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 2qmr_1_A DATA FIRST_RESID 6 DATA SEQUENCE KPDEQGLQQI LQLLKESQSP DTTIQRTVQQ KLEQLNQYPD FNNYLIFVLT DATA SEQUENCE KLKSEDEPTR SLSGLILKNN VKAHFQNFPN GVTDFIKSEC LNNIGDSSPL DATA SEQUENCE IRATVGILIT TIASKGELQN WPDLLPKLCS LLDSEDYNTC EGAFGALQKI DATA SEQUENCE CEDSAEILDS DVLDRPLNIM IPKFLQFFKH SSPKIRSHAV ACVNQFIISR DATA SEQUENCE TQALMLHIDS FIENLFALAG DEEPEVRKNV CRALVMLLEV RMDRLLPHMH DATA SEQUENCE NIVEYMLQRT QDQDENVALE ACEFWLTLAE QPICKDVLVR HLPKLIPVLV DATA SEQUENCE NGMKYSDIDI ILLKXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXISDWNL RKCSAAALDV LANVYRDELL PHILPLLKEL DATA SEQUENCE LFHHEWVVKE SGILVLGAIA EGCMQGMIPY LPELIPHLIQ CLSDKKALVR DATA SEQUENCE SITCWTLSRY AHWVVSQPPD TYLKPLMTEL LKRILDSNKR VQEAACSAFA DATA SEQUENCE TLEEEACTEL VPYLAYILDT LVFAFSKYQH KNLLILYDAI GTLADSVGHH DATA SEQUENCE LNKPEYIQML MPPLIQKWNM LKDEDKDLFP LLECLSSVAT ALQSGFLPYC DATA SEQUENCE EPVYQRCVNL VQKTLAQAML NNAQPDQYEA PDKDFMIVAL DLLSGLAEGL DATA SEQUENCE GGNIEQLVAR SNILTLMYQC MQDKMPEVRQ SSFALLGDLT KACFQHVKPC DATA SEQUENCE IADFMPILGT NLNPEFISVC NNATWAIGEI SIQMGIEMQP YIPMVLHQLV DATA SEQUENCE EIINRPNTPK TLLENTAITI GRLGYVCPQE VAPMLQQFIR PWCTSLRNIR DATA SEQUENCE DNEEKDSAFR GICTMISVNP SGVIQDFIFF CDAVASWINP KDDLRDMFCK DATA SEQUENCE ILHGFKNQVG DENWRRFSDQ FPLPLKERLA AFYGV 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 6 K HA 0.000 nan 4.320 nan 0.000 0.191 6 K C 0.000 176.640 176.600 0.067 0.000 0.988 6 K CA 0.000 56.296 56.287 0.014 0.000 0.838 6 K CB 0.000 32.513 32.500 0.022 0.000 1.064 7 P HA 0.247 nan 4.420 nan 0.000 0.245 7 P C 1.221 178.604 177.300 0.138 0.000 1.203 7 P CA 2.372 65.577 63.100 0.174 0.000 0.792 7 P CB -0.305 31.560 31.700 0.276 0.000 0.997 8 D N -0.801 119.659 120.400 0.099 0.000 2.178 8 D HA 0.033 4.678 4.640 0.008 0.000 0.202 8 D C 1.964 178.302 176.300 0.064 0.000 0.974 8 D CA 1.908 55.954 54.000 0.078 0.000 0.841 8 D CB -0.597 40.238 40.800 0.059 0.000 0.953 8 D HN 0.541 nan 8.370 nan 0.000 0.478 9 E N -0.874 119.362 120.200 0.060 0.000 2.005 9 E HA 0.047 4.402 4.350 0.008 0.000 0.191 9 E C 2.501 179.132 176.600 0.052 0.000 0.987 9 E CA 1.974 58.403 56.400 0.049 0.000 0.814 9 E CB -1.440 28.285 29.700 0.042 0.000 0.772 9 E HN 0.825 nan 8.360 nan 0.000 0.453 10 Q N 0.372 120.210 119.800 0.063 0.000 2.472 10 Q HA 0.334 4.679 4.340 0.008 0.000 0.208 10 Q C 2.449 178.481 176.000 0.053 0.000 0.958 10 Q CA 1.352 57.186 55.803 0.052 0.000 0.932 10 Q CB -0.694 28.076 28.738 0.054 0.000 1.007 10 Q HN 0.691 nan 8.270 nan 0.000 0.508 11 G N 0.114 108.961 108.800 0.078 0.000 2.394 11 G HA2 0.119 4.084 3.960 0.008 0.000 0.215 11 G HA3 0.119 4.084 3.960 0.008 0.000 0.215 11 G C 1.677 176.614 174.900 0.062 0.000 1.165 11 G CA 1.463 46.615 45.100 0.086 0.000 0.784 11 G HN 1.128 nan 8.290 nan 0.000 0.535 12 L N -0.288 120.966 121.223 0.053 0.000 2.551 12 L HA 0.479 4.824 4.340 0.008 0.000 0.228 12 L C 2.769 179.657 176.870 0.031 0.000 1.153 12 L CA 2.316 57.180 54.840 0.040 0.000 0.851 12 L CB -1.793 40.288 42.059 0.036 0.000 0.959 12 L HN 0.551 nan 8.230 nan 0.000 0.451 13 Q N -1.332 118.486 119.800 0.029 0.000 2.250 13 Q HA 0.065 4.410 4.340 0.008 0.000 0.200 13 Q C 2.180 178.188 176.000 0.014 0.000 0.941 13 Q CA 2.056 57.870 55.803 0.019 0.000 0.872 13 Q CB -0.789 27.958 28.738 0.016 0.000 0.965 13 Q HN 0.986 nan 8.270 nan 0.000 0.480 14 Q N -0.176 119.634 119.800 0.017 0.000 2.083 14 Q HA 0.190 4.535 4.340 0.008 0.000 0.198 14 Q C 2.478 178.489 176.000 0.018 0.000 0.969 14 Q CA 2.450 58.261 55.803 0.013 0.000 0.838 14 Q CB -1.364 27.384 28.738 0.018 0.000 0.900 14 Q HN 1.364 nan 8.270 nan 0.000 0.436 15 I N 0.279 120.866 120.570 0.027 0.000 2.454 15 I HA 0.242 4.417 4.170 0.008 0.000 0.254 15 I C 2.915 179.043 176.117 0.019 0.000 1.156 15 I CA 2.182 63.498 61.300 0.027 0.000 1.433 15 I CB -1.721 36.300 38.000 0.035 0.000 1.082 15 I HN 0.765 nan 8.210 nan 0.000 0.432 16 L N -0.572 120.661 121.223 0.017 0.000 2.131 16 L HA 0.127 4.472 4.340 0.008 0.000 0.206 16 L C 2.650 179.526 176.870 0.009 0.000 1.087 16 L CA 2.462 57.310 54.840 0.013 0.000 0.767 16 L CB -2.052 40.015 42.059 0.013 0.000 0.917 16 L HN 0.807 nan 8.230 nan 0.000 0.441 17 Q N -0.499 119.305 119.800 0.007 0.000 2.224 17 Q HA 0.180 4.526 4.340 0.008 0.000 0.203 17 Q C 2.385 178.385 176.000 0.001 0.000 0.970 17 Q CA 2.787 58.592 55.803 0.002 0.000 0.865 17 Q CB -1.392 27.346 28.738 -0.001 0.000 0.922 17 Q HN 1.410 nan 8.270 nan 0.000 0.445 18 L N -0.432 120.793 121.223 0.003 0.000 2.095 18 L HA 0.421 4.766 4.340 0.008 0.000 0.204 18 L C 3.154 180.025 176.870 0.001 0.000 1.080 18 L CA 2.082 56.922 54.840 -0.000 0.000 0.759 18 L CB -1.823 40.237 42.059 0.003 0.000 0.914 18 L HN 0.892 nan 8.230 nan 0.000 0.439 19 L N -0.225 121.002 121.223 0.006 0.000 2.131 19 L HA 0.051 4.396 4.340 0.008 0.000 0.210 19 L C 3.039 179.911 176.870 0.004 0.000 1.092 19 L CA 3.157 58.001 54.840 0.006 0.000 0.759 19 L CB -2.205 39.860 42.059 0.010 0.000 0.903 19 L HN 0.764 nan 8.230 nan 0.000 0.435 20 K N 0.123 120.525 120.400 0.003 0.000 2.217 20 K HA 0.091 4.416 4.320 0.008 0.000 0.202 20 K C 2.239 178.838 176.600 -0.000 0.000 1.051 20 K CA 1.862 58.150 56.287 0.002 0.000 0.952 20 K CB -1.401 31.100 32.500 0.002 0.000 0.736 20 K HN 0.949 nan 8.250 nan 0.000 0.453 21 E N 0.197 120.396 120.200 -0.002 0.000 2.268 21 E HA 0.112 4.467 4.350 0.008 0.000 0.195 21 E C 1.965 178.561 176.600 -0.006 0.000 0.995 21 E CA 1.377 57.774 56.400 -0.005 0.000 0.836 21 E CB -0.802 28.893 29.700 -0.009 0.000 0.763 21 E HN 0.850 nan 8.360 nan 0.000 0.491 22 S N -0.613 115.085 115.700 -0.004 0.000 2.573 22 S HA 0.500 4.975 4.470 0.008 0.000 0.244 22 S C 1.551 176.150 174.600 -0.002 0.000 0.984 22 S CA 0.770 58.968 58.200 -0.004 0.000 1.001 22 S CB -0.597 62.602 63.200 -0.003 0.000 0.788 22 S HN 0.755 nan 8.310 nan 0.000 0.456 23 Q N 0.447 120.246 119.800 -0.001 0.000 1.316 23 Q HA 0.636 4.981 4.340 0.008 0.000 0.853 23 Q C 1.386 177.386 176.000 -0.001 0.000 0.899 23 Q CA 1.508 57.311 55.803 -0.000 0.000 0.827 23 Q CB -1.042 27.696 28.738 -0.000 0.000 2.278 23 Q HN 1.528 nan 8.270 nan 0.000 0.179 24 S N -2.884 112.815 115.700 -0.001 0.000 2.436 24 S HA 0.486 4.961 4.470 0.008 0.000 0.207 24 S C 0.217 174.816 174.600 -0.001 0.000 0.847 24 S CA 1.464 59.664 58.200 -0.001 0.000 1.623 24 S CB -1.180 62.020 63.200 -0.000 0.000 1.267 24 S HN 0.919 nan 8.310 nan 0.000 0.591 25 P HA 0.358 nan 4.420 nan 0.000 0.217 25 P C 1.036 178.336 177.300 -0.001 0.000 1.154 25 P CA 2.734 65.834 63.100 -0.000 0.000 0.841 25 P CB -0.669 31.031 31.700 0.000 0.000 0.788 26 D N -4.970 115.430 120.400 -0.001 0.000 2.653 26 D HA -0.195 4.450 4.640 0.008 0.000 0.184 26 D C 1.440 177.739 176.300 -0.001 0.000 0.993 26 D CA 2.799 56.798 54.000 -0.001 0.000 1.027 26 D CB -2.303 38.496 40.800 -0.002 0.000 1.089 26 D HN 0.842 nan 8.370 nan 0.000 0.447 27 T N -3.159 111.395 114.554 -0.000 0.000 3.004 27 T HA 0.537 4.892 4.350 0.008 0.000 0.243 27 T C 2.584 177.284 174.700 -0.000 0.000 1.020 27 T CA 2.749 64.849 62.100 -0.000 0.000 1.145 27 T CB -0.650 68.218 68.868 0.000 0.000 0.876 27 T HN 1.523 nan 8.240 nan 0.000 0.449 28 T N 0.520 115.074 114.554 -0.000 0.000 3.163 28 T HA 0.473 4.828 4.350 0.008 0.000 0.260 28 T C 2.071 176.771 174.700 -0.001 0.000 1.156 28 T CA 1.622 63.722 62.100 0.000 0.000 1.072 28 T CB -0.995 67.873 68.868 0.000 0.000 0.937 28 T HN 0.552 nan 8.240 nan 0.000 0.528 29 I N 0.072 120.641 120.570 -0.001 0.000 2.429 29 I HA 0.384 4.559 4.170 0.008 0.000 0.247 29 I C 2.812 178.928 176.117 -0.001 0.000 1.099 29 I CA 1.667 62.966 61.300 -0.002 0.000 1.422 29 I CB -1.586 36.412 38.000 -0.003 0.000 1.112 29 I HN 0.557 nan 8.210 nan 0.000 0.430 30 Q N 0.615 120.415 119.800 -0.000 0.000 2.224 30 Q HA -0.135 4.210 4.340 0.008 0.000 0.203 30 Q C 2.497 178.497 176.000 0.001 0.000 0.970 30 Q CA 2.786 58.590 55.803 0.001 0.000 0.865 30 Q CB -1.341 27.397 28.738 0.001 0.000 0.922 30 Q HN 0.966 nan 8.270 nan 0.000 0.445 31 R N -0.010 120.491 120.500 0.001 0.000 2.062 31 R HA 0.083 4.428 4.340 0.008 0.000 0.229 31 R C 2.700 179.000 176.300 0.000 0.000 1.128 31 R CA 2.474 58.574 56.100 0.000 0.000 0.960 31 R CB -1.871 28.429 30.300 0.000 0.000 0.855 31 R HN 0.820 nan 8.270 nan 0.000 0.432 32 T N -0.001 114.553 114.554 -0.000 0.000 2.951 32 T HA 0.362 4.717 4.350 0.008 0.000 0.268 32 T C 2.371 177.071 174.700 -0.001 0.000 1.073 32 T CA 2.003 64.102 62.100 -0.001 0.000 1.134 32 T CB -0.496 68.371 68.868 -0.002 0.000 0.884 32 T HN 0.608 nan 8.240 nan 0.000 0.479 33 V N 0.728 120.642 119.914 0.000 0.000 2.379 33 V HA 0.157 4.282 4.120 0.008 0.000 0.245 33 V C 2.769 178.867 176.094 0.007 0.000 1.044 33 V CA 2.674 64.976 62.300 0.003 0.000 1.036 33 V CB -1.553 30.272 31.823 0.002 0.000 0.664 33 V HN 0.634 nan 8.190 nan 0.000 0.453 34 Q N -0.676 119.127 119.800 0.005 0.000 2.079 34 Q HA -0.175 4.170 4.340 0.008 0.000 0.200 34 Q C 2.196 178.198 176.000 0.003 0.000 0.974 34 Q CA 3.155 58.962 55.803 0.006 0.000 0.840 34 Q CB -1.250 27.490 28.738 0.004 0.000 0.898 34 Q HN 1.118 nan 8.270 nan 0.000 0.430 35 Q N -0.170 119.630 119.800 0.000 0.000 2.167 35 Q HA -0.006 4.339 4.340 0.008 0.000 0.202 35 Q C 2.399 178.395 176.000 -0.006 0.000 0.970 35 Q CA 2.873 58.674 55.803 -0.004 0.000 0.855 35 Q CB -1.046 27.690 28.738 -0.004 0.000 0.911 35 Q HN 0.946 nan 8.270 nan 0.000 0.438 36 K N -0.368 120.031 120.400 -0.001 0.000 2.128 36 K HA 0.490 4.815 4.320 0.008 0.000 0.202 36 K C 2.545 179.151 176.600 0.010 0.000 1.050 36 K CA 1.472 57.758 56.287 -0.001 0.000 0.966 36 K CB -1.425 31.075 32.500 0.000 0.000 0.759 36 K HN 1.091 nan 8.250 nan 0.000 0.454 37 L N 0.965 122.201 121.223 0.022 0.000 2.191 37 L HA 0.162 4.508 4.340 0.008 0.000 0.212 37 L C 2.575 179.464 176.870 0.030 0.000 1.103 37 L CA 2.899 57.769 54.840 0.049 0.000 0.769 37 L CB -1.874 40.219 42.059 0.057 0.000 0.908 37 L HN 0.732 nan 8.230 nan 0.000 0.438 38 E N -0.831 119.370 120.200 0.002 0.000 2.400 38 E HA 0.180 4.535 4.350 0.008 0.000 0.195 38 E C 2.020 178.599 176.600 -0.035 0.000 1.012 38 E CA 0.975 57.362 56.400 -0.022 0.000 0.875 38 E CB -0.789 28.900 29.700 -0.018 0.000 0.859 38 E HN 1.092 nan 8.360 nan 0.000 0.498 39 Q N -0.217 119.565 119.800 -0.030 0.000 2.518 39 Q HA 0.429 4.774 4.340 0.008 0.000 0.217 39 Q C 1.364 177.323 176.000 -0.069 0.000 0.974 39 Q CA 0.532 56.306 55.803 -0.049 0.000 0.971 39 Q CB -1.142 27.569 28.738 -0.046 0.000 0.988 39 Q HN 0.570 nan 8.270 nan 0.000 0.536 40 L N 1.777 122.963 121.223 -0.061 0.000 2.416 40 L HA 0.070 4.415 4.340 0.008 0.000 0.243 40 L C 0.833 177.646 176.870 -0.095 0.000 1.373 40 L CA -0.405 54.387 54.840 -0.081 0.000 1.227 40 L CB -0.142 41.868 42.059 -0.081 0.000 1.428 40 L HN 0.355 nan 8.230 nan 0.000 0.425 41 N N 0.285 118.928 118.700 -0.095 0.000 2.073 41 N HA -0.087 4.658 4.740 0.008 0.000 0.190 41 N C 1.312 176.801 175.510 -0.035 0.000 1.075 41 N CA 1.179 54.196 53.050 -0.056 0.000 0.866 41 N CB 0.127 38.590 38.487 -0.040 0.000 1.051 41 N HN 0.417 nan 8.380 nan 0.000 0.437 42 Q N -1.967 117.845 119.800 0.021 0.000 2.398 42 Q HA 0.100 4.445 4.340 0.008 0.000 0.238 42 Q C -0.051 176.016 176.000 0.112 0.000 0.761 42 Q CA 0.245 56.088 55.803 0.067 0.000 0.960 42 Q CB 0.971 29.791 28.738 0.137 0.000 1.288 42 Q HN 0.586 nan 8.270 nan 0.000 0.503 43 Y N -1.183 119.084 120.300 -0.055 0.000 2.715 43 Y HA 0.496 5.052 4.550 0.008 0.000 0.255 43 Y C -1.985 173.979 175.900 0.107 0.000 1.139 43 Y CA -1.707 56.393 58.100 0.001 0.000 1.151 43 Y CB -0.222 38.171 38.460 -0.112 0.000 1.201 43 Y HN -0.054 nan 8.280 nan 0.000 0.556 44 P HA -0.017 nan 4.420 nan 0.000 0.225 44 P C 0.266 177.631 177.300 0.110 0.000 1.156 44 P CA 1.228 64.260 63.100 -0.112 0.000 0.787 44 P CB 0.566 32.193 31.700 -0.122 0.000 0.802 45 D N -0.751 119.763 120.400 0.190 0.000 2.249 45 D HA -0.065 4.580 4.640 0.008 0.000 0.205 45 D C 1.691 178.312 176.300 0.534 0.000 0.962 45 D CA 0.414 54.625 54.000 0.352 0.000 0.860 45 D CB -1.003 40.031 40.800 0.389 0.000 0.955 45 D HN 0.149 nan 8.370 nan 0.000 0.505 46 F N 2.154 122.317 119.950 0.354 0.000 2.120 46 F HA -0.241 4.291 4.527 0.008 0.000 0.300 46 F C 1.789 177.855 175.800 0.442 0.000 1.095 46 F CA 1.395 59.656 58.000 0.435 0.000 1.249 46 F CB -0.006 39.144 39.000 0.251 0.000 0.995 46 F HN -0.125 nan 8.300 nan 0.000 0.480 47 N N 0.477 119.468 118.700 0.485 0.000 2.171 47 N HA -0.167 4.578 4.740 0.008 0.000 0.184 47 N C 1.287 176.926 175.510 0.216 0.000 1.021 47 N CA 1.058 54.288 53.050 0.300 0.000 0.854 47 N CB -0.735 37.892 38.487 0.233 0.000 0.994 47 N HN 0.299 nan 8.380 nan 0.000 0.426 48 N N 0.367 119.195 118.700 0.214 0.000 2.586 48 N HA -0.126 4.620 4.740 0.008 0.000 0.191 48 N C 0.734 176.232 175.510 -0.020 0.000 1.085 48 N CA 0.732 53.834 53.050 0.086 0.000 0.921 48 N CB -0.084 38.430 38.487 0.045 0.000 0.954 48 N HN 0.428 nan 8.380 nan 0.000 0.448 49 Y N -1.133 119.248 120.300 0.135 0.000 2.559 49 Y HA 0.201 4.756 4.550 0.008 0.000 0.279 49 Y C 1.804 177.743 175.900 0.065 0.000 1.117 49 Y CA -0.345 57.823 58.100 0.114 0.000 1.263 49 Y CB -0.225 38.180 38.460 -0.091 0.000 1.230 49 Y HN -0.107 nan 8.280 nan 0.000 0.528 50 L N 0.504 121.851 121.223 0.208 0.000 1.990 50 L HA -0.258 4.087 4.340 0.008 0.000 0.213 50 L C 1.986 178.914 176.870 0.096 0.000 1.072 50 L CA 1.907 56.818 54.840 0.118 0.000 0.755 50 L CB -0.643 41.459 42.059 0.072 0.000 0.889 50 L HN 0.190 nan 8.230 nan 0.000 0.432 51 I N -1.608 119.027 120.570 0.109 0.000 2.118 51 I HA -0.364 3.811 4.170 0.008 0.000 0.241 51 I C 2.299 178.488 176.117 0.120 0.000 1.070 51 I CA 1.940 63.299 61.300 0.097 0.000 1.327 51 I CB -0.592 37.462 38.000 0.089 0.000 1.034 51 I HN 0.290 nan 8.210 nan 0.000 0.405 52 F N 0.935 120.857 119.950 -0.047 0.000 2.219 52 F HA -0.028 4.505 4.527 0.009 0.000 0.294 52 F C 2.044 177.825 175.800 -0.032 0.000 1.086 52 F CA 1.280 59.234 58.000 -0.076 0.000 1.330 52 F CB -0.177 38.706 39.000 -0.195 0.000 1.047 52 F HN -0.183 nan 8.300 nan 0.000 0.495 53 V N -0.693 119.062 119.914 -0.265 0.000 3.212 53 V HA 0.043 4.168 4.120 0.008 0.000 0.244 53 V C 1.948 177.954 176.094 -0.147 0.000 1.151 53 V CA 0.861 62.956 62.300 -0.341 0.000 1.119 53 V CB 0.039 31.742 31.823 -0.200 0.000 0.838 53 V HN 0.285 nan 8.190 nan 0.000 0.470 54 L N 0.382 121.577 121.223 -0.047 0.000 2.362 54 L HA 0.150 4.495 4.340 0.008 0.000 0.204 54 L C 1.565 178.435 176.870 -0.001 0.000 1.060 54 L CA 0.991 55.825 54.840 -0.009 0.000 0.827 54 L CB 0.014 42.094 42.059 0.035 0.000 1.027 54 L HN 0.426 nan 8.230 nan 0.000 0.474 55 T N -1.118 113.444 114.554 0.013 0.000 3.185 55 T HA 0.305 4.660 4.350 0.008 0.000 0.287 55 T C 0.707 175.411 174.700 0.007 0.000 1.051 55 T CA 0.233 62.344 62.100 0.019 0.000 1.051 55 T CB 0.776 69.666 68.868 0.036 0.000 1.034 55 T HN 0.219 nan 8.240 nan 0.000 0.685 56 K N 2.789 123.187 120.400 -0.003 0.000 1.995 56 K HA 0.379 4.704 4.320 0.008 0.000 0.217 56 K C 2.797 179.399 176.600 0.004 0.000 1.030 56 K CA 1.385 57.667 56.287 -0.008 0.000 0.971 56 K CB -1.375 31.117 32.500 -0.013 0.000 0.775 56 K HN 0.895 nan 8.250 nan 0.000 0.446 57 L N 0.906 122.133 121.223 0.007 0.000 2.109 57 L HA 0.127 4.472 4.340 0.008 0.000 0.207 57 L C 3.042 179.921 176.870 0.015 0.000 1.086 57 L CA 3.084 57.930 54.840 0.010 0.000 0.760 57 L CB -2.338 39.727 42.059 0.010 0.000 0.910 57 L HN 0.829 nan 8.230 nan 0.000 0.437 58 K N 0.060 120.470 120.400 0.017 0.000 2.034 58 K HA 0.041 4.366 4.320 0.008 0.000 0.214 58 K C 1.751 178.365 176.600 0.023 0.000 1.051 58 K CA 2.251 58.551 56.287 0.021 0.000 0.931 58 K CB -1.430 31.085 32.500 0.025 0.000 0.715 58 K HN 1.689 nan 8.250 nan 0.000 0.446 59 S N 0.871 116.586 115.700 0.025 0.000 2.139 59 S HA 0.481 4.956 4.470 0.008 0.000 0.183 59 S C 0.316 174.932 174.600 0.027 0.000 1.473 59 S CA 0.179 58.395 58.200 0.027 0.000 1.263 59 S CB 0.048 63.268 63.200 0.032 0.000 1.170 59 S HN 0.652 nan 8.310 nan 0.000 0.430 60 E N 1.225 121.438 120.200 0.022 0.000 4.471 60 E HA 0.141 4.496 4.350 0.008 0.000 0.553 60 E C -0.252 176.363 176.600 0.024 0.000 1.497 60 E CA 0.711 57.123 56.400 0.020 0.000 3.644 60 E CB 0.106 29.815 29.700 0.016 0.000 1.401 60 E HN 0.460 nan 8.360 nan 0.000 0.458 61 D N -0.799 119.615 120.400 0.022 0.000 4.248 61 D HA -0.133 4.512 4.640 0.008 0.000 0.248 61 D C -0.010 176.309 176.300 0.031 0.000 1.056 61 D CA 1.090 55.103 54.000 0.023 0.000 1.191 61 D CB -0.724 40.088 40.800 0.021 0.000 0.870 61 D HN 0.536 nan 8.370 nan 0.000 0.410 62 E N 2.431 122.651 120.200 0.033 0.000 2.097 62 E HA -0.173 4.182 4.350 0.008 0.000 0.196 62 E C -0.695 175.936 176.600 0.051 0.000 1.000 62 E CA 1.502 57.931 56.400 0.048 0.000 0.804 62 E CB -0.438 29.288 29.700 0.043 0.000 0.740 62 E HN 0.551 nan 8.360 nan 0.000 0.454 63 P HA -0.194 nan 4.420 nan 0.000 0.217 63 P C 1.276 178.588 177.300 0.019 0.000 1.151 63 P CA 1.549 64.661 63.100 0.021 0.000 0.849 63 P CB -0.118 31.590 31.700 0.014 0.000 0.787 64 T N -0.117 114.452 114.554 0.026 0.000 2.701 64 T HA -0.071 4.284 4.350 0.008 0.000 0.263 64 T C 1.994 176.717 174.700 0.038 0.000 1.040 64 T CA 1.197 63.311 62.100 0.023 0.000 1.147 64 T CB -0.460 68.424 68.868 0.026 0.000 0.865 64 T HN 0.163 nan 8.240 nan 0.000 0.426 65 R N 1.273 121.821 120.500 0.080 0.000 2.083 65 R HA -0.091 4.255 4.340 0.008 0.000 0.237 65 R C 2.979 179.399 176.300 0.200 0.000 1.137 65 R CA 1.728 57.931 56.100 0.171 0.000 0.951 65 R CB -0.575 29.838 30.300 0.188 0.000 0.851 65 R HN 0.435 nan 8.270 nan 0.000 0.434 66 S N 0.929 116.708 115.700 0.133 0.000 2.399 66 S HA -0.125 4.350 4.470 0.008 0.000 0.231 66 S C 1.972 176.476 174.600 -0.160 0.000 1.022 66 S CA 0.979 59.183 58.200 0.007 0.000 0.983 66 S CB -0.143 63.086 63.200 0.048 0.000 0.803 66 S HN 0.253 nan 8.310 nan 0.000 0.480 67 L N 1.901 123.070 121.223 -0.089 0.000 2.093 67 L HA 0.092 4.437 4.340 0.008 0.000 0.208 67 L C 2.618 179.399 176.870 -0.148 0.000 1.085 67 L CA 2.018 56.795 54.840 -0.104 0.000 0.755 67 L CB -1.313 40.714 42.059 -0.053 0.000 0.904 67 L HN 0.492 nan 8.230 nan 0.000 0.435 68 S N -0.395 115.223 115.700 -0.136 0.000 2.359 68 S HA -0.192 4.283 4.470 0.008 0.000 0.222 68 S C 2.117 176.516 174.600 -0.333 0.000 1.038 68 S CA 1.642 59.748 58.200 -0.156 0.000 1.051 68 S CB -1.077 62.087 63.200 -0.059 0.000 0.944 68 S HN 0.614 nan 8.310 nan 0.000 0.433 69 G N 0.747 109.145 108.800 -0.671 0.000 2.448 69 G HA2 -0.067 3.898 3.960 0.008 0.000 0.219 69 G HA3 -0.067 3.898 3.960 0.008 0.000 0.219 69 G C 1.471 176.022 174.900 -0.582 0.000 1.127 69 G CA 0.860 45.336 45.100 -1.041 0.000 0.766 69 G HN 0.525 nan 8.290 nan 0.000 0.552 70 L N -0.235 120.744 121.223 -0.407 0.000 2.162 70 L HA 0.178 4.523 4.340 0.008 0.000 0.205 70 L C 2.728 179.503 176.870 -0.159 0.000 1.086 70 L CA 0.320 55.015 54.840 -0.241 0.000 0.778 70 L CB -0.163 41.788 42.059 -0.179 0.000 0.928 70 L HN 0.161 nan 8.230 nan 0.000 0.446 71 I N -0.176 120.311 120.570 -0.139 0.000 2.286 71 I HA -0.299 3.876 4.170 0.008 0.000 0.248 71 I C 2.438 178.521 176.117 -0.057 0.000 1.115 71 I CA 1.147 62.400 61.300 -0.079 0.000 1.392 71 I CB -0.226 37.741 38.000 -0.056 0.000 1.065 71 I HN 0.258 nan 8.210 nan 0.000 0.418 72 L N 1.160 122.329 121.223 -0.090 0.000 2.141 72 L HA -0.177 4.168 4.340 0.008 0.000 0.209 72 L C 2.414 179.283 176.870 -0.001 0.000 1.094 72 L CA 1.783 56.611 54.840 -0.020 0.000 0.763 72 L CB -0.726 41.278 42.059 -0.091 0.000 0.908 72 L HN 0.117 nan 8.230 nan 0.000 0.437 73 K N -0.141 120.208 120.400 -0.085 0.000 2.097 73 K HA -0.208 4.117 4.320 0.008 0.000 0.206 73 K C 1.617 178.184 176.600 -0.056 0.000 1.049 73 K CA 1.770 58.010 56.287 -0.079 0.000 0.933 73 K CB -0.278 32.154 32.500 -0.113 0.000 0.717 73 K HN 0.537 nan 8.250 nan 0.000 0.442 74 N N 1.254 119.924 118.700 -0.050 0.000 2.270 74 N HA -0.105 4.640 4.740 0.008 0.000 0.181 74 N C 1.374 176.854 175.510 -0.050 0.000 1.016 74 N CA 1.037 54.056 53.050 -0.053 0.000 0.870 74 N CB -0.406 38.052 38.487 -0.049 0.000 0.979 74 N HN 0.279 nan 8.380 nan 0.000 0.431 75 N N 0.787 119.504 118.700 0.028 0.000 2.166 75 N HA -0.080 4.665 4.740 0.008 0.000 0.186 75 N C 1.812 177.461 175.510 0.232 0.000 1.019 75 N CA 0.552 53.682 53.050 0.134 0.000 0.856 75 N CB -0.432 38.214 38.487 0.266 0.000 0.993 75 N HN 0.018 nan 8.380 nan 0.000 0.426 76 V N 0.994 121.004 119.914 0.161 0.000 2.515 76 V HA -0.156 3.969 4.120 0.008 0.000 0.250 76 V C 2.022 178.103 176.094 -0.023 0.000 1.058 76 V CA 1.366 63.690 62.300 0.041 0.000 1.064 76 V CB -0.339 31.379 31.823 -0.175 0.000 0.675 76 V HN 0.315 nan 8.190 nan 0.000 0.461 77 K N 0.296 120.662 120.400 -0.057 0.000 2.031 77 K HA -0.040 4.285 4.320 0.008 0.000 0.205 77 K C 2.264 178.825 176.600 -0.065 0.000 1.049 77 K CA 1.540 57.782 56.287 -0.075 0.000 0.939 77 K CB -0.265 32.186 32.500 -0.081 0.000 0.717 77 K HN 0.470 nan 8.250 nan 0.000 0.438 78 A N 1.086 123.807 122.820 -0.165 0.000 1.887 78 A HA -0.023 4.302 4.320 0.008 0.000 0.212 78 A C 0.646 178.139 177.584 -0.152 0.000 1.198 78 A CA 0.592 52.468 52.037 -0.268 0.000 0.628 78 A CB -0.093 18.576 19.000 -0.552 0.000 0.847 78 A HN 0.265 nan 8.150 nan 0.000 0.449 79 H N -1.649 117.539 119.070 0.197 0.000 2.360 79 H HA 0.352 4.913 4.556 0.009 0.000 0.233 79 H C -0.120 175.470 175.328 0.437 0.000 1.473 79 H CA -0.798 55.388 56.048 0.230 0.000 1.352 79 H CB 0.067 29.919 29.762 0.150 0.000 1.493 79 H HN 0.404 nan 8.280 nan 0.000 0.533 80 F N 2.015 122.131 119.950 0.277 0.000 2.374 80 F HA 0.025 4.557 4.527 0.009 0.000 0.291 80 F C 2.088 178.051 175.800 0.273 0.000 1.084 80 F CA 0.719 58.873 58.000 0.258 0.000 1.413 80 F CB 0.428 39.416 39.000 -0.020 0.000 1.099 80 F HN 0.179 nan 8.300 nan 0.000 0.534 81 Q N 0.261 120.142 119.800 0.134 0.000 2.152 81 Q HA -0.222 4.124 4.340 0.008 0.000 0.206 81 Q C 1.156 177.149 176.000 -0.011 0.000 0.985 81 Q CA 1.676 57.482 55.803 0.006 0.000 0.863 81 Q CB -0.407 28.373 28.738 0.071 0.000 0.904 81 Q HN 0.380 nan 8.270 nan 0.000 0.422 82 N N -0.125 118.618 118.700 0.072 0.000 2.501 82 N HA 0.003 4.748 4.740 0.008 0.000 0.195 82 N C -0.741 174.760 175.510 -0.016 0.000 1.213 82 N CA 0.314 53.377 53.050 0.022 0.000 0.864 82 N CB 0.065 38.561 38.487 0.015 0.000 0.999 82 N HN 0.080 nan 8.380 nan 0.000 0.454 83 F N 2.146 121.990 119.950 -0.176 0.000 2.467 83 F HA 0.214 4.746 4.527 0.009 0.000 0.362 83 F C -1.506 174.206 175.800 -0.147 0.000 1.090 83 F CA -1.990 55.906 58.000 -0.172 0.000 1.202 83 F CB 0.537 39.332 39.000 -0.342 0.000 1.113 83 F HN -0.095 nan 8.300 nan 0.000 0.541 84 P HA 0.016 nan 4.420 nan 0.000 0.267 84 P C 0.571 177.915 177.300 0.073 0.000 1.209 84 P CA 0.040 63.151 63.100 0.019 0.000 0.763 84 P CB 0.534 32.234 31.700 0.001 0.000 0.816 85 N N 3.026 121.740 118.700 0.023 0.000 2.184 85 N HA -0.155 4.590 4.740 0.008 0.000 0.190 85 N C 1.845 177.378 175.510 0.038 0.000 1.011 85 N CA 2.058 55.117 53.050 0.014 0.000 0.867 85 N CB -0.428 38.054 38.487 -0.007 0.000 0.993 85 N HN 0.570 nan 8.380 nan 0.000 0.433 86 G N -0.205 108.625 108.800 0.049 0.000 2.403 86 G HA2 -0.095 3.870 3.960 0.008 0.000 0.216 86 G HA3 -0.095 3.870 3.960 0.008 0.000 0.216 86 G C 1.774 176.752 174.900 0.131 0.000 1.154 86 G CA 0.693 45.831 45.100 0.063 0.000 0.784 86 G HN 0.236 nan 8.290 nan 0.000 0.538 87 V N 0.994 121.017 119.914 0.180 0.000 2.323 87 V HA -0.151 3.974 4.120 0.008 0.000 0.244 87 V C 3.116 179.380 176.094 0.282 0.000 1.041 87 V CA 2.263 64.746 62.300 0.306 0.000 1.025 87 V CB -0.977 31.041 31.823 0.324 0.000 0.656 87 V HN 0.349 nan 8.190 nan 0.000 0.451 88 T N 0.093 114.789 114.554 0.237 0.000 2.624 88 T HA -0.263 4.092 4.350 0.008 0.000 0.268 88 T C 1.649 176.297 174.700 -0.087 0.000 1.041 88 T CA 2.000 64.145 62.100 0.076 0.000 1.159 88 T CB -0.495 68.393 68.868 0.033 0.000 0.863 88 T HN 0.490 nan 8.240 nan 0.000 0.434 89 D N 0.310 120.685 120.400 -0.041 0.000 2.149 89 D HA -0.081 4.564 4.640 0.008 0.000 0.198 89 D C 1.715 177.997 176.300 -0.031 0.000 0.990 89 D CA 0.830 54.785 54.000 -0.074 0.000 0.839 89 D CB -0.421 40.375 40.800 -0.006 0.000 0.948 89 D HN 0.406 nan 8.370 nan 0.000 0.460 90 F N 1.305 121.188 119.950 -0.111 0.000 2.163 90 F HA -0.032 4.500 4.527 0.009 0.000 0.297 90 F C 2.136 177.765 175.800 -0.285 0.000 1.094 90 F CA 0.651 58.573 58.000 -0.131 0.000 1.290 90 F CB -0.421 38.548 39.000 -0.052 0.000 1.017 90 F HN -0.165 nan 8.300 nan 0.000 0.483 91 I N 0.736 120.956 120.570 -0.584 0.000 2.091 91 I HA -0.400 3.775 4.170 0.008 0.000 0.239 91 I C 2.446 178.172 176.117 -0.652 0.000 1.061 91 I CA 1.947 62.644 61.300 -1.004 0.000 1.317 91 I CB -0.514 37.162 38.000 -0.541 0.000 1.031 91 I HN 0.127 nan 8.210 nan 0.000 0.401 92 K N 0.467 120.589 120.400 -0.462 0.000 2.063 92 K HA -0.177 4.148 4.320 0.008 0.000 0.208 92 K C 2.210 178.766 176.600 -0.073 0.000 1.048 92 K CA 2.004 58.047 56.287 -0.407 0.000 0.928 92 K CB -0.263 31.723 32.500 -0.857 0.000 0.713 92 K HN 0.435 nan 8.250 nan 0.000 0.442 93 S N 0.821 116.447 115.700 -0.124 0.000 2.428 93 S HA -0.056 4.419 4.470 0.008 0.000 0.230 93 S C 1.768 176.325 174.600 -0.073 0.000 1.014 93 S CA 0.628 58.812 58.200 -0.027 0.000 0.957 93 S CB -0.008 63.189 63.200 -0.005 0.000 0.784 93 S HN 0.150 nan 8.310 nan 0.000 0.499 94 E N 1.036 121.100 120.200 -0.227 0.000 2.072 94 E HA -0.014 4.341 4.350 0.008 0.000 0.190 94 E C 2.298 178.863 176.600 -0.058 0.000 0.982 94 E CA 0.798 57.071 56.400 -0.211 0.000 0.803 94 E CB -0.779 28.657 29.700 -0.439 0.000 0.755 94 E HN 0.566 nan 8.360 nan 0.000 0.453 95 C N 0.669 119.977 119.300 0.013 0.000 2.413 95 C HA -0.107 4.358 4.460 0.008 0.000 0.278 95 C C 2.837 177.886 174.990 0.098 0.000 1.224 95 C CA 0.558 59.657 59.018 0.136 0.000 1.732 95 C CB -1.165 26.719 27.740 0.241 0.000 2.050 95 C HN 0.379 nan 8.230 nan 0.000 0.463 96 L N 0.982 122.280 121.223 0.124 0.000 2.265 96 L HA -0.128 4.217 4.340 0.008 0.000 0.215 96 L C 2.071 178.956 176.870 0.026 0.000 1.117 96 L CA 1.122 56.007 54.840 0.074 0.000 0.782 96 L CB -0.639 41.488 42.059 0.113 0.000 0.914 96 L HN 0.514 nan 8.230 nan 0.000 0.441 97 N N -0.112 118.597 118.700 0.016 0.000 2.461 97 N HA -0.028 4.717 4.740 0.008 0.000 0.188 97 N C 0.540 176.037 175.510 -0.021 0.000 1.134 97 N CA 0.533 53.580 53.050 -0.005 0.000 0.878 97 N CB 0.254 38.735 38.487 -0.010 0.000 0.972 97 N HN 0.445 nan 8.380 nan 0.000 0.456 98 N N 0.293 118.980 118.700 -0.022 0.000 2.307 98 N HA 0.153 4.898 4.740 0.008 0.000 0.248 98 N C 1.027 176.524 175.510 -0.022 0.000 1.322 98 N CA -0.088 52.937 53.050 -0.042 0.000 0.861 98 N CB 1.096 39.524 38.487 -0.098 0.000 1.303 98 N HN 0.134 nan 8.380 nan 0.000 0.498 99 I N 0.394 120.958 120.570 -0.010 0.000 2.361 99 I HA -0.120 4.055 4.170 0.008 0.000 0.251 99 I C 1.321 177.423 176.117 -0.025 0.000 1.133 99 I CA 1.275 62.568 61.300 -0.012 0.000 1.413 99 I CB 0.236 38.215 38.000 -0.035 0.000 1.073 99 I HN 0.089 nan 8.210 nan 0.000 0.424 100 G N 0.135 108.918 108.800 -0.028 0.000 4.291 100 G HA2 0.057 4.022 3.960 0.008 0.000 0.304 100 G HA3 0.057 4.022 3.960 0.008 0.000 0.304 100 G C -0.393 174.500 174.900 -0.010 0.000 1.264 100 G CA -0.360 44.724 45.100 -0.028 0.000 1.039 100 G HN 0.223 nan 8.290 nan 0.000 0.578 101 D N 0.355 120.748 120.400 -0.012 0.000 2.455 101 D HA 0.120 4.765 4.640 0.008 0.000 0.241 101 D C 2.001 178.307 176.300 0.010 0.000 1.138 101 D CA 0.626 54.618 54.000 -0.014 0.000 0.877 101 D CB 1.084 41.862 40.800 -0.037 0.000 1.187 101 D HN 0.158 nan 8.370 nan 0.000 0.451 102 S N 1.468 117.176 115.700 0.013 0.000 2.515 102 S HA -0.091 4.384 4.470 0.008 0.000 0.231 102 S C 0.956 175.576 174.600 0.035 0.000 0.987 102 S CA -0.004 58.216 58.200 0.033 0.000 0.936 102 S CB -0.037 63.181 63.200 0.030 0.000 0.766 102 S HN 0.295 nan 8.310 nan 0.000 0.528 103 S N 2.398 118.112 115.700 0.023 0.000 2.430 103 S HA 0.430 4.905 4.470 0.008 0.000 0.289 103 S C -1.768 172.857 174.600 0.041 0.000 1.143 103 S CA -1.671 56.547 58.200 0.029 0.000 1.067 103 S CB 1.015 64.228 63.200 0.022 0.000 0.964 103 S HN 0.035 nan 8.310 nan 0.000 0.485 104 P HA -0.140 nan 4.420 nan 0.000 0.216 104 P C 1.484 178.815 177.300 0.052 0.000 1.154 104 P CA 0.652 63.783 63.100 0.052 0.000 0.865 104 P CB 0.092 31.822 31.700 0.049 0.000 0.789 105 L N -1.285 119.969 121.223 0.052 0.000 2.072 105 L HA -0.060 4.286 4.340 0.008 0.000 0.205 105 L C 2.198 179.125 176.870 0.095 0.000 1.079 105 L CA 1.610 56.485 54.840 0.058 0.000 0.752 105 L CB -1.080 41.008 42.059 0.050 0.000 0.906 105 L HN -0.147 nan 8.230 nan 0.000 0.436 106 I N -0.241 120.393 120.570 0.106 0.000 2.252 106 I HA -0.268 3.907 4.170 0.008 0.000 0.245 106 I C 2.707 178.920 176.117 0.161 0.000 1.102 106 I CA 1.616 63.016 61.300 0.167 0.000 1.385 106 I CB -0.311 37.719 38.000 0.051 0.000 1.064 106 I HN 0.332 nan 8.210 nan 0.000 0.414 107 R N 1.481 122.031 120.500 0.083 0.000 2.148 107 R HA -0.038 4.307 4.340 0.008 0.000 0.223 107 R C 2.131 178.477 176.300 0.076 0.000 1.088 107 R CA 1.278 57.418 56.100 0.067 0.000 0.985 107 R CB -0.365 29.954 30.300 0.031 0.000 0.880 107 R HN 0.263 nan 8.270 nan 0.000 0.451 108 A N 0.736 123.600 122.820 0.073 0.000 1.969 108 A HA -0.052 4.273 4.320 0.008 0.000 0.218 108 A C 2.032 179.650 177.584 0.057 0.000 1.169 108 A CA 1.675 53.744 52.037 0.054 0.000 0.635 108 A CB -0.644 18.380 19.000 0.040 0.000 0.810 108 A HN 0.470 nan 8.150 nan 0.000 0.445 109 T N -0.303 114.310 114.554 0.099 0.000 2.770 109 T HA -0.088 4.268 4.350 0.008 0.000 0.263 109 T C 1.881 176.656 174.700 0.125 0.000 1.039 109 T CA 1.423 63.554 62.100 0.052 0.000 1.142 109 T CB -0.515 68.352 68.868 -0.002 0.000 0.868 109 T HN 0.134 nan 8.240 nan 0.000 0.435 110 V N 1.812 121.943 119.914 0.360 0.000 2.324 110 V HA -0.178 3.947 4.120 0.008 0.000 0.250 110 V C 2.855 179.039 176.094 0.151 0.000 1.060 110 V CA 2.034 64.527 62.300 0.321 0.000 1.042 110 V CB -1.520 30.435 31.823 0.220 0.000 0.650 110 V HN 0.617 nan 8.190 nan 0.000 0.450 111 G N -0.353 108.500 108.800 0.088 0.000 2.480 111 G HA2 -0.298 3.667 3.960 0.008 0.000 0.216 111 G HA3 -0.298 3.667 3.960 0.008 0.000 0.216 111 G C 1.662 176.571 174.900 0.016 0.000 1.200 111 G CA 1.146 46.265 45.100 0.032 0.000 0.782 111 G HN 0.516 nan 8.290 nan 0.000 0.554 112 I N -0.361 120.212 120.570 0.005 0.000 2.493 112 I HA -0.055 4.120 4.170 0.008 0.000 0.254 112 I C 2.441 178.546 176.117 -0.020 0.000 1.160 112 I CA 0.405 61.693 61.300 -0.020 0.000 1.445 112 I CB 0.014 37.992 38.000 -0.037 0.000 1.086 112 I HN 0.102 nan 8.210 nan 0.000 0.433 113 L N 1.079 122.302 121.223 0.000 0.000 1.955 113 L HA -0.240 4.105 4.340 0.008 0.000 0.213 113 L C 2.325 179.237 176.870 0.071 0.000 1.072 113 L CA 2.094 56.949 54.840 0.026 0.000 0.755 113 L CB -0.859 41.252 42.059 0.086 0.000 0.888 113 L HN 0.215 nan 8.230 nan 0.000 0.432 114 I N -1.221 119.423 120.570 0.124 0.000 2.151 114 I HA -0.403 3.772 4.170 0.008 0.000 0.243 114 I C 2.262 178.425 176.117 0.077 0.000 1.080 114 I CA 1.882 63.285 61.300 0.171 0.000 1.339 114 I CB -0.711 37.337 38.000 0.080 0.000 1.039 114 I HN 0.313 nan 8.210 nan 0.000 0.409 115 T N 0.040 114.595 114.554 0.001 0.000 2.684 115 T HA -0.194 4.161 4.350 0.008 0.000 0.267 115 T C 1.887 176.561 174.700 -0.044 0.000 1.036 115 T CA 2.235 64.313 62.100 -0.037 0.000 1.148 115 T CB -0.430 68.411 68.868 -0.045 0.000 0.863 115 T HN 0.434 nan 8.240 nan 0.000 0.436 116 T N 2.048 116.568 114.554 -0.057 0.000 2.737 116 T HA 0.055 4.410 4.350 0.008 0.000 0.265 116 T C 2.023 176.612 174.700 -0.185 0.000 1.038 116 T CA 0.877 62.911 62.100 -0.110 0.000 1.144 116 T CB -0.471 68.328 68.868 -0.116 0.000 0.866 116 T HN 0.294 nan 8.240 nan 0.000 0.434 117 I N 1.738 122.202 120.570 -0.178 0.000 2.145 117 I HA -0.271 3.905 4.170 0.008 0.000 0.244 117 I C 2.918 178.935 176.117 -0.167 0.000 1.075 117 I CA 1.427 62.542 61.300 -0.308 0.000 1.332 117 I CB -0.475 37.448 38.000 -0.128 0.000 1.033 117 I HN 0.221 nan 8.210 nan 0.000 0.410 118 A N -0.594 122.251 122.820 0.041 0.000 1.969 118 A HA -0.172 4.153 4.320 0.008 0.000 0.218 118 A C 2.461 180.028 177.584 -0.028 0.000 1.169 118 A CA 2.062 54.136 52.037 0.063 0.000 0.635 118 A CB -0.556 18.452 19.000 0.012 0.000 0.810 118 A HN 0.386 nan 8.150 nan 0.000 0.445 119 S N -0.873 114.780 115.700 -0.078 0.000 2.371 119 S HA -0.055 4.420 4.470 0.008 0.000 0.224 119 S C 2.049 176.594 174.600 -0.091 0.000 1.029 119 S CA 1.588 59.741 58.200 -0.078 0.000 0.978 119 S CB -0.116 63.034 63.200 -0.082 0.000 0.833 119 S HN 0.549 nan 8.310 nan 0.000 0.466 120 K N 1.653 121.946 120.400 -0.179 0.000 1.991 120 K HA 0.108 4.433 4.320 0.008 0.000 0.208 120 K C 0.953 177.509 176.600 -0.073 0.000 1.038 120 K CA 0.952 57.128 56.287 -0.186 0.000 0.943 120 K CB -0.896 31.351 32.500 -0.421 0.000 0.736 120 K HN 0.237 nan 8.250 nan 0.000 0.440 121 G N 2.423 111.133 108.800 -0.149 0.000 2.394 121 G HA2 0.113 4.078 3.960 0.008 0.000 0.298 121 G HA3 0.113 4.078 3.960 0.008 0.000 0.298 121 G C -0.283 174.674 174.900 0.095 0.000 1.087 121 G CA -0.508 44.691 45.100 0.165 0.000 1.035 121 G HN 0.175 nan 8.290 nan 0.000 0.420 122 E N 1.920 122.175 120.200 0.091 0.000 3.271 122 E HA -0.054 4.302 4.350 0.008 0.000 0.332 122 E C 2.114 178.760 176.600 0.077 0.000 1.505 122 E CA -0.404 56.034 56.400 0.062 0.000 1.676 122 E CB 0.145 29.875 29.700 0.050 0.000 1.053 122 E HN 0.374 nan 8.360 nan 0.000 0.687 123 L N -0.176 121.079 121.223 0.052 0.000 1.944 123 L HA -0.306 4.039 4.340 0.008 0.000 0.218 123 L C 2.553 179.468 176.870 0.074 0.000 1.075 123 L CA 1.922 56.790 54.840 0.047 0.000 0.767 123 L CB -0.949 41.126 42.059 0.026 0.000 0.890 123 L HN 0.390 nan 8.230 nan 0.000 0.434 124 Q N -0.009 119.833 119.800 0.070 0.000 2.170 124 Q HA -0.131 4.214 4.340 0.008 0.000 0.203 124 Q C 1.990 178.058 176.000 0.114 0.000 0.976 124 Q CA 1.127 56.977 55.803 0.078 0.000 0.858 124 Q CB -0.322 28.450 28.738 0.058 0.000 0.907 124 Q HN 0.475 nan 8.270 nan 0.000 0.433 125 N N -0.342 118.434 118.700 0.126 0.000 2.334 125 N HA -0.162 4.583 4.740 0.008 0.000 0.187 125 N C -0.251 175.382 175.510 0.206 0.000 1.016 125 N CA 0.877 54.012 53.050 0.143 0.000 0.879 125 N CB 0.019 38.598 38.487 0.152 0.000 0.965 125 N HN 0.317 nan 8.380 nan 0.000 0.438 126 W N 2.449 123.763 121.300 0.023 0.000 2.483 126 W HA 0.373 5.037 4.660 0.008 0.000 0.291 126 W C -2.195 174.324 176.519 0.001 0.000 0.997 126 W CA -2.539 54.813 57.345 0.011 0.000 1.591 126 W CB 0.833 30.290 29.460 -0.004 0.000 1.434 126 W HN -0.056 nan 8.180 nan 0.000 0.420 127 P HA -0.065 nan 4.420 nan 0.000 0.231 127 P C 0.994 178.344 177.300 0.083 0.000 1.168 127 P CA 1.187 64.368 63.100 0.135 0.000 0.779 127 P CB 0.599 32.365 31.700 0.110 0.000 0.844 128 D N -0.721 119.778 120.400 0.166 0.000 2.348 128 D HA 0.016 4.661 4.640 0.008 0.000 0.211 128 D C 1.808 178.031 176.300 -0.128 0.000 0.998 128 D CA 0.017 54.064 54.000 0.079 0.000 0.873 128 D CB -0.024 40.909 40.800 0.221 0.000 0.925 128 D HN 0.083 nan 8.370 nan 0.000 0.524 129 L N 0.251 121.224 121.223 -0.417 0.000 1.961 129 L HA -0.147 4.198 4.340 0.008 0.000 0.209 129 L C 2.497 179.120 176.870 -0.411 0.000 1.075 129 L CA 0.923 55.308 54.840 -0.758 0.000 0.749 129 L CB -0.384 40.948 42.059 -1.212 0.000 0.890 129 L HN 0.044 nan 8.230 nan 0.000 0.433 130 L N -0.311 120.735 121.223 -0.296 0.000 2.012 130 L HA -0.186 4.159 4.340 0.008 0.000 0.210 130 L C -0.146 176.631 176.870 -0.155 0.000 1.073 130 L CA 1.350 56.074 54.840 -0.194 0.000 0.748 130 L CB -2.176 39.808 42.059 -0.123 0.000 0.891 130 L HN 0.264 nan 8.230 nan 0.000 0.431 131 P HA -0.214 nan 4.420 nan 0.000 0.216 131 P C 1.447 178.678 177.300 -0.115 0.000 1.153 131 P CA 1.359 64.397 63.100 -0.104 0.000 0.858 131 P CB 0.053 31.710 31.700 -0.072 0.000 0.789 132 K N -0.354 119.968 120.400 -0.131 0.000 2.097 132 K HA -0.038 4.288 4.320 0.008 0.000 0.205 132 K C 2.000 178.511 176.600 -0.148 0.000 1.050 132 K CA 1.204 57.418 56.287 -0.120 0.000 0.938 132 K CB -1.161 31.275 32.500 -0.107 0.000 0.718 132 K HN 0.059 nan 8.250 nan 0.000 0.442 133 L N -0.342 120.766 121.223 -0.191 0.000 2.005 133 L HA -0.257 4.088 4.340 0.008 0.000 0.207 133 L C 2.419 179.160 176.870 -0.215 0.000 1.072 133 L CA 1.369 56.085 54.840 -0.207 0.000 0.744 133 L CB -0.603 41.320 42.059 -0.226 0.000 0.895 133 L HN 0.224 nan 8.230 nan 0.000 0.433 134 C N -0.634 118.550 119.300 -0.193 0.000 2.401 134 C HA -0.175 4.290 4.460 0.008 0.000 0.276 134 C C 3.123 178.005 174.990 -0.180 0.000 1.233 134 C CA 1.278 60.173 59.018 -0.205 0.000 1.753 134 C CB -0.829 26.805 27.740 -0.177 0.000 2.029 134 C HN 0.529 nan 8.230 nan 0.000 0.478 135 S N 0.890 116.507 115.700 -0.138 0.000 2.368 135 S HA -0.033 4.442 4.470 0.008 0.000 0.224 135 S C 1.664 176.211 174.600 -0.088 0.000 1.029 135 S CA 1.072 59.213 58.200 -0.098 0.000 0.988 135 S CB -0.361 62.793 63.200 -0.077 0.000 0.838 135 S HN 0.577 nan 8.310 nan 0.000 0.462 136 L N 1.513 122.669 121.223 -0.112 0.000 2.353 136 L HA -0.027 4.318 4.340 0.008 0.000 0.220 136 L C 1.925 178.729 176.870 -0.110 0.000 1.133 136 L CA 0.529 55.309 54.840 -0.099 0.000 0.798 136 L CB -0.626 41.364 42.059 -0.113 0.000 0.922 136 L HN 0.309 nan 8.230 nan 0.000 0.445 137 L N -0.396 120.716 121.223 -0.184 0.000 2.189 137 L HA -0.270 4.075 4.340 0.008 0.000 0.214 137 L C 1.875 178.808 176.870 0.105 0.000 1.097 137 L CA 1.297 55.989 54.840 -0.247 0.000 0.764 137 L CB -0.583 41.197 42.059 -0.465 0.000 0.900 137 L HN 0.430 nan 8.230 nan 0.000 0.436 138 D N -1.144 119.328 120.400 0.121 0.000 2.271 138 D HA -0.059 4.586 4.640 0.008 0.000 0.206 138 D C 1.151 177.525 176.300 0.123 0.000 0.967 138 D CA 0.264 54.372 54.000 0.180 0.000 0.867 138 D CB 0.173 41.032 40.800 0.097 0.000 0.960 138 D HN 0.055 nan 8.370 nan 0.000 0.509 139 S N 1.860 117.597 115.700 0.061 0.000 3.184 139 S HA -0.121 4.354 4.470 0.008 0.000 0.376 139 S C 0.832 175.477 174.600 0.075 0.000 1.163 139 S CA 0.069 58.296 58.200 0.045 0.000 1.314 139 S CB -0.130 63.076 63.200 0.010 0.000 0.962 139 S HN 0.030 nan 8.310 nan 0.000 0.543 140 E N 3.757 124.004 120.200 0.078 0.000 3.079 140 E HA -0.038 4.317 4.350 0.008 0.000 0.267 140 E C -0.133 176.527 176.600 0.100 0.000 1.509 140 E CA 0.286 56.745 56.400 0.098 0.000 1.630 140 E CB -0.534 29.210 29.700 0.072 0.000 1.373 140 E HN 0.751 nan 8.360 nan 0.000 0.439 141 D N -2.064 118.400 120.400 0.107 0.000 2.896 141 D HA -0.017 4.628 4.640 0.008 0.000 0.241 141 D C 0.556 176.949 176.300 0.156 0.000 1.188 141 D CA -0.812 53.264 54.000 0.126 0.000 0.879 141 D CB 0.604 41.456 40.800 0.086 0.000 1.553 141 D HN -0.084 nan 8.370 nan 0.000 0.515 142 Y N 3.869 124.232 120.300 0.105 0.000 2.081 142 Y HA -0.273 4.282 4.550 0.008 0.000 0.280 142 Y C 1.466 177.423 175.900 0.094 0.000 1.163 142 Y CA 2.108 60.288 58.100 0.133 0.000 1.135 142 Y CB -0.377 38.165 38.460 0.136 0.000 0.970 142 Y HN 0.474 nan 8.280 nan 0.000 0.498 143 N N -0.506 118.207 118.700 0.023 0.000 2.137 143 N HA -0.175 4.570 4.740 0.008 0.000 0.190 143 N C 1.741 177.172 175.510 -0.132 0.000 1.017 143 N CA 2.076 55.081 53.050 -0.076 0.000 0.859 143 N CB -0.835 37.683 38.487 0.052 0.000 1.002 143 N HN 0.446 nan 8.380 nan 0.000 0.428 144 T N 0.223 114.731 114.554 -0.076 0.000 2.777 144 T HA -0.115 4.240 4.350 0.008 0.000 0.266 144 T C 2.195 176.824 174.700 -0.118 0.000 1.040 144 T CA 0.989 63.045 62.100 -0.074 0.000 1.141 144 T CB -0.633 68.216 68.868 -0.033 0.000 0.868 144 T HN 0.440 nan 8.240 nan 0.000 0.444 145 C N 1.770 120.993 119.300 -0.129 0.000 2.432 145 C HA -0.070 4.395 4.460 0.008 0.000 0.277 145 C C 2.721 177.591 174.990 -0.199 0.000 1.249 145 C CA 1.293 60.229 59.018 -0.136 0.000 1.725 145 C CB -1.041 26.684 27.740 -0.025 0.000 2.028 145 C HN 0.658 nan 8.230 nan 0.000 0.477 146 E N 0.061 120.044 120.200 -0.363 0.000 2.051 146 E HA -0.087 4.268 4.350 0.008 0.000 0.192 146 E C 2.288 178.788 176.600 -0.167 0.000 0.991 146 E CA 1.499 57.721 56.400 -0.298 0.000 0.799 146 E CB -0.624 28.778 29.700 -0.498 0.000 0.748 146 E HN 0.722 nan 8.360 nan 0.000 0.449 147 G N 1.054 109.758 108.800 -0.159 0.000 2.491 147 G HA2 -0.325 3.640 3.960 0.008 0.000 0.218 147 G HA3 -0.325 3.640 3.960 0.008 0.000 0.218 147 G C 1.692 176.508 174.900 -0.140 0.000 1.180 147 G CA 1.489 46.521 45.100 -0.114 0.000 0.774 147 G HN 0.445 nan 8.290 nan 0.000 0.562 148 A N 0.149 122.874 122.820 -0.158 0.000 1.865 148 A HA 0.041 4.366 4.320 0.008 0.000 0.217 148 A C 2.289 179.739 177.584 -0.223 0.000 1.191 148 A CA 1.546 53.465 52.037 -0.196 0.000 0.623 148 A CB -0.680 18.184 19.000 -0.227 0.000 0.826 148 A HN 0.372 nan 8.150 nan 0.000 0.444 149 F N 0.269 120.006 119.950 -0.355 0.000 2.134 149 F HA -0.110 4.422 4.527 0.008 0.000 0.299 149 F C 2.595 177.934 175.800 -0.768 0.000 1.097 149 F CA 0.822 58.538 58.000 -0.472 0.000 1.264 149 F CB -0.263 38.456 39.000 -0.469 0.000 1.001 149 F HN 0.347 nan 8.300 nan 0.000 0.479 150 G N -0.511 107.885 108.800 -0.672 0.000 2.446 150 G HA2 -0.289 3.676 3.960 0.008 0.000 0.217 150 G HA3 -0.289 3.676 3.960 0.008 0.000 0.217 150 G C 1.757 176.481 174.900 -0.293 0.000 1.168 150 G CA 0.811 45.488 45.100 -0.704 0.000 0.771 150 G HN 0.482 nan 8.290 nan 0.000 0.551 151 A N 0.416 123.112 122.820 -0.207 0.000 1.877 151 A HA 0.071 4.396 4.320 0.008 0.000 0.216 151 A C 2.356 179.852 177.584 -0.148 0.000 1.186 151 A CA 1.703 53.650 52.037 -0.150 0.000 0.620 151 A CB -0.537 18.374 19.000 -0.148 0.000 0.822 151 A HN 0.459 nan 8.150 nan 0.000 0.443 152 L N -0.040 121.090 121.223 -0.155 0.000 2.079 152 L HA -0.202 4.143 4.340 0.008 0.000 0.210 152 L C 2.423 179.254 176.870 -0.065 0.000 1.081 152 L CA 2.517 57.294 54.840 -0.106 0.000 0.752 152 L CB -0.785 41.212 42.059 -0.102 0.000 0.896 152 L HN 0.609 nan 8.230 nan 0.000 0.433 153 Q N -0.703 119.051 119.800 -0.077 0.000 2.084 153 Q HA -0.222 4.123 4.340 0.008 0.000 0.202 153 Q C 2.112 178.077 176.000 -0.058 0.000 0.978 153 Q CA 1.591 57.366 55.803 -0.048 0.000 0.844 153 Q CB 0.025 28.767 28.738 0.007 0.000 0.898 153 Q HN 0.519 nan 8.270 nan 0.000 0.426 154 K N 0.089 120.450 120.400 -0.066 0.000 2.148 154 K HA -0.088 4.237 4.320 0.008 0.000 0.204 154 K C 2.069 178.626 176.600 -0.072 0.000 1.050 154 K CA 0.847 57.097 56.287 -0.061 0.000 0.942 154 K CB -0.025 32.441 32.500 -0.057 0.000 0.724 154 K HN 0.299 nan 8.250 nan 0.000 0.446 155 I N 0.747 121.268 120.570 -0.081 0.000 2.252 155 I HA -0.307 3.868 4.170 0.008 0.000 0.245 155 I C 2.354 178.421 176.117 -0.083 0.000 1.102 155 I CA 0.953 62.203 61.300 -0.083 0.000 1.385 155 I CB -0.319 37.623 38.000 -0.097 0.000 1.064 155 I HN 0.151 nan 8.210 nan 0.000 0.414 156 C N 0.038 119.284 119.300 -0.089 0.000 2.435 156 C HA -0.109 4.356 4.460 0.008 0.000 0.279 156 C C 2.601 177.501 174.990 -0.150 0.000 1.321 156 C CA 0.435 59.371 59.018 -0.136 0.000 1.752 156 C CB -1.134 26.503 27.740 -0.172 0.000 1.959 156 C HN 0.499 nan 8.230 nan 0.000 0.500 157 E N 1.118 121.249 120.200 -0.115 0.000 2.008 157 E HA -0.116 4.239 4.350 0.008 0.000 0.191 157 E C 1.432 177.980 176.600 -0.087 0.000 0.986 157 E CA 1.129 57.469 56.400 -0.101 0.000 0.807 157 E CB 0.072 29.727 29.700 -0.076 0.000 0.766 157 E HN 0.543 nan 8.360 nan 0.000 0.450 158 D N 0.379 120.735 120.400 -0.074 0.000 1.989 158 D HA -0.061 4.584 4.640 0.008 0.000 0.259 158 D C 1.414 177.677 176.300 -0.061 0.000 0.992 158 D CA 1.038 55.001 54.000 -0.063 0.000 0.912 158 D CB -0.778 39.988 40.800 -0.057 0.000 1.083 158 D HN 0.152 nan 8.370 nan 0.000 0.441 159 S N -0.100 115.566 115.700 -0.056 0.000 2.502 159 S HA 0.412 4.888 4.470 0.008 0.000 0.251 159 S C 0.195 174.761 174.600 -0.057 0.000 1.254 159 S CA -0.014 58.156 58.200 -0.050 0.000 0.989 159 S CB 0.106 63.282 63.200 -0.040 0.000 1.015 159 S HN 0.789 nan 8.310 nan 0.000 0.529 160 A N 0.387 123.179 122.820 -0.046 0.000 1.507 160 A HA -0.064 4.261 4.320 0.008 0.000 0.191 160 A C 0.394 177.940 177.584 -0.064 0.000 1.258 160 A CA 0.393 52.402 52.037 -0.048 0.000 0.630 160 A CB -1.444 17.524 19.000 -0.052 0.000 1.129 160 A HN 0.695 nan 8.150 nan 0.000 0.175 161 E N 2.082 122.252 120.200 -0.050 0.000 2.301 161 E HA 0.337 4.692 4.350 0.008 0.000 0.195 161 E C 1.274 177.837 176.600 -0.062 0.000 1.171 161 E CA 0.379 56.745 56.400 -0.058 0.000 1.142 161 E CB -0.811 28.866 29.700 -0.039 0.000 1.218 161 E HN 0.955 nan 8.360 nan 0.000 0.448 162 I N -0.650 119.874 120.570 -0.075 0.000 4.908 162 I HA -0.431 3.745 4.170 0.008 0.000 0.038 162 I C 0.482 176.601 176.117 0.004 0.000 0.635 162 I CA 1.067 62.332 61.300 -0.058 0.000 0.202 162 I CB -1.089 36.833 38.000 -0.129 0.000 0.318 162 I HN 0.243 nan 8.210 nan 0.000 0.150 163 L N 1.995 123.236 121.223 0.030 0.000 3.995 163 L HA -0.213 4.132 4.340 0.008 0.000 0.513 163 L C -0.591 176.307 176.870 0.046 0.000 1.147 163 L CA 1.217 56.084 54.840 0.045 0.000 0.703 163 L CB -1.526 40.548 42.059 0.024 0.000 1.306 163 L HN 0.695 nan 8.230 nan 0.000 0.779 164 D N -1.953 118.491 120.400 0.074 0.000 3.078 164 D HA 0.155 4.800 4.640 0.008 0.000 0.363 164 D C 0.131 176.465 176.300 0.057 0.000 1.391 164 D CA -0.281 53.755 54.000 0.060 0.000 0.754 164 D CB 0.480 41.317 40.800 0.061 0.000 1.238 164 D HN 0.110 nan 8.370 nan 0.000 0.500 165 S N 0.248 115.970 115.700 0.037 0.000 2.548 165 S HA 0.258 4.733 4.470 0.008 0.000 0.277 165 S C 0.319 174.915 174.600 -0.006 0.000 1.315 165 S CA 0.122 58.326 58.200 0.006 0.000 1.050 165 S CB 0.276 63.472 63.200 -0.005 0.000 0.918 165 S HN 0.319 nan 8.310 nan 0.000 0.497 166 D N 1.549 121.935 120.400 -0.023 0.000 3.028 166 D HA -0.179 4.466 4.640 0.008 0.000 0.211 166 D C 0.843 177.133 176.300 -0.017 0.000 1.136 166 D CA 1.283 55.268 54.000 -0.026 0.000 0.987 166 D CB -1.578 39.208 40.800 -0.023 0.000 1.128 166 D HN 0.319 nan 8.370 nan 0.000 0.406 167 V N -0.073 119.836 119.914 -0.007 0.000 3.078 167 V HA -0.120 4.006 4.120 0.008 0.000 0.265 167 V C 2.032 178.115 176.094 -0.019 0.000 1.122 167 V CA 1.478 63.775 62.300 -0.005 0.000 1.141 167 V CB -0.409 31.418 31.823 0.006 0.000 0.735 167 V HN 0.392 nan 8.190 nan 0.000 0.498 168 L N -0.751 120.456 121.223 -0.026 0.000 2.585 168 L HA 0.293 4.638 4.340 0.008 0.000 0.226 168 L C 0.985 177.818 176.870 -0.062 0.000 1.113 168 L CA 0.366 55.177 54.840 -0.048 0.000 0.876 168 L CB -0.230 41.798 42.059 -0.051 0.000 1.072 168 L HN 0.308 nan 8.230 nan 0.000 0.468 169 D N 1.465 121.835 120.400 -0.049 0.000 2.835 169 D HA -0.174 4.471 4.640 0.008 0.000 0.230 169 D C -0.134 176.128 176.300 -0.063 0.000 1.130 169 D CA 0.608 54.579 54.000 -0.049 0.000 0.738 169 D CB -0.199 40.573 40.800 -0.046 0.000 1.090 169 D HN 0.598 nan 8.370 nan 0.000 0.433 170 R N -2.917 117.540 120.500 -0.073 0.000 2.739 170 R HA 0.528 4.873 4.340 0.008 0.000 0.266 170 R C -3.411 172.832 176.300 -0.095 0.000 1.044 170 R CA -1.610 54.438 56.100 -0.087 0.000 0.885 170 R CB 0.308 30.540 30.300 -0.114 0.000 1.260 170 R HN -0.152 nan 8.270 nan 0.000 0.477 171 P HA 0.182 nan 4.420 nan 0.000 0.272 171 P C 0.841 178.052 177.300 -0.148 0.000 1.223 171 P CA -0.574 62.468 63.100 -0.096 0.000 0.784 171 P CB 0.693 32.346 31.700 -0.077 0.000 0.923 172 L N 1.015 122.144 121.223 -0.157 0.000 2.191 172 L HA -0.189 4.156 4.340 0.008 0.000 0.212 172 L C 2.192 178.893 176.870 -0.282 0.000 1.103 172 L CA 1.235 55.923 54.840 -0.253 0.000 0.769 172 L CB -0.697 41.212 42.059 -0.249 0.000 0.908 172 L HN 0.518 nan 8.230 nan 0.000 0.438 173 N N 1.088 119.677 118.700 -0.185 0.000 2.205 173 N HA -0.208 4.537 4.740 0.008 0.000 0.186 173 N C 1.707 177.104 175.510 -0.188 0.000 1.015 173 N CA 1.625 54.585 53.050 -0.150 0.000 0.862 173 N CB 0.000 38.456 38.487 -0.052 0.000 0.986 173 N HN 0.373 nan 8.380 nan 0.000 0.429 174 I N -0.451 120.006 120.570 -0.187 0.000 2.585 174 I HA -0.110 4.065 4.170 0.008 0.000 0.254 174 I C 2.003 177.948 176.117 -0.286 0.000 1.129 174 I CA 0.293 61.478 61.300 -0.190 0.000 1.455 174 I CB -0.028 37.886 38.000 -0.145 0.000 1.111 174 I HN 0.085 nan 8.210 nan 0.000 0.433 175 M N 0.380 119.762 119.600 -0.363 0.000 2.156 175 M HA -0.108 4.377 4.480 0.008 0.000 0.264 175 M C 2.280 178.167 176.300 -0.690 0.000 1.067 175 M CA 1.782 56.749 55.300 -0.554 0.000 1.131 175 M CB -0.667 31.606 32.600 -0.545 0.000 1.368 175 M HN 0.108 nan 8.290 nan 0.000 0.416 176 I N -0.043 120.203 120.570 -0.539 0.000 2.179 176 I HA -0.233 3.942 4.170 0.008 0.000 0.242 176 I C -0.764 175.147 176.117 -0.342 0.000 1.088 176 I CA 1.523 62.570 61.300 -0.422 0.000 1.357 176 I CB -1.351 36.335 38.000 -0.522 0.000 1.051 176 I HN 0.178 nan 8.210 nan 0.000 0.409 177 P HA -0.179 nan 4.420 nan 0.000 0.220 177 P C 1.386 178.607 177.300 -0.132 0.000 1.148 177 P CA 1.320 64.284 63.100 -0.226 0.000 0.803 177 P CB -0.034 31.576 31.700 -0.150 0.000 0.782 178 K N -0.841 119.453 120.400 -0.177 0.000 2.062 178 K HA -0.082 4.243 4.320 0.008 0.000 0.205 178 K C 1.930 178.638 176.600 0.180 0.000 1.051 178 K CA 1.135 57.372 56.287 -0.084 0.000 0.941 178 K CB -0.505 31.877 32.500 -0.196 0.000 0.719 178 K HN 0.075 nan 8.250 nan 0.000 0.440 179 F N 1.414 121.453 119.950 0.148 0.000 2.069 179 F HA -0.255 4.277 4.527 0.009 0.000 0.298 179 F C 2.164 178.116 175.800 0.252 0.000 1.113 179 F CA 0.748 58.941 58.000 0.321 0.000 1.214 179 F CB -0.193 38.914 39.000 0.178 0.000 0.978 179 F HN -0.016 nan 8.300 nan 0.000 0.474 180 L N -0.270 120.985 121.223 0.053 0.000 2.129 180 L HA -0.291 4.054 4.340 0.008 0.000 0.212 180 L C 2.392 179.199 176.870 -0.105 0.000 1.087 180 L CA 1.320 55.908 54.840 -0.419 0.000 0.757 180 L CB -0.869 40.960 42.059 -0.384 0.000 0.896 180 L HN 0.299 nan 8.230 nan 0.000 0.434 181 Q N -0.547 119.266 119.800 0.022 0.000 2.135 181 Q HA -0.204 4.141 4.340 0.008 0.000 0.204 181 Q C 2.108 178.156 176.000 0.081 0.000 0.981 181 Q CA 1.709 57.503 55.803 -0.015 0.000 0.856 181 Q CB -0.111 28.531 28.738 -0.160 0.000 0.902 181 Q HN 0.432 nan 8.270 nan 0.000 0.425 182 F N -1.129 119.038 119.950 0.362 0.000 2.502 182 F HA -0.076 4.456 4.527 0.008 0.000 0.298 182 F C 1.349 177.417 175.800 0.448 0.000 1.111 182 F CA 0.482 58.752 58.000 0.449 0.000 1.445 182 F CB -0.031 39.313 39.000 0.573 0.000 1.081 182 F HN 0.086 nan 8.300 nan 0.000 0.558 183 F N 0.243 120.366 119.950 0.288 0.000 2.346 183 F HA -0.228 4.304 4.527 0.008 0.000 0.301 183 F C 1.681 177.571 175.800 0.150 0.000 1.070 183 F CA 0.920 59.028 58.000 0.180 0.000 1.407 183 F CB -0.307 38.783 39.000 0.150 0.000 1.072 183 F HN -0.135 nan 8.300 nan 0.000 0.543 184 K N -1.357 119.245 120.400 0.338 0.000 2.440 184 K HA 0.068 4.393 4.320 0.008 0.000 0.206 184 K C -0.089 176.625 176.600 0.190 0.000 1.025 184 K CA -0.223 56.186 56.287 0.203 0.000 1.135 184 K CB 0.016 32.590 32.500 0.124 0.000 0.856 184 K HN 0.136 nan 8.250 nan 0.000 0.502 185 H N -0.649 118.535 119.070 0.189 0.000 2.690 185 H HA 0.056 4.618 4.556 0.009 0.000 0.365 185 H C 1.034 176.446 175.328 0.139 0.000 1.142 185 H CA 0.484 56.655 56.048 0.205 0.000 1.417 185 H CB 1.062 31.036 29.762 0.354 0.000 1.446 185 H HN -0.012 nan 8.280 nan 0.000 0.599 186 S N 1.357 117.097 115.700 0.066 0.000 2.354 186 S HA -0.183 4.292 4.470 0.008 0.000 0.219 186 S C 0.874 175.615 174.600 0.235 0.000 1.035 186 S CA 1.134 59.401 58.200 0.113 0.000 1.037 186 S CB -0.331 62.873 63.200 0.007 0.000 0.956 186 S HN 0.678 nan 8.310 nan 0.000 0.428 187 S N 2.737 118.715 115.700 0.462 0.000 2.525 187 S HA 0.095 4.570 4.470 0.008 0.000 0.285 187 S C -1.813 172.882 174.600 0.157 0.000 1.283 187 S CA -1.363 56.999 58.200 0.271 0.000 1.072 187 S CB 0.711 64.165 63.200 0.423 0.000 0.867 187 S HN -0.018 nan 8.310 nan 0.000 0.492 188 P HA -0.063 nan 4.420 nan 0.000 0.216 188 P C 1.230 178.477 177.300 -0.088 0.000 1.150 188 P CA 1.002 64.094 63.100 -0.014 0.000 0.837 188 P CB 0.123 31.809 31.700 -0.024 0.000 0.786 189 K N -0.460 119.896 120.400 -0.073 0.000 2.103 189 K HA -0.113 4.212 4.320 0.008 0.000 0.207 189 K C 1.974 178.369 176.600 -0.340 0.000 1.048 189 K CA 1.238 57.402 56.287 -0.204 0.000 0.930 189 K CB -0.591 31.863 32.500 -0.076 0.000 0.716 189 K HN 0.046 nan 8.250 nan 0.000 0.444 190 I N 0.975 121.431 120.570 -0.190 0.000 2.233 190 I HA -0.251 3.924 4.170 0.008 0.000 0.243 190 I C 2.158 178.025 176.117 -0.417 0.000 1.093 190 I CA 1.126 62.220 61.300 -0.343 0.000 1.380 190 I CB -0.166 37.574 38.000 -0.434 0.000 1.067 190 I HN 0.180 nan 8.210 nan 0.000 0.413 191 R N -0.122 120.262 120.500 -0.194 0.000 2.237 191 R HA -0.054 4.292 4.340 0.008 0.000 0.219 191 R C 2.154 178.250 176.300 -0.340 0.000 1.080 191 R CA 1.221 57.212 56.100 -0.183 0.000 0.995 191 R CB -0.605 29.669 30.300 -0.043 0.000 0.875 191 R HN 0.159 nan 8.270 nan 0.000 0.462 192 S N 0.647 116.136 115.700 -0.351 0.000 2.345 192 S HA -0.127 4.348 4.470 0.008 0.000 0.219 192 S C 1.733 176.103 174.600 -0.383 0.000 1.031 192 S CA 0.620 58.601 58.200 -0.365 0.000 0.984 192 S CB -0.241 62.742 63.200 -0.361 0.000 0.874 192 S HN 0.465 nan 8.310 nan 0.000 0.451 193 H N 1.495 120.306 119.070 -0.432 0.000 2.321 193 H HA -0.098 4.463 4.556 0.008 0.000 0.295 193 H C 2.442 177.431 175.328 -0.566 0.000 1.102 193 H CA 1.598 57.329 56.048 -0.528 0.000 1.266 193 H CB -1.055 28.233 29.762 -0.790 0.000 1.363 193 H HN 0.522 nan 8.280 nan 0.000 0.492 194 A N 0.487 122.964 122.820 -0.572 0.000 1.902 194 A HA -0.111 4.214 4.320 0.008 0.000 0.217 194 A C 2.883 180.471 177.584 0.007 0.000 1.181 194 A CA 1.842 53.786 52.037 -0.155 0.000 0.623 194 A CB -0.761 18.336 19.000 0.161 0.000 0.818 194 A HN 0.244 nan 8.150 nan 0.000 0.443 195 V N -0.275 119.441 119.914 -0.330 0.000 2.453 195 V HA -0.163 3.962 4.120 0.008 0.000 0.247 195 V C 2.982 179.049 176.094 -0.045 0.000 1.048 195 V CA 1.641 63.795 62.300 -0.243 0.000 1.049 195 V CB -1.237 30.329 31.823 -0.428 0.000 0.672 195 V HN 0.597 nan 8.190 nan 0.000 0.457 196 A N -0.679 122.072 122.820 -0.115 0.000 1.902 196 A HA -0.239 4.086 4.320 0.008 0.000 0.217 196 A C 2.381 179.908 177.584 -0.096 0.000 1.181 196 A CA 2.202 54.190 52.037 -0.082 0.000 0.623 196 A CB -1.070 17.882 19.000 -0.080 0.000 0.818 196 A HN 0.583 nan 8.150 nan 0.000 0.443 197 C N -1.220 117.978 119.300 -0.170 0.000 2.436 197 C HA -0.073 4.392 4.460 0.008 0.000 0.277 197 C C 2.701 177.615 174.990 -0.126 0.000 1.241 197 C CA 1.090 59.928 59.018 -0.299 0.000 1.721 197 C CB -1.268 25.966 27.740 -0.842 0.000 2.043 197 C HN 0.459 nan 8.230 nan 0.000 0.472 198 V N 2.119 121.981 119.914 -0.088 0.000 2.594 198 V HA -0.179 3.947 4.120 0.008 0.000 0.253 198 V C 2.003 178.130 176.094 0.054 0.000 1.069 198 V CA 1.846 64.174 62.300 0.047 0.000 1.082 198 V CB -0.787 30.973 31.823 -0.106 0.000 0.680 198 V HN 0.536 nan 8.190 nan 0.000 0.469 199 N N 0.096 118.832 118.700 0.061 0.000 2.381 199 N HA -0.126 4.619 4.740 0.008 0.000 0.182 199 N C 1.842 177.344 175.510 -0.013 0.000 1.025 199 N CA 0.762 53.857 53.050 0.075 0.000 0.888 199 N CB -0.253 38.280 38.487 0.077 0.000 0.965 199 N HN 0.453 nan 8.380 nan 0.000 0.438 200 Q N -0.553 119.170 119.800 -0.128 0.000 2.291 200 Q HA 0.046 4.391 4.340 0.008 0.000 0.205 200 Q C 0.937 176.683 176.000 -0.423 0.000 0.970 200 Q CA 0.735 56.338 55.803 -0.335 0.000 0.876 200 Q CB -0.240 28.177 28.738 -0.535 0.000 0.935 200 Q HN 0.476 nan 8.270 nan 0.000 0.455 201 F N -0.851 119.069 119.950 -0.051 0.000 2.727 201 F HA 0.190 4.723 4.527 0.010 0.000 0.302 201 F C 1.745 177.524 175.800 -0.034 0.000 1.097 201 F CA -0.233 57.742 58.000 -0.043 0.000 1.330 201 F CB -0.091 38.877 39.000 -0.053 0.000 1.084 201 F HN -0.058 nan 8.300 nan 0.000 0.578 202 I N 0.200 120.834 120.570 0.107 0.000 2.110 202 I HA -0.279 3.896 4.170 0.008 0.000 0.236 202 I C 2.223 178.384 176.117 0.074 0.000 1.068 202 I CA 1.636 62.999 61.300 0.107 0.000 1.333 202 I CB -0.506 37.578 38.000 0.140 0.000 1.054 202 I HN 0.034 nan 8.210 nan 0.000 0.402 203 I N 1.079 121.671 120.570 0.038 0.000 2.179 203 I HA -0.270 3.905 4.170 0.008 0.000 0.242 203 I C 2.617 178.747 176.117 0.020 0.000 1.088 203 I CA 1.749 63.061 61.300 0.020 0.000 1.357 203 I CB -0.537 37.460 38.000 -0.006 0.000 1.051 203 I HN 0.315 nan 8.210 nan 0.000 0.409 204 S N 0.831 116.541 115.700 0.017 0.000 2.584 204 S HA -0.104 4.371 4.470 0.008 0.000 0.240 204 S C 1.077 175.705 174.600 0.047 0.000 0.975 204 S CA 0.217 58.431 58.200 0.024 0.000 0.949 204 S CB -0.477 62.734 63.200 0.019 0.000 0.761 204 S HN 0.445 nan 8.310 nan 0.000 0.536 205 R N 0.569 121.104 120.500 0.058 0.000 3.641 205 R HA -0.112 4.233 4.340 0.008 0.000 0.286 205 R C -0.661 175.679 176.300 0.067 0.000 1.153 205 R CA 0.831 56.967 56.100 0.060 0.000 0.775 205 R CB -2.997 27.329 30.300 0.043 0.000 1.215 205 R HN 0.475 nan 8.270 nan 0.000 0.474 206 T N 1.321 115.934 114.554 0.098 0.000 2.765 206 T HA -0.133 4.222 4.350 0.008 0.000 0.275 206 T C 1.594 176.324 174.700 0.050 0.000 1.007 206 T CA 0.289 62.449 62.100 0.101 0.000 1.175 206 T CB 0.791 69.775 68.868 0.193 0.000 0.993 206 T HN 0.270 nan 8.240 nan 0.000 0.510 207 Q N 2.357 122.177 119.800 0.033 0.000 2.096 207 Q HA -0.213 4.132 4.340 0.008 0.000 0.204 207 Q C 2.667 178.680 176.000 0.022 0.000 0.982 207 Q CA 1.663 57.481 55.803 0.025 0.000 0.850 207 Q CB -0.297 28.452 28.738 0.018 0.000 0.901 207 Q HN 0.910 nan 8.270 nan 0.000 0.422 208 A N 0.847 123.657 122.820 -0.017 0.000 1.892 208 A HA -0.215 4.110 4.320 0.008 0.000 0.218 208 A C 2.017 179.590 177.584 -0.019 0.000 1.188 208 A CA 1.481 53.494 52.037 -0.040 0.000 0.631 208 A CB -0.694 18.201 19.000 -0.176 0.000 0.822 208 A HN 0.375 nan 8.150 nan 0.000 0.447 209 L N -1.078 120.098 121.223 -0.078 0.000 2.093 209 L HA -0.093 4.253 4.340 0.008 0.000 0.208 209 L C 2.278 179.181 176.870 0.055 0.000 1.085 209 L CA 1.803 56.608 54.840 -0.059 0.000 0.755 209 L CB -0.472 41.533 42.059 -0.090 0.000 0.904 209 L HN 0.289 nan 8.230 nan 0.000 0.435 210 M N -0.935 118.700 119.600 0.059 0.000 2.213 210 M HA -0.133 4.352 4.480 0.008 0.000 0.263 210 M C 1.891 178.231 176.300 0.066 0.000 1.062 210 M CA 1.421 56.762 55.300 0.068 0.000 1.105 210 M CB -1.021 31.611 32.600 0.052 0.000 1.385 210 M HN 0.241 nan 8.290 nan 0.000 0.417 211 L N -1.333 119.938 121.223 0.081 0.000 2.653 211 L HA -0.010 4.335 4.340 0.008 0.000 0.232 211 L C 1.123 177.968 176.870 -0.042 0.000 1.169 211 L CA 0.082 54.942 54.840 0.033 0.000 0.951 211 L CB -0.336 41.742 42.059 0.031 0.000 1.181 211 L HN 0.352 nan 8.230 nan 0.000 0.460 212 H N -1.191 117.867 119.070 -0.020 0.000 3.182 212 H HA 0.195 4.756 4.556 0.008 0.000 0.254 212 H C 1.828 177.177 175.328 0.034 0.000 1.197 212 H CA 0.014 56.050 56.048 -0.020 0.000 1.061 212 H CB 0.848 30.570 29.762 -0.067 0.000 1.722 212 H HN 0.283 nan 8.280 nan 0.000 0.662 213 I N -0.215 120.437 120.570 0.137 0.000 2.068 213 I HA -0.293 3.882 4.170 0.008 0.000 0.238 213 I C 1.715 177.885 176.117 0.088 0.000 1.046 213 I CA 1.633 63.028 61.300 0.158 0.000 1.306 213 I CB -0.485 37.576 38.000 0.101 0.000 1.023 213 I HN -0.063 nan 8.210 nan 0.000 0.399 214 D N 0.838 121.253 120.400 0.025 0.000 2.158 214 D HA -0.185 4.460 4.640 0.008 0.000 0.197 214 D C 2.355 178.638 176.300 -0.029 0.000 0.995 214 D CA 1.859 55.849 54.000 -0.017 0.000 0.846 214 D CB -0.230 40.568 40.800 -0.003 0.000 0.941 214 D HN 0.432 nan 8.370 nan 0.000 0.456 215 S N -0.654 115.054 115.700 0.013 0.000 2.368 215 S HA -0.138 4.337 4.470 0.008 0.000 0.224 215 S C 1.721 176.342 174.600 0.035 0.000 1.029 215 S CA 0.360 58.571 58.200 0.018 0.000 0.988 215 S CB -0.325 62.905 63.200 0.049 0.000 0.838 215 S HN 0.154 nan 8.310 nan 0.000 0.462 216 F N 2.636 122.520 119.950 -0.111 0.000 2.051 216 F HA -0.014 4.517 4.527 0.007 0.000 0.296 216 F C 1.912 177.606 175.800 -0.176 0.000 1.122 216 F CA 1.361 59.279 58.000 -0.137 0.000 1.201 216 F CB -1.050 37.910 39.000 -0.067 0.000 0.978 216 F HN 0.210 nan 8.300 nan 0.000 0.472 217 I N 0.327 120.669 120.570 -0.380 0.000 2.151 217 I HA -0.354 3.821 4.170 0.008 0.000 0.243 217 I C 2.374 177.989 176.117 -0.836 0.000 1.080 217 I CA 1.972 62.813 61.300 -0.764 0.000 1.339 217 I CB -0.749 36.864 38.000 -0.645 0.000 1.039 217 I HN 0.235 nan 8.210 nan 0.000 0.409 218 E N 0.767 120.713 120.200 -0.424 0.000 2.097 218 E HA -0.233 4.122 4.350 0.008 0.000 0.196 218 E C 1.907 178.438 176.600 -0.116 0.000 1.000 218 E CA 1.339 57.614 56.400 -0.209 0.000 0.804 218 E CB -0.141 29.522 29.700 -0.062 0.000 0.740 218 E HN 0.488 nan 8.360 nan 0.000 0.454 219 N N 0.218 118.871 118.700 -0.079 0.000 2.331 219 N HA -0.067 4.678 4.740 0.008 0.000 0.180 219 N C 1.881 177.481 175.510 0.150 0.000 1.019 219 N CA 0.557 53.661 53.050 0.089 0.000 0.881 219 N CB 0.098 38.644 38.487 0.099 0.000 0.972 219 N HN 0.167 nan 8.380 nan 0.000 0.435 220 L N 0.032 121.202 121.223 -0.088 0.000 2.005 220 L HA -0.107 4.238 4.340 0.008 0.000 0.207 220 L C 1.996 178.817 176.870 -0.082 0.000 1.072 220 L CA 0.986 55.732 54.840 -0.157 0.000 0.744 220 L CB -0.472 41.300 42.059 -0.478 0.000 0.895 220 L HN -0.002 nan 8.230 nan 0.000 0.433 221 F N 0.433 120.264 119.950 -0.199 0.000 2.154 221 F HA -0.212 4.319 4.527 0.008 0.000 0.301 221 F C 2.531 178.236 175.800 -0.159 0.000 1.087 221 F CA 0.920 58.782 58.000 -0.230 0.000 1.274 221 F CB -1.325 37.553 39.000 -0.203 0.000 1.009 221 F HN 0.048 nan 8.300 nan 0.000 0.485 222 A N -1.280 121.606 122.820 0.109 0.000 2.235 222 A HA 0.125 4.450 4.320 0.008 0.000 0.208 222 A C 1.825 179.438 177.584 0.049 0.000 1.172 222 A CA 0.717 52.797 52.037 0.073 0.000 0.786 222 A CB -0.527 18.524 19.000 0.085 0.000 0.804 222 A HN 0.300 nan 8.150 nan 0.000 0.479 223 L N -1.665 119.575 121.223 0.028 0.000 2.672 223 L HA 0.356 4.701 4.340 0.008 0.000 0.236 223 L C 1.436 178.294 176.870 -0.021 0.000 1.092 223 L CA 0.674 55.517 54.840 0.005 0.000 0.887 223 L CB 0.094 42.143 42.059 -0.016 0.000 1.168 223 L HN 0.237 nan 8.230 nan 0.000 0.502 224 A N 0.135 122.904 122.820 -0.084 0.000 2.618 224 A HA 0.469 4.794 4.320 0.008 0.000 0.293 224 A C 1.254 178.834 177.584 -0.007 0.000 1.413 224 A CA 0.863 52.800 52.037 -0.167 0.000 1.074 224 A CB -1.203 17.352 19.000 -0.742 0.000 1.087 224 A HN 0.561 nan 8.150 nan 0.000 0.553 225 G N 2.004 110.857 108.800 0.088 0.000 2.870 225 G HA2 -0.093 3.872 3.960 0.008 0.000 0.216 225 G HA3 -0.093 3.872 3.960 0.008 0.000 0.216 225 G C -0.162 174.763 174.900 0.042 0.000 0.973 225 G CA -0.061 45.081 45.100 0.071 0.000 0.807 225 G HN 0.678 nan 8.290 nan 0.000 0.573 226 D N 0.404 120.824 120.400 0.033 0.000 2.443 226 D HA 0.432 5.077 4.640 0.008 0.000 0.239 226 D C 1.448 177.753 176.300 0.008 0.000 1.136 226 D CA 0.125 54.133 54.000 0.012 0.000 0.879 226 D CB 0.937 41.733 40.800 -0.007 0.000 1.195 226 D HN 0.193 nan 8.370 nan 0.000 0.443 227 E N 1.276 121.477 120.200 0.000 0.000 2.007 227 E HA -0.167 4.188 4.350 0.008 0.000 0.194 227 E C -0.024 176.566 176.600 -0.016 0.000 0.999 227 E CA 0.900 57.297 56.400 -0.006 0.000 0.811 227 E CB -0.001 29.694 29.700 -0.008 0.000 0.762 227 E HN 0.439 nan 8.360 nan 0.000 0.450 228 E N 0.716 120.901 120.200 -0.025 0.000 2.905 228 E HA -0.099 4.256 4.350 0.008 0.000 0.240 228 E C -2.020 174.554 176.600 -0.043 0.000 0.990 228 E CA -0.612 55.764 56.400 -0.040 0.000 0.954 228 E CB 0.682 30.349 29.700 -0.057 0.000 0.908 228 E HN 0.052 nan 8.360 nan 0.000 0.532 229 P HA -0.143 nan 4.420 nan 0.000 0.219 229 P C 0.773 178.041 177.300 -0.053 0.000 1.146 229 P CA 0.941 64.016 63.100 -0.041 0.000 0.808 229 P CB 0.303 31.980 31.700 -0.039 0.000 0.779 230 E N -0.238 119.919 120.200 -0.071 0.000 2.085 230 E HA -0.145 4.210 4.350 0.008 0.000 0.194 230 E C 1.826 178.362 176.600 -0.106 0.000 0.994 230 E CA 1.199 57.542 56.400 -0.095 0.000 0.801 230 E CB -1.097 28.527 29.700 -0.126 0.000 0.743 230 E HN -0.047 nan 8.360 nan 0.000 0.453 231 V N 0.416 120.266 119.914 -0.107 0.000 2.307 231 V HA -0.198 3.927 4.120 0.008 0.000 0.245 231 V C 2.432 178.483 176.094 -0.071 0.000 1.045 231 V CA 2.009 64.238 62.300 -0.118 0.000 1.024 231 V CB -0.472 31.282 31.823 -0.115 0.000 0.651 231 V HN 0.221 nan 8.190 nan 0.000 0.449 232 R N 0.065 120.547 120.500 -0.030 0.000 2.096 232 R HA -0.236 4.109 4.340 0.008 0.000 0.240 232 R C 2.489 178.791 176.300 0.003 0.000 1.139 232 R CA 2.057 58.168 56.100 0.019 0.000 0.952 232 R CB -0.404 29.903 30.300 0.012 0.000 0.854 232 R HN 0.451 nan 8.270 nan 0.000 0.436 233 K N 0.458 120.841 120.400 -0.028 0.000 2.032 233 K HA -0.185 4.140 4.320 0.008 0.000 0.209 233 K C 1.712 178.298 176.600 -0.023 0.000 1.048 233 K CA 1.830 58.100 56.287 -0.030 0.000 0.927 233 K CB -0.049 32.428 32.500 -0.038 0.000 0.712 233 K HN 0.092 nan 8.250 nan 0.000 0.441 234 N N 0.454 119.128 118.700 -0.043 0.000 2.166 234 N HA -0.132 4.613 4.740 0.008 0.000 0.186 234 N C 1.794 177.297 175.510 -0.012 0.000 1.019 234 N CA 1.162 54.187 53.050 -0.041 0.000 0.856 234 N CB -0.369 38.063 38.487 -0.092 0.000 0.993 234 N HN 0.020 nan 8.380 nan 0.000 0.426 235 V N 0.585 120.487 119.914 -0.019 0.000 2.332 235 V HA -0.277 3.848 4.120 0.008 0.000 0.248 235 V C 2.480 178.596 176.094 0.036 0.000 1.055 235 V CA 1.281 63.582 62.300 0.001 0.000 1.038 235 V CB -0.750 31.083 31.823 0.016 0.000 0.651 235 V HN 0.361 nan 8.190 nan 0.000 0.450 236 C N -0.418 118.911 119.300 0.049 0.000 2.432 236 C HA -0.145 4.320 4.460 0.008 0.000 0.277 236 C C 2.923 177.936 174.990 0.038 0.000 1.249 236 C CA 0.978 60.014 59.018 0.030 0.000 1.725 236 C CB -1.145 26.584 27.740 -0.020 0.000 2.028 236 C HN 0.495 nan 8.230 nan 0.000 0.477 237 R N 0.897 121.416 120.500 0.033 0.000 2.083 237 R HA -0.158 4.187 4.340 0.008 0.000 0.237 237 R C 2.419 178.760 176.300 0.069 0.000 1.137 237 R CA 1.759 57.885 56.100 0.044 0.000 0.951 237 R CB -0.564 29.753 30.300 0.028 0.000 0.851 237 R HN 0.571 nan 8.270 nan 0.000 0.434 238 A N 1.087 123.958 122.820 0.085 0.000 1.892 238 A HA -0.186 4.139 4.320 0.008 0.000 0.218 238 A C 2.177 179.805 177.584 0.074 0.000 1.188 238 A CA 1.427 53.544 52.037 0.132 0.000 0.631 238 A CB -0.649 18.439 19.000 0.147 0.000 0.822 238 A HN 0.224 nan 8.150 nan 0.000 0.447 239 L N -0.615 120.632 121.223 0.040 0.000 2.093 239 L HA -0.141 4.204 4.340 0.008 0.000 0.208 239 L C 2.526 179.496 176.870 0.167 0.000 1.085 239 L CA 0.902 55.788 54.840 0.076 0.000 0.755 239 L CB -0.514 41.586 42.059 0.068 0.000 0.904 239 L HN 0.264 nan 8.230 nan 0.000 0.435 240 V N -0.395 119.615 119.914 0.159 0.000 2.261 240 V HA -0.338 3.787 4.120 0.008 0.000 0.246 240 V C 2.479 178.602 176.094 0.048 0.000 1.047 240 V CA 2.005 64.374 62.300 0.115 0.000 1.015 240 V CB -0.441 31.430 31.823 0.081 0.000 0.642 240 V HN 0.353 nan 8.190 nan 0.000 0.446 241 M N -0.654 118.981 119.600 0.059 0.000 2.082 241 M HA -0.218 4.267 4.480 0.008 0.000 0.258 241 M C 2.154 178.490 176.300 0.060 0.000 1.069 241 M CA 2.065 57.396 55.300 0.053 0.000 1.102 241 M CB -0.550 32.094 32.600 0.074 0.000 1.336 241 M HN 0.236 nan 8.290 nan 0.000 0.404 242 L N -0.547 120.727 121.223 0.084 0.000 2.127 242 L HA -0.232 4.113 4.340 0.008 0.000 0.211 242 L C 2.310 179.210 176.870 0.050 0.000 1.089 242 L CA 0.413 55.301 54.840 0.081 0.000 0.757 242 L CB -0.602 41.499 42.059 0.070 0.000 0.899 242 L HN 0.290 nan 8.230 nan 0.000 0.434 243 L N -0.092 121.151 121.223 0.033 0.000 2.129 243 L HA -0.262 4.083 4.340 0.008 0.000 0.212 243 L C 2.281 179.136 176.870 -0.024 0.000 1.087 243 L CA 1.878 56.709 54.840 -0.015 0.000 0.757 243 L CB -0.434 41.559 42.059 -0.110 0.000 0.896 243 L HN 0.279 nan 8.230 nan 0.000 0.434 244 E N -2.406 117.786 120.200 -0.013 0.000 2.307 244 E HA -0.009 4.346 4.350 0.008 0.000 0.195 244 E C 2.058 178.662 176.600 0.008 0.000 0.975 244 E CA 0.389 56.782 56.400 -0.011 0.000 0.878 244 E CB 0.364 30.053 29.700 -0.018 0.000 0.845 244 E HN 0.284 nan 8.360 nan 0.000 0.488 245 V N 0.562 120.492 119.914 0.026 0.000 2.426 245 V HA 0.047 4.172 4.120 0.008 0.000 0.242 245 V C 0.958 177.078 176.094 0.042 0.000 1.036 245 V CA 0.907 63.230 62.300 0.037 0.000 1.044 245 V CB 0.127 31.983 31.823 0.056 0.000 0.688 245 V HN 0.061 nan 8.190 nan 0.000 0.462 246 R N -0.246 120.283 120.500 0.049 0.000 2.653 246 R HA 0.329 4.674 4.340 0.008 0.000 0.269 246 R C 0.624 176.953 176.300 0.048 0.000 1.603 246 R CA -0.278 55.853 56.100 0.051 0.000 1.671 246 R CB 0.662 31.002 30.300 0.066 0.000 1.300 246 R HN 0.299 nan 8.270 nan 0.000 0.668 247 M N 1.841 121.463 119.600 0.037 0.000 2.159 247 M HA -0.154 4.331 4.480 0.008 0.000 0.263 247 M C 1.507 177.836 176.300 0.050 0.000 1.063 247 M CA 2.013 57.335 55.300 0.036 0.000 1.110 247 M CB -0.099 32.513 32.600 0.019 0.000 1.374 247 M HN 0.339 nan 8.290 nan 0.000 0.411 248 D N -0.993 119.434 120.400 0.046 0.000 2.221 248 D HA -0.239 4.407 4.640 0.008 0.000 0.204 248 D C 1.527 177.868 176.300 0.068 0.000 0.982 248 D CA 1.053 55.083 54.000 0.050 0.000 0.857 248 D CB -0.452 40.372 40.800 0.040 0.000 0.934 248 D HN 0.379 nan 8.370 nan 0.000 0.475 249 R N -0.125 120.420 120.500 0.076 0.000 2.237 249 R HA 0.263 4.608 4.340 0.008 0.000 0.195 249 R C 2.540 178.929 176.300 0.149 0.000 0.956 249 R CA -0.088 56.071 56.100 0.098 0.000 1.029 249 R CB -0.065 30.275 30.300 0.067 0.000 0.972 249 R HN 0.317 nan 8.270 nan 0.000 0.493 250 L N 0.281 121.581 121.223 0.127 0.000 2.179 250 L HA -0.099 4.246 4.340 0.008 0.000 0.208 250 L C 2.161 179.156 176.870 0.208 0.000 1.096 250 L CA 0.318 55.263 54.840 0.175 0.000 0.779 250 L CB -0.388 41.750 42.059 0.131 0.000 0.922 250 L HN 0.059 nan 8.230 nan 0.000 0.443 251 L N 1.297 122.600 121.223 0.134 0.000 1.991 251 L HA -0.185 4.160 4.340 0.008 0.000 0.221 251 L C -0.379 176.542 176.870 0.085 0.000 1.079 251 L CA 2.413 57.307 54.840 0.090 0.000 0.778 251 L CB -1.757 40.340 42.059 0.063 0.000 0.893 251 L HN 0.120 nan 8.230 nan 0.000 0.437 252 P HA -0.111 nan 4.420 nan 0.000 0.226 252 P C 0.390 177.596 177.300 -0.156 0.000 1.146 252 P CA 1.498 64.575 63.100 -0.039 0.000 0.773 252 P CB -0.082 31.564 31.700 -0.089 0.000 0.772 253 H N -3.804 115.329 119.070 0.106 0.000 2.672 253 H HA 0.246 4.807 4.556 0.008 0.000 0.277 253 H C 1.608 176.972 175.328 0.060 0.000 1.074 253 H CA -0.224 55.881 56.048 0.095 0.000 1.173 253 H CB -0.085 29.797 29.762 0.199 0.000 1.558 253 H HN -0.107 nan 8.280 nan 0.000 0.539 254 M N 0.457 120.129 119.600 0.119 0.000 2.110 254 M HA -0.223 4.262 4.480 0.008 0.000 0.257 254 M C 1.692 177.978 176.300 -0.024 0.000 1.071 254 M CA 1.965 57.278 55.300 0.022 0.000 1.096 254 M CB -0.429 32.111 32.600 -0.101 0.000 1.300 254 M HN 0.416 nan 8.290 nan 0.000 0.411 255 H N -1.020 118.130 119.070 0.133 0.000 2.421 255 H HA -0.085 4.476 4.556 0.009 0.000 0.298 255 H C 2.012 177.392 175.328 0.087 0.000 1.087 255 H CA 1.468 57.610 56.048 0.157 0.000 1.330 255 H CB -0.657 29.239 29.762 0.223 0.000 1.388 255 H HN 0.496 nan 8.280 nan 0.000 0.526 256 N N 0.881 119.672 118.700 0.152 0.000 2.244 256 N HA -0.071 4.674 4.740 0.008 0.000 0.183 256 N C 2.060 177.544 175.510 -0.044 0.000 1.016 256 N CA 0.442 53.508 53.050 0.028 0.000 0.866 256 N CB 0.063 38.523 38.487 -0.045 0.000 0.980 256 N HN 0.324 nan 8.380 nan 0.000 0.430 257 I N 0.153 120.709 120.570 -0.023 0.000 2.193 257 I HA -0.213 3.962 4.170 0.008 0.000 0.240 257 I C 2.224 178.272 176.117 -0.114 0.000 1.084 257 I CA 0.531 61.801 61.300 -0.050 0.000 1.365 257 I CB -0.340 37.678 38.000 0.030 0.000 1.064 257 I HN -0.137 nan 8.210 nan 0.000 0.410 258 V N 0.926 120.787 119.914 -0.089 0.000 2.250 258 V HA -0.375 3.750 4.120 0.008 0.000 0.253 258 V C 2.370 178.477 176.094 0.021 0.000 1.065 258 V CA 2.282 64.543 62.300 -0.065 0.000 1.039 258 V CB -0.745 30.961 31.823 -0.196 0.000 0.647 258 V HN 0.451 nan 8.190 nan 0.000 0.446 259 E N -1.504 118.719 120.200 0.040 0.000 2.160 259 E HA -0.253 4.102 4.350 0.008 0.000 0.195 259 E C 2.022 178.670 176.600 0.081 0.000 0.991 259 E CA 1.593 58.050 56.400 0.094 0.000 0.810 259 E CB -0.218 29.552 29.700 0.117 0.000 0.742 259 E HN 0.792 nan 8.360 nan 0.000 0.466 260 Y N 0.477 120.726 120.300 -0.086 0.000 2.184 260 Y HA -0.167 4.388 4.550 0.008 0.000 0.290 260 Y C 2.022 177.843 175.900 -0.132 0.000 1.129 260 Y CA 1.300 59.332 58.100 -0.112 0.000 1.144 260 Y CB -0.011 38.357 38.460 -0.152 0.000 0.995 260 Y HN -0.035 nan 8.280 nan 0.000 0.513 261 M N -0.668 118.745 119.600 -0.312 0.000 2.159 261 M HA -0.180 4.305 4.480 0.008 0.000 0.263 261 M C 2.124 178.401 176.300 -0.039 0.000 1.063 261 M CA 1.201 56.207 55.300 -0.491 0.000 1.110 261 M CB -1.191 30.729 32.600 -1.133 0.000 1.374 261 M HN 0.386 nan 8.290 nan 0.000 0.411 262 L N 0.659 122.019 121.223 0.228 0.000 2.046 262 L HA -0.173 4.172 4.340 0.008 0.000 0.208 262 L C 2.474 179.385 176.870 0.068 0.000 1.077 262 L CA 1.816 56.829 54.840 0.289 0.000 0.747 262 L CB -0.892 41.274 42.059 0.179 0.000 0.896 262 L HN 0.292 nan 8.230 nan 0.000 0.432 263 Q N -0.878 118.899 119.800 -0.039 0.000 2.167 263 Q HA -0.100 4.245 4.340 0.008 0.000 0.202 263 Q C 2.282 178.188 176.000 -0.157 0.000 0.970 263 Q CA 0.852 56.600 55.803 -0.091 0.000 0.855 263 Q CB -0.231 28.449 28.738 -0.097 0.000 0.911 263 Q HN 0.345 nan 8.270 nan 0.000 0.438 264 R N -0.219 120.119 120.500 -0.270 0.000 2.119 264 R HA 0.049 4.394 4.340 0.008 0.000 0.222 264 R C 2.031 178.261 176.300 -0.117 0.000 1.088 264 R CA 0.920 56.849 56.100 -0.286 0.000 0.984 264 R CB -0.912 29.097 30.300 -0.484 0.000 0.884 264 R HN 0.234 nan 8.270 nan 0.000 0.447 265 T N 1.958 116.509 114.554 -0.005 0.000 2.962 265 T HA -0.101 4.254 4.350 0.008 0.000 0.270 265 T C 1.153 175.872 174.700 0.031 0.000 1.088 265 T CA 1.004 63.164 62.100 0.101 0.000 1.127 265 T CB -0.026 69.074 68.868 0.386 0.000 0.883 265 T HN 0.463 nan 8.240 nan 0.000 0.493 266 Q N 0.976 120.772 119.800 -0.007 0.000 2.206 266 Q HA 0.280 4.625 4.340 0.008 0.000 0.265 266 Q C -0.412 175.562 176.000 -0.043 0.000 0.866 266 Q CA -0.395 55.391 55.803 -0.029 0.000 1.073 266 Q CB 0.228 28.948 28.738 -0.031 0.000 1.165 266 Q HN 0.305 nan 8.270 nan 0.000 0.465 267 D N 1.606 121.974 120.400 -0.054 0.000 2.400 267 D HA -0.102 4.543 4.640 0.008 0.000 0.238 267 D C 0.853 177.125 176.300 -0.047 0.000 1.157 267 D CA 0.338 54.301 54.000 -0.061 0.000 0.889 267 D CB 1.365 42.119 40.800 -0.076 0.000 1.199 267 D HN 0.264 nan 8.370 nan 0.000 0.436 268 Q N 2.051 121.825 119.800 -0.042 0.000 2.045 268 Q HA -0.218 4.127 4.340 0.008 0.000 0.206 268 Q C -0.037 175.942 176.000 -0.035 0.000 0.991 268 Q CA 1.529 57.311 55.803 -0.035 0.000 0.851 268 Q CB -0.101 28.619 28.738 -0.030 0.000 0.911 268 Q HN 0.454 nan 8.270 nan 0.000 0.418 269 D N -0.023 120.355 120.400 -0.037 0.000 2.343 269 D HA -0.024 4.621 4.640 0.008 0.000 0.255 269 D C 0.506 176.784 176.300 -0.035 0.000 1.187 269 D CA 0.094 54.073 54.000 -0.035 0.000 0.875 269 D CB 0.766 41.545 40.800 -0.035 0.000 1.136 269 D HN 0.190 nan 8.370 nan 0.000 0.469 270 E N 3.004 123.184 120.200 -0.032 0.000 2.130 270 E HA -0.220 4.135 4.350 0.008 0.000 0.196 270 E C 1.281 177.863 176.600 -0.030 0.000 0.998 270 E CA 0.791 57.172 56.400 -0.033 0.000 0.806 270 E CB 0.098 29.780 29.700 -0.030 0.000 0.738 270 E HN 0.599 nan 8.360 nan 0.000 0.459 271 N N 0.108 118.793 118.700 -0.026 0.000 2.080 271 N HA -0.123 4.622 4.740 0.008 0.000 0.189 271 N C 2.056 177.553 175.510 -0.023 0.000 1.036 271 N CA 1.417 54.455 53.050 -0.019 0.000 0.846 271 N CB 0.089 38.564 38.487 -0.020 0.000 1.015 271 N HN -0.022 nan 8.380 nan 0.000 0.423 272 V N 2.101 121.995 119.914 -0.034 0.000 2.324 272 V HA -0.276 3.849 4.120 0.008 0.000 0.250 272 V C 2.537 178.601 176.094 -0.050 0.000 1.060 272 V CA 2.000 64.272 62.300 -0.047 0.000 1.042 272 V CB -1.085 30.701 31.823 -0.060 0.000 0.650 272 V HN 0.319 nan 8.190 nan 0.000 0.450 273 A N 0.088 122.883 122.820 -0.043 0.000 1.865 273 A HA -0.233 4.092 4.320 0.008 0.000 0.217 273 A C 2.201 179.777 177.584 -0.012 0.000 1.191 273 A CA 2.305 54.323 52.037 -0.032 0.000 0.623 273 A CB -0.684 18.297 19.000 -0.032 0.000 0.826 273 A HN 0.466 nan 8.150 nan 0.000 0.444 274 L N -0.325 120.889 121.223 -0.015 0.000 2.046 274 L HA -0.145 4.200 4.340 0.008 0.000 0.208 274 L C 2.197 179.090 176.870 0.038 0.000 1.077 274 L CA 2.306 57.144 54.840 -0.002 0.000 0.747 274 L CB -0.681 41.373 42.059 -0.008 0.000 0.896 274 L HN 0.370 nan 8.230 nan 0.000 0.432 275 E N 0.061 120.274 120.200 0.022 0.000 2.051 275 E HA -0.169 4.186 4.350 0.008 0.000 0.192 275 E C 2.238 178.834 176.600 -0.008 0.000 0.991 275 E CA 1.379 57.793 56.400 0.023 0.000 0.799 275 E CB -0.614 29.088 29.700 0.004 0.000 0.748 275 E HN 0.600 nan 8.360 nan 0.000 0.449 276 A N 0.956 123.741 122.820 -0.058 0.000 1.917 276 A HA -0.245 4.080 4.320 0.008 0.000 0.219 276 A C 2.598 180.095 177.584 -0.144 0.000 1.182 276 A CA 1.749 53.699 52.037 -0.144 0.000 0.633 276 A CB -1.195 17.711 19.000 -0.156 0.000 0.819 276 A HN 0.432 nan 8.150 nan 0.000 0.448 277 C N -0.750 118.563 119.300 0.022 0.000 2.425 277 C HA -0.068 4.397 4.460 0.008 0.000 0.277 277 C C 2.561 177.632 174.990 0.134 0.000 1.280 277 C CA 1.482 60.608 59.018 0.180 0.000 1.744 277 C CB -1.209 26.636 27.740 0.175 0.000 1.989 277 C HN 0.727 nan 8.230 nan 0.000 0.491 278 E N -0.524 119.739 120.200 0.106 0.000 2.267 278 E HA -0.222 4.133 4.350 0.008 0.000 0.197 278 E C 1.674 178.300 176.600 0.044 0.000 0.998 278 E CA 1.175 57.657 56.400 0.138 0.000 0.830 278 E CB -0.477 29.311 29.700 0.146 0.000 0.751 278 E HN 0.756 nan 8.360 nan 0.000 0.491 279 F N -0.868 118.928 119.950 -0.256 0.000 2.126 279 F HA -0.182 4.351 4.527 0.011 0.000 0.299 279 F C 1.313 176.929 175.800 -0.307 0.000 1.096 279 F CA 1.773 59.535 58.000 -0.396 0.000 1.255 279 F CB -0.309 38.259 39.000 -0.719 0.000 0.997 279 F HN 0.115 nan 8.300 nan 0.000 0.479 280 W N 0.110 121.506 121.300 0.160 0.000 2.388 280 W HA -0.089 4.573 4.660 0.004 0.000 0.294 280 W C 2.361 178.875 176.519 -0.008 0.000 1.212 280 W CA 0.538 57.924 57.345 0.067 0.000 1.271 280 W CB -0.803 28.725 29.460 0.114 0.000 1.126 280 W HN 0.008 nan 8.180 nan 0.000 0.535 281 L N 0.152 121.500 121.223 0.208 0.000 1.989 281 L HA -0.250 4.095 4.340 0.008 0.000 0.211 281 L C 2.462 179.348 176.870 0.027 0.000 1.071 281 L CA 1.949 56.870 54.840 0.136 0.000 0.749 281 L CB -0.947 41.217 42.059 0.175 0.000 0.890 281 L HN 0.014 nan 8.230 nan 0.000 0.431 282 T N -0.091 114.426 114.554 -0.062 0.000 2.708 282 T HA -0.214 4.141 4.350 0.008 0.000 0.266 282 T C 1.710 176.305 174.700 -0.174 0.000 1.037 282 T CA 1.416 63.441 62.100 -0.125 0.000 1.146 282 T CB -0.331 68.432 68.868 -0.174 0.000 0.865 282 T HN 0.155 nan 8.240 nan 0.000 0.435 283 L N 1.714 122.756 121.223 -0.301 0.000 2.083 283 L HA 0.091 4.436 4.340 0.008 0.000 0.209 283 L C 2.587 179.409 176.870 -0.080 0.000 1.083 283 L CA 1.805 56.485 54.840 -0.266 0.000 0.752 283 L CB -1.091 40.724 42.059 -0.406 0.000 0.899 283 L HN 0.231 nan 8.230 nan 0.000 0.433 284 A N -1.030 121.785 122.820 -0.008 0.000 2.024 284 A HA -0.156 4.169 4.320 0.008 0.000 0.220 284 A C 1.882 179.466 177.584 -0.000 0.000 1.164 284 A CA 1.613 53.672 52.037 0.037 0.000 0.643 284 A CB -0.493 18.559 19.000 0.087 0.000 0.806 284 A HN 0.566 nan 8.150 nan 0.000 0.451 285 E N 0.416 120.606 120.200 -0.018 0.000 2.403 285 E HA 0.059 4.414 4.350 0.008 0.000 0.188 285 E C -0.321 176.259 176.600 -0.034 0.000 1.056 285 E CA 0.142 56.529 56.400 -0.022 0.000 0.892 285 E CB 0.121 29.810 29.700 -0.018 0.000 1.049 285 E HN 0.629 nan 8.360 nan 0.000 0.465 286 Q N 0.072 119.847 119.800 -0.041 0.000 2.312 286 Q HA 0.252 4.597 4.340 0.008 0.000 0.263 286 Q C -1.889 174.090 176.000 -0.034 0.000 0.995 286 Q CA -2.131 53.649 55.803 -0.039 0.000 0.853 286 Q CB 1.506 30.214 28.738 -0.050 0.000 1.300 286 Q HN -0.158 nan 8.270 nan 0.000 0.448 287 P HA -0.109 nan 4.420 nan 0.000 0.218 287 P C 0.882 178.167 177.300 -0.025 0.000 1.148 287 P CA 1.222 64.305 63.100 -0.028 0.000 0.822 287 P CB 0.171 31.860 31.700 -0.019 0.000 0.784 288 I N -1.585 118.977 120.570 -0.014 0.000 3.001 288 I HA -0.169 4.006 4.170 0.008 0.000 0.268 288 I C 2.588 178.710 176.117 0.008 0.000 1.267 288 I CA 0.529 61.830 61.300 0.001 0.000 1.472 288 I CB -1.066 36.937 38.000 0.006 0.000 1.089 288 I HN 0.095 nan 8.210 nan 0.000 0.468 289 C N 1.727 121.022 119.300 -0.007 0.000 2.393 289 C HA -0.278 4.188 4.460 0.008 0.000 0.276 289 C C 2.956 177.965 174.990 0.031 0.000 1.215 289 C CA 1.783 60.809 59.018 0.015 0.000 1.743 289 C CB -0.813 26.922 27.740 -0.009 0.000 2.044 289 C HN 0.554 nan 8.230 nan 0.000 0.464 290 K N 0.185 120.539 120.400 -0.078 0.000 2.044 290 K HA -0.194 4.131 4.320 0.008 0.000 0.210 290 K C 1.736 178.388 176.600 0.085 0.000 1.049 290 K CA 2.424 58.606 56.287 -0.175 0.000 0.927 290 K CB -0.334 32.007 32.500 -0.265 0.000 0.713 290 K HN 0.660 nan 8.250 nan 0.000 0.443 291 D N -0.072 120.377 120.400 0.082 0.000 2.123 291 D HA -0.121 4.524 4.640 0.008 0.000 0.200 291 D C 2.027 178.443 176.300 0.192 0.000 0.976 291 D CA 1.083 55.161 54.000 0.130 0.000 0.831 291 D CB -0.096 40.759 40.800 0.091 0.000 0.974 291 D HN 0.092 nan 8.370 nan 0.000 0.469 292 V N 1.402 121.422 119.914 0.177 0.000 2.343 292 V HA -0.179 3.946 4.120 0.008 0.000 0.247 292 V C 2.525 178.830 176.094 0.351 0.000 1.051 292 V CA 1.179 63.602 62.300 0.205 0.000 1.036 292 V CB -0.300 31.567 31.823 0.073 0.000 0.654 292 V HN 0.160 nan 8.190 nan 0.000 0.451 293 L N -0.957 120.469 121.223 0.339 0.000 2.416 293 L HA 0.008 4.353 4.340 0.008 0.000 0.216 293 L C 2.348 179.371 176.870 0.255 0.000 1.098 293 L CA 0.197 55.263 54.840 0.377 0.000 0.840 293 L CB -0.140 42.121 42.059 0.338 0.000 0.981 293 L HN 0.168 nan 8.230 nan 0.000 0.462 294 V N 1.171 121.232 119.914 0.246 0.000 2.277 294 V HA -0.410 3.715 4.120 0.008 0.000 0.255 294 V C 2.623 178.685 176.094 -0.052 0.000 1.074 294 V CA 2.567 64.906 62.300 0.064 0.000 1.058 294 V CB -0.951 30.968 31.823 0.159 0.000 0.656 294 V HN 0.612 nan 8.190 nan 0.000 0.449 295 R N -0.544 119.944 120.500 -0.021 0.000 2.148 295 R HA -0.120 4.225 4.340 0.008 0.000 0.227 295 R C 1.885 178.013 176.300 -0.286 0.000 1.103 295 R CA 1.687 57.685 56.100 -0.170 0.000 0.983 295 R CB -0.634 29.519 30.300 -0.244 0.000 0.874 295 R HN 0.635 nan 8.270 nan 0.000 0.451 296 H N 0.544 119.593 119.070 -0.035 0.000 2.592 296 H HA 0.199 4.760 4.556 0.009 0.000 0.265 296 H C 2.145 177.349 175.328 -0.206 0.000 0.955 296 H CA 0.101 56.107 56.048 -0.069 0.000 1.175 296 H CB 0.340 30.110 29.762 0.014 0.000 1.433 296 H HN 0.120 nan 8.280 nan 0.000 0.537 297 L N 1.043 122.121 121.223 -0.241 0.000 2.013 297 L HA -0.156 4.189 4.340 0.008 0.000 0.212 297 L C -0.417 176.169 176.870 -0.473 0.000 1.073 297 L CA 1.476 56.012 54.840 -0.506 0.000 0.753 297 L CB -1.663 39.842 42.059 -0.922 0.000 0.890 297 L HN 0.197 nan 8.230 nan 0.000 0.432 298 P HA -0.189 nan 4.420 nan 0.000 0.217 298 P C 1.410 178.656 177.300 -0.090 0.000 1.148 298 P CA 1.402 64.440 63.100 -0.103 0.000 0.828 298 P CB 0.048 31.736 31.700 -0.020 0.000 0.783 299 K N -1.753 118.583 120.400 -0.107 0.000 2.244 299 K HA 0.109 4.434 4.320 0.008 0.000 0.200 299 K C 1.822 178.327 176.600 -0.158 0.000 1.052 299 K CA 0.254 56.488 56.287 -0.089 0.000 0.980 299 K CB -0.907 31.575 32.500 -0.031 0.000 0.838 299 K HN 0.084 nan 8.250 nan 0.000 0.481 300 L N 1.753 122.836 121.223 -0.234 0.000 1.976 300 L HA -0.124 4.221 4.340 0.008 0.000 0.209 300 L C 2.044 178.716 176.870 -0.329 0.000 1.071 300 L CA 1.500 56.101 54.840 -0.399 0.000 0.746 300 L CB -0.671 41.089 42.059 -0.499 0.000 0.890 300 L HN -0.054 nan 8.230 nan 0.000 0.432 301 I N 0.516 120.931 120.570 -0.258 0.000 2.113 301 I HA -0.247 3.928 4.170 0.008 0.000 0.242 301 I C -0.558 175.473 176.117 -0.144 0.000 1.064 301 I CA 2.250 63.440 61.300 -0.184 0.000 1.320 301 I CB -1.808 36.110 38.000 -0.137 0.000 1.028 301 I HN 0.303 nan 8.210 nan 0.000 0.406 302 P HA -0.128 nan 4.420 nan 0.000 0.218 302 P C 2.069 179.300 177.300 -0.114 0.000 1.148 302 P CA 1.405 64.445 63.100 -0.100 0.000 0.822 302 P CB -0.052 31.601 31.700 -0.079 0.000 0.784 303 V N -0.132 119.697 119.914 -0.141 0.000 2.379 303 V HA -0.186 3.939 4.120 0.008 0.000 0.245 303 V C 2.761 178.772 176.094 -0.137 0.000 1.044 303 V CA 1.429 63.647 62.300 -0.135 0.000 1.036 303 V CB -1.092 30.639 31.823 -0.153 0.000 0.664 303 V HN 0.012 nan 8.190 nan 0.000 0.453 304 L N -0.613 120.504 121.223 -0.177 0.000 2.027 304 L HA -0.131 4.214 4.340 0.008 0.000 0.206 304 L C 2.475 179.275 176.870 -0.116 0.000 1.074 304 L CA 1.129 55.882 54.840 -0.145 0.000 0.745 304 L CB -0.612 41.348 42.059 -0.164 0.000 0.898 304 L HN 0.175 nan 8.230 nan 0.000 0.433 305 V N 0.267 120.113 119.914 -0.114 0.000 2.407 305 V HA -0.294 3.831 4.120 0.008 0.000 0.248 305 V C 2.198 178.222 176.094 -0.117 0.000 1.055 305 V CA 2.148 64.385 62.300 -0.106 0.000 1.049 305 V CB -0.763 31.003 31.823 -0.095 0.000 0.662 305 V HN 0.533 nan 8.190 nan 0.000 0.455 306 N N 0.899 119.531 118.700 -0.113 0.000 2.244 306 N HA -0.080 4.665 4.740 0.008 0.000 0.183 306 N C 1.726 177.166 175.510 -0.116 0.000 1.016 306 N CA 1.372 54.353 53.050 -0.114 0.000 0.866 306 N CB -0.331 38.096 38.487 -0.100 0.000 0.980 306 N HN 0.396 nan 8.380 nan 0.000 0.430 307 G N -0.589 108.144 108.800 -0.110 0.000 2.650 307 G HA2 -0.060 3.905 3.960 0.008 0.000 0.214 307 G HA3 -0.060 3.905 3.960 0.008 0.000 0.214 307 G C 1.204 176.020 174.900 -0.139 0.000 1.136 307 G CA 0.094 45.129 45.100 -0.109 0.000 0.789 307 G HN 0.318 nan 8.290 nan 0.000 0.536 308 M N 0.049 119.557 119.600 -0.153 0.000 2.561 308 M HA 0.187 4.672 4.480 0.008 0.000 0.238 308 M C 0.580 176.731 176.300 -0.247 0.000 1.131 308 M CA 0.329 55.513 55.300 -0.192 0.000 1.046 308 M CB 0.285 32.787 32.600 -0.164 0.000 1.532 308 M HN -0.065 nan 8.290 nan 0.000 0.497 309 K N 0.472 120.746 120.400 -0.210 0.000 2.326 309 K HA 0.099 4.424 4.320 0.008 0.000 0.275 309 K C -0.895 175.592 176.600 -0.189 0.000 1.018 309 K CA -0.271 55.884 56.287 -0.221 0.000 0.962 309 K CB 0.479 32.871 32.500 -0.181 0.000 0.953 309 K HN -0.089 nan 8.250 nan 0.000 0.475 310 Y N 1.396 121.615 120.300 -0.134 0.000 2.620 310 Y HA -0.091 4.464 4.550 0.007 0.000 0.330 310 Y C 1.293 177.116 175.900 -0.129 0.000 1.186 310 Y CA 0.077 58.112 58.100 -0.110 0.000 1.467 310 Y CB 0.286 38.699 38.460 -0.078 0.000 1.262 310 Y HN 0.580 nan 8.280 nan 0.000 0.550 311 S N 1.257 117.005 115.700 0.080 0.000 2.624 311 S HA 0.082 4.558 4.470 0.008 0.000 0.263 311 S C 0.776 175.375 174.600 -0.002 0.000 1.287 311 S CA -0.619 57.583 58.200 0.004 0.000 0.990 311 S CB 0.885 64.081 63.200 -0.008 0.000 0.950 311 S HN 0.642 nan 8.310 nan 0.000 0.561 312 D N 0.835 121.219 120.400 -0.027 0.000 2.117 312 D HA -0.081 4.564 4.640 0.008 0.000 0.197 312 D C 1.880 178.171 176.300 -0.014 0.000 0.987 312 D CA 1.330 55.314 54.000 -0.027 0.000 0.829 312 D CB -0.406 40.376 40.800 -0.029 0.000 0.961 312 D HN 0.580 nan 8.370 nan 0.000 0.460 313 I N 1.298 121.861 120.570 -0.013 0.000 2.163 313 I HA -0.263 3.912 4.170 0.008 0.000 0.243 313 I C 1.986 178.095 176.117 -0.014 0.000 1.085 313 I CA 1.080 62.373 61.300 -0.011 0.000 1.347 313 I CB -0.282 37.711 38.000 -0.011 0.000 1.044 313 I HN -0.127 nan 8.210 nan 0.000 0.408 314 D N 1.293 121.691 120.400 -0.004 0.000 2.160 314 D HA -0.221 4.424 4.640 0.008 0.000 0.189 314 D C 2.153 178.405 176.300 -0.080 0.000 1.003 314 D CA 1.669 55.665 54.000 -0.006 0.000 0.846 314 D CB -0.456 40.398 40.800 0.090 0.000 0.949 314 D HN 0.321 nan 8.370 nan 0.000 0.446 315 I N 0.689 121.203 120.570 -0.093 0.000 2.151 315 I HA -0.279 3.896 4.170 0.008 0.000 0.243 315 I C 2.520 178.606 176.117 -0.052 0.000 1.080 315 I CA 0.855 62.096 61.300 -0.099 0.000 1.339 315 I CB -0.256 37.760 38.000 0.026 0.000 1.039 315 I HN 0.025 nan 8.210 nan 0.000 0.409 316 I N 0.455 121.011 120.570 -0.024 0.000 2.127 316 I HA -0.332 3.843 4.170 0.008 0.000 0.241 316 I C 2.449 178.549 176.117 -0.030 0.000 1.075 316 I CA 1.692 62.983 61.300 -0.016 0.000 1.334 316 I CB -0.428 37.567 38.000 -0.009 0.000 1.040 316 I HN 0.220 nan 8.210 nan 0.000 0.405 317 L N -0.038 121.165 121.223 -0.034 0.000 2.261 317 L HA -0.212 4.133 4.340 0.008 0.000 0.216 317 L C 2.000 178.844 176.870 -0.045 0.000 1.114 317 L CA 1.058 55.878 54.840 -0.033 0.000 0.777 317 L CB -0.497 41.546 42.059 -0.027 0.000 0.910 317 L HN 0.310 nan 8.230 nan 0.000 0.440 318 L N -2.548 118.634 121.223 -0.069 0.000 2.985 318 L HA 0.387 4.732 4.340 0.008 0.000 0.177 318 L C 0.557 177.382 176.870 -0.076 0.000 1.387 318 L CA -0.260 54.532 54.840 -0.079 0.000 0.982 318 L CB -0.873 41.117 42.059 -0.115 0.000 1.376 318 L HN -0.131 nan 8.230 nan 0.000 0.603 371 S N 0.488 116.203 115.700 0.024 0.000 2.558 371 S HA 0.040 4.515 4.470 0.008 0.000 0.287 371 S C 0.467 175.107 174.600 0.068 0.000 1.321 371 S CA 0.588 58.814 58.200 0.044 0.000 1.048 371 S CB 0.224 63.451 63.200 0.044 0.000 0.844 371 S HN 0.703 nan 8.310 nan 0.000 0.512 372 D N 2.205 122.663 120.400 0.097 0.000 2.219 372 D HA 0.036 4.681 4.640 0.008 0.000 0.205 372 D C -0.097 176.372 176.300 0.282 0.000 0.970 372 D CA 0.897 54.979 54.000 0.138 0.000 0.851 372 D CB 0.163 41.027 40.800 0.107 0.000 0.943 372 D HN 0.532 nan 8.370 nan 0.000 0.488 373 W N 1.196 122.485 121.300 -0.017 0.000 3.042 373 W HA 0.278 4.943 4.660 0.009 0.000 0.337 373 W C -1.375 175.137 176.519 -0.011 0.000 1.086 373 W CA -0.730 56.606 57.345 -0.016 0.000 1.236 373 W CB 1.472 30.922 29.460 -0.016 0.000 1.381 373 W HN -0.086 nan 8.180 nan 0.000 0.472 374 N N 2.305 120.750 118.700 -0.426 0.000 3.344 374 N HA 0.220 4.965 4.740 0.008 0.000 0.296 374 N C -0.255 174.974 175.510 -0.468 0.000 1.571 374 N CA -0.716 52.141 53.050 -0.322 0.000 0.844 374 N CB 0.390 38.783 38.487 -0.156 0.000 1.718 374 N HN 0.252 nan 8.380 nan 0.000 0.589 375 L N 0.243 121.304 121.223 -0.271 0.000 2.046 375 L HA 0.114 4.459 4.340 0.008 0.000 0.208 375 L C 2.467 179.179 176.870 -0.263 0.000 1.077 375 L CA 1.843 56.544 54.840 -0.231 0.000 0.747 375 L CB -0.650 41.330 42.059 -0.132 0.000 0.896 375 L HN 0.787 nan 8.230 nan 0.000 0.432 376 R N -0.493 119.854 120.500 -0.254 0.000 2.062 376 R HA -0.150 4.196 4.340 0.008 0.000 0.231 376 R C 2.271 178.380 176.300 -0.318 0.000 1.136 376 R CA 1.582 57.529 56.100 -0.255 0.000 0.948 376 R CB -0.163 29.993 30.300 -0.239 0.000 0.845 376 R HN 0.320 nan 8.270 nan 0.000 0.430 377 K N -0.004 120.146 120.400 -0.417 0.000 2.097 377 K HA -0.177 4.148 4.320 0.008 0.000 0.206 377 K C 2.286 178.460 176.600 -0.709 0.000 1.049 377 K CA 1.359 57.342 56.287 -0.506 0.000 0.933 377 K CB -0.421 31.772 32.500 -0.511 0.000 0.717 377 K HN 0.305 nan 8.250 nan 0.000 0.442 378 C N 0.971 119.711 119.300 -0.934 0.000 2.462 378 C HA -0.086 4.379 4.460 0.008 0.000 0.278 378 C C 2.895 177.782 174.990 -0.172 0.000 1.253 378 C CA 1.187 59.827 59.018 -0.631 0.000 1.713 378 C CB -0.758 26.686 27.740 -0.493 0.000 2.049 378 C HN 0.433 nan 8.230 nan 0.000 0.477 379 S N 1.044 116.649 115.700 -0.159 0.000 2.356 379 S HA -0.125 4.350 4.470 0.008 0.000 0.223 379 S C 2.195 176.765 174.600 -0.050 0.000 1.032 379 S CA 1.499 59.661 58.200 -0.063 0.000 1.005 379 S CB -0.736 62.409 63.200 -0.091 0.000 0.867 379 S HN 0.818 nan 8.310 nan 0.000 0.449 380 A N 1.683 124.447 122.820 -0.094 0.000 1.948 380 A HA -0.004 4.321 4.320 0.008 0.000 0.220 380 A C 2.352 179.946 177.584 0.017 0.000 1.177 380 A CA 1.899 53.905 52.037 -0.051 0.000 0.636 380 A CB -1.123 17.816 19.000 -0.103 0.000 0.815 380 A HN 0.537 nan 8.150 nan 0.000 0.449 381 A N -0.226 122.612 122.820 0.030 0.000 1.873 381 A HA 0.187 4.513 4.320 0.008 0.000 0.215 381 A C 2.549 180.212 177.584 0.132 0.000 1.186 381 A CA 2.106 54.221 52.037 0.130 0.000 0.616 381 A CB -1.142 18.023 19.000 0.276 0.000 0.823 381 A HN 1.110 nan 8.150 nan 0.000 0.442 382 A N -0.447 122.450 122.820 0.129 0.000 1.883 382 A HA -0.121 4.204 4.320 0.008 0.000 0.217 382 A C 2.159 179.805 177.584 0.103 0.000 1.186 382 A CA 1.906 54.028 52.037 0.143 0.000 0.624 382 A CB -0.714 18.396 19.000 0.184 0.000 0.822 382 A HN 0.729 nan 8.150 nan 0.000 0.444 383 L N 0.104 121.366 121.223 0.065 0.000 2.083 383 L HA -0.152 4.193 4.340 0.008 0.000 0.209 383 L C 2.011 178.929 176.870 0.080 0.000 1.083 383 L CA 2.545 57.416 54.840 0.050 0.000 0.752 383 L CB -0.590 41.480 42.059 0.018 0.000 0.899 383 L HN 0.493 nan 8.230 nan 0.000 0.433 384 D N -0.874 119.585 120.400 0.098 0.000 2.097 384 D HA -0.162 4.483 4.640 0.008 0.000 0.195 384 D C 2.045 178.407 176.300 0.102 0.000 0.989 384 D CA 1.742 55.810 54.000 0.115 0.000 0.827 384 D CB 0.189 41.072 40.800 0.139 0.000 0.966 384 D HN 0.273 nan 8.370 nan 0.000 0.456 385 V N 0.990 120.965 119.914 0.102 0.000 2.379 385 V HA -0.181 3.944 4.120 0.008 0.000 0.245 385 V C 2.809 178.960 176.094 0.094 0.000 1.044 385 V CA 0.903 63.257 62.300 0.089 0.000 1.036 385 V CB -0.445 31.431 31.823 0.089 0.000 0.664 385 V HN 0.213 nan 8.190 nan 0.000 0.453 386 L N 0.315 121.611 121.223 0.122 0.000 2.131 386 L HA -0.159 4.186 4.340 0.008 0.000 0.210 386 L C 2.685 179.681 176.870 0.210 0.000 1.092 386 L CA 1.442 56.392 54.840 0.183 0.000 0.759 386 L CB -0.715 41.450 42.059 0.176 0.000 0.903 386 L HN 0.366 nan 8.230 nan 0.000 0.435 387 A N -0.098 122.806 122.820 0.140 0.000 1.930 387 A HA -0.180 4.145 4.320 0.008 0.000 0.217 387 A C 2.052 179.696 177.584 0.100 0.000 1.175 387 A CA 1.561 53.672 52.037 0.123 0.000 0.627 387 A CB -0.471 18.585 19.000 0.092 0.000 0.815 387 A HN 0.444 nan 8.150 nan 0.000 0.443 388 N N -0.071 118.673 118.700 0.074 0.000 2.396 388 N HA -0.068 4.677 4.740 0.008 0.000 0.180 388 N C 1.629 177.146 175.510 0.011 0.000 1.028 388 N CA 1.311 54.385 53.050 0.040 0.000 0.893 388 N CB 0.010 38.517 38.487 0.033 0.000 0.967 388 N HN 0.323 nan 8.380 nan 0.000 0.440 389 V N 0.068 119.981 119.914 -0.003 0.000 2.300 389 V HA -0.146 3.979 4.120 0.008 0.000 0.241 389 V C 1.518 177.503 176.094 -0.182 0.000 1.034 389 V CA 1.291 63.512 62.300 -0.131 0.000 1.021 389 V CB -0.626 31.060 31.823 -0.229 0.000 0.662 389 V HN 0.177 nan 8.190 nan 0.000 0.458 390 Y N 0.024 120.342 120.300 0.031 0.000 2.516 390 Y HA 0.060 4.615 4.550 0.008 0.000 0.291 390 Y C 1.762 177.682 175.900 0.033 0.000 1.131 390 Y CA 0.186 58.308 58.100 0.036 0.000 1.281 390 Y CB -0.100 38.386 38.460 0.044 0.000 1.013 390 Y HN 0.184 nan 8.280 nan 0.000 0.554 391 R N -0.244 120.344 120.500 0.146 0.000 3.772 391 R HA -0.336 4.009 4.340 0.008 0.000 0.480 391 R C 0.770 177.132 176.300 0.102 0.000 0.241 391 R CA 1.543 57.699 56.100 0.093 0.000 1.508 391 R CB -1.505 28.827 30.300 0.053 0.000 0.956 391 R HN 0.201 nan 8.270 nan 0.000 0.583 392 D N 1.366 121.812 120.400 0.076 0.000 2.263 392 D HA -0.063 4.582 4.640 0.008 0.000 0.208 392 D C 1.589 177.938 176.300 0.080 0.000 0.971 392 D CA 1.346 55.386 54.000 0.066 0.000 0.867 392 D CB -0.255 40.572 40.800 0.046 0.000 0.929 392 D HN 0.409 nan 8.370 nan 0.000 0.492 393 E N -0.187 120.082 120.200 0.114 0.000 2.472 393 E HA -0.110 4.245 4.350 0.008 0.000 0.200 393 E C 1.681 178.355 176.600 0.123 0.000 1.046 393 E CA -0.002 56.474 56.400 0.126 0.000 0.871 393 E CB 0.086 29.900 29.700 0.190 0.000 0.806 393 E HN 0.182 nan 8.360 nan 0.000 0.533 394 L N 0.478 121.777 121.223 0.127 0.000 2.341 394 L HA -0.037 4.308 4.340 0.008 0.000 0.214 394 L C 1.818 178.730 176.870 0.070 0.000 1.115 394 L CA 0.944 55.839 54.840 0.091 0.000 0.820 394 L CB 0.046 42.165 42.059 0.100 0.000 0.944 394 L HN 0.106 nan 8.230 nan 0.000 0.452 395 L N -0.006 121.242 121.223 0.042 0.000 2.046 395 L HA -0.137 4.208 4.340 0.008 0.000 0.208 395 L C -0.223 176.614 176.870 -0.056 0.000 1.077 395 L CA 1.103 55.946 54.840 0.005 0.000 0.747 395 L CB -1.989 40.087 42.059 0.029 0.000 0.896 395 L HN 0.237 nan 8.230 nan 0.000 0.432 396 P HA -0.173 nan 4.420 nan 0.000 0.220 396 P C 1.172 178.267 177.300 -0.342 0.000 1.144 396 P CA 1.435 64.389 63.100 -0.244 0.000 0.800 396 P CB -0.101 31.394 31.700 -0.342 0.000 0.772 397 H N -2.857 116.169 119.070 -0.075 0.000 2.592 397 H HA 0.208 4.768 4.556 0.008 0.000 0.265 397 H C 1.641 176.918 175.328 -0.085 0.000 0.955 397 H CA 0.361 56.355 56.048 -0.090 0.000 1.175 397 H CB 0.312 30.000 29.762 -0.124 0.000 1.433 397 H HN 0.165 nan 8.280 nan 0.000 0.537 398 I N 0.008 120.583 120.570 0.009 0.000 3.194 398 I HA -0.036 4.139 4.170 0.008 0.000 0.271 398 I C 2.059 178.140 176.117 -0.061 0.000 1.150 398 I CA 0.425 61.713 61.300 -0.021 0.000 1.440 398 I CB 0.090 38.084 38.000 -0.010 0.000 1.276 398 I HN -0.030 nan 8.210 nan 0.000 0.457 399 L N 1.924 123.091 121.223 -0.093 0.000 2.012 399 L HA -0.118 4.227 4.340 0.008 0.000 0.210 399 L C -0.446 176.352 176.870 -0.120 0.000 1.073 399 L CA 1.477 56.227 54.840 -0.151 0.000 0.748 399 L CB -2.140 39.776 42.059 -0.238 0.000 0.891 399 L HN 0.224 nan 8.230 nan 0.000 0.431 400 P HA -0.190 nan 4.420 nan 0.000 0.219 400 P C 1.767 179.042 177.300 -0.042 0.000 1.146 400 P CA 1.326 64.388 63.100 -0.062 0.000 0.808 400 P CB 0.139 31.805 31.700 -0.057 0.000 0.779 401 L N -1.320 119.874 121.223 -0.047 0.000 2.162 401 L HA 0.002 4.347 4.340 0.008 0.000 0.205 401 L C 2.394 179.235 176.870 -0.049 0.000 1.086 401 L CA 1.015 55.830 54.840 -0.042 0.000 0.778 401 L CB -1.328 40.703 42.059 -0.047 0.000 0.928 401 L HN -0.167 nan 8.230 nan 0.000 0.446 402 L N -0.470 120.713 121.223 -0.066 0.000 2.017 402 L HA -0.204 4.141 4.340 0.008 0.000 0.208 402 L C 2.420 179.246 176.870 -0.074 0.000 1.073 402 L CA 1.699 56.488 54.840 -0.086 0.000 0.745 402 L CB -0.840 41.157 42.059 -0.104 0.000 0.894 402 L HN 0.110 nan 8.230 nan 0.000 0.432 403 K N -0.061 120.325 120.400 -0.022 0.000 2.089 403 K HA -0.253 4.072 4.320 0.008 0.000 0.210 403 K C 2.100 178.798 176.600 0.163 0.000 1.048 403 K CA 1.774 58.125 56.287 0.106 0.000 0.926 403 K CB -0.384 32.156 32.500 0.065 0.000 0.714 403 K HN 0.563 nan 8.250 nan 0.000 0.448 404 E N -0.031 120.218 120.200 0.080 0.000 2.072 404 E HA -0.115 4.240 4.350 0.008 0.000 0.191 404 E C 1.809 178.478 176.600 0.115 0.000 0.985 404 E CA 0.956 57.424 56.400 0.113 0.000 0.801 404 E CB -0.040 29.703 29.700 0.071 0.000 0.750 404 E HN 0.206 nan 8.360 nan 0.000 0.452 405 L N 0.397 121.621 121.223 0.003 0.000 2.044 405 L HA -0.105 4.240 4.340 0.008 0.000 0.205 405 L C 2.586 179.410 176.870 -0.077 0.000 1.075 405 L CA 0.689 55.498 54.840 -0.051 0.000 0.747 405 L CB -0.353 41.645 42.059 -0.103 0.000 0.903 405 L HN 0.221 nan 8.230 nan 0.000 0.435 406 L N -1.022 120.051 121.223 -0.250 0.000 2.131 406 L HA -0.169 4.177 4.340 0.008 0.000 0.210 406 L C 1.295 177.845 176.870 -0.533 0.000 1.092 406 L CA 1.332 55.872 54.840 -0.499 0.000 0.759 406 L CB -0.210 41.305 42.059 -0.906 0.000 0.903 406 L HN 0.218 nan 8.230 nan 0.000 0.435 407 F N -2.849 117.135 119.950 0.056 0.000 2.708 407 F HA 0.225 4.758 4.527 0.010 0.000 0.300 407 F C 1.001 176.868 175.800 0.111 0.000 1.118 407 F CA -0.584 57.449 58.000 0.056 0.000 1.307 407 F CB -0.360 38.614 39.000 -0.044 0.000 0.986 407 F HN 0.002 nan 8.300 nan 0.000 0.522 408 H N 1.635 120.781 119.070 0.125 0.000 2.629 408 H HA 0.049 4.610 4.556 0.009 0.000 0.357 408 H C 1.404 176.788 175.328 0.093 0.000 1.121 408 H CA 0.283 56.381 56.048 0.083 0.000 1.406 408 H CB 0.811 30.550 29.762 -0.039 0.000 1.456 408 H HN 0.375 nan 8.280 nan 0.000 0.579 409 H N 1.970 120.989 119.070 -0.085 0.000 2.502 409 H HA 0.104 4.665 4.556 0.009 0.000 0.283 409 H C -0.418 175.024 175.328 0.190 0.000 1.015 409 H CA 0.157 56.233 56.048 0.046 0.000 1.298 409 H CB 0.488 30.218 29.762 -0.053 0.000 1.411 409 H HN 0.488 nan 8.280 nan 0.000 0.556 410 E N 1.706 121.898 120.200 -0.013 0.000 2.174 410 E HA 0.018 4.373 4.350 0.008 0.000 0.282 410 E C 0.787 177.413 176.600 0.044 0.000 0.992 410 E CA -0.741 55.664 56.400 0.009 0.000 0.803 410 E CB 0.788 30.407 29.700 -0.136 0.000 1.090 410 E HN 0.542 nan 8.360 nan 0.000 0.396 411 W N 3.895 125.216 121.300 0.036 0.000 2.402 411 W HA -0.132 4.532 4.660 0.006 0.000 0.286 411 W C 0.738 177.270 176.519 0.021 0.000 1.221 411 W CA 0.443 57.809 57.345 0.036 0.000 1.257 411 W CB -0.680 28.805 29.460 0.041 0.000 1.120 411 W HN 0.261 nan 8.180 nan 0.000 0.551 412 V N 2.203 121.594 119.914 -0.873 0.000 2.332 412 V HA -0.333 3.792 4.120 0.008 0.000 0.248 412 V C 2.638 178.533 176.094 -0.331 0.000 1.055 412 V CA 2.259 64.101 62.300 -0.763 0.000 1.038 412 V CB -1.171 30.150 31.823 -0.836 0.000 0.651 412 V HN 0.101 nan 8.190 nan 0.000 0.450 413 V N -0.193 119.523 119.914 -0.330 0.000 2.307 413 V HA -0.281 3.844 4.120 0.008 0.000 0.245 413 V C 2.383 178.374 176.094 -0.171 0.000 1.045 413 V CA 2.341 64.446 62.300 -0.326 0.000 1.024 413 V CB -0.736 30.694 31.823 -0.656 0.000 0.651 413 V HN 0.527 nan 8.190 nan 0.000 0.449 414 K N 0.628 120.999 120.400 -0.048 0.000 2.032 414 K HA -0.296 4.029 4.320 0.008 0.000 0.209 414 K C 2.227 178.847 176.600 0.034 0.000 1.048 414 K CA 2.242 58.550 56.287 0.035 0.000 0.927 414 K CB -0.161 32.419 32.500 0.133 0.000 0.712 414 K HN 0.638 nan 8.250 nan 0.000 0.441 415 E N 0.613 120.875 120.200 0.103 0.000 2.150 415 E HA -0.155 4.200 4.350 0.008 0.000 0.193 415 E C 1.729 178.330 176.600 0.002 0.000 0.985 415 E CA 1.904 58.377 56.400 0.121 0.000 0.814 415 E CB -0.407 29.481 29.700 0.314 0.000 0.752 415 E HN 0.307 nan 8.360 nan 0.000 0.466 416 S N -0.114 115.541 115.700 -0.076 0.000 2.368 416 S HA -0.055 4.420 4.470 0.008 0.000 0.225 416 S C 2.253 176.793 174.600 -0.100 0.000 1.030 416 S CA 1.090 59.205 58.200 -0.141 0.000 0.999 416 S CB -1.196 61.896 63.200 -0.181 0.000 0.844 416 S HN 0.437 nan 8.310 nan 0.000 0.459 417 G N 1.638 110.384 108.800 -0.090 0.000 2.422 417 G HA2 -0.042 3.923 3.960 0.008 0.000 0.218 417 G HA3 -0.042 3.923 3.960 0.008 0.000 0.218 417 G C 1.456 176.316 174.900 -0.066 0.000 1.146 417 G CA 0.936 45.983 45.100 -0.088 0.000 0.769 417 G HN 0.585 nan 8.290 nan 0.000 0.547 418 I N -0.006 120.540 120.570 -0.040 0.000 2.315 418 I HA -0.100 4.075 4.170 0.008 0.000 0.248 418 I C 2.553 178.694 176.117 0.040 0.000 1.117 418 I CA 0.374 61.663 61.300 -0.018 0.000 1.404 418 I CB -0.190 37.815 38.000 0.009 0.000 1.071 418 I HN 0.158 nan 8.210 nan 0.000 0.419 419 L N 0.718 121.975 121.223 0.056 0.000 1.989 419 L HA -0.187 4.158 4.340 0.008 0.000 0.211 419 L C 2.470 179.416 176.870 0.127 0.000 1.071 419 L CA 1.868 56.780 54.840 0.119 0.000 0.749 419 L CB -0.601 41.442 42.059 -0.027 0.000 0.890 419 L HN -0.016 nan 8.230 nan 0.000 0.431 420 V N -0.401 119.530 119.914 0.027 0.000 2.324 420 V HA -0.303 3.822 4.120 0.008 0.000 0.250 420 V C 2.531 178.647 176.094 0.037 0.000 1.060 420 V CA 1.849 64.160 62.300 0.019 0.000 1.042 420 V CB -0.850 30.955 31.823 -0.031 0.000 0.650 420 V HN 0.543 nan 8.190 nan 0.000 0.450 421 L N 1.343 122.564 121.223 -0.003 0.000 2.046 421 L HA -0.035 4.310 4.340 0.008 0.000 0.208 421 L C 2.315 179.160 176.870 -0.041 0.000 1.077 421 L CA 2.465 57.278 54.840 -0.044 0.000 0.747 421 L CB -1.382 40.594 42.059 -0.139 0.000 0.896 421 L HN 0.268 nan 8.230 nan 0.000 0.432 422 G N -1.264 107.514 108.800 -0.036 0.000 2.402 422 G HA2 -0.189 3.776 3.960 0.008 0.000 0.216 422 G HA3 -0.189 3.776 3.960 0.008 0.000 0.216 422 G C 1.611 176.525 174.900 0.024 0.000 1.162 422 G CA 0.740 45.722 45.100 -0.196 0.000 0.777 422 G HN 0.630 nan 8.290 nan 0.000 0.539 423 A N 1.343 124.330 122.820 0.278 0.000 1.908 423 A HA -0.027 4.298 4.320 0.008 0.000 0.218 423 A C 2.329 180.016 177.584 0.171 0.000 1.181 423 A CA 1.568 53.780 52.037 0.292 0.000 0.627 423 A CB -0.463 18.662 19.000 0.208 0.000 0.818 423 A HN 0.795 nan 8.150 nan 0.000 0.445 424 I N -3.653 116.993 120.570 0.126 0.000 3.684 424 I HA 0.370 4.545 4.170 0.008 0.000 0.304 424 I C 1.944 178.114 176.117 0.088 0.000 1.278 424 I CA 0.543 61.902 61.300 0.098 0.000 1.272 424 I CB -0.292 37.754 38.000 0.076 0.000 1.029 424 I HN 0.149 nan 8.210 nan 0.000 0.458 425 A N 2.215 125.105 122.820 0.117 0.000 1.841 425 A HA -0.275 4.050 4.320 0.008 0.000 0.216 425 A C 2.428 179.971 177.584 -0.068 0.000 1.199 425 A CA 2.225 54.297 52.037 0.058 0.000 0.621 425 A CB -0.870 18.256 19.000 0.208 0.000 0.835 425 A HN 0.638 nan 8.150 nan 0.000 0.445 426 E N -0.546 119.643 120.200 -0.018 0.000 2.070 426 E HA -0.155 4.201 4.350 0.008 0.000 0.197 426 E C 2.029 178.618 176.600 -0.019 0.000 1.004 426 E CA 1.438 57.823 56.400 -0.025 0.000 0.805 426 E CB -0.511 29.197 29.700 0.014 0.000 0.744 426 E HN 0.501 nan 8.360 nan 0.000 0.451 427 G N 0.230 109.037 108.800 0.012 0.000 2.414 427 G HA2 -0.225 3.740 3.960 0.008 0.000 0.215 427 G HA3 -0.225 3.740 3.960 0.008 0.000 0.215 427 G C 1.316 176.224 174.900 0.014 0.000 1.188 427 G CA 0.947 46.061 45.100 0.024 0.000 0.783 427 G HN 0.430 nan 8.290 nan 0.000 0.537 428 C N 0.901 120.206 119.300 0.009 0.000 2.492 428 C HA 0.434 4.899 4.460 0.008 0.000 0.317 428 C C 2.058 177.019 174.990 -0.047 0.000 1.347 428 C CA -0.624 58.397 59.018 0.006 0.000 1.759 428 C CB -0.994 26.767 27.740 0.034 0.000 2.127 428 C HN 0.448 nan 8.230 nan 0.000 0.579 429 M N 1.927 121.469 119.600 -0.095 0.000 2.115 429 M HA -0.188 4.297 4.480 0.008 0.000 0.258 429 M C 2.317 178.534 176.300 -0.139 0.000 1.071 429 M CA 2.130 57.321 55.300 -0.183 0.000 1.100 429 M CB -0.634 31.867 32.600 -0.165 0.000 1.292 429 M HN 0.263 nan 8.290 nan 0.000 0.415 430 Q N -0.245 119.512 119.800 -0.073 0.000 2.096 430 Q HA -0.109 4.236 4.340 0.008 0.000 0.208 430 Q C 2.003 177.971 176.000 -0.054 0.000 0.993 430 Q CA 2.295 58.069 55.803 -0.048 0.000 0.862 430 Q CB -1.249 27.478 28.738 -0.018 0.000 0.915 430 Q HN 0.751 nan 8.270 nan 0.000 0.416 431 G N -1.287 107.499 108.800 -0.024 0.000 2.534 431 G HA2 -0.156 3.809 3.960 0.008 0.000 0.217 431 G HA3 -0.156 3.809 3.960 0.008 0.000 0.217 431 G C 1.091 176.021 174.900 0.051 0.000 1.128 431 G CA 0.474 45.582 45.100 0.013 0.000 0.784 431 G HN 0.186 nan 8.290 nan 0.000 0.542 432 M N 0.175 119.774 119.600 -0.002 0.000 2.435 432 M HA 0.281 4.766 4.480 0.008 0.000 0.265 432 M C 2.421 178.644 176.300 -0.129 0.000 1.104 432 M CA 0.139 55.465 55.300 0.044 0.000 1.140 432 M CB -0.628 31.965 32.600 -0.011 0.000 1.372 432 M HN 0.208 nan 8.290 nan 0.000 0.456 433 I N 0.939 121.349 120.570 -0.267 0.000 2.145 433 I HA -0.291 3.884 4.170 0.008 0.000 0.244 433 I C -0.598 175.285 176.117 -0.390 0.000 1.075 433 I CA 1.784 62.827 61.300 -0.429 0.000 1.332 433 I CB -1.890 35.968 38.000 -0.237 0.000 1.033 433 I HN 0.166 nan 8.210 nan 0.000 0.410 434 P HA -0.181 nan 4.420 nan 0.000 0.219 434 P C 0.875 177.852 177.300 -0.538 0.000 1.146 434 P CA 1.644 64.447 63.100 -0.496 0.000 0.808 434 P CB -0.120 31.137 31.700 -0.738 0.000 0.779 435 Y N -2.332 117.888 120.300 -0.134 0.000 2.458 435 Y HA 0.192 4.747 4.550 0.007 0.000 0.256 435 Y C 2.019 177.823 175.900 -0.159 0.000 1.159 435 Y CA -0.268 57.775 58.100 -0.097 0.000 1.261 435 Y CB -0.548 37.880 38.460 -0.052 0.000 1.119 435 Y HN -0.151 nan 8.280 nan 0.000 0.524 436 L N 0.693 121.749 121.223 -0.278 0.000 2.056 436 L HA -0.095 4.250 4.340 0.008 0.000 0.207 436 L C -0.514 176.152 176.870 -0.340 0.000 1.078 436 L CA 1.045 55.562 54.840 -0.538 0.000 0.749 436 L CB -1.560 39.596 42.059 -1.505 0.000 0.901 436 L HN 0.137 nan 8.230 nan 0.000 0.433 437 P HA -0.203 nan 4.420 nan 0.000 0.220 437 P C 0.998 178.431 177.300 0.220 0.000 1.144 437 P CA 1.387 64.603 63.100 0.193 0.000 0.800 437 P CB 0.004 31.867 31.700 0.272 0.000 0.772 438 E N -1.470 118.816 120.200 0.143 0.000 2.290 438 E HA 0.067 4.422 4.350 0.008 0.000 0.197 438 E C 1.828 178.545 176.600 0.195 0.000 0.948 438 E CA 0.094 56.598 56.400 0.174 0.000 0.895 438 E CB -0.924 28.864 29.700 0.147 0.000 0.865 438 E HN 0.169 nan 8.360 nan 0.000 0.486 439 L N 0.830 122.135 121.223 0.136 0.000 2.095 439 L HA 0.001 4.346 4.340 0.008 0.000 0.204 439 L C 2.502 179.438 176.870 0.110 0.000 1.080 439 L CA 0.785 55.702 54.840 0.128 0.000 0.759 439 L CB -0.239 41.842 42.059 0.037 0.000 0.914 439 L HN 0.138 nan 8.230 nan 0.000 0.439 440 I N 0.104 120.710 120.570 0.060 0.000 2.142 440 I HA -0.195 3.980 4.170 0.008 0.000 0.240 440 I C -0.323 175.892 176.117 0.163 0.000 1.078 440 I CA 1.457 62.803 61.300 0.077 0.000 1.343 440 I CB -1.208 36.827 38.000 0.059 0.000 1.046 440 I HN 0.152 nan 8.210 nan 0.000 0.405 441 P HA -0.247 nan 4.420 nan 0.000 0.217 441 P C 1.562 178.979 177.300 0.195 0.000 1.151 441 P CA 1.633 64.877 63.100 0.240 0.000 0.849 441 P CB -0.316 31.546 31.700 0.270 0.000 0.787 442 H N -0.558 118.591 119.070 0.132 0.000 2.428 442 H HA 0.006 4.567 4.556 0.008 0.000 0.296 442 H C 1.820 177.190 175.328 0.069 0.000 1.062 442 H CA 0.921 57.045 56.048 0.127 0.000 1.350 442 H CB -0.347 29.531 29.762 0.194 0.000 1.403 442 H HN 0.084 nan 8.280 nan 0.000 0.533 443 L N 0.323 121.513 121.223 -0.054 0.000 2.044 443 L HA -0.151 4.194 4.340 0.008 0.000 0.205 443 L C 2.743 179.559 176.870 -0.090 0.000 1.075 443 L CA 0.819 55.582 54.840 -0.129 0.000 0.747 443 L CB -0.294 41.716 42.059 -0.080 0.000 0.903 443 L HN 0.220 nan 8.230 nan 0.000 0.435 444 I N -0.631 119.934 120.570 -0.010 0.000 2.248 444 I HA -0.329 3.846 4.170 0.008 0.000 0.248 444 I C 2.693 178.804 176.117 -0.011 0.000 1.107 444 I CA 1.040 62.350 61.300 0.015 0.000 1.373 444 I CB -0.326 37.715 38.000 0.068 0.000 1.055 444 I HN 0.382 nan 8.210 nan 0.000 0.418 445 Q N 0.051 119.829 119.800 -0.036 0.000 2.046 445 Q HA -0.177 4.168 4.340 0.008 0.000 0.200 445 Q C 2.525 178.474 176.000 -0.086 0.000 0.975 445 Q CA 1.700 57.475 55.803 -0.046 0.000 0.836 445 Q CB -0.732 27.992 28.738 -0.024 0.000 0.896 445 Q HN 0.568 nan 8.270 nan 0.000 0.428 446 C N 0.505 119.698 119.300 -0.179 0.000 2.410 446 C HA -0.099 4.366 4.460 0.008 0.000 0.281 446 C C 2.534 177.488 174.990 -0.062 0.000 1.318 446 C CA 0.043 58.978 59.018 -0.138 0.000 1.776 446 C CB -1.184 26.441 27.740 -0.192 0.000 1.942 446 C HN 0.365 nan 8.230 nan 0.000 0.508 447 L N 1.361 122.556 121.223 -0.047 0.000 2.447 447 L HA -0.095 4.250 4.340 0.008 0.000 0.225 447 L C 2.055 178.918 176.870 -0.012 0.000 1.148 447 L CA 1.691 56.522 54.840 -0.016 0.000 0.808 447 L CB -0.600 41.456 42.059 -0.004 0.000 0.928 447 L HN 0.283 nan 8.230 nan 0.000 0.448 448 S N -2.144 113.546 115.700 -0.017 0.000 2.578 448 S HA 0.090 4.565 4.470 0.008 0.000 0.231 448 S C 0.520 175.110 174.600 -0.016 0.000 0.994 448 S CA -0.599 57.594 58.200 -0.011 0.000 0.956 448 S CB -0.092 63.107 63.200 -0.003 0.000 0.870 448 S HN 0.398 nan 8.310 nan 0.000 0.494 449 D N 2.840 123.226 120.400 -0.023 0.000 2.478 449 D HA -0.051 4.594 4.640 0.008 0.000 0.234 449 D C 1.073 177.345 176.300 -0.047 0.000 1.154 449 D CA 0.424 54.409 54.000 -0.025 0.000 0.874 449 D CB 0.833 41.619 40.800 -0.023 0.000 1.198 449 D HN 0.333 nan 8.370 nan 0.000 0.455 450 K N 2.178 122.547 120.400 -0.052 0.000 2.211 450 K HA -0.056 4.269 4.320 0.008 0.000 0.203 450 K C 0.465 176.979 176.600 -0.143 0.000 1.050 450 K CA 0.679 56.921 56.287 -0.076 0.000 0.945 450 K CB 0.145 32.610 32.500 -0.058 0.000 0.732 450 K HN 0.078 nan 8.250 nan 0.000 0.451 451 K N 1.202 121.476 120.400 -0.210 0.000 2.276 451 K HA 0.225 4.550 4.320 0.008 0.000 0.285 451 K C 0.743 177.177 176.600 -0.277 0.000 1.062 451 K CA 0.202 56.261 56.287 -0.381 0.000 0.918 451 K CB 1.541 33.626 32.500 -0.692 0.000 1.055 451 K HN 0.154 nan 8.250 nan 0.000 0.477 452 A N 4.252 126.921 122.820 -0.253 0.000 1.883 452 A HA -0.165 4.160 4.320 0.008 0.000 0.217 452 A C 1.960 179.475 177.584 -0.115 0.000 1.186 452 A CA 1.428 53.375 52.037 -0.150 0.000 0.624 452 A CB -0.526 18.396 19.000 -0.129 0.000 0.822 452 A HN 0.717 nan 8.150 nan 0.000 0.444 453 L N -0.367 120.754 121.223 -0.169 0.000 2.261 453 L HA -0.164 4.181 4.340 0.008 0.000 0.216 453 L C 2.316 179.245 176.870 0.099 0.000 1.114 453 L CA 0.742 55.575 54.840 -0.011 0.000 0.777 453 L CB -0.376 41.698 42.059 0.025 0.000 0.910 453 L HN 0.278 nan 8.230 nan 0.000 0.440 454 V N -0.878 119.049 119.914 0.022 0.000 2.488 454 V HA -0.162 3.963 4.120 0.008 0.000 0.246 454 V C 2.531 178.650 176.094 0.041 0.000 1.046 454 V CA 1.247 63.593 62.300 0.076 0.000 1.053 454 V CB -0.468 31.392 31.823 0.062 0.000 0.679 454 V HN 0.361 nan 8.190 nan 0.000 0.458 455 R N 0.897 121.398 120.500 0.002 0.000 2.073 455 R HA -0.156 4.189 4.340 0.008 0.000 0.234 455 R C 2.653 178.979 176.300 0.042 0.000 1.134 455 R CA 1.934 58.040 56.100 0.009 0.000 0.952 455 R CB -0.455 29.838 30.300 -0.011 0.000 0.850 455 R HN 0.697 nan 8.270 nan 0.000 0.433 456 S N 0.724 116.454 115.700 0.051 0.000 2.368 456 S HA -0.161 4.314 4.470 0.008 0.000 0.225 456 S C 1.937 176.614 174.600 0.128 0.000 1.030 456 S CA 1.030 59.278 58.200 0.079 0.000 0.999 456 S CB -0.362 62.874 63.200 0.061 0.000 0.844 456 S HN 0.207 nan 8.310 nan 0.000 0.459 457 I N 2.646 123.299 120.570 0.139 0.000 2.394 457 I HA -0.095 4.080 4.170 0.008 0.000 0.251 457 I C 2.151 178.392 176.117 0.206 0.000 1.136 457 I CA 1.237 62.653 61.300 0.193 0.000 1.425 457 I CB -0.785 37.312 38.000 0.163 0.000 1.079 457 I HN 0.258 nan 8.210 nan 0.000 0.425 458 T N -0.427 114.197 114.554 0.116 0.000 2.777 458 T HA -0.186 4.169 4.350 0.008 0.000 0.266 458 T C 2.102 176.839 174.700 0.062 0.000 1.040 458 T CA 1.631 63.765 62.100 0.056 0.000 1.141 458 T CB -0.776 68.099 68.868 0.011 0.000 0.868 458 T HN 0.423 nan 8.240 nan 0.000 0.444 459 C N 0.259 119.619 119.300 0.100 0.000 2.393 459 C HA -0.136 4.329 4.460 0.008 0.000 0.276 459 C C 2.386 177.461 174.990 0.141 0.000 1.215 459 C CA 0.231 59.318 59.018 0.115 0.000 1.743 459 C CB -1.387 26.436 27.740 0.138 0.000 2.044 459 C HN 0.784 nan 8.230 nan 0.000 0.464 460 W N 1.590 122.908 121.300 0.030 0.000 2.332 460 W HA -0.182 4.475 4.660 -0.006 0.000 0.321 460 W C 2.523 179.054 176.519 0.020 0.000 1.219 460 W CA 2.497 59.862 57.345 0.034 0.000 1.277 460 W CB -0.980 28.500 29.460 0.032 0.000 1.161 460 W HN 0.226 nan 8.180 nan 0.000 0.476 461 T N 1.696 116.180 114.554 -0.115 0.000 2.699 461 T HA -0.274 4.081 4.350 0.008 0.000 0.268 461 T C 1.954 176.419 174.700 -0.392 0.000 1.036 461 T CA 2.019 63.876 62.100 -0.404 0.000 1.147 461 T CB -0.721 68.023 68.868 -0.207 0.000 0.862 461 T HN 0.156 nan 8.240 nan 0.000 0.446 462 L N 1.362 122.462 121.223 -0.205 0.000 2.042 462 L HA -0.160 4.185 4.340 0.008 0.000 0.210 462 L C 2.890 179.718 176.870 -0.070 0.000 1.076 462 L CA 1.648 56.415 54.840 -0.122 0.000 0.749 462 L CB -0.639 41.402 42.059 -0.030 0.000 0.893 462 L HN 0.399 nan 8.230 nan 0.000 0.432 463 S N -0.687 114.956 115.700 -0.095 0.000 2.419 463 S HA -0.152 4.323 4.470 0.008 0.000 0.233 463 S C 1.996 176.547 174.600 -0.081 0.000 1.016 463 S CA 0.562 58.726 58.200 -0.060 0.000 0.974 463 S CB -0.337 62.841 63.200 -0.038 0.000 0.786 463 S HN 0.340 nan 8.310 nan 0.000 0.492 464 R N -0.311 120.074 120.500 -0.193 0.000 2.280 464 R HA 0.100 4.445 4.340 0.008 0.000 0.207 464 R C 0.378 176.837 176.300 0.265 0.000 1.043 464 R CA 0.742 56.789 56.100 -0.087 0.000 1.006 464 R CB -0.395 29.717 30.300 -0.314 0.000 0.885 464 R HN 0.566 nan 8.270 nan 0.000 0.467 465 Y N -0.971 119.268 120.300 -0.102 0.000 2.557 465 Y HA 0.352 4.904 4.550 0.005 0.000 0.247 465 Y C 1.775 177.724 175.900 0.081 0.000 1.164 465 Y CA -0.944 57.151 58.100 -0.008 0.000 1.218 465 Y CB -0.226 38.208 38.460 -0.044 0.000 1.210 465 Y HN -0.057 nan 8.280 nan 0.000 0.529 466 A N 0.067 122.994 122.820 0.178 0.000 1.915 466 A HA -0.360 3.965 4.320 0.008 0.000 0.220 466 A C 2.050 179.716 177.584 0.137 0.000 1.198 466 A CA 2.675 54.787 52.037 0.125 0.000 0.647 466 A CB -0.929 18.112 19.000 0.069 0.000 0.825 466 A HN 0.578 nan 8.150 nan 0.000 0.456 467 H N -2.411 116.697 119.070 0.063 0.000 2.290 467 H HA -0.215 4.347 4.556 0.010 0.000 0.298 467 H C 1.776 177.150 175.328 0.077 0.000 1.087 467 H CA 2.316 58.391 56.048 0.046 0.000 1.291 467 H CB -0.568 29.210 29.762 0.027 0.000 1.369 467 H HN 0.679 nan 8.280 nan 0.000 0.492 468 W N 0.650 121.871 121.300 -0.132 0.000 2.335 468 W HA -0.233 4.430 4.660 0.006 0.000 0.311 468 W C 2.287 178.714 176.519 -0.152 0.000 1.213 468 W CA 2.457 59.692 57.345 -0.184 0.000 1.274 468 W CB -0.687 28.699 29.460 -0.123 0.000 1.148 468 W HN 0.077 nan 8.180 nan 0.000 0.498 469 V N 0.419 120.376 119.914 0.072 0.000 2.250 469 V HA -0.403 3.722 4.120 0.008 0.000 0.250 469 V C 2.109 178.094 176.094 -0.181 0.000 1.060 469 V CA 2.260 64.526 62.300 -0.056 0.000 1.030 469 V CB -1.626 30.264 31.823 0.112 0.000 0.643 469 V HN 0.168 nan 8.190 nan 0.000 0.445 470 V N 0.960 120.783 119.914 -0.150 0.000 2.490 470 V HA -0.216 3.909 4.120 0.008 0.000 0.250 470 V C 2.659 178.612 176.094 -0.236 0.000 1.061 470 V CA 2.149 64.357 62.300 -0.153 0.000 1.064 470 V CB -0.816 30.944 31.823 -0.105 0.000 0.670 470 V HN 0.789 nan 8.190 nan 0.000 0.461 471 S N -1.159 114.311 115.700 -0.383 0.000 2.474 471 S HA -0.077 4.398 4.470 0.008 0.000 0.235 471 S C 1.071 175.451 174.600 -0.368 0.000 0.997 471 S CA 0.448 58.416 58.200 -0.386 0.000 0.949 471 S CB -0.220 62.698 63.200 -0.471 0.000 0.766 471 S HN 0.592 nan 8.310 nan 0.000 0.517 472 Q N 2.124 121.658 119.800 -0.443 0.000 2.256 472 Q HA 0.436 4.781 4.340 0.008 0.000 0.232 472 Q C -2.633 173.271 176.000 -0.160 0.000 0.965 472 Q CA -2.579 53.028 55.803 -0.326 0.000 0.908 472 Q CB -0.227 28.302 28.738 -0.348 0.000 1.209 472 Q HN 0.209 nan 8.270 nan 0.000 0.489 473 P HA -0.048 nan 4.420 nan 0.000 0.260 473 P C -2.022 175.232 177.300 -0.077 0.000 1.172 473 P CA -0.616 62.432 63.100 -0.086 0.000 0.760 473 P CB -0.082 31.566 31.700 -0.086 0.000 0.773 474 P HA -0.174 nan 4.420 nan 0.000 0.217 474 P C 1.077 178.373 177.300 -0.008 0.000 1.148 474 P CA 1.472 64.564 63.100 -0.012 0.000 0.828 474 P CB 0.058 31.768 31.700 0.017 0.000 0.783 475 D N -1.820 118.561 120.400 -0.033 0.000 2.234 475 D HA -0.040 4.605 4.640 0.008 0.000 0.205 475 D C 1.538 177.774 176.300 -0.106 0.000 0.962 475 D CA 1.140 55.119 54.000 -0.036 0.000 0.855 475 D CB 0.033 40.816 40.800 -0.028 0.000 0.951 475 D HN 0.202 nan 8.370 nan 0.000 0.500 476 T N -0.316 114.110 114.554 -0.213 0.000 2.698 476 T HA -0.104 4.251 4.350 0.008 0.000 0.260 476 T C 1.611 176.010 174.700 -0.502 0.000 1.044 476 T CA 1.116 62.935 62.100 -0.469 0.000 1.149 476 T CB -0.227 68.162 68.868 -0.798 0.000 0.864 476 T HN 0.243 nan 8.240 nan 0.000 0.419 477 Y N -0.519 119.778 120.300 -0.006 0.000 2.664 477 Y HA 0.406 4.961 4.550 0.010 0.000 0.278 477 Y C 1.947 177.852 175.900 0.008 0.000 1.130 477 Y CA -0.611 57.506 58.100 0.028 0.000 1.260 477 Y CB -0.358 38.139 38.460 0.061 0.000 1.369 477 Y HN -0.006 nan 8.280 nan 0.000 0.499 478 L N 1.430 122.726 121.223 0.122 0.000 2.046 478 L HA -0.160 4.185 4.340 0.008 0.000 0.208 478 L C 2.228 179.089 176.870 -0.015 0.000 1.077 478 L CA 1.928 56.796 54.840 0.047 0.000 0.747 478 L CB -0.617 41.452 42.059 0.017 0.000 0.896 478 L HN 0.104 nan 8.230 nan 0.000 0.432 479 K N -0.337 120.047 120.400 -0.027 0.000 1.991 479 K HA -0.130 4.195 4.320 0.008 0.000 0.212 479 K C -0.382 176.170 176.600 -0.079 0.000 1.049 479 K CA 1.910 58.143 56.287 -0.089 0.000 0.932 479 K CB -1.191 31.311 32.500 0.003 0.000 0.717 479 K HN 0.334 nan 8.250 nan 0.000 0.441 480 P HA -0.187 nan 4.420 nan 0.000 0.215 480 P C 1.639 178.949 177.300 0.016 0.000 1.153 480 P CA 0.998 64.103 63.100 0.008 0.000 0.853 480 P CB -0.142 31.580 31.700 0.036 0.000 0.788 481 L N -0.810 120.439 121.223 0.043 0.000 1.997 481 L HA -0.193 4.152 4.340 0.008 0.000 0.216 481 L C 2.671 179.565 176.870 0.040 0.000 1.074 481 L CA 2.092 56.966 54.840 0.056 0.000 0.763 481 L CB -1.440 40.669 42.059 0.083 0.000 0.890 481 L HN -0.152 nan 8.230 nan 0.000 0.434 482 M N -1.507 118.094 119.600 0.002 0.000 2.065 482 M HA -0.235 4.250 4.480 0.008 0.000 0.259 482 M C 2.112 178.366 176.300 -0.077 0.000 1.069 482 M CA 2.476 57.778 55.300 0.003 0.000 1.110 482 M CB -0.759 31.747 32.600 -0.157 0.000 1.328 482 M HN 0.349 nan 8.290 nan 0.000 0.405 483 T N 0.154 114.650 114.554 -0.096 0.000 2.699 483 T HA -0.167 4.188 4.350 0.008 0.000 0.268 483 T C 1.677 176.363 174.700 -0.024 0.000 1.036 483 T CA 1.325 63.405 62.100 -0.033 0.000 1.147 483 T CB -0.246 68.629 68.868 0.012 0.000 0.862 483 T HN 0.359 nan 8.240 nan 0.000 0.446 484 E N 0.306 120.497 120.200 -0.014 0.000 2.122 484 E HA 0.058 4.413 4.350 0.008 0.000 0.190 484 E C 2.221 178.808 176.600 -0.022 0.000 0.977 484 E CA 0.411 56.808 56.400 -0.005 0.000 0.820 484 E CB -0.287 29.421 29.700 0.013 0.000 0.770 484 E HN 0.273 nan 8.360 nan 0.000 0.462 485 L N 0.919 122.132 121.223 -0.017 0.000 2.056 485 L HA -0.100 4.245 4.340 0.008 0.000 0.207 485 L C 2.381 179.153 176.870 -0.163 0.000 1.078 485 L CA 1.214 56.045 54.840 -0.015 0.000 0.749 485 L CB -0.824 41.309 42.059 0.123 0.000 0.901 485 L HN 0.088 nan 8.230 nan 0.000 0.433 486 L N -1.027 120.007 121.223 -0.316 0.000 2.079 486 L HA -0.278 4.067 4.340 0.008 0.000 0.210 486 L C 2.445 179.151 176.870 -0.273 0.000 1.081 486 L CA 1.306 55.852 54.840 -0.489 0.000 0.752 486 L CB -0.470 41.168 42.059 -0.701 0.000 0.896 486 L HN 0.229 nan 8.230 nan 0.000 0.433 487 K N -0.650 119.667 120.400 -0.139 0.000 2.097 487 K HA -0.095 4.230 4.320 0.008 0.000 0.205 487 K C 2.259 178.841 176.600 -0.032 0.000 1.050 487 K CA 0.899 57.155 56.287 -0.050 0.000 0.938 487 K CB -0.025 32.471 32.500 -0.007 0.000 0.718 487 K HN 0.171 nan 8.250 nan 0.000 0.442 488 R N 0.691 121.173 120.500 -0.030 0.000 2.115 488 R HA 0.019 4.364 4.340 0.008 0.000 0.226 488 R C 2.205 178.526 176.300 0.036 0.000 1.100 488 R CA 0.846 56.951 56.100 0.009 0.000 0.980 488 R CB -0.487 29.825 30.300 0.019 0.000 0.875 488 R HN 0.262 nan 8.270 nan 0.000 0.445 489 I N 1.144 121.715 120.570 0.001 0.000 2.381 489 I HA -0.272 3.903 4.170 0.008 0.000 0.255 489 I C 1.404 177.606 176.117 0.142 0.000 1.140 489 I CA 1.388 62.724 61.300 0.061 0.000 1.404 489 I CB -0.105 37.850 38.000 -0.075 0.000 1.075 489 I HN 0.054 nan 8.210 nan 0.000 0.433 490 L N -0.227 121.046 121.223 0.082 0.000 2.872 490 L HA 0.181 4.526 4.340 0.008 0.000 0.245 490 L C 0.591 177.533 176.870 0.119 0.000 1.211 490 L CA -0.334 54.585 54.840 0.131 0.000 1.013 490 L CB -0.318 41.795 42.059 0.090 0.000 1.326 490 L HN 0.134 nan 8.230 nan 0.000 0.525 491 D N 0.695 121.156 120.400 0.101 0.000 2.419 491 D HA -0.071 4.574 4.640 0.008 0.000 0.236 491 D C 1.218 177.564 176.300 0.077 0.000 1.165 491 D CA 0.442 54.482 54.000 0.068 0.000 0.882 491 D CB 1.394 42.222 40.800 0.048 0.000 1.201 491 D HN 0.234 nan 8.370 nan 0.000 0.443 492 S N 2.406 118.135 115.700 0.049 0.000 2.481 492 S HA -0.133 4.343 4.470 0.008 0.000 0.231 492 S C 0.879 175.495 174.600 0.026 0.000 0.996 492 S CA 0.002 58.228 58.200 0.043 0.000 0.942 492 S CB 0.034 63.249 63.200 0.025 0.000 0.768 492 S HN 0.512 nan 8.310 nan 0.000 0.520 493 N N 1.569 120.276 118.700 0.012 0.000 2.425 493 N HA 0.173 4.918 4.740 0.008 0.000 0.268 493 N C 0.600 176.102 175.510 -0.013 0.000 0.991 493 N CA -0.381 52.663 53.050 -0.010 0.000 0.931 493 N CB 1.034 39.504 38.487 -0.028 0.000 1.130 493 N HN 0.037 nan 8.380 nan 0.000 0.493 494 K N 3.387 123.769 120.400 -0.031 0.000 2.059 494 K HA -0.189 4.136 4.320 0.008 0.000 0.212 494 K C 1.498 178.056 176.600 -0.070 0.000 1.050 494 K CA 1.342 57.589 56.287 -0.067 0.000 0.927 494 K CB -0.050 32.407 32.500 -0.071 0.000 0.714 494 K HN 0.595 nan 8.250 nan 0.000 0.447 495 R N 0.633 121.106 120.500 -0.045 0.000 2.115 495 R HA -0.065 4.280 4.340 0.008 0.000 0.230 495 R C 2.345 178.640 176.300 -0.008 0.000 1.111 495 R CA 0.934 57.016 56.100 -0.030 0.000 0.976 495 R CB -0.136 30.150 30.300 -0.024 0.000 0.870 495 R HN -0.003 nan 8.270 nan 0.000 0.445 496 V N 0.705 120.617 119.914 -0.003 0.000 2.548 496 V HA -0.192 3.933 4.120 0.008 0.000 0.249 496 V C 2.111 178.229 176.094 0.040 0.000 1.055 496 V CA 1.436 63.750 62.300 0.022 0.000 1.065 496 V CB -0.437 31.396 31.823 0.016 0.000 0.681 496 V HN 0.337 nan 8.190 nan 0.000 0.462 497 Q N 0.238 120.051 119.800 0.023 0.000 2.002 497 Q HA -0.259 4.087 4.340 0.008 0.000 0.204 497 Q C 2.345 178.363 176.000 0.030 0.000 0.988 497 Q CA 2.123 57.955 55.803 0.049 0.000 0.843 497 Q CB -0.219 28.481 28.738 -0.063 0.000 0.908 497 Q HN 0.689 nan 8.270 nan 0.000 0.420 498 E N 0.474 120.641 120.200 -0.055 0.000 2.038 498 E HA -0.230 4.125 4.350 0.008 0.000 0.195 498 E C 1.999 178.639 176.600 0.067 0.000 1.000 498 E CA 1.075 57.464 56.400 -0.018 0.000 0.803 498 E CB -0.202 29.472 29.700 -0.044 0.000 0.750 498 E HN 0.372 nan 8.360 nan 0.000 0.448 499 A N 1.292 124.154 122.820 0.071 0.000 1.908 499 A HA -0.172 4.153 4.320 0.008 0.000 0.218 499 A C 2.355 180.027 177.584 0.148 0.000 1.181 499 A CA 1.937 54.046 52.037 0.119 0.000 0.627 499 A CB -0.690 18.378 19.000 0.112 0.000 0.818 499 A HN 0.316 nan 8.150 nan 0.000 0.445 500 A N -1.503 121.394 122.820 0.128 0.000 1.872 500 A HA -0.147 4.178 4.320 0.008 0.000 0.214 500 A C 2.377 180.070 177.584 0.180 0.000 1.187 500 A CA 1.515 53.632 52.037 0.135 0.000 0.614 500 A CB -1.340 17.716 19.000 0.094 0.000 0.826 500 A HN 0.669 nan 8.150 nan 0.000 0.442 501 C N -1.049 118.367 119.300 0.192 0.000 2.429 501 C HA -0.045 4.420 4.460 0.008 0.000 0.277 501 C C 3.211 178.353 174.990 0.252 0.000 1.262 501 C CA 1.612 60.776 59.018 0.243 0.000 1.733 501 C CB -0.986 26.934 27.740 0.300 0.000 2.010 501 C HN 0.610 nan 8.230 nan 0.000 0.483 502 S N -0.135 115.688 115.700 0.205 0.000 2.368 502 S HA -0.064 4.411 4.470 0.008 0.000 0.224 502 S C 2.064 176.780 174.600 0.193 0.000 1.029 502 S CA 1.598 59.912 58.200 0.190 0.000 0.988 502 S CB -0.344 62.960 63.200 0.173 0.000 0.838 502 S HN 0.734 nan 8.310 nan 0.000 0.462 503 A N 0.226 123.168 122.820 0.204 0.000 1.930 503 A HA 0.037 4.362 4.320 0.008 0.000 0.217 503 A C 1.927 179.612 177.584 0.169 0.000 1.175 503 A CA 1.318 53.459 52.037 0.173 0.000 0.627 503 A CB -0.950 18.150 19.000 0.166 0.000 0.815 503 A HN 0.622 nan 8.150 nan 0.000 0.443 504 F N 0.970 120.956 119.950 0.060 0.000 2.171 504 F HA -0.046 4.486 4.527 0.008 0.000 0.300 504 F C 2.518 178.343 175.800 0.041 0.000 1.090 504 F CA 0.828 58.849 58.000 0.035 0.000 1.293 504 F CB -0.394 38.619 39.000 0.022 0.000 1.013 504 F HN 0.251 nan 8.300 nan 0.000 0.486 505 A N -0.710 122.178 122.820 0.113 0.000 1.908 505 A HA -0.193 4.132 4.320 0.008 0.000 0.218 505 A C 2.216 179.784 177.584 -0.027 0.000 1.181 505 A CA 2.331 54.390 52.037 0.037 0.000 0.627 505 A CB -1.395 17.677 19.000 0.121 0.000 0.818 505 A HN 0.405 nan 8.150 nan 0.000 0.445 506 T N -0.050 114.510 114.554 0.010 0.000 2.746 506 T HA -0.118 4.237 4.350 0.008 0.000 0.267 506 T C 1.827 176.495 174.700 -0.053 0.000 1.039 506 T CA 1.470 63.571 62.100 0.002 0.000 1.142 506 T CB -0.340 68.550 68.868 0.037 0.000 0.866 506 T HN 0.289 nan 8.240 nan 0.000 0.444 507 L N 1.321 122.478 121.223 -0.111 0.000 2.046 507 L HA -0.040 4.305 4.340 0.008 0.000 0.208 507 L C 2.344 179.065 176.870 -0.248 0.000 1.077 507 L CA 1.777 56.515 54.840 -0.169 0.000 0.747 507 L CB -0.610 41.322 42.059 -0.211 0.000 0.896 507 L HN 0.257 nan 8.230 nan 0.000 0.432 508 E N -0.734 119.231 120.200 -0.392 0.000 2.058 508 E HA -0.291 4.064 4.350 0.008 0.000 0.194 508 E C 2.091 178.598 176.600 -0.155 0.000 0.997 508 E CA 1.450 57.647 56.400 -0.339 0.000 0.801 508 E CB -0.211 29.282 29.700 -0.346 0.000 0.746 508 E HN 0.561 nan 8.360 nan 0.000 0.450 509 E N 0.536 120.675 120.200 -0.103 0.000 2.153 509 E HA -0.246 4.109 4.350 0.008 0.000 0.194 509 E C 1.789 178.373 176.600 -0.027 0.000 0.988 509 E CA 1.058 57.431 56.400 -0.045 0.000 0.811 509 E CB 0.153 29.841 29.700 -0.021 0.000 0.746 509 E HN 0.076 nan 8.360 nan 0.000 0.466 510 E N -0.484 119.699 120.200 -0.028 0.000 2.250 510 E HA 0.037 4.392 4.350 0.008 0.000 0.192 510 E C 1.461 178.058 176.600 -0.004 0.000 0.986 510 E CA 0.898 57.306 56.400 0.014 0.000 0.849 510 E CB 0.107 29.832 29.700 0.041 0.000 0.797 510 E HN 0.287 nan 8.360 nan 0.000 0.482 511 A N -0.500 122.292 122.820 -0.047 0.000 1.887 511 A HA 0.115 4.440 4.320 0.008 0.000 0.212 511 A C 1.511 179.076 177.584 -0.032 0.000 1.198 511 A CA 0.800 52.810 52.037 -0.046 0.000 0.628 511 A CB -0.498 18.459 19.000 -0.072 0.000 0.847 511 A HN 0.428 nan 8.150 nan 0.000 0.449 512 C N -2.718 116.558 119.300 -0.039 0.000 0.168 512 C HA -0.286 4.179 4.460 0.008 0.000 0.017 512 C C 2.222 177.197 174.990 -0.025 0.000 0.171 512 C CA 1.279 60.283 59.018 -0.023 0.000 0.499 512 C CB -2.000 25.738 27.740 -0.003 0.000 3.212 512 C HN 0.617 nan 8.230 nan 0.000 1.118 513 T N 0.433 114.977 114.554 -0.016 0.000 2.680 513 T HA -0.289 4.066 4.350 0.008 0.000 0.268 513 T C 1.190 175.849 174.700 -0.068 0.000 1.033 513 T CA 2.495 64.566 62.100 -0.048 0.000 1.152 513 T CB -0.439 68.421 68.868 -0.015 0.000 0.859 513 T HN 0.708 nan 8.240 nan 0.000 0.452 514 E N 0.499 120.685 120.200 -0.024 0.000 2.331 514 E HA -0.021 4.335 4.350 0.008 0.000 0.199 514 E C 1.801 178.450 176.600 0.082 0.000 1.008 514 E CA 0.491 56.900 56.400 0.014 0.000 0.843 514 E CB -0.428 29.288 29.700 0.026 0.000 0.761 514 E HN 0.530 nan 8.360 nan 0.000 0.507 515 L N -1.155 120.101 121.223 0.054 0.000 2.395 515 L HA -0.064 4.281 4.340 0.008 0.000 0.218 515 L C 2.030 178.950 176.870 0.082 0.000 1.130 515 L CA 0.030 54.953 54.840 0.138 0.000 0.826 515 L CB -0.157 41.930 42.059 0.046 0.000 0.941 515 L HN 0.034 nan 8.230 nan 0.000 0.451 516 V N 0.781 120.650 119.914 -0.076 0.000 2.282 516 V HA -0.217 3.908 4.120 0.008 0.000 0.249 516 V C 0.057 176.055 176.094 -0.160 0.000 1.057 516 V CA 2.171 64.367 62.300 -0.172 0.000 1.032 516 V CB -1.561 30.032 31.823 -0.384 0.000 0.645 516 V HN 0.376 nan 8.190 nan 0.000 0.447 517 P HA -0.163 nan 4.420 nan 0.000 0.218 517 P C 0.817 177.827 177.300 -0.483 0.000 1.146 517 P CA 1.597 64.421 63.100 -0.459 0.000 0.813 517 P CB -0.126 31.111 31.700 -0.771 0.000 0.778 518 Y N -2.853 117.469 120.300 0.037 0.000 2.555 518 Y HA 0.193 4.749 4.550 0.009 0.000 0.259 518 Y C 1.808 177.741 175.900 0.054 0.000 1.179 518 Y CA -0.616 57.534 58.100 0.083 0.000 1.230 518 Y CB -0.522 37.998 38.460 0.101 0.000 1.146 518 Y HN -0.161 nan 8.280 nan 0.000 0.526 519 L N 1.246 122.513 121.223 0.073 0.000 2.042 519 L HA -0.211 4.134 4.340 0.008 0.000 0.210 519 L C 2.341 179.136 176.870 -0.125 0.000 1.076 519 L CA 2.091 56.888 54.840 -0.071 0.000 0.749 519 L CB -0.905 41.036 42.059 -0.197 0.000 0.893 519 L HN 0.255 nan 8.230 nan 0.000 0.432 520 A N -1.889 120.941 122.820 0.017 0.000 1.930 520 A HA -0.268 4.057 4.320 0.008 0.000 0.217 520 A C 2.275 179.952 177.584 0.154 0.000 1.175 520 A CA 1.692 53.798 52.037 0.115 0.000 0.627 520 A CB -1.006 18.136 19.000 0.237 0.000 0.815 520 A HN 0.582 nan 8.150 nan 0.000 0.443 521 Y N 0.368 120.685 120.300 0.029 0.000 2.286 521 Y HA -0.021 4.536 4.550 0.011 0.000 0.293 521 Y C 1.902 177.788 175.900 -0.023 0.000 1.124 521 Y CA 0.706 58.814 58.100 0.014 0.000 1.178 521 Y CB -0.432 38.062 38.460 0.056 0.000 1.010 521 Y HN 0.272 nan 8.280 nan 0.000 0.536 522 I N -0.551 120.003 120.570 -0.026 0.000 2.179 522 I HA -0.343 3.832 4.170 0.008 0.000 0.242 522 I C 2.369 178.418 176.117 -0.114 0.000 1.088 522 I CA 1.358 62.583 61.300 -0.126 0.000 1.357 522 I CB -0.485 37.552 38.000 0.061 0.000 1.051 522 I HN 0.140 nan 8.210 nan 0.000 0.409 523 L N 0.125 121.293 121.223 -0.092 0.000 2.093 523 L HA -0.219 4.126 4.340 0.008 0.000 0.208 523 L C 2.135 178.964 176.870 -0.070 0.000 1.085 523 L CA 1.097 55.870 54.840 -0.112 0.000 0.755 523 L CB -0.613 41.345 42.059 -0.168 0.000 0.904 523 L HN 0.265 nan 8.230 nan 0.000 0.435 524 D N -0.523 119.875 120.400 -0.003 0.000 2.097 524 D HA -0.153 4.492 4.640 0.008 0.000 0.195 524 D C 2.155 178.465 176.300 0.017 0.000 0.989 524 D CA 1.775 55.798 54.000 0.039 0.000 0.827 524 D CB -0.174 40.693 40.800 0.111 0.000 0.966 524 D HN 0.259 nan 8.370 nan 0.000 0.456 525 T N 1.214 115.734 114.554 -0.056 0.000 2.708 525 T HA -0.076 4.280 4.350 0.008 0.000 0.266 525 T C 2.280 176.925 174.700 -0.091 0.000 1.037 525 T CA 0.648 62.684 62.100 -0.107 0.000 1.146 525 T CB -0.311 68.379 68.868 -0.298 0.000 0.865 525 T HN 0.116 nan 8.240 nan 0.000 0.435 526 L N 0.667 121.808 121.223 -0.138 0.000 2.027 526 L HA -0.065 4.280 4.340 0.008 0.000 0.206 526 L C 2.729 179.455 176.870 -0.239 0.000 1.074 526 L CA 0.900 55.647 54.840 -0.155 0.000 0.745 526 L CB -0.777 41.205 42.059 -0.127 0.000 0.898 526 L HN 0.130 nan 8.230 nan 0.000 0.433 527 V N -0.501 119.259 119.914 -0.257 0.000 2.343 527 V HA -0.305 3.820 4.120 0.008 0.000 0.247 527 V C 2.264 178.276 176.094 -0.137 0.000 1.051 527 V CA 1.829 63.913 62.300 -0.360 0.000 1.036 527 V CB -0.599 31.085 31.823 -0.232 0.000 0.654 527 V HN 0.306 nan 8.190 nan 0.000 0.451 528 F N 1.493 121.358 119.950 -0.142 0.000 2.134 528 F HA -0.158 4.374 4.527 0.008 0.000 0.299 528 F C 2.317 178.066 175.800 -0.084 0.000 1.097 528 F CA 1.296 59.251 58.000 -0.075 0.000 1.264 528 F CB -0.505 38.459 39.000 -0.060 0.000 1.001 528 F HN 0.084 nan 8.300 nan 0.000 0.479 529 A N 0.132 122.903 122.820 -0.080 0.000 1.948 529 A HA -0.241 4.084 4.320 0.008 0.000 0.220 529 A C 2.099 179.536 177.584 -0.245 0.000 1.177 529 A CA 1.719 53.520 52.037 -0.394 0.000 0.636 529 A CB -1.488 17.110 19.000 -0.671 0.000 0.815 529 A HN 0.415 nan 8.150 nan 0.000 0.449 530 F N 1.159 120.958 119.950 -0.252 0.000 2.115 530 F HA -0.225 4.306 4.527 0.007 0.000 0.300 530 F C 2.830 178.552 175.800 -0.129 0.000 1.092 530 F CA 1.462 59.395 58.000 -0.111 0.000 1.245 530 F CB -0.907 38.052 39.000 -0.069 0.000 0.995 530 F HN 0.247 nan 8.300 nan 0.000 0.481 531 S N -0.868 114.794 115.700 -0.065 0.000 2.377 531 S HA -0.145 4.331 4.470 0.008 0.000 0.223 531 S C 1.983 176.472 174.600 -0.185 0.000 1.030 531 S CA 1.032 59.122 58.200 -0.184 0.000 0.970 531 S CB -0.231 62.746 63.200 -0.372 0.000 0.830 531 S HN 0.313 nan 8.310 nan 0.000 0.473 532 K N 0.578 120.823 120.400 -0.260 0.000 2.025 532 K HA -0.006 4.319 4.320 0.008 0.000 0.207 532 K C 0.199 176.884 176.600 0.142 0.000 1.049 532 K CA 0.600 56.842 56.287 -0.075 0.000 0.933 532 K CB -0.197 32.290 32.500 -0.022 0.000 0.714 532 K HN 0.370 nan 8.250 nan 0.000 0.438 533 Y N 1.585 121.880 120.300 -0.009 0.000 2.550 533 Y HA -0.057 4.498 4.550 0.009 0.000 0.343 533 Y C 0.628 176.511 175.900 -0.028 0.000 1.245 533 Y CA -0.811 57.295 58.100 0.010 0.000 1.462 533 Y CB 0.629 39.121 38.460 0.054 0.000 1.340 533 Y HN 0.253 nan 8.280 nan 0.000 0.604 534 Q N 0.903 120.756 119.800 0.088 0.000 2.394 534 Q HA 0.172 4.517 4.340 0.008 0.000 0.273 534 Q C 0.479 176.489 176.000 0.017 0.000 1.089 534 Q CA -0.805 54.997 55.803 -0.001 0.000 0.812 534 Q CB 1.342 30.066 28.738 -0.023 0.000 1.353 534 Q HN 0.752 nan 8.270 nan 0.000 0.438 535 H N 1.844 120.893 119.070 -0.035 0.000 1.497 535 H HA -0.321 4.241 4.556 0.010 0.000 0.099 535 H C 1.553 176.828 175.328 -0.088 0.000 1.162 535 H CA 2.717 58.728 56.048 -0.061 0.000 1.883 535 H CB -0.089 29.641 29.762 -0.053 0.000 2.239 535 H HN 0.626 nan 8.280 nan 0.000 0.955 536 K N 0.252 120.688 120.400 0.060 0.000 2.189 536 K HA -0.225 4.100 4.320 0.008 0.000 0.207 536 K C 1.754 178.312 176.600 -0.070 0.000 1.046 536 K CA 2.047 58.314 56.287 -0.032 0.000 0.928 536 K CB -0.013 32.463 32.500 -0.040 0.000 0.720 536 K HN 0.312 nan 8.250 nan 0.000 0.458 537 N N 0.144 118.777 118.700 -0.112 0.000 2.333 537 N HA -0.005 4.740 4.740 0.008 0.000 0.178 537 N C 1.543 177.059 175.510 0.011 0.000 1.018 537 N CA 0.541 53.459 53.050 -0.220 0.000 0.882 537 N CB -0.004 38.049 38.487 -0.724 0.000 0.984 537 N HN 0.102 nan 8.380 nan 0.000 0.434 538 L N 0.522 121.789 121.223 0.074 0.000 2.013 538 L HA -0.189 4.156 4.340 0.008 0.000 0.212 538 L C 1.845 178.589 176.870 -0.212 0.000 1.073 538 L CA 1.109 55.987 54.840 0.064 0.000 0.753 538 L CB -0.657 41.371 42.059 -0.051 0.000 0.890 538 L HN 0.188 nan 8.230 nan 0.000 0.432 539 L N -0.355 120.693 121.223 -0.291 0.000 2.051 539 L HA -0.304 4.041 4.340 0.008 0.000 0.214 539 L C 2.428 179.288 176.870 -0.016 0.000 1.076 539 L CA 1.625 56.310 54.840 -0.258 0.000 0.758 539 L CB -0.652 41.330 42.059 -0.129 0.000 0.890 539 L HN 0.261 nan 8.230 nan 0.000 0.433 540 I N -0.925 119.683 120.570 0.063 0.000 2.439 540 I HA -0.216 3.960 4.170 0.008 0.000 0.251 540 I C 2.414 178.687 176.117 0.261 0.000 1.139 540 I CA 0.615 62.004 61.300 0.149 0.000 1.438 540 I CB -0.163 37.907 38.000 0.117 0.000 1.085 540 I HN 0.238 nan 8.210 nan 0.000 0.427 541 L N 0.506 121.944 121.223 0.359 0.000 2.072 541 L HA -0.170 4.175 4.340 0.008 0.000 0.205 541 L C 2.394 179.574 176.870 0.517 0.000 1.079 541 L CA 1.818 56.940 54.840 0.469 0.000 0.752 541 L CB -0.902 41.512 42.059 0.591 0.000 0.906 541 L HN 0.179 nan 8.230 nan 0.000 0.436 542 Y N -0.286 120.170 120.300 0.260 0.000 2.114 542 Y HA -0.351 4.205 4.550 0.009 0.000 0.282 542 Y C 2.540 178.543 175.900 0.171 0.000 1.165 542 Y CA 1.050 59.284 58.100 0.223 0.000 1.148 542 Y CB -0.406 38.168 38.460 0.190 0.000 0.972 542 Y HN 0.338 nan 8.280 nan 0.000 0.504 543 D N 0.127 120.731 120.400 0.340 0.000 2.178 543 D HA -0.172 4.473 4.640 0.008 0.000 0.201 543 D C 2.034 178.449 176.300 0.190 0.000 0.980 543 D CA 1.238 55.374 54.000 0.228 0.000 0.842 543 D CB -0.137 40.780 40.800 0.194 0.000 0.948 543 D HN 0.280 nan 8.370 nan 0.000 0.472 544 A N 0.181 123.135 122.820 0.223 0.000 1.855 544 A HA -0.069 4.256 4.320 0.008 0.000 0.215 544 A C 2.430 180.111 177.584 0.162 0.000 1.191 544 A CA 1.285 53.447 52.037 0.208 0.000 0.613 544 A CB -0.831 18.328 19.000 0.266 0.000 0.829 544 A HN 0.348 nan 8.150 nan 0.000 0.442 545 I N -0.077 120.586 120.570 0.156 0.000 2.118 545 I HA -0.260 3.915 4.170 0.008 0.000 0.241 545 I C 2.754 178.906 176.117 0.058 0.000 1.070 545 I CA 1.293 62.641 61.300 0.080 0.000 1.327 545 I CB -0.833 37.197 38.000 0.050 0.000 1.034 545 I HN 0.405 nan 8.210 nan 0.000 0.405 546 G N 0.384 109.232 108.800 0.081 0.000 2.514 546 G HA2 -0.285 3.680 3.960 0.008 0.000 0.217 546 G HA3 -0.285 3.680 3.960 0.008 0.000 0.217 546 G C 1.631 176.554 174.900 0.039 0.000 1.198 546 G CA 1.691 46.823 45.100 0.054 0.000 0.780 546 G HN 0.332 nan 8.290 nan 0.000 0.565 547 T N 1.216 115.801 114.554 0.052 0.000 2.720 547 T HA -0.178 4.177 4.350 0.008 0.000 0.268 547 T C 2.254 176.957 174.700 0.004 0.000 1.037 547 T CA 1.289 63.404 62.100 0.025 0.000 1.144 547 T CB -0.311 68.571 68.868 0.024 0.000 0.864 547 T HN 0.147 nan 8.240 nan 0.000 0.444 548 L N 1.596 122.827 121.223 0.013 0.000 2.013 548 L HA -0.089 4.256 4.340 0.008 0.000 0.212 548 L C 2.642 179.507 176.870 -0.008 0.000 1.073 548 L CA 2.146 56.985 54.840 -0.001 0.000 0.753 548 L CB -1.097 40.974 42.059 0.021 0.000 0.890 548 L HN 0.244 nan 8.230 nan 0.000 0.432 549 A N -0.800 122.019 122.820 -0.003 0.000 1.883 549 A HA -0.284 4.041 4.320 0.008 0.000 0.217 549 A C 1.972 179.555 177.584 -0.002 0.000 1.186 549 A CA 2.144 54.179 52.037 -0.003 0.000 0.624 549 A CB -1.135 17.862 19.000 -0.005 0.000 0.822 549 A HN 0.591 nan 8.150 nan 0.000 0.444 550 D N -0.489 119.909 120.400 -0.002 0.000 2.149 550 D HA -0.081 4.564 4.640 0.008 0.000 0.198 550 D C 2.215 178.515 176.300 -0.000 0.000 0.990 550 D CA 1.688 55.687 54.000 -0.003 0.000 0.839 550 D CB -0.002 40.797 40.800 -0.001 0.000 0.948 550 D HN 0.443 nan 8.370 nan 0.000 0.460 551 S N -0.772 114.924 115.700 -0.007 0.000 2.406 551 S HA -0.004 4.472 4.470 0.008 0.000 0.224 551 S C 2.029 176.631 174.600 0.004 0.000 1.030 551 S CA 0.065 58.259 58.200 -0.010 0.000 0.958 551 S CB 0.141 63.320 63.200 -0.035 0.000 0.811 551 S HN 0.061 nan 8.310 nan 0.000 0.489 552 V N 1.097 121.014 119.914 0.004 0.000 2.788 552 V HA 0.154 4.279 4.120 0.008 0.000 0.251 552 V C 1.670 177.789 176.094 0.042 0.000 1.068 552 V CA 1.003 63.318 62.300 0.025 0.000 1.090 552 V CB -1.103 30.720 31.823 -0.001 0.000 0.710 552 V HN 0.644 nan 8.190 nan 0.000 0.467 553 G N 1.104 109.913 108.800 0.014 0.000 2.596 553 G HA2 -0.434 3.532 3.960 0.008 0.000 0.295 553 G HA3 -0.434 3.532 3.960 0.008 0.000 0.295 553 G C 0.921 175.801 174.900 -0.034 0.000 1.240 553 G CA 0.793 45.896 45.100 0.006 0.000 0.985 553 G HN 0.677 nan 8.290 nan 0.000 0.555 554 H N 0.502 119.538 119.070 -0.056 0.000 2.457 554 H HA -0.107 4.454 4.556 0.009 0.000 0.297 554 H C 1.983 177.279 175.328 -0.054 0.000 1.092 554 H CA 1.935 57.932 56.048 -0.084 0.000 1.309 554 H CB -0.667 29.005 29.762 -0.150 0.000 1.382 554 H HN 0.707 nan 8.280 nan 0.000 0.535 555 H N 0.139 118.943 119.070 -0.443 0.000 2.557 555 H HA -0.051 4.510 4.556 0.008 0.000 0.287 555 H C 1.933 177.295 175.328 0.058 0.000 1.043 555 H CA 0.889 56.814 56.048 -0.204 0.000 1.226 555 H CB 0.125 29.745 29.762 -0.237 0.000 1.361 555 H HN 0.342 nan 8.280 nan 0.000 0.592 556 L N 0.686 121.999 121.223 0.150 0.000 2.477 556 L HA 0.060 4.405 4.340 0.008 0.000 0.220 556 L C 0.805 177.836 176.870 0.269 0.000 1.106 556 L CA 0.388 55.345 54.840 0.195 0.000 0.851 556 L CB 0.012 42.117 42.059 0.075 0.000 0.994 556 L HN -0.041 nan 8.230 nan 0.000 0.462 557 N N 1.744 120.560 118.700 0.192 0.000 2.819 557 N HA 0.063 4.808 4.740 0.008 0.000 0.284 557 N C -1.208 174.378 175.510 0.126 0.000 1.196 557 N CA 0.307 53.452 53.050 0.158 0.000 1.114 557 N CB -0.254 38.313 38.487 0.134 0.000 1.437 557 N HN 0.077 nan 8.380 nan 0.000 0.518 558 K N 2.174 122.638 120.400 0.107 0.000 2.498 558 K HA 0.324 4.649 4.320 0.008 0.000 0.254 558 K C -2.026 174.548 176.600 -0.044 0.000 0.933 558 K CA -1.533 54.731 56.287 -0.038 0.000 0.806 558 K CB 2.203 34.545 32.500 -0.264 0.000 1.301 558 K HN 0.029 nan 8.250 nan 0.000 0.432 559 P HA -0.253 nan 4.420 nan 0.000 0.216 559 P C 0.877 178.168 177.300 -0.015 0.000 1.150 559 P CA 1.590 64.685 63.100 -0.008 0.000 0.837 559 P CB 0.341 32.032 31.700 -0.016 0.000 0.786 560 E N -0.764 119.377 120.200 -0.098 0.000 2.031 560 E HA -0.229 4.126 4.350 0.008 0.000 0.193 560 E C 2.038 178.673 176.600 0.057 0.000 0.994 560 E CA 1.123 57.482 56.400 -0.067 0.000 0.800 560 E CB -1.298 28.308 29.700 -0.156 0.000 0.752 560 E HN 0.162 nan 8.360 nan 0.000 0.447 561 Y N 1.307 121.615 120.300 0.014 0.000 2.097 561 Y HA -0.125 4.431 4.550 0.010 0.000 0.282 561 Y C 2.433 178.322 175.900 -0.018 0.000 1.152 561 Y CA 0.435 58.536 58.100 0.001 0.000 1.136 561 Y CB -0.786 37.682 38.460 0.013 0.000 0.975 561 Y HN 0.040 nan 8.280 nan 0.000 0.498 562 I N -0.264 120.402 120.570 0.160 0.000 2.264 562 I HA -0.336 3.839 4.170 0.008 0.000 0.248 562 I C 2.077 178.200 176.117 0.010 0.000 1.111 562 I CA 1.563 62.900 61.300 0.061 0.000 1.382 562 I CB -0.501 37.563 38.000 0.107 0.000 1.060 562 I HN 0.239 nan 8.210 nan 0.000 0.418 563 Q N 0.126 119.959 119.800 0.056 0.000 2.472 563 Q HA -0.061 4.284 4.340 0.008 0.000 0.208 563 Q C 2.090 178.104 176.000 0.023 0.000 0.958 563 Q CA 0.755 56.590 55.803 0.053 0.000 0.932 563 Q CB 0.196 28.970 28.738 0.060 0.000 1.007 563 Q HN 0.659 nan 8.270 nan 0.000 0.508 564 M N -2.795 116.813 119.600 0.014 0.000 2.571 564 M HA 0.163 4.648 4.480 0.008 0.000 0.259 564 M C 1.348 177.604 176.300 -0.073 0.000 1.205 564 M CA 0.410 55.705 55.300 -0.008 0.000 1.138 564 M CB 0.155 32.768 32.600 0.022 0.000 1.329 564 M HN 0.126 nan 8.290 nan 0.000 0.503 565 L N 1.443 122.608 121.223 -0.096 0.000 2.084 565 L HA 0.146 4.491 4.340 0.008 0.000 0.202 565 L C 2.315 179.065 176.870 -0.199 0.000 1.074 565 L CA 1.664 56.401 54.840 -0.170 0.000 0.757 565 L CB -0.403 41.573 42.059 -0.138 0.000 0.918 565 L HN 0.251 nan 8.230 nan 0.000 0.444 566 M N -0.217 119.222 119.600 -0.267 0.000 2.132 566 M HA -0.026 4.459 4.480 0.008 0.000 0.263 566 M C -0.044 176.080 176.300 -0.293 0.000 1.065 566 M CA 1.467 56.500 55.300 -0.444 0.000 1.122 566 M CB -2.261 29.699 32.600 -1.066 0.000 1.365 566 M HN 0.109 nan 8.290 nan 0.000 0.411 567 P HA -0.140 nan 4.420 nan 0.000 0.216 567 P C -1.310 176.009 177.300 0.032 0.000 1.157 567 P CA 1.887 64.972 63.100 -0.024 0.000 0.880 567 P CB -1.422 30.287 31.700 0.016 0.000 0.791 568 P HA -0.022 nan 4.420 nan 0.000 0.224 568 P C 1.676 179.152 177.300 0.293 0.000 1.157 568 P CA 1.010 64.230 63.100 0.200 0.000 0.799 568 P CB -0.296 31.582 31.700 0.297 0.000 0.809 569 L N -0.635 120.725 121.223 0.228 0.000 2.027 569 L HA -0.111 4.234 4.340 0.008 0.000 0.206 569 L C 2.754 179.688 176.870 0.107 0.000 1.074 569 L CA 1.361 56.300 54.840 0.164 0.000 0.745 569 L CB -0.687 41.377 42.059 0.010 0.000 0.898 569 L HN -0.155 nan 8.230 nan 0.000 0.433 570 I N -0.880 119.727 120.570 0.062 0.000 2.315 570 I HA -0.298 3.877 4.170 0.008 0.000 0.248 570 I C 2.635 178.859 176.117 0.179 0.000 1.117 570 I CA 1.059 62.437 61.300 0.130 0.000 1.404 570 I CB -0.211 37.827 38.000 0.062 0.000 1.071 570 I HN 0.382 nan 8.210 nan 0.000 0.419 571 Q N 0.659 120.534 119.800 0.125 0.000 2.133 571 Q HA -0.294 4.051 4.340 0.008 0.000 0.208 571 Q C 2.147 178.208 176.000 0.102 0.000 0.991 571 Q CA 1.873 57.738 55.803 0.104 0.000 0.867 571 Q CB -0.029 28.761 28.738 0.086 0.000 0.911 571 Q HN 0.477 nan 8.270 nan 0.000 0.417 572 K N -0.466 120.002 120.400 0.114 0.000 2.116 572 K HA -0.114 4.212 4.320 0.008 0.000 0.203 572 K C 1.654 178.354 176.600 0.167 0.000 1.052 572 K CA 0.689 57.040 56.287 0.107 0.000 0.952 572 K CB -0.231 32.314 32.500 0.075 0.000 0.729 572 K HN 0.365 nan 8.250 nan 0.000 0.446 573 W N 2.011 123.319 121.300 0.014 0.000 2.341 573 W HA -0.201 4.462 4.660 0.005 0.000 0.283 573 W C 0.439 176.970 176.519 0.020 0.000 1.215 573 W CA 1.252 58.609 57.345 0.020 0.000 1.211 573 W CB 0.117 29.594 29.460 0.027 0.000 1.131 573 W HN 0.154 nan 8.180 nan 0.000 0.552 574 N N -0.553 118.195 118.700 0.081 0.000 2.236 574 N HA -0.030 4.715 4.740 0.008 0.000 0.196 574 N C 1.578 177.069 175.510 -0.031 0.000 1.114 574 N CA 0.505 53.550 53.050 -0.008 0.000 0.859 574 N CB -0.187 38.340 38.487 0.067 0.000 0.982 574 N HN 0.250 nan 8.380 nan 0.000 0.493 575 M N 0.113 119.704 119.600 -0.016 0.000 2.552 575 M HA 0.170 4.656 4.480 0.008 0.000 0.264 575 M C -0.192 176.084 176.300 -0.041 0.000 1.159 575 M CA 0.398 55.689 55.300 -0.015 0.000 1.176 575 M CB 0.378 32.984 32.600 0.010 0.000 1.327 575 M HN -0.115 nan 8.290 nan 0.000 0.481 576 L N 3.360 124.544 121.223 -0.065 0.000 2.455 576 L HA 0.084 4.429 4.340 0.008 0.000 0.272 576 L C 0.138 176.936 176.870 -0.121 0.000 1.174 576 L CA -0.201 54.594 54.840 -0.074 0.000 0.869 576 L CB 0.123 42.137 42.059 -0.075 0.000 1.130 576 L HN 0.057 nan 8.230 nan 0.000 0.474 577 K N 3.299 123.650 120.400 -0.081 0.000 2.349 577 K HA 0.033 4.358 4.320 0.008 0.000 0.289 577 K C 0.672 177.202 176.600 -0.115 0.000 1.064 577 K CA -0.146 56.088 56.287 -0.087 0.000 0.947 577 K CB 0.801 33.272 32.500 -0.049 0.000 1.007 577 K HN 0.496 nan 8.250 nan 0.000 0.478 578 D N 2.180 122.490 120.400 -0.150 0.000 2.407 578 D HA -0.219 4.426 4.640 0.008 0.000 0.197 578 D C 0.012 176.208 176.300 -0.174 0.000 1.024 578 D CA 1.524 55.410 54.000 -0.190 0.000 0.924 578 D CB 0.456 41.162 40.800 -0.158 0.000 0.888 578 D HN 0.576 nan 8.370 nan 0.000 0.456 579 E N 0.926 121.072 120.200 -0.090 0.000 2.338 579 E HA 0.082 4.437 4.350 0.008 0.000 0.231 579 E C -0.168 176.421 176.600 -0.018 0.000 1.231 579 E CA -0.195 56.191 56.400 -0.025 0.000 1.490 579 E CB 0.328 30.035 29.700 0.010 0.000 1.360 579 E HN 0.127 nan 8.360 nan 0.000 0.435 580 D N 1.360 121.719 120.400 -0.068 0.000 2.163 580 D HA 0.059 4.704 4.640 0.008 0.000 0.248 580 D C 0.963 177.256 176.300 -0.013 0.000 1.035 580 D CA -0.411 53.562 54.000 -0.046 0.000 0.872 580 D CB 1.959 42.727 40.800 -0.053 0.000 1.183 580 D HN -0.171 nan 8.370 nan 0.000 0.445 581 K N 2.052 122.438 120.400 -0.024 0.000 2.057 581 K HA -0.152 4.173 4.320 0.008 0.000 0.207 581 K C 0.963 177.574 176.600 0.018 0.000 1.049 581 K CA 1.593 57.881 56.287 0.002 0.000 0.931 581 K CB -0.210 32.239 32.500 -0.085 0.000 0.714 581 K HN 0.291 nan 8.250 nan 0.000 0.440 582 D N -0.261 120.115 120.400 -0.040 0.000 2.265 582 D HA -0.124 4.521 4.640 0.008 0.000 0.208 582 D C 1.548 177.937 176.300 0.148 0.000 0.977 582 D CA 0.548 54.550 54.000 0.003 0.000 0.871 582 D CB -0.036 40.787 40.800 0.037 0.000 0.925 582 D HN 0.160 nan 8.370 nan 0.000 0.485 583 L N -0.656 120.617 121.223 0.085 0.000 2.093 583 L HA -0.023 4.322 4.340 0.008 0.000 0.208 583 L C 1.879 178.841 176.870 0.153 0.000 1.085 583 L CA 1.214 56.086 54.840 0.053 0.000 0.755 583 L CB -0.548 41.387 42.059 -0.207 0.000 0.904 583 L HN 0.018 nan 8.230 nan 0.000 0.435 584 F N 1.198 121.192 119.950 0.075 0.000 2.069 584 F HA -0.134 4.403 4.527 0.016 0.000 0.298 584 F C -0.556 175.383 175.800 0.232 0.000 1.113 584 F CA 1.783 59.916 58.000 0.221 0.000 1.214 584 F CB -1.294 37.943 39.000 0.395 0.000 0.978 584 F HN 0.162 nan 8.300 nan 0.000 0.474 585 P HA -0.091 nan 4.420 nan 0.000 0.225 585 P C 1.741 179.301 177.300 0.433 0.000 1.156 585 P CA 0.787 64.118 63.100 0.385 0.000 0.787 585 P CB -0.061 31.841 31.700 0.337 0.000 0.802 586 L N -0.814 120.727 121.223 0.531 0.000 2.093 586 L HA -0.056 4.289 4.340 0.008 0.000 0.208 586 L C 2.174 179.160 176.870 0.194 0.000 1.085 586 L CA 1.570 56.651 54.840 0.402 0.000 0.755 586 L CB -1.487 40.887 42.059 0.525 0.000 0.904 586 L HN -0.125 nan 8.230 nan 0.000 0.435 587 L N -0.727 120.625 121.223 0.215 0.000 1.994 587 L HA -0.234 4.111 4.340 0.008 0.000 0.208 587 L C 2.551 179.367 176.870 -0.090 0.000 1.071 587 L CA 1.588 56.455 54.840 0.045 0.000 0.745 587 L CB -0.423 41.653 42.059 0.027 0.000 0.892 587 L HN 0.315 nan 8.230 nan 0.000 0.431 588 E N -1.120 119.013 120.200 -0.112 0.000 2.110 588 E HA -0.280 4.075 4.350 0.008 0.000 0.193 588 E C 2.266 178.845 176.600 -0.035 0.000 0.988 588 E CA 1.469 57.807 56.400 -0.103 0.000 0.804 588 E CB -0.257 29.390 29.700 -0.089 0.000 0.745 588 E HN 0.620 nan 8.360 nan 0.000 0.458 589 C N 0.726 120.034 119.300 0.014 0.000 2.473 589 C HA -0.102 4.363 4.460 0.008 0.000 0.279 589 C C 2.614 177.571 174.990 -0.055 0.000 1.250 589 C CA 0.567 59.593 59.018 0.013 0.000 1.713 589 C CB -1.042 26.724 27.740 0.043 0.000 2.066 589 C HN 0.353 nan 8.230 nan 0.000 0.474 590 L N 1.015 122.173 121.223 -0.110 0.000 2.079 590 L HA -0.135 4.210 4.340 0.008 0.000 0.210 590 L C 2.985 179.733 176.870 -0.203 0.000 1.081 590 L CA 1.996 56.743 54.840 -0.156 0.000 0.752 590 L CB -0.735 41.147 42.059 -0.294 0.000 0.896 590 L HN 0.489 nan 8.230 nan 0.000 0.433 591 S N -1.013 114.574 115.700 -0.189 0.000 2.400 591 S HA -0.187 4.288 4.470 0.008 0.000 0.232 591 S C 2.180 176.687 174.600 -0.155 0.000 1.025 591 S CA 1.761 59.849 58.200 -0.188 0.000 0.993 591 S CB -0.066 63.052 63.200 -0.137 0.000 0.808 591 S HN 0.428 nan 8.310 nan 0.000 0.478 592 S N 0.369 116.007 115.700 -0.103 0.000 2.371 592 S HA -0.007 4.468 4.470 0.008 0.000 0.224 592 S C 1.879 176.435 174.600 -0.074 0.000 1.029 592 S CA 1.163 59.322 58.200 -0.069 0.000 0.978 592 S CB -0.316 62.867 63.200 -0.029 0.000 0.833 592 S HN 0.425 nan 8.310 nan 0.000 0.466 593 V N 2.209 122.078 119.914 -0.075 0.000 2.295 593 V HA -0.169 3.956 4.120 0.008 0.000 0.246 593 V C 2.664 178.715 176.094 -0.071 0.000 1.049 593 V CA 1.708 63.991 62.300 -0.029 0.000 1.024 593 V CB -1.222 30.620 31.823 0.030 0.000 0.648 593 V HN 0.528 nan 8.190 nan 0.000 0.447 594 A N -0.312 122.308 122.820 -0.334 0.000 2.024 594 A HA -0.220 4.105 4.320 0.008 0.000 0.220 594 A C 2.346 179.750 177.584 -0.300 0.000 1.164 594 A CA 2.417 54.032 52.037 -0.703 0.000 0.643 594 A CB -0.836 17.360 19.000 -1.340 0.000 0.806 594 A HN 0.526 nan 8.150 nan 0.000 0.451 595 T N -0.378 114.062 114.554 -0.189 0.000 2.904 595 T HA 0.153 4.508 4.350 0.008 0.000 0.267 595 T C 2.121 176.802 174.700 -0.032 0.000 1.059 595 T CA 1.233 63.276 62.100 -0.095 0.000 1.137 595 T CB -0.168 68.653 68.868 -0.079 0.000 0.879 595 T HN 0.570 nan 8.240 nan 0.000 0.467 596 A N 0.944 123.755 122.820 -0.014 0.000 1.911 596 A HA 0.249 4.574 4.320 0.008 0.000 0.212 596 A C 1.514 179.138 177.584 0.066 0.000 1.189 596 A CA 0.542 52.596 52.037 0.029 0.000 0.639 596 A CB -0.435 18.580 19.000 0.025 0.000 0.839 596 A HN 0.344 nan 8.150 nan 0.000 0.449 597 L N 1.120 122.394 121.223 0.085 0.000 2.873 597 L HA 0.082 4.427 4.340 0.008 0.000 0.252 597 L C 1.501 178.460 176.870 0.149 0.000 1.266 597 L CA 0.454 55.383 54.840 0.149 0.000 1.111 597 L CB -1.458 40.749 42.059 0.247 0.000 1.440 597 L HN 0.527 nan 8.230 nan 0.000 0.427 598 Q N 0.503 120.357 119.800 0.091 0.000 1.807 598 Q HA -0.385 3.960 4.340 0.008 0.000 0.426 598 Q C 2.209 178.273 176.000 0.107 0.000 1.040 598 Q CA 3.361 59.206 55.803 0.070 0.000 0.868 598 Q CB -0.472 28.297 28.738 0.051 0.000 0.956 598 Q HN 0.605 nan 8.270 nan 0.000 0.419 599 S N -1.631 114.126 115.700 0.096 0.000 2.453 599 S HA 0.043 4.518 4.470 0.008 0.000 0.231 599 S C 1.866 176.544 174.600 0.130 0.000 1.005 599 S CA 0.677 58.937 58.200 0.100 0.000 0.949 599 S CB -0.497 62.742 63.200 0.064 0.000 0.774 599 S HN 0.611 nan 8.310 nan 0.000 0.510 600 G N 0.340 109.227 108.800 0.146 0.000 2.535 600 G HA2 -0.104 3.861 3.960 0.008 0.000 0.218 600 G HA3 -0.104 3.861 3.960 0.008 0.000 0.218 600 G C 0.908 175.951 174.900 0.238 0.000 1.122 600 G CA 0.271 45.467 45.100 0.160 0.000 0.769 600 G HN 0.554 nan 8.290 nan 0.000 0.549 601 F N 0.211 120.234 119.950 0.122 0.000 2.780 601 F HA 0.237 4.770 4.527 0.009 0.000 0.299 601 F C 2.101 178.001 175.800 0.167 0.000 1.146 601 F CA -0.197 57.910 58.000 0.179 0.000 1.428 601 F CB 0.193 39.248 39.000 0.093 0.000 1.115 601 F HN 0.066 nan 8.300 nan 0.000 0.583 602 L N 1.932 123.255 121.223 0.167 0.000 2.013 602 L HA -0.136 4.209 4.340 0.008 0.000 0.212 602 L C -0.682 176.113 176.870 -0.125 0.000 1.073 602 L CA 2.270 57.141 54.840 0.052 0.000 0.753 602 L CB -1.995 40.081 42.059 0.029 0.000 0.890 602 L HN -0.035 nan 8.230 nan 0.000 0.432 603 P HA -0.155 nan 4.420 nan 0.000 0.226 603 P C 0.388 177.290 177.300 -0.664 0.000 1.146 603 P CA 1.545 64.290 63.100 -0.591 0.000 0.773 603 P CB -0.131 30.990 31.700 -0.965 0.000 0.772 604 Y N -2.736 117.403 120.300 -0.269 0.000 2.500 604 Y HA 0.093 4.649 4.550 0.009 0.000 0.246 604 Y C 2.311 178.058 175.900 -0.255 0.000 1.146 604 Y CA -0.356 57.525 58.100 -0.364 0.000 1.230 604 Y CB -0.869 37.182 38.460 -0.682 0.000 1.214 604 Y HN 0.085 nan 8.280 nan 0.000 0.526 605 C N -0.893 118.424 119.300 0.028 0.000 2.450 605 C HA -0.053 4.412 4.460 0.008 0.000 0.279 605 C C 2.244 177.364 174.990 0.216 0.000 1.335 605 C CA 0.464 59.637 59.018 0.259 0.000 1.749 605 C CB -0.767 27.170 27.740 0.328 0.000 1.963 605 C HN 0.498 nan 8.230 nan 0.000 0.501 606 E N 2.549 122.821 120.200 0.119 0.000 2.082 606 E HA -0.217 4.138 4.350 0.008 0.000 0.215 606 E C -0.253 176.474 176.600 0.211 0.000 1.048 606 E CA 3.202 59.675 56.400 0.121 0.000 0.869 606 E CB -0.701 29.036 29.700 0.061 0.000 0.773 606 E HN 0.586 nan 8.360 nan 0.000 0.466 607 P HA -0.059 nan 4.420 nan 0.000 0.222 607 P C 1.298 178.884 177.300 0.477 0.000 1.153 607 P CA 0.890 64.172 63.100 0.302 0.000 0.798 607 P CB 0.164 32.045 31.700 0.302 0.000 0.796 608 V N -0.331 119.810 119.914 0.378 0.000 2.270 608 V HA -0.255 3.870 4.120 0.008 0.000 0.245 608 V C 2.637 178.945 176.094 0.358 0.000 1.043 608 V CA 1.835 64.313 62.300 0.298 0.000 1.014 608 V CB -1.616 30.240 31.823 0.056 0.000 0.645 608 V HN -0.010 nan 8.190 nan 0.000 0.447 609 Y N 0.856 121.273 120.300 0.194 0.000 2.097 609 Y HA -0.279 4.277 4.550 0.009 0.000 0.282 609 Y C 2.797 178.789 175.900 0.152 0.000 1.152 609 Y CA 2.101 60.290 58.100 0.148 0.000 1.136 609 Y CB -0.203 38.326 38.460 0.115 0.000 0.975 609 Y HN 0.225 nan 8.280 nan 0.000 0.498 610 Q N -0.042 119.997 119.800 0.399 0.000 2.084 610 Q HA -0.243 4.102 4.340 0.008 0.000 0.202 610 Q C 2.421 178.497 176.000 0.127 0.000 0.978 610 Q CA 1.835 57.797 55.803 0.266 0.000 0.844 610 Q CB -0.342 28.545 28.738 0.248 0.000 0.898 610 Q HN 0.502 nan 8.270 nan 0.000 0.426 611 R N 0.025 120.635 120.500 0.183 0.000 2.115 611 R HA -0.076 4.269 4.340 0.008 0.000 0.226 611 R C 2.300 178.647 176.300 0.078 0.000 1.100 611 R CA 1.068 57.226 56.100 0.098 0.000 0.980 611 R CB -0.193 30.144 30.300 0.062 0.000 0.875 611 R HN 0.206 nan 8.270 nan 0.000 0.445 612 C N -0.427 118.952 119.300 0.132 0.000 2.432 612 C HA -0.044 4.421 4.460 0.008 0.000 0.277 612 C C 2.575 177.532 174.990 -0.055 0.000 1.249 612 C CA 0.615 59.663 59.018 0.051 0.000 1.725 612 C CB -0.574 27.172 27.740 0.010 0.000 2.028 612 C HN 0.371 nan 8.230 nan 0.000 0.477 613 V N 1.447 121.272 119.914 -0.147 0.000 2.255 613 V HA -0.245 3.880 4.120 0.008 0.000 0.247 613 V C 2.157 178.223 176.094 -0.047 0.000 1.051 613 V CA 2.430 64.649 62.300 -0.135 0.000 1.018 613 V CB -0.878 30.838 31.823 -0.177 0.000 0.641 613 V HN 0.505 nan 8.190 nan 0.000 0.445 614 N N -0.323 118.362 118.700 -0.025 0.000 2.137 614 N HA -0.187 4.558 4.740 0.008 0.000 0.190 614 N C 1.512 177.010 175.510 -0.021 0.000 1.017 614 N CA 1.323 54.362 53.050 -0.017 0.000 0.859 614 N CB -0.361 38.114 38.487 -0.020 0.000 1.002 614 N HN 0.359 nan 8.380 nan 0.000 0.428 615 L N -0.405 120.805 121.223 -0.022 0.000 2.109 615 L HA -0.050 4.295 4.340 0.008 0.000 0.207 615 L C 1.858 178.740 176.870 0.019 0.000 1.086 615 L CA 0.743 55.577 54.840 -0.011 0.000 0.760 615 L CB -0.132 41.920 42.059 -0.011 0.000 0.910 615 L HN -0.006 nan 8.230 nan 0.000 0.437 616 V N -0.972 118.948 119.914 0.010 0.000 2.261 616 V HA -0.347 3.778 4.120 0.008 0.000 0.246 616 V C 2.379 178.481 176.094 0.014 0.000 1.047 616 V CA 1.970 64.279 62.300 0.015 0.000 1.015 616 V CB -0.700 31.121 31.823 -0.004 0.000 0.642 616 V HN 0.515 nan 8.190 nan 0.000 0.446 617 Q N 0.232 120.035 119.800 0.005 0.000 1.985 617 Q HA -0.288 4.057 4.340 0.008 0.000 0.207 617 Q C 2.389 178.392 176.000 0.005 0.000 0.996 617 Q CA 2.315 58.122 55.803 0.006 0.000 0.851 617 Q CB -0.166 28.573 28.738 0.002 0.000 0.921 617 Q HN 0.573 nan 8.270 nan 0.000 0.418 618 K N -0.763 119.637 120.400 0.000 0.000 2.089 618 K HA -0.176 4.149 4.320 0.008 0.000 0.210 618 K C 2.104 178.708 176.600 0.008 0.000 1.048 618 K CA 1.962 58.246 56.287 -0.004 0.000 0.926 618 K CB -0.236 32.258 32.500 -0.009 0.000 0.714 618 K HN 0.335 nan 8.250 nan 0.000 0.448 619 T N 1.714 116.287 114.554 0.031 0.000 2.821 619 T HA -0.092 4.263 4.350 0.008 0.000 0.267 619 T C 1.900 176.614 174.700 0.023 0.000 1.046 619 T CA 0.948 63.076 62.100 0.047 0.000 1.139 619 T CB -0.163 68.754 68.868 0.083 0.000 0.871 619 T HN 0.093 nan 8.240 nan 0.000 0.454 620 L N 0.830 122.063 121.223 0.017 0.000 1.994 620 L HA -0.083 4.262 4.340 0.008 0.000 0.208 620 L C 3.124 179.997 176.870 0.005 0.000 1.071 620 L CA 1.325 56.172 54.840 0.012 0.000 0.745 620 L CB -0.793 41.275 42.059 0.015 0.000 0.892 620 L HN 0.246 nan 8.230 nan 0.000 0.431 621 A N -0.395 122.423 122.820 -0.003 0.000 1.873 621 A HA -0.321 4.004 4.320 0.008 0.000 0.218 621 A C 2.198 179.761 177.584 -0.034 0.000 1.193 621 A CA 2.094 54.121 52.037 -0.016 0.000 0.629 621 A CB -0.737 18.247 19.000 -0.026 0.000 0.826 621 A HN 0.524 nan 8.150 nan 0.000 0.447 622 Q N -0.996 118.779 119.800 -0.041 0.000 2.135 622 Q HA -0.146 4.199 4.340 0.008 0.000 0.204 622 Q C 2.366 178.350 176.000 -0.027 0.000 0.981 622 Q CA 1.441 57.209 55.803 -0.059 0.000 0.856 622 Q CB -0.382 28.333 28.738 -0.038 0.000 0.902 622 Q HN 0.722 nan 8.270 nan 0.000 0.425 623 A N 0.339 123.155 122.820 -0.006 0.000 1.968 623 A HA -0.119 4.206 4.320 0.008 0.000 0.217 623 A C 1.978 179.572 177.584 0.017 0.000 1.169 623 A CA 0.915 52.956 52.037 0.006 0.000 0.638 623 A CB -0.307 18.696 19.000 0.005 0.000 0.812 623 A HN 0.254 nan 8.150 nan 0.000 0.446 624 M N -0.511 119.098 119.600 0.016 0.000 2.064 624 M HA -0.080 4.405 4.480 0.008 0.000 0.260 624 M C 2.105 178.439 176.300 0.056 0.000 1.073 624 M CA 1.494 56.812 55.300 0.030 0.000 1.124 624 M CB -0.616 31.999 32.600 0.025 0.000 1.326 624 M HN 0.351 nan 8.290 nan 0.000 0.410 625 L N 0.203 121.456 121.223 0.050 0.000 2.051 625 L HA -0.299 4.046 4.340 0.008 0.000 0.214 625 L C 2.207 179.203 176.870 0.211 0.000 1.076 625 L CA 1.720 56.643 54.840 0.139 0.000 0.758 625 L CB -1.014 40.983 42.059 -0.104 0.000 0.890 625 L HN 0.452 nan 8.230 nan 0.000 0.433 626 N N 0.001 118.769 118.700 0.113 0.000 2.309 626 N HA -0.212 4.533 4.740 0.008 0.000 0.182 626 N C 1.634 177.192 175.510 0.080 0.000 1.018 626 N CA 1.156 54.271 53.050 0.108 0.000 0.876 626 N CB -0.119 38.403 38.487 0.059 0.000 0.972 626 N HN 0.279 nan 8.380 nan 0.000 0.434 627 N N -0.555 118.183 118.700 0.064 0.000 2.250 627 N HA -0.076 4.669 4.740 0.008 0.000 0.181 627 N C 1.523 177.062 175.510 0.049 0.000 1.017 627 N CA 0.928 54.006 53.050 0.047 0.000 0.866 627 N CB -0.037 38.472 38.487 0.036 0.000 0.985 627 N HN 0.328 nan 8.380 nan 0.000 0.429 628 A N 0.677 123.536 122.820 0.066 0.000 1.855 628 A HA -0.039 4.286 4.320 0.008 0.000 0.215 628 A C 0.878 178.484 177.584 0.037 0.000 1.191 628 A CA 1.105 53.175 52.037 0.055 0.000 0.613 628 A CB -0.058 18.986 19.000 0.074 0.000 0.829 628 A HN 0.360 nan 8.150 nan 0.000 0.442 629 Q N -0.868 118.965 119.800 0.056 0.000 2.700 629 Q HA 0.252 4.597 4.340 0.008 0.000 0.249 629 Q C -2.327 173.698 176.000 0.042 0.000 1.033 629 Q CA -1.751 54.054 55.803 0.004 0.000 0.804 629 Q CB 1.133 29.799 28.738 -0.121 0.000 1.164 629 Q HN 0.311 nan 8.270 nan 0.000 0.500 630 P HA -0.207 nan 4.420 nan 0.000 0.219 630 P C 0.851 178.171 177.300 0.034 0.000 1.146 630 P CA 1.417 64.539 63.100 0.038 0.000 0.808 630 P CB 0.434 32.147 31.700 0.023 0.000 0.779 631 D N -0.974 119.435 120.400 0.015 0.000 2.232 631 D HA -0.126 4.519 4.640 0.008 0.000 0.220 631 D C 1.955 178.261 176.300 0.011 0.000 0.982 631 D CA 0.830 54.836 54.000 0.009 0.000 0.892 631 D CB -1.205 39.592 40.800 -0.005 0.000 1.040 631 D HN 0.098 nan 8.370 nan 0.000 0.463 632 Q N -0.691 119.086 119.800 -0.039 0.000 2.224 632 Q HA -0.058 4.287 4.340 0.008 0.000 0.203 632 Q C -0.084 175.941 176.000 0.042 0.000 0.970 632 Q CA 0.626 56.377 55.803 -0.086 0.000 0.865 632 Q CB 0.188 28.770 28.738 -0.261 0.000 0.922 632 Q HN 0.436 nan 8.270 nan 0.000 0.445 633 Y N 0.623 120.927 120.300 0.007 0.000 2.393 633 Y HA 0.311 4.866 4.550 0.008 0.000 0.341 633 Y C -0.311 175.593 175.900 0.006 0.000 0.988 633 Y CA -1.245 56.860 58.100 0.008 0.000 1.078 633 Y CB 1.574 40.039 38.460 0.008 0.000 1.203 633 Y HN -0.028 nan 8.280 nan 0.000 0.453 634 E N 1.845 122.141 120.200 0.159 0.000 2.231 634 E HA 0.469 4.824 4.350 0.008 0.000 0.277 634 E C -0.760 175.861 176.600 0.036 0.000 0.999 634 E CA -0.808 55.636 56.400 0.073 0.000 0.827 634 E CB 1.683 31.413 29.700 0.050 0.000 1.101 634 E HN 0.659 nan 8.360 nan 0.000 0.393 635 A N 4.037 126.872 122.820 0.024 0.000 2.445 635 A HA 0.321 4.646 4.320 0.008 0.000 0.242 635 A C -1.967 175.612 177.584 -0.008 0.000 1.075 635 A CA -0.810 51.230 52.037 0.005 0.000 0.777 635 A CB -0.290 18.708 19.000 -0.003 0.000 1.013 635 A HN 0.380 nan 8.150 nan 0.000 0.493 636 P HA 0.393 nan 4.420 nan 0.000 0.286 636 P C -1.320 175.938 177.300 -0.070 0.000 1.292 636 P CA -0.580 62.512 63.100 -0.014 0.000 0.842 636 P CB 0.845 32.556 31.700 0.019 0.000 1.207 637 D N 0.087 120.396 120.400 -0.151 0.000 2.411 637 D HA 0.108 4.753 4.640 0.008 0.000 0.225 637 D C 0.845 177.019 176.300 -0.210 0.000 1.156 637 D CA -0.158 53.664 54.000 -0.296 0.000 0.874 637 D CB 0.424 40.836 40.800 -0.646 0.000 1.034 637 D HN 0.139 nan 8.370 nan 0.000 0.502 638 K N 1.861 122.202 120.400 -0.098 0.000 2.442 638 K HA -0.102 4.223 4.320 0.008 0.000 0.198 638 K C 0.746 177.362 176.600 0.026 0.000 1.044 638 K CA 0.651 56.928 56.287 -0.017 0.000 0.948 638 K CB 0.359 32.849 32.500 -0.017 0.000 0.762 638 K HN 0.418 nan 8.250 nan 0.000 0.472 639 D N 0.267 120.659 120.400 -0.013 0.000 2.219 639 D HA -0.131 4.514 4.640 0.008 0.000 0.205 639 D C 1.446 177.967 176.300 0.369 0.000 0.970 639 D CA 0.915 55.003 54.000 0.147 0.000 0.851 639 D CB -0.061 40.800 40.800 0.101 0.000 0.943 639 D HN 0.107 nan 8.370 nan 0.000 0.488 640 F N 0.473 120.569 119.950 0.243 0.000 2.216 640 F HA -0.022 4.511 4.527 0.010 0.000 0.300 640 F C 2.354 178.206 175.800 0.087 0.000 1.085 640 F CA 0.411 58.526 58.000 0.190 0.000 1.326 640 F CB -0.683 38.403 39.000 0.142 0.000 1.027 640 F HN -0.026 nan 8.300 nan 0.000 0.497 641 M N -0.595 119.150 119.600 0.242 0.000 2.115 641 M HA -0.126 4.359 4.480 0.008 0.000 0.261 641 M C 2.288 178.640 176.300 0.086 0.000 1.079 641 M CA 1.517 56.894 55.300 0.127 0.000 1.143 641 M CB -0.363 32.285 32.600 0.079 0.000 1.332 641 M HN 0.018 nan 8.290 nan 0.000 0.421 642 I N -0.461 120.159 120.570 0.084 0.000 2.248 642 I HA -0.317 3.858 4.170 0.008 0.000 0.248 642 I C 2.174 178.317 176.117 0.044 0.000 1.107 642 I CA 1.145 62.478 61.300 0.056 0.000 1.373 642 I CB -0.478 37.562 38.000 0.067 0.000 1.055 642 I HN 0.125 nan 8.210 nan 0.000 0.418 643 V N 0.602 120.549 119.914 0.055 0.000 2.548 643 V HA -0.183 3.942 4.120 0.008 0.000 0.249 643 V C 2.611 178.690 176.094 -0.026 0.000 1.055 643 V CA 1.727 64.006 62.300 -0.035 0.000 1.065 643 V CB -0.555 31.142 31.823 -0.210 0.000 0.681 643 V HN 0.484 nan 8.190 nan 0.000 0.462 644 A N -0.349 122.486 122.820 0.024 0.000 1.930 644 A HA -0.114 4.211 4.320 0.008 0.000 0.217 644 A C 2.168 179.748 177.584 -0.007 0.000 1.175 644 A CA 1.491 53.542 52.037 0.025 0.000 0.627 644 A CB -0.411 18.617 19.000 0.047 0.000 0.815 644 A HN 0.496 nan 8.150 nan 0.000 0.443 645 L N -0.562 120.659 121.223 -0.003 0.000 2.093 645 L HA -0.156 4.189 4.340 0.008 0.000 0.208 645 L C 1.976 178.839 176.870 -0.013 0.000 1.085 645 L CA 1.280 56.112 54.840 -0.012 0.000 0.755 645 L CB -0.608 41.446 42.059 -0.008 0.000 0.904 645 L HN 0.307 nan 8.230 nan 0.000 0.435 646 D N 0.050 120.440 120.400 -0.016 0.000 2.117 646 D HA -0.169 4.476 4.640 0.008 0.000 0.198 646 D C 2.063 178.335 176.300 -0.045 0.000 0.982 646 D CA 0.963 54.948 54.000 -0.026 0.000 0.828 646 D CB -0.115 40.667 40.800 -0.030 0.000 0.967 646 D HN 0.124 nan 8.370 nan 0.000 0.464 647 L N 0.875 122.063 121.223 -0.059 0.000 2.046 647 L HA -0.106 4.239 4.340 0.008 0.000 0.208 647 L C 2.150 178.979 176.870 -0.069 0.000 1.077 647 L CA 1.384 56.171 54.840 -0.090 0.000 0.747 647 L CB -0.830 41.172 42.059 -0.095 0.000 0.896 647 L HN -0.001 nan 8.230 nan 0.000 0.432 648 L N -0.512 120.687 121.223 -0.040 0.000 2.012 648 L HA -0.233 4.112 4.340 0.008 0.000 0.210 648 L C 2.649 179.536 176.870 0.028 0.000 1.073 648 L CA 1.757 56.591 54.840 -0.010 0.000 0.748 648 L CB -0.760 41.268 42.059 -0.051 0.000 0.891 648 L HN 0.535 nan 8.230 nan 0.000 0.431 649 S N -0.779 114.932 115.700 0.018 0.000 2.453 649 S HA -0.057 4.418 4.470 0.008 0.000 0.231 649 S C 1.988 176.598 174.600 0.017 0.000 1.005 649 S CA 0.672 58.898 58.200 0.043 0.000 0.949 649 S CB -0.627 62.606 63.200 0.056 0.000 0.774 649 S HN 0.432 nan 8.310 nan 0.000 0.510 650 G N 1.676 110.458 108.800 -0.030 0.000 2.394 650 G HA2 -0.019 3.946 3.960 0.008 0.000 0.215 650 G HA3 -0.019 3.946 3.960 0.008 0.000 0.215 650 G C 1.303 176.152 174.900 -0.086 0.000 1.165 650 G CA 0.696 45.754 45.100 -0.070 0.000 0.784 650 G HN 0.418 nan 8.290 nan 0.000 0.535 651 L N 1.453 122.628 121.223 -0.080 0.000 2.017 651 L HA 0.151 4.496 4.340 0.008 0.000 0.208 651 L C 3.063 179.952 176.870 0.032 0.000 1.073 651 L CA 1.788 56.597 54.840 -0.052 0.000 0.745 651 L CB -0.779 41.300 42.059 0.034 0.000 0.894 651 L HN 0.255 nan 8.230 nan 0.000 0.432 652 A N -1.753 121.108 122.820 0.069 0.000 2.216 652 A HA -0.145 4.180 4.320 0.008 0.000 0.214 652 A C 2.232 179.861 177.584 0.075 0.000 1.160 652 A CA 1.423 53.515 52.037 0.092 0.000 0.725 652 A CB -0.375 18.694 19.000 0.115 0.000 0.784 652 A HN 0.499 nan 8.150 nan 0.000 0.472 653 E N -0.781 119.449 120.200 0.049 0.000 2.330 653 E HA 0.030 4.385 4.350 0.008 0.000 0.200 653 E C 1.988 178.606 176.600 0.030 0.000 0.922 653 E CA 0.869 57.298 56.400 0.048 0.000 0.935 653 E CB -0.120 29.603 29.700 0.038 0.000 0.917 653 E HN 0.433 nan 8.360 nan 0.000 0.491 654 G N 1.063 109.868 108.800 0.008 0.000 2.408 654 G HA2 -0.082 3.883 3.960 0.008 0.000 0.215 654 G HA3 -0.082 3.883 3.960 0.008 0.000 0.215 654 G C 1.590 176.516 174.900 0.042 0.000 1.156 654 G CA 0.298 45.404 45.100 0.010 0.000 0.793 654 G HN 0.182 nan 8.290 nan 0.000 0.535 655 L N 0.349 121.603 121.223 0.052 0.000 2.408 655 L HA 0.281 4.626 4.340 0.008 0.000 0.215 655 L C 1.824 178.729 176.870 0.058 0.000 1.081 655 L CA 0.140 55.021 54.840 0.069 0.000 0.840 655 L CB -0.520 41.591 42.059 0.086 0.000 1.002 655 L HN 0.207 nan 8.230 nan 0.000 0.468 656 G N 0.939 109.775 108.800 0.060 0.000 2.167 656 G HA2 -0.030 3.935 3.960 0.008 0.000 0.233 656 G HA3 -0.030 3.935 3.960 0.008 0.000 0.233 656 G C 0.993 175.927 174.900 0.058 0.000 0.493 656 G CA 0.756 45.893 45.100 0.063 0.000 1.034 656 G HN 0.666 nan 8.290 nan 0.000 0.410 657 G N 1.455 110.292 108.800 0.062 0.000 3.031 657 G HA2 -0.274 3.691 3.960 0.008 0.000 0.198 657 G HA3 -0.274 3.691 3.960 0.008 0.000 0.198 657 G C 1.186 176.115 174.900 0.047 0.000 1.242 657 G CA 0.555 45.689 45.100 0.056 0.000 0.878 657 G HN 0.643 nan 8.290 nan 0.000 0.493 658 N N 0.813 119.536 118.700 0.038 0.000 2.430 658 N HA 0.001 4.746 4.740 0.008 0.000 0.186 658 N C 1.974 177.489 175.510 0.009 0.000 1.032 658 N CA 1.332 54.397 53.050 0.025 0.000 0.893 658 N CB 0.223 38.726 38.487 0.028 0.000 0.957 658 N HN 0.643 nan 8.380 nan 0.000 0.442 659 I N 1.600 122.179 120.570 0.016 0.000 2.928 659 I HA -0.188 3.987 4.170 0.008 0.000 0.266 659 I C 1.994 178.082 176.117 -0.049 0.000 1.234 659 I CA 0.605 61.888 61.300 -0.028 0.000 1.483 659 I CB 0.071 38.084 38.000 0.020 0.000 1.097 659 I HN 0.019 nan 8.210 nan 0.000 0.455 660 E N 0.715 120.932 120.200 0.028 0.000 2.130 660 E HA -0.367 3.988 4.350 0.008 0.000 0.196 660 E C 2.025 178.627 176.600 0.002 0.000 0.998 660 E CA 1.955 58.416 56.400 0.102 0.000 0.806 660 E CB -0.659 29.152 29.700 0.185 0.000 0.738 660 E HN 0.644 nan 8.360 nan 0.000 0.459 661 Q N 0.232 120.009 119.800 -0.037 0.000 2.119 661 Q HA -0.079 4.266 4.340 0.008 0.000 0.201 661 Q C 2.247 178.147 176.000 -0.168 0.000 0.972 661 Q CA 1.421 57.176 55.803 -0.081 0.000 0.847 661 Q CB -0.038 28.670 28.738 -0.050 0.000 0.903 661 Q HN 0.488 nan 8.270 nan 0.000 0.433 662 L N -0.172 120.900 121.223 -0.252 0.000 2.093 662 L HA -0.127 4.218 4.340 0.008 0.000 0.208 662 L C 2.367 179.009 176.870 -0.381 0.000 1.085 662 L CA 0.512 55.087 54.840 -0.440 0.000 0.755 662 L CB -0.414 41.128 42.059 -0.862 0.000 0.904 662 L HN 0.100 nan 8.230 nan 0.000 0.435 663 V N 0.434 120.190 119.914 -0.263 0.000 2.307 663 V HA -0.262 3.863 4.120 0.008 0.000 0.245 663 V C 2.859 178.862 176.094 -0.151 0.000 1.045 663 V CA 1.803 64.071 62.300 -0.054 0.000 1.024 663 V CB -0.966 30.856 31.823 -0.000 0.000 0.651 663 V HN 0.460 nan 8.190 nan 0.000 0.449 664 A N 0.249 122.829 122.820 -0.400 0.000 1.908 664 A HA -0.210 4.115 4.320 0.008 0.000 0.218 664 A C 2.180 179.664 177.584 -0.167 0.000 1.181 664 A CA 1.667 53.429 52.037 -0.459 0.000 0.627 664 A CB -0.454 18.198 19.000 -0.579 0.000 0.818 664 A HN 0.551 nan 8.150 nan 0.000 0.445 665 R N 0.157 120.593 120.500 -0.107 0.000 2.449 665 R HA 0.154 4.499 4.340 0.008 0.000 0.262 665 R C -0.265 176.049 176.300 0.024 0.000 1.006 665 R CA 0.481 56.561 56.100 -0.035 0.000 1.104 665 R CB -0.106 30.175 30.300 -0.031 0.000 1.206 665 R HN 0.611 nan 8.270 nan 0.000 0.538 666 S N -1.329 114.400 115.700 0.049 0.000 2.632 666 S HA 0.312 4.787 4.470 0.008 0.000 0.289 666 S C 0.071 174.717 174.600 0.077 0.000 1.115 666 S CA -1.125 57.139 58.200 0.108 0.000 0.889 666 S CB 1.483 64.834 63.200 0.251 0.000 1.116 666 S HN -0.000 nan 8.310 nan 0.000 0.486 667 N N 0.677 119.418 118.700 0.068 0.000 2.421 667 N HA 0.141 4.886 4.740 0.008 0.000 0.201 667 N C 1.149 176.701 175.510 0.070 0.000 1.198 667 N CA 0.019 53.101 53.050 0.054 0.000 0.838 667 N CB -0.380 38.129 38.487 0.036 0.000 1.011 667 N HN 0.688 nan 8.380 nan 0.000 0.463 668 I N 0.362 120.986 120.570 0.091 0.000 2.208 668 I HA -0.263 3.913 4.170 0.008 0.000 0.245 668 I C 1.637 177.829 176.117 0.126 0.000 1.097 668 I CA 1.202 62.555 61.300 0.087 0.000 1.363 668 I CB 0.238 38.306 38.000 0.112 0.000 1.051 668 I HN 0.078 nan 8.210 nan 0.000 0.413 669 L N -0.188 121.134 121.223 0.166 0.000 2.093 669 L HA -0.179 4.166 4.340 0.008 0.000 0.208 669 L C 2.476 179.510 176.870 0.274 0.000 1.085 669 L CA 1.663 56.671 54.840 0.280 0.000 0.755 669 L CB -0.957 41.284 42.059 0.303 0.000 0.904 669 L HN 0.234 nan 8.230 nan 0.000 0.435 670 T N 0.010 114.649 114.554 0.142 0.000 2.746 670 T HA -0.147 4.208 4.350 0.008 0.000 0.267 670 T C 1.881 176.659 174.700 0.130 0.000 1.039 670 T CA 1.011 63.163 62.100 0.087 0.000 1.142 670 T CB -0.210 68.671 68.868 0.022 0.000 0.866 670 T HN 0.007 nan 8.240 nan 0.000 0.444 671 L N 0.673 121.960 121.223 0.107 0.000 2.046 671 L HA 0.067 4.412 4.340 0.008 0.000 0.208 671 L C 2.525 179.459 176.870 0.107 0.000 1.077 671 L CA 1.549 56.440 54.840 0.085 0.000 0.747 671 L CB -1.000 41.088 42.059 0.049 0.000 0.896 671 L HN 0.287 nan 8.230 nan 0.000 0.432 672 M N -2.586 117.100 119.600 0.143 0.000 2.080 672 M HA -0.310 4.175 4.480 0.008 0.000 0.260 672 M C 2.322 178.728 176.300 0.177 0.000 1.068 672 M CA 1.910 57.291 55.300 0.134 0.000 1.109 672 M CB -0.593 32.111 32.600 0.172 0.000 1.342 672 M HN 0.207 nan 8.290 nan 0.000 0.405 673 Y N 1.089 121.505 120.300 0.194 0.000 2.097 673 Y HA -0.355 4.200 4.550 0.009 0.000 0.282 673 Y C 2.505 178.427 175.900 0.038 0.000 1.152 673 Y CA 2.024 60.210 58.100 0.144 0.000 1.136 673 Y CB -0.212 38.244 38.460 -0.008 0.000 0.975 673 Y HN 0.247 nan 8.280 nan 0.000 0.498 674 Q N -1.097 118.869 119.800 0.278 0.000 2.096 674 Q HA -0.278 4.067 4.340 0.008 0.000 0.204 674 Q C 2.407 178.420 176.000 0.021 0.000 0.982 674 Q CA 1.881 57.777 55.803 0.155 0.000 0.850 674 Q CB -0.562 28.241 28.738 0.107 0.000 0.901 674 Q HN 0.544 nan 8.270 nan 0.000 0.422 675 C N 0.199 119.489 119.300 -0.016 0.000 2.411 675 C HA -0.124 4.341 4.460 0.008 0.000 0.279 675 C C 2.483 177.353 174.990 -0.200 0.000 1.288 675 C CA 0.696 59.660 59.018 -0.089 0.000 1.764 675 C CB -0.783 26.905 27.740 -0.087 0.000 1.974 675 C HN 0.521 nan 8.230 nan 0.000 0.498 676 M N -0.164 119.268 119.600 -0.280 0.000 2.492 676 M HA -0.114 4.371 4.480 0.008 0.000 0.262 676 M C 2.122 178.272 176.300 -0.249 0.000 1.090 676 M CA 1.262 56.294 55.300 -0.446 0.000 1.110 676 M CB -0.398 31.869 32.600 -0.555 0.000 1.407 676 M HN 0.456 nan 8.290 nan 0.000 0.470 677 Q N 0.045 119.749 119.800 -0.159 0.000 2.331 677 Q HA -0.014 4.331 4.340 0.008 0.000 0.203 677 Q C 0.523 176.486 176.000 -0.062 0.000 0.944 677 Q CA 0.171 55.932 55.803 -0.071 0.000 0.892 677 Q CB 0.081 28.827 28.738 0.014 0.000 0.983 677 Q HN 0.409 nan 8.270 nan 0.000 0.482 678 D N 0.952 121.302 120.400 -0.083 0.000 2.443 678 D HA -0.090 4.555 4.640 0.008 0.000 0.234 678 D C 0.444 176.691 176.300 -0.088 0.000 1.172 678 D CA 0.585 54.542 54.000 -0.071 0.000 0.878 678 D CB 0.876 41.630 40.800 -0.077 0.000 1.204 678 D HN 0.019 nan 8.370 nan 0.000 0.453 679 K N 1.669 122.030 120.400 -0.066 0.000 2.288 679 K HA -0.031 4.295 4.320 0.008 0.000 0.201 679 K C 1.029 177.566 176.600 -0.105 0.000 1.048 679 K CA 0.472 56.715 56.287 -0.073 0.000 0.956 679 K CB 0.108 32.588 32.500 -0.034 0.000 0.746 679 K HN 0.429 nan 8.250 nan 0.000 0.461 680 M N 1.714 121.259 119.600 -0.093 0.000 2.105 680 M HA 0.100 4.585 4.480 0.008 0.000 0.350 680 M C -2.173 174.050 176.300 -0.130 0.000 1.308 680 M CA -2.414 52.833 55.300 -0.088 0.000 1.108 680 M CB 1.107 33.677 32.600 -0.050 0.000 1.622 680 M HN -0.170 nan 8.290 nan 0.000 0.468 681 P HA -0.189 nan 4.420 nan 0.000 0.215 681 P C 0.415 177.669 177.300 -0.077 0.000 1.157 681 P CA 1.569 64.548 63.100 -0.201 0.000 0.874 681 P CB 0.193 31.815 31.700 -0.130 0.000 0.790 682 E N -0.840 119.343 120.200 -0.030 0.000 2.130 682 E HA -0.141 4.215 4.350 0.008 0.000 0.196 682 E C 1.944 178.531 176.600 -0.021 0.000 0.998 682 E CA 1.023 57.421 56.400 -0.003 0.000 0.806 682 E CB -1.065 28.642 29.700 0.013 0.000 0.738 682 E HN 0.047 nan 8.360 nan 0.000 0.459 683 V N 0.793 120.678 119.914 -0.048 0.000 2.358 683 V HA -0.238 3.887 4.120 0.008 0.000 0.246 683 V C 2.136 178.156 176.094 -0.122 0.000 1.047 683 V CA 1.823 64.084 62.300 -0.064 0.000 1.035 683 V CB -0.431 31.355 31.823 -0.062 0.000 0.658 683 V HN 0.223 nan 8.190 nan 0.000 0.452 684 R N 0.143 120.548 120.500 -0.159 0.000 2.082 684 R HA -0.252 4.093 4.340 0.008 0.000 0.234 684 R C 2.422 178.589 176.300 -0.220 0.000 1.136 684 R CA 1.965 57.895 56.100 -0.285 0.000 0.935 684 R CB -0.700 29.480 30.300 -0.201 0.000 0.842 684 R HN 0.651 nan 8.270 nan 0.000 0.430 685 Q N 1.028 120.825 119.800 -0.004 0.000 2.082 685 Q HA -0.229 4.116 4.340 0.008 0.000 0.211 685 Q C 1.958 178.001 176.000 0.073 0.000 1.002 685 Q CA 2.547 58.416 55.803 0.111 0.000 0.868 685 Q CB -0.136 28.653 28.738 0.084 0.000 0.931 685 Q HN 0.203 nan 8.270 nan 0.000 0.414 686 S N 0.276 115.978 115.700 0.004 0.000 2.382 686 S HA -0.139 4.336 4.470 0.008 0.000 0.228 686 S C 2.064 176.662 174.600 -0.003 0.000 1.027 686 S CA 1.290 59.494 58.200 0.007 0.000 0.991 686 S CB -0.220 62.977 63.200 -0.005 0.000 0.823 686 S HN 0.694 nan 8.310 nan 0.000 0.469 687 S N 0.722 116.369 115.700 -0.089 0.000 2.414 687 S HA 0.091 4.566 4.470 0.008 0.000 0.227 687 S C 1.631 176.190 174.600 -0.068 0.000 1.022 687 S CA 0.408 58.537 58.200 -0.120 0.000 0.958 687 S CB -0.839 62.227 63.200 -0.223 0.000 0.797 687 S HN 0.522 nan 8.310 nan 0.000 0.493 688 F N 2.418 122.375 119.950 0.013 0.000 2.171 688 F HA -0.016 4.515 4.527 0.008 0.000 0.300 688 F C 2.983 178.851 175.800 0.113 0.000 1.090 688 F CA 0.576 58.590 58.000 0.023 0.000 1.293 688 F CB -0.458 38.567 39.000 0.042 0.000 1.013 688 F HN 0.322 nan 8.300 nan 0.000 0.486 689 A N 0.269 123.284 122.820 0.325 0.000 1.865 689 A HA -0.239 4.086 4.320 0.008 0.000 0.217 689 A C 2.015 179.786 177.584 0.311 0.000 1.191 689 A CA 1.680 53.916 52.037 0.332 0.000 0.623 689 A CB -1.130 17.959 19.000 0.148 0.000 0.826 689 A HN 0.340 nan 8.150 nan 0.000 0.444 690 L N -0.758 120.561 121.223 0.160 0.000 2.127 690 L HA -0.146 4.199 4.340 0.008 0.000 0.211 690 L C 2.221 179.141 176.870 0.083 0.000 1.089 690 L CA 1.991 56.896 54.840 0.109 0.000 0.757 690 L CB -0.718 41.371 42.059 0.050 0.000 0.899 690 L HN 0.392 nan 8.230 nan 0.000 0.434 691 L N -0.211 121.039 121.223 0.044 0.000 1.989 691 L HA -0.057 4.288 4.340 0.008 0.000 0.211 691 L C 2.394 179.216 176.870 -0.079 0.000 1.071 691 L CA 2.255 57.045 54.840 -0.082 0.000 0.749 691 L CB -1.525 40.447 42.059 -0.145 0.000 0.890 691 L HN 0.297 nan 8.230 nan 0.000 0.431 692 G N -1.258 107.490 108.800 -0.087 0.000 2.440 692 G HA2 -0.275 3.690 3.960 0.008 0.000 0.218 692 G HA3 -0.275 3.690 3.960 0.008 0.000 0.218 692 G C 1.339 176.158 174.900 -0.135 0.000 1.154 692 G CA 0.872 45.704 45.100 -0.447 0.000 0.767 692 G HN 0.459 nan 8.290 nan 0.000 0.552 693 D N 0.347 120.856 120.400 0.181 0.000 2.144 693 D HA -0.041 4.604 4.640 0.008 0.000 0.199 693 D C 2.630 179.000 176.300 0.117 0.000 0.984 693 D CA 0.517 54.642 54.000 0.209 0.000 0.834 693 D CB -0.053 40.876 40.800 0.216 0.000 0.955 693 D HN 0.295 nan 8.370 nan 0.000 0.465 694 L N 0.591 121.868 121.223 0.090 0.000 2.109 694 L HA -0.101 4.244 4.340 0.008 0.000 0.207 694 L C 2.526 179.466 176.870 0.117 0.000 1.086 694 L CA 0.878 55.778 54.840 0.100 0.000 0.760 694 L CB -0.479 41.634 42.059 0.091 0.000 0.910 694 L HN -0.022 nan 8.230 nan 0.000 0.437 695 T N -0.527 114.080 114.554 0.088 0.000 2.759 695 T HA -0.255 4.100 4.350 0.008 0.000 0.269 695 T C 1.960 176.704 174.700 0.074 0.000 1.042 695 T CA 1.439 63.633 62.100 0.157 0.000 1.140 695 T CB -0.071 68.783 68.868 -0.023 0.000 0.864 695 T HN 0.223 nan 8.240 nan 0.000 0.455 696 K N 0.179 120.588 120.400 0.016 0.000 2.116 696 K HA 0.174 4.499 4.320 0.008 0.000 0.203 696 K C 2.481 179.120 176.600 0.065 0.000 1.052 696 K CA 0.800 57.098 56.287 0.018 0.000 0.952 696 K CB -0.084 32.442 32.500 0.044 0.000 0.729 696 K HN 0.275 nan 8.250 nan 0.000 0.446 697 A N 0.364 123.239 122.820 0.091 0.000 1.878 697 A HA -0.048 4.277 4.320 0.008 0.000 0.213 697 A C 1.206 178.853 177.584 0.104 0.000 1.192 697 A CA 1.065 53.159 52.037 0.094 0.000 0.619 697 A CB -0.041 19.020 19.000 0.101 0.000 0.837 697 A HN 0.531 nan 8.150 nan 0.000 0.446 698 C N -3.818 115.562 119.300 0.133 0.000 3.392 698 C HA 0.569 5.034 4.460 0.008 0.000 0.217 698 C C 0.763 175.832 174.990 0.132 0.000 1.222 698 C CA -0.987 58.108 59.018 0.129 0.000 1.200 698 C CB -1.705 26.142 27.740 0.178 0.000 1.818 698 C HN 0.385 nan 8.230 nan 0.000 0.586 699 F N 3.302 123.245 119.950 -0.011 0.000 2.269 699 F HA -0.153 4.378 4.527 0.008 0.000 0.301 699 F C 2.679 178.456 175.800 -0.039 0.000 1.082 699 F CA 2.436 60.425 58.000 -0.018 0.000 1.360 699 F CB 0.207 39.191 39.000 -0.027 0.000 1.041 699 F HN 0.695 nan 8.300 nan 0.000 0.512 700 Q N -0.502 119.202 119.800 -0.160 0.000 2.248 700 Q HA -0.260 4.085 4.340 0.008 0.000 0.208 700 Q C 1.212 176.962 176.000 -0.417 0.000 0.984 700 Q CA 2.032 57.642 55.803 -0.322 0.000 0.875 700 Q CB -1.246 27.292 28.738 -0.333 0.000 0.910 700 Q HN 0.521 nan 8.270 nan 0.000 0.433 701 H N -0.309 118.695 119.070 -0.110 0.000 2.595 701 H HA 0.199 4.760 4.556 0.008 0.000 0.265 701 H C 2.118 177.388 175.328 -0.098 0.000 0.953 701 H CA 0.696 56.700 56.048 -0.074 0.000 1.197 701 H CB 0.640 30.397 29.762 -0.009 0.000 1.438 701 H HN 0.111 nan 8.280 nan 0.000 0.531 702 V N 0.932 120.767 119.914 -0.131 0.000 2.535 702 V HA -0.133 3.992 4.120 0.008 0.000 0.246 702 V C 2.566 178.472 176.094 -0.312 0.000 1.045 702 V CA 1.174 63.390 62.300 -0.140 0.000 1.058 702 V CB -0.192 31.573 31.823 -0.098 0.000 0.689 702 V HN 0.201 nan 8.190 nan 0.000 0.461 703 K N 0.919 120.844 120.400 -0.792 0.000 2.059 703 K HA -0.213 4.112 4.320 0.008 0.000 0.212 703 K C -0.619 175.864 176.600 -0.196 0.000 1.050 703 K CA 2.213 58.115 56.287 -0.642 0.000 0.927 703 K CB -1.098 31.018 32.500 -0.638 0.000 0.714 703 K HN 0.394 nan 8.250 nan 0.000 0.447 704 P HA -0.038 nan 4.420 nan 0.000 0.242 704 P C -0.093 177.199 177.300 -0.014 0.000 1.198 704 P CA 0.744 63.820 63.100 -0.040 0.000 0.756 704 P CB 0.068 31.756 31.700 -0.020 0.000 0.911 705 C N -2.982 116.324 119.300 0.010 0.000 3.642 705 C HA 0.285 4.750 4.460 0.008 0.000 0.305 705 C C 2.047 177.077 174.990 0.068 0.000 1.492 705 C CA -0.228 58.794 59.018 0.007 0.000 1.809 705 C CB -1.003 26.774 27.740 0.061 0.000 2.639 705 C HN 0.152 nan 8.230 nan 0.000 0.672 706 I N 2.337 122.961 120.570 0.089 0.000 2.361 706 I HA -0.134 4.041 4.170 0.008 0.000 0.251 706 I C 2.467 178.550 176.117 -0.057 0.000 1.133 706 I CA 1.843 63.184 61.300 0.068 0.000 1.413 706 I CB -0.177 37.814 38.000 -0.017 0.000 1.073 706 I HN 0.313 nan 8.210 nan 0.000 0.424 707 A N -0.306 122.524 122.820 0.017 0.000 2.019 707 A HA -0.195 4.130 4.320 0.008 0.000 0.219 707 A C 1.883 179.530 177.584 0.106 0.000 1.164 707 A CA 2.024 54.149 52.037 0.146 0.000 0.644 707 A CB -0.631 18.492 19.000 0.205 0.000 0.805 707 A HN 0.446 nan 8.150 nan 0.000 0.449 708 D N -1.158 119.253 120.400 0.019 0.000 2.183 708 D HA 0.012 4.657 4.640 0.008 0.000 0.205 708 D C 1.534 177.889 176.300 0.091 0.000 0.962 708 D CA 0.804 54.803 54.000 -0.002 0.000 0.849 708 D CB -0.426 40.256 40.800 -0.197 0.000 0.978 708 D HN 0.554 nan 8.370 nan 0.000 0.488 709 F N 0.327 120.370 119.950 0.155 0.000 2.234 709 F HA -0.078 4.454 4.527 0.008 0.000 0.296 709 F C 2.368 178.204 175.800 0.059 0.000 1.089 709 F CA 0.277 58.350 58.000 0.122 0.000 1.343 709 F CB -0.054 39.002 39.000 0.092 0.000 1.040 709 F HN -0.173 nan 8.300 nan 0.000 0.498 710 M N 0.313 120.020 119.600 0.178 0.000 2.073 710 M HA -0.158 4.327 4.480 0.008 0.000 0.258 710 M C -0.533 175.842 176.300 0.125 0.000 1.070 710 M CA 2.026 57.376 55.300 0.082 0.000 1.103 710 M CB -2.539 30.041 32.600 -0.034 0.000 1.321 710 M HN -0.082 nan 8.290 nan 0.000 0.405 711 P HA -0.107 nan 4.420 nan 0.000 0.218 711 P C 1.672 179.044 177.300 0.120 0.000 1.148 711 P CA 1.059 64.241 63.100 0.137 0.000 0.822 711 P CB -0.222 31.566 31.700 0.146 0.000 0.784 712 I N -1.368 119.285 120.570 0.137 0.000 2.252 712 I HA -0.153 4.022 4.170 0.008 0.000 0.245 712 I C 2.338 178.541 176.117 0.144 0.000 1.102 712 I CA 1.320 62.700 61.300 0.133 0.000 1.385 712 I CB -1.595 36.456 38.000 0.085 0.000 1.064 712 I HN -0.020 nan 8.210 nan 0.000 0.414 713 L N 0.914 122.183 121.223 0.077 0.000 2.042 713 L HA -0.154 4.192 4.340 0.008 0.000 0.210 713 L C 2.756 179.566 176.870 -0.101 0.000 1.076 713 L CA 1.715 56.457 54.840 -0.163 0.000 0.749 713 L CB -1.195 40.775 42.059 -0.149 0.000 0.893 713 L HN 0.295 nan 8.230 nan 0.000 0.432 714 G N -0.739 108.061 108.800 -0.000 0.000 2.446 714 G HA2 -0.252 3.713 3.960 0.008 0.000 0.217 714 G HA3 -0.252 3.713 3.960 0.008 0.000 0.217 714 G C 1.552 176.476 174.900 0.041 0.000 1.168 714 G CA 1.341 46.457 45.100 0.027 0.000 0.771 714 G HN 0.357 nan 8.290 nan 0.000 0.551 715 T N 1.016 115.608 114.554 0.063 0.000 2.881 715 T HA -0.085 4.270 4.350 0.008 0.000 0.270 715 T C 1.887 176.642 174.700 0.090 0.000 1.068 715 T CA 1.016 63.165 62.100 0.081 0.000 1.131 715 T CB -0.117 68.807 68.868 0.093 0.000 0.871 715 T HN 0.266 nan 8.240 nan 0.000 0.479 716 N N 0.808 119.548 118.700 0.067 0.000 2.280 716 N HA 0.175 4.920 4.740 0.008 0.000 0.192 716 N C 0.024 175.549 175.510 0.024 0.000 1.109 716 N CA 0.019 53.118 53.050 0.081 0.000 0.855 716 N CB 0.201 38.773 38.487 0.142 0.000 0.974 716 N HN 0.387 nan 8.380 nan 0.000 0.482 717 L N 2.054 123.278 121.223 0.001 0.000 2.416 717 L HA 0.088 4.433 4.340 0.008 0.000 0.243 717 L C 0.071 176.972 176.870 0.052 0.000 1.373 717 L CA -0.113 54.731 54.840 0.007 0.000 1.227 717 L CB -0.873 41.184 42.059 -0.003 0.000 1.428 717 L HN -0.007 nan 8.230 nan 0.000 0.425 718 N N 1.313 120.067 118.700 0.090 0.000 2.504 718 N HA 0.319 5.064 4.740 0.008 0.000 0.280 718 N C -2.117 173.444 175.510 0.085 0.000 1.052 718 N CA -1.945 51.168 53.050 0.105 0.000 0.887 718 N CB 2.082 40.675 38.487 0.177 0.000 1.323 718 N HN -0.177 nan 8.380 nan 0.000 0.509 719 P HA -0.072 nan 4.420 nan 0.000 0.225 719 P C 0.701 177.957 177.300 -0.074 0.000 1.148 719 P CA 0.841 63.938 63.100 -0.006 0.000 0.779 719 P CB 0.425 32.117 31.700 -0.013 0.000 0.780 720 E N -0.667 119.426 120.200 -0.178 0.000 2.118 720 E HA -0.124 4.231 4.350 0.008 0.000 0.195 720 E C 0.217 176.478 176.600 -0.564 0.000 0.992 720 E CA 1.024 57.158 56.400 -0.444 0.000 0.804 720 E CB -0.378 28.900 29.700 -0.703 0.000 0.741 720 E HN 0.419 nan 8.360 nan 0.000 0.458 721 F N 0.480 120.449 119.950 0.031 0.000 2.319 721 F HA 0.280 4.810 4.527 0.006 0.000 0.356 721 F C 1.385 177.207 175.800 0.036 0.000 1.100 721 F CA -0.528 57.495 58.000 0.037 0.000 1.220 721 F CB 0.131 39.163 39.000 0.053 0.000 1.506 721 F HN -0.188 nan 8.300 nan 0.000 0.512 722 I N 0.170 120.814 120.570 0.123 0.000 2.113 722 I HA -0.368 3.807 4.170 0.008 0.000 0.242 722 I C 2.210 178.385 176.117 0.096 0.000 1.064 722 I CA 1.690 63.038 61.300 0.080 0.000 1.320 722 I CB -0.367 37.656 38.000 0.038 0.000 1.028 722 I HN 0.436 nan 8.210 nan 0.000 0.406 723 S N 0.058 115.823 115.700 0.108 0.000 2.382 723 S HA -0.121 4.354 4.470 0.008 0.000 0.228 723 S C 2.057 176.733 174.600 0.126 0.000 1.027 723 S CA 1.238 59.494 58.200 0.093 0.000 0.991 723 S CB -0.304 62.945 63.200 0.081 0.000 0.823 723 S HN 0.246 nan 8.310 nan 0.000 0.469 724 V N 0.528 120.547 119.914 0.175 0.000 2.379 724 V HA -0.179 3.946 4.120 0.008 0.000 0.245 724 V C 2.527 178.720 176.094 0.164 0.000 1.044 724 V CA 1.415 63.849 62.300 0.224 0.000 1.036 724 V CB -0.760 31.201 31.823 0.230 0.000 0.664 724 V HN 0.673 nan 8.190 nan 0.000 0.453 725 C N 0.479 119.860 119.300 0.136 0.000 2.413 725 C HA -0.193 4.272 4.460 0.008 0.000 0.276 725 C C 2.754 177.765 174.990 0.035 0.000 1.236 725 C CA 1.828 60.885 59.018 0.065 0.000 1.735 725 C CB -1.347 26.439 27.740 0.076 0.000 2.031 725 C HN 0.738 nan 8.230 nan 0.000 0.474 726 N N 1.093 119.829 118.700 0.059 0.000 2.021 726 N HA -0.159 4.586 4.740 0.008 0.000 0.198 726 N C 1.442 177.013 175.510 0.102 0.000 1.041 726 N CA 2.444 55.529 53.050 0.058 0.000 0.862 726 N CB -0.322 38.187 38.487 0.037 0.000 1.048 726 N HN 0.527 nan 8.380 nan 0.000 0.427 727 N N -0.065 118.712 118.700 0.128 0.000 2.166 727 N HA -0.067 4.678 4.740 0.008 0.000 0.186 727 N C 1.464 177.061 175.510 0.145 0.000 1.019 727 N CA 1.213 54.403 53.050 0.233 0.000 0.856 727 N CB -0.657 37.997 38.487 0.278 0.000 0.993 727 N HN 0.399 nan 8.380 nan 0.000 0.426 728 A N 0.425 123.163 122.820 -0.136 0.000 1.855 728 A HA -0.109 4.216 4.320 0.008 0.000 0.215 728 A C 2.348 179.805 177.584 -0.210 0.000 1.191 728 A CA 2.009 53.753 52.037 -0.488 0.000 0.613 728 A CB -1.188 17.342 19.000 -0.783 0.000 0.829 728 A HN 0.294 nan 8.150 nan 0.000 0.442 729 T N -1.303 113.198 114.554 -0.089 0.000 2.635 729 T HA -0.256 4.099 4.350 0.008 0.000 0.267 729 T C 1.494 176.211 174.700 0.028 0.000 1.040 729 T CA 1.775 63.859 62.100 -0.027 0.000 1.156 729 T CB -0.459 68.416 68.868 0.012 0.000 0.863 729 T HN 0.739 nan 8.240 nan 0.000 0.430 730 W N 2.181 123.436 121.300 -0.075 0.000 2.318 730 W HA -0.126 4.541 4.660 0.011 0.000 0.313 730 W C 2.585 179.070 176.519 -0.057 0.000 1.221 730 W CA 1.289 58.602 57.345 -0.054 0.000 1.266 730 W CB -0.771 28.668 29.460 -0.035 0.000 1.150 730 W HN 0.268 nan 8.180 nan 0.000 0.496 731 A N 0.376 123.055 122.820 -0.235 0.000 1.877 731 A HA -0.193 4.132 4.320 0.008 0.000 0.216 731 A C 2.067 179.438 177.584 -0.355 0.000 1.186 731 A CA 2.145 53.915 52.037 -0.445 0.000 0.620 731 A CB -1.120 17.754 19.000 -0.209 0.000 0.822 731 A HN 0.384 nan 8.150 nan 0.000 0.443 732 I N -0.072 120.360 120.570 -0.230 0.000 2.145 732 I HA -0.299 3.876 4.170 0.008 0.000 0.244 732 I C 2.708 178.718 176.117 -0.179 0.000 1.075 732 I CA 1.384 62.583 61.300 -0.168 0.000 1.332 732 I CB -0.714 37.218 38.000 -0.114 0.000 1.033 732 I HN 0.405 nan 8.210 nan 0.000 0.410 733 G N 0.113 108.799 108.800 -0.190 0.000 2.440 733 G HA2 -0.225 3.740 3.960 0.008 0.000 0.218 733 G HA3 -0.225 3.740 3.960 0.008 0.000 0.218 733 G C 1.574 176.337 174.900 -0.228 0.000 1.154 733 G CA 0.618 45.620 45.100 -0.162 0.000 0.767 733 G HN 0.323 nan 8.290 nan 0.000 0.552 734 E N 0.192 120.157 120.200 -0.392 0.000 2.152 734 E HA 0.004 4.359 4.350 0.008 0.000 0.192 734 E C 2.595 178.978 176.600 -0.362 0.000 0.983 734 E CA 0.286 56.440 56.400 -0.411 0.000 0.818 734 E CB -0.051 29.261 29.700 -0.646 0.000 0.758 734 E HN 0.523 nan 8.360 nan 0.000 0.467 735 I N 1.461 121.834 120.570 -0.327 0.000 2.252 735 I HA -0.256 3.919 4.170 0.008 0.000 0.245 735 I C 2.598 178.543 176.117 -0.288 0.000 1.102 735 I CA 1.341 62.454 61.300 -0.311 0.000 1.385 735 I CB -0.283 37.628 38.000 -0.150 0.000 1.064 735 I HN 0.056 nan 8.210 nan 0.000 0.414 736 S N 0.883 116.479 115.700 -0.173 0.000 2.399 736 S HA -0.127 4.348 4.470 0.008 0.000 0.231 736 S C 2.051 176.597 174.600 -0.090 0.000 1.022 736 S CA 0.845 58.991 58.200 -0.090 0.000 0.983 736 S CB -0.662 62.516 63.200 -0.037 0.000 0.803 736 S HN 0.380 nan 8.310 nan 0.000 0.480 737 I N 1.160 121.654 120.570 -0.127 0.000 2.315 737 I HA -0.121 4.054 4.170 0.008 0.000 0.248 737 I C 2.752 178.772 176.117 -0.162 0.000 1.117 737 I CA 1.230 62.476 61.300 -0.091 0.000 1.404 737 I CB -0.356 37.591 38.000 -0.089 0.000 1.071 737 I HN 0.410 nan 8.210 nan 0.000 0.419 738 Q N -0.407 119.179 119.800 -0.357 0.000 2.245 738 Q HA -0.040 4.305 4.340 0.008 0.000 0.201 738 Q C 2.121 177.884 176.000 -0.395 0.000 0.955 738 Q CA 0.939 56.418 55.803 -0.540 0.000 0.870 738 Q CB 0.163 28.152 28.738 -1.249 0.000 0.945 738 Q HN 0.504 nan 8.270 nan 0.000 0.461 739 M N -0.728 118.705 119.600 -0.277 0.000 2.334 739 M HA 0.039 4.524 4.480 0.008 0.000 0.266 739 M C 1.125 177.440 176.300 0.025 0.000 1.082 739 M CA 1.064 56.350 55.300 -0.024 0.000 1.141 739 M CB -0.366 32.264 32.600 0.050 0.000 1.380 739 M HN 0.225 nan 8.290 nan 0.000 0.440 740 G N 1.706 110.504 108.800 -0.004 0.000 2.552 740 G HA2 -0.328 3.637 3.960 0.008 0.000 0.265 740 G HA3 -0.328 3.637 3.960 0.008 0.000 0.265 740 G C 0.579 175.491 174.900 0.021 0.000 1.234 740 G CA 0.159 45.266 45.100 0.010 0.000 0.944 740 G HN 0.447 nan 8.290 nan 0.000 0.568 741 I N 0.075 120.650 120.570 0.008 0.000 2.315 741 I HA -0.146 4.029 4.170 0.008 0.000 0.251 741 I C 2.339 178.479 176.117 0.039 0.000 1.125 741 I CA 2.422 63.726 61.300 0.008 0.000 1.392 741 I CB -0.652 37.344 38.000 -0.006 0.000 1.065 741 I HN 0.622 nan 8.210 nan 0.000 0.424 742 E N 0.805 121.045 120.200 0.068 0.000 2.396 742 E HA -0.230 4.125 4.350 0.008 0.000 0.200 742 E C 1.940 178.652 176.600 0.186 0.000 1.023 742 E CA 1.004 57.470 56.400 0.111 0.000 0.857 742 E CB -0.257 29.529 29.700 0.143 0.000 0.775 742 E HN 0.454 nan 8.360 nan 0.000 0.525 743 M N 0.806 120.508 119.600 0.171 0.000 2.557 743 M HA -0.134 4.351 4.480 0.008 0.000 0.259 743 M C 1.766 178.174 176.300 0.181 0.000 1.086 743 M CA 1.259 56.706 55.300 0.246 0.000 1.096 743 M CB 0.040 32.717 32.600 0.129 0.000 1.424 743 M HN -0.006 nan 8.290 nan 0.000 0.488 744 Q N 0.427 120.268 119.800 0.068 0.000 2.028 744 Q HA -0.231 4.114 4.340 0.008 0.000 0.213 744 Q C -0.726 175.238 176.000 -0.059 0.000 1.017 744 Q CA 2.665 58.468 55.803 0.000 0.000 0.875 744 Q CB -1.660 27.065 28.738 -0.022 0.000 0.962 744 Q HN 0.389 nan 8.270 nan 0.000 0.413 745 P HA -0.136 nan 4.420 nan 0.000 0.225 745 P C 0.130 177.244 177.300 -0.309 0.000 1.148 745 P CA 1.288 64.195 63.100 -0.321 0.000 0.779 745 P CB -0.148 31.231 31.700 -0.534 0.000 0.780 746 Y N -1.909 118.413 120.300 0.037 0.000 2.482 746 Y HA 0.153 4.708 4.550 0.009 0.000 0.270 746 Y C 2.142 178.059 175.900 0.027 0.000 1.152 746 Y CA -0.152 57.972 58.100 0.041 0.000 1.292 746 Y CB -0.473 38.018 38.460 0.051 0.000 1.070 746 Y HN -0.105 nan 8.280 nan 0.000 0.528 747 I N 0.810 121.450 120.570 0.118 0.000 2.233 747 I HA -0.121 4.054 4.170 0.008 0.000 0.243 747 I C -0.603 175.539 176.117 0.041 0.000 1.093 747 I CA 0.777 62.114 61.300 0.062 0.000 1.380 747 I CB -1.609 36.405 38.000 0.024 0.000 1.067 747 I HN 0.108 nan 8.210 nan 0.000 0.413 748 P HA -0.217 nan 4.420 nan 0.000 0.216 748 P C 1.968 179.352 177.300 0.140 0.000 1.154 748 P CA 1.773 64.927 63.100 0.091 0.000 0.865 748 P CB -0.216 31.537 31.700 0.089 0.000 0.789 749 M N -3.241 116.430 119.600 0.118 0.000 2.394 749 M HA -0.024 4.461 4.480 0.008 0.000 0.264 749 M C 1.302 177.666 176.300 0.107 0.000 1.073 749 M CA 1.813 57.186 55.300 0.122 0.000 1.111 749 M CB -0.713 31.962 32.600 0.125 0.000 1.401 749 M HN -0.234 nan 8.290 nan 0.000 0.448 750 V N 0.123 120.086 119.914 0.082 0.000 2.806 750 V HA -0.049 4.076 4.120 0.008 0.000 0.239 750 V C 2.212 178.315 176.094 0.016 0.000 1.113 750 V CA 0.444 62.771 62.300 0.045 0.000 1.137 750 V CB 0.131 31.972 31.823 0.029 0.000 0.865 750 V HN 0.438 nan 8.190 nan 0.000 0.482 751 L N 0.412 121.618 121.223 -0.030 0.000 1.971 751 L HA -0.240 4.105 4.340 0.008 0.000 0.215 751 L C 2.556 179.367 176.870 -0.098 0.000 1.072 751 L CA 2.294 57.065 54.840 -0.116 0.000 0.758 751 L CB -1.099 40.833 42.059 -0.211 0.000 0.889 751 L HN 0.418 nan 8.230 nan 0.000 0.433 752 H N -0.525 118.563 119.070 0.031 0.000 2.353 752 H HA -0.214 4.347 4.556 0.008 0.000 0.298 752 H C 2.228 177.577 175.328 0.036 0.000 1.103 752 H CA 2.094 58.166 56.048 0.041 0.000 1.293 752 H CB -0.216 29.571 29.762 0.041 0.000 1.372 752 H HN 0.599 nan 8.280 nan 0.000 0.501 753 Q N 0.184 120.068 119.800 0.140 0.000 2.084 753 Q HA -0.081 4.264 4.340 0.008 0.000 0.202 753 Q C 2.718 178.749 176.000 0.052 0.000 0.978 753 Q CA 0.865 56.719 55.803 0.086 0.000 0.844 753 Q CB 0.008 28.786 28.738 0.067 0.000 0.898 753 Q HN 0.398 nan 8.270 nan 0.000 0.426 754 L N -0.181 121.055 121.223 0.022 0.000 2.017 754 L HA -0.176 4.169 4.340 0.008 0.000 0.208 754 L C 2.299 179.176 176.870 0.011 0.000 1.073 754 L CA 0.808 55.645 54.840 -0.005 0.000 0.745 754 L CB -0.528 41.500 42.059 -0.051 0.000 0.894 754 L HN 0.097 nan 8.230 nan 0.000 0.432 755 V N -0.288 119.641 119.914 0.025 0.000 2.594 755 V HA -0.267 3.858 4.120 0.008 0.000 0.253 755 V C 2.391 178.550 176.094 0.109 0.000 1.069 755 V CA 1.816 64.172 62.300 0.095 0.000 1.082 755 V CB -0.520 31.391 31.823 0.147 0.000 0.680 755 V HN 0.485 nan 8.190 nan 0.000 0.469 756 E N 0.218 120.473 120.200 0.092 0.000 2.072 756 E HA -0.135 4.220 4.350 0.008 0.000 0.190 756 E C 2.196 178.832 176.600 0.060 0.000 0.982 756 E CA 1.090 57.538 56.400 0.080 0.000 0.803 756 E CB -0.081 29.666 29.700 0.077 0.000 0.755 756 E HN 0.602 nan 8.360 nan 0.000 0.453 757 I N 0.938 121.537 120.570 0.049 0.000 2.252 757 I HA -0.228 3.947 4.170 0.008 0.000 0.245 757 I C 2.536 178.675 176.117 0.036 0.000 1.102 757 I CA 0.775 62.095 61.300 0.034 0.000 1.385 757 I CB -0.112 37.902 38.000 0.024 0.000 1.064 757 I HN 0.228 nan 8.210 nan 0.000 0.414 758 I N 0.767 121.366 120.570 0.049 0.000 2.493 758 I HA -0.233 3.942 4.170 0.008 0.000 0.254 758 I C 1.816 177.975 176.117 0.070 0.000 1.160 758 I CA 1.309 62.646 61.300 0.061 0.000 1.445 758 I CB -0.136 37.920 38.000 0.093 0.000 1.086 758 I HN 0.266 nan 8.210 nan 0.000 0.433 759 N N 0.970 119.716 118.700 0.078 0.000 2.398 759 N HA 0.011 4.756 4.740 0.008 0.000 0.188 759 N C 0.328 175.866 175.510 0.047 0.000 1.122 759 N CA 0.105 53.197 53.050 0.071 0.000 0.866 759 N CB 0.059 38.598 38.487 0.086 0.000 0.970 759 N HN 0.280 nan 8.380 nan 0.000 0.462 760 R N 2.150 122.672 120.500 0.037 0.000 2.370 760 R HA 0.065 4.410 4.340 0.008 0.000 0.309 760 R C -1.204 175.105 176.300 0.014 0.000 1.059 760 R CA -1.280 54.834 56.100 0.023 0.000 0.981 760 R CB 0.922 31.233 30.300 0.017 0.000 0.972 760 R HN 0.033 nan 8.270 nan 0.000 0.437 761 P HA -0.189 nan 4.420 nan 0.000 0.205 761 P C -0.366 176.933 177.300 -0.001 0.000 1.164 761 P CA 1.337 64.441 63.100 0.007 0.000 0.938 761 P CB -0.033 31.671 31.700 0.007 0.000 0.777 762 N N 0.419 119.117 118.700 -0.004 0.000 2.448 762 N HA 0.191 4.936 4.740 0.008 0.000 0.250 762 N C -0.901 174.603 175.510 -0.011 0.000 1.136 762 N CA 0.498 53.542 53.050 -0.009 0.000 0.953 762 N CB -0.444 38.037 38.487 -0.011 0.000 1.251 762 N HN 0.084 nan 8.380 nan 0.000 0.502 763 T N 2.271 116.819 114.554 -0.011 0.000 2.991 763 T HA 0.396 4.751 4.350 0.008 0.000 0.303 763 T C -2.475 172.215 174.700 -0.016 0.000 1.015 763 T CA -1.121 60.972 62.100 -0.012 0.000 1.007 763 T CB 1.956 70.819 68.868 -0.007 0.000 1.034 763 T HN 0.145 nan 8.240 nan 0.000 0.446 764 P HA 0.231 nan 4.420 nan 0.000 0.269 764 P C 1.139 178.423 177.300 -0.028 0.000 1.211 764 P CA -0.156 62.932 63.100 -0.021 0.000 0.781 764 P CB 0.492 32.182 31.700 -0.017 0.000 0.877 765 K N 0.756 121.136 120.400 -0.034 0.000 2.026 765 K HA -0.149 4.176 4.320 0.008 0.000 0.208 765 K C 1.981 178.550 176.600 -0.050 0.000 1.048 765 K CA 2.609 58.869 56.287 -0.045 0.000 0.929 765 K CB -2.008 30.463 32.500 -0.048 0.000 0.713 765 K HN 0.610 nan 8.250 nan 0.000 0.439 766 T N 1.003 115.529 114.554 -0.046 0.000 2.708 766 T HA -0.109 4.246 4.350 0.008 0.000 0.266 766 T C 1.943 176.619 174.700 -0.041 0.000 1.037 766 T CA 1.356 63.426 62.100 -0.050 0.000 1.146 766 T CB -0.301 68.536 68.868 -0.051 0.000 0.865 766 T HN 0.303 nan 8.240 nan 0.000 0.435 767 L N 0.796 122.002 121.223 -0.027 0.000 2.083 767 L HA 0.101 4.446 4.340 0.008 0.000 0.209 767 L C 2.124 178.982 176.870 -0.021 0.000 1.083 767 L CA 1.431 56.263 54.840 -0.014 0.000 0.752 767 L CB -0.750 41.307 42.059 -0.002 0.000 0.899 767 L HN 0.246 nan 8.230 nan 0.000 0.433 768 L N -0.776 120.428 121.223 -0.032 0.000 2.046 768 L HA -0.221 4.124 4.340 0.008 0.000 0.208 768 L C 2.534 179.361 176.870 -0.073 0.000 1.077 768 L CA 1.566 56.381 54.840 -0.042 0.000 0.747 768 L CB -0.447 41.585 42.059 -0.045 0.000 0.896 768 L HN 0.357 nan 8.230 nan 0.000 0.432 769 E N -0.232 119.917 120.200 -0.085 0.000 2.051 769 E HA -0.209 4.146 4.350 0.008 0.000 0.192 769 E C 1.940 178.483 176.600 -0.095 0.000 0.991 769 E CA 1.091 57.419 56.400 -0.119 0.000 0.799 769 E CB -0.098 29.539 29.700 -0.104 0.000 0.748 769 E HN 0.430 nan 8.360 nan 0.000 0.449 770 N N 0.190 118.865 118.700 -0.043 0.000 2.166 770 N HA -0.098 4.647 4.740 0.008 0.000 0.186 770 N C 1.843 177.358 175.510 0.008 0.000 1.019 770 N CA 1.352 54.408 53.050 0.010 0.000 0.856 770 N CB -0.317 38.196 38.487 0.042 0.000 0.993 770 N HN 0.124 nan 8.380 nan 0.000 0.426 771 T N 0.947 115.492 114.554 -0.014 0.000 2.746 771 T HA -0.054 4.301 4.350 0.008 0.000 0.267 771 T C 1.993 176.679 174.700 -0.023 0.000 1.039 771 T CA 1.340 63.431 62.100 -0.015 0.000 1.142 771 T CB -0.292 68.570 68.868 -0.010 0.000 0.866 771 T HN 0.315 nan 8.240 nan 0.000 0.444 772 A N 1.140 123.915 122.820 -0.075 0.000 1.902 772 A HA -0.015 4.310 4.320 0.008 0.000 0.217 772 A C 2.284 179.817 177.584 -0.085 0.000 1.181 772 A CA 1.218 53.154 52.037 -0.169 0.000 0.623 772 A CB -0.804 17.867 19.000 -0.549 0.000 0.818 772 A HN 0.504 nan 8.150 nan 0.000 0.443 773 I N -0.455 120.063 120.570 -0.087 0.000 2.163 773 I HA -0.249 3.927 4.170 0.008 0.000 0.243 773 I C 2.641 178.805 176.117 0.078 0.000 1.085 773 I CA 1.873 63.186 61.300 0.022 0.000 1.347 773 I CB -0.665 37.355 38.000 0.034 0.000 1.044 773 I HN 0.246 nan 8.210 nan 0.000 0.408 774 T N 1.066 115.644 114.554 0.040 0.000 2.708 774 T HA -0.115 4.240 4.350 0.008 0.000 0.266 774 T C 1.930 176.633 174.700 0.004 0.000 1.037 774 T CA 1.440 63.548 62.100 0.013 0.000 1.146 774 T CB -0.334 68.528 68.868 -0.011 0.000 0.865 774 T HN 0.229 nan 8.240 nan 0.000 0.435 775 I N 1.257 121.816 120.570 -0.018 0.000 2.208 775 I HA -0.158 4.017 4.170 0.008 0.000 0.245 775 I C 2.850 178.957 176.117 -0.017 0.000 1.097 775 I CA 1.340 62.567 61.300 -0.121 0.000 1.363 775 I CB -0.756 37.030 38.000 -0.357 0.000 1.051 775 I HN 0.316 nan 8.210 nan 0.000 0.413 776 G N 0.645 109.565 108.800 0.200 0.000 2.421 776 G HA2 -0.232 3.733 3.960 0.008 0.000 0.216 776 G HA3 -0.232 3.733 3.960 0.008 0.000 0.216 776 G C 1.815 176.826 174.900 0.185 0.000 1.171 776 G CA 0.558 45.824 45.100 0.278 0.000 0.775 776 G HN 0.295 nan 8.290 nan 0.000 0.543 777 R N -0.303 120.279 120.500 0.136 0.000 2.092 777 R HA 0.136 4.481 4.340 0.008 0.000 0.231 777 R C 2.658 179.029 176.300 0.119 0.000 1.119 777 R CA 0.696 56.867 56.100 0.118 0.000 0.970 777 R CB -0.421 29.909 30.300 0.051 0.000 0.864 777 R HN 0.313 nan 8.270 nan 0.000 0.440 778 L N -0.487 120.770 121.223 0.057 0.000 2.017 778 L HA -0.125 4.220 4.340 0.008 0.000 0.208 778 L C 2.584 179.482 176.870 0.047 0.000 1.073 778 L CA 1.598 56.457 54.840 0.032 0.000 0.745 778 L CB -0.833 41.219 42.059 -0.012 0.000 0.894 778 L HN 0.374 nan 8.230 nan 0.000 0.432 779 G N -1.307 107.522 108.800 0.049 0.000 2.442 779 G HA2 -0.355 3.610 3.960 0.008 0.000 0.219 779 G HA3 -0.355 3.610 3.960 0.008 0.000 0.219 779 G C 1.500 176.455 174.900 0.091 0.000 1.141 779 G CA 0.740 45.874 45.100 0.056 0.000 0.763 779 G HN 0.380 nan 8.290 nan 0.000 0.554 780 Y N 0.390 120.703 120.300 0.022 0.000 2.333 780 Y HA 0.021 4.576 4.550 0.009 0.000 0.290 780 Y C 2.554 178.461 175.900 0.012 0.000 1.144 780 Y CA 1.322 59.437 58.100 0.026 0.000 1.228 780 Y CB 0.055 38.540 38.460 0.042 0.000 0.985 780 Y HN 0.063 nan 8.280 nan 0.000 0.542 781 V N -1.681 118.234 119.914 0.003 0.000 2.795 781 V HA -0.018 4.107 4.120 0.008 0.000 0.243 781 V C 0.210 176.265 176.094 -0.065 0.000 1.069 781 V CA 0.922 63.184 62.300 -0.063 0.000 1.089 781 V CB 0.332 32.178 31.823 0.038 0.000 0.756 781 V HN 0.390 nan 8.190 nan 0.000 0.471 782 C N 1.440 120.723 119.300 -0.027 0.000 2.816 782 C HA 0.390 4.855 4.460 0.008 0.000 0.255 782 C C -1.320 173.658 174.990 -0.020 0.000 1.141 782 C CA -0.820 58.184 59.018 -0.024 0.000 1.554 782 C CB 0.449 28.187 27.740 -0.004 0.000 1.778 782 C HN 0.396 nan 8.230 nan 0.000 0.429 783 P HA -0.135 nan 4.420 nan 0.000 0.216 783 P C 1.742 179.034 177.300 -0.012 0.000 1.153 783 P CA 1.438 64.525 63.100 -0.021 0.000 0.844 783 P CB 0.158 31.833 31.700 -0.041 0.000 0.787 784 Q N 0.195 119.984 119.800 -0.019 0.000 2.077 784 Q HA -0.221 4.124 4.340 0.008 0.000 0.206 784 Q C 1.974 177.972 176.000 -0.005 0.000 0.989 784 Q CA 1.787 57.583 55.803 -0.013 0.000 0.853 784 Q CB -0.969 27.759 28.738 -0.016 0.000 0.907 784 Q HN 0.374 nan 8.270 nan 0.000 0.418 785 E N -0.541 119.656 120.200 -0.005 0.000 2.158 785 E HA -0.041 4.314 4.350 0.008 0.000 0.191 785 E C 2.043 178.642 176.600 -0.001 0.000 0.982 785 E CA 0.543 56.941 56.400 -0.003 0.000 0.823 785 E CB 0.199 29.895 29.700 -0.006 0.000 0.766 785 E HN 0.105 nan 8.360 nan 0.000 0.468 786 V N 0.135 120.054 119.914 0.008 0.000 2.795 786 V HA 0.073 4.198 4.120 0.008 0.000 0.243 786 V C 2.119 178.267 176.094 0.089 0.000 1.069 786 V CA 0.997 63.318 62.300 0.034 0.000 1.089 786 V CB -0.494 31.339 31.823 0.017 0.000 0.756 786 V HN 0.265 nan 8.190 nan 0.000 0.471 787 A N 1.204 124.054 122.820 0.050 0.000 1.884 787 A HA -0.208 4.117 4.320 0.008 0.000 0.219 787 A C 0.470 178.059 177.584 0.009 0.000 1.197 787 A CA 2.513 54.566 52.037 0.027 0.000 0.637 787 A CB -2.107 16.890 19.000 -0.005 0.000 0.827 787 A HN 0.503 nan 8.150 nan 0.000 0.450 788 P HA -0.172 nan 4.420 nan 0.000 0.219 788 P C 1.158 178.463 177.300 0.009 0.000 1.145 788 P CA 1.430 64.535 63.100 0.007 0.000 0.813 788 P CB -0.117 31.595 31.700 0.020 0.000 0.771 789 M N -2.722 116.907 119.600 0.048 0.000 2.383 789 M HA 0.061 4.546 4.480 0.008 0.000 0.247 789 M C 1.293 177.510 176.300 -0.140 0.000 1.117 789 M CA -0.194 55.147 55.300 0.068 0.000 0.995 789 M CB -0.185 32.527 32.600 0.187 0.000 1.480 789 M HN -0.073 nan 8.290 nan 0.000 0.485 790 L N 1.965 123.014 121.223 -0.290 0.000 2.051 790 L HA -0.259 4.086 4.340 0.008 0.000 0.214 790 L C 2.546 178.967 176.870 -0.748 0.000 1.076 790 L CA 2.330 56.729 54.840 -0.734 0.000 0.758 790 L CB -0.826 41.010 42.059 -0.372 0.000 0.890 790 L HN 0.506 nan 8.230 nan 0.000 0.433 791 Q N -2.089 117.495 119.800 -0.360 0.000 2.291 791 Q HA -0.213 4.132 4.340 0.008 0.000 0.205 791 Q C 1.878 177.771 176.000 -0.178 0.000 0.970 791 Q CA 1.492 57.164 55.803 -0.218 0.000 0.876 791 Q CB -0.441 28.238 28.738 -0.099 0.000 0.935 791 Q HN 0.620 nan 8.270 nan 0.000 0.455 792 Q N 0.057 119.748 119.800 -0.182 0.000 2.269 792 Q HA -0.006 4.339 4.340 0.008 0.000 0.201 792 Q C 1.161 177.195 176.000 0.058 0.000 0.946 792 Q CA 1.130 56.923 55.803 -0.017 0.000 0.877 792 Q CB 0.247 29.031 28.738 0.076 0.000 0.963 792 Q HN 0.688 nan 8.270 nan 0.000 0.472 793 F N -3.043 116.927 119.950 0.034 0.000 2.706 793 F HA 0.305 4.837 4.527 0.009 0.000 0.308 793 F C 1.484 177.336 175.800 0.086 0.000 1.095 793 F CA -0.553 57.483 58.000 0.061 0.000 1.244 793 F CB -0.341 38.696 39.000 0.062 0.000 1.063 793 F HN -0.160 nan 8.300 nan 0.000 0.582 794 I N 1.181 121.605 120.570 -0.244 0.000 2.286 794 I HA -0.225 3.950 4.170 0.008 0.000 0.248 794 I C 2.561 178.770 176.117 0.154 0.000 1.115 794 I CA 1.358 62.605 61.300 -0.088 0.000 1.392 794 I CB -0.181 37.666 38.000 -0.255 0.000 1.065 794 I HN 0.096 nan 8.210 nan 0.000 0.418 795 R N 0.606 121.186 120.500 0.134 0.000 2.082 795 R HA -0.143 4.202 4.340 0.008 0.000 0.234 795 R C -0.312 175.939 176.300 -0.081 0.000 1.136 795 R CA 2.103 58.233 56.100 0.051 0.000 0.935 795 R CB -1.990 28.388 30.300 0.130 0.000 0.842 795 R HN 0.389 nan 8.270 nan 0.000 0.430 796 P HA -0.167 nan 4.420 nan 0.000 0.217 796 P C 0.862 178.215 177.300 0.089 0.000 1.151 796 P CA 0.819 63.934 63.100 0.025 0.000 0.828 796 P CB -0.251 31.495 31.700 0.077 0.000 0.788 797 W N 0.371 121.686 121.300 0.026 0.000 2.302 797 W HA -0.310 4.355 4.660 0.010 0.000 0.320 797 W C 2.180 178.681 176.519 -0.029 0.000 1.241 797 W CA 1.802 59.170 57.345 0.038 0.000 1.264 797 W CB -1.043 28.522 29.460 0.174 0.000 1.154 797 W HN -0.053 nan 8.180 nan 0.000 0.483 798 C N -0.367 119.193 119.300 0.433 0.000 2.432 798 C HA -0.197 4.268 4.460 0.008 0.000 0.277 798 C C 2.570 177.551 174.990 -0.015 0.000 1.249 798 C CA 1.860 61.032 59.018 0.256 0.000 1.725 798 C CB -1.490 26.416 27.740 0.275 0.000 2.028 798 C HN 0.429 nan 8.230 nan 0.000 0.477 799 T N 0.022 114.486 114.554 -0.150 0.000 2.803 799 T HA -0.189 4.166 4.350 0.008 0.000 0.269 799 T C 1.944 176.568 174.700 -0.126 0.000 1.052 799 T CA 1.879 63.867 62.100 -0.186 0.000 1.136 799 T CB -0.298 68.419 68.868 -0.253 0.000 0.864 799 T HN 0.584 nan 8.240 nan 0.000 0.467 800 S N 0.585 116.203 115.700 -0.138 0.000 2.317 800 S HA 0.153 4.628 4.470 0.008 0.000 0.212 800 S C 1.844 176.327 174.600 -0.196 0.000 1.030 800 S CA 0.455 58.557 58.200 -0.163 0.000 0.970 800 S CB -0.381 62.708 63.200 -0.186 0.000 0.928 800 S HN 0.404 nan 8.310 nan 0.000 0.451 801 L N 1.975 123.010 121.223 -0.314 0.000 2.465 801 L HA 0.077 4.422 4.340 0.008 0.000 0.224 801 L C 2.545 179.364 176.870 -0.085 0.000 1.145 801 L CA 0.611 55.280 54.840 -0.285 0.000 0.834 801 L CB -0.501 41.193 42.059 -0.610 0.000 0.944 801 L HN 0.392 nan 8.230 nan 0.000 0.451 802 R N 0.783 121.253 120.500 -0.050 0.000 2.193 802 R HA -0.126 4.219 4.340 0.008 0.000 0.229 802 R C 0.958 177.206 176.300 -0.087 0.000 1.110 802 R CA 1.240 57.332 56.100 -0.015 0.000 0.988 802 R CB -0.003 30.303 30.300 0.011 0.000 0.871 802 R HN 0.379 nan 8.270 nan 0.000 0.458 803 N N 0.383 119.021 118.700 -0.102 0.000 2.251 803 N HA 0.158 4.904 4.740 0.008 0.000 0.217 803 N C -0.432 175.002 175.510 -0.127 0.000 1.124 803 N CA 0.196 53.184 53.050 -0.103 0.000 0.843 803 N CB 0.671 39.108 38.487 -0.083 0.000 1.024 803 N HN 0.232 nan 8.380 nan 0.000 0.501 804 I N 1.036 121.507 120.570 -0.166 0.000 2.460 804 I HA 0.262 4.437 4.170 0.008 0.000 0.298 804 I C 0.676 176.646 176.117 -0.245 0.000 0.989 804 I CA -0.876 60.317 61.300 -0.179 0.000 1.173 804 I CB 1.757 39.658 38.000 -0.165 0.000 1.338 804 I HN -0.269 nan 8.210 nan 0.000 0.456 805 R N 2.640 123.023 120.500 -0.196 0.000 2.697 805 R HA -0.026 4.319 4.340 0.008 0.000 0.265 805 R C -0.802 175.312 176.300 -0.311 0.000 1.009 805 R CA -0.124 55.853 56.100 -0.205 0.000 1.099 805 R CB 0.034 30.258 30.300 -0.126 0.000 0.965 805 R HN 0.450 nan 8.270 nan 0.000 0.428 806 D N 2.585 122.786 120.400 -0.331 0.000 2.455 806 D HA 0.033 4.678 4.640 0.008 0.000 0.234 806 D C 0.081 176.313 176.300 -0.113 0.000 1.224 806 D CA 0.309 54.056 54.000 -0.422 0.000 0.999 806 D CB -0.174 40.500 40.800 -0.210 0.000 1.072 806 D HN 0.434 nan 8.370 nan 0.000 0.514 807 N N 0.035 118.684 118.700 -0.085 0.000 3.002 807 N HA 0.182 4.927 4.740 0.008 0.000 0.331 807 N C 0.870 176.449 175.510 0.114 0.000 1.384 807 N CA -0.628 52.438 53.050 0.028 0.000 0.780 807 N CB 1.122 39.605 38.487 -0.007 0.000 1.492 807 N HN -0.073 nan 8.380 nan 0.000 0.608 808 E N 0.203 120.456 120.200 0.089 0.000 2.153 808 E HA -0.184 4.171 4.350 0.008 0.000 0.194 808 E C 1.232 177.896 176.600 0.107 0.000 0.988 808 E CA 1.691 58.148 56.400 0.094 0.000 0.811 808 E CB -0.046 29.691 29.700 0.062 0.000 0.746 808 E HN 0.572 nan 8.360 nan 0.000 0.466 809 E N 0.475 120.735 120.200 0.099 0.000 2.028 809 E HA -0.171 4.184 4.350 0.008 0.000 0.190 809 E C 2.104 178.801 176.600 0.162 0.000 0.984 809 E CA 1.006 57.470 56.400 0.108 0.000 0.800 809 E CB -0.274 29.475 29.700 0.081 0.000 0.758 809 E HN 0.211 nan 8.360 nan 0.000 0.448 810 K N 1.029 121.528 120.400 0.164 0.000 2.103 810 K HA -0.227 4.098 4.320 0.008 0.000 0.207 810 K C 1.843 178.841 176.600 0.664 0.000 1.048 810 K CA 1.761 58.228 56.287 0.300 0.000 0.930 810 K CB -0.073 32.398 32.500 -0.048 0.000 0.716 810 K HN 0.002 nan 8.250 nan 0.000 0.444 811 D N -0.110 120.626 120.400 0.559 0.000 2.087 811 D HA -0.167 4.478 4.640 0.008 0.000 0.192 811 D C 1.905 178.350 176.300 0.242 0.000 0.993 811 D CA 2.315 56.568 54.000 0.422 0.000 0.828 811 D CB -0.045 40.891 40.800 0.226 0.000 0.968 811 D HN 0.256 nan 8.370 nan 0.000 0.448 812 S N -0.025 115.750 115.700 0.126 0.000 2.382 812 S HA -0.137 4.338 4.470 0.008 0.000 0.228 812 S C 2.201 176.860 174.600 0.098 0.000 1.027 812 S CA 1.179 59.361 58.200 -0.029 0.000 0.991 812 S CB -0.715 62.450 63.200 -0.059 0.000 0.823 812 S HN 0.374 nan 8.310 nan 0.000 0.469 813 A N 1.370 124.351 122.820 0.268 0.000 1.845 813 A HA 0.123 4.448 4.320 0.008 0.000 0.215 813 A C 1.946 179.880 177.584 0.583 0.000 1.195 813 A CA 1.386 53.657 52.037 0.391 0.000 0.616 813 A CB -1.217 17.970 19.000 0.313 0.000 0.832 813 A HN 0.501 nan 8.150 nan 0.000 0.443 814 F N -0.369 119.934 119.950 0.588 0.000 2.216 814 F HA -0.078 4.454 4.527 0.008 0.000 0.300 814 F C 2.466 178.503 175.800 0.394 0.000 1.085 814 F CA 1.630 60.044 58.000 0.690 0.000 1.326 814 F CB -0.190 39.293 39.000 0.806 0.000 1.027 814 F HN 0.132 nan 8.300 nan 0.000 0.497 815 R N -0.007 120.708 120.500 0.358 0.000 2.096 815 R HA -0.122 4.223 4.340 0.008 0.000 0.235 815 R C 2.486 178.957 176.300 0.284 0.000 1.127 815 R CA 1.286 57.483 56.100 0.162 0.000 0.968 815 R CB -0.828 29.393 30.300 -0.132 0.000 0.861 815 R HN 0.378 nan 8.270 nan 0.000 0.440 816 G N 0.318 109.286 108.800 0.280 0.000 2.408 816 G HA2 -0.225 3.740 3.960 0.008 0.000 0.217 816 G HA3 -0.225 3.740 3.960 0.008 0.000 0.217 816 G C 1.363 176.358 174.900 0.160 0.000 1.150 816 G CA 0.355 45.636 45.100 0.301 0.000 0.776 816 G HN 0.322 nan 8.290 nan 0.000 0.542 817 I N -0.016 120.608 120.570 0.089 0.000 2.617 817 I HA -0.059 4.116 4.170 0.008 0.000 0.256 817 I C 2.411 178.511 176.117 -0.028 0.000 1.167 817 I CA 0.371 61.595 61.300 -0.127 0.000 1.469 817 I CB 0.095 37.753 38.000 -0.571 0.000 1.098 817 I HN 0.183 nan 8.210 nan 0.000 0.436 818 C N 0.115 119.500 119.300 0.142 0.000 2.457 818 C HA -0.110 4.355 4.460 0.008 0.000 0.278 818 C C 2.710 177.743 174.990 0.070 0.000 1.309 818 C CA 1.408 60.510 59.018 0.140 0.000 1.735 818 C CB -1.141 26.734 27.740 0.224 0.000 1.992 818 C HN 0.482 nan 8.230 nan 0.000 0.493 819 T N 0.846 115.458 114.554 0.097 0.000 2.915 819 T HA -0.101 4.254 4.350 0.008 0.000 0.269 819 T C 1.721 176.426 174.700 0.007 0.000 1.071 819 T CA 1.305 63.435 62.100 0.051 0.000 1.132 819 T CB -0.196 68.704 68.868 0.054 0.000 0.878 819 T HN 0.490 nan 8.240 nan 0.000 0.479 820 M N 0.036 119.636 119.600 -0.000 0.000 2.193 820 M HA 0.177 4.662 4.480 0.008 0.000 0.265 820 M C 2.056 178.315 176.300 -0.068 0.000 1.071 820 M CA 1.182 56.464 55.300 -0.029 0.000 1.140 820 M CB -0.291 32.297 32.600 -0.019 0.000 1.369 820 M HN 0.163 nan 8.290 nan 0.000 0.423 821 I N -0.153 120.352 120.570 -0.108 0.000 2.208 821 I HA -0.310 3.865 4.170 0.008 0.000 0.245 821 I C 2.658 178.735 176.117 -0.067 0.000 1.097 821 I CA 1.681 62.900 61.300 -0.135 0.000 1.363 821 I CB -0.478 37.379 38.000 -0.239 0.000 1.051 821 I HN 0.376 nan 8.210 nan 0.000 0.413 822 S N 0.113 115.790 115.700 -0.037 0.000 2.423 822 S HA -0.087 4.388 4.470 0.008 0.000 0.231 822 S C 1.937 176.525 174.600 -0.021 0.000 1.014 822 S CA 1.009 59.200 58.200 -0.016 0.000 0.965 822 S CB -0.471 62.729 63.200 -0.000 0.000 0.785 822 S HN 0.237 nan 8.310 nan 0.000 0.495 823 V N 2.114 122.012 119.914 -0.027 0.000 2.346 823 V HA 0.102 4.227 4.120 0.008 0.000 0.244 823 V C 1.309 177.386 176.094 -0.028 0.000 1.037 823 V CA 1.516 63.800 62.300 -0.026 0.000 1.029 823 V CB -0.708 31.100 31.823 -0.025 0.000 0.663 823 V HN 0.752 nan 8.190 nan 0.000 0.454 824 N N -0.040 118.637 118.700 -0.037 0.000 2.716 824 N HA 0.191 4.936 4.740 0.008 0.000 0.253 824 N C -2.370 173.110 175.510 -0.050 0.000 1.170 824 N CA -1.286 51.740 53.050 -0.040 0.000 0.807 824 N CB 2.152 40.615 38.487 -0.041 0.000 1.183 824 N HN 0.082 nan 8.380 nan 0.000 0.524 825 P HA -0.058 nan 4.420 nan 0.000 0.220 825 P C 1.279 178.570 177.300 -0.015 0.000 1.152 825 P CA 0.874 63.958 63.100 -0.026 0.000 0.812 825 P CB 0.196 31.890 31.700 -0.011 0.000 0.792 826 S N -0.706 114.984 115.700 -0.016 0.000 2.469 826 S HA -0.064 4.411 4.470 0.008 0.000 0.238 826 S C 2.238 176.830 174.600 -0.013 0.000 0.998 826 S CA 1.163 59.359 58.200 -0.005 0.000 0.957 826 S CB -1.806 61.388 63.200 -0.010 0.000 0.764 826 S HN 0.232 nan 8.310 nan 0.000 0.514 827 G N 1.225 109.996 108.800 -0.048 0.000 2.471 827 G HA2 -0.014 3.951 3.960 0.008 0.000 0.219 827 G HA3 -0.014 3.951 3.960 0.008 0.000 0.219 827 G C 1.234 176.085 174.900 -0.083 0.000 1.125 827 G CA 0.940 45.987 45.100 -0.087 0.000 0.775 827 G HN 0.539 nan 8.290 nan 0.000 0.548 828 V N 0.409 120.298 119.914 -0.042 0.000 2.949 828 V HA 0.120 4.245 4.120 0.008 0.000 0.245 828 V C 2.587 178.768 176.094 0.144 0.000 1.086 828 V CA 0.305 62.607 62.300 0.002 0.000 1.097 828 V CB -0.232 31.574 31.823 -0.029 0.000 0.762 828 V HN 0.297 nan 8.190 nan 0.000 0.470 829 I N 0.421 121.084 120.570 0.155 0.000 2.091 829 I HA -0.371 3.804 4.170 0.008 0.000 0.239 829 I C 2.708 178.943 176.117 0.197 0.000 1.061 829 I CA 1.989 63.421 61.300 0.219 0.000 1.317 829 I CB -0.450 37.662 38.000 0.188 0.000 1.031 829 I HN 0.286 nan 8.210 nan 0.000 0.401 830 Q N 0.452 120.325 119.800 0.121 0.000 2.217 830 Q HA -0.215 4.131 4.340 0.008 0.000 0.209 830 Q C 0.548 176.598 176.000 0.084 0.000 0.988 830 Q CA 1.625 57.484 55.803 0.092 0.000 0.878 830 Q CB 0.010 28.780 28.738 0.053 0.000 0.909 830 Q HN 0.513 nan 8.270 nan 0.000 0.424 831 D N -1.436 119.019 120.400 0.092 0.000 2.696 831 D HA 0.037 4.683 4.640 0.008 0.000 0.269 831 D C 0.039 176.404 176.300 0.109 0.000 1.319 831 D CA -0.177 53.854 54.000 0.051 0.000 0.826 831 D CB -0.029 40.846 40.800 0.126 0.000 1.086 831 D HN 0.175 nan 8.370 nan 0.000 0.481 832 F N 1.414 121.358 119.950 -0.009 0.000 2.333 832 F HA -0.111 4.421 4.527 0.009 0.000 0.300 832 F C 1.915 177.838 175.800 0.205 0.000 1.083 832 F CA 1.007 58.978 58.000 -0.047 0.000 1.395 832 F CB -0.074 38.558 39.000 -0.613 0.000 1.056 832 F HN -0.050 nan 8.300 nan 0.000 0.529 833 I N -1.275 119.483 120.570 0.313 0.000 2.248 833 I HA -0.335 3.840 4.170 0.008 0.000 0.248 833 I C 1.960 178.153 176.117 0.125 0.000 1.107 833 I CA 1.119 62.484 61.300 0.108 0.000 1.373 833 I CB -0.779 37.009 38.000 -0.353 0.000 1.055 833 I HN -0.013 nan 8.210 nan 0.000 0.418 834 F N 0.015 120.028 119.950 0.105 0.000 2.234 834 F HA -0.086 4.447 4.527 0.009 0.000 0.296 834 F C 2.271 178.132 175.800 0.101 0.000 1.089 834 F CA 0.544 58.601 58.000 0.096 0.000 1.343 834 F CB -1.086 37.973 39.000 0.098 0.000 1.040 834 F HN 0.013 nan 8.300 nan 0.000 0.498 835 F N 0.225 120.190 119.950 0.024 0.000 2.134 835 F HA -0.223 4.309 4.527 0.008 0.000 0.299 835 F C 2.388 178.097 175.800 -0.151 0.000 1.097 835 F CA 1.113 59.018 58.000 -0.159 0.000 1.264 835 F CB -0.837 37.839 39.000 -0.541 0.000 1.001 835 F HN -0.043 nan 8.300 nan 0.000 0.479 836 C N 0.274 119.434 119.300 -0.232 0.000 2.432 836 C HA -0.197 4.268 4.460 0.008 0.000 0.277 836 C C 2.616 177.555 174.990 -0.085 0.000 1.249 836 C CA 1.437 60.346 59.018 -0.181 0.000 1.725 836 C CB -1.202 26.657 27.740 0.198 0.000 2.028 836 C HN 0.551 nan 8.230 nan 0.000 0.477 837 D N 0.733 121.209 120.400 0.128 0.000 2.149 837 D HA -0.104 4.541 4.640 0.008 0.000 0.198 837 D C 2.167 178.507 176.300 0.068 0.000 0.990 837 D CA 1.746 55.834 54.000 0.146 0.000 0.839 837 D CB -0.187 40.761 40.800 0.247 0.000 0.948 837 D HN 0.449 nan 8.370 nan 0.000 0.460 838 A N -0.294 122.569 122.820 0.071 0.000 1.930 838 A HA -0.024 4.301 4.320 0.008 0.000 0.215 838 A C 2.538 180.182 177.584 0.101 0.000 1.176 838 A CA 1.082 53.239 52.037 0.200 0.000 0.632 838 A CB -0.456 18.792 19.000 0.414 0.000 0.819 838 A HN 0.188 nan 8.150 nan 0.000 0.445 839 V N -0.159 119.581 119.914 -0.289 0.000 2.453 839 V HA -0.167 3.958 4.120 0.008 0.000 0.247 839 V C 2.892 178.871 176.094 -0.192 0.000 1.048 839 V CA 1.674 63.603 62.300 -0.618 0.000 1.049 839 V CB -0.937 30.155 31.823 -1.217 0.000 0.672 839 V HN 0.566 nan 8.190 nan 0.000 0.457 840 A N 0.512 123.274 122.820 -0.097 0.000 2.172 840 A HA -0.111 4.215 4.320 0.008 0.000 0.216 840 A C 2.391 180.022 177.584 0.078 0.000 1.154 840 A CA 1.507 53.575 52.037 0.051 0.000 0.701 840 A CB -0.471 18.530 19.000 0.002 0.000 0.789 840 A HN 0.673 nan 8.150 nan 0.000 0.465 841 S N -2.184 113.530 115.700 0.023 0.000 2.496 841 S HA -0.037 4.438 4.470 0.008 0.000 0.224 841 S C 0.248 174.805 174.600 -0.072 0.000 0.996 841 S CA -0.411 57.761 58.200 -0.046 0.000 0.927 841 S CB -0.494 62.635 63.200 -0.118 0.000 0.774 841 S HN 0.518 nan 8.310 nan 0.000 0.524 842 W N 1.255 122.507 121.300 -0.080 0.000 2.303 842 W HA 0.478 5.144 4.660 0.010 0.000 0.318 842 W C 0.967 177.559 176.519 0.122 0.000 1.362 842 W CA -0.671 56.660 57.345 -0.024 0.000 1.234 842 W CB 0.328 29.769 29.460 -0.031 0.000 1.248 842 W HN 0.104 nan 8.180 nan 0.000 0.546 843 I N 2.150 122.909 120.570 0.317 0.000 2.681 843 I HA -0.050 4.125 4.170 0.008 0.000 0.247 843 I C 0.987 177.345 176.117 0.403 0.000 1.091 843 I CA 0.572 62.049 61.300 0.294 0.000 1.442 843 I CB -0.108 37.968 38.000 0.128 0.000 1.219 843 I HN 0.292 nan 8.210 nan 0.000 0.451 844 N N 1.741 120.653 118.700 0.353 0.000 2.918 844 N HA 0.256 5.001 4.740 0.008 0.000 0.270 844 N C -2.601 173.107 175.510 0.329 0.000 1.536 844 N CA -2.017 51.219 53.050 0.310 0.000 0.877 844 N CB 0.523 39.126 38.487 0.194 0.000 1.190 844 N HN -0.028 nan 8.380 nan 0.000 0.492 845 P HA 0.206 nan 4.420 nan 0.000 0.278 845 P C -0.376 176.851 177.300 -0.123 0.000 1.238 845 P CA -0.293 62.761 63.100 -0.076 0.000 0.794 845 P CB 1.434 32.885 31.700 -0.416 0.000 0.955 846 K N 1.325 121.621 120.400 -0.172 0.000 2.469 846 K HA -0.020 4.305 4.320 0.008 0.000 0.274 846 K C 1.226 177.717 176.600 -0.180 0.000 0.983 846 K CA -0.018 56.189 56.287 -0.132 0.000 0.974 846 K CB 0.228 32.654 32.500 -0.123 0.000 0.913 846 K HN 0.396 nan 8.250 nan 0.000 0.493 847 D N 2.261 122.595 120.400 -0.111 0.000 2.116 847 D HA -0.209 4.436 4.640 0.008 0.000 0.193 847 D C 1.355 177.574 176.300 -0.135 0.000 0.998 847 D CA 1.696 55.634 54.000 -0.103 0.000 0.836 847 D CB -0.072 40.697 40.800 -0.052 0.000 0.951 847 D HN 0.674 nan 8.370 nan 0.000 0.449 848 D N 0.940 121.262 120.400 -0.131 0.000 2.178 848 D HA -0.152 4.493 4.640 0.008 0.000 0.201 848 D C 2.274 178.440 176.300 -0.225 0.000 0.980 848 D CA 0.385 54.306 54.000 -0.133 0.000 0.842 848 D CB -0.737 40.008 40.800 -0.092 0.000 0.948 848 D HN 0.213 nan 8.370 nan 0.000 0.472 849 L N 0.506 121.522 121.223 -0.346 0.000 2.072 849 L HA 0.022 4.367 4.340 0.008 0.000 0.205 849 L C 2.661 179.039 176.870 -0.821 0.000 1.079 849 L CA 1.347 55.806 54.840 -0.635 0.000 0.752 849 L CB -0.585 40.999 42.059 -0.791 0.000 0.906 849 L HN -0.104 nan 8.230 nan 0.000 0.436 850 R N -0.493 119.691 120.500 -0.525 0.000 2.117 850 R HA -0.198 4.147 4.340 0.008 0.000 0.243 850 R C 1.750 178.012 176.300 -0.063 0.000 1.143 850 R CA 1.984 57.935 56.100 -0.248 0.000 0.968 850 R CB -0.287 29.871 30.300 -0.236 0.000 0.863 850 R HN 0.461 nan 8.270 nan 0.000 0.444 851 D N 0.023 120.358 120.400 -0.108 0.000 2.144 851 D HA -0.148 4.497 4.640 0.008 0.000 0.200 851 D C 1.918 178.214 176.300 -0.007 0.000 0.978 851 D CA 1.334 55.322 54.000 -0.021 0.000 0.833 851 D CB -0.162 40.616 40.800 -0.036 0.000 0.961 851 D HN 0.316 nan 8.370 nan 0.000 0.470 852 M N -0.365 119.174 119.600 -0.101 0.000 2.108 852 M HA -0.113 4.372 4.480 0.008 0.000 0.261 852 M C 2.119 178.499 176.300 0.133 0.000 1.066 852 M CA 1.367 56.648 55.300 -0.032 0.000 1.107 852 M CB -0.402 32.130 32.600 -0.114 0.000 1.356 852 M HN -0.014 nan 8.290 nan 0.000 0.406 853 F N -0.898 119.052 119.950 -0.000 0.000 2.171 853 F HA -0.305 4.227 4.527 0.008 0.000 0.300 853 F C 2.880 178.637 175.800 -0.072 0.000 1.090 853 F CA 0.486 58.434 58.000 -0.088 0.000 1.293 853 F CB -0.546 38.212 39.000 -0.403 0.000 1.013 853 F HN 0.324 nan 8.300 nan 0.000 0.486 854 C N 1.181 120.620 119.300 0.231 0.000 2.453 854 C HA -0.156 4.309 4.460 0.008 0.000 0.277 854 C C 2.716 177.875 174.990 0.281 0.000 1.262 854 C CA 1.241 60.437 59.018 0.296 0.000 1.718 854 C CB -0.921 26.996 27.740 0.295 0.000 2.031 854 C HN 0.375 nan 8.230 nan 0.000 0.480 855 K N 0.231 120.745 120.400 0.190 0.000 2.057 855 K HA -0.101 4.224 4.320 0.008 0.000 0.207 855 K C 1.746 178.459 176.600 0.188 0.000 1.049 855 K CA 1.770 58.149 56.287 0.153 0.000 0.931 855 K CB -0.238 32.317 32.500 0.092 0.000 0.714 855 K HN 0.562 nan 8.250 nan 0.000 0.440 856 I N 1.047 121.756 120.570 0.231 0.000 2.113 856 I HA -0.308 3.867 4.170 0.008 0.000 0.238 856 I C 2.219 178.544 176.117 0.347 0.000 1.070 856 I CA 1.265 62.734 61.300 0.282 0.000 1.332 856 I CB -0.323 37.886 38.000 0.348 0.000 1.044 856 I HN 0.100 nan 8.210 nan 0.000 0.402 857 L N -0.167 121.273 121.223 0.362 0.000 2.043 857 L HA -0.306 4.039 4.340 0.008 0.000 0.212 857 L C 2.759 179.617 176.870 -0.019 0.000 1.075 857 L CA 1.462 56.464 54.840 0.269 0.000 0.752 857 L CB -0.937 41.172 42.059 0.084 0.000 0.891 857 L HN 0.396 nan 8.230 nan 0.000 0.432 858 H N -0.617 118.459 119.070 0.010 0.000 2.299 858 H HA -0.088 4.473 4.556 0.008 0.000 0.302 858 H C 2.203 177.478 175.328 -0.089 0.000 1.078 858 H CA 1.505 57.502 56.048 -0.086 0.000 1.323 858 H CB -0.416 29.323 29.762 -0.039 0.000 1.381 858 H HN 0.372 nan 8.280 nan 0.000 0.498 859 G N 0.845 109.707 108.800 0.103 0.000 2.574 859 G HA2 -0.337 3.628 3.960 0.008 0.000 0.220 859 G HA3 -0.337 3.628 3.960 0.008 0.000 0.220 859 G C 1.702 176.572 174.900 -0.050 0.000 1.173 859 G CA 1.098 46.215 45.100 0.029 0.000 0.772 859 G HN 0.377 nan 8.290 nan 0.000 0.585 860 F N 1.466 121.272 119.950 -0.241 0.000 2.075 860 F HA -0.007 4.525 4.527 0.009 0.000 0.297 860 F C 2.657 178.249 175.800 -0.347 0.000 1.113 860 F CA 2.261 60.001 58.000 -0.433 0.000 1.218 860 F CB -0.208 38.228 39.000 -0.939 0.000 0.984 860 F HN 0.109 nan 8.300 nan 0.000 0.472 861 K N 0.241 120.455 120.400 -0.309 0.000 2.063 861 K HA -0.228 4.097 4.320 0.008 0.000 0.208 861 K C 1.846 178.268 176.600 -0.296 0.000 1.048 861 K CA 1.749 57.773 56.287 -0.437 0.000 0.928 861 K CB -0.305 31.696 32.500 -0.832 0.000 0.713 861 K HN 0.315 nan 8.250 nan 0.000 0.442 862 N N 0.730 119.299 118.700 -0.218 0.000 2.166 862 N HA -0.151 4.594 4.740 0.008 0.000 0.186 862 N C 1.826 177.230 175.510 -0.177 0.000 1.019 862 N CA 0.962 53.925 53.050 -0.146 0.000 0.856 862 N CB -0.130 38.307 38.487 -0.084 0.000 0.993 862 N HN 0.311 nan 8.380 nan 0.000 0.426 863 Q N 0.550 120.196 119.800 -0.257 0.000 2.016 863 Q HA -0.037 4.308 4.340 0.008 0.000 0.200 863 Q C 2.053 177.867 176.000 -0.310 0.000 0.978 863 Q CA 0.835 56.470 55.803 -0.280 0.000 0.833 863 Q CB -0.654 27.872 28.738 -0.353 0.000 0.895 863 Q HN 0.178 nan 8.270 nan 0.000 0.427 864 V N -0.152 119.485 119.914 -0.462 0.000 3.041 864 V HA 0.100 4.225 4.120 0.008 0.000 0.260 864 V C 0.625 176.619 176.094 -0.166 0.000 1.105 864 V CA 1.260 63.334 62.300 -0.377 0.000 1.125 864 V CB -0.504 30.950 31.823 -0.614 0.000 0.730 864 V HN 0.587 nan 8.190 nan 0.000 0.479 865 G N -0.068 108.652 108.800 -0.133 0.000 2.733 865 G HA2 -0.207 3.758 3.960 0.008 0.000 0.686 865 G HA3 -0.207 3.758 3.960 0.008 0.000 0.686 865 G C 0.010 174.934 174.900 0.040 0.000 1.373 865 G CA -0.002 45.070 45.100 -0.046 0.000 0.838 865 G HN 0.255 nan 8.290 nan 0.000 0.588 866 D N 0.528 120.960 120.400 0.053 0.000 2.133 866 D HA -0.098 4.547 4.640 0.008 0.000 0.195 866 D C 2.168 178.574 176.300 0.176 0.000 0.997 866 D CA 1.875 55.947 54.000 0.120 0.000 0.840 866 D CB 0.166 41.014 40.800 0.081 0.000 0.947 866 D HN 0.734 nan 8.370 nan 0.000 0.452 867 E N 0.386 120.654 120.200 0.113 0.000 2.028 867 E HA -0.113 4.242 4.350 0.008 0.000 0.191 867 E C 1.953 178.624 176.600 0.119 0.000 0.988 867 E CA 0.541 57.002 56.400 0.102 0.000 0.799 867 E CB 0.065 29.802 29.700 0.061 0.000 0.755 867 E HN 0.142 nan 8.360 nan 0.000 0.447 868 N N 0.580 119.344 118.700 0.107 0.000 2.166 868 N HA -0.190 4.555 4.740 0.008 0.000 0.186 868 N C 1.333 176.961 175.510 0.196 0.000 1.019 868 N CA 0.822 53.938 53.050 0.111 0.000 0.856 868 N CB -0.428 38.088 38.487 0.049 0.000 0.993 868 N HN 0.386 nan 8.380 nan 0.000 0.426 869 W N 2.646 123.987 121.300 0.068 0.000 2.335 869 W HA -0.151 4.514 4.660 0.008 0.000 0.311 869 W C 2.147 178.815 176.519 0.249 0.000 1.213 869 W CA 1.187 58.631 57.345 0.164 0.000 1.274 869 W CB -0.373 29.146 29.460 0.099 0.000 1.148 869 W HN 0.078 nan 8.180 nan 0.000 0.498 870 R N 0.548 121.188 120.500 0.233 0.000 2.103 870 R HA -0.243 4.102 4.340 0.008 0.000 0.242 870 R C 2.537 178.850 176.300 0.023 0.000 1.142 870 R CA 2.173 58.350 56.100 0.129 0.000 0.960 870 R CB -0.475 29.920 30.300 0.157 0.000 0.858 870 R HN 0.135 nan 8.270 nan 0.000 0.439 871 R N -0.845 119.681 120.500 0.044 0.000 2.073 871 R HA -0.147 4.198 4.340 0.008 0.000 0.234 871 R C 2.173 178.450 176.300 -0.037 0.000 1.134 871 R CA 1.856 57.965 56.100 0.014 0.000 0.952 871 R CB -0.424 29.902 30.300 0.044 0.000 0.850 871 R HN 0.222 nan 8.270 nan 0.000 0.433 872 F N 1.089 120.925 119.950 -0.190 0.000 2.161 872 F HA -0.237 4.295 4.527 0.008 0.000 0.300 872 F C 2.043 177.598 175.800 -0.407 0.000 1.089 872 F CA 1.820 59.650 58.000 -0.282 0.000 1.282 872 F CB -0.009 38.853 39.000 -0.230 0.000 1.010 872 F HN -0.037 nan 8.300 nan 0.000 0.485 873 S N -0.327 115.216 115.700 -0.262 0.000 2.453 873 S HA -0.145 4.330 4.470 0.008 0.000 0.231 873 S C 1.422 176.033 174.600 0.018 0.000 1.005 873 S CA 0.953 59.144 58.200 -0.015 0.000 0.949 873 S CB -0.390 62.767 63.200 -0.071 0.000 0.774 873 S HN 0.430 nan 8.310 nan 0.000 0.510 874 D N 2.127 122.461 120.400 -0.111 0.000 2.218 874 D HA -0.103 4.543 4.640 0.008 0.000 0.204 874 D C 1.942 178.143 176.300 -0.165 0.000 0.976 874 D CA 0.850 54.798 54.000 -0.087 0.000 0.853 874 D CB -0.245 40.508 40.800 -0.078 0.000 0.939 874 D HN 0.531 nan 8.370 nan 0.000 0.481 875 Q N -0.448 119.124 119.800 -0.380 0.000 2.170 875 Q HA -0.075 4.270 4.340 0.008 0.000 0.203 875 Q C 0.382 176.138 176.000 -0.406 0.000 0.976 875 Q CA 0.457 55.970 55.803 -0.483 0.000 0.858 875 Q CB -0.079 28.189 28.738 -0.782 0.000 0.907 875 Q HN 0.295 nan 8.270 nan 0.000 0.433 876 F N 1.633 121.478 119.950 -0.174 0.000 2.518 876 F HA 0.103 4.635 4.527 0.008 0.000 0.359 876 F C -1.648 174.118 175.800 -0.057 0.000 1.118 876 F CA -2.362 55.577 58.000 -0.102 0.000 1.287 876 F CB -0.203 38.754 39.000 -0.072 0.000 1.132 876 F HN -0.052 nan 8.300 nan 0.000 0.587 877 P HA -0.076 nan 4.420 nan 0.000 0.270 877 P C 0.761 178.122 177.300 0.101 0.000 1.221 877 P CA -0.162 62.994 63.100 0.093 0.000 0.788 877 P CB 0.596 32.343 31.700 0.078 0.000 0.904 878 L N 3.651 124.913 121.223 0.064 0.000 1.989 878 L HA -0.112 4.233 4.340 0.008 0.000 0.211 878 L C -0.890 176.010 176.870 0.049 0.000 1.071 878 L CA 2.619 57.492 54.840 0.055 0.000 0.749 878 L CB -1.834 40.247 42.059 0.037 0.000 0.890 878 L HN 0.443 nan 8.230 nan 0.000 0.431 879 P HA -0.150 nan 4.420 nan 0.000 0.225 879 P C 1.872 179.191 177.300 0.031 0.000 1.148 879 P CA 0.975 64.092 63.100 0.028 0.000 0.779 879 P CB 0.018 31.731 31.700 0.023 0.000 0.780 880 L N -0.125 121.124 121.223 0.043 0.000 2.034 880 L HA -0.066 4.279 4.340 0.008 0.000 0.203 880 L C 2.115 178.952 176.870 -0.055 0.000 1.074 880 L CA 1.879 56.727 54.840 0.014 0.000 0.748 880 L CB -1.042 41.069 42.059 0.087 0.000 0.905 880 L HN -0.033 nan 8.230 nan 0.000 0.439 881 K N -0.308 120.089 120.400 -0.005 0.000 2.077 881 K HA -0.242 4.083 4.320 0.008 0.000 0.213 881 K C 1.831 178.450 176.600 0.031 0.000 1.051 881 K CA 1.721 58.010 56.287 0.003 0.000 0.929 881 K CB 0.001 32.558 32.500 0.095 0.000 0.715 881 K HN 0.291 nan 8.250 nan 0.000 0.451 882 E N 0.144 120.367 120.200 0.038 0.000 2.072 882 E HA -0.173 4.182 4.350 0.008 0.000 0.191 882 E C 2.017 178.637 176.600 0.033 0.000 0.985 882 E CA 0.939 57.361 56.400 0.037 0.000 0.801 882 E CB -0.155 29.558 29.700 0.021 0.000 0.750 882 E HN 0.267 nan 8.360 nan 0.000 0.452 883 R N 0.503 121.024 120.500 0.035 0.000 2.070 883 R HA -0.100 4.245 4.340 0.008 0.000 0.233 883 R C 2.493 178.887 176.300 0.156 0.000 1.137 883 R CA 0.991 57.127 56.100 0.060 0.000 0.945 883 R CB -0.321 30.040 30.300 0.100 0.000 0.845 883 R HN 0.053 nan 8.270 nan 0.000 0.430 884 L N 0.513 121.850 121.223 0.190 0.000 2.127 884 L HA -0.174 4.171 4.340 0.008 0.000 0.211 884 L C 2.530 179.578 176.870 0.297 0.000 1.089 884 L CA 1.850 56.893 54.840 0.338 0.000 0.757 884 L CB -0.440 41.711 42.059 0.153 0.000 0.899 884 L HN 0.345 nan 8.230 nan 0.000 0.434 885 A N -0.881 122.048 122.820 0.181 0.000 1.898 885 A HA 0.020 4.345 4.320 0.008 0.000 0.214 885 A C 2.458 180.111 177.584 0.114 0.000 1.183 885 A CA 1.352 53.483 52.037 0.157 0.000 0.622 885 A CB -0.700 18.380 19.000 0.132 0.000 0.824 885 A HN 0.350 nan 8.150 nan 0.000 0.444 886 A N -1.939 120.917 122.820 0.060 0.000 1.930 886 A HA 0.166 4.491 4.320 0.008 0.000 0.215 886 A C 2.036 179.620 177.584 0.000 0.000 1.176 886 A CA 1.063 53.097 52.037 -0.005 0.000 0.632 886 A CB -0.483 18.462 19.000 -0.092 0.000 0.819 886 A HN 0.546 nan 8.150 nan 0.000 0.445 887 F N -2.331 117.493 119.950 -0.209 0.000 2.374 887 F HA 0.035 4.567 4.527 0.008 0.000 0.291 887 F C 1.361 176.828 175.800 -0.554 0.000 1.084 887 F CA 0.616 58.310 58.000 -0.510 0.000 1.413 887 F CB 0.484 38.922 39.000 -0.937 0.000 1.099 887 F HN 0.321 nan 8.300 nan 0.000 0.534 888 Y N -0.922 119.548 120.300 0.282 0.000 2.527 888 Y HA 0.356 4.911 4.550 0.008 0.000 0.247 888 Y C 1.296 177.333 175.900 0.229 0.000 1.138 888 Y CA 0.194 58.417 58.100 0.204 0.000 1.228 888 Y CB 0.618 39.166 38.460 0.146 0.000 1.252 888 Y HN 0.018 nan 8.280 nan 0.000 0.531 889 G N 1.319 110.282 108.800 0.271 0.000 2.246 889 G HA2 -0.225 3.740 3.960 0.008 0.000 0.273 889 G HA3 -0.225 3.740 3.960 0.008 0.000 0.273 889 G C -0.280 174.720 174.900 0.167 0.000 1.055 889 G CA 0.409 45.649 45.100 0.233 0.000 0.851 889 G HN 0.184 nan 8.290 nan 0.000 0.500 890 V N 0.000 119.966 119.914 0.087 0.000 2.409 890 V HA 0.000 4.125 4.120 0.008 0.000 0.244 890 V CA 0.000 62.258 62.300 -0.070 0.000 1.235 890 V CB 0.000 31.663 31.823 -0.267 0.000 1.184 890 V HN 0.000 nan 8.190 nan 0.000 0.556