CA 0.818 54.835 54.000 0.028 0.000 0.875 372 D CB 0.793 41.596 40.800 0.005 0.000 1.213 372 D HN 0.764 nan 8.370 nan 0.000 0.478 373 A N 3.241 126.066 122.820 0.009 0.000 1.948 373 A HA -0.201 4.118 4.320 -0.001 0.000 0.220 373 A C 2.187 179.769 177.584 -0.004 0.000 1.177 373 A CA 1.020 53.058 52.037 0.001 0.000 0.636 373 A CB -0.315 18.684 19.000 -0.002 0.000 0.815 373 A HN 0.616 nan 8.150 nan 0.000 0.449 374 I N 0.589 121.152 120.570 -0.011 0.000 2.179 374 I HA -0.199 3.970 4.170 -0.001 0.000 0.242 374 I C 1.158 177.278 176.117 0.006 0.000 1.088 374 I CA 1.648 62.944 61.300 -0.006 0.000 1.357 374 I CB -1.314 36.669 38.000 -0.028 0.000 1.051 374 I HN 0.329 nan 8.210 nan 0.000 0.409 375 D N 0.878 121.267 120.400 -0.018 0.000 2.378 375 D HA 0.021 4.661 4.640 -0.001 0.000 0.227 375 D C 1.851 178.141 176.300 -0.016 0.000 1.012 375 D CA 0.686 54.670 54.000 -0.026 0.000 0.905 375 D CB 0.226 40.991 40.800 -0.059 0.000 0.895 375 D HN 0.333 nan 8.370 nan 0.000 0.532 376 A N 0.463 123.281 122.820 -0.003 0.000 2.035 376 A HA 0.395 4.714 4.320 -0.001 0.000 0.208 376 A C 2.209 179.797 177.584 0.007 0.000 1.206 376 A CA 0.786 52.822 52.037 -0.001 0.000 0.773 376 A CB -0.054 18.947 19.000 0.001 0.000 0.878 376 A HN 0.174 nan 8.150 nan 0.000 0.469 377 A N 0.331 123.160 122.820 0.014 0.000 1.858 377 A HA -0.117 4.203 4.320 -0.001 0.000 0.216 377 A C 2.187 179.796 177.584 0.041 0.000 1.190 377 A CA 2.022 54.073 52.037 0.023 0.000 0.617 377 A CB -0.582 18.431 19.000 0.022 0.000 0.827 377 A HN 0.398 nan 8.150 nan 0.000 0.443 378 M N -0.409 119.236 119.600 0.076 0.000 2.082 378 M HA -0.143 4.336 4.480 -0.001 0.000 0.258 378 M C 2.286 178.626 176.300 0.067 0.000 1.071 378 M CA 1.923 57.301 55.300 0.130 0.000 1.103 378 M CB -1.739 31.030 32.600 0.282 0.000 1.307 378 M HN 0.355 nan 8.290 nan 0.000 0.409 379 V N 0.346 120.272 119.914 0.021 0.000 2.720 379 V HA -0.103 4.016 4.120 -0.001 0.000 0.256 379 V C 1.894 177.990 176.094 0.003 0.000 1.082 379 V CA 2.058 64.355 62.300 -0.004 0.000 1.101 379 V CB -1.037 30.771 31.823 -0.025 0.000 0.693 379 V HN 0.468 nan 8.190 nan 0.000 0.479 380 G N -1.183 107.623 108.800 0.010 0.000 2.679 380 G HA2 0.121 4.081 3.960 -0.001 0.000 0.185 380 G HA3 0.121 4.081 3.960 -0.001 0.000 0.185 380 G C 0.719 175.627 174.900 0.012 0.000 1.656 380 G CA 0.642 45.746 45.100 0.008 0.000 0.892 380 G HN 0.513 nan 8.290 nan 0.000 0.389 381 M N -1.701 117.908 119.600 0.016 0.000 7.319 381 M HA -0.227 4.252 4.480 -0.001 0.000 0.107 381 M C 1.424 177.729 176.300 0.007 0.000 0.480 381 M CA 1.274 56.582 55.300 0.014 0.000 1.311 381 M CB -0.901 31.712 32.600 0.023 0.000 0.421 381 M HN 0.169 nan 8.290 nan 0.000 0.160 382 L N 0.461 121.687 121.223 0.005 0.000 2.610 382 L HA 0.207 4.546 4.340 -0.001 0.000 0.232 382 L C 0.971 177.841 176.870 0.001 0.000 1.149 382 L CA 0.215 55.055 54.840 0.000 0.000 0.872 382 L CB -0.800 41.257 42.059 -0.003 0.000 0.992 382 L HN 0.699 nan 8.230 nan 0.000 0.447 383 A N 1.562 124.385 122.820 0.005 0.000 2.729 383 A HA 0.003 4.323 4.320 -0.001 0.000 0.291 383 A C 0.004 177.586 177.584 -0.004 0.000 1.574 383 A CA -0.423 51.616 52.037 0.002 0.000 1.194 383 A CB -0.943 18.061 19.000 0.007 0.000 1.047 383 A HN 0.314 nan 8.150 nan 0.000 0.578 384 D N 3.712 124.108 120.400 -0.006 0.000 2.515 384 D HA 0.037 4.677 4.640 -0.001 0.000 0.230 384 D C -1.479 174.815 176.300 -0.010 0.000 1.181 384 D CA -0.795 53.200 54.000 -0.007 0.000 0.875 384 D CB -0.439 40.356 40.800 -0.008 0.000 1.213 384 D HN 0.252 nan 8.370 nan 0.000 0.478 385 P HA -0.237 nan 4.420 nan 0.000 0.241 385 P C 0.399 177.690 177.300 -0.015 0.000 0.988 385 P CA 1.043 64.137 63.100 -0.011 0.000 1.078 385 P CB 0.113 31.807 31.700 -0.010 0.000 0.690 386 K N 0.242 120.633 120.400 -0.016 0.000 3.129 386 K HA 0.128 4.447 4.320 -0.001 0.000 0.241 386 K C 0.069 176.657 176.600 -0.020 0.000 1.239 386 K CA 0.373 56.648 56.287 -0.020 0.000 1.239 386 K CB -0.755 31.734 32.500 -0.019 0.000 1.347 386 K HN 0.409 nan 8.250 nan 0.000 0.435 387 E N 0.333 120.521 120.200 -0.020 0.000 2.542 387 E HA 0.228 4.578 4.350 -0.001 0.000 0.224 387 E C 0.060 176.645 176.600 -0.024 0.000 1.110 387 E CA -0.184 56.205 56.400 -0.018 0.000 1.350 387 E CB 0.817 30.508 29.700 -0.014 0.000 1.302 387 E HN 0.249 nan 8.360 nan 0.000 0.435 388 A N 0.868 123.668 122.820 -0.033 0.000 2.602 388 A HA 0.147 4.466 4.320 -0.001 0.000 0.238 388 A C 0.983 178.528 177.584 -0.064 0.000 0.863 388 A CA -0.477 51.531 52.037 -0.048 0.000 1.148 388 A CB 0.302 19.270 19.000 -0.053 0.000 1.227 388 A HN 0.032 nan 8.150 nan 0.000 0.460 389 R N 0.315 120.789 120.500 -0.044 0.000 2.240 389 R HA 0.357 4.696 4.340 -0.001 0.000 0.203 389 R C 0.952 177.237 176.300 -0.024 0.000 1.011 389 R CA 0.686 56.761 56.100 -0.042 0.000 1.007 389 R CB -0.912 29.374 30.300 -0.023 0.000 0.911 389 R HN 1.381 nan 8.270 nan 0.000 0.468 390 A N 1.315 124.131 122.820 -0.007 0.000 1.900 390 A HA -0.089 4.230 4.320 -0.001 0.000 0.251 390 A C 1.197 178.834 177.584 0.088 0.000 1.334 390 A CA 0.742 52.810 52.037 0.052 0.000 0.728 390 A CB -1.869 17.191 19.000 0.100 0.000 1.197 390 A HN 0.680 nan 8.150 nan 0.000 0.278 391 G N 1.357 110.188 108.800 0.051 0.000 2.572 391 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.547 391 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.547 391 G C 0.580 175.522 174.900 0.069 0.000 1.354 391 G CA 0.603 45.734 45.100 0.051 0.000 0.935 391 G HN 1.740 nan 8.290 nan 0.000 0.528 392 I N 1.642 122.258 120.570 0.078 0.000 2.696 392 I HA 0.554 4.724 4.170 -0.001 0.000 0.284 392 I C 0.847 177.034 176.117 0.116 0.000 1.129 392 I CA 0.754 62.102 61.300 0.079 0.000 1.410 392 I CB 0.678 38.720 38.000 0.070 0.000 1.399 392 I HN 1.067 nan 8.210 nan 0.000 0.579 393 R N 3.607 124.157 120.500 0.084 0.000 5.088 393 R HA 0.258 4.597 4.340 -0.001 0.000 0.249 393 R C -1.377 174.928 176.300 0.009 0.000 0.938 393 R CA -0.406 55.748 56.100 0.091 0.000 1.284 393 R CB 0.239 30.648 30.300 0.182 0.000 1.230 393 R HN 0.454 nan 8.270 nan 0.000 0.675 394 E N 1.813 122.007 120.200 -0.011 0.000 2.933 394 E HA 0.150 4.500 4.350 -0.001 0.000 0.175 394 E C -0.634 175.909 176.600 -0.095 0.000 0.932 394 E CA 0.296 56.653 56.400 -0.073 0.000 1.340 394 E CB 1.745 31.437 29.700 -0.014 0.000 1.025 394 E HN 0.449 nan 8.360 nan 0.000 0.461 395 V N 0.580 120.461 119.914 -0.055 0.000 2.277 395 V HA 0.399 4.519 4.120 -0.001 0.000 0.269 395 V C 0.168 176.209 176.094 -0.087 0.000 1.036 395 V CA -0.722 61.614 62.300 0.060 0.000 0.821 395 V CB 0.435 32.502 31.823 0.406 0.000 1.052 395 V HN 0.091 nan 8.190 nan 0.000 0.462 396 H N 4.809 123.656 119.070 -0.372 0.000 2.742 396 H HA 0.435 4.991 4.556 -0.001 0.000 0.302 396 H C -0.733 174.070 175.328 -0.876 0.000 1.069 396 H CA -0.195 55.609 56.048 -0.406 0.000 1.446 396 H CB 1.262 30.837 29.762 -0.313 0.000 1.462 396 H HN 0.761 nan 8.280 nan 0.000 0.499 397 F N 2.267 122.262 119.950 0.074 0.000 2.608 397 F HA 0.099 4.625 4.527 -0.001 0.000 0.383 397 F C 1.005 176.828 175.800 0.039 0.000 1.371 397 F CA -0.159 57.852 58.000 0.020 0.000 1.123 397 F CB 0.027 38.980 39.000 -0.078 0.000 1.207 397 F HN 0.277 nan 8.300 nan 0.000 0.512 398 L N -0.153 121.160 121.223 0.151 0.000 2.633 398 L HA 0.063 4.402 4.340 -0.001 0.000 0.235 398 L C -1.690 175.261 176.870 0.134 0.000 1.163 398 L CA -0.609 54.300 54.840 0.115 0.000 0.859 398 L CB -1.808 40.293 42.059 0.071 0.000 0.973 398 L HN -0.079 nan 8.230 nan 0.000 0.451 399 P HA -0.188 nan 4.420 nan 0.000 0.261 399 P C -0.583 176.858 177.300 0.234 0.000 1.140 399 P CA 1.081 64.271 63.100 0.150 0.000 0.757 399 P CB 0.045 31.826 31.700 0.136 0.000 0.735 400 F N 4.135 124.115 119.950 0.051 0.000 2.577 400 F HA 0.670 5.197 4.527 -0.001 0.000 0.318 400 F C -0.603 175.229 175.800 0.052 0.000 1.065 400 F CA -1.080 56.954 58.000 0.056 0.000 0.929 400 F CB 1.825 40.854 39.000 0.047 0.000 1.237 400 F HN 0.580 nan 8.300 nan 0.000 0.468 401 N N 2.348 120.501 118.700 -0.912 0.000 4.454 401 N HA 0.344 5.083 4.740 -0.001 0.000 0.201 401 N C -3.456 171.776 175.510 -0.463 0.000 1.131 401 N CA -1.322 51.221 53.050 -0.846 0.000 0.964 401 N CB 1.587 39.896 38.487 -0.296 0.000 1.579 401 N HN 0.173 nan 8.380 nan 0.000 0.573 402 P HA -0.011 nan 4.420 nan 0.000 0.272 402 P C 0.910 178.226 177.300 0.027 0.000 1.248 402 P CA 0.735 63.815 63.100 -0.033 0.000 0.799 402 P CB 0.469 32.158 31.700 -0.018 0.000 0.997 403 V N -3.663 116.306 119.914 0.092 0.000 1.878 403 V HA -0.315 3.805 4.120 -0.001 0.000 0.079 403 V C 0.551 176.704 176.094 0.100 0.000 0.474 403 V CA 2.583 64.939 62.300 0.092 0.000 1.423 403 V CB -2.208 29.652 31.823 0.062 0.000 1.673 403 V HN 0.559 nan 8.190 nan 0.000 0.860 404 D N -0.250 120.223 120.400 0.122 0.000 2.602 404 D HA 0.187 4.826 4.640 -0.001 0.000 0.284 404 D C 1.185 177.617 176.300 0.220 0.000 1.065 404 D CA 0.553 54.644 54.000 0.151 0.000 0.923 404 D CB 0.610 41.490 40.800 0.133 0.000 1.373 404 D HN 0.668 nan 8.370 nan 0.000 0.492 405 K N 0.765 121.343 120.400 0.297 0.000 3.160 405 K HA -0.227 4.092 4.320 -0.001 0.000 0.280 405 K C -0.462 176.312 176.600 0.290 0.000 1.154 405 K CA 0.842 57.343 56.287 0.356 0.000 0.822 405 K CB -0.737 31.908 32.500 0.240 0.000 1.239 405 K HN 0.392 nan 8.250 nan 0.000 0.489 406 R N -2.523 118.174 120.500 0.328 0.000 2.712 406 R HA 0.416 4.756 4.340 -0.001 0.000 0.272 406 R C -1.172 175.246 176.300 0.196 0.000 1.032 406 R CA -0.927 55.292 56.100 0.198 0.000 0.874 406 R CB 0.870 31.288 30.300 0.197 0.000 1.256 406 R HN -0.080 nan 8.270 nan 0.000 0.468 407 T N 0.207 114.816 114.554 0.091 0.000 2.902 407 T HA 0.672 5.022 4.350 -0.001 0.000 0.280 407 T C 0.169 174.927 174.700 0.098 0.000 0.992 407 T CA -0.165 61.976 62.100 0.068 0.000 1.015 407 T CB 1.545 70.378 68.868 -0.058 0.000 1.044 407 T HN 0.715 nan 8.240 nan 0.000 0.520 408 A N 2.111 125.003 122.820 0.119 0.000 3.448 408 A HA 0.404 4.723 4.320 -0.001 0.000 0.232 408 A C 0.100 177.797 177.584 0.187 0.000 1.018 408 A CA -0.549 51.594 52.037 0.176 0.000 0.996 408 A CB 0.057 19.198 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 0.118 0.000 2.428 409 L HA 0.361 4.701 4.340 -0.001 0.000 0.266 409 L C -0.397 176.615 176.870 0.235 0.000 1.269 409 L CA 1.482 56.399 54.840 0.129 0.000 0.821 409 L CB 0.788 42.821 42.059 -0.043 0.000 1.095 409 L HN 0.454 nan 8.230 nan 0.000 0.559 410 T N 2.817 117.548 114.554 0.294 0.000 3.483 410 T HA 0.420 4.770 4.350 -0.001 0.000 0.329 410 T C -1.239 173.729 174.700 0.446 0.000 1.014 410 T CA -0.373 61.968 62.100 0.402 0.000 1.056 410 T CB 0.743 69.737 68.868 0.210 0.000 1.090 410 T HN 0.599 nan 8.240 nan 0.000 0.460 411 Y N 2.157 122.570 120.300 0.189 0.000 2.615 411 Y HA 0.898 5.447 4.550 -0.001 0.000 0.341 411 Y C -0.891 175.186 175.900 0.294 0.000 1.089 411 Y CA -1.691 56.513 58.100 0.172 0.000 1.049 411 Y CB 1.471 40.003 38.460 0.120 0.000 1.296 411 Y HN 0.715 nan 8.280 nan 0.000 0.470 412 I N -1.068 119.614 120.570 0.185 0.000 3.457 412 I HA 0.769 4.938 4.170 -0.001 0.000 0.307 412 I C -1.152 175.158 176.117 0.321 0.000 1.138 412 I CA -0.519 60.899 61.300 0.196 0.000 0.974 412 I CB 2.772 40.792 38.000 0.033 0.000 1.324 412 I HN 0.863 nan 8.210 nan 0.000 0.485 413 D N -0.414 120.245 120.400 0.433 0.000 2.107 413 D HA 0.258 4.898 4.640 -0.001 0.000 0.636 413 D C -0.101 176.355 176.300 0.260 0.000 0.811 413 D CA 0.764 54.942 54.000 0.297 0.000 1.172 413 D CB 0.432 41.347 40.800 0.192 0.000 1.419 413 D HN 1.083 nan 8.370 nan 0.000 0.409 414 G N -0.741 108.218 108.800 0.265 0.000 2.731 414 G HA2 0.429 4.388 3.960 -0.001 0.000 0.309 414 G HA3 0.429 4.388 3.960 -0.001 0.000 0.309 414 G C 0.466 175.307 174.900 -0.098 0.000 1.273 414 G CA 0.373 45.542 45.100 0.114 0.000 0.798 414 G HN -0.017 nan 8.290 nan 0.000 0.509 415 S N -0.173 115.477 115.700 -0.083 0.000 2.531 415 S HA -0.035 4.434 4.470 -0.001 0.000 0.235 415 S C 1.738 176.163 174.600 -0.293 0.000 1.061 415 S CA 1.526 59.641 58.200 -0.140 0.000 1.250 415 S CB -1.123 62.028 63.200 -0.082 0.000 1.183 415 S HN 1.288 nan 8.310 nan 0.000 0.413 416 G N 1.391 109.968 108.800 -0.371 0.000 2.559 416 G HA2 0.199 4.158 3.960 -0.001 0.000 0.235 416 G HA3 0.199 4.158 3.960 -0.001 0.000 0.235 416 G C -0.383 173.919 174.900 -0.996 0.000 1.266 416 G CA -0.283 44.498 45.100 -0.531 0.000 0.847 416 G HN 0.500 nan 8.290 nan 0.000 0.583 417 N N 0.452 118.699 118.700 -0.755 0.000 2.421 417 N HA 0.238 4.977 4.740 -0.001 0.000 0.285 417 N C -0.627 174.498 175.510 -0.640 0.000 1.027 417 N CA -0.492 52.121 53.050 -0.728 0.000 0.918 417 N CB 1.191 39.502 38.487 -0.294 0.000 1.152 417 N HN 0.460 nan 8.380 nan 0.000 0.485 418 W N 1.653 122.862 121.300 -0.151 0.000 2.478 418 W HA 0.222 4.881 4.660 -0.001 0.000 0.318 418 W C 0.045 176.617 176.519 0.088 0.000 1.062 418 W CA -0.521 56.740 57.345 -0.140 0.000 1.210 418 W CB 0.771 30.035 29.460 -0.326 0.000 1.325 418 W HN 0.685 nan 8.180 nan 0.000 0.496 419 H N 0.048 119.295 119.070 0.296 0.000 2.596 419 H HA 0.422 4.978 4.556 -0.001 0.000 0.240 419 H C -0.816 174.593 175.328 0.134 0.000 1.406 419 H CA -0.889 55.329 56.048 0.284 0.000 1.504 419 H CB 0.265 30.123 29.762 0.159 0.000 1.688 419 H HN 0.391 nan 8.280 nan 0.000 0.546 420 R N 2.340 122.938 120.500 0.163 0.000 2.500 420 R HA 0.715 5.055 4.340 -0.001 0.000 0.275 420 R C -0.984 175.265 176.300 -0.085 0.000 1.051 420 R CA -0.153 55.886 56.100 -0.101 0.000 1.088 420 R CB 1.061 31.308 30.300 -0.088 0.000 1.063 420 R HN 0.466 nan 8.270 nan 0.000 0.511 421 V N -0.985 118.824 119.914 -0.176 0.000 3.265 421 V HA 0.627 4.746 4.120 -0.001 0.000 0.275 421 V C -1.636 174.425 176.094 -0.055 0.000 1.684 421 V CA -0.626 61.617 62.300 -0.094 0.000 1.032 421 V CB 1.574 33.393 31.823 -0.007 0.000 1.250 421 V HN 1.087 nan 8.190 nan 0.000 0.468 422 S N 0.311 116.056 115.700 0.076 0.000 2.669 422 S HA 0.783 5.252 4.470 -0.001 0.000 0.304 422 S C -1.677 173.088 174.600 0.276 0.000 1.021 422 S CA -1.123 57.168 58.200 0.152 0.000 0.854 422 S CB 1.770 65.020 63.200 0.084 0.000 1.048 422 S HN 1.209 nan 8.310 nan 0.000 0.452 423 K N 0.787 121.291 120.400 0.174 0.000 2.570 423 K HA 0.721 5.040 4.320 -0.001 0.000 0.256 423 K C -0.228 176.439 176.600 0.113 0.000 0.939 423 K CA -0.058 56.309 56.287 0.133 0.000 0.833 423 K CB 1.460 34.001 32.500 0.069 0.000 1.318 423 K HN 2.053 nan 8.250 nan 0.000 0.433 424 G N 0.781 109.633 108.800 0.086 0.000 3.055 424 G HA2 0.102 4.061 3.960 -0.001 0.000 0.686 424 G HA3 0.102 4.061 3.960 -0.001 0.000 0.686 424 G C 0.523 175.494 174.900 0.119 0.000 1.087 424 G CA -0.088 45.074 45.100 0.103 0.000 0.779 424 G HN 0.737 nan 8.290 nan 0.000 0.599 425 A N 4.330 127.212 122.820 0.103 0.000 1.848 425 A HA 0.250 4.569 4.320 -0.001 0.000 0.211 425 A C 0.694 178.355 177.584 0.129 0.000 1.225 425 A CA 2.650 54.754 52.037 0.113 0.000 0.637 425 A CB -1.283 17.760 19.000 0.073 0.000 0.867 425 A HN 0.642 nan 8.150 nan 0.000 0.463 426 P HA -0.122 nan 4.420 nan 0.000 0.214 426 P C 0.599 177.965 177.300 0.111 0.000 1.163 426 P CA 1.508 64.660 63.100 0.088 0.000 0.889 426 P CB -0.236 31.515 31.700 0.087 0.000 0.790 427 E N -1.213 119.067 120.200 0.132 0.000 2.445 427 E HA -0.143 4.207 4.350 -0.001 0.000 0.204 427 E C 1.458 178.169 176.600 0.186 0.000 1.194 427 E CA 0.586 57.075 56.400 0.149 0.000 0.950 427 E CB -0.624 29.171 29.700 0.158 0.000 0.976 427 E HN 0.152 nan 8.360 nan 0.000 0.519 428 Q N -1.047 118.874 119.800 0.201 0.000 2.143 428 Q HA 0.202 4.541 4.340 -0.001 0.000 0.242 428 Q C 1.078 177.264 176.000 0.311 0.000 0.790 428 Q CA 0.212 56.180 55.803 0.274 0.000 0.954 428 Q CB 0.602 29.506 28.738 0.276 0.000 1.155 428 Q HN 0.237 nan 8.270 nan 0.000 0.474 429 I N -0.349 120.318 120.570 0.162 0.000 2.729 429 I HA -0.026 4.143 4.170 -0.001 0.000 0.256 429 I C 2.007 178.154 176.117 0.049 0.000 1.115 429 I CA 0.410 61.708 61.300 -0.004 0.000 1.446 429 I CB -0.606 37.284 38.000 -0.183 0.000 1.176 429 I HN 0.155 nan 8.210 nan 0.000 0.446 430 L N 1.358 122.619 121.223 0.062 0.000 2.046 430 L HA -0.093 4.246 4.340 -0.001 0.000 0.208 430 L C 1.027 177.944 176.870 0.078 0.000 1.077 430 L CA 1.427 56.300 54.840 0.056 0.000 0.747 430 L CB -0.053 42.039 42.059 0.055 0.000 0.896 430 L HN 0.188 nan 8.230 nan 0.000 0.432 431 E N 0.934 121.219 120.200 0.141 0.000 1.944 431 E HA 0.038 4.387 4.350 -0.001 0.000 0.272 431 E C 0.802 177.502 176.600 0.167 0.000 1.195 431 E CA -0.076 56.414 56.400 0.150 0.000 0.926 431 E CB 0.361 30.209 29.700 0.246 0.000 1.051 431 E HN 0.340 nan 8.360 nan 0.000 0.404 432 L N 1.677 122.866 121.223 -0.058 0.000 4.925 432 L HA -0.410 3.930 4.340 -0.001 0.000 0.450 432 L C 1.662 178.624 176.870 0.154 0.000 1.081 432 L CA 1.109 55.821 54.840 -0.212 0.000 0.926 432 L CB -0.873 40.577 42.059 -1.015 0.000 1.764 432 L HN 0.598 nan 8.230 nan 0.000 0.911 433 A N -0.416 122.619 122.820 0.359 0.000 2.209 433 A HA -0.024 4.295 4.320 -0.001 0.000 0.212 433 A C 0.931 178.624 177.584 0.181 0.000 1.158 433 A CA 0.778 53.038 52.037 0.372 0.000 0.742 433 A CB -0.024 19.192 19.000 0.360 0.000 0.790 433 A HN 0.416 nan 8.150 nan 0.000 0.472 434 K N -1.511 118.951 120.400 0.104 0.000 5.910 434 K HA -0.163 4.156 4.320 -0.001 0.000 0.496 434 K C 0.045 176.650 176.600 0.009 0.000 1.222 434 K CA 0.790 57.103 56.287 0.045 0.000 1.422 434 K CB -2.156 30.378 32.500 0.056 0.000 1.780 434 K HN 0.942 nan 8.250 nan 0.000 0.384 435 A N 2.391 125.206 122.820 -0.009 0.000 2.729 435 A HA 0.118 4.437 4.320 -0.001 0.000 0.291 435 A C 1.119 178.675 177.584 -0.046 0.000 1.574 435 A CA 0.978 52.987 52.037 -0.045 0.000 1.194 435 A CB 0.035 19.018 19.000 -0.028 0.000 1.047 435 A HN 0.623 nan 8.150 nan 0.000 0.578 436 S N 1.390 117.052 115.700 -0.064 0.000 2.307 436 S HA 0.350 4.820 4.470 -0.001 0.000 0.252 436 S C 1.240 175.809 174.600 -0.051 0.000 1.204 436 S CA 0.004 58.179 58.200 -0.043 0.000 1.018 436 S CB 0.289 63.473 63.200 -0.027 0.000 1.077 436 S HN 0.788 nan 8.310 nan 0.000 0.454 437 N N 0.011 118.688 118.700 -0.038 0.000 2.765 437 N HA 0.051 4.790 4.740 -0.001 0.000 0.256 437 N C 1.098 176.591 175.510 -0.029 0.000 0.985 437 N CA 0.772 53.802 53.050 -0.034 0.000 0.980 437 N CB -1.039 37.436 38.487 -0.020 0.000 1.701 437 N HN 0.675 nan 8.380 nan 0.000 0.683 438 D N 2.116 122.507 120.400 -0.015 0.000 2.355 438 D HA -0.223 4.416 4.640 -0.001 0.000 0.192 438 D C 1.512 177.808 176.300 -0.006 0.000 1.014 438 D CA 1.757 55.754 54.000 -0.006 0.000 0.862 438 D CB -0.740 40.063 40.800 0.004 0.000 0.986 438 D HN 0.325 nan 8.370 nan 0.000 0.456 439 L N -0.483 120.737 121.223 -0.005 0.000 2.556 439 L HA 0.141 4.481 4.340 -0.001 0.000 0.226 439 L C 2.580 179.424 176.870 -0.044 0.000 1.089 439 L CA 0.305 55.147 54.840 0.004 0.000 0.864 439 L CB 0.133 42.222 42.059 0.050 0.000 1.067 439 L HN -0.019 nan 8.230 nan 0.000 0.477 440 S N -0.214 115.430 115.700 -0.094 0.000 2.406 440 S HA -0.078 4.392 4.470 -0.001 0.000 0.228 440 S C 1.912 176.429 174.600 -0.138 0.000 1.020 440 S CA 0.844 58.927 58.200 -0.195 0.000 0.965 440 S CB -0.013 63.070 63.200 -0.196 0.000 0.798 440 S HN 0.207 nan 8.310 nan 0.000 0.488 441 K N 1.197 121.550 120.400 -0.078 0.000 2.400 441 K HA 0.150 4.469 4.320 -0.001 0.000 0.194 441 K C 1.699 178.274 176.600 -0.042 0.000 1.033 441 K CA 0.424 56.679 56.287 -0.054 0.000 1.021 441 K CB 0.066 32.545 32.500 -0.035 0.000 0.808 441 K HN 0.129 nan 8.250 nan 0.000 0.505 442 K N 1.165 121.541 120.400 -0.039 0.000 2.352 442 K HA 0.018 4.338 4.320 -0.001 0.000 0.194 442 K C 1.565 178.149 176.600 -0.027 0.000 1.038 442 K CA 0.374 56.647 56.287 -0.025 0.000 1.023 442 K CB 0.501 32.995 32.500 -0.011 0.000 0.840 442 K HN -0.035 nan 8.250 nan 0.000 0.519 443 V N 0.122 120.016 119.914 -0.033 0.000 2.913 443 V HA -0.142 3.978 4.120 -0.001 0.000 0.260 443 V C 2.165 178.230 176.094 -0.049 0.000 1.098 443 V CA 0.979 63.272 62.300 -0.012 0.000 1.121 443 V CB -0.780 31.072 31.823 0.048 0.000 0.714 443 V HN 0.155 nan 8.190 nan 0.000 0.487 444 L N 0.431 121.624 121.223 -0.051 0.000 2.217 444 L HA -0.070 4.270 4.340 -0.001 0.000 0.211 444 L C 2.703 179.539 176.870 -0.057 0.000 1.107 444 L CA 1.511 56.322 54.840 -0.048 0.000 0.783 444 L CB -0.072 41.969 42.059 -0.031 0.000 0.919 444 L HN 0.481 nan 8.230 nan 0.000 0.442 445 S N -0.293 115.377 115.700 -0.051 0.000 2.377 445 S HA -0.160 4.310 4.470 -0.001 0.000 0.223 445 S C 1.919 176.476 174.600 -0.072 0.000 1.030 445 S CA 0.966 59.140 58.200 -0.043 0.000 0.970 445 S CB -0.201 62.985 63.200 -0.024 0.000 0.830 445 S HN 0.370 nan 8.310 nan 0.000 0.473 446 I N 1.891 122.394 120.570 -0.113 0.000 2.493 446 I HA 0.010 4.180 4.170 -0.001 0.000 0.254 446 I C 1.734 177.551 176.117 -0.499 0.000 1.160 446 I CA 0.808 61.986 61.300 -0.204 0.000 1.445 446 I CB -0.272 37.625 38.000 -0.171 0.000 1.086 446 I HN 0.353 nan 8.210 nan 0.000 0.433 447 I N 0.253 120.595 120.570 -0.380 0.000 2.700 447 I HA -0.251 3.919 4.170 -0.001 0.000 0.261 447 I C 1.249 177.271 176.117 -0.157 0.000 1.219 447 I CA 1.479 62.562 61.300 -0.363 0.000 1.463 447 I CB -0.855 37.055 38.000 -0.151 0.000 1.092 447 I HN 0.340 nan 8.210 nan 0.000 0.452 448 D N -0.133 120.217 120.400 -0.083 0.000 2.398 448 D HA -0.043 4.597 4.640 -0.001 0.000 0.210 448 D C 1.886 178.232 176.300 0.076 0.000 1.094 448 D CA 0.136 54.146 54.000 0.017 0.000 0.839 448 D CB 0.662 41.465 40.800 0.005 0.000 0.963 448 D HN 0.195 nan 8.370 nan 0.000 0.506 449 K N 0.103 120.582 120.400 0.132 0.000 2.243 449 K HA -0.082 4.237 4.320 -0.001 0.000 0.201 449 K C 1.590 178.332 176.600 0.236 0.000 1.051 449 K CA 0.740 57.126 56.287 0.165 0.000 0.970 449 K CB -0.060 32.545 32.500 0.176 0.000 0.755 449 K HN -0.087 nan 8.250 nan 0.000 0.465 450 Y N 0.535 120.825 120.300 -0.016 0.000 2.128 450 Y HA -0.081 4.468 4.550 -0.001 0.000 0.284 450 Y C 2.333 178.223 175.900 -0.018 0.000 1.154 450 Y CA 1.000 59.087 58.100 -0.022 0.000 1.149 450 Y CB -1.013 37.442 38.460 -0.009 0.000 0.976 450 Y HN 0.179 nan 8.280 nan 0.000 0.505 451 A N -0.159 122.767 122.820 0.178 0.000 2.019 451 A HA -0.142 4.177 4.320 -0.001 0.000 0.219 451 A C 2.168 179.784 177.584 0.053 0.000 1.164 451 A CA 1.481 53.575 52.037 0.094 0.000 0.644 451 A CB -0.334 18.709 19.000 0.071 0.000 0.805 451 A HN 0.330 nan 8.150 nan 0.000 0.449 452 E N 0.382 120.610 120.200 0.046 0.000 2.006 452 E HA -0.137 4.213 4.350 -0.001 0.000 0.192 452 E C 1.995 178.589 176.600 -0.011 0.000 0.993 452 E CA 1.007 57.417 56.400 0.016 0.000 0.808 452 E CB -0.434 29.274 29.700 0.014 0.000 0.764 452 E HN 0.578 nan 8.360 nan 0.000 0.449 453 R N 0.354 120.830 120.500 -0.040 0.000 2.328 453 R HA 0.021 4.361 4.340 -0.001 0.000 0.207 453 R C 0.869 177.111 176.300 -0.098 0.000 1.056 453 R CA 0.745 56.785 56.100 -0.101 0.000 1.016 453 R CB -0.669 29.531 30.300 -0.168 0.000 0.872 453 R HN 0.241 nan 8.270 nan 0.000 0.471 454 G N 2.191 110.977 108.800 -0.025 0.000 2.374 454 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.289 454 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.289 454 G C -0.106 174.822 174.900 0.047 0.000 1.004 454 G CA 0.049 45.167 45.100 0.030 0.000 1.292 454 G HN 0.186 nan 8.290 nan 0.000 0.502 455 L N -0.756 120.485 121.223 0.030 0.000 2.335 455 L HA 0.641 4.981 4.340 -0.001 0.000 0.268 455 L C 1.135 178.083 176.870 0.129 0.000 1.016 455 L CA -1.297 53.569 54.840 0.044 0.000 0.805 455 L CB 1.310 43.275 42.059 -0.157 0.000 1.311 455 L HN 0.281 nan 8.230 nan 0.000 0.456 456 R N 0.292 120.872 120.500 0.134 0.000 2.235 456 R HA 0.172 4.512 4.340 -0.001 0.000 0.338 456 R C -0.615 175.765 176.300 0.133 0.000 1.087 456 R CA -0.208 55.964 56.100 0.120 0.000 0.948 456 R CB 0.457 30.813 30.300 0.093 0.000 1.099 456 R HN 0.569 nan 8.270 nan 0.000 0.483 457 S N 5.234 121.031 115.700 0.160 0.000 2.437 457 S HA 0.084 4.554 4.470 -0.001 0.000 0.304 457 S C -0.377 174.267 174.600 0.073 0.000 1.167 457 S CA -0.572 57.724 58.200 0.161 0.000 1.106 457 S CB 0.427 63.687 63.200 0.099 0.000 1.099 457 S HN 0.425 nan 8.310 nan 0.000 0.524 458 L N 3.573 124.818 121.223 0.038 0.000 2.342 458 L HA 0.779 5.118 4.340 -0.001 0.000 0.276 458 L C -0.069 176.741 176.870 -0.101 0.000 0.997 458 L CA -0.707 54.113 54.840 -0.033 0.000 0.838 458 L CB 0.717 42.728 42.059 -0.080 0.000 1.224 458 L HN 0.633 nan 8.230 nan 0.000 0.416 459 A N 4.085 126.875 122.820 -0.051 0.000 2.304 459 A HA 0.724 5.043 4.320 -0.001 0.000 0.271 459 A C -0.620 176.851 177.584 -0.189 0.000 1.091 459 A CA 0.016 51.998 52.037 -0.092 0.000 0.812 459 A CB 1.221 20.284 19.000 0.105 0.000 1.056 459 A HN 1.464 nan 8.150 nan 0.000 0.489 460 V N 0.625 120.329 119.914 -0.351 0.000 2.610 460 V HA 0.673 4.792 4.120 -0.001 0.000 0.298 460 V C 0.042 175.884 176.094 -0.419 0.000 1.067 460 V CA 0.176 62.303 62.300 -0.288 0.000 0.894 460 V CB 0.898 32.534 31.823 -0.312 0.000 1.015 460 V HN 1.725 nan 8.190 nan 0.000 0.432 461 A N 6.316 128.986 122.820 -0.251 0.000 2.621 461 A HA 0.933 5.253 4.320 -0.001 0.000 0.267 461 A C 0.226 177.600 177.584 -0.350 0.000 1.506 461 A CA -0.430 51.455 52.037 -0.254 0.000 0.873 461 A CB 0.615 19.549 19.000 -0.110 0.000 1.577 461 A HN 1.011 nan 8.150 nan 0.000 0.536 462 R N -0.850 119.403 120.500 -0.413 0.000 2.602 462 R HA 0.377 4.717 4.340 -0.001 0.000 0.237 462 R C -0.417 175.544 176.300 -0.566 0.000 1.219 462 R CA -0.257 55.573 56.100 -0.450 0.000 1.121 462 R CB 0.435 30.510 30.300 -0.374 0.000 1.408 462 R HN 0.751 nan 8.270 nan 0.000 0.559 463 Q N 1.306 120.899 119.800 -0.346 0.000 2.296 463 Q HA 0.193 4.533 4.340 -0.001 0.000 0.257 463 Q C 1.235 177.114 176.000 -0.203 0.000 0.942 463 Q CA -0.241 55.418 55.803 -0.240 0.000 0.939 463 Q CB 1.573 30.338 28.738 0.046 0.000 1.198 463 Q HN 0.600 nan 8.270 nan 0.000 0.429 464 V N 1.640 121.396 119.914 -0.264 0.000 2.242 464 V HA -0.315 3.805 4.120 -0.001 0.000 0.257 464 V C 1.221 177.385 176.094 0.116 0.000 1.073 464 V CA 1.640 64.075 62.300 0.224 0.000 1.058 464 V CB -1.857 29.881 31.823 -0.140 0.000 0.664 464 V HN 1.127 nan 8.190 nan 0.000 0.451 465 V N -3.632 116.277 119.914 -0.008 0.000 5.898 465 V HA -0.171 3.949 4.120 -0.001 0.000 0.185 465 V C -0.874 175.205 176.094 -0.026 0.000 0.709 465 V CA 0.474 62.747 62.300 -0.045 0.000 0.601 465 V CB -2.343 29.515 31.823 0.058 0.000 0.554 465 V HN 0.625 nan 8.190 nan 0.000 0.405 466 P HA 0.286 nan 4.420 nan 0.000 0.204 466 P C 1.074 178.337 177.300 -0.060 0.000 1.180 466 P CA 1.514 64.593 63.100 -0.035 0.000 0.897 466 P CB 0.501 32.186 31.700 -0.026 0.000 0.737 467 E N -2.803 117.347 120.200 -0.083 0.000 3.575 467 E HA 0.203 4.553 4.350 -0.001 0.000 0.263 467 E C 0.200 176.726 176.600 -0.123 0.000 1.230 467 E CA -0.041 56.304 56.400 -0.091 0.000 1.875 467 E CB 0.589 30.254 29.700 -0.058 0.000 1.961 467 E HN -0.112 nan 8.360 nan 0.000 0.904 468 K N 0.773 121.114 120.400 -0.098 0.000 2.367 468 K HA 0.421 4.741 4.320 -0.001 0.000 0.272 468 K C -0.603 175.954 176.600 -0.073 0.000 1.046 468 K CA -0.379 55.847 56.287 -0.102 0.000 0.895 468 K CB 1.185 33.642 32.500 -0.072 0.000 1.512 468 K HN 0.051 nan 8.250 nan 0.000 0.433 469 T N 1.445 115.964 114.554 -0.058 0.000 2.748 469 T HA 0.134 4.483 4.350 -0.001 0.000 0.304 469 T C 0.513 175.199 174.700 -0.023 0.000 1.041 469 T CA -0.033 62.049 62.100 -0.031 0.000 1.033 469 T CB 0.409 69.278 68.868 0.001 0.000 0.995 469 T HN 0.532 nan 8.240 nan 0.000 0.536 470 K N -0.646 119.734 120.400 -0.034 0.000 11.046 470 K HA -0.230 4.090 4.320 -0.001 0.000 0.528 470 K C 0.373 176.944 176.600 -0.049 0.000 0.384 470 K CA 2.126 58.401 56.287 -0.019 0.000 1.939 470 K CB -1.306 31.222 32.500 0.047 0.000 0.775 470 K HN 0.753 nan 8.250 nan 0.000 1.232 471 E N 2.127 122.316 120.200 -0.019 0.000 2.465 471 E HA 0.111 4.460 4.350 -0.001 0.000 0.260 471 E C 0.265 176.855 176.600 -0.016 0.000 0.980 471 E CA 0.570 56.962 56.400 -0.013 0.000 0.927 471 E CB 0.678 30.374 29.700 -0.007 0.000 0.934 471 E HN 0.419 nan 8.360 nan 0.000 0.459 472 S N 3.919 119.613 115.700 -0.011 0.000 2.553 472 S HA -0.007 4.462 4.470 -0.001 0.000 0.271 472 S C -1.848 172.752 174.600 0.001 0.000 1.362 472 S CA -0.742 57.459 58.200 0.001 0.000 1.010 472 S CB 0.597 63.791 63.200 -0.011 0.000 0.865 472 S HN 0.346 nan 8.310 nan 0.000 0.543 473 P HA 0.434 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 1.111 64.198 63.100 -0.022 0.000 0.856 473 P CB -0.580 31.127 31.700 0.011 0.000 0.726 474 G N -0.313 108.378 108.800 -0.182 0.000 2.179 474 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.260 474 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.260 474 G C 0.655 175.433 174.900 -0.204 0.000 0.977 474 G CA 0.355 45.300 45.100 -0.259 0.000 0.641 474 G HN 0.715 nan 8.290 nan 0.000 0.533 475 A N 0.884 123.640 122.820 -0.107 0.000 2.339 475 A HA 0.576 4.895 4.320 -0.001 0.000 0.272 475 A C -1.028 176.586 177.584 0.050 0.000 1.182 475 A CA 0.232 52.263 52.037 -0.010 0.000 0.819 475 A CB -0.412 18.610 19.000 0.036 0.000 1.115 475 A HN 0.301 nan 8.150 nan 0.000 0.512 476 P HA 0.098 nan 4.420 nan 0.000 0.266 476 P C -1.192 176.353 177.300 0.407 0.000 1.193 476 P CA 0.522 63.731 63.100 0.182 0.000 0.770 476 P CB 0.241 32.032 31.700 0.151 0.000 0.836 477 W N 1.846 123.158 121.300 0.020 0.000 2.830 477 W HA 0.247 4.907 4.660 -0.001 0.000 0.335 477 W C 0.583 177.127 176.519 0.042 0.000 1.043 477 W CA -0.275 57.080 57.345 0.017 0.000 1.239 477 W CB 1.316 30.791 29.460 0.025 0.000 1.378 477 W HN 0.379 nan 8.180 nan 0.000 0.456 478 E N 3.009 123.263 120.200 0.090 0.000 2.452 478 E HA 0.031 4.380 4.350 -0.001 0.000 0.197 478 E C 0.029 176.684 176.600 0.092 0.000 1.022 478 E CA -0.450 55.977 56.400 0.045 0.000 0.890 478 E CB 0.498 30.088 29.700 -0.184 0.000 0.918 478 E HN 0.350 nan 8.360 nan 0.000 0.496 479 F N 1.072 120.944 119.950 -0.130 0.000 2.020 479 F HA -0.326 4.200 4.527 -0.001 0.000 0.371 479 F C 0.808 176.530 175.800 -0.131 0.000 1.134 479 F CA 0.543 58.492 58.000 -0.084 0.000 1.213 479 F CB -0.002 39.012 39.000 0.024 0.000 1.912 479 F HN -0.106 nan 8.300 nan 0.000 0.732 480 V N 4.673 124.263 119.914 -0.539 0.000 2.743 480 V HA 0.876 4.995 4.120 -0.001 0.000 0.237 480 V C 1.042 176.954 176.094 -0.304 0.000 1.113 480 V CA 1.895 64.000 62.300 -0.324 0.000 1.141 480 V CB 0.484 32.122 31.823 -0.309 0.000 0.873 480 V HN 1.763 nan 8.190 nan 0.000 0.486 481 G N 0.209 108.651 108.800 -0.597 0.000 2.427 481 G HA2 0.508 4.467 3.960 -0.001 0.000 0.306 481 G HA3 0.508 4.467 3.960 -0.001 0.000 0.306 481 G C -1.838 172.826 174.900 -0.393 0.000 1.280 481 G CA -0.345 44.533 45.100 -0.370 0.000 0.837 481 G HN 1.151 nan 8.290 nan 0.000 0.482 482 L N -1.927 119.195 121.223 -0.169 0.000 2.422 482 L HA 0.869 5.209 4.340 -0.001 0.000 0.264 482 L C -0.851 176.017 176.870 -0.004 0.000 0.984 482 L CA -1.163 53.610 54.840 -0.112 0.000 0.819 482 L CB 2.074 44.106 42.059 -0.045 0.000 1.330 482 L HN 0.460 nan 8.230 nan 0.000 0.410 483 L N 2.030 123.235 121.223 -0.031 0.000 2.325 483 L HA 0.600 4.939 4.340 -0.001 0.000 0.279 483 L C -2.294 174.657 176.870 0.135 0.000 1.054 483 L CA -1.640 53.199 54.840 -0.002 0.000 0.804 483 L CB 1.925 43.895 42.059 -0.148 0.000 1.200 483 L HN 0.413 nan 8.230 nan 0.000 0.436 484 P HA 0.352 nan 4.420 nan 0.000 0.273 484 P C -0.906 176.357 177.300 -0.063 0.000 1.531 484 P CA -0.220 62.784 63.100 -0.160 0.000 1.027 484 P CB 0.549 31.939 31.700 -0.518 0.000 1.387 485 L N 3.690 124.928 121.223 0.025 0.000 2.307 485 L HA 0.517 4.857 4.340 -0.001 0.000 0.282 485 L C 0.059 177.038 176.870 0.181 0.000 1.051 485 L CA -0.728 54.152 54.840 0.066 0.000 0.804 485 L CB 0.662 42.749 42.059 0.046 0.000 1.197 485 L HN 0.214 nan 8.230 nan 0.000 0.431 486 F N 2.230 122.154 119.950 -0.044 0.000 2.458 486 F HA 0.411 4.938 4.527 -0.001 0.000 0.336 486 F C -0.451 175.335 175.800 -0.024 0.000 1.114 486 F CA -1.118 56.859 58.000 -0.038 0.000 0.987 486 F CB 1.437 40.409 39.000 -0.046 0.000 1.130 486 F HN 0.336 nan 8.300 nan 0.000 0.458 487 D N 7.419 127.388 120.400 -0.719 0.000 2.389 487 D HA 0.373 5.013 4.640 -0.001 0.000 0.256 487 D C -2.747 173.026 176.300 -0.878 0.000 1.239 487 D CA -1.891 51.740 54.000 -0.616 0.000 0.925 487 D CB 1.777 42.430 40.800 -0.245 0.000 1.145 487 D HN 0.136 nan 8.370 nan 0.000 0.542 488 P HA 0.320 nan 4.420 nan 0.000 0.274 488 P C -2.695 174.464 177.300 -0.235 0.000 1.256 488 P CA -1.357 61.426 63.100 -0.529 0.000 0.795 488 P CB -0.082 31.424 31.700 -0.322 0.000 1.038 489 P HA 0.269 nan 4.420 nan 0.000 0.286 489 P C -0.347 176.928 177.300 -0.042 0.000 1.269 489 P CA -0.407 62.654 63.100 -0.064 0.000 0.787 489 P CB 0.626 32.312 31.700 -0.024 0.000 0.920 490 R N 3.154 123.627 120.500 -0.045 0.000 2.590 490 R HA -0.005 4.335 4.340 -0.001 0.000 0.274 490 R C 2.116 178.410 176.300 -0.010 0.000 1.061 490 R CA -0.043 56.051 56.100 -0.011 0.000 1.081 490 R CB 0.261 30.542 30.300 -0.032 0.000 0.984 490 R HN 0.679 nan 8.270 nan 0.000 0.448 491 H N 4.369 123.422 119.070 -0.027 0.000 2.257 491 H HA -0.224 4.332 4.556 -0.001 0.000 0.292 491 H C 0.769 176.087 175.328 -0.017 0.000 1.075 491 H CA 2.247 58.283 56.048 -0.019 0.000 1.212 491 H CB -0.509 29.244 29.762 -0.015 0.000 1.354 491 H HN 0.795 nan 8.280 nan 0.000 0.497 492 D N 1.498 121.224 120.400 -1.123 0.000 2.106 492 D HA -0.240 4.399 4.640 -0.001 0.000 0.191 492 D C 2.389 178.528 176.300 -0.270 0.000 0.997 492 D CA 2.476 56.100 54.000 -0.627 0.000 0.834 492 D CB -1.180 39.235 40.800 -0.643 0.000 0.956 492 D HN 0.575 nan 8.370 nan 0.000 0.448 493 S N 0.710 116.269 115.700 -0.234 0.000 2.444 493 S HA -0.230 4.240 4.470 -0.001 0.000 0.244 493 S C 2.033 176.581 174.600 -0.086 0.000 1.025 493 S CA 1.606 59.729 58.200 -0.127 0.000 0.995 493 S CB -0.694 62.445 63.200 -0.102 0.000 0.781 493 S HN 0.515 nan 8.310 nan 0.000 0.496 494 A N 2.101 124.875 122.820 -0.078 0.000 1.841 494 A HA -0.060 4.259 4.320 -0.001 0.000 0.214 494 A C 2.329 179.889 177.584 -0.040 0.000 1.195 494 A CA 1.382 53.394 52.037 -0.041 0.000 0.611 494 A CB -0.711 18.279 19.000 -0.017 0.000 0.835 494 A HN 0.596 nan 8.150 nan 0.000 0.443 495 E N -0.584 119.589 120.200 -0.045 0.000 2.023 495 E HA -0.165 4.184 4.350 -0.001 0.000 0.196 495 E C 2.163 178.737 176.600 -0.042 0.000 1.003 495 E CA 1.686 58.065 56.400 -0.036 0.000 0.809 495 E CB -1.029 28.651 29.700 -0.033 0.000 0.755 495 E HN 0.533 nan 8.360 nan 0.000 0.449 496 T N 1.929 116.446 114.554 -0.062 0.000 2.594 496 T HA -0.239 4.111 4.350 -0.001 0.000 0.266 496 T C 1.969 176.644 174.700 -0.042 0.000 1.070 496 T CA 1.955 64.022 62.100 -0.056 0.000 1.166 496 T CB -0.457 68.368 68.868 -0.072 0.000 0.862 496 T HN 0.145 nan 8.240 nan 0.000 0.436 497 I N 1.101 121.645 120.570 -0.043 0.000 2.264 497 I HA -0.110 4.059 4.170 -0.001 0.000 0.248 497 I C 2.409 178.510 176.117 -0.027 0.000 1.111 497 I CA 1.635 62.913 61.300 -0.036 0.000 1.382 497 I CB -0.472 37.506 38.000 -0.037 0.000 1.060 497 I HN 0.142 nan 8.210 nan 0.000 0.418 498 R N 0.609 121.093 120.500 -0.026 0.000 2.097 498 R HA -0.263 4.077 4.340 -0.001 0.000 0.236 498 R C 2.655 178.945 176.300 -0.017 0.000 1.135 498 R CA 2.175 58.264 56.100 -0.018 0.000 0.934 498 R CB -0.551 29.739 30.300 -0.016 0.000 0.846 498 R HN 0.399 nan 8.270 nan 0.000 0.431 499 R N 0.050 120.538 120.500 -0.020 0.000 2.083 499 R HA -0.145 4.194 4.340 -0.001 0.000 0.237 499 R C 2.229 178.519 176.300 -0.017 0.000 1.137 499 R CA 1.669 57.758 56.100 -0.018 0.000 0.951 499 R CB -0.445 29.843 30.300 -0.020 0.000 0.851 499 R HN 0.387 nan 8.270 nan 0.000 0.434 500 A N 0.940 123.748 122.820 -0.020 0.000 1.903 500 A HA -0.208 4.111 4.320 -0.001 0.000 0.219 500 A C 2.035 179.610 177.584 -0.015 0.000 1.191 500 A CA 1.563 53.589 52.037 -0.019 0.000 0.638 500 A CB -0.627 18.360 19.000 -0.022 0.000 0.823 500 A HN 0.323 nan 8.150 nan 0.000 0.451 501 L N -0.233 120.982 121.223 -0.013 0.000 2.201 501 L HA -0.079 4.260 4.340 -0.001 0.000 0.212 501 L C 1.750 178.615 176.870 -0.009 0.000 1.105 501 L CA 1.474 56.308 54.840 -0.009 0.000 0.775 501 L CB -0.698 41.356 42.059 -0.007 0.000 0.913 501 L HN 0.317 nan 8.230 nan 0.000 0.440 502 N N -1.074 117.620 118.700 -0.010 0.000 2.461 502 N HA 0.056 4.795 4.740 -0.001 0.000 0.188 502 N C 1.028 176.531 175.510 -0.011 0.000 1.134 502 N CA 0.497 53.541 53.050 -0.010 0.000 0.878 502 N CB 0.148 38.630 38.487 -0.009 0.000 0.972 502 N HN 0.253 nan 8.380 nan 0.000 0.456 503 L N -1.222 119.994 121.223 -0.012 0.000 2.872 503 L HA 0.273 4.612 4.340 -0.001 0.000 0.245 503 L C 1.182 178.044 176.870 -0.014 0.000 1.211 503 L CA -0.009 54.824 54.840 -0.012 0.000 1.013 503 L CB -0.143 41.908 42.059 -0.012 0.000 1.326 503 L HN 0.162 nan 8.230 nan 0.000 0.525 504 G N 0.488 109.280 108.800 -0.013 0.000 2.302 504 G HA2 -0.328 3.632 3.960 -0.001 0.000 0.263 504 G HA3 -0.328 3.632 3.960 -0.001 0.000 0.263 504 G C 0.455 175.348 174.900 -0.012 0.000 0.995 504 G CA 0.575 45.666 45.100 -0.014 0.000 0.622 504 G HN 0.241 nan 8.290 nan 0.000 0.538 505 V N 2.536 122.443 119.914 -0.013 0.000 2.408 505 V HA 0.420 4.539 4.120 -0.001 0.000 0.267 505 V C 0.500 176.590 176.094 -0.005 0.000 1.047 505 V CA -0.723 61.571 62.300 -0.010 0.000 0.937 505 V CB 0.222 32.035 31.823 -0.017 0.000 0.999 505 V HN 0.412 nan 8.190 nan 0.000 0.472 506 N N 4.991 123.694 118.700 0.006 0.000 2.530 506 N HA 0.406 5.146 4.740 -0.001 0.000 0.273 506 N C -0.836 174.667 175.510 -0.011 0.000 1.173 506 N CA -0.593 52.458 53.050 0.003 0.000 0.967 506 N CB 1.815 40.313 38.487 0.019 0.000 1.109 506 N HN 0.473 nan 8.380 nan 0.000 0.453 507 V N 1.827 121.725 119.914 -0.027 0.000 2.667 507 V HA 0.401 4.520 4.120 -0.001 0.000 0.308 507 V C -0.094 175.957 176.094 -0.072 0.000 1.048 507 V CA -0.630 61.643 62.300 -0.044 0.000 0.928 507 V CB 1.693 33.490 31.823 -0.044 0.000 1.004 507 V HN 0.642 nan 8.190 nan 0.000 0.444 508 K N 3.060 123.396 120.400 -0.107 0.000 2.422 508 K HA 0.586 4.906 4.320 -0.001 0.000 0.251 508 K C -0.820 175.643 176.600 -0.228 0.000 0.933 508 K CA -0.711 55.460 56.287 -0.194 0.000 0.798 508 K CB 2.658 35.002 32.500 -0.260 0.000 1.238 508 K HN 0.622 nan 8.250 nan 0.000 0.428 509 M N 3.107 122.548 119.600 -0.264 0.000 2.242 509 M HA 0.324 4.804 4.480 -0.001 0.000 0.344 509 M C -0.892 175.250 176.300 -0.263 0.000 1.140 509 M CA 0.240 55.416 55.300 -0.206 0.000 1.160 509 M CB 0.432 32.947 32.600 -0.143 0.000 1.491 509 M HN 0.566 nan 8.290 nan 0.000 0.459 510 I N 3.343 123.838 120.570 -0.125 0.000 2.576 510 I HA 0.216 4.385 4.170 -0.001 0.000 0.279 510 I C -1.021 175.091 176.117 -0.009 0.000 1.114 510 I CA -0.175 61.101 61.300 -0.041 0.000 1.076 510 I CB 1.855 39.852 38.000 -0.004 0.000 1.212 510 I HN 0.609 nan 8.210 nan 0.000 0.472 511 T N 3.153 117.707 114.554 0.000 0.000 2.993 511 T HA 0.454 4.803 4.350 -0.001 0.000 0.312 511 T C 0.178 174.833 174.700 -0.075 0.000 1.115 511 T CA -0.364 61.716 62.100 -0.034 0.000 1.027 511 T CB 1.551 70.401 68.868 -0.031 0.000 1.116 511 T HN 0.623 nan 8.240 nan 0.000 0.464 512 G N 2.795 111.503 108.800 -0.153 0.000 3.316 512 G HA2 0.419 4.378 3.960 -0.001 0.000 0.255 512 G HA3 0.419 4.378 3.960 -0.001 0.000 0.255 512 G C -0.619 174.149 174.900 -0.221 0.000 0.880 512 G CA -0.177 44.733 45.100 -0.316 0.000 1.956 512 G HN 0.590 nan 8.290 nan 0.000 0.634 513 D N 0.081 120.406 120.400 -0.125 0.000 2.788 513 D HA 0.268 4.908 4.640 -0.001 0.000 0.247 513 D C 0.036 176.319 176.300 -0.030 0.000 1.236 513 D CA -0.391 53.574 54.000 -0.058 0.000 0.898 513 D CB 1.409 42.197 40.800 -0.021 0.000 1.401 513 D HN 0.298 nan 8.370 nan 0.000 0.549 514 Q N 1.335 121.127 119.800 -0.013 0.000 2.873 514 Q HA -0.140 4.199 4.340 -0.001 0.000 0.385 514 Q C 1.341 177.351 176.000 0.016 0.000 1.117 514 Q CA 0.109 55.916 55.803 0.006 0.000 1.167 514 Q CB 0.512 29.262 28.738 0.019 0.000 1.105 514 Q HN 0.534 nan 8.270 nan 0.000 0.444 515 L N 2.399 123.635 121.223 0.022 0.000 2.197 515 L HA -0.242 4.097 4.340 -0.001 0.000 0.215 515 L C 1.894 178.782 176.870 0.031 0.000 1.095 515 L CA 2.479 57.341 54.840 0.036 0.000 0.764 515 L CB -0.947 41.139 42.059 0.044 0.000 0.897 515 L HN 0.783 nan 8.230 nan 0.000 0.436 516 A N 0.113 122.949 122.820 0.028 0.000 1.978 516 A HA -0.136 4.183 4.320 -0.001 0.000 0.220 516 A C 2.098 179.701 177.584 0.032 0.000 1.170 516 A CA 2.162 54.216 52.037 0.028 0.000 0.636 516 A CB -0.905 18.113 19.000 0.029 0.000 0.810 516 A HN 0.726 nan 8.150 nan 0.000 0.448 517 I N -1.929 118.663 120.570 0.036 0.000 2.339 517 I HA 0.200 4.370 4.170 -0.001 0.000 0.245 517 I C 2.342 178.481 176.117 0.037 0.000 1.096 517 I CA 0.993 62.320 61.300 0.044 0.000 1.408 517 I CB -1.556 36.477 38.000 0.055 0.000 1.092 517 I HN 0.048 nan 8.210 nan 0.000 0.423 518 G N 1.021 109.838 108.800 0.027 0.000 2.505 518 G HA2 -0.346 3.613 3.960 -0.001 0.000 0.220 518 G HA3 -0.346 3.613 3.960 -0.001 0.000 0.220 518 G C 1.685 176.593 174.900 0.014 0.000 1.145 518 G CA 1.074 46.184 45.100 0.016 0.000 0.761 518 G HN 0.473 nan 8.290 nan 0.000 0.571 519 K N 0.319 120.729 120.400 0.016 0.000 2.616 519 K HA -0.038 4.281 4.320 -0.001 0.000 0.192 519 K C 1.937 178.542 176.600 0.009 0.000 1.031 519 K CA 1.011 57.303 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 0.395 nan 8.250 nan 0.000 0.497 520 E N -1.082 119.131 120.200 0.021 0.000 2.288 520 E HA 0.007 4.357 4.350 -0.001 0.000 0.200 520 E C 1.001 177.627 176.600 0.043 0.000 0.880 520 E CA 0.880 57.298 56.400 0.029 0.000 0.971 520 E CB 0.048 29.770 29.700 0.037 0.000 0.954 520 E HN -0.053 nan 8.360 nan 0.000 0.489 521 T N -0.127 114.459 114.554 0.053 0.000 3.439 521 T HA 0.241 4.590 4.350 -0.001 0.000 0.251 521 T C 0.704 175.413 174.700 0.014 0.000 1.108 521 T CA 0.753 62.882 62.100 0.048 0.000 0.982 521 T CB -0.387 68.509 68.868 0.048 0.000 1.024 521 T HN 0.326 nan 8.240 nan 0.000 0.573 522 G N 1.529 110.335 108.800 0.010 0.000 2.808 522 G HA2 0.037 3.996 3.960 -0.001 0.000 0.210 522 G HA3 0.037 3.996 3.960 -0.001 0.000 0.210 522 G C 1.311 176.207 174.900 -0.006 0.000 1.177 522 G CA -0.433 44.664 45.100 -0.006 0.000 0.853 522 G HN 0.534 nan 8.290 nan 0.000 0.625 523 R N 0.429 120.927 120.500 -0.004 0.000 2.357 523 R HA 0.207 4.546 4.340 -0.001 0.000 0.202 523 R C 1.973 178.274 176.300 0.002 0.000 1.047 523 R CA 0.563 56.659 56.100 -0.007 0.000 1.034 523 R CB -0.145 30.147 30.300 -0.013 0.000 0.875 523 R HN 0.236 nan 8.270 nan 0.000 0.473 524 R N 0.386 120.893 120.500 0.011 0.000 2.334 524 R HA 0.135 4.474 4.340 -0.001 0.000 0.216 524 R C -0.105 176.200 176.300 0.009 0.000 0.905 524 R CA 0.152 56.264 56.100 0.021 0.000 1.064 524 R CB 0.460 30.788 30.300 0.046 0.000 1.046 524 R HN 0.139 nan 8.270 nan 0.000 0.508 525 L N -0.368 120.853 121.223 -0.002 0.000 3.291 525 L HA 0.375 4.715 4.340 -0.001 0.000 0.307 525 L C 0.844 177.705 176.870 -0.015 0.000 1.303 525 L CA 0.387 55.220 54.840 -0.012 0.000 0.949 525 L CB 1.023 43.070 42.059 -0.021 0.000 1.375 525 L HN 0.267 nan 8.230 nan 0.000 0.596 526 G N 0.452 109.246 108.800 -0.010 0.000 2.494 526 G HA2 -0.431 3.528 3.960 -0.001 0.000 0.252 526 G HA3 -0.431 3.528 3.960 -0.001 0.000 0.252 526 G C 0.953 175.845 174.900 -0.013 0.000 1.025 526 G CA 0.719 45.813 45.100 -0.011 0.000 0.638 526 G HN 0.371 nan 8.290 nan 0.000 0.544 527 M N 2.294 121.883 119.600 -0.018 0.000 3.510 527 M HA 0.184 4.664 4.480 -0.001 0.000 0.205 527 M C 1.435 177.725 176.300 -0.016 0.000 1.846 527 M CA 0.842 56.130 55.300 -0.021 0.000 1.795 527 M CB -0.281 32.301 32.600 -0.030 0.000 1.454 527 M HN 0.315 nan 8.290 nan 0.000 0.505 528 G N 0.829 109.624 108.800 -0.010 0.000 3.636 528 G HA2 0.248 4.208 3.960 -0.001 0.000 0.260 528 G HA3 0.248 4.208 3.960 -0.001 0.000 0.260 528 G C 0.630 175.535 174.900 0.009 0.000 1.014 528 G CA -0.362 44.733 45.100 -0.007 0.000 1.797 528 G HN 0.609 nan 8.290 nan 0.000 0.637 529 T N 0.048 114.608 114.554 0.010 0.000 3.010 529 T HA -0.019 4.330 4.350 -0.001 0.000 0.253 529 T C 1.387 176.112 174.700 0.042 0.000 0.939 529 T CA -0.134 61.989 62.100 0.037 0.000 0.910 529 T CB 0.067 68.955 68.868 0.034 0.000 1.226 529 T HN 0.539 nan 8.240 nan 0.000 0.508 530 N N 2.237 120.945 118.700 0.013 0.000 3.115 530 N HA 0.166 4.905 4.740 -0.001 0.000 0.305 530 N C 0.927 176.418 175.510 -0.032 0.000 1.305 530 N CA 0.053 53.110 53.050 0.011 0.000 1.154 530 N CB -0.447 38.042 38.487 0.003 0.000 1.454 530 N HN 0.373 nan 8.380 nan 0.000 0.551 531 M N -0.819 118.743 119.600 -0.065 0.000 2.544 531 M HA 0.128 4.607 4.480 -0.001 0.000 0.251 531 M C -0.124 175.970 176.300 -0.345 0.000 1.189 531 M CA 0.634 55.769 55.300 -0.276 0.000 1.218 531 M CB -0.228 32.088 32.600 -0.473 0.000 1.259 531 M HN 0.108 nan 8.290 nan 0.000 0.495 532 Y N 0.239 120.549 120.300 0.017 0.000 2.335 532 Y HA 0.227 4.777 4.550 -0.001 0.000 0.323 532 Y C -1.484 174.429 175.900 0.022 0.000 1.224 532 Y CA -2.205 55.906 58.100 0.017 0.000 1.241 532 Y CB -0.730 37.739 38.460 0.015 0.000 1.235 532 Y HN 0.016 nan 8.280 nan 0.000 0.492 533 P HA -0.246 nan 4.420 nan 0.000 0.217 533 P C 1.320 178.680 177.300 0.101 0.000 1.162 533 P CA 2.389 65.551 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 -1.018 114.747 115.700 0.108 0.000 2.368 534 S HA -0.109 4.360 4.470 -0.001 0.000 0.225 534 S C 1.793 176.447 174.600 0.091 0.000 1.030 534 S CA 1.132 59.380 58.200 0.080 0.000 0.999 534 S CB -0.869 62.364 63.200 0.053 0.000 0.844 534 S HN 0.173 nan 8.310 nan 0.000 0.459 535 S N 1.082 116.859 115.700 0.128 0.000 2.191 535 S HA 0.235 4.704 4.470 -0.001 0.000 0.225 535 S C 0.740 175.401 174.600 0.101 0.000 1.389 535 S CA 0.820 59.095 58.200 0.124 0.000 2.444 535 S CB -0.339 62.969 63.200 0.181 0.000 0.434 535 S HN 0.639 nan 8.310 nan 0.000 0.350 536 A N -1.030 121.845 122.820 0.092 0.000 2.309 536 A HA 0.735 5.054 4.320 -0.001 0.000 0.317 536 A C -0.260 177.374 177.584 0.083 0.000 1.134 536 A CA -0.727 51.361 52.037 0.085 0.000 0.866 536 A CB 0.342 19.374 19.000 0.053 0.000 1.329 536 A HN 0.771 nan 8.150 nan 0.000 0.477 537 L N -0.705 120.579 121.223 0.102 0.000 3.598 537 L HA -0.153 4.187 4.340 -0.001 0.000 0.422 537 L C -0.567 176.392 176.870 0.148 0.000 1.262 537 L CA -0.261 54.646 54.840 0.112 0.000 0.889 537 L CB -1.950 40.138 42.059 0.048 0.000 1.857 537 L HN 0.605 nan 8.230 nan 0.000 0.858 538 L N -0.132 121.207 121.223 0.194 0.000 2.416 538 L HA 0.463 4.803 4.340 -0.001 0.000 0.272 538 L C 1.533 178.493 176.870 0.149 0.000 1.161 538 L CA 0.345 55.268 54.840 0.140 0.000 0.845 538 L CB 0.036 42.160 42.059 0.109 0.000 1.119 538 L HN 0.192 nan 8.230 nan 0.000 0.464 539 G N 1.265 110.123 108.800 0.096 0.000 2.647 539 G HA2 0.060 4.019 3.960 -0.001 0.000 0.234 539 G HA3 0.060 4.019 3.960 -0.001 0.000 0.234 539 G C 0.839 175.788 174.900 0.081 0.000 1.252 539 G CA -0.219 44.929 45.100 0.081 0.000 0.846 539 G HN 0.777 nan 8.290 nan 0.000 0.589 540 T N 0.552 115.175 114.554 0.115 0.000 2.803 540 T HA -0.134 4.215 4.350 -0.001 0.000 0.269 540 T C 2.059 176.857 174.700 0.163 0.000 1.052 540 T CA 1.738 63.916 62.100 0.130 0.000 1.136 540 T CB -0.273 68.843 68.868 0.413 0.000 0.864 540 T HN 0.567 nan 8.240 nan 0.000 0.467 541 H N 1.270 120.345 119.070 0.007 0.000 2.521 541 H HA 0.114 4.670 4.556 -0.001 0.000 0.286 541 H C 1.700 176.999 175.328 -0.050 0.000 1.034 541 H CA 0.565 56.595 56.048 -0.031 0.000 1.278 541 H CB -0.008 29.760 29.762 0.011 0.000 1.386 541 H HN 0.200 nan 8.280 nan 0.000 0.567 542 K N 1.314 121.762 120.400 0.079 0.000 2.706 542 K HA 0.006 4.325 4.320 -0.001 0.000 0.217 542 K C -0.440 176.143 176.600 -0.029 0.000 1.019 542 K CA 0.361 56.662 56.287 0.023 0.000 1.181 542 K CB 0.215 32.731 32.500 0.026 0.000 0.940 542 K HN 0.403 nan 8.250 nan 0.000 0.491 543 D N -0.242 120.121 120.400 -0.062 0.000 3.078 543 D HA 0.197 4.837 4.640 -0.001 0.000 0.363 543 D C 0.319 176.537 176.300 -0.137 0.000 1.391 543 D CA 0.037 53.971 54.000 -0.109 0.000 0.754 543 D CB 1.175 41.876 40.800 -0.164 0.000 1.238 543 D HN 0.101 nan 8.370 nan 0.000 0.500 544 A N 0.806 123.552 122.820 -0.122 0.000 2.452 544 A HA 0.030 4.350 4.320 -0.001 0.000 0.147 544 A C 0.960 178.473 177.584 -0.118 0.000 1.842 544 A CA 0.432 52.380 52.037 -0.149 0.000 1.336 544 A CB 0.149 19.009 19.000 -0.234 0.000 1.524 544 A HN 0.230 nan 8.150 nan 0.000 0.369 545 N N -1.799 116.848 118.700 -0.087 0.000 2.070 545 N HA 0.157 4.897 4.740 -0.001 0.000 0.284 545 N C 0.950 176.440 175.510 -0.033 0.000 1.046 545 N CA 0.593 53.606 53.050 -0.062 0.000 0.730 545 N CB -0.118 38.326 38.487 -0.073 0.000 1.826 545 N HN 0.252 nan 8.380 nan 0.000 0.704 546 L N 0.898 122.111 121.223 -0.016 0.000 2.046 546 L HA 0.574 4.914 4.340 -0.001 0.000 0.203 546 L C 0.527 177.396 176.870 -0.002 0.000 1.111 546 L CA 0.819 55.659 54.840 -0.000 0.000 0.769 546 L CB -0.508 41.564 42.059 0.021 0.000 0.914 546 L HN 0.252 nan 8.230 nan 0.000 0.448 547 A N -0.304 122.517 122.820 0.000 0.000 2.401 547 A HA 0.392 4.711 4.320 -0.001 0.000 0.259 547 A C 0.594 178.173 177.584 -0.008 0.000 1.103 547 A CA 0.206 52.243 52.037 0.000 0.000 0.789 547 A CB 0.287 19.293 19.000 0.009 0.000 1.035 547 A HN 0.583 nan 8.150 nan 0.000 0.491 548 S N 3.008 118.704 115.700 -0.006 0.000 2.207 548 S HA 0.597 5.066 4.470 -0.001 0.000 0.226 548 S C 0.701 175.295 174.600 -0.010 0.000 1.286 548 S CA 0.237 58.431 58.200 -0.010 0.000 1.004 548 S CB -0.262 62.933 63.200 -0.008 0.000 0.907 548 S HN 1.422 nan 8.310 nan 0.000 0.443 549 I N -0.311 120.253 120.570 -0.009 0.000 9.243 549 I HA -0.116 4.053 4.170 -0.001 0.000 0.126 549 I C -2.631 173.478 176.117 -0.013 0.000 1.860 549 I CA -0.123 61.172 61.300 -0.008 0.000 2.054 549 I CB -1.448 36.550 38.000 -0.003 0.000 3.964 549 I HN 0.628 nan 8.210 nan 0.000 0.174 550 P HA 0.129 nan 4.420 nan 0.000 0.262 550 P C 0.959 178.246 177.300 -0.021 0.000 1.199 550 P CA -0.092 62.998 63.100 -0.017 0.000 0.763 550 P CB 0.337 32.028 31.700 -0.014 0.000 0.790 551 V N 2.119 122.014 119.914 -0.030 0.000 2.591 551 V HA -0.148 3.972 4.120 -0.001 0.000 0.249 551 V C 1.563 177.632 176.094 -0.042 0.000 1.053 551 V CA 1.399 63.675 62.300 -0.039 0.000 1.068 551 V CB -1.296 30.494 31.823 -0.055 0.000 0.689 551 V HN 0.320 nan 8.190 nan 0.000 0.462 552 E N 0.892 121.066 120.200 -0.043 0.000 2.338 552 E HA -0.136 4.214 4.350 -0.001 0.000 0.197 552 E C 1.943 178.517 176.600 -0.042 0.000 1.007 552 E CA 1.119 57.492 56.400 -0.046 0.000 0.849 552 E CB -0.199 29.473 29.700 -0.047 0.000 0.774 552 E HN 0.870 nan 8.360 nan 0.000 0.506 553 E N 0.667 120.851 120.200 -0.028 0.000 2.005 553 E HA -0.158 4.191 4.350 -0.001 0.000 0.191 553 E C 1.659 178.257 176.600 -0.003 0.000 0.987 553 E CA 0.818 57.206 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 0.115 nan 8.360 nan 0.000 0.453 554 L N 0.845 122.075 121.223 0.011 0.000 2.064 554 L HA -0.274 4.065 4.340 -0.001 0.000 0.216 554 L C 2.405 179.317 176.870 0.071 0.000 1.077 554 L CA 1.439 56.303 54.840 0.039 0.000 0.766 554 L CB -0.751 41.332 42.059 0.041 0.000 0.890 554 L HN 0.388 nan 8.230 nan 0.000 0.435 555 I N -0.614 119.994 120.570 0.064 0.000 2.093 555 I HA -0.389 3.780 4.170 -0.001 0.000 0.239 555 I C 2.543 178.717 176.117 0.095 0.000 1.026 555 I CA 1.928 63.308 61.300 0.134 0.000 1.295 555 I CB -1.266 36.775 38.000 0.068 0.000 1.007 555 I HN 0.486 nan 8.210 nan 0.000 0.401 556 E N 1.267 121.464 120.200 -0.005 0.000 2.001 556 E HA -0.168 4.181 4.350 -0.001 0.000 0.193 556 E C 1.488 178.100 176.600 0.019 0.000 0.994 556 E CA 0.787 57.168 56.400 -0.032 0.000 0.815 556 E CB -0.064 29.549 29.700 -0.146 0.000 0.770 556 E HN 0.384 nan 8.360 nan 0.000 0.453 557 K N 0.581 120.994 120.400 0.021 0.000 3.187 557 K HA -0.035 4.285 4.320 -0.001 0.000 0.274 557 K C 0.091 176.720 176.600 0.048 0.000 0.790 557 K CA -0.016 56.292 56.287 0.036 0.000 1.041 557 K CB -0.011 32.507 32.500 0.030 0.000 0.976 557 K HN 0.110 nan 8.250 nan 0.000 0.438 558 A N -0.140 122.711 122.820 0.052 0.000 3.972 558 A HA 0.462 4.782 4.320 -0.001 0.000 0.166 558 A C -0.956 176.648 177.584 0.033 0.000 0.722 558 A CA -0.489 51.585 52.037 0.062 0.000 1.045 558 A CB 1.044 20.104 19.000 0.101 0.000 1.949 558 A HN 0.165 nan 8.150 nan 0.000 0.853 559 D N -2.789 117.622 120.400 0.018 0.000 2.921 559 D HA 0.491 5.130 4.640 -0.001 0.000 0.329 559 D C 0.387 176.559 176.300 -0.214 0.000 1.293 559 D CA 0.337 54.297 54.000 -0.066 0.000 0.964 559 D CB 0.959 41.730 40.800 -0.049 0.000 1.435 559 D HN 0.735 nan 8.370 nan 0.000 0.548 560 G N -0.918 107.661 108.800 -0.368 0.000 2.466 560 G HA2 0.451 4.411 3.960 -0.001 0.000 0.279 560 G HA3 0.451 4.411 3.960 -0.001 0.000 0.279 560 G C -0.535 173.914 174.900 -0.752 0.000 1.410 560 G CA 0.382 44.989 45.100 -0.822 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 0.024 0.000 2.877 561 F HA 0.754 5.280 4.527 -0.001 0.000 0.319 561 F C -0.027 175.786 175.800 0.022 0.000 1.174 561 F CA -1.395 56.623 58.000 0.031 0.000 0.903 561 F CB 0.853 39.884 39.000 0.053 0.000 1.357 561 F HN 0.738 nan 8.300 nan 0.000 0.472 562 A N -0.336 122.655 122.820 0.285 0.000 2.346 562 A HA 0.884 5.203 4.320 -0.001 0.000 0.313 562 A C 0.746 178.398 177.584 0.114 0.000 1.140 562 A CA -0.219 51.896 52.037 0.130 0.000 0.826 562 A CB 0.694 19.735 19.000 0.069 0.000 1.332 562 A HN 2.449 nan 8.150 nan 0.000 0.457 563 G N -0.981 107.806 108.800 -0.022 0.000 5.353 563 G HA2 -0.144 3.815 3.960 -0.001 0.000 0.283 563 G HA3 -0.144 3.815 3.960 -0.001 0.000 0.283 563 G C 0.768 175.462 174.900 -0.343 0.000 1.457 563 G CA 0.995 46.034 45.100 -0.101 0.000 0.951 563 G HN 2.258 nan 8.290 nan 0.000 0.731 564 V N 0.606 120.549 119.914 0.048 0.000 5.043 564 V HA -0.238 3.881 4.120 -0.001 0.000 0.267 564 V C 0.960 176.746 176.094 -0.513 0.000 0.597 564 V CA 1.619 63.895 62.300 -0.039 0.000 0.703 564 V CB -2.575 29.294 31.823 0.077 0.000 0.558 564 V HN 1.097 nan 8.190 nan 0.000 1.038 565 F N 0.409 119.605 119.950 -1.256 0.000 2.563 565 F HA 0.259 4.786 4.527 -0.001 0.000 0.363 565 F C 0.118 175.618 175.800 -0.500 0.000 1.123 565 F CA -1.396 56.130 58.000 -0.790 0.000 1.307 565 F CB -0.468 38.202 39.000 -0.551 0.000 1.115 565 F HN 0.069 nan 8.300 nan 0.000 0.592 566 P HA -0.313 nan 4.420 nan 0.000 0.218 566 P C 1.416 178.841 177.300 0.209 0.000 1.132 566 P CA 2.459 65.618 63.100 0.098 0.000 0.968 566 P CB 0.006 31.766 31.700 0.100 0.000 0.783 567 E N -1.448 118.919 120.200 0.278 0.000 2.236 567 E HA -0.284 4.066 4.350 -0.001 0.000 0.205 567 E C 1.941 178.762 176.600 0.369 0.000 1.028 567 E CA 1.521 58.115 56.400 0.324 0.000 0.827 567 E CB -1.243 28.629 29.700 0.287 0.000 0.735 567 E HN 0.616 nan 8.360 nan 0.000 0.470 568 H N 1.205 120.372 119.070 0.162 0.000 2.253 568 H HA -0.086 4.469 4.556 -0.001 0.000 0.296 568 H C 2.333 177.729 175.328 0.113 0.000 1.074 568 H CA 1.411 57.531 56.048 0.119 0.000 1.263 568 H CB -0.101 29.754 29.762 0.155 0.000 1.363 568 H HN 0.090 nan 8.280 nan 0.000 0.489 569 K N 0.365 120.945 120.400 0.299 0.000 1.998 569 K HA -0.305 4.014 4.320 -0.001 0.000 0.228 569 K C 2.163 178.902 176.600 0.232 0.000 1.053 569 K CA 2.084 58.511 56.287 0.234 0.000 0.988 569 K CB -0.661 31.953 32.500 0.190 0.000 0.735 569 K HN 0.185 nan 8.250 nan 0.000 0.448 570 Y N 1.956 122.314 120.300 0.096 0.000 2.108 570 Y HA -0.386 4.163 4.550 -0.001 0.000 0.274 570 Y C 2.222 178.155 175.900 0.056 0.000 1.229 570 Y CA 2.371 60.512 58.100 0.067 0.000 1.129 570 Y CB -0.733 37.763 38.460 0.061 0.000 0.946 570 Y HN 0.240 nan 8.280 nan 0.000 0.509 571 E N -0.140 120.053 120.200 -0.013 0.000 2.016 571 E HA -0.106 4.243 4.350 -0.001 0.000 0.190 571 E C 2.187 178.751 176.600 -0.061 0.000 0.985 571 E CA 1.774 58.082 56.400 -0.154 0.000 0.802 571 E CB -0.497 29.119 29.700 -0.140 0.000 0.762 571 E HN 0.572 nan 8.360 nan 0.000 0.448 572 I N -0.026 120.548 120.570 0.007 0.000 2.479 572 I HA -0.259 3.911 4.170 -0.001 0.000 0.258 572 I C 2.104 178.264 176.117 0.071 0.000 1.165 572 I CA 0.536 61.850 61.300 0.023 0.000 1.422 572 I CB -0.348 37.714 38.000 0.103 0.000 1.087 572 I HN 0.051 nan 8.210 nan 0.000 0.441 573 V N 0.804 120.765 119.914 0.079 0.000 2.426 573 V HA -0.182 3.937 4.120 -0.001 0.000 0.242 573 V C 2.566 178.682 176.094 0.037 0.000 1.036 573 V CA 1.600 63.948 62.300 0.080 0.000 1.044 573 V CB -0.300 31.591 31.823 0.113 0.000 0.688 573 V HN 0.379 nan 8.190 nan 0.000 0.462 574 K N 0.095 120.492 120.400 -0.004 0.000 2.173 574 K HA -0.244 4.076 4.320 -0.001 0.000 0.207 574 K C 2.040 178.616 176.600 -0.040 0.000 1.046 574 K CA 1.530 57.789 56.287 -0.045 0.000 0.929 574 K CB 0.033 32.429 32.500 -0.173 0.000 0.720 574 K HN 0.271 nan 8.250 nan 0.000 0.453 575 K N 0.392 120.765 120.400 -0.044 0.000 2.098 575 K HA -0.017 4.303 4.320 -0.001 0.000 0.203 575 K C 2.197 178.778 176.600 -0.032 0.000 1.051 575 K CA 0.705 56.965 56.287 -0.044 0.000 0.957 575 K CB -0.397 32.068 32.500 -0.057 0.000 0.738 575 K HN 0.188 nan 8.250 nan 0.000 0.447 576 L N 1.873 123.087 121.223 -0.014 0.000 1.956 576 L HA -0.314 4.025 4.340 -0.001 0.000 0.216 576 L C 2.697 179.570 176.870 0.005 0.000 1.073 576 L CA 1.760 56.587 54.840 -0.022 0.000 0.762 576 L CB -0.498 41.581 42.059 0.034 0.000 0.889 576 L HN 0.257 nan 8.230 nan 0.000 0.433 577 Q N -0.747 119.080 119.800 0.045 0.000 2.152 577 Q HA -0.306 4.033 4.340 -0.001 0.000 0.206 577 Q C 2.023 178.059 176.000 0.061 0.000 0.985 577 Q CA 1.857 57.701 55.803 0.069 0.000 0.863 577 Q CB -0.402 28.365 28.738 0.049 0.000 0.904 577 Q HN 0.505 nan 8.270 nan 0.000 0.422 578 E N 0.833 121.048 120.200 0.025 0.000 2.267 578 E HA -0.176 4.174 4.350 -0.001 0.000 0.197 578 E C 1.364 177.983 176.600 0.032 0.000 0.998 578 E CA 0.411 56.822 56.400 0.018 0.000 0.830 578 E CB 0.201 29.896 29.700 -0.008 0.000 0.751 578 E HN 0.107 nan 8.360 nan 0.000 0.491 579 R N 0.972 121.488 120.500 0.026 0.000 2.346 579 R HA -0.005 4.335 4.340 -0.001 0.000 0.225 579 R C -0.242 176.234 176.300 0.293 0.000 0.987 579 R CA 0.142 56.275 56.100 0.054 0.000 1.106 579 R CB -0.011 30.176 30.300 -0.189 0.000 1.090 579 R HN -0.002 nan 8.270 nan 0.000 0.502 580 K N 0.585 121.108 120.400 0.204 0.000 3.393 580 K HA -0.194 4.125 4.320 -0.001 0.000 0.272 580 K C -1.195 175.514 176.600 0.183 0.000 1.004 580 K CA 0.727 57.109 56.287 0.158 0.000 0.764 580 K CB -2.064 30.489 32.500 0.089 0.000 1.373 580 K HN 0.367 nan 8.250 nan 0.000 0.458 581 H N -0.392 118.680 119.070 0.003 0.000 2.727 581 H HA 0.467 5.022 4.556 -0.001 0.000 0.330 581 H C 0.390 175.714 175.328 -0.007 0.000 0.986 581 H CA -0.671 55.378 56.048 0.001 0.000 1.251 581 H CB 0.792 30.559 29.762 0.009 0.000 1.493 581 H HN 0.136 nan 8.280 nan 0.000 0.515 582 I N 3.849 124.427 120.570 0.012 0.000 2.517 582 I HA 0.176 4.346 4.170 -0.001 0.000 0.285 582 I C -0.330 175.799 176.117 0.019 0.000 1.106 582 I CA 0.196 61.490 61.300 -0.009 0.000 1.402 582 I CB 0.136 38.099 38.000 -0.061 0.000 1.399 582 I HN 0.194 nan 8.210 nan 0.000 0.535 583 V N 5.361 125.289 119.914 0.024 0.000 2.777 583 V HA 0.613 4.732 4.120 -0.001 0.000 0.306 583 V C 0.182 176.287 176.094 0.019 0.000 1.112 583 V CA -0.625 61.694 62.300 0.033 0.000 0.917 583 V CB 1.943 33.805 31.823 0.066 0.000 1.018 583 V HN 0.856 nan 8.190 nan 0.000 0.426 584 G N 3.616 112.422 108.800 0.009 0.000 2.420 584 G HA2 0.804 4.763 3.960 -0.001 0.000 0.331 584 G HA3 0.804 4.763 3.960 -0.001 0.000 0.331 584 G C -0.961 173.947 174.900 0.013 0.000 1.168 584 G CA -0.574 44.530 45.100 0.006 0.000 0.936 584 G HN 0.701 nan 8.290 nan 0.000 0.479 585 M N 1.189 120.800 119.600 0.019 0.000 2.531 585 M HA 0.463 4.942 4.480 -0.001 0.000 0.286 585 M C -0.296 176.015 176.300 0.018 0.000 1.232 585 M CA -0.569 54.744 55.300 0.021 0.000 0.877 585 M CB 2.027 34.653 32.600 0.043 0.000 1.726 585 M HN 0.522 nan 8.290 nan 0.000 0.463 586 T N 1.498 116.059 114.554 0.011 0.000 2.748 586 T HA 0.651 5.000 4.350 -0.001 0.000 0.304 586 T C 0.191 174.902 174.700 0.017 0.000 1.041 586 T CA -0.072 62.033 62.100 0.009 0.000 1.033 586 T CB 0.875 69.743 68.868 0.000 0.000 0.995 586 T HN 0.802 nan 8.240 nan 0.000 0.536 587 G N -0.814 107.994 108.800 0.014 0.000 2.660 587 G HA2 0.579 4.538 3.960 -0.001 0.000 0.290 587 G HA3 0.579 4.538 3.960 -0.001 0.000 0.290 587 G C -0.820 174.089 174.900 0.014 0.000 1.432 587 G CA -0.468 44.643 45.100 0.017 0.000 0.807 587 G HN 0.651 nan 8.290 nan 0.000 0.485 588 D N -1.572 118.837 120.400 0.015 0.000 1.664 588 D HA 0.054 4.693 4.640 -0.001 0.000 0.621 588 D C 1.143 177.452 176.300 0.016 0.000 0.872 588 D CA 0.583 54.593 54.000 0.016 0.000 1.120 588 D CB -0.433 40.378 40.800 0.019 0.000 1.606 588 D HN 0.961 nan 8.370 nan 0.000 0.511 589 G N 1.320 110.130 108.800 0.016 0.000 2.569 589 G HA2 0.362 4.321 3.960 -0.001 0.000 0.249 589 G HA3 0.362 4.321 3.960 -0.001 0.000 0.249 589 G C 0.905 175.808 174.900 0.005 0.000 1.216 589 G CA 0.127 45.234 45.100 0.010 0.000 0.845 589 G HN 0.097 nan 8.290 nan 0.000 0.568 590 V N 1.147 121.058 119.914 -0.004 0.000 2.488 590 V HA -0.127 3.993 4.120 -0.001 0.000 0.246 590 V C 2.295 178.386 176.094 -0.004 0.000 1.046 590 V CA 1.838 64.135 62.300 -0.007 0.000 1.053 590 V CB -0.638 31.175 31.823 -0.016 0.000 0.679 590 V HN 0.774 nan 8.190 nan 0.000 0.458 591 N N 0.032 118.733 118.700 0.001 0.000 2.244 591 N HA -0.182 4.558 4.740 -0.001 0.000 0.183 591 N C 1.189 176.707 175.510 0.013 0.000 1.016 591 N CA 1.521 54.577 53.050 0.011 0.000 0.866 591 N CB -0.164 38.340 38.487 0.028 0.000 0.980 591 N HN 0.523 nan 8.380 nan 0.000 0.430 592 D N 1.019 121.429 120.400 0.017 0.000 2.354 592 D HA -0.078 4.562 4.640 -0.001 0.000 0.216 592 D C 1.781 178.087 176.300 0.011 0.000 0.970 592 D CA 0.413 54.428 54.000 0.024 0.000 0.905 592 D CB -0.081 40.734 40.800 0.024 0.000 0.903 592 D HN 0.246 nan 8.370 nan 0.000 0.508 593 A N 1.521 124.337 122.820 -0.007 0.000 1.870 593 A HA -0.226 4.094 4.320 -0.001 0.000 0.219 593 A C -0.059 177.499 177.584 -0.043 0.000 1.224 593 A CA 1.727 53.751 52.037 -0.022 0.000 0.650 593 A CB -1.767 17.214 19.000 -0.031 0.000 0.836 593 A HN 0.189 nan 8.150 nan 0.000 0.454 594 P HA -0.282 nan 4.420 nan 0.000 0.220 594 P C 1.729 178.981 177.300 -0.081 0.000 1.155 594 P CA 2.495 65.460 63.100 -0.224 0.000 0.880 594 P CB -0.230 31.266 31.700 -0.341 0.000 0.790 595 A N -0.738 122.104 122.820 0.036 0.000 1.834 595 A HA -0.207 4.113 4.320 -0.001 0.000 0.216 595 A C 2.271 179.895 177.584 0.067 0.000 1.203 595 A CA 1.877 53.978 52.037 0.107 0.000 0.621 595 A CB -1.665 17.399 19.000 0.107 0.000 0.841 595 A HN 0.091 nan 8.150 nan 0.000 0.446 596 L N -0.766 120.479 121.223 0.038 0.000 2.010 596 L HA -0.323 4.017 4.340 -0.001 0.000 0.219 596 L C 2.702 179.584 176.870 0.020 0.000 1.077 596 L CA 2.375 57.230 54.840 0.025 0.000 0.773 596 L CB -0.629 41.439 42.059 0.014 0.000 0.892 596 L HN 0.452 nan 8.230 nan 0.000 0.436 597 K N -0.001 120.402 120.400 0.006 0.000 1.991 597 K HA -0.251 4.069 4.320 -0.001 0.000 0.212 597 K C 2.277 178.893 176.600 0.026 0.000 1.049 597 K CA 1.668 57.958 56.287 0.005 0.000 0.932 597 K CB -0.044 32.444 32.500 -0.021 0.000 0.717 597 K HN -0.073 nan 8.250 nan 0.000 0.441 598 K N 1.069 121.497 120.400 0.047 0.000 1.985 598 K HA -0.000 4.319 4.320 -0.001 0.000 0.210 598 K C 0.016 176.668 176.600 0.086 0.000 1.047 598 K CA 1.369 57.717 56.287 0.103 0.000 0.932 598 K CB -0.921 31.721 32.500 0.236 0.000 0.716 598 K HN 0.252 nan 8.250 nan 0.000 0.439 599 A N 1.909 124.782 122.820 0.089 0.000 2.624 599 A HA -0.121 4.198 4.320 -0.001 0.000 0.231 599 A C 0.776 178.381 177.584 0.034 0.000 1.034 599 A CA 0.582 52.658 52.037 0.066 0.000 0.754 599 A CB -0.233 18.804 19.000 0.062 0.000 0.953 599 A HN 0.517 nan 8.150 nan 0.000 0.509 600 D N 0.462 120.875 120.400 0.021 0.000 2.205 600 D HA -0.198 4.442 4.640 -0.001 0.000 0.190 600 D C 1.449 177.736 176.300 -0.023 0.000 1.002 600 D CA 2.011 56.005 54.000 -0.010 0.000 0.848 600 D CB -0.254 40.533 40.800 -0.021 0.000 0.975 600 D HN 0.536 nan 8.370 nan 0.000 0.449 601 I N -1.507 119.052 120.570 -0.018 0.000 4.062 601 I HA 0.391 4.561 4.170 -0.001 0.000 0.202 601 I C 1.319 177.434 176.117 -0.004 0.000 1.549 601 I CA -0.172 61.115 61.300 -0.022 0.000 0.826 601 I CB -0.513 37.472 38.000 -0.025 0.000 1.835 601 I HN 0.196 nan 8.210 nan 0.000 0.851 602 G N 1.647 110.446 108.800 -0.002 0.000 4.357 602 G HA2 0.252 4.211 3.960 -0.001 0.000 0.234 602 G HA3 0.252 4.211 3.960 -0.001 0.000 0.234 602 G C -0.438 174.465 174.900 0.004 0.000 3.600 602 G CA -0.496 44.608 45.100 0.006 0.000 0.615 602 G HN 0.262 nan 8.290 nan 0.000 0.209 603 I N 0.823 121.395 120.570 0.002 0.000 2.683 603 I HA 0.454 4.624 4.170 -0.001 0.000 0.286 603 I C 0.569 176.688 176.117 0.003 0.000 1.175 603 I CA -0.098 61.202 61.300 -0.000 0.000 1.429 603 I CB 0.455 38.453 38.000 -0.004 0.000 1.371 603 I HN 0.418 nan 8.210 nan 0.000 0.569 604 A N 7.020 129.842 122.820 0.003 0.000 2.651 604 A HA 0.463 4.782 4.320 -0.001 0.000 0.290 604 A C -0.415 177.171 177.584 0.003 0.000 1.185 604 A CA -0.597 51.442 52.037 0.005 0.000 0.746 604 A CB 0.954 19.958 19.000 0.006 0.000 1.213 604 A HN 0.657 nan 8.150 nan 0.000 0.429 605 V N 3.161 123.076 119.914 0.002 0.000 2.763 605 V HA 0.491 4.611 4.120 -0.001 0.000 0.306 605 V C 1.051 177.148 176.094 0.004 0.000 1.059 605 V CA 0.393 62.693 62.300 0.001 0.000 1.138 605 V CB 0.607 32.429 31.823 -0.002 0.000 0.940 605 V HN 1.763 nan 8.190 nan 0.000 0.489 606 A N 4.641 127.463 122.820 0.003 0.000 2.609 606 A HA 0.150 4.469 4.320 -0.001 0.000 0.235 606 A C 1.168 178.757 177.584 0.008 0.000 1.092 606 A CA 0.917 52.956 52.037 0.005 0.000 0.780 606 A CB -0.460 18.542 19.000 0.004 0.000 1.031 606 A HN 1.722 nan 8.150 nan 0.000 0.515 607 D N -1.662 118.743 120.400 0.009 0.000 3.046 607 D HA -0.213 4.427 4.640 -0.001 0.000 0.210 607 D C 0.870 177.181 176.300 0.018 0.000 1.124 607 D CA 1.815 55.824 54.000 0.015 0.000 0.986 607 D CB -1.340 39.471 40.800 0.018 0.000 1.118 607 D HN 1.123 nan 8.370 nan 0.000 0.416 608 A N -0.017 122.811 122.820 0.013 0.000 2.258 608 A HA 0.382 4.701 4.320 -0.001 0.000 0.206 608 A C 0.812 178.403 177.584 0.013 0.000 1.222 608 A CA 1.862 53.907 52.037 0.014 0.000 0.822 608 A CB -0.768 18.238 19.000 0.010 0.000 0.804 608 A HN 1.348 nan 8.150 nan 0.000 0.483 609 T N -3.845 110.717 114.554 0.013 0.000 0.541 609 T HA -0.168 4.182 4.350 -0.001 0.000 0.774 609 T C -0.257 174.446 174.700 0.006 0.000 0.992 609 T CA 0.706 62.812 62.100 0.010 0.000 4.077 609 T CB -1.490 67.383 68.868 0.010 0.000 2.303 609 T HN 0.429 nan 8.240 nan 0.000 0.398 610 D N 1.549 121.951 120.400 0.004 0.000 2.363 610 D HA 0.426 5.065 4.640 -0.001 0.000 0.226 610 D C 2.010 178.316 176.300 0.009 0.000 1.020 610 D CA 0.942 54.945 54.000 0.004 0.000 0.892 610 D CB -0.223 40.577 40.800 -0.000 0.000 0.900 610 D HN 0.895 nan 8.370 nan 0.000 0.531 611 A N 0.801 123.626 122.820 0.008 0.000 1.871 611 A HA 0.322 4.642 4.320 -0.001 0.000 0.211 611 A C 2.246 179.836 177.584 0.009 0.000 1.207 611 A CA 0.940 52.983 52.037 0.010 0.000 0.620 611 A CB -0.800 18.203 19.000 0.005 0.000 0.860 611 A HN 0.199 nan 8.150 nan 0.000 0.450 612 A N 0.589 123.413 122.820 0.007 0.000 1.873 612 A HA -0.240 4.079 4.320 -0.001 0.000 0.218 612 A C 2.180 179.769 177.584 0.008 0.000 1.193 612 A CA 1.787 53.828 52.037 0.007 0.000 0.629 612 A CB -0.694 18.311 19.000 0.008 0.000 0.826 612 A HN 0.535 nan 8.150 nan 0.000 0.447 613 R N -1.014 119.491 120.500 0.009 0.000 2.140 613 R HA -0.206 4.133 4.340 -0.001 0.000 0.250 613 R C 2.174 178.481 176.300 0.011 0.000 1.150 613 R CA 1.293 57.398 56.100 0.009 0.000 0.966 613 R CB -1.083 29.221 30.300 0.008 0.000 0.869 613 R HN 0.563 nan 8.270 nan 0.000 0.445 614 G N 0.196 109.004 108.800 0.014 0.000 2.564 614 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.217 614 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.217 614 G C 1.000 175.909 174.900 0.016 0.000 1.120 614 G CA 0.906 46.017 45.100 0.018 0.000 0.752 614 G HN 0.481 nan 8.290 nan 0.000 0.558 615 A N -0.551 122.276 122.820 0.011 0.000 2.671 615 A HA 0.580 4.899 4.320 -0.001 0.000 0.265 615 A C 0.867 178.457 177.584 0.009 0.000 1.148 615 A CA 0.077 52.119 52.037 0.008 0.000 0.977 615 A CB 0.495 19.495 19.000 -0.001 0.000 1.242 615 A HN 0.158 nan 8.150 nan 0.000 0.591 616 S N 1.270 116.976 115.700 0.010 0.000 2.548 616 S HA 0.268 4.737 4.470 -0.001 0.000 0.277 616 S C -0.201 174.404 174.600 0.008 0.000 1.315 616 S CA -0.303 57.902 58.200 0.008 0.000 1.050 616 S CB 1.049 64.253 63.200 0.007 0.000 0.918 616 S HN 0.282 nan 8.310 nan 0.000 0.497 617 D N 1.112 121.515 120.400 0.004 0.000 2.328 617 D HA 0.354 4.993 4.640 -0.001 0.000 0.226 617 D C 0.578 176.875 176.300 -0.004 0.000 1.066 617 D CA 0.457 54.456 54.000 -0.001 0.000 0.861 617 D CB 0.018 40.811 40.800 -0.011 0.000 0.912 617 D HN 0.461 nan 8.370 nan 0.000 0.521 618 I N -1.960 118.610 120.570 -0.001 0.000 3.637 618 I HA 0.318 4.487 4.170 -0.001 0.000 0.304 618 I C -1.166 174.952 176.117 0.002 0.000 1.222 618 I CA -0.997 60.302 61.300 -0.001 0.000 1.170 618 I CB 1.978 39.976 38.000 -0.005 0.000 1.234 618 I HN -0.484 nan 8.210 nan 0.000 0.419 619 V N 2.272 122.186 119.914 0.001 0.000 2.912 619 V HA 0.092 4.212 4.120 -0.001 0.000 0.238 619 V C -1.321 174.774 176.094 0.002 0.000 1.859 619 V CA -0.483 61.819 62.300 0.002 0.000 0.800 619 V CB 1.449 33.274 31.823 0.003 0.000 1.233 619 V HN 0.386 nan 8.190 nan 0.000 0.523 620 L N 3.919 125.143 121.223 0.002 0.000 2.454 620 L HA 0.781 5.120 4.340 -0.001 0.000 0.256 620 L C 1.323 178.195 176.870 0.003 0.000 1.136 620 L CA 0.634 55.475 54.840 0.002 0.000 0.804 620 L CB 1.259 43.317 42.059 -0.000 0.000 1.181 620 L HN 0.823 nan 8.230 nan 0.000 0.469 621 T N -3.774 110.783 114.554 0.004 0.000 3.058 621 T HA 0.382 4.731 4.350 -0.001 0.000 0.278 621 T C 0.172 174.874 174.700 0.004 0.000 0.974 621 T CA -0.248 61.855 62.100 0.004 0.000 0.893 621 T CB 0.175 69.047 68.868 0.006 0.000 1.138 621 T HN 0.304 nan 8.240 nan 0.000 0.529 622 E N 1.812 122.014 120.200 0.003 0.000 2.234 622 E HA 0.526 4.875 4.350 -0.001 0.000 0.266 622 E C -2.075 174.523 176.600 -0.003 0.000 0.877 622 E CA -2.406 53.995 56.400 0.002 0.000 0.758 622 E CB 1.973 31.675 29.700 0.003 0.000 1.170 622 E HN -0.103 nan 8.360 nan 0.000 0.415 623 P HA -0.158 nan 4.420 nan 0.000 0.219 623 P C 0.203 177.492 177.300 -0.017 0.000 0.910 623 P CA 1.103 64.198 63.100 -0.008 0.000 1.033 623 P CB -0.217 31.481 31.700 -0.005 0.000 0.630 624 G N -0.632 108.153 108.800 -0.025 0.000 2.568 624 G HA2 -0.044 3.915 3.960 -0.001 0.000 0.231 624 G HA3 -0.044 3.915 3.960 -0.001 0.000 0.231 624 G C 0.797 175.670 174.900 -0.044 0.000 1.261 624 G CA -0.314 44.761 45.100 -0.042 0.000 0.855 624 G HN 0.354 nan 8.290 nan 0.000 0.576 625 L N 2.100 123.292 121.223 -0.051 0.000 2.349 625 L HA -0.072 4.267 4.340 -0.001 0.000 0.220 625 L C 2.665 179.504 176.870 -0.051 0.000 1.130 625 L CA 2.078 56.889 54.840 -0.047 0.000 0.791 625 L CB -0.494 41.534 42.059 -0.051 0.000 0.918 625 L HN 0.556 nan 8.230 nan 0.000 0.444 626 S N -2.120 113.540 115.700 -0.067 0.000 2.547 626 S HA -0.051 4.418 4.470 -0.001 0.000 0.235 626 S C 1.589 176.163 174.600 -0.043 0.000 0.980 626 S CA 0.994 59.152 58.200 -0.069 0.000 0.941 626 S CB -0.166 62.971 63.200 -0.105 0.000 0.763 626 S HN 0.354 nan 8.310 nan 0.000 0.532 627 V N 0.637 120.531 119.914 -0.034 0.000 2.690 627 V HA 0.150 4.270 4.120 -0.001 0.000 0.240 627 V C 2.116 178.200 176.094 -0.017 0.000 1.078 627 V CA 0.626 62.914 62.300 -0.020 0.000 1.102 627 V CB -0.506 31.308 31.823 -0.014 0.000 0.800 627 V HN 0.411 nan 8.190 nan 0.000 0.479 628 I N 0.246 120.804 120.570 -0.020 0.000 2.248 628 I HA -0.273 3.896 4.170 -0.001 0.000 0.248 628 I C 2.354 178.459 176.117 -0.019 0.000 1.107 628 I CA 1.912 63.201 61.300 -0.018 0.000 1.373 628 I CB -0.173 37.814 38.000 -0.021 0.000 1.055 628 I HN 0.311 nan 8.210 nan 0.000 0.418 629 I N -0.169 120.387 120.570 -0.023 0.000 2.756 629 I HA -0.205 3.964 4.170 -0.001 0.000 0.262 629 I C 2.330 178.437 176.117 -0.017 0.000 1.225 629 I CA 1.282 62.568 61.300 -0.023 0.000 1.472 629 I CB -0.088 37.895 38.000 -0.028 0.000 1.094 629 I HN 0.037 nan 8.210 nan 0.000 0.454 630 S N 0.478 116.170 115.700 -0.014 0.000 2.356 630 S HA 0.080 4.550 4.470 -0.001 0.000 0.219 630 S C 2.094 176.693 174.600 -0.003 0.000 1.036 630 S CA 0.860 59.056 58.200 -0.007 0.000 0.965 630 S CB -0.423 62.773 63.200 -0.006 0.000 0.864 630 S HN 0.579 nan 8.310 nan 0.000 0.471 631 A N 0.608 123.426 122.820 -0.004 0.000 2.272 631 A HA 0.001 4.320 4.320 -0.001 0.000 0.213 631 A C 2.009 179.589 177.584 -0.006 0.000 1.183 631 A CA 0.984 53.021 52.037 -0.001 0.000 0.719 631 A CB -0.511 18.488 19.000 -0.003 0.000 0.771 631 A HN 0.363 nan 8.150 nan 0.000 0.484 632 V N -1.601 118.307 119.914 -0.010 0.000 2.949 632 V HA 0.146 4.266 4.120 -0.001 0.000 0.245 632 V C 1.896 177.988 176.094 -0.003 0.000 1.086 632 V CA 1.135 63.426 62.300 -0.014 0.000 1.097 632 V CB 0.111 31.922 31.823 -0.020 0.000 0.762 632 V HN 0.542 nan 8.190 nan 0.000 0.470 633 L N -0.474 120.750 121.223 0.001 0.000 2.446 633 L HA 0.033 4.372 4.340 -0.001 0.000 0.219 633 L C 2.361 179.242 176.870 0.018 0.000 1.116 633 L CA 1.378 56.224 54.840 0.009 0.000 0.844 633 L CB 0.039 42.100 42.059 0.003 0.000 0.970 633 L HN 0.360 nan 8.230 nan 0.000 0.457 634 T N -2.029 112.535 114.554 0.018 0.000 2.770 634 T HA -0.159 4.190 4.350 -0.001 0.000 0.263 634 T C 1.922 176.647 174.700 0.041 0.000 1.039 634 T CA 1.814 63.930 62.100 0.026 0.000 1.142 634 T CB 0.114 68.997 68.868 0.025 0.000 0.868 634 T HN 0.232 nan 8.240 nan 0.000 0.435 635 S N -0.378 115.346 115.700 0.041 0.000 2.528 635 S HA 0.201 4.671 4.470 -0.001 0.000 0.219 635 S C 1.845 176.502 174.600 0.096 0.000 0.985 635 S CA 0.017 58.257 58.200 0.067 0.000 0.914 635 S CB -0.179 63.044 63.200 0.037 0.000 0.776 635 S HN 0.352 nan 8.310 nan 0.000 0.526 636 R N 0.121 120.660 120.500 0.065 0.000 2.339 636 R HA 0.179 4.519 4.340 -0.001 0.000 0.199 636 R C 1.315 177.694 176.300 0.132 0.000 1.018 636 R CA 0.841 56.997 56.100 0.093 0.000 1.036 636 R CB -0.045 30.282 30.300 0.045 0.000 0.899 636 R HN 0.406 nan 8.270 nan 0.000 0.473 637 A N -0.487 122.399 122.820 0.110 0.000 1.964 637 A HA 0.096 4.416 4.320 -0.001 0.000 0.198 637 A C 1.473 179.101 177.584 0.073 0.000 1.599 637 A CA -0.274 51.807 52.037 0.073 0.000 0.968 637 A CB -0.115 18.906 19.000 0.034 0.000 1.029 637 A HN 0.193 nan 8.150 nan 0.000 0.508 638 I N 0.105 120.727 120.570 0.087 0.000 2.264 638 I HA -0.203 3.967 4.170 -0.001 0.000 0.248 638 I C 2.100 178.286 176.117 0.115 0.000 1.111 638 I CA 1.330 62.678 61.300 0.080 0.000 1.382 638 I CB -0.596 37.450 38.000 0.077 0.000 1.060 638 I HN 0.504 nan 8.210 nan 0.000 0.418 639 F N 0.607 120.569 119.950 0.020 0.000 2.293 639 F HA -0.210 4.316 4.527 -0.001 0.000 0.300 639 F C 2.401 178.227 175.800 0.044 0.000 1.086 639 F CA 1.501 59.523 58.000 0.035 0.000 1.375 639 F CB -0.421 38.599 39.000 0.033 0.000 1.045 639 F HN 0.133 nan 8.300 nan 0.000 0.516 640 Q N 1.689 121.439 119.800 -0.082 0.000 2.050 640 Q HA -0.214 4.126 4.340 -0.001 0.000 0.202 640 Q C 2.421 178.300 176.000 -0.201 0.000 0.980 640 Q CA 2.511 58.187 55.803 -0.212 0.000 0.840 640 Q CB -0.380 28.342 28.738 -0.027 0.000 0.898 640 Q HN 0.587 nan 8.270 nan 0.000 0.424 641 R N -0.186 120.247 120.500 -0.113 0.000 2.080 641 R HA -0.147 4.192 4.340 -0.001 0.000 0.236 641 R C 2.306 178.610 176.300 0.006 0.000 1.137 641 R CA 1.839 57.907 56.100 -0.052 0.000 0.943 641 R CB -0.990 29.291 30.300 -0.032 0.000 0.846 641 R HN 0.328 nan 8.270 nan 0.000 0.431 642 M N 0.907 120.484 119.600 -0.037 0.000 2.108 642 M HA -0.182 4.297 4.480 -0.001 0.000 0.257 642 M C 2.348 178.639 176.300 -0.015 0.000 1.071 642 M CA 1.811 57.125 55.300 0.023 0.000 1.093 642 M CB -0.362 32.223 32.600 -0.025 0.000 1.345 642 M HN 0.150 nan 8.290 nan 0.000 0.403 643 K N 0.501 120.743 120.400 -0.263 0.000 1.987 643 K HA -0.117 4.202 4.320 -0.001 0.000 0.222 643 K C 1.560 178.123 176.600 -0.061 0.000 1.029 643 K CA 1.455 57.600 56.287 -0.237 0.000 1.011 643 K CB -0.842 31.408 32.500 -0.415 0.000 0.769 643 K HN 0.334 nan 8.250 nan 0.000 0.444 644 N N 0.603 119.274 118.700 -0.048 0.000 2.182 644 N HA -0.243 4.496 4.740 -0.001 0.000 0.192 644 N C 1.795 177.349 175.510 0.072 0.000 1.007 644 N CA 1.504 54.567 53.050 0.022 0.000 0.873 644 N CB -0.505 38.002 38.487 0.033 0.000 0.998 644 N HN 0.366 nan 8.380 nan 0.000 0.436 645 Y N 1.695 122.008 120.300 0.022 0.000 2.163 645 Y HA -0.146 4.403 4.550 -0.001 0.000 0.288 645 Y C 2.483 178.454 175.900 0.118 0.000 1.136 645 Y CA 1.631 59.763 58.100 0.053 0.000 1.147 645 Y CB -0.777 37.698 38.460 0.024 0.000 0.987 645 Y HN -0.109 nan 8.280 nan 0.000 0.509 646 T N 1.444 115.839 114.554 -0.264 0.000 2.580 646 T HA -0.227 4.123 4.350 -0.001 0.000 0.265 646 T C 1.743 176.283 174.700 -0.268 0.000 1.063 646 T CA 2.520 64.421 62.100 -0.332 0.000 1.170 646 T CB -0.535 68.309 68.868 -0.040 0.000 0.863 646 T HN 0.280 nan 8.240 nan 0.000 0.418 647 I N 0.579 121.085 120.570 -0.108 0.000 2.147 647 I HA -0.222 3.947 4.170 -0.001 0.000 0.245 647 I C 1.989 178.066 176.117 -0.067 0.000 1.059 647 I CA 1.445 62.712 61.300 -0.055 0.000 1.320 647 I CB -1.076 36.922 38.000 -0.003 0.000 1.021 647 I HN 0.452 nan 8.210 nan 0.000 0.415 648 Y N 1.463 121.639 120.300 -0.208 0.000 2.114 648 Y HA -0.214 4.335 4.550 -0.001 0.000 0.284 648 Y C 2.446 178.207 175.900 -0.232 0.000 1.143 648 Y CA 1.965 59.950 58.100 -0.190 0.000 1.135 648 Y CB -0.665 37.693 38.460 -0.170 0.000 0.980 648 Y HN 0.083 nan 8.280 nan 0.000 0.499 649 A N -0.172 122.424 122.820 -0.373 0.000 2.139 649 A HA -0.154 4.165 4.320 -0.001 0.000 0.221 649 A C 2.172 179.564 177.584 -0.319 0.000 1.159 649 A CA 1.946 53.714 52.037 -0.448 0.000 0.662 649 A CB -1.207 17.473 19.000 -0.533 0.000 0.796 649 A HN 0.454 nan 8.150 nan 0.000 0.463 650 V N -1.518 118.240 119.914 -0.259 0.000 2.436 650 V HA -0.095 4.025 4.120 -0.001 0.000 0.240 650 V C 2.595 178.572 176.094 -0.195 0.000 1.040 650 V CA 1.801 63.998 62.300 -0.171 0.000 1.052 650 V CB -0.397 31.363 31.823 -0.104 0.000 0.707 650 V HN 0.509 nan 8.190 nan 0.000 0.469 651 S N 0.146 115.720 115.700 -0.211 0.000 2.440 651 S HA -0.182 4.288 4.470 -0.001 0.000 0.240 651 S C 1.832 176.283 174.600 -0.247 0.000 1.014 651 S CA 1.264 59.344 58.200 -0.200 0.000 0.980 651 S CB -0.345 62.767 63.200 -0.147 0.000 0.775 651 S HN 0.347 nan 8.310 nan 0.000 0.499 652 I N 1.817 122.172 120.570 -0.358 0.000 2.099 652 I HA -0.149 4.021 4.170 -0.001 0.000 0.239 652 I C 2.154 178.172 176.117 -0.165 0.000 1.066 652 I CA 1.622 62.747 61.300 -0.291 0.000 1.324 652 I CB -1.159 36.620 38.000 -0.369 0.000 1.037 652 I HN 0.166 nan 8.210 nan 0.000 0.401 653 T N 1.103 115.555 114.554 -0.170 0.000 3.215 653 T HA 0.079 4.429 4.350 -0.001 0.000 0.254 653 T C 1.287 175.867 174.700 -0.200 0.000 1.149 653 T CA 0.456 62.469 62.100 -0.145 0.000 1.042 653 T CB -0.069 68.738 68.868 -0.102 0.000 0.966 653 T HN 0.062 nan 8.240 nan 0.000 0.534 654 I N 0.265 120.700 120.570 -0.224 0.000 4.025 654 I HA 0.310 4.479 4.170 -0.001 0.000 0.336 654 I C 1.830 177.740 176.117 -0.344 0.000 1.390 654 I CA 0.075 61.223 61.300 -0.253 0.000 1.099 654 I CB -0.279 37.614 38.000 -0.178 0.000 1.049 654 I HN 0.113 nan 8.210 nan 0.000 0.394 655 R N 1.642 121.910 120.500 -0.387 0.000 2.100 655 R HA 0.033 4.372 4.340 -0.001 0.000 0.220 655 R C 1.900 177.300 176.300 -1.499 0.000 1.091 655 R CA 0.567 56.389 56.100 -0.463 0.000 0.986 655 R CB -0.071 30.293 30.300 0.105 0.000 0.888 655 R HN 0.346 nan 8.270 nan 0.000 0.444 656 I N 0.516 119.974 120.570 -1.853 0.000 3.319 656 I HA -0.068 4.101 4.170 -0.001 0.000 0.340 656 I C 0.341 175.994 176.117 -0.772 0.000 1.079 656 I CA 0.497 60.725 61.300 -1.788 0.000 1.226 656 I CB 0.089 37.731 38.000 -0.597 0.000 0.990 656 I HN -0.116 nan 8.210 nan 0.000 0.626 657 V N -1.880 117.633 119.914 -0.668 0.000 3.542 657 V HA 0.179 4.298 4.120 -0.001 0.000 0.296 657 V C 1.595 177.665 176.094 -0.040 0.000 1.364 657 V CA 0.090 62.211 62.300 -0.299 0.000 1.118 657 V CB -1.963 29.666 31.823 -0.324 0.000 0.972 657 V HN 0.619 nan 8.190 nan 0.000 0.430 658 F N 1.918 121.942 119.950 0.123 0.000 2.059 658 F HA 0.339 4.865 4.527 -0.001 0.000 0.289 658 F C 2.433 178.306 175.800 0.121 0.000 1.128 658 F CA 1.232 59.333 58.000 0.168 0.000 1.181 658 F CB -1.414 37.802 39.000 0.361 0.000 1.012 658 F HN 0.112 nan 8.300 nan 0.000 0.473 659 G N -0.211 109.225 108.800 1.060 0.000 2.443 659 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.219 659 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.219 659 G C 1.490 176.522 174.900 0.221 0.000 1.131 659 G CA 0.525 45.890 45.100 0.441 0.000 0.775 659 G HN 0.492 nan 8.290 nan 0.000 0.547 660 F N 0.254 120.278 119.950 0.125 0.000 2.451 660 F HA 0.151 4.677 4.527 -0.001 0.000 0.299 660 F C 2.350 178.125 175.800 -0.042 0.000 1.101 660 F CA 0.778 58.790 58.000 0.020 0.000 1.436 660 F CB 0.183 39.176 39.000 -0.011 0.000 1.074 660 F HN 0.002 nan 8.300 nan 0.000 0.553 661 M N -0.346 119.339 119.600 0.142 0.000 2.369 661 M HA 0.047 4.526 4.480 -0.001 0.000 0.254 661 M C 1.227 177.393 176.300 -0.224 0.000 1.136 661 M CA 0.655 55.951 55.300 -0.007 0.000 1.190 661 M CB -0.744 31.870 32.600 0.023 0.000 1.289 661 M HN -0.079 nan 8.290 nan 0.000 0.468 662 L N 1.631 122.638 121.223 -0.361 0.000 3.168 662 L HA -0.035 4.304 4.340 -0.001 0.000 0.253 662 L C 1.083 177.607 176.870 -0.578 0.000 1.384 662 L CA 0.750 55.206 54.840 -0.641 0.000 1.131 662 L CB -1.082 40.321 42.059 -1.093 0.000 1.552 662 L HN 0.332 nan 8.230 nan 0.000 0.431 663 I N -1.180 119.172 120.570 -0.363 0.000 3.231 663 I HA 0.042 4.212 4.170 -0.001 0.000 0.271 663 I C 2.069 178.050 176.117 -0.227 0.000 1.035 663 I CA 0.751 61.893 61.300 -0.263 0.000 1.757 663 I CB -0.646 37.233 38.000 -0.202 0.000 1.803 663 I HN 0.142 nan 8.210 nan 0.000 0.392 664 A N 1.107 123.757 122.820 -0.283 0.000 2.139 664 A HA -0.166 4.154 4.320 -0.001 0.000 0.221 664 A C 1.802 179.279 177.584 -0.177 0.000 1.159 664 A CA 1.641 53.529 52.037 -0.247 0.000 0.662 664 A CB -0.547 18.230 19.000 -0.371 0.000 0.796 664 A HN 0.391 nan 8.150 nan 0.000 0.463 665 L N -0.904 120.201 121.223 -0.197 0.000 2.575 665 L HA 0.276 4.615 4.340 -0.001 0.000 0.188 665 L C 1.667 178.436 176.870 -0.169 0.000 1.290 665 L CA 0.547 55.286 54.840 -0.168 0.000 2.165 665 L CB -0.338 41.608 42.059 -0.187 0.000 1.984 665 L HN 0.235 nan 8.230 nan 0.000 1.006 666 I N -1.370 119.060 120.570 -0.234 0.000 6.460 666 I HA -0.043 4.126 4.170 -0.001 0.000 0.171 666 I C 0.437 176.483 176.117 -0.118 0.000 0.892 666 I CA -0.009 61.166 61.300 -0.208 0.000 1.533 666 I CB -1.552 36.239 38.000 -0.349 0.000 1.307 666 I HN 0.603 nan 8.210 nan 0.000 0.472 667 W N 2.764 123.961 121.300 -0.172 0.000 2.073 667 W HA 0.097 4.757 4.660 -0.001 0.000 0.358 667 W C 0.985 177.372 176.519 -0.220 0.000 1.321 667 W CA -0.121 57.128 57.345 -0.160 0.000 1.317 667 W CB -0.049 29.339 29.460 -0.121 0.000 1.226 667 W HN 0.243 nan 8.180 nan 0.000 0.622 668 E N 1.924 122.194 120.200 0.116 0.000 3.277 668 E HA 0.096 4.445 4.350 -0.001 0.000 0.426 668 E C 0.409 177.086 176.600 0.129 0.000 0.326 668 E CA -0.134 56.270 56.400 0.008 0.000 2.454 668 E CB -1.070 28.631 29.700 0.002 0.000 2.219 668 E HN 0.468 nan 8.360 nan 0.000 0.459 669 F N 2.891 122.986 119.950 0.241 0.000 2.350 669 F HA -0.032 4.495 4.527 -0.001 0.000 0.420 669 F C 0.287 176.318 175.800 0.385 0.000 0.939 669 F CA -0.577 57.527 58.000 0.174 0.000 1.066 669 F CB -0.716 38.292 39.000 0.013 0.000 0.876 669 F HN 0.021 nan 8.300 nan 0.000 0.515 670 D N 2.217 122.916 120.400 0.499 0.000 2.614 670 D HA 0.602 5.241 4.640 -0.001 0.000 0.264 670 D C 0.046 176.803 176.300 0.762 0.000 1.092 670 D CA -0.844 53.613 54.000 0.760 0.000 1.071 670 D CB 0.567 41.357 40.800 -0.017 0.000 1.443 670 D HN 0.272 nan 8.370 nan 0.000 0.528 671 F N -0.285 119.968 119.950 0.504 0.000 1.378 671 F HA -0.111 4.416 4.527 -0.001 0.000 0.066 671 F C 0.974 176.994 175.800 0.366 0.000 0.132 671 F CA 0.791 58.884 58.000 0.155 0.000 0.283 671 F CB -1.744 37.273 39.000 0.028 0.000 0.715 671 F HN 0.574 nan 8.300 nan 0.000 0.665 672 S N -2.641 113.322 115.700 0.438 0.000 2.683 672 S HA 0.701 5.170 4.470 -0.001 0.000 0.269 672 S C 0.169 174.881 174.600 0.186 0.000 1.165 672 S CA -0.358 58.028 58.200 0.310 0.000 0.840 672 S CB 1.050 64.431 63.200 0.302 0.000 1.169 672 S HN 0.903 nan 8.310 nan 0.000 0.490 673 A N 0.764 123.680 122.820 0.160 0.000 1.903 673 A HA 0.324 4.643 4.320 -0.001 0.000 0.217 673 A C 1.354 178.996 177.584 0.096 0.000 1.387 673 A CA 0.909 53.011 52.037 0.108 0.000 0.604 673 A CB -1.118 17.949 19.000 0.111 0.000 1.043 673 A HN 0.738 nan 8.150 nan 0.000 0.481 674 F N -0.878 119.069 119.950 -0.004 0.000 2.605 674 F HA -0.091 4.435 4.527 -0.001 0.000 0.296 674 F C 1.738 177.524 175.800 -0.023 0.000 1.146 674 F CA 1.065 59.042 58.000 -0.038 0.000 1.478 674 F CB 0.119 39.074 39.000 -0.076 0.000 1.107 674 F HN 0.114 nan 8.300 nan 0.000 0.600 675 M N -1.821 117.826 119.600 0.078 0.000 2.730 675 M HA 0.108 4.588 4.480 -0.001 0.000 0.258 675 M C 1.967 178.214 176.300 -0.089 0.000 1.279 675 M CA 0.683 56.001 55.300 0.031 0.000 1.183 675 M CB -0.548 32.128 32.600 0.127 0.000 1.291 675 M HN -0.063 nan 8.290 nan 0.000 0.518 676 V N 0.121 119.970 119.914 -0.109 0.000 2.488 676 V HA -0.145 3.975 4.120 -0.001 0.000 0.246 676 V C 2.285 178.269 176.094 -0.184 0.000 1.046 676 V CA 0.943 63.117 62.300 -0.210 0.000 1.053 676 V CB -0.349 31.332 31.823 -0.237 0.000 0.679 676 V HN 0.334 nan 8.190 nan 0.000 0.458 677 L N 0.261 121.372 121.223 -0.185 0.000 1.989 677 L HA -0.106 4.234 4.340 -0.001 0.000 0.211 677 L C 1.764 178.470 176.870 -0.273 0.000 1.071 677 L CA 2.158 56.861 54.840 -0.229 0.000 0.749 677 L CB -0.690 41.191 42.059 -0.297 0.000 0.890 677 L HN 0.241 nan 8.230 nan 0.000 0.431 678 I N 0.090 120.439 120.570 -0.367 0.000 3.539 678 I HA -0.056 4.113 4.170 -0.001 0.000 0.297 678 I C 1.547 177.580 176.117 -0.139 0.000 1.284 678 I CA 0.819 61.948 61.300 -0.284 0.000 1.355 678 I CB -0.747 37.059 38.000 -0.323 0.000 1.144 678 I HN 0.345 nan 8.210 nan 0.000 0.495 679 I N -0.503 119.988 120.570 -0.131 0.000 4.787 679 I HA 0.094 4.263 4.170 -0.001 0.000 0.309 679 I C 2.066 178.153 176.117 -0.050 0.000 1.169 679 I CA 0.498 61.741 61.300 -0.095 0.000 1.360 679 I CB 0.457 38.371 38.000 -0.144 0.000 1.591 679 I HN 0.099 nan 8.210 nan 0.000 0.480 680 A N 1.146 123.925 122.820 -0.068 0.000 1.878 680 A HA 0.052 4.372 4.320 -0.001 0.000 0.213 680 A C 1.986 179.570 177.584 -0.001 0.000 1.192 680 A CA 0.742 52.766 52.037 -0.022 0.000 0.619 680 A CB -0.486 18.490 19.000 -0.041 0.000 0.837 680 A HN 0.379 nan 8.150 nan 0.000 0.446 681 I N 0.685 121.232 120.570 -0.040 0.000 2.756 681 I HA -0.140 4.030 4.170 -0.001 0.000 0.262 681 I C 2.192 178.312 176.117 0.005 0.000 1.225 681 I CA 0.813 62.100 61.300 -0.022 0.000 1.472 681 I CB -0.360 37.603 38.000 -0.061 0.000 1.094 681 I HN 0.353 nan 8.210 nan 0.000 0.454 682 L N 2.144 123.363 121.223 -0.005 0.000 1.948 682 L HA -0.217 4.123 4.340 -0.001 0.000 0.212 682 L C 1.812 178.727 176.870 0.076 0.000 1.074 682 L CA 2.556 57.404 54.840 0.012 0.000 0.753 682 L CB -1.296 40.750 42.059 -0.021 0.000 0.888 682 L HN 0.468 nan 8.230 nan 0.000 0.432 683 N N -1.241 117.546 118.700 0.146 0.000 2.567 683 N HA -0.167 4.573 4.740 -0.001 0.000 0.195 683 N C 0.767 176.424 175.510 0.245 0.000 1.242 683 N CA 0.335 53.584 53.050 0.332 0.000 0.884 683 N CB 0.022 38.829 38.487 0.534 0.000 1.007 683 N HN 0.412 nan 8.380 nan 0.000 0.450 684 D N 1.528 122.017 120.400 0.148 0.000 2.121 684 D HA 0.008 4.648 4.640 -0.001 0.000 0.209 684 D C 1.802 178.166 176.300 0.107 0.000 0.981 684 D CA 1.237 55.304 54.000 0.112 0.000 0.875 684 D CB -0.626 40.216 40.800 0.070 0.000 1.016 684 D HN 0.360 nan 8.370 nan 0.000 0.452 685 G N -0.883 107.971 108.800 0.090 0.000 3.194 685 G HA2 -0.038 3.921 3.960 -0.001 0.000 0.208 685 G HA3 -0.038 3.921 3.960 -0.001 0.000 0.208 685 G C 0.578 175.544 174.900 0.110 0.000 1.240 685 G CA 1.364 46.511 45.100 0.079 0.000 1.044 685 G HN 0.421 nan 8.290 nan 0.000 0.495 686 T N -4.311 110.337 114.554 0.157 0.000 3.326 686 T HA 0.167 4.517 4.350 -0.001 0.000 0.302 686 T C 1.361 176.129 174.700 0.113 0.000 0.908 686 T CA -0.189 62.042 62.100 0.217 0.000 0.933 686 T CB -0.049 69.101 68.868 0.470 0.000 1.194 686 T HN 0.031 nan 8.240 nan 0.000 0.585 687 I N 0.717 121.332 120.570 0.075 0.000 3.265 687 I HA 0.419 4.588 4.170 -0.001 0.000 0.282 687 I C 1.131 177.224 176.117 -0.040 0.000 1.207 687 I CA 0.304 61.617 61.300 0.021 0.000 1.449 687 I CB 0.061 38.144 38.000 0.139 0.000 1.121 687 I HN 0.128 nan 8.210 nan 0.000 0.442 688 M N 0.724 120.316 119.600 -0.013 0.000 2.804 688 M HA 0.067 4.547 4.480 -0.001 0.000 0.208 688 M C 0.610 176.892 176.300 -0.031 0.000 1.109 688 M CA 0.621 55.898 55.300 -0.037 0.000 1.029 688 M CB -1.923 30.672 32.600 -0.009 0.000 1.806 688 M HN 0.113 nan 8.290 nan 0.000 0.491 689 T N -0.407 114.124 114.554 -0.040 0.000 3.243 689 T HA 0.291 4.640 4.350 -0.001 0.000 0.264 689 T C 0.452 175.130 174.700 -0.037 0.000 1.000 689 T CA -0.200 61.886 62.100 -0.023 0.000 0.901 689 T CB 0.382 69.243 68.868 -0.011 0.000 1.083 689 T HN 0.022 nan 8.240 nan 0.000 0.559 690 I N 2.169 122.696 120.570 -0.073 0.000 2.307 690 I HA 0.411 4.581 4.170 -0.001 0.000 0.287 690 I C 0.379 176.472 176.117 -0.039 0.000 1.054 690 I CA -0.691 60.570 61.300 -0.065 0.000 1.218 690 I CB 0.267 38.170 38.000 -0.161 0.000 1.398 690 I HN 0.051 nan 8.210 nan 0.000 0.475 691 S N 4.470 120.172 115.700 0.003 0.000 2.865 691 S HA 0.158 4.628 4.470 -0.001 0.000 0.240 691 S C 0.505 175.123 174.600 0.030 0.000 0.795 691 S CA -0.683 57.523 58.200 0.010 0.000 1.073 691 S CB 0.460 63.667 63.200 0.012 0.000 1.393 691 S HN 0.393 nan 8.310 nan 0.000 0.491 692 K N 2.250 122.677 120.400 0.045 0.000 2.170 692 K HA 0.223 4.543 4.320 -0.001 0.000 0.241 692 K C -0.379 176.229 176.600 0.013 0.000 1.071 692 K CA 0.330 56.660 56.287 0.073 0.000 0.822 692 K CB 0.111 32.680 32.500 0.115 0.000 1.097 692 K HN 0.174 nan 8.250 nan 0.000 0.522 693 D N 1.033 121.432 120.400 -0.001 0.000 2.549 693 D HA 0.367 5.007 4.640 -0.001 0.000 0.251 693 D C -0.101 176.165 176.300 -0.057 0.000 1.153 693 D CA -0.349 53.650 54.000 -0.001 0.000 0.861 693 D CB 1.242 42.076 40.800 0.055 0.000 1.207 693 D HN 0.241 nan 8.370 nan 0.000 0.543 694 R N 0.255 120.715 120.500 -0.066 0.000 2.869 694 R HA 0.614 4.953 4.340 -0.001 0.000 0.263 694 R C 0.544 176.844 176.300 0.001 0.000 1.066 694 R CA -1.069 54.984 56.100 -0.078 0.000 0.960 694 R CB 1.065 31.225 30.300 -0.233 0.000 1.221 694 R HN 0.177 nan 8.270 nan 0.000 0.474 695 V N -0.144 119.791 119.914 0.035 0.000 4.084 695 V HA 0.042 4.161 4.120 -0.001 0.000 0.270 695 V C 0.115 176.224 176.094 0.025 0.000 0.912 695 V CA 0.249 62.573 62.300 0.041 0.000 0.918 695 V CB -0.318 31.546 31.823 0.068 0.000 1.196 695 V HN 0.922 nan 8.190 nan 0.000 0.422 696 K N -0.705 119.712 120.400 0.027 0.000 2.793 696 K HA 0.493 4.813 4.320 -0.001 0.000 0.269 696 K C -3.091 173.524 176.600 0.025 0.000 1.124 696 K CA -1.127 55.175 56.287 0.026 0.000 1.074 696 K CB 1.305 33.814 32.500 0.013 0.000 1.322 696 K HN 0.490 nan 8.250 nan 0.000 0.532 697 P HA 0.271 nan 4.420 nan 0.000 0.310 697 P C 0.324 177.634 177.300 0.017 0.000 1.399 697 P CA 0.423 63.542 63.100 0.032 0.000 0.849 697 P CB 0.291 32.029 31.700 0.063 0.000 2.098 698 S N -4.349 111.361 115.700 0.017 0.000 6.084 698 S HA 0.199 4.669 4.470 -0.001 0.000 0.113 698 S C -2.651 171.943 174.600 -0.011 0.000 1.162 698 S CA -0.236 57.963 58.200 -0.003 0.000 1.406 698 S CB -1.383 61.810 63.200 -0.011 0.000 1.969 698 S HN 0.188 nan 8.310 nan 0.000 0.555 699 P HA 0.506 nan 4.420 nan 0.000 0.296 699 P C -1.085 176.235 177.300 0.034 0.000 1.306 699 P CA 0.227 63.325 63.100 -0.004 0.000 0.818 699 P CB 1.339 33.039 31.700 0.000 0.000 0.969 700 T N 1.114 115.664 114.554 -0.006 0.000 2.930 700 T HA 0.753 5.103 4.350 -0.001 0.000 0.313 700 T C -3.047 171.649 174.700 -0.006 0.000 1.019 700 T CA -1.921 60.182 62.100 0.005 0.000 1.004 700 T CB 1.432 70.119 68.868 -0.301 0.000 0.987 700 T HN 0.128 nan 8.240 nan 0.000 0.456 701 P HA 0.549 nan 4.420 nan 0.000 0.338 701 P C -2.036 175.570 177.300 0.512 0.000 1.528 701 P CA -0.526 62.774 63.100 0.333 0.000 1.327 701 P CB 2.005 33.892 31.700 0.312 0.000 1.965 702 D N 0.244 120.798 120.400 0.258 0.000 2.392 702 D HA 0.492 5.131 4.640 -0.001 0.000 0.228 702 D C 0.212 176.369 176.300 -0.239 0.000 1.074 702 D CA -0.727 53.367 54.000 0.157 0.000 0.838 702 D CB 1.029 41.961 40.800 0.220 0.000 1.067 702 D HN 0.317 nan 8.370 nan 0.000 0.511 703 S N 1.607 117.003 115.700 -0.508 0.000 6.019 703 S HA 0.000 4.470 4.470 -0.001 0.000 0.113 703 S C 1.047 175.546 174.600 -0.168 0.000 1.136 703 S CA -0.639 57.214 58.200 -0.578 0.000 1.404 703 S CB -0.777 61.840 63.200 -0.972 0.000 2.048 703 S HN 0.612 nan 8.310 nan 0.000 0.602 704 W N 4.597 125.904 121.300 0.012 0.000 3.096 704 W HA 0.252 4.911 4.660 -0.001 0.000 0.241 704 W C 1.631 178.147 176.519 -0.005 0.000 1.316 704 W CA 0.193 57.535 57.345 -0.005 0.000 1.520 704 W CB -0.383 29.072 29.460 -0.009 0.000 1.128 704 W HN 0.417 nan 8.180 nan 0.000 0.707 705 K N 2.218 122.965 120.400 0.579 0.000 2.155 705 K HA -0.154 4.165 4.320 -0.001 0.000 0.203 705 K C 1.653 178.342 176.600 0.148 0.000 1.052 705 K CA 0.780 57.237 56.287 0.285 0.000 0.948 705 K CB -1.135 31.525 32.500 0.266 0.000 0.728 705 K HN 0.349 nan 8.250 nan 0.000 0.448 706 L N 1.321 122.622 121.223 0.130 0.000 2.189 706 L HA -0.190 4.149 4.340 -0.001 0.000 0.214 706 L C 2.617 179.521 176.870 0.057 0.000 1.097 706 L CA 1.759 56.640 54.840 0.069 0.000 0.764 706 L CB -0.181 41.913 42.059 0.057 0.000 0.900 706 L HN 0.246 nan 8.230 nan 0.000 0.436 707 K N 0.145 120.586 120.400 0.070 0.000 2.186 707 K HA -0.175 4.144 4.320 -0.001 0.000 0.202 707 K C 1.918 178.546 176.600 0.048 0.000 1.052 707 K CA 1.173 57.484 56.287 0.041 0.000 0.965 707 K CB -0.269 32.244 32.500 0.021 0.000 0.746 707 K HN 0.253 nan 8.250 nan 0.000 0.457 708 E N 1.334 121.563 120.200 0.049 0.000 2.463 708 E HA -0.149 4.200 4.350 -0.001 0.000 0.201 708 E C 1.300 177.912 176.600 0.019 0.000 1.045 708 E CA 0.687 57.101 56.400 0.024 0.000 0.872 708 E CB -0.092 29.613 29.700 0.009 0.000 0.797 708 E HN 0.426 nan 8.360 nan 0.000 0.538 709 I N 0.198 120.787 120.570 0.033 0.000 2.333 709 I HA -0.161 4.008 4.170 -0.001 0.000 0.246 709 I C 2.307 178.428 176.117 0.006 0.000 1.106 709 I CA 0.563 61.866 61.300 0.004 0.000 1.411 709 I CB -1.398 36.598 38.000 -0.007 0.000 1.082 709 I HN 0.047 nan 8.210 nan 0.000 0.420 710 F N 2.534 122.422 119.950 -0.102 0.000 2.085 710 F HA -0.324 4.203 4.527 -0.001 0.000 0.299 710 F C 2.451 178.167 175.800 -0.139 0.000 1.096 710 F CA 2.201 60.128 58.000 -0.121 0.000 1.227 710 F CB -0.138 38.794 39.000 -0.113 0.000 0.983 710 F HN 0.063 nan 8.300 nan 0.000 0.482 711 A N -1.468 121.352 122.820 0.001 0.000 2.167 711 A HA 0.021 4.341 4.320 -0.001 0.000 0.214 711 A C 1.948 179.401 177.584 -0.218 0.000 1.151 711 A CA 1.468 53.403 52.037 -0.171 0.000 0.735 711 A CB -0.918 17.988 19.000 -0.157 0.000 0.802 711 A HN 0.463 nan 8.150 nan 0.000 0.467 712 T N -0.367 114.110 114.554 -0.128 0.000 2.837 712 T HA 0.104 4.454 4.350 -0.001 0.000 0.242 712 T C 1.945 176.582 174.700 -0.104 0.000 1.044 712 T CA 0.816 62.865 62.100 -0.085 0.000 1.202 712 T CB -0.963 67.875 68.868 -0.050 0.000 0.905 712 T HN 0.443 nan 8.240 nan 0.000 0.413 713 G N 1.917 110.635 108.800 -0.136 0.000 2.780 713 G HA2 -0.002 3.958 3.960 -0.001 0.000 0.205 713 G HA3 -0.002 3.958 3.960 -0.001 0.000 0.205 713 G C 1.431 176.202 174.900 -0.216 0.000 1.158 713 G CA 0.934 45.935 45.100 -0.165 0.000 0.812 713 G HN 0.507 nan 8.290 nan 0.000 0.521 714 V N -2.293 117.480 119.914 -0.234 0.000 2.341 714 V HA -0.006 4.113 4.120 -0.001 0.000 0.240 714 V C 2.528 178.582 176.094 -0.067 0.000 1.035 714 V CA 0.915 63.069 62.300 -0.243 0.000 1.033 714 V CB -0.882 30.751 31.823 -0.317 0.000 0.678 714 V HN 0.052 nan 8.190 nan 0.000 0.464 715 V N 0.420 120.339 119.914 0.009 0.000 2.568 715 V HA -0.202 3.918 4.120 -0.001 0.000 0.253 715 V C 2.593 178.783 176.094 0.159 0.000 1.072 715 V CA 1.933 64.298 62.300 0.110 0.000 1.084 715 V CB -0.634 31.277 31.823 0.147 0.000 0.676 715 V HN 0.406 nan 8.190 nan 0.000 0.469 716 L N 0.549 121.806 121.223 0.057 0.000 1.961 716 L HA 0.002 4.341 4.340 -0.001 0.000 0.210 716 L C 2.199 179.077 176.870 0.014 0.000 1.072 716 L CA 2.535 57.398 54.840 0.039 0.000 0.749 716 L CB -1.423 40.629 42.059 -0.011 0.000 0.889 716 L HN 0.372 nan 8.230 nan 0.000 0.432 717 G N -2.463 106.323 108.800 -0.023 0.000 3.651 717 G HA2 0.384 4.344 3.960 -0.001 0.000 0.279 717 G HA3 0.384 4.344 3.960 -0.001 0.000 0.279 717 G C 0.812 175.697 174.900 -0.026 0.000 1.024 717 G CA 0.433 45.537 45.100 0.007 0.000 0.813 717 G HN 0.470 nan 8.290 nan 0.000 0.518 718 G N -0.790 108.001 108.800 -0.015 0.000 4.238 718 G HA2 0.337 4.297 3.960 -0.001 0.000 0.292 718 G HA3 0.337 4.297 3.960 -0.001 0.000 0.292 718 G C 0.047 175.033 174.900 0.144 0.000 1.036 718 G CA -0.037 45.062 45.100 -0.001 0.000 0.812 718 G HN 0.346 nan 8.290 nan 0.000 0.489 719 Y N -1.040 119.256 120.300 -0.006 0.000 2.589 719 Y HA 0.152 4.701 4.550 -0.001 0.000 0.274 719 Y C 2.315 178.283 175.900 0.114 0.000 1.177 719 Y CA 0.226 58.372 58.100 0.076 0.000 1.123 719 Y CB 0.625 39.136 38.460 0.086 0.000 1.330 719 Y HN 0.203 nan 8.280 nan 0.000 0.518 720 Q N 1.286 121.028 119.800 -0.097 0.000 2.197 720 Q HA -0.204 4.135 4.340 -0.001 0.000 0.207 720 Q C 2.139 178.080 176.000 -0.099 0.000 0.984 720 Q CA 2.020 57.476 55.803 -0.578 0.000 0.869 720 Q CB -0.135 28.182 28.738 -0.701 0.000 0.906 720 Q HN 0.572 nan 8.270 nan 0.000 0.426 721 A N 0.462 123.272 122.820 -0.017 0.000 1.986 721 A HA -0.155 4.164 4.320 -0.001 0.000 0.220 721 A C 1.309 178.919 177.584 0.043 0.000 1.171 721 A CA 1.106 53.134 52.037 -0.015 0.000 0.640 721 A CB -0.459 18.539 19.000 -0.004 0.000 0.811 721 A HN 0.443 nan 8.150 nan 0.000 0.451 722 I N -0.206 120.444 120.570 0.132 0.000 3.600 722 I HA 0.056 4.225 4.170 -0.001 0.000 0.300 722 I C 1.218 177.446 176.117 0.185 0.000 1.284 722 I CA 0.731 62.126 61.300 0.158 0.000 1.259 722 I CB -0.951 37.178 38.000 0.216 0.000 1.081 722 I HN 0.508 nan 8.210 nan 0.000 0.465 723 M N -0.005 119.708 119.600 0.188 0.000 2.999 723 M HA 0.043 4.522 4.480 -0.001 0.000 0.246 723 M C 1.967 178.292 176.300 0.041 0.000 1.478 723 M CA 1.513 56.859 55.300 0.077 0.000 1.243 723 M CB -0.179 32.573 32.600 0.253 0.000 1.213 723 M HN 0.039 nan 8.290 nan 0.000 0.564 724 T N 0.524 115.097 114.554 0.031 0.000 2.570 724 T HA -0.140 4.209 4.350 -0.001 0.000 0.266 724 T C 1.394 176.150 174.700 0.093 0.000 1.071 724 T CA 2.277 64.413 62.100 0.060 0.000 1.172 724 T CB -0.507 68.284 68.868 -0.128 0.000 0.864 724 T HN 0.250 nan 8.240 nan 0.000 0.421 725 V N 1.653 121.571 119.914 0.007 0.000 3.504 725 V HA -0.025 4.095 4.120 -0.001 0.000 0.273 725 V C 1.674 177.881 176.094 0.188 0.000 1.228 725 V CA 0.974 63.303 62.300 0.047 0.000 1.189 725 V CB -1.185 30.635 31.823 -0.006 0.000 0.881 725 V HN 0.519 nan 8.190 nan 0.000 0.529 726 I N -2.172 118.552 120.570 0.255 0.000 3.790 726 I HA 0.130 4.300 4.170 -0.001 0.000 0.305 726 I C 1.239 177.627 176.117 0.451 0.000 1.253 726 I CA 0.830 62.316 61.300 0.310 0.000 1.355 726 I CB 0.154 38.297 38.000 0.239 0.000 1.137 726 I HN 0.218 nan 8.210 nan 0.000 0.435 727 F N 0.061 120.157 119.950 0.242 0.000 2.819 727 F HA 0.212 4.738 4.527 -0.001 0.000 0.294 727 F C 0.979 177.106 175.800 0.546 0.000 1.166 727 F CA -0.020 58.168 58.000 0.314 0.000 1.374 727 F CB 0.285 39.418 39.000 0.222 0.000 0.956 727 F HN -0.042 nan 8.300 nan 0.000 0.509 728 F N -2.340 117.744 119.950 0.223 0.000 2.411 728 F HA 0.185 4.712 4.527 -0.001 0.000 0.286 728 F C -0.137 175.789 175.800 0.210 0.000 0.858 728 F CA -0.608 57.505 58.000 0.190 0.000 1.080 728 F CB -0.086 39.034 39.000 0.199 0.000 0.961 728 F HN -0.216 nan 8.300 nan 0.000 0.742 729 W N 1.237 122.674 121.300 0.229 0.000 2.318 729 W HA 0.625 5.285 4.660 -0.001 0.000 0.315 729 W C -0.146 176.401 176.519 0.047 0.000 1.033 729 W CA -0.605 56.802 57.345 0.104 0.000 1.275 729 W CB 1.353 30.869 29.460 0.093 0.000 1.250 729 W HN 0.024 nan 8.180 nan 0.000 0.421 730 A N 4.586 127.330 122.820 -0.126 0.000 2.683 730 A HA 0.492 4.811 4.320 -0.001 0.000 0.207 730 A C 0.045 177.461 177.584 -0.279 0.000 0.945 730 A CA -0.079 51.858 52.037 -0.166 0.000 1.233 730 A CB -0.665 18.242 19.000 -0.156 0.000 1.227 730 A HN 0.798 nan 8.150 nan 0.000 0.470 731 A N 2.177 124.745 122.820 -0.421 0.000 2.752 731 A HA 0.431 4.750 4.320 -0.001 0.000 0.292 731 A C 1.076 178.534 177.584 -0.211 0.000 1.597 731 A CA 1.259 53.108 52.037 -0.313 0.000 1.241 731 A CB -1.234 17.546 19.000 -0.367 0.000 1.061 731 A HN 1.967 nan 8.150 nan 0.000 0.576 732 H N 0.277 119.240 119.070 -0.178 0.000 3.628 732 H HA -0.113 4.443 4.556 -0.001 0.000 0.173 732 H C -0.285 175.010 175.328 -0.055 0.000 0.941 732 H CA 1.100 57.072 56.048 -0.127 0.000 1.224 732 H CB -1.391 28.306 29.762 -0.107 0.000 0.992 732 H HN 0.570 nan 8.280 nan 0.000 0.383 733 K N 1.680 121.919 120.400 -0.269 0.000 2.589 733 K HA 0.091 4.410 4.320 -0.001 0.000 0.204 733 K C 1.302 177.896 176.600 -0.010 0.000 1.029 733 K CA 1.102 57.300 56.287 -0.148 0.000 1.177 733 K CB 0.089 32.523 32.500 -0.111 0.000 0.902 733 K HN 0.729 nan 8.250 nan 0.000 0.501 734 T N -3.275 111.269 114.554 -0.017 0.000 3.594 734 T HA -0.040 4.310 4.350 -0.001 0.000 0.315 734 T C 0.236 174.914 174.700 -0.036 0.000 0.912 734 T CA -0.435 61.644 62.100 -0.034 0.000 0.985 734 T CB -0.130 68.657 68.868 -0.134 0.000 1.201 734 T HN 0.025 nan 8.240 nan 0.000 0.569 735 D N 1.098 121.538 120.400 0.066 0.000 2.403 735 D HA -0.010 4.629 4.640 -0.001 0.000 0.260 735 D C 0.881 177.358 176.300 0.295 0.000 1.243 735 D CA -0.864 53.181 54.000 0.075 0.000 0.918 735 D CB -1.009 39.934 40.800 0.238 0.000 0.939 735 D HN 0.585 nan 8.370 nan 0.000 0.507 736 F N 0.225 120.216 119.950 0.068 0.000 2.805 736 F HA 0.085 4.612 4.527 -0.001 0.000 0.301 736 F C 0.135 176.063 175.800 0.213 0.000 1.196 736 F CA -0.320 57.756 58.000 0.126 0.000 1.439 736 F CB -0.409 38.595 39.000 0.007 0.000 1.117 736 F HN -0.145 nan 8.300 nan 0.000 0.581 737 F N 0.006 119.850 119.950 -0.177 0.000 3.097 737 F HA -0.364 4.163 4.527 -0.001 0.000 0.278 737 F C 1.273 176.881 175.800 -0.320 0.000 0.917 737 F CA 0.901 58.755 58.000 -0.243 0.000 0.962 737 F CB -1.853 37.004 39.000 -0.238 0.000 0.964 737 F HN 0.178 nan 8.300 nan 0.000 0.668 738 S N -1.771 113.822 115.700 -0.178 0.000 2.752 738 S HA 0.022 4.491 4.470 -0.001 0.000 0.242 738 S C 0.484 174.994 174.600 -0.149 0.000 0.914 738 S CA -0.008 58.097 58.200 -0.158 0.000 1.427 738 S CB -0.063 63.002 63.200 -0.226 0.000 1.244 738 S HN 0.467 nan 8.310 nan 0.000 0.655 739 D N 1.604 121.834 120.400 -0.284 0.000 2.249 739 D HA 0.323 4.962 4.640 -0.001 0.000 0.269 739 D C 0.594 176.533 176.300 -0.601 0.000 1.220 739 D CA 0.654 54.220 54.000 -0.723 0.000 1.016 739 D CB 0.075 40.334 40.800 -0.902 0.000 1.133 739 D HN 0.382 nan 8.370 nan 0.000 0.533 740 T N -5.347 108.829 114.554 -0.629 0.000 2.754 740 T HA 0.344 4.693 4.350 -0.001 0.000 0.296 740 T C 0.989 175.695 174.700 0.010 0.000 1.205 740 T CA -0.818 61.150 62.100 -0.221 0.000 1.009 740 T CB 0.164 69.034 68.868 0.004 0.000 1.368 740 T HN 0.217 nan 8.240 nan 0.000 0.509 741 F N 1.370 121.363 119.950 0.071 0.000 2.041 741 F HA 0.031 4.557 4.527 -0.001 0.000 0.296 741 F C 2.784 178.640 175.800 0.094 0.000 1.147 741 F CA 2.713 60.740 58.000 0.044 0.000 1.214 741 F CB -1.002 38.019 39.000 0.033 0.000 0.947 741 F HN 1.149 nan 8.300 nan 0.000 0.511 742 G N -0.536 108.524 108.800 0.434 0.000 4.039 742 G HA2 -0.393 3.566 3.960 -0.001 0.000 0.220 742 G HA3 -0.393 3.566 3.960 -0.001 0.000 0.220 742 G C 0.926 175.952 174.900 0.211 0.000 1.391 742 G CA 0.479 45.794 45.100 0.359 0.000 0.920 742 G HN 0.394 nan 8.290 nan 0.000 0.599 743 V N 2.934 122.873 119.914 0.041 0.000 2.288 743 V HA -0.250 3.869 4.120 -0.001 0.000 0.229 743 V C 2.855 178.846 176.094 -0.173 0.000 0.983 743 V CA 3.292 65.553 62.300 -0.064 0.000 1.006 743 V CB -1.077 30.677 31.823 -0.116 0.000 0.660 743 V HN 0.688 nan 8.190 nan 0.000 0.490 744 R N 0.614 120.985 120.500 -0.216 0.000 2.293 744 R HA -0.217 4.122 4.340 -0.001 0.000 0.228 744 R C 1.667 177.834 176.300 -0.223 0.000 1.105 744 R CA 1.838 57.786 56.100 -0.254 0.000 0.860 744 R CB -1.913 28.258 30.300 -0.215 0.000 0.923 744 R HN 0.585 nan 8.270 nan 0.000 0.414 745 S N 1.753 117.366 115.700 -0.146 0.000 2.575 745 S HA 0.099 4.568 4.470 -0.001 0.000 0.295 745 S C 1.163 175.669 174.600 -0.156 0.000 1.267 745 S CA -0.403 57.727 58.200 -0.118 0.000 1.074 745 S CB -0.072 63.096 63.200 -0.054 0.000 0.829 745 S HN 0.278 nan 8.310 nan 0.000 0.497 746 I N 3.164 123.606 120.570 -0.213 0.000 3.545 746 I HA 0.503 4.672 4.170 -0.001 0.000 0.207 746 I C 1.184 177.190 176.117 -0.185 0.000 1.437 746 I CA -1.401 59.675 61.300 -0.373 0.000 0.700 746 I CB -0.388 37.276 38.000 -0.561 0.000 1.832 746 I HN 0.702 nan 8.210 nan 0.000 0.908 747 R N 0.238 120.657 120.500 -0.135 0.000 3.797 747 R HA -0.195 4.145 4.340 -0.001 0.000 0.502 747 R C 0.786 177.116 176.300 0.050 0.000 0.241 747 R CA 1.256 57.371 56.100 0.025 0.000 1.568 747 R CB -1.280 29.024 30.300 0.008 0.000 1.016 747 R HN 0.754 nan 8.270 nan 0.000 0.558 748 D N 0.147 120.587 120.400 0.067 0.000 2.357 748 D HA -0.176 4.464 4.640 -0.001 0.000 0.216 748 D C 1.130 177.448 176.300 0.030 0.000 0.973 748 D CA 1.035 55.066 54.000 0.052 0.000 0.912 748 D CB -0.266 40.574 40.800 0.067 0.000 0.900 748 D HN 0.290 nan 8.370 nan 0.000 0.501 749 N N 0.113 118.831 118.700 0.031 0.000 2.422 749 N HA -0.092 4.648 4.740 -0.001 0.000 0.181 749 N C 1.051 176.578 175.510 0.028 0.000 1.080 749 N CA 0.485 53.576 53.050 0.067 0.000 0.893 749 N CB 0.461 39.002 38.487 0.089 0.000 0.973 749 N HN 0.125 nan 8.380 nan 0.000 0.456 750 N N -0.860 117.803 118.700 -0.063 0.000 2.451 750 N HA -0.107 4.632 4.740 -0.001 0.000 0.308 750 N C 1.187 176.576 175.510 -0.202 0.000 0.699 750 N CA -0.035 52.936 53.050 -0.133 0.000 1.060 750 N CB -0.493 37.962 38.487 -0.054 0.000 1.865 750 N HN 0.102 nan 8.380 nan 0.000 1.333 751 H N 1.615 120.449 119.070 -0.393 0.000 2.312 751 H HA 0.079 4.634 4.556 -0.001 0.000 0.299 751 H C 0.456 175.785 175.328 0.002 0.000 1.051 751 H CA 1.977 57.845 56.048 -0.300 0.000 1.227 751 H CB -0.313 29.169 29.762 -0.466 0.000 1.389 751 H HN 0.299 nan 8.280 nan 0.000 0.524 752 E N 0.489 120.751 120.200 0.104 0.000 2.501 752 E HA -0.101 4.248 4.350 -0.001 0.000 0.203 752 E C 2.012 178.584 176.600 -0.046 0.000 1.072 752 E CA 0.221 56.646 56.400 0.041 0.000 0.885 752 E CB 0.039 29.871 29.700 0.220 0.000 0.813 752 E HN 0.314 nan 8.360 nan 0.000 0.556 753 L N -0.285 120.875 121.223 -0.105 0.000 2.004 753 L HA -0.139 4.201 4.340 -0.001 0.000 0.205 753 L C 1.885 178.630 176.870 -0.209 0.000 1.089 753 L CA 1.438 56.169 54.840 -0.182 0.000 0.756 753 L CB -0.016 41.871 42.059 -0.288 0.000 0.900 753 L HN 0.125 nan 8.230 nan 0.000 0.440 754 M N -0.675 118.787 119.600 -0.229 0.000 2.429 754 M HA 0.205 4.685 4.480 -0.001 0.000 0.265 754 M C 1.975 178.267 176.300 -0.013 0.000 1.120 754 M CA 1.048 56.260 55.300 -0.148 0.000 1.173 754 M CB -1.852 30.624 32.600 -0.208 0.000 1.343 754 M HN 0.337 nan 8.290 nan 0.000 0.464 755 G N -0.137 108.654 108.800 -0.015 0.000 3.024 755 G HA2 0.181 4.140 3.960 -0.001 0.000 0.202 755 G HA3 0.181 4.140 3.960 -0.001 0.000 0.202 755 G C 0.881 175.838 174.900 0.095 0.000 1.195 755 G CA 0.900 46.061 45.100 0.101 0.000 0.924 755 G HN 0.545 nan 8.290 nan 0.000 0.500 756 A N -1.452 121.364 122.820 -0.008 0.000 2.733 756 A HA 0.471 4.790 4.320 -0.001 0.000 0.232 756 A C 1.092 178.645 177.584 -0.052 0.000 1.251 756 A CA 0.813 52.826 52.037 -0.040 0.000 1.015 756 A CB 0.560 19.544 19.000 -0.027 0.000 1.291 756 A HN 0.648 nan 8.150 nan 0.000 0.595 757 V N -3.803 116.091 119.914 -0.034 0.000 3.157 757 V HA 0.129 4.248 4.120 -0.001 0.000 0.253 757 V C 1.605 177.743 176.094 0.072 0.000 1.637 757 V CA 0.625 62.901 62.300 -0.040 0.000 1.058 757 V CB -1.204 30.534 31.823 -0.143 0.000 0.917 757 V HN 0.292 nan 8.190 nan 0.000 0.417 758 Y N 2.411 122.676 120.300 -0.059 0.000 2.465 758 Y HA 0.093 4.642 4.550 -0.001 0.000 0.289 758 Y C 1.206 177.125 175.900 0.030 0.000 1.150 758 Y CA 0.550 58.654 58.100 0.006 0.000 1.293 758 Y CB -0.223 38.243 38.460 0.010 0.000 0.977 758 Y HN 0.269 nan 8.280 nan 0.000 0.556 759 L N 2.434 123.761 121.223 0.174 0.000 2.583 759 L HA 0.136 4.475 4.340 -0.001 0.000 0.239 759 L C -0.218 176.713 176.870 0.101 0.000 1.347 759 L CA 0.288 55.167 54.840 0.066 0.000 1.246 759 L CB -0.303 41.704 42.059 -0.087 0.000 1.496 759 L HN 0.113 nan 8.230 nan 0.000 0.413 760 Q N 0.606 120.519 119.800 0.189 0.000 3.400 760 Q HA 0.190 4.529 4.340 -0.001 0.000 0.232 760 Q C -0.180 175.997 176.000 0.296 0.000 0.696 760 Q CA 0.161 56.091 55.803 0.212 0.000 0.961 760 Q CB 1.061 29.880 28.738 0.135 0.000 1.545 760 Q HN 0.293 nan 8.270 nan 0.000 0.371 761 V N -1.279 118.816 119.914 0.302 0.000 4.311 761 V HA 0.019 4.138 4.120 -0.001 0.000 0.154 761 V C 1.304 177.568 176.094 0.283 0.000 1.381 761 V CA 0.834 63.323 62.300 0.315 0.000 1.066 761 V CB 0.673 32.709 31.823 0.355 0.000 1.129 761 V HN 0.293 nan 8.190 nan 0.000 0.612 762 S N 0.049 115.892 115.700 0.240 0.000 2.522 762 S HA 0.066 4.536 4.470 -0.001 0.000 0.227 762 S C 1.644 176.361 174.600 0.194 0.000 0.986 762 S CA 0.709 59.015 58.200 0.176 0.000 0.929 762 S CB -0.103 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 1.336 122.062 120.570 0.259 0.000 2.585 763 I HA 0.242 4.411 4.170 -0.001 0.000 0.254 763 I C 0.698 177.067 176.117 0.420 0.000 1.129 763 I CA 0.805 62.319 61.300 0.356 0.000 1.455 763 I CB -0.253 38.015 38.000 0.448 0.000 1.111 763 I HN 0.217 nan 8.210 nan 0.000 0.433 764 I N 0.531 121.330 120.570 0.382 0.000 2.664 764 I HA 0.014 4.183 4.170 -0.001 0.000 0.291 764 I C 1.490 177.703 176.117 0.160 0.000 1.120 764 I CA 0.096 61.544 61.300 0.248 0.000 1.503 764 I CB -0.181 38.014 38.000 0.324 0.000 1.506 764 I HN 0.007 nan 8.210 nan 0.000 0.621 765 S N 1.434 117.257 115.700 0.205 0.000 2.503 765 S HA -0.077 4.393 4.470 -0.001 0.000 0.215 765 S C 1.980 176.575 174.600 -0.009 0.000 1.003 765 S CA 0.346 58.649 58.200 0.172 0.000 0.910 765 S CB 0.204 63.575 63.200 0.285 0.000 0.790 765 S HN 0.714 nan 8.310 nan 0.000 0.514 766 Q N 0.733 120.291 119.800 -0.403 0.000 2.119 766 Q HA 0.051 4.390 4.340 -0.001 0.000 0.201 766 Q C 1.947 177.542 176.000 -0.676 0.000 0.972 766 Q CA 1.505 56.774 55.803 -0.889 0.000 0.847 766 Q CB -0.630 27.297 28.738 -1.351 0.000 0.903 766 Q HN 0.478 nan 8.270 nan 0.000 0.433 767 A N 0.330 122.843 122.820 -0.512 0.000 2.225 767 A HA -0.035 4.285 4.320 -0.001 0.000 0.215 767 A C 1.456 178.842 177.584 -0.329 0.000 1.164 767 A CA 0.834 52.575 52.037 -0.492 0.000 0.710 767 A CB -0.009 18.872 19.000 -0.198 0.000 0.780 767 A HN 0.381 nan 8.150 nan 0.000 0.473 768 L N -1.957 119.133 121.223 -0.222 0.000 2.817 768 L HA 0.377 4.717 4.340 -0.001 0.000 0.248 768 L C 0.487 177.324 176.870 -0.056 0.000 1.133 768 L CA 0.230 55.006 54.840 -0.107 0.000 0.935 768 L CB 0.062 42.047 42.059 -0.123 0.000 1.266 768 L HN 0.207 nan 8.230 nan 0.000 0.535 769 I N -0.363 120.156 120.570 -0.085 0.000 2.781 769 I HA 0.176 4.346 4.170 -0.001 0.000 0.303 769 I C 0.105 176.384 176.117 0.270 0.000 1.161 769 I CA 0.441 61.766 61.300 0.042 0.000 1.341 769 I CB -0.489 37.531 38.000 0.032 0.000 1.585 769 I HN -0.030 nan 8.210 nan 0.000 0.567 770 F N 1.438 121.254 119.950 -0.225 0.000 2.974 770 F HA 0.250 4.777 4.527 -0.001 0.000 0.357 770 F C 0.381 175.943 175.800 -0.397 0.000 1.114 770 F CA -0.421 57.333 58.000 -0.410 0.000 1.099 770 F CB 0.247 38.847 39.000 -0.666 0.000 1.205 770 F HN -0.064 nan 8.300 nan 0.000 0.535 771 V N -0.090 119.825 119.914 0.001 0.000 2.334 771 V HA 0.425 4.545 4.120 -0.001 0.000 0.267 771 V C 0.781 176.876 176.094 0.002 0.000 1.040 771 V CA 0.055 62.391 62.300 0.060 0.000 0.866 771 V CB 0.348 32.278 31.823 0.179 0.000 1.019 771 V HN 0.287 nan 8.190 nan 0.000 0.468 772 T N 1.790 116.349 114.554 0.009 0.000 3.086 772 T HA 0.307 4.656 4.350 -0.001 0.000 0.250 772 T C 1.011 175.649 174.700 -0.104 0.000 1.074 772 T CA 0.499 62.578 62.100 -0.036 0.000 0.988 772 T CB -0.060 68.808 68.868 0.001 0.000 0.988 772 T HN 0.779 nan 8.240 nan 0.000 0.530 773 R N 0.218 120.611 120.500 -0.178 0.000 2.458 773 R HA -0.006 4.334 4.340 -0.001 0.000 0.039 773 R C -0.321 175.916 176.300 -0.104 0.000 0.512 773 R CA 0.544 56.446 56.100 -0.329 0.000 0.900 773 R CB -0.573 29.681 30.300 -0.076 0.000 0.866 773 R HN 0.409 nan 8.270 nan 0.000 0.569 774 S N 0.202 115.985 115.700 0.138 0.000 2.713 774 S HA 0.632 5.102 4.470 -0.001 0.000 0.277 774 S C -0.254 174.664 174.600 0.530 0.000 1.168 774 S CA -0.971 57.457 58.200 0.381 0.000 0.994 774 S CB 1.166 64.711 63.200 0.574 0.000 1.054 774 S HN 0.136 nan 8.310 nan 0.000 0.555 775 R N 0.734 121.494 120.500 0.434 0.000 2.393 775 R HA 0.468 4.807 4.340 -0.001 0.000 0.310 775 R C 0.700 177.249 176.300 0.416 0.000 0.968 775 R CA -0.568 55.725 56.100 0.322 0.000 0.867 775 R CB 0.551 30.950 30.300 0.165 0.000 1.124 775 R HN 0.755 nan 8.270 nan 0.000 0.450 776 S N 1.570 117.447 115.700 0.296 0.000 2.442 776 S HA -0.126 4.343 4.470 -0.001 0.000 0.236 776 S C 1.246 176.075 174.600 0.381 0.000 1.007 776 S CA 0.586 58.933 58.200 0.245 0.000 0.965 776 S CB -0.083 63.209 63.200 0.154 0.000 0.773 776 S HN 0.722 nan 8.310 nan 0.000 0.504 777 W N 3.449 124.861 121.300 0.188 0.000 2.378 777 W HA -0.135 4.525 4.660 -0.001 0.000 0.313 777 W C 2.346 178.956 176.519 0.153 0.000 1.197 777 W CA 1.698 59.124 57.345 0.136 0.000 1.304 777 W CB -1.194 28.284 29.460 0.029 0.000 1.148 777 W HN 0.429 nan 8.180 nan 0.000 0.494 778 S N 0.122 116.255 115.700 0.721 0.000 2.419 778 S HA -0.236 4.234 4.470 -0.001 0.000 0.233 778 S C 1.662 176.456 174.600 0.323 0.000 1.016 778 S CA 0.887 59.390 58.200 0.505 0.000 0.974 778 S CB -1.533 61.867 63.200 0.334 0.000 0.786 778 S HN 0.097 nan 8.310 nan 0.000 0.492 779 F N 3.852 123.926 119.950 0.206 0.000 2.729 779 F HA 0.133 4.660 4.527 -0.001 0.000 0.299 779 F C 0.976 176.845 175.800 0.114 0.000 1.292 779 F CA -0.490 57.607 58.000 0.162 0.000 1.450 779 F CB -1.105 38.025 39.000 0.217 0.000 1.109 779 F HN 0.101 nan 8.300 nan 0.000 0.561 780 V N -1.265 118.765 119.914 0.194 0.000 2.872 780 V HA -0.120 3.999 4.120 -0.001 0.000 0.302 780 V C 1.485 177.625 176.094 0.076 0.000 1.166 780 V CA -0.376 61.975 62.300 0.085 0.000 1.298 780 V CB 0.598 32.437 31.823 0.028 0.000 0.894 780 V HN 0.513 nan 8.190 nan 0.000 0.509 781 E N 1.601 121.836 120.200 0.058 0.000 4.586 781 E HA -0.286 4.063 4.350 -0.001 0.000 0.271 781 E C 1.517 178.173 176.600 0.094 0.000 0.767 781 E CA 2.332 58.765 56.400 0.054 0.000 1.491 781 E CB -0.840 28.878 29.700 0.030 0.000 1.758 781 E HN 0.975 nan 8.360 nan 0.000 0.398 782 R N -0.153 120.435 120.500 0.146 0.000 2.072 782 R HA 0.036 4.376 4.340 -0.001 0.000 0.221 782 R C -1.431 175.058 176.300 0.315 0.000 1.166 782 R CA 0.987 57.225 56.100 0.230 0.000 0.917 782 R CB -1.258 29.203 30.300 0.267 0.000 0.815 782 R HN 0.124 nan 8.270 nan 0.000 0.444 783 P HA -0.035 nan 4.420 nan 0.000 0.258 783 P C -0.020 177.369 177.300 0.149 0.000 1.187 783 P CA 1.240 64.512 63.100 0.288 0.000 0.767 783 P CB 0.571 32.374 31.700 0.171 0.000 0.770 784 G N 2.883 111.752 108.800 0.115 0.000 3.847 784 G HA2 0.044 4.004 3.960 -0.001 0.000 0.189 784 G HA3 0.044 4.004 3.960 -0.001 0.000 0.189 784 G C 0.203 175.140 174.900 0.063 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 2.323 125.192 122.820 0.082 0.000 2.515 785 A HA 0.447 4.766 4.320 -0.001 0.000 0.276 785 A C 1.811 179.427 177.584 0.054 0.000 1.104 785 A CA 0.888 52.965 52.037 0.066 0.000 0.822 785 A CB -0.786 18.260 19.000 0.077 0.000 1.016 785 A HN 1.307 nan 8.150 nan 0.000 0.530 786 L N 0.415 121.663 121.223 0.042 0.000 4.436 786 L HA -0.284 4.055 4.340 -0.001 0.000 0.436 786 L C 1.408 178.303 176.870 0.041 0.000 1.128 786 L CA 1.274 56.137 54.840 0.038 0.000 0.973 786 L CB -1.804 40.276 42.059 0.034 0.000 1.899 786 L HN 0.773 nan 8.230 nan 0.000 1.002 787 L N -1.334 119.913 121.223 0.041 0.000 2.349 787 L HA 0.122 4.462 4.340 -0.001 0.000 0.200 787 L C 2.397 179.291 176.870 0.039 0.000 1.064 787 L CA 1.013 55.869 54.840 0.027 0.000 0.821 787 L CB -0.184 41.876 42.059 0.003 0.000 1.027 787 L HN 0.077 nan 8.230 nan 0.000 0.476 788 M N -0.057 119.562 119.600 0.033 0.000 2.089 788 M HA -0.259 4.221 4.480 -0.001 0.000 0.257 788 M C 2.202 178.538 176.300 0.059 0.000 1.071 788 M CA 1.810 57.131 55.300 0.035 0.000 1.096 788 M CB -0.813 31.797 32.600 0.018 0.000 1.330 788 M HN 0.258 nan 8.290 nan 0.000 0.403 789 I N 0.136 120.738 120.570 0.053 0.000 2.151 789 I HA -0.219 3.950 4.170 -0.001 0.000 0.243 789 I C 2.253 178.419 176.117 0.081 0.000 1.080 789 I CA 1.688 63.021 61.300 0.055 0.000 1.339 789 I CB -2.023 36.004 38.000 0.045 0.000 1.039 789 I HN 0.200 nan 8.210 nan 0.000 0.409 790 A N -1.537 121.353 122.820 0.116 0.000 2.327 790 A HA 0.139 4.458 4.320 -0.001 0.000 0.228 790 A C 0.809 178.609 177.584 0.360 0.000 1.275 790 A CA 0.100 52.242 52.037 0.175 0.000 0.875 790 A CB -0.712 18.386 19.000 0.164 0.000 0.925 790 A HN 0.305 nan 8.150 nan 0.000 0.493 791 F N -0.795 119.165 119.950 0.016 0.000 2.605 791 F HA 0.367 4.893 4.527 -0.001 0.000 0.391 791 F C 0.153 175.974 175.800 0.034 0.000 1.429 791 F CA -0.344 57.674 58.000 0.029 0.000 1.138 791 F CB 1.211 40.222 39.000 0.018 0.000 1.198 791 F HN 0.059 nan 8.300 nan 0.000 0.516 792 L N 0.791 122.052 121.223 0.063 0.000 3.447 792 L HA 0.241 4.580 4.340 -0.001 0.000 0.353 792 L C -0.036 176.854 176.870 0.033 0.000 1.338 792 L CA 0.437 55.302 54.840 0.041 0.000 0.899 792 L CB 0.659 42.736 42.059 0.029 0.000 1.332 792 L HN 0.099 nan 8.230 nan 0.000 0.608 793 I N -0.475 120.089 120.570 -0.009 0.000 4.317 793 I HA 0.240 4.409 4.170 -0.001 0.000 0.289 793 I C 1.913 177.979 176.117 -0.086 0.000 1.164 793 I CA 0.815 62.105 61.300 -0.016 0.000 1.312 793 I CB -0.041 37.963 38.000 0.006 0.000 1.569 793 I HN 0.072 nan 8.210 nan 0.000 0.450 794 A N 0.215 122.905 122.820 -0.216 0.000 2.346 794 A HA 0.143 4.463 4.320 -0.001 0.000 0.242 794 A C 1.478 178.850 177.584 -0.353 0.000 1.323 794 A CA 0.657 52.472 52.037 -0.371 0.000 0.940 794 A CB -0.350 18.207 19.000 -0.737 0.000 0.943 794 A HN 0.364 nan 8.150 nan 0.000 0.501 795 Q N -1.474 118.243 119.800 -0.138 0.000 2.171 795 Q HA 0.338 4.678 4.340 -0.001 0.000 0.250 795 Q C 1.376 177.422 176.000 0.077 0.000 0.791 795 Q CA 0.160 55.987 55.803 0.040 0.000 0.950 795 Q CB 0.146 29.002 28.738 0.196 0.000 1.151 795 Q HN 0.483 nan 8.270 nan 0.000 0.480 796 L N -0.061 121.177 121.223 0.026 0.000 2.046 796 L HA 0.078 4.418 4.340 -0.001 0.000 0.203 796 L C 2.016 178.835 176.870 -0.084 0.000 1.111 796 L CA 1.127 55.968 54.840 0.002 0.000 0.769 796 L CB -0.782 41.301 42.059 0.040 0.000 0.914 796 L HN 0.301 nan 8.230 nan 0.000 0.448 797 I N 0.465 120.992 120.570 -0.071 0.000 2.290 797 I HA -0.322 3.847 4.170 -0.001 0.000 0.253 797 I C 1.923 177.981 176.117 -0.099 0.000 1.112 797 I CA 1.445 62.695 61.300 -0.083 0.000 1.377 797 I CB 0.055 38.016 38.000 -0.065 0.000 1.060 797 I HN 0.301 nan 8.210 nan 0.000 0.428 798 A N -1.352 121.394 122.820 -0.123 0.000 2.327 798 A HA 0.105 4.424 4.320 -0.001 0.000 0.228 798 A C 1.522 178.992 177.584 -0.191 0.000 1.275 798 A CA 0.894 52.853 52.037 -0.129 0.000 0.875 798 A CB -0.325 18.595 19.000 -0.133 0.000 0.925 798 A HN 0.456 nan 8.150 nan 0.000 0.493 799 T N -1.455 112.948 114.554 -0.252 0.000 3.168 799 T HA 0.116 4.465 4.350 -0.001 0.000 0.261 799 T C 1.375 175.861 174.700 -0.357 0.000 0.931 799 T CA 0.004 61.857 62.100 -0.411 0.000 0.949 799 T CB -0.236 68.200 68.868 -0.721 0.000 1.229 799 T HN 0.219 nan 8.240 nan 0.000 0.504 800 L N 1.133 122.205 121.223 -0.253 0.000 2.349 800 L HA 0.120 4.460 4.340 -0.001 0.000 0.220 800 L C 1.947 178.813 176.870 -0.005 0.000 1.130 800 L CA 1.261 56.036 54.840 -0.108 0.000 0.791 800 L CB -0.210 41.806 42.059 -0.071 0.000 0.918 800 L HN 0.297 nan 8.230 nan 0.000 0.444 801 I N -1.567 118.964 120.570 -0.064 0.000 3.616 801 I HA 0.065 4.234 4.170 -0.001 0.000 0.296 801 I C 2.174 178.281 176.117 -0.016 0.000 1.226 801 I CA 0.360 61.656 61.300 -0.007 0.000 1.394 801 I CB 0.223 38.242 38.000 0.031 0.000 1.171 801 I HN 0.059 nan 8.210 nan 0.000 0.442 802 A N 0.740 123.500 122.820 -0.101 0.000 2.258 802 A HA 0.367 4.686 4.320 -0.001 0.000 0.206 802 A C 0.527 178.041 177.584 -0.117 0.000 1.222 802 A CA 1.006 52.967 52.037 -0.126 0.000 0.822 802 A CB -0.866 18.005 19.000 -0.216 0.000 0.804 802 A HN 0.383 nan 8.150 nan 0.000 0.483 803 V N -7.485 112.390 119.914 -0.065 0.000 3.322 803 V HA 0.217 4.337 4.120 -0.001 0.000 0.289 803 V C 0.689 176.856 176.094 0.122 0.000 1.908 803 V CA -0.256 62.048 62.300 0.005 0.000 0.962 803 V CB -0.417 31.384 31.823 -0.037 0.000 1.131 803 V HN 1.240 nan 8.190 nan 0.000 0.480 804 Y N -0.790 119.519 120.300 0.015 0.000 4.461 804 Y HA -0.221 4.328 4.550 -0.001 0.000 0.293 804 Y C 0.118 176.055 175.900 0.062 0.000 0.974 804 Y CA 3.043 61.196 58.100 0.089 0.000 2.253 804 Y CB -1.186 37.384 38.460 0.183 0.000 1.259 804 Y HN 2.701 nan 8.280 nan 0.000 0.513 805 A N -0.035 122.769 122.820 -0.027 0.000 2.467 805 A HA 0.702 5.021 4.320 -0.001 0.000 0.301 805 A C -1.403 176.186 177.584 0.009 0.000 1.126 805 A CA -0.451 51.522 52.037 -0.107 0.000 0.632 805 A CB 0.673 19.617 19.000 -0.093 0.000 1.331 805 A HN 0.903 nan 8.150 nan 0.000 0.482 806 N N -0.925 117.789 118.700 0.024 0.000 5.121 806 N HA 0.047 4.787 4.740 -0.001 0.000 0.158 806 N C -0.516 175.075 175.510 0.134 0.000 1.033 806 N CA -0.172 52.943 53.050 0.107 0.000 1.122 806 N CB 0.144 38.678 38.487 0.078 0.000 1.541 806 N HN 1.060 nan 8.380 nan 0.000 0.993 807 W N 1.242 122.448 121.300 -0.158 0.000 2.996 807 W HA 0.332 4.992 4.660 -0.001 0.000 0.270 807 W C 0.312 176.416 176.519 -0.692 0.000 1.280 807 W CA 0.199 57.357 57.345 -0.312 0.000 1.549 807 W CB -0.772 28.592 29.460 -0.160 0.000 1.079 807 W HN 0.558 nan 8.180 nan 0.000 0.629 808 E N 0.754 120.658 120.200 -0.493 0.000 2.266 808 E HA 0.265 4.615 4.350 -0.001 0.000 0.277 808 E C -0.170 176.073 176.600 -0.594 0.000 1.018 808 E CA -0.538 55.386 56.400 -0.794 0.000 0.840 808 E CB 0.609 29.856 29.700 -0.755 0.000 1.082 808 E HN -0.049 nan 8.360 nan 0.000 0.395 809 F N 2.415 122.286 119.950 -0.131 0.000 2.765 809 F HA 0.300 4.827 4.527 -0.001 0.000 0.302 809 F C 1.558 177.326 175.800 -0.052 0.000 1.111 809 F CA 0.306 58.269 58.000 -0.063 0.000 1.359 809 F CB 0.067 39.032 39.000 -0.059 0.000 1.097 809 F HN 0.515 nan 8.300 nan 0.000 0.577 810 A N 0.986 123.815 122.820 0.015 0.000 2.412 810 A HA 0.361 4.681 4.320 -0.001 0.000 0.253 810 A C 0.707 178.325 177.584 0.057 0.000 1.334 810 A CA 0.097 52.152 52.037 0.030 0.000 0.929 810 A CB -0.908 18.100 19.000 0.013 0.000 0.983 810 A HN 0.447 nan 8.150 nan 0.000 0.508 811 K N -1.876 118.554 120.400 0.050 0.000 3.238 811 K HA 0.588 4.908 4.320 -0.001 0.000 0.324 811 K C -1.494 175.143 176.600 0.063 0.000 1.064 811 K CA -0.802 55.531 56.287 0.076 0.000 0.782 811 K CB 0.424 32.984 32.500 0.100 0.000 1.465 811 K HN 0.178 nan 8.250 nan 0.000 0.412 812 I N 1.171 121.785 120.570 0.074 0.000 2.175 812 I HA 0.000 4.169 4.170 -0.001 0.000 0.206 812 I C -0.567 175.593 176.117 0.071 0.000 1.381 812 I CA -0.561 60.782 61.300 0.073 0.000 1.412 812 I CB 0.884 38.942 38.000 0.096 0.000 1.853 812 I HN 0.759 nan 8.210 nan 0.000 0.368 813 R N 2.245 122.785 120.500 0.066 0.000 3.026 813 R HA 0.463 4.802 4.340 -0.001 0.000 0.284 813 R C 0.222 176.565 176.300 0.070 0.000 1.013 813 R CA 1.266 57.400 56.100 0.056 0.000 1.188 813 R CB 0.357 30.679 30.300 0.036 0.000 1.151 813 R HN 0.585 nan 8.270 nan 0.000 0.514 814 G N 0.310 109.161 108.800 0.085 0.000 2.753 814 G HA2 0.558 4.517 3.960 -0.001 0.000 0.297 814 G HA3 0.558 4.517 3.960 -0.001 0.000 0.297 814 G C -1.387 173.642 174.900 0.215 0.000 1.430 814 G CA -0.355 44.829 45.100 0.140 0.000 1.040 814 G HN 0.580 nan 8.290 nan 0.000 0.530 815 I N -0.276 120.424 120.570 0.217 0.000 6.333 815 I HA -0.142 4.027 4.170 -0.001 0.000 0.126 815 I C 0.994 177.246 176.117 0.225 0.000 1.824 815 I CA 0.352 61.804 61.300 0.253 0.000 2.037 815 I CB -1.642 36.572 38.000 0.356 0.000 3.472 815 I HN 0.971 nan 8.210 nan 0.000 0.169 816 G N 2.335 111.265 108.800 0.217 0.000 2.298 816 G HA2 0.212 4.171 3.960 -0.001 0.000 0.263 816 G HA3 0.212 4.171 3.960 -0.001 0.000 0.263 816 G C 0.679 175.767 174.900 0.314 0.000 1.229 816 G CA 0.676 45.867 45.100 0.151 0.000 0.976 816 G HN 0.773 nan 8.290 nan 0.000 0.459 817 W N -0.071 121.261 121.300 0.054 0.000 1.131 817 W HA -0.268 4.391 4.660 -0.001 0.000 0.231 817 W C 1.757 178.343 176.519 0.112 0.000 0.958 817 W CA 0.985 58.362 57.345 0.053 0.000 0.376 817 W CB -1.512 27.986 29.460 0.064 0.000 1.959 817 W HN 0.799 nan 8.180 nan 0.000 1.226 818 G N -1.851 107.136 108.800 0.312 0.000 2.556 818 G HA2 -0.012 3.948 3.960 -0.001 0.000 0.209 818 G HA3 -0.012 3.948 3.960 -0.001 0.000 0.209 818 G C 1.126 176.129 174.900 0.171 0.000 1.159 818 G CA 0.812 46.081 45.100 0.281 0.000 0.828 818 G HN 0.341 nan 8.290 nan 0.000 0.553 819 W N 0.863 122.212 121.300 0.082 0.000 2.501 819 W HA 0.228 4.887 4.660 -0.001 0.000 0.309 819 W C 2.977 179.453 176.519 -0.072 0.000 1.165 819 W CA 0.789 58.157 57.345 0.037 0.000 1.381 819 W CB 0.306 29.803 29.460 0.061 0.000 1.142 819 W HN 0.237 nan 8.180 nan 0.000 0.509 820 A N 0.618 123.537 122.820 0.164 0.000 1.948 820 A HA -0.189 4.131 4.320 -0.001 0.000 0.220 820 A C 2.034 179.556 177.584 -0.103 0.000 1.177 820 A CA 2.048 54.009 52.037 -0.127 0.000 0.636 820 A CB -1.703 17.048 19.000 -0.415 0.000 0.815 820 A HN 0.416 nan 8.150 nan 0.000 0.449 821 G N -0.737 108.040 108.800 -0.037 0.000 2.545 821 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.222 821 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.222 821 G C 1.423 176.190 174.900 -0.222 0.000 1.126 821 G CA 1.482 46.533 45.100 -0.082 0.000 0.754 821 G HN 0.421 nan 8.290 nan 0.000 0.583 822 V N 0.096 119.900 119.914 -0.184 0.000 2.878 822 V HA 0.060 4.180 4.120 -0.001 0.000 0.250 822 V C 2.495 178.630 176.094 0.068 0.000 1.075 822 V CA 0.527 62.766 62.300 -0.103 0.000 1.096 822 V CB 0.089 31.935 31.823 0.038 0.000 0.724 822 V HN 0.273 nan 8.190 nan 0.000 0.467 823 I N -0.545 120.068 120.570 0.071 0.000 2.226 823 I HA -0.158 4.011 4.170 -0.001 0.000 0.245 823 I C 1.719 177.927 176.117 0.152 0.000 1.100 823 I CA 1.301 62.618 61.300 0.028 0.000 1.374 823 I CB -0.454 37.482 38.000 -0.106 0.000 1.057 823 I HN 0.391 nan 8.210 nan 0.000 0.413 824 W N 0.007 121.286 121.300 -0.035 0.000 3.316 824 W HA 0.018 4.677 4.660 -0.001 0.000 0.258 824 W C 1.684 178.185 176.519 -0.029 0.000 1.330 824 W CA 0.301 57.626 57.345 -0.032 0.000 1.595 824 W CB -0.383 29.060 29.460 -0.030 0.000 1.088 824 W HN 0.123 nan 8.180 nan 0.000 0.734 825 L N -2.020 119.313 121.223 0.183 0.000 2.519 825 L HA -0.048 4.291 4.340 -0.001 0.000 0.194 825 L C 1.629 178.571 176.870 0.120 0.000 1.072 825 L CA 0.675 55.579 54.840 0.107 0.000 0.845 825 L CB -1.122 40.987 42.059 0.084 0.000 1.138 825 L HN -0.184 nan 8.230 nan 0.000 0.487 826 Y N 0.471 120.757 120.300 -0.023 0.000 2.680 826 Y HA -0.084 4.466 4.550 -0.001 0.000 0.303 826 Y C 2.608 178.451 175.900 -0.094 0.000 1.166 826 Y CA 0.745 58.785 58.100 -0.100 0.000 1.344 826 Y CB 0.031 38.359 38.460 -0.221 0.000 1.002 826 Y HN 0.076 nan 8.280 nan 0.000 0.537 827 S N -0.347 115.390 115.700 0.061 0.000 2.326 827 S HA -0.099 4.371 4.470 -0.001 0.000 0.211 827 S C 1.868 176.509 174.600 0.068 0.000 1.031 827 S CA 1.412 59.681 58.200 0.114 0.000 0.985 827 S CB -0.256 63.133 63.200 0.313 0.000 0.961 827 S HN 0.348 nan 8.310 nan 0.000 0.436 828 I N 2.754 123.339 120.570 0.025 0.000 2.394 828 I HA -0.071 4.098 4.170 -0.001 0.000 0.251 828 I C 2.544 178.654 176.117 -0.011 0.000 1.136 828 I CA 0.997 62.289 61.300 -0.014 0.000 1.425 828 I CB -1.879 36.038 38.000 -0.138 0.000 1.079 828 I HN 0.330 nan 8.210 nan 0.000 0.425 829 V N -0.132 119.753 119.914 -0.049 0.000 2.720 829 V HA -0.180 3.939 4.120 -0.001 0.000 0.256 829 V C 2.252 178.365 176.094 0.031 0.000 1.082 829 V CA 2.156 64.424 62.300 -0.053 0.000 1.101 829 V CB -1.850 29.976 31.823 0.006 0.000 0.693 829 V HN 0.550 nan 8.190 nan 0.000 0.479 830 T N -3.618 110.954 114.554 0.030 0.000 3.065 830 T HA 0.017 4.366 4.350 -0.001 0.000 0.252 830 T C 1.661 176.546 174.700 0.308 0.000 1.099 830 T CA 0.897 63.131 62.100 0.222 0.000 1.063 830 T CB -0.626 68.277 68.868 0.057 0.000 0.948 830 T HN 0.676 nan 8.240 nan 0.000 0.506 831 Y N 0.571 120.981 120.300 0.183 0.000 2.395 831 Y HA 0.174 4.723 4.550 -0.001 0.000 0.293 831 Y C 1.306 177.443 175.900 0.395 0.000 1.123 831 Y CA 0.500 58.765 58.100 0.275 0.000 1.227 831 Y CB -0.131 38.502 38.460 0.288 0.000 1.012 831 Y HN 0.150 nan 8.280 nan 0.000 0.552 832 F N 0.703 120.796 119.950 0.238 0.000 2.512 832 F HA 0.183 4.709 4.527 -0.001 0.000 0.296 832 F C -0.995 174.709 175.800 -0.161 0.000 1.110 832 F CA -0.765 57.273 58.000 0.063 0.000 1.446 832 F CB -1.806 37.250 39.000 0.094 0.000 1.092 832 F HN 0.065 nan 8.300 nan 0.000 0.554 833 P HA -0.075 nan 4.420 nan 0.000 0.239 833 P C 1.624 178.720 177.300 -0.339 0.000 1.184 833 P CA 0.874 63.768 63.100 -0.343 0.000 0.760 833 P CB 0.065 31.532 31.700 -0.388 0.000 0.884 834 L N -0.583 120.541 121.223 -0.166 0.000 2.071 834 L HA -0.073 4.266 4.340 -0.001 0.000 0.201 834 L C 1.820 178.620 176.870 -0.118 0.000 1.076 834 L CA 1.868 56.646 54.840 -0.103 0.000 0.755 834 L CB -0.997 40.930 42.059 -0.219 0.000 0.915 834 L HN -0.172 nan 8.230 nan 0.000 0.445 835 D N -1.073 119.162 120.400 -0.275 0.000 2.092 835 D HA -0.220 4.419 4.640 -0.001 0.000 0.193 835 D C 2.230 178.218 176.300 -0.520 0.000 0.994 835 D CA 1.408 55.189 54.000 -0.365 0.000 0.828 835 D CB -0.378 40.115 40.800 -0.512 0.000 0.963 835 D HN 0.062 nan 8.370 nan 0.000 0.450 836 V N -0.268 119.354 119.914 -0.487 0.000 3.026 836 V HA -0.188 3.931 4.120 -0.001 0.000 0.265 836 V C 1.519 177.551 176.094 -0.104 0.000 1.121 836 V CA 1.267 63.311 62.300 -0.426 0.000 1.142 836 V CB -0.406 31.189 31.823 -0.379 0.000 0.730 836 V HN 0.245 nan 8.190 nan 0.000 0.503 837 F N 0.219 120.086 119.950 -0.138 0.000 2.220 837 F HA -0.048 4.478 4.527 -0.001 0.000 0.290 837 F C 2.468 178.281 175.800 0.021 0.000 1.080 837 F CA 0.632 58.596 58.000 -0.060 0.000 1.318 837 F CB -0.085 38.870 39.000 -0.076 0.000 1.063 837 F HN 0.122 nan 8.300 nan 0.000 0.498 838 K N 0.591 121.157 120.400 0.276 0.000 2.034 838 K HA -0.247 4.072 4.320 -0.001 0.000 0.214 838 K C 1.517 178.254 176.600 0.228 0.000 1.051 838 K CA 1.807 58.232 56.287 0.231 0.000 0.931 838 K CB -1.644 31.010 32.500 0.256 0.000 0.715 838 K HN 0.201 nan 8.250 nan 0.000 0.446 839 F N 1.587 121.457 119.950 -0.133 0.000 2.605 839 F HA -0.027 4.499 4.527 -0.001 0.000 0.296 839 F C 2.411 178.063 175.800 -0.246 0.000 1.146 839 F CA 0.370 58.138 58.000 -0.386 0.000 1.478 839 F CB -0.836 37.797 39.000 -0.611 0.000 1.107 839 F HN 0.191 nan 8.300 nan 0.000 0.600 840 A N 0.690 123.591 122.820 0.134 0.000 1.887 840 A HA 0.052 4.371 4.320 -0.001 0.000 0.210 840 A C 2.198 179.816 177.584 0.058 0.000 1.221 840 A CA 0.902 53.004 52.037 0.108 0.000 0.635 840 A CB -0.747 18.348 19.000 0.159 0.000 0.881 840 A HN 0.319 nan 8.150 nan 0.000 0.456 841 I N -2.843 117.739 120.570 0.020 0.000 2.252 841 I HA -0.171 3.999 4.170 -0.001 0.000 0.245 841 I C 2.324 178.450 176.117 0.014 0.000 1.102 841 I CA 1.197 62.492 61.300 -0.008 0.000 1.385 841 I CB -0.610 37.370 38.000 -0.033 0.000 1.064 841 I HN 0.086 nan 8.210 nan 0.000 0.414 842 R N 1.345 121.876 120.500 0.050 0.000 2.075 842 R HA -0.125 4.215 4.340 -0.001 0.000 0.230 842 R C 2.091 178.482 176.300 0.151 0.000 1.140 842 R CA 1.739 57.882 56.100 0.072 0.000 0.928 842 R CB -1.296 29.063 30.300 0.099 0.000 0.834 842 R HN 0.492 nan 8.270 nan 0.000 0.429 843 Y N 0.228 120.496 120.300 -0.053 0.000 2.809 843 Y HA -0.086 4.463 4.550 -0.001 0.000 0.329 843 Y C 0.945 176.826 175.900 -0.032 0.000 1.202 843 Y CA -0.368 57.711 58.100 -0.036 0.000 1.334 843 Y CB 0.066 38.533 38.460 0.011 0.000 1.027 843 Y HN 0.081 nan 8.280 nan 0.000 0.512 844 I N 0.000 120.620 120.570 0.084 0.000 2.984 844 I HA 0.000 4.169 4.170 -0.001 0.000 0.288 844 I CA 0.000 61.310 61.300 0.016 0.000 1.566 844 I CB 0.000 38.016 38.000 0.027 0.000 1.214 844 I HN 0.000 nan 8.210 nan 0.000 0.494