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_C DATA FIRST_RESID 5 DATA SEQUENCE WKPDEQGLQQ ILQLLKEXXX XXXXXQRTVQ QKLEQLNQYP DFNNYLIFVL DATA SEQUENCE TKLKSEDEPT RSLSGLILKN NVKAHFQNFP NGVTDFIKSE CLNNIGDSSP DATA SEQUENCE LIRATVGILI TTIASKGELQ NWPDLLPKLC SLLDSEDYNT CEGAFGALQK DATA SEQUENCE ICEDXXXXXD SDVLDRPLNI MIPKFLQFFK HSSPKIRSHA VACVNQFIIS DATA SEQUENCE RTQALMLHID SFIENLFALA GDEEPEVRKN VCRALVMLLE VRMDRLLPHM DATA SEQUENCE HNIVEYMLQR TQDQDENVAL EACEFWLTLA EQPICKDVLV RHLPKLIPVL DATA SEQUENCE VNGMKYSDID IILLKXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXTISDWN LRKCSAAALD VLANVYRDEL LPHILPLLKE DATA SEQUENCE LLFHHEWVVK ESGILVLGAI AEGCMQGMIP YLPELIPHLI QCLSDKKALV DATA SEQUENCE RSITCWTLSR YAHWVVSQPP DTYLKPLMTE LLKRILDSNK RVQEAACSAF DATA SEQUENCE ATLEEEACTE LVPYLAYILD TLVFAFSKYQ HKNLLILYDA IGTLADSVGH DATA SEQUENCE HLNKPEYIQM LMPPLIQKWN MLKDEDKDLF PLLECLSSVA TALQSGFLPY DATA SEQUENCE CEPVYQRCVN LVQKTLAQAM LNNAQPDQYE APDKDFMIVA LDLLSGLAEG DATA SEQUENCE LGGNIEQLVA RSNILTLMYQ CMQDKMPEVR QSSFALLGDL TKACFQHVKP DATA SEQUENCE CIADFMPILG TNLNPEFISV CNNATWAIGE ISIQMGIEMQ PYIPMVLHQL DATA SEQUENCE VEIINRPNTP KTLLENTAIT IGRLGYVCPQ EVAPMLQQFI RPWCTSLRNI DATA SEQUENCE RDNEEKDSAF RGICTMISVN PSGVIQDFIF FCDAVASWIN PKDDLRDMFC DATA SEQUENCE KILHGFKNQV GDENWRRFSD QFPLPLKERL AAFYGV 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 5 W HA 0.000 nan 4.660 nan 0.000 0.303 5 W C 0.000 176.541 176.519 0.036 0.000 1.175 5 W CA 0.000 57.362 57.345 0.028 0.000 1.226 5 W CB 0.000 29.476 29.460 0.027 0.000 1.126 6 K N 0.433 120.856 120.400 0.038 0.000 2.504 6 K HA 0.562 4.881 4.320 -0.002 0.000 0.195 6 K C -0.131 176.509 176.600 0.066 0.000 1.036 6 K CA 2.303 58.620 56.287 0.050 0.000 0.984 6 K CB -0.480 32.048 32.500 0.048 0.000 0.788 6 K HN 1.427 nan 8.250 nan 0.000 0.488 7 P HA 0.230 nan 4.420 nan 0.000 0.529 7 P C 1.295 178.618 177.300 0.038 0.000 0.995 7 P CA 1.249 64.379 63.100 0.050 0.000 2.444 7 P CB 0.668 32.390 31.700 0.038 0.000 1.161 8 D N -0.606 119.814 120.400 0.032 0.000 2.310 8 D HA 0.144 4.783 4.640 -0.002 0.000 0.212 8 D C 1.760 178.077 176.300 0.028 0.000 0.965 8 D CA 2.090 56.105 54.000 0.025 0.000 0.879 8 D CB -0.630 40.183 40.800 0.021 0.000 0.921 8 D HN 0.594 nan 8.370 nan 0.000 0.510 9 E N -1.081 119.142 120.200 0.037 0.000 2.072 9 E HA 0.042 4.391 4.350 -0.002 0.000 0.190 9 E C 2.368 178.997 176.600 0.047 0.000 0.982 9 E CA 1.746 58.170 56.400 0.040 0.000 0.803 9 E CB -1.263 28.465 29.700 0.047 0.000 0.755 9 E HN 0.817 nan 8.360 nan 0.000 0.453 10 Q N -0.016 119.822 119.800 0.063 0.000 2.269 10 Q HA 0.338 4.677 4.340 -0.002 0.000 0.201 10 Q C 2.602 178.620 176.000 0.031 0.000 0.946 10 Q CA 1.357 57.202 55.803 0.070 0.000 0.877 10 Q CB -0.652 28.160 28.738 0.124 0.000 0.963 10 Q HN 0.652 nan 8.270 nan 0.000 0.472 11 G N 0.608 109.421 108.800 0.022 0.000 2.454 11 G HA2 0.101 4.060 3.960 -0.002 0.000 0.214 11 G HA3 0.101 4.060 3.960 -0.002 0.000 0.214 11 G C 1.869 176.772 174.900 0.004 0.000 1.217 11 G CA 2.239 47.343 45.100 0.006 0.000 0.799 11 G HN 1.155 nan 8.290 nan 0.000 0.538 12 L N 0.064 121.292 121.223 0.009 0.000 2.081 12 L HA 0.141 4.480 4.340 -0.002 0.000 0.212 12 L C 3.048 179.919 176.870 0.002 0.000 1.080 12 L CA 3.322 58.165 54.840 0.006 0.000 0.754 12 L CB -1.935 40.129 42.059 0.009 0.000 0.893 12 L HN 0.576 nan 8.230 nan 0.000 0.433 13 Q N -1.300 118.501 119.800 0.002 0.000 2.245 13 Q HA 0.054 4.393 4.340 -0.002 0.000 0.201 13 Q C 2.115 178.108 176.000 -0.012 0.000 0.955 13 Q CA 2.413 58.213 55.803 -0.004 0.000 0.870 13 Q CB -0.875 27.860 28.738 -0.004 0.000 0.945 13 Q HN 1.112 nan 8.270 nan 0.000 0.461 14 Q N -0.998 118.794 119.800 -0.013 0.000 2.391 14 Q HA 0.509 4.848 4.340 -0.002 0.000 0.211 14 Q C 2.218 178.205 176.000 -0.021 0.000 0.908 14 Q CA 1.381 57.170 55.803 -0.023 0.000 0.920 14 Q CB -0.532 28.187 28.738 -0.031 0.000 1.056 14 Q HN 1.274 nan 8.270 nan 0.000 0.523 15 I N -0.784 119.779 120.570 -0.012 0.000 2.867 15 I HA 0.529 4.698 4.170 -0.002 0.000 0.265 15 I C 2.700 178.814 176.117 -0.004 0.000 1.162 15 I CA 1.418 62.713 61.300 -0.007 0.000 1.471 15 I CB -0.944 37.055 38.000 -0.002 0.000 1.123 15 I HN 0.673 nan 8.210 nan 0.000 0.440 16 L N -0.472 120.749 121.223 -0.004 0.000 2.418 16 L HA 0.337 4.676 4.340 -0.002 0.000 0.218 16 L C 2.382 179.249 176.870 -0.005 0.000 1.125 16 L CA 2.052 56.890 54.840 -0.003 0.000 0.835 16 L CB -1.956 40.102 42.059 -0.001 0.000 0.953 16 L HN 0.814 nan 8.230 nan 0.000 0.454 17 Q N -0.841 118.953 119.800 -0.009 0.000 2.354 17 Q HA 0.375 4.714 4.340 -0.002 0.000 0.203 17 Q C 2.246 178.239 176.000 -0.013 0.000 0.933 17 Q CA 1.896 57.693 55.803 -0.011 0.000 0.901 17 Q CB -0.889 27.839 28.738 -0.015 0.000 1.007 17 Q HN 1.297 nan 8.270 nan 0.000 0.495 18 L N -0.486 120.729 121.223 -0.014 0.000 2.162 18 L HA 0.492 4.831 4.340 -0.002 0.000 0.205 18 L C 3.083 179.948 176.870 -0.007 0.000 1.086 18 L CA 1.839 56.670 54.840 -0.014 0.000 0.778 18 L CB -1.723 40.325 42.059 -0.018 0.000 0.928 18 L HN 0.839 nan 8.230 nan 0.000 0.446 19 L N -0.116 121.105 121.223 -0.003 0.000 2.093 19 L HA 0.328 4.667 4.340 -0.002 0.000 0.208 19 L C 2.459 179.329 176.870 -0.000 0.000 1.085 19 L CA 2.117 56.958 54.840 0.001 0.000 0.755 19 L CB -2.090 39.971 42.059 0.003 0.000 0.904 19 L HN 0.743 nan 8.230 nan 0.000 0.435 20 K N 0.791 121.189 120.400 -0.002 0.000 2.480 20 K HA 0.611 4.930 4.320 -0.002 0.000 0.241 20 K C 0.205 176.802 176.600 -0.005 0.000 1.261 20 K CA 0.799 57.084 56.287 -0.003 0.000 1.193 20 K CB -1.578 30.920 32.500 -0.003 0.000 1.598 20 K HN 1.422 nan 8.250 nan 0.000 0.278 31 R N 0.648 121.143 120.500 -0.007 0.000 2.115 31 R HA 0.476 4.815 4.340 -0.002 0.000 0.226 31 R C 2.136 178.431 176.300 -0.009 0.000 1.100 31 R CA 2.924 59.020 56.100 -0.007 0.000 0.980 31 R CB -0.870 29.427 30.300 -0.006 0.000 0.875 31 R HN 1.502 nan 8.270 nan 0.000 0.445 32 T N -2.156 112.391 114.554 -0.010 0.000 3.262 32 T HA 0.595 4.944 4.350 -0.002 0.000 0.300 32 T C 1.865 176.557 174.700 -0.014 0.000 0.959 32 T CA 0.748 62.840 62.100 -0.013 0.000 0.936 32 T CB -0.188 68.672 68.868 -0.013 0.000 1.169 32 T HN 0.468 nan 8.240 nan 0.000 0.532 33 V N 0.562 120.469 119.914 -0.012 0.000 2.379 33 V HA 0.264 4.383 4.120 -0.002 0.000 0.245 33 V C 2.573 178.661 176.094 -0.010 0.000 1.044 33 V CA 2.701 64.994 62.300 -0.011 0.000 1.036 33 V CB -1.084 30.733 31.823 -0.008 0.000 0.664 33 V HN 0.592 nan 8.190 nan 0.000 0.453 34 Q N -0.810 118.983 119.800 -0.011 0.000 2.354 34 Q HA 0.097 4.436 4.340 -0.002 0.000 0.203 34 Q C 2.034 178.024 176.000 -0.017 0.000 0.933 34 Q CA 1.815 57.611 55.803 -0.012 0.000 0.901 34 Q CB -0.904 27.827 28.738 -0.011 0.000 1.007 34 Q HN 1.078 nan 8.270 nan 0.000 0.495 35 Q N -0.155 119.634 119.800 -0.018 0.000 2.369 35 Q HA 0.151 4.490 4.340 -0.002 0.000 0.206 35 Q C 2.233 178.217 176.000 -0.027 0.000 0.963 35 Q CA 2.051 57.842 55.803 -0.021 0.000 0.894 35 Q CB -0.844 27.883 28.738 -0.018 0.000 0.965 35 Q HN 0.889 nan 8.270 nan 0.000 0.475 36 K N -0.829 119.555 120.400 -0.026 0.000 2.262 36 K HA 0.579 4.898 4.320 -0.002 0.000 0.200 36 K C 2.509 179.091 176.600 -0.031 0.000 1.058 36 K CA 1.240 57.508 56.287 -0.032 0.000 0.974 36 K CB -1.249 31.233 32.500 -0.030 0.000 0.910 36 K HN 0.938 nan 8.250 nan 0.000 0.484 37 L N 1.186 122.397 121.223 -0.019 0.000 2.027 37 L HA 0.178 4.517 4.340 -0.002 0.000 0.206 37 L C 2.645 179.503 176.870 -0.019 0.000 1.074 37 L CA 2.897 57.733 54.840 -0.006 0.000 0.745 37 L CB -1.881 40.183 42.059 0.009 0.000 0.898 37 L HN 0.697 nan 8.230 nan 0.000 0.433 38 E N -0.292 119.892 120.200 -0.027 0.000 2.502 38 E HA 0.229 4.578 4.350 -0.002 0.000 0.194 38 E C 1.874 178.443 176.600 -0.052 0.000 1.062 38 E CA 1.071 57.448 56.400 -0.038 0.000 0.867 38 E CB -0.896 28.785 29.700 -0.032 0.000 0.888 38 E HN 1.110 nan 8.360 nan 0.000 0.510 39 Q N -0.957 118.810 119.800 -0.055 0.000 2.246 39 Q HA 0.682 5.021 4.340 -0.002 0.000 0.202 39 Q C 1.191 177.129 176.000 -0.102 0.000 0.883 39 Q CA 0.482 56.243 55.803 -0.071 0.000 0.952 39 Q CB -0.810 27.893 28.738 -0.060 0.000 1.078 39 Q HN 1.173 nan 8.270 nan 0.000 0.493 40 L N 0.790 121.952 121.223 -0.102 0.000 2.407 40 L HA 0.640 4.979 4.340 -0.002 0.000 0.282 40 L C 1.066 177.830 176.870 -0.178 0.000 1.110 40 L CA 0.484 55.242 54.840 -0.137 0.000 0.863 40 L CB -1.617 40.383 42.059 -0.097 0.000 1.207 40 L HN 0.721 nan 8.230 nan 0.000 0.454 41 N N 1.903 120.444 118.700 -0.267 0.000 2.187 41 N HA 0.363 5.102 4.740 -0.002 0.000 0.191 41 N C 1.649 177.006 175.510 -0.256 0.000 1.057 41 N CA 2.770 55.642 53.050 -0.296 0.000 0.913 41 N CB -0.267 37.932 38.487 -0.481 0.000 1.089 41 N HN 1.650 nan 8.380 nan 0.000 0.472 42 Q N -1.753 117.849 119.800 -0.329 0.000 1.982 42 Q HA 0.354 4.693 4.340 -0.002 0.000 0.208 42 Q C 0.439 176.403 176.000 -0.059 0.000 0.751 42 Q CA 0.592 56.312 55.803 -0.138 0.000 0.914 42 Q CB -0.312 28.426 28.738 -0.000 0.000 1.207 42 Q HN 1.251 nan 8.270 nan 0.000 0.433 43 Y N -2.620 117.631 120.300 -0.081 0.000 2.750 43 Y HA 0.506 5.055 4.550 -0.002 0.000 0.247 43 Y C -1.771 174.154 175.900 0.042 0.000 1.098 43 Y CA -1.315 56.766 58.100 -0.031 0.000 1.120 43 Y CB 0.620 39.045 38.460 -0.058 0.000 1.210 43 Y HN 0.111 nan 8.280 nan 0.000 0.601 44 P HA -0.038 nan 4.420 nan 0.000 0.222 44 P C 0.122 177.397 177.300 -0.042 0.000 1.153 44 P CA 1.387 64.426 63.100 -0.102 0.000 0.798 44 P CB 0.551 32.157 31.700 -0.157 0.000 0.796 45 D N -0.241 120.138 120.400 -0.034 0.000 2.117 45 D HA -0.139 4.500 4.640 -0.002 0.000 0.198 45 D C 1.700 178.053 176.300 0.088 0.000 0.982 45 D CA 0.693 54.690 54.000 -0.005 0.000 0.828 45 D CB -1.299 39.519 40.800 0.030 0.000 0.967 45 D HN 0.103 nan 8.370 nan 0.000 0.464 46 F N 2.052 122.010 119.950 0.013 0.000 2.085 46 F HA -0.294 4.232 4.527 -0.002 0.000 0.299 46 F C 1.633 177.358 175.800 -0.125 0.000 1.096 46 F CA 1.519 59.475 58.000 -0.073 0.000 1.227 46 F CB -0.335 38.633 39.000 -0.053 0.000 0.983 46 F HN -0.106 nan 8.300 nan 0.000 0.482 47 N N 0.631 119.133 118.700 -0.330 0.000 2.354 47 N HA -0.145 4.594 4.740 -0.002 0.000 0.179 47 N C 1.355 176.677 175.510 -0.314 0.000 1.021 47 N CA 0.878 53.676 53.050 -0.420 0.000 0.887 47 N CB -0.666 37.746 38.487 -0.125 0.000 0.974 47 N HN 0.387 nan 8.380 nan 0.000 0.437 48 N N 0.664 119.151 118.700 -0.355 0.000 2.334 48 N HA -0.155 4.584 4.740 -0.002 0.000 0.187 48 N C 0.957 176.201 175.510 -0.443 0.000 1.016 48 N CA 0.966 53.739 53.050 -0.461 0.000 0.879 48 N CB -0.166 37.934 38.487 -0.644 0.000 0.965 48 N HN 0.487 nan 8.380 nan 0.000 0.438 49 Y N -0.865 119.421 120.300 -0.024 0.000 2.509 49 Y HA 0.174 4.723 4.550 -0.002 0.000 0.270 49 Y C 1.801 177.735 175.900 0.057 0.000 1.103 49 Y CA -0.279 57.895 58.100 0.123 0.000 1.278 49 Y CB -0.173 38.405 38.460 0.196 0.000 1.087 49 Y HN -0.079 nan 8.280 nan 0.000 0.542 50 L N 0.216 121.464 121.223 0.041 0.000 2.465 50 L HA -0.023 4.316 4.340 -0.002 0.000 0.224 50 L C 1.393 178.270 176.870 0.011 0.000 1.145 50 L CA 1.517 56.359 54.840 0.004 0.000 0.834 50 L CB -0.391 41.601 42.059 -0.111 0.000 0.944 50 L HN 0.242 nan 8.230 nan 0.000 0.451 51 I N -3.136 117.442 120.570 0.012 0.000 3.339 51 I HA -0.043 4.126 4.170 -0.002 0.000 0.285 51 I C 1.634 177.823 176.117 0.120 0.000 1.201 51 I CA 0.280 61.599 61.300 0.033 0.000 1.434 51 I CB -0.017 37.977 38.000 -0.010 0.000 1.152 51 I HN 0.139 nan 8.210 nan 0.000 0.443 52 F N 0.490 120.422 119.950 -0.029 0.000 2.559 52 F HA 0.193 4.719 4.527 -0.002 0.000 0.286 52 F C 1.735 177.579 175.800 0.073 0.000 1.108 52 F CA 0.778 58.782 58.000 0.007 0.000 1.436 52 F CB 0.249 39.230 39.000 -0.031 0.000 1.130 52 F HN -0.266 nan 8.300 nan 0.000 0.584 53 V N -0.423 119.490 119.914 -0.001 0.000 2.911 53 V HA 0.031 4.149 4.120 -0.002 0.000 0.237 53 V C 1.985 178.067 176.094 -0.020 0.000 1.156 53 V CA 0.798 63.047 62.300 -0.086 0.000 1.180 53 V CB -0.000 31.889 31.823 0.110 0.000 0.932 53 V HN 0.188 nan 8.190 nan 0.000 0.483 54 L N -0.023 121.232 121.223 0.054 0.000 2.162 54 L HA 0.068 4.407 4.340 -0.002 0.000 0.205 54 L C 1.565 178.447 176.870 0.020 0.000 1.086 54 L CA 1.122 55.989 54.840 0.045 0.000 0.778 54 L CB -0.021 42.086 42.059 0.080 0.000 0.928 54 L HN 0.291 nan 8.230 nan 0.000 0.446 55 T N 0.584 115.149 114.554 0.018 0.000 2.855 55 T HA 0.269 4.618 4.350 -0.002 0.000 0.290 55 T C 0.696 175.395 174.700 -0.001 0.000 0.941 55 T CA 0.473 62.579 62.100 0.011 0.000 1.030 55 T CB 0.617 69.495 68.868 0.016 0.000 0.935 55 T HN 0.294 nan 8.240 nan 0.000 0.564 56 K N 3.809 124.207 120.400 -0.003 0.000 2.065 56 K HA 0.443 4.762 4.320 -0.002 0.000 0.211 56 K C 2.476 179.076 176.600 0.001 0.000 1.025 56 K CA 1.037 57.320 56.287 -0.007 0.000 0.948 56 K CB -1.247 31.248 32.500 -0.008 0.000 0.798 56 K HN 0.749 nan 8.250 nan 0.000 0.450 57 L N 1.110 122.335 121.223 0.004 0.000 2.552 57 L HA 0.351 4.690 4.340 -0.002 0.000 0.227 57 L C 2.619 179.494 176.870 0.009 0.000 1.146 57 L CA 2.131 56.975 54.840 0.007 0.000 0.858 57 L CB -2.169 39.894 42.059 0.007 0.000 0.969 57 L HN 0.784 nan 8.230 nan 0.000 0.451 58 K N -0.297 120.108 120.400 0.009 0.000 2.074 58 K HA 0.553 4.872 4.320 -0.002 0.000 0.214 58 K C 1.829 178.436 176.600 0.011 0.000 1.029 58 K CA 1.026 57.319 56.287 0.011 0.000 0.966 58 K CB -1.252 31.256 32.500 0.012 0.000 0.945 58 K HN 1.230 nan 8.250 nan 0.000 0.453 59 S N 1.897 117.605 115.700 0.013 0.000 3.266 59 S HA 0.374 4.843 4.470 -0.002 0.000 0.209 59 S C 1.047 175.658 174.600 0.018 0.000 1.409 59 S CA 0.447 58.656 58.200 0.015 0.000 1.179 59 S CB -0.673 62.536 63.200 0.015 0.000 1.218 59 S HN 0.580 nan 8.310 nan 0.000 0.514 60 E N 1.078 121.287 120.200 0.015 0.000 2.106 60 E HA -0.130 4.219 4.350 -0.002 0.000 0.192 60 E C 0.101 176.713 176.600 0.021 0.000 0.984 60 E CA 0.366 56.775 56.400 0.014 0.000 0.806 60 E CB -0.735 28.971 29.700 0.010 0.000 0.750 60 E HN 0.574 nan 8.360 nan 0.000 0.458 61 D N 2.189 122.602 120.400 0.021 0.000 3.941 61 D HA -0.189 4.450 4.640 -0.002 0.000 0.225 61 D C 0.061 176.382 176.300 0.035 0.000 1.298 61 D CA 0.688 54.703 54.000 0.025 0.000 0.835 61 D CB 0.396 41.209 40.800 0.021 0.000 1.205 61 D HN 0.406 nan 8.370 nan 0.000 0.644 62 E N 2.435 122.657 120.200 0.037 0.000 2.097 62 E HA -0.185 4.164 4.350 -0.002 0.000 0.196 62 E C -0.730 175.909 176.600 0.065 0.000 1.000 62 E CA 1.306 57.736 56.400 0.052 0.000 0.804 62 E CB -0.669 29.058 29.700 0.045 0.000 0.740 62 E HN 0.482 nan 8.360 nan 0.000 0.454 63 P HA -0.196 nan 4.420 nan 0.000 0.216 63 P C 1.205 178.532 177.300 0.045 0.000 1.154 63 P CA 1.678 64.803 63.100 0.043 0.000 0.865 63 P CB -0.053 31.665 31.700 0.029 0.000 0.789 64 T N -1.348 113.233 114.554 0.045 0.000 2.812 64 T HA -0.041 4.308 4.350 -0.002 0.000 0.264 64 T C 1.813 176.554 174.700 0.068 0.000 1.042 64 T CA 0.963 63.087 62.100 0.040 0.000 1.140 64 T CB -0.402 68.485 68.868 0.030 0.000 0.870 64 T HN 0.113 nan 8.240 nan 0.000 0.445 65 R N 1.537 122.106 120.500 0.114 0.000 2.082 65 R HA -0.092 4.247 4.340 -0.002 0.000 0.234 65 R C 2.958 179.460 176.300 0.336 0.000 1.136 65 R CA 1.869 58.110 56.100 0.235 0.000 0.935 65 R CB -0.524 29.899 30.300 0.204 0.000 0.842 65 R HN 0.480 nan 8.270 nan 0.000 0.430 66 S N 0.747 116.611 115.700 0.274 0.000 2.474 66 S HA -0.111 4.358 4.470 -0.002 0.000 0.235 66 S C 1.898 176.491 174.600 -0.011 0.000 0.997 66 S CA 0.778 59.095 58.200 0.195 0.000 0.949 66 S CB -0.197 63.112 63.200 0.182 0.000 0.766 66 S HN 0.205 nan 8.310 nan 0.000 0.517 67 L N 1.985 123.207 121.223 -0.001 0.000 2.044 67 L HA 0.048 4.387 4.340 -0.002 0.000 0.205 67 L C 2.705 179.513 176.870 -0.103 0.000 1.075 67 L CA 1.983 56.797 54.840 -0.043 0.000 0.747 67 L CB -1.163 40.886 42.059 -0.017 0.000 0.903 67 L HN 0.398 nan 8.230 nan 0.000 0.435 68 S N -0.416 115.222 115.700 -0.104 0.000 2.365 68 S HA -0.195 4.274 4.470 -0.002 0.000 0.225 68 S C 2.013 176.413 174.600 -0.334 0.000 1.039 68 S CA 1.533 59.631 58.200 -0.170 0.000 1.033 68 S CB -1.035 62.099 63.200 -0.111 0.000 0.887 68 S HN 0.649 nan 8.310 nan 0.000 0.447 69 G N 0.312 108.754 108.800 -0.597 0.000 2.625 69 G HA2 0.014 3.973 3.960 -0.002 0.000 0.214 69 G HA3 0.014 3.973 3.960 -0.002 0.000 0.214 69 G C 1.326 175.960 174.900 -0.442 0.000 1.132 69 G CA 0.702 45.260 45.100 -0.904 0.000 0.782 69 G HN 0.528 nan 8.290 nan 0.000 0.538 70 L N -0.208 120.853 121.223 -0.270 0.000 2.200 70 L HA 0.349 4.688 4.340 -0.002 0.000 0.200 70 L C 2.248 179.048 176.870 -0.117 0.000 1.072 70 L CA 0.466 55.214 54.840 -0.152 0.000 0.787 70 L CB 0.065 42.066 42.059 -0.097 0.000 0.957 70 L HN 0.148 nan 8.230 nan 0.000 0.459 71 I N -0.107 120.395 120.570 -0.113 0.000 3.334 71 I HA -0.140 4.029 4.170 -0.002 0.000 0.282 71 I C 1.765 177.837 176.117 -0.074 0.000 1.313 71 I CA 0.202 61.455 61.300 -0.078 0.000 1.396 71 I CB -0.138 37.823 38.000 -0.066 0.000 1.054 71 I HN 0.302 nan 8.210 nan 0.000 0.495 72 L N 1.728 122.885 121.223 -0.110 0.000 2.200 72 L HA -0.014 4.325 4.340 -0.002 0.000 0.200 72 L C 2.441 179.308 176.870 -0.004 0.000 1.072 72 L CA 1.475 56.274 54.840 -0.069 0.000 0.787 72 L CB -0.497 41.456 42.059 -0.176 0.000 0.957 72 L HN 0.211 nan 8.230 nan 0.000 0.459 73 K N -1.459 118.907 120.400 -0.057 0.000 2.365 73 K HA -0.053 4.266 4.320 -0.002 0.000 0.199 73 K C 1.372 177.933 176.600 -0.066 0.000 1.045 73 K CA 1.213 57.464 56.287 -0.059 0.000 0.962 73 K CB -0.414 32.042 32.500 -0.073 0.000 0.759 73 K HN 0.250 nan 8.250 nan 0.000 0.469 74 N N 1.464 120.130 118.700 -0.057 0.000 2.331 74 N HA -0.071 4.668 4.740 -0.002 0.000 0.180 74 N C 1.012 176.468 175.510 -0.090 0.000 1.019 74 N CA 0.878 53.890 53.050 -0.063 0.000 0.881 74 N CB -0.237 38.222 38.487 -0.048 0.000 0.972 74 N HN 0.353 nan 8.380 nan 0.000 0.435 75 N N 0.596 119.265 118.700 -0.051 0.000 2.188 75 N HA -0.070 4.669 4.740 -0.002 0.000 0.184 75 N C 1.821 177.269 175.510 -0.105 0.000 1.018 75 N CA 0.560 53.554 53.050 -0.094 0.000 0.858 75 N CB -0.486 38.115 38.487 0.190 0.000 0.989 75 N HN 0.056 nan 8.380 nan 0.000 0.426 76 V N 1.525 121.419 119.914 -0.034 0.000 2.427 76 V HA -0.158 3.961 4.120 -0.002 0.000 0.248 76 V C 2.211 178.227 176.094 -0.130 0.000 1.051 76 V CA 1.380 63.598 62.300 -0.137 0.000 1.048 76 V CB -0.405 31.244 31.823 -0.289 0.000 0.666 76 V HN 0.274 nan 8.190 nan 0.000 0.456 77 K N 0.208 120.532 120.400 -0.126 0.000 2.057 77 K HA -0.077 4.242 4.320 -0.002 0.000 0.206 77 K C 2.257 178.818 176.600 -0.065 0.000 1.050 77 K CA 1.549 57.780 56.287 -0.093 0.000 0.935 77 K CB -0.276 32.178 32.500 -0.078 0.000 0.715 77 K HN 0.488 nan 8.250 nan 0.000 0.439 78 A N 1.208 123.956 122.820 -0.120 0.000 1.887 78 A HA -0.042 4.277 4.320 -0.002 0.000 0.212 78 A C 0.687 178.299 177.584 0.047 0.000 1.198 78 A CA 0.667 52.671 52.037 -0.055 0.000 0.628 78 A CB -0.096 18.875 19.000 -0.049 0.000 0.847 78 A HN 0.438 nan 8.150 nan 0.000 0.449 79 H N -3.345 115.814 119.070 0.148 0.000 2.651 79 H HA 0.392 4.947 4.556 -0.002 0.000 0.252 79 H C -0.317 175.204 175.328 0.322 0.000 1.365 79 H CA -0.620 55.540 56.048 0.187 0.000 1.539 79 H CB -0.085 29.765 29.762 0.147 0.000 1.621 79 H HN 0.216 nan 8.280 nan 0.000 0.526 80 F N 2.854 122.846 119.950 0.071 0.000 2.530 80 F HA 0.118 4.644 4.527 -0.002 0.000 0.292 80 F C 1.866 177.701 175.800 0.057 0.000 1.109 80 F CA 0.664 58.575 58.000 -0.148 0.000 1.450 80 F CB 0.474 39.283 39.000 -0.320 0.000 1.114 80 F HN 0.322 nan 8.300 nan 0.000 0.560 81 Q N -0.036 119.758 119.800 -0.009 0.000 2.436 81 Q HA -0.060 4.279 4.340 -0.002 0.000 0.209 81 Q C 0.698 176.696 176.000 -0.003 0.000 0.965 81 Q CA 0.504 56.252 55.803 -0.092 0.000 0.910 81 Q CB -0.217 28.525 28.738 0.007 0.000 0.980 81 Q HN 0.356 nan 8.270 nan 0.000 0.491 82 N N 0.021 118.804 118.700 0.138 0.000 2.362 82 N HA 0.035 4.774 4.740 -0.002 0.000 0.204 82 N C -0.895 174.692 175.510 0.128 0.000 1.166 82 N CA 0.312 53.434 53.050 0.120 0.000 0.831 82 N CB 0.182 38.737 38.487 0.112 0.000 1.008 82 N HN 0.052 nan 8.380 nan 0.000 0.472 83 F N 1.704 121.557 119.950 -0.161 0.000 2.411 83 F HA 0.336 4.862 4.527 -0.002 0.000 0.350 83 F C -1.589 174.126 175.800 -0.141 0.000 1.114 83 F CA -2.651 55.258 58.000 -0.152 0.000 1.135 83 F CB 0.616 39.446 39.000 -0.283 0.000 1.120 83 F HN -0.140 nan 8.300 nan 0.000 0.495 84 P HA 0.143 nan 4.420 nan 0.000 0.267 84 P C 0.715 178.037 177.300 0.037 0.000 1.209 84 P CA 0.269 63.374 63.100 0.007 0.000 0.763 84 P CB 0.222 31.913 31.700 -0.014 0.000 0.816 85 N N 2.440 121.145 118.700 0.008 0.000 2.417 85 N HA -0.146 4.593 4.740 -0.002 0.000 0.187 85 N C 1.889 177.416 175.510 0.028 0.000 1.027 85 N CA 1.602 54.656 53.050 0.007 0.000 0.891 85 N CB -0.991 37.491 38.487 -0.008 0.000 0.956 85 N HN 0.583 nan 8.380 nan 0.000 0.442 86 G N -0.421 108.398 108.800 0.032 0.000 2.396 86 G HA2 0.010 3.969 3.960 -0.002 0.000 0.214 86 G HA3 0.010 3.969 3.960 -0.002 0.000 0.214 86 G C 1.669 176.635 174.900 0.109 0.000 1.166 86 G CA 1.268 46.396 45.100 0.047 0.000 0.793 86 G HN 0.476 nan 8.290 nan 0.000 0.533 87 V N 1.243 121.231 119.914 0.122 0.000 2.453 87 V HA -0.115 4.004 4.120 -0.002 0.000 0.247 87 V C 2.961 179.202 176.094 0.245 0.000 1.048 87 V CA 2.101 64.524 62.300 0.205 0.000 1.049 87 V CB -0.926 31.000 31.823 0.172 0.000 0.672 87 V HN 0.339 nan 8.190 nan 0.000 0.457 88 T N -0.684 113.996 114.554 0.210 0.000 3.051 88 T HA -0.115 4.234 4.350 -0.002 0.000 0.269 88 T C 1.397 176.099 174.700 0.004 0.000 1.127 88 T CA 1.128 63.324 62.100 0.159 0.000 1.107 88 T CB -0.229 68.708 68.868 0.116 0.000 0.898 88 T HN 0.457 nan 8.240 nan 0.000 0.517 89 D N -0.248 120.170 120.400 0.030 0.000 2.338 89 D HA 0.154 4.793 4.640 -0.002 0.000 0.208 89 D C 1.497 177.794 176.300 -0.006 0.000 0.997 89 D CA 0.084 54.062 54.000 -0.037 0.000 0.880 89 D CB -0.014 40.777 40.800 -0.015 0.000 0.980 89 D HN 0.270 nan 8.370 nan 0.000 0.509 90 F N 2.073 121.985 119.950 -0.063 0.000 2.051 90 F HA -0.098 4.428 4.527 -0.002 0.000 0.296 90 F C 2.242 177.892 175.800 -0.249 0.000 1.122 90 F CA 0.862 58.814 58.000 -0.081 0.000 1.201 90 F CB -0.584 38.437 39.000 0.034 0.000 0.978 90 F HN -0.171 nan 8.300 nan 0.000 0.472 91 I N 0.473 121.058 120.570 0.024 0.000 2.103 91 I HA -0.504 3.665 4.170 -0.002 0.000 0.241 91 I C 2.355 178.345 176.117 -0.212 0.000 1.036 91 I CA 2.197 63.303 61.300 -0.322 0.000 1.300 91 I CB -0.339 37.603 38.000 -0.098 0.000 1.010 91 I HN 0.215 nan 8.210 nan 0.000 0.406 92 K N 0.309 120.555 120.400 -0.256 0.000 2.026 92 K HA -0.182 4.137 4.320 -0.002 0.000 0.208 92 K C 2.182 178.773 176.600 -0.016 0.000 1.048 92 K CA 1.990 58.094 56.287 -0.306 0.000 0.929 92 K CB -0.329 31.706 32.500 -0.776 0.000 0.713 92 K HN 0.565 nan 8.250 nan 0.000 0.439 93 S N 1.308 116.962 115.700 -0.076 0.000 2.368 93 S HA -0.161 4.308 4.470 -0.002 0.000 0.225 93 S C 1.916 176.479 174.600 -0.061 0.000 1.030 93 S CA 0.995 59.159 58.200 -0.060 0.000 0.999 93 S CB -0.216 62.892 63.200 -0.153 0.000 0.844 93 S HN 0.178 nan 8.310 nan 0.000 0.459 94 E N 0.747 120.886 120.200 -0.101 0.000 2.072 94 E HA -0.039 4.310 4.350 -0.002 0.000 0.191 94 E C 2.427 179.056 176.600 0.049 0.000 0.985 94 E CA 0.932 57.311 56.400 -0.035 0.000 0.801 94 E CB -0.742 28.970 29.700 0.019 0.000 0.750 94 E HN 0.589 nan 8.360 nan 0.000 0.452 95 C N 0.726 120.078 119.300 0.087 0.000 2.393 95 C HA -0.142 4.317 4.460 -0.002 0.000 0.276 95 C C 2.823 177.894 174.990 0.134 0.000 1.215 95 C CA 0.683 59.800 59.018 0.165 0.000 1.743 95 C CB -1.163 26.715 27.740 0.231 0.000 2.044 95 C HN 0.370 nan 8.230 nan 0.000 0.464 96 L N 0.754 122.063 121.223 0.143 0.000 2.217 96 L HA -0.080 4.259 4.340 -0.002 0.000 0.211 96 L C 2.233 179.130 176.870 0.044 0.000 1.107 96 L CA 1.025 55.927 54.840 0.102 0.000 0.783 96 L CB -0.713 41.428 42.059 0.137 0.000 0.919 96 L HN 0.448 nan 8.230 nan 0.000 0.442 97 N N 0.297 119.015 118.700 0.030 0.000 2.331 97 N HA -0.072 4.667 4.740 -0.002 0.000 0.180 97 N C 0.618 176.128 175.510 0.000 0.000 1.019 97 N CA 0.881 53.934 53.050 0.004 0.000 0.881 97 N CB 0.043 38.521 38.487 -0.015 0.000 0.972 97 N HN 0.434 nan 8.380 nan 0.000 0.435 98 N N 0.481 119.185 118.700 0.007 0.000 2.541 98 N HA 0.194 4.933 4.740 -0.002 0.000 0.297 98 N C 0.640 176.147 175.510 -0.005 0.000 1.503 98 N CA -0.038 53.005 53.050 -0.013 0.000 0.919 98 N CB 1.043 39.505 38.487 -0.042 0.000 1.305 98 N HN 0.151 nan 8.380 nan 0.000 0.501 99 I N -0.077 120.496 120.570 0.005 0.000 2.761 99 I HA -0.021 4.148 4.170 -0.002 0.000 0.261 99 I C 1.497 177.605 176.117 -0.016 0.000 1.198 99 I CA 0.832 62.133 61.300 0.002 0.000 1.482 99 I CB 0.318 38.314 38.000 -0.007 0.000 1.100 99 I HN 0.156 nan 8.210 nan 0.000 0.445 100 G N 0.661 109.451 108.800 -0.017 0.000 3.949 100 G HA2 -0.006 3.953 3.960 -0.002 0.000 0.295 100 G HA3 -0.006 3.953 3.960 -0.002 0.000 0.295 100 G C 0.027 174.928 174.900 0.003 0.000 1.286 100 G CA -0.326 44.766 45.100 -0.014 0.000 1.171 100 G HN 0.135 nan 8.290 nan 0.000 0.586 101 D N 0.106 120.503 120.400 -0.005 0.000 2.378 101 D HA 0.032 4.671 4.640 -0.002 0.000 0.238 101 D C 1.360 177.673 176.300 0.021 0.000 1.180 101 D CA 0.032 54.028 54.000 -0.007 0.000 0.895 101 D CB 1.252 42.031 40.800 -0.037 0.000 1.192 101 D HN 0.091 nan 8.370 nan 0.000 0.438 102 S N 0.658 116.371 115.700 0.022 0.000 2.402 102 S HA -0.112 4.357 4.470 -0.002 0.000 0.229 102 S C 1.079 175.707 174.600 0.047 0.000 1.021 102 S CA 0.424 58.649 58.200 0.042 0.000 0.974 102 S CB -0.008 63.211 63.200 0.031 0.000 0.800 102 S HN 0.496 nan 8.310 nan 0.000 0.484 103 S N 1.989 117.708 115.700 0.032 0.000 2.439 103 S HA 0.280 4.749 4.470 -0.002 0.000 0.282 103 S C -2.002 172.628 174.600 0.051 0.000 1.170 103 S CA -1.821 56.403 58.200 0.039 0.000 1.054 103 S CB 1.042 64.259 63.200 0.028 0.000 0.956 103 S HN -0.064 nan 8.310 nan 0.000 0.490 104 P HA -0.094 nan 4.420 nan 0.000 0.218 104 P C 1.492 178.833 177.300 0.070 0.000 1.148 104 P CA 0.470 63.614 63.100 0.073 0.000 0.822 104 P CB 0.081 31.828 31.700 0.079 0.000 0.784 105 L N -0.958 120.304 121.223 0.066 0.000 2.046 105 L HA -0.125 4.214 4.340 -0.002 0.000 0.208 105 L C 2.203 179.134 176.870 0.103 0.000 1.077 105 L CA 1.731 56.616 54.840 0.076 0.000 0.747 105 L CB -1.009 41.091 42.059 0.068 0.000 0.896 105 L HN -0.147 nan 8.230 nan 0.000 0.432 106 I N -0.043 120.581 120.570 0.089 0.000 2.142 106 I HA -0.309 3.860 4.170 -0.002 0.000 0.240 106 I C 2.691 178.877 176.117 0.116 0.000 1.078 106 I CA 1.791 63.149 61.300 0.096 0.000 1.343 106 I CB -0.451 37.536 38.000 -0.022 0.000 1.046 106 I HN 0.352 nan 8.210 nan 0.000 0.405 107 R N 1.648 122.189 120.500 0.068 0.000 2.189 107 R HA -0.042 4.297 4.340 -0.002 0.000 0.223 107 R C 2.142 178.497 176.300 0.093 0.000 1.092 107 R CA 1.212 57.352 56.100 0.068 0.000 0.989 107 R CB -0.653 29.666 30.300 0.031 0.000 0.876 107 R HN 0.295 nan 8.270 nan 0.000 0.457 108 A N 1.488 124.367 122.820 0.098 0.000 1.930 108 A HA -0.086 4.233 4.320 -0.002 0.000 0.217 108 A C 2.119 179.770 177.584 0.112 0.000 1.175 108 A CA 1.736 53.827 52.037 0.090 0.000 0.627 108 A CB -0.740 18.307 19.000 0.079 0.000 0.815 108 A HN 0.436 nan 8.150 nan 0.000 0.443 109 T N -0.482 114.174 114.554 0.170 0.000 2.857 109 T HA -0.072 4.277 4.350 -0.002 0.000 0.266 109 T C 1.845 176.696 174.700 0.252 0.000 1.048 109 T CA 1.349 63.563 62.100 0.191 0.000 1.139 109 T CB -0.417 68.615 68.868 0.272 0.000 0.874 109 T HN 0.130 nan 8.240 nan 0.000 0.455 110 V N 1.798 121.931 119.914 0.364 0.000 2.261 110 V HA -0.096 4.023 4.120 -0.002 0.000 0.246 110 V C 2.962 179.171 176.094 0.191 0.000 1.047 110 V CA 2.061 64.563 62.300 0.336 0.000 1.015 110 V CB -1.444 30.522 31.823 0.238 0.000 0.642 110 V HN 0.595 nan 8.190 nan 0.000 0.446 111 G N -0.167 108.707 108.800 0.124 0.000 2.442 111 G HA2 -0.241 3.718 3.960 -0.002 0.000 0.219 111 G HA3 -0.241 3.718 3.960 -0.002 0.000 0.219 111 G C 1.547 176.482 174.900 0.059 0.000 1.141 111 G CA 1.201 46.342 45.100 0.068 0.000 0.763 111 G HN 0.522 nan 8.290 nan 0.000 0.554 112 I N -0.287 120.320 120.570 0.062 0.000 2.353 112 I HA -0.030 4.139 4.170 -0.002 0.000 0.248 112 I C 2.507 178.644 176.117 0.033 0.000 1.119 112 I CA 0.127 61.447 61.300 0.033 0.000 1.417 112 I CB -0.178 37.833 38.000 0.019 0.000 1.078 112 I HN 0.119 nan 8.210 nan 0.000 0.421 113 L N 1.290 122.551 121.223 0.063 0.000 1.989 113 L HA -0.209 4.130 4.340 -0.002 0.000 0.211 113 L C 2.389 179.320 176.870 0.101 0.000 1.071 113 L CA 1.940 56.822 54.840 0.070 0.000 0.749 113 L CB -0.526 41.611 42.059 0.130 0.000 0.890 113 L HN 0.104 nan 8.230 nan 0.000 0.431 114 I N -0.992 119.677 120.570 0.166 0.000 2.113 114 I HA -0.423 3.746 4.170 -0.002 0.000 0.242 114 I C 2.245 178.455 176.117 0.155 0.000 1.064 114 I CA 2.104 63.553 61.300 0.249 0.000 1.320 114 I CB -0.896 37.213 38.000 0.181 0.000 1.028 114 I HN 0.313 nan 8.210 nan 0.000 0.406 115 T N -0.106 114.481 114.554 0.056 0.000 2.720 115 T HA -0.190 4.159 4.350 -0.002 0.000 0.268 115 T C 1.837 176.527 174.700 -0.017 0.000 1.037 115 T CA 2.091 64.195 62.100 0.006 0.000 1.144 115 T CB -0.540 68.323 68.868 -0.009 0.000 0.864 115 T HN 0.444 nan 8.240 nan 0.000 0.444 116 T N 1.839 116.371 114.554 -0.035 0.000 2.777 116 T HA 0.035 4.384 4.350 -0.002 0.000 0.266 116 T C 1.985 176.562 174.700 -0.205 0.000 1.040 116 T CA 0.797 62.831 62.100 -0.109 0.000 1.141 116 T CB -0.406 68.392 68.868 -0.117 0.000 0.868 116 T HN 0.241 nan 8.240 nan 0.000 0.444 117 I N 1.819 122.284 120.570 -0.176 0.000 2.226 117 I HA -0.146 4.023 4.170 -0.002 0.000 0.245 117 I C 2.808 178.858 176.117 -0.112 0.000 1.100 117 I CA 1.187 62.307 61.300 -0.301 0.000 1.374 117 I CB -0.524 37.386 38.000 -0.150 0.000 1.057 117 I HN 0.191 nan 8.210 nan 0.000 0.413 118 A N -0.787 122.086 122.820 0.089 0.000 1.972 118 A HA -0.199 4.120 4.320 -0.002 0.000 0.219 118 A C 2.483 180.064 177.584 -0.005 0.000 1.169 118 A CA 2.210 54.301 52.037 0.090 0.000 0.635 118 A CB -0.752 18.267 19.000 0.033 0.000 0.810 118 A HN 0.386 nan 8.150 nan 0.000 0.446 119 S N -0.868 114.795 115.700 -0.061 0.000 2.335 119 S HA -0.077 4.392 4.470 -0.002 0.000 0.217 119 S C 2.115 176.669 174.600 -0.078 0.000 1.032 119 S CA 1.677 59.837 58.200 -0.066 0.000 0.985 119 S CB -0.197 62.957 63.200 -0.076 0.000 0.896 119 S HN 0.543 nan 8.310 nan 0.000 0.445 120 K N 1.490 121.790 120.400 -0.167 0.000 1.973 120 K HA 0.064 4.383 4.320 -0.002 0.000 0.210 120 K C 0.992 177.579 176.600 -0.021 0.000 1.045 120 K CA 1.106 57.304 56.287 -0.148 0.000 0.937 120 K CB -0.998 31.299 32.500 -0.338 0.000 0.721 120 K HN 0.269 nan 8.250 nan 0.000 0.438 121 G N 2.632 111.393 108.800 -0.066 0.000 2.508 121 G HA2 0.051 4.010 3.960 -0.002 0.000 0.301 121 G HA3 0.051 4.010 3.960 -0.002 0.000 0.301 121 G C -0.662 174.307 174.900 0.115 0.000 0.965 121 G CA -0.387 44.839 45.100 0.209 0.000 1.339 121 G HN 0.164 nan 8.290 nan 0.000 0.455 122 E N 1.177 121.435 120.200 0.098 0.000 2.604 122 E HA -0.097 4.252 4.350 -0.002 0.000 0.267 122 E C 2.117 178.773 176.600 0.094 0.000 0.970 122 E CA 0.379 56.821 56.400 0.071 0.000 0.956 122 E CB 0.393 30.128 29.700 0.058 0.000 0.939 122 E HN 0.482 nan 8.360 nan 0.000 0.465 123 L N 4.239 125.505 121.223 0.071 0.000 2.283 123 L HA -0.304 4.035 4.340 -0.002 0.000 0.217 123 L C 2.274 179.202 176.870 0.096 0.000 1.104 123 L CA 2.287 57.172 54.840 0.076 0.000 0.772 123 L CB -1.167 40.905 42.059 0.022 0.000 0.899 123 L HN 0.427 nan 8.230 nan 0.000 0.439 124 Q N 0.000 119.851 119.800 0.085 0.000 2.077 124 Q HA -0.200 4.139 4.340 -0.002 0.000 0.206 124 Q C 1.551 177.618 176.000 0.112 0.000 0.989 124 Q CA 1.696 57.548 55.803 0.081 0.000 0.853 124 Q CB -0.432 28.345 28.738 0.066 0.000 0.907 124 Q HN 0.886 nan 8.270 nan 0.000 0.418 125 N N -1.066 117.719 118.700 0.141 0.000 2.362 125 N HA -0.023 4.716 4.740 -0.002 0.000 0.211 125 N C -0.708 174.952 175.510 0.250 0.000 1.170 125 N CA 0.096 53.240 53.050 0.156 0.000 0.828 125 N CB 0.213 38.776 38.487 0.127 0.000 1.034 125 N HN 0.252 nan 8.380 nan 0.000 0.475 126 W N 1.630 122.951 121.300 0.034 0.000 1.267 126 W HA 0.365 5.024 4.660 -0.002 0.000 0.314 126 W C -2.406 174.120 176.519 0.011 0.000 0.896 126 W CA -1.842 55.518 57.345 0.025 0.000 1.521 126 W CB 0.596 30.069 29.460 0.022 0.000 1.654 126 W HN -0.078 nan 8.180 nan 0.000 0.454 127 P HA -0.043 nan 4.420 nan 0.000 0.240 127 P C 1.078 178.379 177.300 0.003 0.000 1.190 127 P CA 1.123 64.258 63.100 0.058 0.000 0.781 127 P CB 0.487 32.226 31.700 0.065 0.000 0.931 128 D N -0.436 120.004 120.400 0.066 0.000 2.312 128 D HA -0.083 4.556 4.640 -0.002 0.000 0.211 128 D C 1.879 178.074 176.300 -0.174 0.000 0.964 128 D CA 0.320 54.331 54.000 0.018 0.000 0.877 128 D CB -0.542 40.357 40.800 0.165 0.000 0.924 128 D HN -0.012 nan 8.370 nan 0.000 0.515 129 L N 0.002 120.929 121.223 -0.494 0.000 1.943 129 L HA -0.196 4.143 4.340 -0.002 0.000 0.215 129 L C 2.334 178.944 176.870 -0.432 0.000 1.074 129 L CA 1.257 55.605 54.840 -0.821 0.000 0.759 129 L CB -0.478 40.798 42.059 -1.306 0.000 0.888 129 L HN 0.170 nan 8.230 nan 0.000 0.433 130 L N -0.258 120.779 121.223 -0.310 0.000 1.990 130 L HA -0.216 4.123 4.340 -0.002 0.000 0.213 130 L C -0.132 176.642 176.870 -0.160 0.000 1.072 130 L CA 1.605 56.327 54.840 -0.197 0.000 0.755 130 L CB -2.170 39.810 42.059 -0.131 0.000 0.889 130 L HN 0.300 nan 8.230 nan 0.000 0.432 131 P HA -0.157 nan 4.420 nan 0.000 0.218 131 P C 1.348 178.580 177.300 -0.114 0.000 1.149 131 P CA 1.101 64.133 63.100 -0.113 0.000 0.817 131 P CB 0.084 31.733 31.700 -0.084 0.000 0.785 132 K N 0.192 120.518 120.400 -0.124 0.000 2.025 132 K HA -0.054 4.265 4.320 -0.002 0.000 0.207 132 K C 1.959 178.487 176.600 -0.120 0.000 1.049 132 K CA 1.268 57.492 56.287 -0.104 0.000 0.933 132 K CB -1.162 31.285 32.500 -0.088 0.000 0.714 132 K HN 0.021 nan 8.250 nan 0.000 0.438 133 L N 0.001 121.130 121.223 -0.156 0.000 2.046 133 L HA -0.230 4.109 4.340 -0.002 0.000 0.208 133 L C 2.406 179.173 176.870 -0.172 0.000 1.077 133 L CA 1.171 55.916 54.840 -0.160 0.000 0.747 133 L CB -0.445 41.511 42.059 -0.172 0.000 0.896 133 L HN 0.302 nan 8.230 nan 0.000 0.432 134 C N -1.005 118.196 119.300 -0.165 0.000 2.432 134 C HA -0.093 4.366 4.460 -0.002 0.000 0.280 134 C C 3.008 177.898 174.990 -0.166 0.000 1.353 134 C CA 0.894 59.800 59.018 -0.187 0.000 1.766 134 C CB -0.743 26.888 27.740 -0.181 0.000 1.924 134 C HN 0.507 nan 8.230 nan 0.000 0.509 135 S N 1.282 116.905 115.700 -0.128 0.000 2.377 135 S HA 0.005 4.474 4.470 -0.002 0.000 0.223 135 S C 1.632 176.179 174.600 -0.089 0.000 1.030 135 S CA 0.973 59.117 58.200 -0.094 0.000 0.970 135 S CB -0.337 62.819 63.200 -0.072 0.000 0.830 135 S HN 0.567 nan 8.310 nan 0.000 0.473 136 L N 1.507 122.668 121.223 -0.103 0.000 2.353 136 L HA -0.014 4.325 4.340 -0.002 0.000 0.220 136 L C 2.024 178.817 176.870 -0.128 0.000 1.133 136 L CA 0.529 55.311 54.840 -0.097 0.000 0.798 136 L CB -0.560 41.440 42.059 -0.098 0.000 0.922 136 L HN 0.294 nan 8.230 nan 0.000 0.445 137 L N -0.488 120.617 121.223 -0.196 0.000 2.083 137 L HA -0.225 4.114 4.340 -0.002 0.000 0.209 137 L C 1.647 178.487 176.870 -0.050 0.000 1.083 137 L CA 1.259 55.921 54.840 -0.296 0.000 0.752 137 L CB -0.430 41.318 42.059 -0.518 0.000 0.899 137 L HN 0.361 nan 8.230 nan 0.000 0.433 138 D N -0.571 119.838 120.400 0.016 0.000 2.340 138 D HA -0.032 4.607 4.640 -0.002 0.000 0.220 138 D C 0.998 177.346 176.300 0.079 0.000 1.039 138 D CA 0.166 54.229 54.000 0.106 0.000 0.866 138 D CB 0.264 41.100 40.800 0.061 0.000 0.913 138 D HN 0.069 nan 8.370 nan 0.000 0.523 139 S N 1.208 116.933 115.700 0.041 0.000 2.575 139 S HA -0.116 4.353 4.470 -0.002 0.000 0.295 139 S C 1.350 175.998 174.600 0.079 0.000 1.267 139 S CA -0.267 57.956 58.200 0.039 0.000 1.074 139 S CB 1.267 64.473 63.200 0.009 0.000 0.829 139 S HN -0.011 nan 8.310 nan 0.000 0.497 140 E N 3.535 123.778 120.200 0.072 0.000 2.273 140 E HA -0.150 4.199 4.350 -0.002 0.000 0.198 140 E C 0.022 176.691 176.600 0.115 0.000 1.002 140 E CA 1.274 57.727 56.400 0.089 0.000 0.828 140 E CB -0.036 29.701 29.700 0.062 0.000 0.747 140 E HN 0.759 nan 8.360 nan 0.000 0.491 141 D N -0.808 119.651 120.400 0.099 0.000 2.365 141 D HA 0.019 4.658 4.640 -0.002 0.000 0.237 141 D C 0.337 176.726 176.300 0.148 0.000 1.190 141 D CA -0.199 53.872 54.000 0.117 0.000 0.867 141 D CB 0.105 40.949 40.800 0.074 0.000 1.050 141 D HN 0.109 nan 8.370 nan 0.000 0.491 142 Y N 4.627 124.990 120.300 0.105 0.000 2.030 142 Y HA -0.398 4.151 4.550 -0.002 0.000 0.272 142 Y C 1.639 177.598 175.900 0.098 0.000 1.185 142 Y CA 2.000 60.182 58.100 0.136 0.000 1.120 142 Y CB -0.276 38.279 38.460 0.158 0.000 0.955 142 Y HN 0.422 nan 8.280 nan 0.000 0.495 143 N N -0.395 118.347 118.700 0.071 0.000 2.132 143 N HA -0.178 4.561 4.740 -0.002 0.000 0.191 143 N C 1.693 177.130 175.510 -0.123 0.000 1.015 143 N CA 2.145 55.167 53.050 -0.046 0.000 0.864 143 N CB -0.729 37.815 38.487 0.094 0.000 1.006 143 N HN 0.575 nan 8.380 nan 0.000 0.430 144 T N -0.296 114.216 114.554 -0.069 0.000 2.770 144 T HA -0.120 4.229 4.350 -0.002 0.000 0.263 144 T C 2.229 176.855 174.700 -0.122 0.000 1.039 144 T CA 1.068 63.127 62.100 -0.070 0.000 1.142 144 T CB -0.929 67.922 68.868 -0.029 0.000 0.868 144 T HN 0.438 nan 8.240 nan 0.000 0.435 145 C N 2.035 121.255 119.300 -0.133 0.000 2.388 145 C HA -0.156 4.303 4.460 -0.002 0.000 0.277 145 C C 2.707 177.564 174.990 -0.221 0.000 1.210 145 C CA 1.570 60.489 59.018 -0.165 0.000 1.743 145 C CB -1.132 26.562 27.740 -0.077 0.000 2.047 145 C HN 0.621 nan 8.230 nan 0.000 0.458 146 E N 0.028 120.030 120.200 -0.331 0.000 2.058 146 E HA -0.123 4.226 4.350 -0.002 0.000 0.194 146 E C 2.321 178.795 176.600 -0.211 0.000 0.997 146 E CA 1.632 57.863 56.400 -0.283 0.000 0.801 146 E CB -0.697 28.716 29.700 -0.478 0.000 0.746 146 E HN 0.765 nan 8.360 nan 0.000 0.450 147 G N 0.942 109.637 108.800 -0.176 0.000 2.476 147 G HA2 -0.316 3.643 3.960 -0.002 0.000 0.218 147 G HA3 -0.316 3.643 3.960 -0.002 0.000 0.218 147 G C 1.680 176.498 174.900 -0.136 0.000 1.164 147 G CA 1.535 46.563 45.100 -0.120 0.000 0.768 147 G HN 0.440 nan 8.290 nan 0.000 0.560 148 A N 0.018 122.751 122.820 -0.146 0.000 1.898 148 A HA 0.128 4.447 4.320 -0.002 0.000 0.216 148 A C 2.263 179.747 177.584 -0.167 0.000 1.181 148 A CA 1.298 53.241 52.037 -0.157 0.000 0.620 148 A CB -0.587 18.303 19.000 -0.183 0.000 0.819 148 A HN 0.386 nan 8.150 nan 0.000 0.442 149 F N 0.456 120.189 119.950 -0.362 0.000 2.161 149 F HA -0.152 4.374 4.527 -0.002 0.000 0.300 149 F C 2.501 177.906 175.800 -0.658 0.000 1.089 149 F CA 0.579 58.299 58.000 -0.466 0.000 1.282 149 F CB -0.137 38.563 39.000 -0.499 0.000 1.010 149 F HN 0.363 nan 8.300 nan 0.000 0.485 150 G N -0.319 108.123 108.800 -0.596 0.000 2.453 150 G HA2 -0.306 3.653 3.960 -0.002 0.000 0.215 150 G HA3 -0.306 3.653 3.960 -0.002 0.000 0.215 150 G C 1.774 176.556 174.900 -0.197 0.000 1.201 150 G CA 0.838 45.592 45.100 -0.576 0.000 0.784 150 G HN 0.469 nan 8.290 nan 0.000 0.545 151 A N 0.186 122.927 122.820 -0.132 0.000 1.917 151 A HA -0.040 4.279 4.320 -0.002 0.000 0.219 151 A C 2.397 179.938 177.584 -0.072 0.000 1.182 151 A CA 1.809 53.798 52.037 -0.079 0.000 0.633 151 A CB -0.522 18.433 19.000 -0.076 0.000 0.819 151 A HN 0.350 nan 8.150 nan 0.000 0.448 152 L N -0.265 120.917 121.223 -0.069 0.000 2.046 152 L HA -0.205 4.134 4.340 -0.002 0.000 0.208 152 L C 2.624 179.489 176.870 -0.008 0.000 1.077 152 L CA 2.411 57.242 54.840 -0.015 0.000 0.747 152 L CB -0.839 41.241 42.059 0.034 0.000 0.896 152 L HN 0.646 nan 8.230 nan 0.000 0.432 153 Q N -0.562 119.219 119.800 -0.032 0.000 2.020 153 Q HA -0.254 4.085 4.340 -0.002 0.000 0.202 153 Q C 2.144 178.128 176.000 -0.028 0.000 0.982 153 Q CA 1.837 57.621 55.803 -0.031 0.000 0.838 153 Q CB 0.009 28.764 28.738 0.027 0.000 0.899 153 Q HN 0.472 nan 8.270 nan 0.000 0.423 154 K N 0.085 120.471 120.400 -0.023 0.000 2.103 154 K HA -0.148 4.171 4.320 -0.002 0.000 0.207 154 K C 2.077 178.656 176.600 -0.036 0.000 1.048 154 K CA 1.500 57.772 56.287 -0.025 0.000 0.930 154 K CB -0.153 32.336 32.500 -0.019 0.000 0.716 154 K HN 0.284 nan 8.250 nan 0.000 0.444 155 I N 0.596 121.144 120.570 -0.037 0.000 2.163 155 I HA -0.331 3.838 4.170 -0.002 0.000 0.240 155 I C 2.489 178.580 176.117 -0.043 0.000 1.081 155 I CA 0.898 62.175 61.300 -0.040 0.000 1.353 155 I CB -0.382 37.593 38.000 -0.042 0.000 1.054 155 I HN 0.238 nan 8.210 nan 0.000 0.407 156 C N 0.768 120.050 119.300 -0.030 0.000 2.401 156 C HA -0.203 4.256 4.460 -0.002 0.000 0.276 156 C C 2.748 177.660 174.990 -0.131 0.000 1.233 156 C CA 1.296 60.273 59.018 -0.067 0.000 1.753 156 C CB -1.034 26.693 27.740 -0.021 0.000 2.029 156 C HN 0.487 nan 8.230 nan 0.000 0.478 157 E N 0.141 120.285 120.200 -0.092 0.000 2.017 157 E HA -0.112 4.237 4.350 -0.002 0.000 0.193 157 E C 0.570 177.118 176.600 -0.086 0.000 0.997 157 E CA 0.924 57.269 56.400 -0.091 0.000 0.804 157 E CB -0.049 29.613 29.700 -0.063 0.000 0.757 157 E HN 0.616 nan 8.360 nan 0.000 0.448 165 S N -1.514 114.183 115.700 -0.004 0.000 3.976 165 S HA 0.434 4.903 4.470 -0.002 0.000 0.652 165 S C 0.719 175.308 174.600 -0.018 0.000 1.522 165 S CA 1.453 59.649 58.200 -0.007 0.000 1.667 165 S CB -1.764 61.435 63.200 -0.002 0.000 0.332 165 S HN 2.354 nan 8.310 nan 0.000 1.594 166 D N 0.581 120.969 120.400 -0.019 0.000 2.252 166 D HA 0.863 5.502 4.640 -0.002 0.000 0.289 166 D C 1.661 177.933 176.300 -0.047 0.000 1.161 166 D CA 0.987 54.970 54.000 -0.029 0.000 1.060 166 D CB -0.812 39.975 40.800 -0.022 0.000 1.143 166 D HN 2.383 nan 8.370 nan 0.000 0.519 167 V N -0.056 119.827 119.914 -0.052 0.000 2.442 167 V HA 0.488 4.607 4.120 -0.002 0.000 0.272 167 V C 1.413 177.451 176.094 -0.094 0.000 0.989 167 V CA 0.623 62.876 62.300 -0.077 0.000 1.123 167 V CB -1.701 30.085 31.823 -0.062 0.000 1.008 167 V HN 1.331 nan 8.190 nan 0.000 0.469 168 L N 3.281 124.412 121.223 -0.153 0.000 2.747 168 L HA 0.437 4.776 4.340 -0.002 0.000 0.286 168 L C 0.872 177.676 176.870 -0.110 0.000 1.216 168 L CA 1.580 56.316 54.840 -0.174 0.000 0.930 168 L CB -1.419 40.439 42.059 -0.336 0.000 1.216 168 L HN 1.581 nan 8.230 nan 0.000 0.486 169 D N 0.262 120.705 120.400 0.072 0.000 2.440 169 D HA 0.439 5.078 4.640 -0.002 0.000 0.481 169 D C 1.710 178.096 176.300 0.143 0.000 1.095 169 D CA 1.397 55.513 54.000 0.194 0.000 1.044 169 D CB -0.349 40.518 40.800 0.112 0.000 1.513 169 D HN 1.258 nan 8.370 nan 0.000 0.416 170 R N 1.139 121.698 120.500 0.097 0.000 2.052 170 R HA 0.386 4.725 4.340 -0.002 0.000 0.224 170 R C 0.853 177.181 176.300 0.047 0.000 1.149 170 R CA 2.379 58.512 56.100 0.056 0.000 0.962 170 R CB -2.112 28.206 30.300 0.031 0.000 0.856 170 R HN 0.528 nan 8.270 nan 0.000 0.433 171 P HA 0.202 nan 4.420 nan 0.000 0.212 171 P C 1.144 178.454 177.300 0.017 0.000 1.131 171 P CA 0.293 63.408 63.100 0.025 0.000 0.901 171 P CB 0.169 31.878 31.700 0.015 0.000 0.788 172 L N 1.320 122.596 121.223 0.088 0.000 2.610 172 L HA 0.008 4.347 4.340 -0.002 0.000 0.232 172 L C 2.012 178.794 176.870 -0.147 0.000 1.149 172 L CA 0.377 55.247 54.840 0.051 0.000 0.872 172 L CB -0.785 41.432 42.059 0.265 0.000 0.992 172 L HN 0.128 nan 8.230 nan 0.000 0.447 173 N N 1.274 119.908 118.700 -0.110 0.000 2.443 173 N HA -0.207 4.532 4.740 -0.002 0.000 0.184 173 N C 1.462 176.738 175.510 -0.390 0.000 1.037 173 N CA 1.316 54.163 53.050 -0.339 0.000 0.896 173 N CB -0.325 38.111 38.487 -0.084 0.000 0.959 173 N HN 0.449 nan 8.380 nan 0.000 0.442 174 I N -0.352 120.039 120.570 -0.298 0.000 2.761 174 I HA -0.013 4.156 4.170 -0.002 0.000 0.261 174 I C 1.880 177.750 176.117 -0.412 0.000 1.198 174 I CA 0.468 61.595 61.300 -0.289 0.000 1.482 174 I CB -0.258 37.620 38.000 -0.202 0.000 1.100 174 I HN -0.074 nan 8.210 nan 0.000 0.445 175 M N 0.451 119.713 119.600 -0.563 0.000 2.630 175 M HA 0.009 4.488 4.480 -0.002 0.000 0.254 175 M C 2.220 177.858 176.300 -1.102 0.000 1.092 175 M CA 1.203 55.966 55.300 -0.895 0.000 1.087 175 M CB -0.811 31.078 32.600 -1.185 0.000 1.453 175 M HN 0.288 nan 8.290 nan 0.000 0.509 176 I N 0.846 120.957 120.570 -0.765 0.000 2.127 176 I HA -0.251 3.918 4.170 -0.002 0.000 0.241 176 I C -0.513 175.349 176.117 -0.425 0.000 1.075 176 I CA 1.764 62.749 61.300 -0.526 0.000 1.334 176 I CB -1.763 35.934 38.000 -0.504 0.000 1.040 176 I HN 0.165 nan 8.210 nan 0.000 0.405 177 P HA -0.213 nan 4.420 nan 0.000 0.216 177 P C 1.474 178.627 177.300 -0.246 0.000 1.150 177 P CA 1.506 64.322 63.100 -0.473 0.000 0.837 177 P CB -0.019 31.377 31.700 -0.506 0.000 0.786 178 K N -0.937 119.306 120.400 -0.261 0.000 2.097 178 K HA -0.098 4.221 4.320 -0.002 0.000 0.205 178 K C 1.945 178.653 176.600 0.180 0.000 1.050 178 K CA 1.217 57.449 56.287 -0.092 0.000 0.938 178 K CB -0.573 31.799 32.500 -0.212 0.000 0.718 178 K HN 0.081 nan 8.250 nan 0.000 0.442 179 F N 0.827 120.806 119.950 0.048 0.000 2.134 179 F HA -0.199 4.327 4.527 -0.002 0.000 0.299 179 F C 2.008 177.957 175.800 0.248 0.000 1.097 179 F CA 0.447 58.582 58.000 0.225 0.000 1.264 179 F CB -0.108 38.973 39.000 0.134 0.000 1.001 179 F HN -0.025 nan 8.300 nan 0.000 0.479 180 L N -0.170 121.107 121.223 0.090 0.000 2.127 180 L HA -0.265 4.074 4.340 -0.002 0.000 0.211 180 L C 2.364 179.180 176.870 -0.089 0.000 1.089 180 L CA 1.276 55.916 54.840 -0.334 0.000 0.757 180 L CB -0.659 41.183 42.059 -0.363 0.000 0.899 180 L HN 0.249 nan 8.230 nan 0.000 0.434 181 Q N -0.825 119.037 119.800 0.104 0.000 2.119 181 Q HA -0.168 4.171 4.340 -0.002 0.000 0.201 181 Q C 1.990 178.085 176.000 0.157 0.000 0.972 181 Q CA 1.424 57.271 55.803 0.074 0.000 0.847 181 Q CB -0.078 28.645 28.738 -0.025 0.000 0.903 181 Q HN 0.402 nan 8.270 nan 0.000 0.433 182 F N -0.751 119.405 119.950 0.345 0.000 2.641 182 F HA -0.067 4.459 4.527 -0.002 0.000 0.298 182 F C 1.330 177.422 175.800 0.488 0.000 1.146 182 F CA 0.631 58.898 58.000 0.446 0.000 1.464 182 F CB -0.191 39.173 39.000 0.607 0.000 1.101 182 F HN 0.077 nan 8.300 nan 0.000 0.585 183 F N 0.356 120.489 119.950 0.305 0.000 2.202 183 F HA -0.241 4.285 4.527 -0.002 0.000 0.301 183 F C 1.938 177.832 175.800 0.158 0.000 1.082 183 F CA 0.982 59.101 58.000 0.198 0.000 1.313 183 F CB -0.289 38.809 39.000 0.163 0.000 1.024 183 F HN -0.134 nan 8.300 nan 0.000 0.495 184 K N -1.183 119.416 120.400 0.331 0.000 2.404 184 K HA -0.006 4.313 4.320 -0.002 0.000 0.194 184 K C 0.107 176.803 176.600 0.160 0.000 1.023 184 K CA -0.188 56.212 56.287 0.188 0.000 1.094 184 K CB -0.163 32.408 32.500 0.118 0.000 0.841 184 K HN 0.131 nan 8.250 nan 0.000 0.523 185 H N -0.341 118.813 119.070 0.140 0.000 2.771 185 H HA 0.030 4.585 4.556 -0.002 0.000 0.364 185 H C 1.091 176.493 175.328 0.124 0.000 1.133 185 H CA 0.522 56.656 56.048 0.143 0.000 1.423 185 H CB 0.949 30.881 29.762 0.284 0.000 1.425 185 H HN -0.071 nan 8.280 nan 0.000 0.606 186 S N 1.710 117.171 115.700 -0.399 0.000 2.378 186 S HA -0.183 4.286 4.470 -0.002 0.000 0.221 186 S C 0.626 175.253 174.600 0.044 0.000 1.037 186 S CA 1.332 59.423 58.200 -0.182 0.000 1.069 186 S CB -0.472 62.561 63.200 -0.277 0.000 1.006 186 S HN 0.837 nan 8.310 nan 0.000 0.423 187 S N 2.309 118.144 115.700 0.224 0.000 2.560 187 S HA 0.144 4.613 4.470 -0.002 0.000 0.284 187 S C -2.054 172.693 174.600 0.245 0.000 1.327 187 S CA -1.037 57.313 58.200 0.250 0.000 1.055 187 S CB 0.834 64.259 63.200 0.374 0.000 0.868 187 S HN 0.078 nan 8.310 nan 0.000 0.506 188 P HA 0.118 nan 4.420 nan 0.000 0.224 188 P C 1.204 178.513 177.300 0.015 0.000 1.157 188 P CA 0.551 63.685 63.100 0.056 0.000 0.799 188 P CB 0.073 31.783 31.700 0.016 0.000 0.809 189 K N 0.118 120.549 120.400 0.051 0.000 2.103 189 K HA -0.104 4.215 4.320 -0.002 0.000 0.207 189 K C 1.945 178.503 176.600 -0.071 0.000 1.048 189 K CA 1.299 57.571 56.287 -0.025 0.000 0.930 189 K CB -0.878 31.682 32.500 0.100 0.000 0.716 189 K HN 0.056 nan 8.250 nan 0.000 0.444 190 I N 0.817 121.444 120.570 0.096 0.000 2.193 190 I HA -0.247 3.922 4.170 -0.002 0.000 0.240 190 I C 2.268 178.314 176.117 -0.120 0.000 1.084 190 I CA 1.147 62.474 61.300 0.046 0.000 1.365 190 I CB -0.248 37.811 38.000 0.098 0.000 1.064 190 I HN 0.204 nan 8.210 nan 0.000 0.410 191 R N 0.318 120.825 120.500 0.011 0.000 2.193 191 R HA -0.129 4.210 4.340 -0.002 0.000 0.229 191 R C 2.203 178.333 176.300 -0.283 0.000 1.110 191 R CA 1.511 57.570 56.100 -0.069 0.000 0.988 191 R CB -0.862 29.437 30.300 -0.000 0.000 0.871 191 R HN 0.247 nan 8.270 nan 0.000 0.458 192 S N 0.988 116.522 115.700 -0.277 0.000 2.343 192 S HA -0.207 4.262 4.470 -0.002 0.000 0.219 192 S C 1.898 176.248 174.600 -0.418 0.000 1.033 192 S CA 1.079 59.074 58.200 -0.342 0.000 1.014 192 S CB -0.393 62.601 63.200 -0.344 0.000 0.915 192 S HN 0.516 nan 8.310 nan 0.000 0.435 193 H N 1.298 120.092 119.070 -0.459 0.000 2.353 193 H HA -0.055 4.500 4.556 -0.002 0.000 0.298 193 H C 2.554 177.377 175.328 -0.841 0.000 1.103 193 H CA 1.557 57.201 56.048 -0.674 0.000 1.293 193 H CB -1.035 28.149 29.762 -0.963 0.000 1.372 193 H HN 0.579 nan 8.280 nan 0.000 0.501 194 A N 0.642 122.993 122.820 -0.782 0.000 1.902 194 A HA -0.115 4.204 4.320 -0.002 0.000 0.217 194 A C 2.892 180.494 177.584 0.030 0.000 1.181 194 A CA 1.823 53.678 52.037 -0.302 0.000 0.623 194 A CB -0.803 18.329 19.000 0.221 0.000 0.818 194 A HN 0.227 nan 8.150 nan 0.000 0.443 195 V N -0.226 119.543 119.914 -0.242 0.000 2.379 195 V HA -0.177 3.942 4.120 -0.002 0.000 0.245 195 V C 3.039 179.132 176.094 -0.003 0.000 1.044 195 V CA 1.677 63.890 62.300 -0.144 0.000 1.036 195 V CB -1.316 30.275 31.823 -0.386 0.000 0.664 195 V HN 0.612 nan 8.190 nan 0.000 0.453 196 A N -0.575 122.175 122.820 -0.117 0.000 1.892 196 A HA -0.302 4.017 4.320 -0.002 0.000 0.218 196 A C 2.390 179.940 177.584 -0.057 0.000 1.188 196 A CA 2.509 54.495 52.037 -0.085 0.000 0.631 196 A CB -1.259 17.666 19.000 -0.125 0.000 0.822 196 A HN 0.588 nan 8.150 nan 0.000 0.447 197 C N -1.365 117.857 119.300 -0.130 0.000 2.432 197 C HA -0.060 4.399 4.460 -0.002 0.000 0.277 197 C C 2.762 177.833 174.990 0.136 0.000 1.249 197 C CA 1.043 59.976 59.018 -0.141 0.000 1.725 197 C CB -1.296 26.044 27.740 -0.666 0.000 2.028 197 C HN 0.470 nan 8.230 nan 0.000 0.477 198 V N 1.995 121.997 119.914 0.147 0.000 2.407 198 V HA -0.201 3.918 4.120 -0.002 0.000 0.248 198 V C 2.145 178.347 176.094 0.181 0.000 1.055 198 V CA 1.987 64.407 62.300 0.199 0.000 1.049 198 V CB -0.763 31.056 31.823 -0.006 0.000 0.662 198 V HN 0.526 nan 8.190 nan 0.000 0.455 199 N N 0.330 119.125 118.700 0.159 0.000 2.192 199 N HA -0.183 4.556 4.740 -0.002 0.000 0.188 199 N C 1.752 177.295 175.510 0.054 0.000 1.013 199 N CA 1.077 54.211 53.050 0.139 0.000 0.863 199 N CB -0.354 38.203 38.487 0.116 0.000 0.990 199 N HN 0.475 nan 8.380 nan 0.000 0.430 200 Q N -0.735 119.051 119.800 -0.023 0.000 2.541 200 Q HA 0.040 4.379 4.340 -0.002 0.000 0.215 200 Q C 0.695 176.420 176.000 -0.459 0.000 0.977 200 Q CA 0.571 56.218 55.803 -0.261 0.000 0.934 200 Q CB -0.185 28.312 28.738 -0.402 0.000 0.988 200 Q HN 0.493 nan 8.270 nan 0.000 0.521 201 F N -1.584 118.360 119.950 -0.010 0.000 2.728 201 F HA 0.225 4.751 4.527 -0.002 0.000 0.314 201 F C 1.718 177.507 175.800 -0.020 0.000 1.094 201 F CA -0.349 57.641 58.000 -0.017 0.000 1.217 201 F CB 0.081 39.067 39.000 -0.024 0.000 1.056 201 F HN -0.075 nan 8.300 nan 0.000 0.577 202 I N 0.486 121.132 120.570 0.127 0.000 2.099 202 I HA -0.313 3.856 4.170 -0.002 0.000 0.239 202 I C 2.142 178.307 176.117 0.080 0.000 1.066 202 I CA 1.804 63.171 61.300 0.112 0.000 1.324 202 I CB -0.540 37.551 38.000 0.151 0.000 1.037 202 I HN 0.058 nan 8.210 nan 0.000 0.401 203 I N 0.743 121.340 120.570 0.045 0.000 2.163 203 I HA -0.336 3.833 4.170 -0.002 0.000 0.243 203 I C 2.876 179.007 176.117 0.024 0.000 1.085 203 I CA 1.784 63.097 61.300 0.022 0.000 1.347 203 I CB -0.671 37.324 38.000 -0.008 0.000 1.044 203 I HN 0.322 nan 8.210 nan 0.000 0.408 204 S N 1.179 116.894 115.700 0.025 0.000 2.372 204 S HA -0.312 4.157 4.470 -0.002 0.000 0.227 204 S C 1.550 176.183 174.600 0.054 0.000 1.044 204 S CA 1.729 59.952 58.200 0.039 0.000 1.050 204 S CB -0.317 62.922 63.200 0.065 0.000 0.901 204 S HN 0.496 nan 8.310 nan 0.000 0.447 205 R N 0.983 121.525 120.500 0.070 0.000 3.527 205 R HA -0.106 4.233 4.340 -0.002 0.000 0.288 205 R C -0.760 175.573 176.300 0.054 0.000 1.146 205 R CA 0.676 56.812 56.100 0.060 0.000 0.778 205 R CB -2.478 27.848 30.300 0.044 0.000 1.289 205 R HN 0.665 nan 8.270 nan 0.000 0.454 206 T N -0.306 114.289 114.554 0.069 0.000 2.900 206 T HA -0.042 4.307 4.350 -0.002 0.000 0.307 206 T C 1.289 176.003 174.700 0.023 0.000 1.065 206 T CA -0.064 62.064 62.100 0.048 0.000 1.105 206 T CB 1.453 70.355 68.868 0.057 0.000 0.979 206 T HN 0.371 nan 8.240 nan 0.000 0.544 207 Q N 1.507 121.315 119.800 0.014 0.000 2.077 207 Q HA -0.218 4.121 4.340 -0.002 0.000 0.206 207 Q C 2.446 178.455 176.000 0.014 0.000 0.989 207 Q CA 1.834 57.644 55.803 0.012 0.000 0.853 207 Q CB -0.540 28.201 28.738 0.005 0.000 0.907 207 Q HN 0.894 nan 8.270 nan 0.000 0.418 208 A N 0.174 122.983 122.820 -0.019 0.000 1.986 208 A HA -0.200 4.119 4.320 -0.002 0.000 0.220 208 A C 1.900 179.465 177.584 -0.032 0.000 1.171 208 A CA 1.515 53.524 52.037 -0.047 0.000 0.640 208 A CB -0.572 18.334 19.000 -0.156 0.000 0.811 208 A HN 0.490 nan 8.150 nan 0.000 0.451 209 L N -1.478 119.717 121.223 -0.046 0.000 2.168 209 L HA 0.075 4.414 4.340 -0.002 0.000 0.203 209 L C 2.174 179.073 176.870 0.049 0.000 1.078 209 L CA 1.450 56.262 54.840 -0.046 0.000 0.780 209 L CB -0.464 41.550 42.059 -0.075 0.000 0.939 209 L HN 0.246 nan 8.230 nan 0.000 0.451 210 M N -0.772 118.858 119.600 0.050 0.000 2.358 210 M HA -0.125 4.354 4.480 -0.002 0.000 0.264 210 M C 2.135 178.463 176.300 0.046 0.000 1.064 210 M CA 1.365 56.697 55.300 0.054 0.000 1.093 210 M CB -1.061 31.563 32.600 0.040 0.000 1.401 210 M HN 0.274 nan 8.290 nan 0.000 0.440 211 L N -1.338 119.922 121.223 0.061 0.000 2.395 211 L HA -0.132 4.207 4.340 -0.002 0.000 0.218 211 L C 1.333 178.111 176.870 -0.153 0.000 1.130 211 L CA 0.696 55.523 54.840 -0.021 0.000 0.826 211 L CB -0.349 41.705 42.059 -0.007 0.000 0.941 211 L HN 0.408 nan 8.230 nan 0.000 0.451 212 H N -1.097 117.957 119.070 -0.025 0.000 2.567 212 H HA 0.178 4.732 4.556 -0.002 0.000 0.267 212 H C 1.740 177.085 175.328 0.028 0.000 1.148 212 H CA -0.043 55.993 56.048 -0.020 0.000 1.031 212 H CB 0.663 30.389 29.762 -0.060 0.000 1.691 212 H HN 0.313 nan 8.280 nan 0.000 0.588 213 I N -0.516 120.134 120.570 0.133 0.000 2.127 213 I HA -0.235 3.934 4.170 -0.002 0.000 0.241 213 I C 1.872 178.055 176.117 0.111 0.000 1.075 213 I CA 1.468 62.864 61.300 0.161 0.000 1.334 213 I CB -0.260 37.809 38.000 0.116 0.000 1.040 213 I HN -0.059 nan 8.210 nan 0.000 0.405 214 D N 0.867 121.299 120.400 0.053 0.000 2.133 214 D HA -0.213 4.426 4.640 -0.002 0.000 0.195 214 D C 2.350 178.651 176.300 0.002 0.000 0.997 214 D CA 2.031 56.041 54.000 0.017 0.000 0.840 214 D CB -0.221 40.592 40.800 0.021 0.000 0.947 214 D HN 0.446 nan 8.370 nan 0.000 0.452 215 S N -0.366 115.358 115.700 0.039 0.000 2.382 215 S HA -0.162 4.307 4.470 -0.002 0.000 0.228 215 S C 1.758 176.390 174.600 0.054 0.000 1.027 215 S CA 0.504 58.730 58.200 0.043 0.000 0.991 215 S CB -0.327 62.922 63.200 0.081 0.000 0.823 215 S HN 0.175 nan 8.310 nan 0.000 0.469 216 F N 2.100 121.994 119.950 -0.093 0.000 2.113 216 F HA 0.053 4.579 4.527 -0.002 0.000 0.297 216 F C 1.822 177.544 175.800 -0.131 0.000 1.103 216 F CA 1.130 59.054 58.000 -0.126 0.000 1.248 216 F CB -0.883 38.078 39.000 -0.066 0.000 0.999 216 F HN 0.217 nan 8.300 nan 0.000 0.475 217 I N 0.369 120.746 120.570 -0.322 0.000 2.142 217 I HA -0.314 3.855 4.170 -0.002 0.000 0.240 217 I C 2.370 178.038 176.117 -0.748 0.000 1.078 217 I CA 1.850 62.739 61.300 -0.684 0.000 1.343 217 I CB -0.563 37.102 38.000 -0.558 0.000 1.046 217 I HN 0.154 nan 8.210 nan 0.000 0.405 218 E N 0.584 120.552 120.200 -0.386 0.000 2.118 218 E HA -0.235 4.114 4.350 -0.002 0.000 0.195 218 E C 1.865 178.402 176.600 -0.104 0.000 0.992 218 E CA 1.207 57.489 56.400 -0.196 0.000 0.804 218 E CB -0.116 29.558 29.700 -0.043 0.000 0.741 218 E HN 0.421 nan 8.360 nan 0.000 0.458 219 N N 0.291 118.957 118.700 -0.056 0.000 2.309 219 N HA -0.081 4.658 4.740 -0.002 0.000 0.182 219 N C 1.776 177.372 175.510 0.145 0.000 1.018 219 N CA 0.638 53.761 53.050 0.123 0.000 0.876 219 N CB 0.012 38.624 38.487 0.208 0.000 0.972 219 N HN 0.177 nan 8.380 nan 0.000 0.434 220 L N -0.348 120.812 121.223 -0.106 0.000 2.005 220 L HA -0.099 4.239 4.340 -0.002 0.000 0.207 220 L C 1.920 178.709 176.870 -0.136 0.000 1.072 220 L CA 0.924 55.641 54.840 -0.205 0.000 0.744 220 L CB -0.428 41.324 42.059 -0.510 0.000 0.895 220 L HN 0.001 nan 8.230 nan 0.000 0.433 221 F N 0.497 120.321 119.950 -0.209 0.000 2.095 221 F HA -0.218 4.308 4.527 -0.002 0.000 0.298 221 F C 2.657 178.353 175.800 -0.172 0.000 1.104 221 F CA 0.971 58.826 58.000 -0.240 0.000 1.232 221 F CB -1.475 37.383 39.000 -0.237 0.000 0.987 221 F HN 0.036 nan 8.300 nan 0.000 0.475 222 A N -0.640 122.236 122.820 0.094 0.000 2.178 222 A HA -0.065 4.254 4.320 -0.002 0.000 0.218 222 A C 2.152 179.751 177.584 0.026 0.000 1.157 222 A CA 1.087 53.157 52.037 0.055 0.000 0.689 222 A CB -0.887 18.154 19.000 0.069 0.000 0.787 222 A HN 0.453 nan 8.150 nan 0.000 0.465 223 L N -2.016 119.208 121.223 0.000 0.000 2.664 223 L HA 0.157 4.496 4.340 -0.002 0.000 0.233 223 L C 2.637 179.466 176.870 -0.067 0.000 1.113 223 L CA 0.468 55.288 54.840 -0.034 0.000 0.896 223 L CB -0.141 41.877 42.059 -0.069 0.000 1.163 223 L HN 0.389 nan 8.230 nan 0.000 0.497 224 A N 0.783 123.525 122.820 -0.131 0.000 1.870 224 A HA -0.266 4.053 4.320 -0.002 0.000 0.219 224 A C 2.151 179.701 177.584 -0.057 0.000 1.224 224 A CA 2.222 54.088 52.037 -0.285 0.000 0.650 224 A CB -1.407 17.260 19.000 -0.555 0.000 0.836 224 A HN 0.422 nan 8.150 nan 0.000 0.454 225 G N -0.823 107.957 108.800 -0.033 0.000 2.708 225 G HA2 0.051 4.010 3.960 -0.002 0.000 0.210 225 G HA3 0.051 4.010 3.960 -0.002 0.000 0.210 225 G C 0.273 175.191 174.900 0.030 0.000 1.141 225 G CA 0.684 45.801 45.100 0.029 0.000 0.788 225 G HN 0.530 nan 8.290 nan 0.000 0.531 226 D N 0.072 120.482 120.400 0.016 0.000 2.493 226 D HA -0.001 4.638 4.640 -0.002 0.000 0.240 226 D C 1.421 177.729 176.300 0.012 0.000 1.142 226 D CA -0.028 53.976 54.000 0.007 0.000 0.872 226 D CB 0.639 41.431 40.800 -0.013 0.000 1.173 226 D HN 0.316 nan 8.370 nan 0.000 0.467 227 E N 2.266 122.469 120.200 0.006 0.000 2.106 227 E HA -0.197 4.152 4.350 -0.002 0.000 0.192 227 E C 0.052 176.651 176.600 -0.003 0.000 0.984 227 E CA 0.410 56.812 56.400 0.004 0.000 0.806 227 E CB 0.168 29.869 29.700 0.002 0.000 0.750 227 E HN 0.463 nan 8.360 nan 0.000 0.458 228 E N 0.941 121.135 120.200 -0.010 0.000 2.366 228 E HA -0.016 4.333 4.350 -0.002 0.000 0.266 228 E C -1.977 174.607 176.600 -0.026 0.000 1.015 228 E CA -1.490 54.898 56.400 -0.021 0.000 0.906 228 E CB 1.207 30.890 29.700 -0.029 0.000 0.979 228 E HN -0.040 nan 8.360 nan 0.000 0.443 229 P HA -0.201 nan 4.420 nan 0.000 0.215 229 P C 0.774 178.049 177.300 -0.042 0.000 1.157 229 P CA 1.493 64.576 63.100 -0.030 0.000 0.874 229 P CB 0.229 31.912 31.700 -0.028 0.000 0.790 230 E N -0.648 119.516 120.200 -0.059 0.000 2.110 230 E HA -0.142 4.207 4.350 -0.002 0.000 0.193 230 E C 1.814 178.354 176.600 -0.100 0.000 0.988 230 E CA 1.022 57.371 56.400 -0.086 0.000 0.804 230 E CB -0.798 28.832 29.700 -0.117 0.000 0.745 230 E HN -0.078 nan 8.360 nan 0.000 0.458 231 V N 0.367 120.224 119.914 -0.096 0.000 2.270 231 V HA -0.227 3.892 4.120 -0.002 0.000 0.245 231 V C 2.419 178.473 176.094 -0.068 0.000 1.043 231 V CA 2.086 64.321 62.300 -0.109 0.000 1.014 231 V CB -0.490 31.273 31.823 -0.100 0.000 0.645 231 V HN 0.235 nan 8.190 nan 0.000 0.447 232 R N -0.005 120.480 120.500 -0.025 0.000 2.103 232 R HA -0.229 4.110 4.340 -0.002 0.000 0.242 232 R C 2.487 178.794 176.300 0.013 0.000 1.142 232 R CA 1.937 58.053 56.100 0.026 0.000 0.960 232 R CB -0.369 29.952 30.300 0.034 0.000 0.858 232 R HN 0.486 nan 8.270 nan 0.000 0.439 233 K N 0.722 121.110 120.400 -0.020 0.000 2.032 233 K HA -0.191 4.128 4.320 -0.002 0.000 0.209 233 K C 1.418 178.009 176.600 -0.016 0.000 1.048 233 K CA 2.136 58.410 56.287 -0.022 0.000 0.927 233 K CB -0.112 32.369 32.500 -0.032 0.000 0.712 233 K HN 0.205 nan 8.250 nan 0.000 0.441 234 N N -0.178 118.500 118.700 -0.037 0.000 2.270 234 N HA -0.097 4.642 4.740 -0.002 0.000 0.181 234 N C 1.696 177.202 175.510 -0.008 0.000 1.016 234 N CA 0.883 53.913 53.050 -0.033 0.000 0.870 234 N CB 0.170 38.609 38.487 -0.080 0.000 0.979 234 N HN -0.048 nan 8.380 nan 0.000 0.431 235 V N 0.374 120.275 119.914 -0.021 0.000 2.332 235 V HA -0.316 3.803 4.120 -0.002 0.000 0.248 235 V C 2.308 178.428 176.094 0.043 0.000 1.055 235 V CA 1.320 63.615 62.300 -0.008 0.000 1.038 235 V CB -0.621 31.197 31.823 -0.009 0.000 0.651 235 V HN 0.509 nan 8.190 nan 0.000 0.450 236 C N -0.550 118.791 119.300 0.068 0.000 2.436 236 C HA -0.155 4.304 4.460 -0.002 0.000 0.277 236 C C 2.976 177.999 174.990 0.054 0.000 1.241 236 C CA 1.488 60.540 59.018 0.056 0.000 1.721 236 C CB -1.037 26.704 27.740 0.001 0.000 2.043 236 C HN 0.550 nan 8.230 nan 0.000 0.472 237 R N 0.865 121.392 120.500 0.045 0.000 2.091 237 R HA -0.142 4.197 4.340 -0.002 0.000 0.238 237 R C 2.228 178.577 176.300 0.081 0.000 1.136 237 R CA 1.776 57.908 56.100 0.054 0.000 0.959 237 R CB -0.424 29.898 30.300 0.037 0.000 0.856 237 R HN 0.508 nan 8.270 nan 0.000 0.437 238 A N 0.816 123.692 122.820 0.095 0.000 1.883 238 A HA -0.175 4.144 4.320 -0.002 0.000 0.217 238 A C 2.164 179.805 177.584 0.095 0.000 1.186 238 A CA 1.454 53.576 52.037 0.140 0.000 0.624 238 A CB -0.625 18.462 19.000 0.145 0.000 0.822 238 A HN 0.364 nan 8.150 nan 0.000 0.444 239 L N -0.618 120.646 121.223 0.068 0.000 2.141 239 L HA -0.128 4.211 4.340 -0.002 0.000 0.209 239 L C 2.470 179.467 176.870 0.212 0.000 1.094 239 L CA 0.686 55.592 54.840 0.111 0.000 0.763 239 L CB -0.372 41.744 42.059 0.094 0.000 0.908 239 L HN 0.259 nan 8.230 nan 0.000 0.437 240 V N -0.452 119.574 119.914 0.188 0.000 2.307 240 V HA -0.299 3.820 4.120 -0.002 0.000 0.245 240 V C 2.422 178.550 176.094 0.056 0.000 1.045 240 V CA 1.843 64.227 62.300 0.140 0.000 1.024 240 V CB -0.339 31.542 31.823 0.097 0.000 0.651 240 V HN 0.370 nan 8.190 nan 0.000 0.449 241 M N -0.769 118.873 119.600 0.071 0.000 2.159 241 M HA -0.148 4.331 4.480 -0.002 0.000 0.263 241 M C 2.091 178.433 176.300 0.071 0.000 1.063 241 M CA 1.846 57.183 55.300 0.061 0.000 1.110 241 M CB -0.396 32.254 32.600 0.082 0.000 1.374 241 M HN 0.243 nan 8.290 nan 0.000 0.411 242 L N -0.351 120.932 121.223 0.099 0.000 2.275 242 L HA -0.191 4.148 4.340 -0.002 0.000 0.215 242 L C 2.278 179.186 176.870 0.064 0.000 1.119 242 L CA 0.187 55.085 54.840 0.097 0.000 0.790 242 L CB -0.421 41.694 42.059 0.092 0.000 0.919 242 L HN 0.294 nan 8.230 nan 0.000 0.443 243 L N -0.159 121.089 121.223 0.041 0.000 2.046 243 L HA -0.190 4.149 4.340 -0.002 0.000 0.208 243 L C 2.331 179.181 176.870 -0.034 0.000 1.077 243 L CA 1.775 56.602 54.840 -0.021 0.000 0.747 243 L CB -0.408 41.560 42.059 -0.152 0.000 0.896 243 L HN 0.247 nan 8.230 nan 0.000 0.432 244 E N -1.100 119.084 120.200 -0.027 0.000 2.012 244 E HA -0.044 4.305 4.350 -0.002 0.000 0.192 244 E C 0.494 177.094 176.600 0.001 0.000 0.977 244 E CA 0.454 56.840 56.400 -0.023 0.000 0.832 244 E CB -0.257 29.429 29.700 -0.024 0.000 0.790 244 E HN 0.098 nan 8.360 nan 0.000 0.466 245 V N 2.178 122.102 119.914 0.017 0.000 2.493 245 V HA -0.054 4.065 4.120 -0.002 0.000 0.292 245 V C 0.538 176.658 176.094 0.044 0.000 1.016 245 V CA 0.707 63.026 62.300 0.032 0.000 1.097 245 V CB 0.040 31.890 31.823 0.045 0.000 0.947 245 V HN 0.503 nan 8.190 nan 0.000 0.479 246 R N 3.636 124.160 120.500 0.040 0.000 3.184 246 R HA -0.205 4.134 4.340 -0.002 0.000 0.257 246 R C 0.813 177.143 176.300 0.051 0.000 0.999 246 R CA 0.794 56.924 56.100 0.050 0.000 0.670 246 R CB -1.133 29.207 30.300 0.068 0.000 1.197 246 R HN 0.803 nan 8.270 nan 0.000 0.419 247 M N 1.204 120.827 119.600 0.038 0.000 2.159 247 M HA -0.137 4.342 4.480 -0.002 0.000 0.263 247 M C 1.596 177.929 176.300 0.054 0.000 1.063 247 M CA 2.570 57.893 55.300 0.038 0.000 1.110 247 M CB -0.167 32.444 32.600 0.018 0.000 1.374 247 M HN 0.503 nan 8.290 nan 0.000 0.411 248 D N -0.736 119.693 120.400 0.048 0.000 2.190 248 D HA -0.233 4.406 4.640 -0.002 0.000 0.200 248 D C 1.701 178.043 176.300 0.069 0.000 0.992 248 D CA 1.296 55.325 54.000 0.049 0.000 0.854 248 D CB -0.725 40.099 40.800 0.039 0.000 0.936 248 D HN 0.350 nan 8.370 nan 0.000 0.462 249 R N -0.303 120.248 120.500 0.084 0.000 2.200 249 R HA 0.228 4.567 4.340 -0.002 0.000 0.208 249 R C 2.321 178.738 176.300 0.195 0.000 1.033 249 R CA 0.128 56.297 56.100 0.116 0.000 1.000 249 R CB -0.234 30.120 30.300 0.090 0.000 0.906 249 R HN 0.356 nan 8.270 nan 0.000 0.462 250 L N -0.144 121.185 121.223 0.176 0.000 2.375 250 L HA -0.022 4.317 4.340 -0.002 0.000 0.215 250 L C 2.077 179.080 176.870 0.220 0.000 1.108 250 L CA 0.010 55.000 54.840 0.250 0.000 0.830 250 L CB -0.291 41.884 42.059 0.194 0.000 0.959 250 L HN 0.033 nan 8.230 nan 0.000 0.457 251 L N 1.234 122.533 121.223 0.128 0.000 1.997 251 L HA -0.178 4.161 4.340 -0.002 0.000 0.216 251 L C -0.283 176.609 176.870 0.036 0.000 1.074 251 L CA 2.386 57.267 54.840 0.069 0.000 0.763 251 L CB -1.396 40.689 42.059 0.044 0.000 0.890 251 L HN 0.126 nan 8.230 nan 0.000 0.434 252 P HA -0.141 nan 4.420 nan 0.000 0.219 252 P C 0.638 177.822 177.300 -0.193 0.000 1.146 252 P CA 1.613 64.630 63.100 -0.139 0.000 0.808 252 P CB -0.100 31.441 31.700 -0.265 0.000 0.779 253 H N -3.358 115.764 119.070 0.086 0.000 2.586 253 H HA 0.217 4.772 4.556 -0.002 0.000 0.273 253 H C 1.709 177.055 175.328 0.029 0.000 0.997 253 H CA -0.163 55.911 56.048 0.043 0.000 1.177 253 H CB -0.169 29.645 29.762 0.087 0.000 1.471 253 H HN -0.071 nan 8.280 nan 0.000 0.538 254 M N 0.296 119.968 119.600 0.121 0.000 2.089 254 M HA -0.228 4.251 4.480 -0.002 0.000 0.257 254 M C 1.631 177.949 176.300 0.030 0.000 1.071 254 M CA 1.832 57.172 55.300 0.067 0.000 1.096 254 M CB -0.343 32.248 32.600 -0.013 0.000 1.330 254 M HN 0.392 nan 8.290 nan 0.000 0.403 255 H N -0.413 118.718 119.070 0.101 0.000 2.456 255 H HA -0.026 4.529 4.556 -0.002 0.000 0.296 255 H C 1.813 177.178 175.328 0.061 0.000 1.079 255 H CA 1.494 57.610 56.048 0.114 0.000 1.322 255 H CB -0.339 29.513 29.762 0.149 0.000 1.388 255 H HN 0.578 nan 8.280 nan 0.000 0.538 256 N N 0.274 119.047 118.700 0.122 0.000 2.290 256 N HA -0.047 4.692 4.740 -0.002 0.000 0.179 256 N C 2.050 177.549 175.510 -0.019 0.000 1.016 256 N CA 0.422 53.481 53.050 0.015 0.000 0.871 256 N CB 0.255 38.678 38.487 -0.107 0.000 0.987 256 N HN 0.267 nan 8.380 nan 0.000 0.431 257 I N 1.057 121.609 120.570 -0.029 0.000 2.142 257 I HA -0.230 3.939 4.170 -0.002 0.000 0.240 257 I C 2.325 178.353 176.117 -0.149 0.000 1.078 257 I CA 0.840 62.104 61.300 -0.059 0.000 1.343 257 I CB -0.364 37.636 38.000 0.000 0.000 1.046 257 I HN -0.132 nan 8.210 nan 0.000 0.405 258 V N 0.737 120.597 119.914 -0.090 0.000 2.282 258 V HA -0.334 3.785 4.120 -0.002 0.000 0.249 258 V C 2.388 178.483 176.094 0.002 0.000 1.057 258 V CA 2.167 64.433 62.300 -0.058 0.000 1.032 258 V CB -0.707 31.031 31.823 -0.142 0.000 0.645 258 V HN 0.456 nan 8.190 nan 0.000 0.447 259 E N -1.326 118.887 120.200 0.022 0.000 2.153 259 E HA -0.241 4.108 4.350 -0.002 0.000 0.194 259 E C 2.071 178.716 176.600 0.075 0.000 0.988 259 E CA 1.536 57.989 56.400 0.088 0.000 0.811 259 E CB -0.207 29.570 29.700 0.129 0.000 0.746 259 E HN 0.777 nan 8.360 nan 0.000 0.466 260 Y N 0.817 121.070 120.300 -0.077 0.000 2.184 260 Y HA -0.182 4.367 4.550 -0.002 0.000 0.290 260 Y C 2.091 177.917 175.900 -0.123 0.000 1.129 260 Y CA 1.312 59.351 58.100 -0.102 0.000 1.144 260 Y CB 0.004 38.381 38.460 -0.140 0.000 0.995 260 Y HN -0.054 nan 8.280 nan 0.000 0.513 261 M N -0.561 118.840 119.600 -0.332 0.000 2.175 261 M HA -0.146 4.333 4.480 -0.002 0.000 0.264 261 M C 2.205 178.482 176.300 -0.039 0.000 1.063 261 M CA 1.129 56.144 55.300 -0.476 0.000 1.119 261 M CB -1.430 30.545 32.600 -1.041 0.000 1.377 261 M HN 0.421 nan 8.290 nan 0.000 0.415 262 L N 0.730 122.092 121.223 0.232 0.000 2.042 262 L HA -0.205 4.134 4.340 -0.002 0.000 0.210 262 L C 2.463 179.379 176.870 0.076 0.000 1.076 262 L CA 1.891 56.907 54.840 0.292 0.000 0.749 262 L CB -0.678 41.484 42.059 0.172 0.000 0.893 262 L HN 0.336 nan 8.230 nan 0.000 0.432 263 Q N -1.186 118.594 119.800 -0.034 0.000 2.311 263 Q HA -0.062 4.277 4.340 -0.002 0.000 0.203 263 Q C 2.195 178.106 176.000 -0.148 0.000 0.954 263 Q CA 0.568 56.323 55.803 -0.080 0.000 0.885 263 Q CB 0.084 28.776 28.738 -0.077 0.000 0.963 263 Q HN 0.403 nan 8.270 nan 0.000 0.471 264 R N -0.355 119.988 120.500 -0.261 0.000 2.127 264 R HA 0.042 4.381 4.340 -0.002 0.000 0.217 264 R C 2.059 178.289 176.300 -0.116 0.000 1.074 264 R CA 0.859 56.786 56.100 -0.288 0.000 0.991 264 R CB -0.874 29.115 30.300 -0.519 0.000 0.895 264 R HN 0.188 nan 8.270 nan 0.000 0.450 265 T N 2.154 116.706 114.554 -0.004 0.000 2.881 265 T HA -0.144 4.205 4.350 -0.002 0.000 0.270 265 T C 1.169 175.890 174.700 0.036 0.000 1.068 265 T CA 1.260 63.423 62.100 0.105 0.000 1.131 265 T CB -0.066 69.024 68.868 0.370 0.000 0.871 265 T HN 0.473 nan 8.240 nan 0.000 0.479 266 Q N 1.061 120.861 119.800 -0.001 0.000 2.302 266 Q HA 0.311 4.650 4.340 -0.002 0.000 0.332 266 Q C -0.616 175.362 176.000 -0.037 0.000 0.913 266 Q CA -0.420 55.370 55.803 -0.022 0.000 1.098 266 Q CB 0.252 28.975 28.738 -0.025 0.000 1.236 266 Q HN 0.261 nan 8.270 nan 0.000 0.436 267 D N 1.102 121.475 120.400 -0.045 0.000 2.344 267 D HA -0.015 4.624 4.640 -0.002 0.000 0.244 267 D C 0.944 177.221 176.300 -0.038 0.000 1.134 267 D CA 0.051 54.021 54.000 -0.051 0.000 0.930 267 D CB 1.247 42.008 40.800 -0.065 0.000 1.175 267 D HN 0.204 nan 8.370 nan 0.000 0.437 268 Q N 0.927 120.707 119.800 -0.034 0.000 2.030 268 Q HA -0.145 4.194 4.340 -0.002 0.000 0.204 268 Q C 0.503 176.486 176.000 -0.027 0.000 0.986 268 Q CA 1.112 56.898 55.803 -0.028 0.000 0.843 268 Q CB -0.239 28.485 28.738 -0.023 0.000 0.904 268 Q HN 0.566 nan 8.270 nan 0.000 0.420 269 D N 0.736 121.119 120.400 -0.028 0.000 2.348 269 D HA -0.010 4.629 4.640 -0.002 0.000 0.253 269 D C 0.541 176.825 176.300 -0.027 0.000 1.161 269 D CA 0.094 54.079 54.000 -0.026 0.000 0.876 269 D CB 1.331 42.116 40.800 -0.025 0.000 1.160 269 D HN 0.025 nan 8.370 nan 0.000 0.459 270 E N 3.116 123.302 120.200 -0.023 0.000 2.208 270 E HA -0.134 4.215 4.350 -0.002 0.000 0.193 270 E C 1.246 177.835 176.600 -0.018 0.000 0.988 270 E CA 1.017 57.403 56.400 -0.023 0.000 0.828 270 E CB 0.205 29.892 29.700 -0.022 0.000 0.763 270 E HN 0.442 nan 8.360 nan 0.000 0.478 271 N N -0.342 118.349 118.700 -0.015 0.000 2.142 271 N HA -0.118 4.621 4.740 -0.002 0.000 0.186 271 N C 1.821 177.324 175.510 -0.011 0.000 1.023 271 N CA 1.474 54.519 53.050 -0.009 0.000 0.852 271 N CB -0.258 38.222 38.487 -0.011 0.000 0.998 271 N HN 0.097 nan 8.380 nan 0.000 0.424 272 V N 1.856 121.756 119.914 -0.022 0.000 2.343 272 V HA -0.185 3.934 4.120 -0.002 0.000 0.247 272 V C 2.552 178.624 176.094 -0.036 0.000 1.051 272 V CA 1.812 64.093 62.300 -0.032 0.000 1.036 272 V CB -1.098 30.699 31.823 -0.043 0.000 0.654 272 V HN 0.263 nan 8.190 nan 0.000 0.451 273 A N 0.397 123.198 122.820 -0.031 0.000 1.858 273 A HA -0.207 4.112 4.320 -0.002 0.000 0.216 273 A C 2.193 179.776 177.584 -0.002 0.000 1.190 273 A CA 2.184 54.208 52.037 -0.023 0.000 0.617 273 A CB -0.711 18.276 19.000 -0.023 0.000 0.827 273 A HN 0.475 nan 8.150 nan 0.000 0.443 274 L N -0.403 120.819 121.223 -0.002 0.000 2.079 274 L HA -0.144 4.195 4.340 -0.002 0.000 0.210 274 L C 2.008 178.911 176.870 0.055 0.000 1.081 274 L CA 2.362 57.210 54.840 0.014 0.000 0.752 274 L CB -0.616 41.445 42.059 0.003 0.000 0.896 274 L HN 0.344 nan 8.230 nan 0.000 0.433 275 E N -0.007 120.215 120.200 0.036 0.000 2.152 275 E HA -0.080 4.269 4.350 -0.002 0.000 0.192 275 E C 2.204 178.809 176.600 0.008 0.000 0.983 275 E CA 1.190 57.613 56.400 0.038 0.000 0.818 275 E CB -0.317 29.394 29.700 0.019 0.000 0.758 275 E HN 0.654 nan 8.360 nan 0.000 0.467 276 A N 0.583 123.384 122.820 -0.032 0.000 1.897 276 A HA -0.151 4.168 4.320 -0.002 0.000 0.215 276 A C 2.527 180.038 177.584 -0.122 0.000 1.181 276 A CA 1.211 53.181 52.037 -0.111 0.000 0.620 276 A CB -1.031 17.883 19.000 -0.143 0.000 0.821 276 A HN 0.407 nan 8.150 nan 0.000 0.443 277 C N -0.233 119.087 119.300 0.033 0.000 2.411 277 C HA -0.124 4.335 4.460 -0.002 0.000 0.279 277 C C 2.507 177.574 174.990 0.129 0.000 1.288 277 C CA 1.638 60.768 59.018 0.187 0.000 1.764 277 C CB -1.244 26.601 27.740 0.175 0.000 1.974 277 C HN 0.709 nan 8.230 nan 0.000 0.498 278 E N -0.748 119.508 120.200 0.094 0.000 2.331 278 E HA -0.185 4.164 4.350 -0.002 0.000 0.199 278 E C 1.650 178.254 176.600 0.007 0.000 1.008 278 E CA 0.951 57.419 56.400 0.113 0.000 0.843 278 E CB -0.433 29.343 29.700 0.126 0.000 0.761 278 E HN 0.768 nan 8.360 nan 0.000 0.507 279 F N -1.011 118.740 119.950 -0.331 0.000 2.134 279 F HA -0.158 4.368 4.527 -0.002 0.000 0.299 279 F C 1.263 176.839 175.800 -0.374 0.000 1.097 279 F CA 1.616 59.324 58.000 -0.486 0.000 1.264 279 F CB -0.235 38.243 39.000 -0.870 0.000 1.001 279 F HN 0.124 nan 8.300 nan 0.000 0.479 280 W N -0.119 121.279 121.300 0.163 0.000 2.381 280 W HA -0.089 4.570 4.660 -0.002 0.000 0.301 280 W C 2.399 178.923 176.519 0.008 0.000 1.205 280 W CA 0.532 57.925 57.345 0.080 0.000 1.285 280 W CB -0.830 28.695 29.460 0.108 0.000 1.133 280 W HN -0.035 nan 8.180 nan 0.000 0.521 281 L N 0.254 121.611 121.223 0.223 0.000 2.012 281 L HA -0.253 4.086 4.340 -0.002 0.000 0.210 281 L C 2.370 179.260 176.870 0.033 0.000 1.073 281 L CA 1.837 56.761 54.840 0.141 0.000 0.748 281 L CB -0.725 41.437 42.059 0.172 0.000 0.891 281 L HN 0.025 nan 8.230 nan 0.000 0.431 282 T N -0.283 114.236 114.554 -0.059 0.000 2.770 282 T HA -0.185 4.164 4.350 -0.002 0.000 0.263 282 T C 1.692 176.280 174.700 -0.187 0.000 1.039 282 T CA 1.286 63.304 62.100 -0.138 0.000 1.142 282 T CB -0.284 68.462 68.868 -0.202 0.000 0.868 282 T HN 0.170 nan 8.240 nan 0.000 0.435 283 L N 1.928 122.970 121.223 -0.301 0.000 2.012 283 L HA 0.016 4.355 4.340 -0.002 0.000 0.210 283 L C 2.629 179.455 176.870 -0.074 0.000 1.073 283 L CA 2.015 56.704 54.840 -0.251 0.000 0.748 283 L CB -1.186 40.706 42.059 -0.279 0.000 0.891 283 L HN 0.245 nan 8.230 nan 0.000 0.431 284 A N -1.033 121.790 122.820 0.005 0.000 2.042 284 A HA -0.273 4.046 4.320 -0.002 0.000 0.222 284 A C 2.143 179.719 177.584 -0.013 0.000 1.167 284 A CA 2.084 54.139 52.037 0.030 0.000 0.649 284 A CB -0.666 18.381 19.000 0.077 0.000 0.809 284 A HN 0.662 nan 8.150 nan 0.000 0.457 285 E N -0.430 119.753 120.200 -0.028 0.000 2.489 285 E HA 0.006 4.355 4.350 -0.002 0.000 0.193 285 E C -0.144 176.430 176.600 -0.043 0.000 1.057 285 E CA -0.051 56.329 56.400 -0.032 0.000 0.866 285 E CB 0.177 29.859 29.700 -0.030 0.000 0.916 285 E HN 0.557 nan 8.360 nan 0.000 0.500 286 Q N 0.108 119.876 119.800 -0.054 0.000 2.278 286 Q HA 0.148 4.487 4.340 -0.002 0.000 0.257 286 Q C -1.894 174.079 176.000 -0.045 0.000 0.928 286 Q CA -2.193 53.580 55.803 -0.051 0.000 0.932 286 Q CB 0.949 29.649 28.738 -0.064 0.000 1.221 286 Q HN -0.083 nan 8.270 nan 0.000 0.434 287 P HA -0.249 nan 4.420 nan 0.000 0.222 287 P C 1.179 178.457 177.300 -0.036 0.000 1.159 287 P CA 1.782 64.861 63.100 -0.036 0.000 0.920 287 P CB -0.110 31.576 31.700 -0.024 0.000 0.793 288 I N -3.718 116.836 120.570 -0.025 0.000 3.334 288 I HA -0.099 4.070 4.170 -0.002 0.000 0.282 288 I C 2.398 178.510 176.117 -0.009 0.000 1.313 288 I CA 0.498 61.790 61.300 -0.013 0.000 1.396 288 I CB -1.372 36.626 38.000 -0.004 0.000 1.054 288 I HN 0.016 nan 8.210 nan 0.000 0.495 289 C N 2.054 121.338 119.300 -0.026 0.000 2.376 289 C HA -0.284 4.175 4.460 -0.002 0.000 0.275 289 C C 2.910 177.905 174.990 0.008 0.000 1.200 289 C CA 2.043 61.056 59.018 -0.008 0.000 1.756 289 C CB -0.916 26.800 27.740 -0.040 0.000 2.050 289 C HN 0.703 nan 8.230 nan 0.000 0.460 290 K N 0.022 120.369 120.400 -0.090 0.000 2.044 290 K HA -0.194 4.125 4.320 -0.002 0.000 0.210 290 K C 1.661 178.316 176.600 0.093 0.000 1.049 290 K CA 2.492 58.712 56.287 -0.112 0.000 0.927 290 K CB -0.260 32.126 32.500 -0.190 0.000 0.713 290 K HN 0.577 nan 8.250 nan 0.000 0.443 291 D N -0.297 120.141 120.400 0.063 0.000 2.178 291 D HA -0.110 4.529 4.640 -0.002 0.000 0.202 291 D C 1.893 178.263 176.300 0.116 0.000 0.974 291 D CA 0.813 54.866 54.000 0.090 0.000 0.841 291 D CB -0.080 40.754 40.800 0.056 0.000 0.953 291 D HN 0.029 nan 8.370 nan 0.000 0.478 292 V N 0.816 120.787 119.914 0.096 0.000 2.307 292 V HA -0.161 3.958 4.120 -0.002 0.000 0.245 292 V C 2.388 178.607 176.094 0.209 0.000 1.045 292 V CA 1.158 63.506 62.300 0.080 0.000 1.024 292 V CB -0.343 31.513 31.823 0.056 0.000 0.651 292 V HN 0.173 nan 8.190 nan 0.000 0.449 293 L N -0.483 120.893 121.223 0.256 0.000 2.591 293 L HA 0.010 4.349 4.340 -0.002 0.000 0.228 293 L C 2.212 179.231 176.870 0.249 0.000 1.133 293 L CA -0.037 54.989 54.840 0.310 0.000 0.880 293 L CB -0.279 41.959 42.059 0.297 0.000 1.033 293 L HN 0.160 nan 8.230 nan 0.000 0.450 294 V N 1.197 121.253 119.914 0.236 0.000 2.257 294 V HA -0.378 3.741 4.120 -0.002 0.000 0.257 294 V C 2.089 178.205 176.094 0.037 0.000 1.077 294 V CA 2.451 64.837 62.300 0.144 0.000 1.063 294 V CB -0.677 31.235 31.823 0.149 0.000 0.664 294 V HN 0.684 nan 8.190 nan 0.000 0.450 295 R N -1.104 119.417 120.500 0.034 0.000 2.586 295 R HA 0.204 4.543 4.340 -0.002 0.000 0.306 295 R C 0.787 176.854 176.300 -0.388 0.000 1.079 295 R CA 0.099 56.106 56.100 -0.154 0.000 1.083 295 R CB -0.131 30.056 30.300 -0.188 0.000 1.306 295 R HN 0.620 nan 8.270 nan 0.000 0.567 296 H N -0.070 118.983 119.070 -0.027 0.000 3.436 296 H HA 0.193 4.748 4.556 -0.002 0.000 0.244 296 H C 1.924 177.144 175.328 -0.181 0.000 1.009 296 H CA -0.133 55.881 56.048 -0.057 0.000 1.129 296 H CB 0.538 30.317 29.762 0.028 0.000 1.473 296 H HN 0.041 nan 8.280 nan 0.000 0.510 297 L N 1.382 122.486 121.223 -0.199 0.000 2.034 297 L HA -0.173 4.166 4.340 -0.002 0.000 0.217 297 L C -0.551 176.109 176.870 -0.350 0.000 1.077 297 L CA 1.817 56.410 54.840 -0.413 0.000 0.769 297 L CB -1.714 39.843 42.059 -0.836 0.000 0.890 297 L HN 0.181 nan 8.230 nan 0.000 0.435 298 P HA -0.188 nan 4.420 nan 0.000 0.218 298 P C 1.212 178.459 177.300 -0.088 0.000 1.146 298 P CA 1.542 64.583 63.100 -0.098 0.000 0.813 298 P CB 0.040 31.718 31.700 -0.036 0.000 0.778 299 K N -2.030 118.311 120.400 -0.098 0.000 2.276 299 K HA 0.068 4.387 4.320 -0.002 0.000 0.198 299 K C 1.761 178.274 176.600 -0.146 0.000 1.052 299 K CA 0.135 56.374 56.287 -0.080 0.000 0.984 299 K CB -0.452 32.036 32.500 -0.020 0.000 0.836 299 K HN 0.014 nan 8.250 nan 0.000 0.490 300 L N 1.308 122.400 121.223 -0.218 0.000 2.007 300 L HA -0.042 4.297 4.340 -0.002 0.000 0.205 300 L C 1.834 178.515 176.870 -0.315 0.000 1.073 300 L CA 1.492 56.103 54.840 -0.381 0.000 0.744 300 L CB -0.359 41.398 42.059 -0.503 0.000 0.898 300 L HN -0.018 nan 8.230 nan 0.000 0.435 301 I N 0.662 121.089 120.570 -0.239 0.000 2.118 301 I HA -0.233 3.936 4.170 -0.002 0.000 0.241 301 I C -0.588 175.449 176.117 -0.133 0.000 1.070 301 I CA 2.101 63.300 61.300 -0.168 0.000 1.327 301 I CB -1.697 36.232 38.000 -0.119 0.000 1.034 301 I HN 0.295 nan 8.210 nan 0.000 0.405 302 P HA -0.122 nan 4.420 nan 0.000 0.216 302 P C 2.094 179.331 177.300 -0.105 0.000 1.150 302 P CA 1.399 64.444 63.100 -0.092 0.000 0.837 302 P CB -0.055 31.601 31.700 -0.073 0.000 0.786 303 V N 0.094 119.929 119.914 -0.132 0.000 2.307 303 V HA -0.201 3.918 4.120 -0.002 0.000 0.245 303 V C 2.786 178.805 176.094 -0.125 0.000 1.045 303 V CA 1.444 63.669 62.300 -0.125 0.000 1.024 303 V CB -1.192 30.546 31.823 -0.142 0.000 0.651 303 V HN 0.010 nan 8.190 nan 0.000 0.449 304 L N -0.485 120.638 121.223 -0.166 0.000 2.012 304 L HA -0.187 4.152 4.340 -0.002 0.000 0.210 304 L C 2.508 179.315 176.870 -0.105 0.000 1.073 304 L CA 1.393 56.154 54.840 -0.132 0.000 0.748 304 L CB -0.663 41.305 42.059 -0.152 0.000 0.891 304 L HN 0.193 nan 8.230 nan 0.000 0.431 305 V N 0.164 120.016 119.914 -0.104 0.000 2.407 305 V HA -0.294 3.825 4.120 -0.002 0.000 0.248 305 V C 2.166 178.197 176.094 -0.105 0.000 1.055 305 V CA 2.160 64.404 62.300 -0.094 0.000 1.049 305 V CB -0.710 31.064 31.823 -0.082 0.000 0.662 305 V HN 0.536 nan 8.190 nan 0.000 0.455 306 N N 0.627 119.266 118.700 -0.101 0.000 2.331 306 N HA -0.065 4.674 4.740 -0.002 0.000 0.180 306 N C 1.771 177.216 175.510 -0.109 0.000 1.019 306 N CA 1.239 54.226 53.050 -0.104 0.000 0.881 306 N CB -0.283 38.150 38.487 -0.090 0.000 0.972 306 N HN 0.385 nan 8.380 nan 0.000 0.435 307 G N -0.134 108.605 108.800 -0.102 0.000 2.471 307 G HA2 -0.140 3.819 3.960 -0.002 0.000 0.219 307 G HA3 -0.140 3.819 3.960 -0.002 0.000 0.219 307 G C 1.324 176.142 174.900 -0.137 0.000 1.125 307 G CA 0.371 45.409 45.100 -0.103 0.000 0.775 307 G HN 0.326 nan 8.290 nan 0.000 0.548 308 M N 0.068 119.577 119.600 -0.151 0.000 2.492 308 M HA 0.131 4.610 4.480 -0.002 0.000 0.262 308 M C 0.811 176.954 176.300 -0.261 0.000 1.090 308 M CA 0.426 55.608 55.300 -0.196 0.000 1.110 308 M CB 0.014 32.516 32.600 -0.163 0.000 1.407 308 M HN -0.026 nan 8.290 nan 0.000 0.470 309 K N 0.853 121.124 120.400 -0.215 0.000 2.469 309 K HA -0.017 4.302 4.320 -0.002 0.000 0.274 309 K C -0.860 175.610 176.600 -0.216 0.000 0.983 309 K CA 0.172 56.324 56.287 -0.225 0.000 0.974 309 K CB 0.311 32.707 32.500 -0.173 0.000 0.913 309 K HN -0.057 nan 8.250 nan 0.000 0.493 310 Y N 1.152 121.373 120.300 -0.132 0.000 2.442 310 Y HA -0.059 4.490 4.550 -0.002 0.000 0.330 310 Y C 1.113 176.940 175.900 -0.121 0.000 1.129 310 Y CA -0.035 58.000 58.100 -0.108 0.000 1.365 310 Y CB 0.489 38.900 38.460 -0.083 0.000 1.233 310 Y HN 0.533 nan 8.280 nan 0.000 0.529 311 S N 1.370 117.125 115.700 0.092 0.000 2.593 311 S HA 0.054 4.523 4.470 -0.002 0.000 0.269 311 S C 0.828 175.438 174.600 0.017 0.000 1.334 311 S CA -0.762 57.450 58.200 0.020 0.000 1.015 311 S CB 0.947 64.149 63.200 0.004 0.000 0.912 311 S HN 0.680 nan 8.310 nan 0.000 0.541 312 D N 1.122 121.514 120.400 -0.014 0.000 2.116 312 D HA -0.130 4.509 4.640 -0.002 0.000 0.193 312 D C 1.809 178.102 176.300 -0.011 0.000 0.998 312 D CA 1.590 55.579 54.000 -0.018 0.000 0.836 312 D CB -0.446 40.341 40.800 -0.021 0.000 0.951 312 D HN 0.612 nan 8.370 nan 0.000 0.449 313 I N 1.566 122.131 120.570 -0.008 0.000 2.151 313 I HA -0.254 3.915 4.170 -0.002 0.000 0.243 313 I C 2.021 178.130 176.117 -0.014 0.000 1.080 313 I CA 1.185 62.480 61.300 -0.009 0.000 1.339 313 I CB -0.512 37.484 38.000 -0.006 0.000 1.039 313 I HN -0.134 nan 8.210 nan 0.000 0.409 314 D N 0.891 121.291 120.400 -0.000 0.000 2.126 314 D HA -0.211 4.428 4.640 -0.002 0.000 0.190 314 D C 2.334 178.570 176.300 -0.106 0.000 1.001 314 D CA 1.683 55.681 54.000 -0.004 0.000 0.841 314 D CB -0.369 40.505 40.800 0.124 0.000 0.949 314 D HN 0.352 nan 8.370 nan 0.000 0.446 315 I N 0.505 121.000 120.570 -0.125 0.000 2.163 315 I HA -0.263 3.906 4.170 -0.002 0.000 0.243 315 I C 2.462 178.534 176.117 -0.074 0.000 1.085 315 I CA 0.827 62.042 61.300 -0.140 0.000 1.347 315 I CB -0.196 37.796 38.000 -0.012 0.000 1.044 315 I HN -0.008 nan 8.210 nan 0.000 0.408 316 I N 0.252 120.799 120.570 -0.038 0.000 2.226 316 I HA -0.299 3.870 4.170 -0.002 0.000 0.245 316 I C 2.472 178.568 176.117 -0.034 0.000 1.100 316 I CA 1.394 62.679 61.300 -0.024 0.000 1.374 316 I CB -0.328 37.665 38.000 -0.012 0.000 1.057 316 I HN 0.187 nan 8.210 nan 0.000 0.413 317 L N 0.120 121.320 121.223 -0.037 0.000 1.989 317 L HA -0.258 4.081 4.340 -0.002 0.000 0.211 317 L C 2.510 179.353 176.870 -0.045 0.000 1.071 317 L CA 1.615 56.435 54.840 -0.034 0.000 0.749 317 L CB -0.588 41.456 42.059 -0.025 0.000 0.890 317 L HN 0.232 nan 8.230 nan 0.000 0.431 318 L N -0.802 120.379 121.223 -0.071 0.000 1.937 318 L HA -0.162 4.177 4.340 -0.002 0.000 0.213 318 L C 1.578 178.403 176.870 -0.075 0.000 1.077 318 L CA 1.339 56.129 54.840 -0.082 0.000 0.758 318 L CB -0.520 41.459 42.059 -0.132 0.000 0.888 318 L HN 0.104 nan 8.230 nan 0.000 0.433 370 I N 2.099 122.667 120.570 -0.004 0.000 2.692 370 I HA 0.219 4.388 4.170 -0.002 0.000 0.284 370 I C 0.713 176.841 176.117 0.018 0.000 1.159 370 I CA 0.316 61.620 61.300 0.007 0.000 1.423 370 I CB 0.847 38.860 38.000 0.022 0.000 1.380 370 I HN 0.643 nan 8.210 nan 0.000 0.580 371 S N 5.624 121.337 115.700 0.022 0.000 2.498 371 S HA 0.038 4.507 4.470 -0.002 0.000 0.314 371 S C 0.490 175.125 174.600 0.059 0.000 1.141 371 S CA -0.698 57.522 58.200 0.033 0.000 1.087 371 S CB -0.446 62.770 63.200 0.027 0.000 1.178 371 S HN 0.732 nan 8.310 nan 0.000 0.533 372 D N 2.926 123.371 120.400 0.075 0.000 1.624 372 D HA -0.266 4.373 4.640 -0.002 0.000 0.628 372 D C 0.529 176.944 176.300 0.193 0.000 0.685 372 D CA 1.398 55.475 54.000 0.129 0.000 1.695 372 D CB -0.558 40.326 40.800 0.139 0.000 0.624 372 D HN 0.720 nan 8.370 nan 0.000 0.245 373 W N 2.927 124.218 121.300 -0.015 0.000 2.251 373 W HA 0.125 4.784 4.660 -0.002 0.000 0.327 373 W C 0.262 176.776 176.519 -0.007 0.000 1.361 373 W CA -0.122 57.215 57.345 -0.013 0.000 1.234 373 W CB 0.259 29.710 29.460 -0.014 0.000 1.212 373 W HN 0.390 nan 8.180 nan 0.000 0.557 374 N N 2.624 121.089 118.700 -0.392 0.000 3.243 374 N HA 0.122 4.861 4.740 -0.002 0.000 0.280 374 N C -0.069 175.166 175.510 -0.458 0.000 1.545 374 N CA -0.780 52.092 53.050 -0.298 0.000 0.854 374 N CB 0.132 38.534 38.487 -0.142 0.000 1.612 374 N HN 0.255 nan 8.380 nan 0.000 0.577 375 L N 0.422 121.489 121.223 -0.258 0.000 2.042 375 L HA 0.049 4.388 4.340 -0.002 0.000 0.210 375 L C 2.504 179.214 176.870 -0.267 0.000 1.076 375 L CA 1.920 56.626 54.840 -0.223 0.000 0.749 375 L CB -0.692 41.294 42.059 -0.122 0.000 0.893 375 L HN 0.797 nan 8.230 nan 0.000 0.432 376 R N -0.333 120.015 120.500 -0.253 0.000 2.080 376 R HA -0.197 4.142 4.340 -0.002 0.000 0.236 376 R C 2.254 178.360 176.300 -0.324 0.000 1.137 376 R CA 2.001 57.948 56.100 -0.256 0.000 0.943 376 R CB -0.193 29.967 30.300 -0.233 0.000 0.846 376 R HN 0.381 nan 8.270 nan 0.000 0.431 377 K N -0.219 119.911 120.400 -0.449 0.000 2.148 377 K HA -0.140 4.179 4.320 -0.002 0.000 0.204 377 K C 2.320 178.493 176.600 -0.712 0.000 1.050 377 K CA 1.173 57.130 56.287 -0.550 0.000 0.942 377 K CB -0.336 31.794 32.500 -0.616 0.000 0.724 377 K HN 0.294 nan 8.250 nan 0.000 0.446 378 C N 1.099 119.866 119.300 -0.890 0.000 2.453 378 C HA -0.089 4.370 4.460 -0.002 0.000 0.277 378 C C 2.816 177.730 174.990 -0.126 0.000 1.262 378 C CA 1.173 59.886 59.018 -0.508 0.000 1.718 378 C CB -0.768 26.766 27.740 -0.343 0.000 2.031 378 C HN 0.431 nan 8.230 nan 0.000 0.480 379 S N 1.166 116.785 115.700 -0.135 0.000 2.353 379 S HA -0.153 4.316 4.470 -0.002 0.000 0.222 379 S C 2.203 176.772 174.600 -0.051 0.000 1.035 379 S CA 1.605 59.772 58.200 -0.054 0.000 1.025 379 S CB -0.767 62.381 63.200 -0.087 0.000 0.902 379 S HN 0.835 nan 8.310 nan 0.000 0.440 380 A N 1.737 124.496 122.820 -0.103 0.000 1.908 380 A HA 0.013 4.332 4.320 -0.002 0.000 0.218 380 A C 2.391 179.976 177.584 0.000 0.000 1.181 380 A CA 1.927 53.925 52.037 -0.065 0.000 0.627 380 A CB -1.205 17.724 19.000 -0.119 0.000 0.818 380 A HN 0.548 nan 8.150 nan 0.000 0.445 381 A N -0.274 122.556 122.820 0.017 0.000 1.902 381 A HA 0.175 4.494 4.320 -0.002 0.000 0.217 381 A C 2.530 180.185 177.584 0.118 0.000 1.181 381 A CA 2.140 54.244 52.037 0.113 0.000 0.623 381 A CB -1.082 18.071 19.000 0.255 0.000 0.818 381 A HN 1.079 nan 8.150 nan 0.000 0.443 382 A N -0.363 122.530 122.820 0.121 0.000 1.865 382 A HA -0.100 4.219 4.320 -0.002 0.000 0.217 382 A C 2.151 179.793 177.584 0.096 0.000 1.191 382 A CA 1.847 53.968 52.037 0.139 0.000 0.623 382 A CB -0.816 18.300 19.000 0.194 0.000 0.826 382 A HN 0.670 nan 8.150 nan 0.000 0.444 383 L N 0.555 121.813 121.223 0.057 0.000 2.013 383 L HA -0.227 4.112 4.340 -0.002 0.000 0.212 383 L C 2.199 179.105 176.870 0.060 0.000 1.073 383 L CA 2.777 57.641 54.840 0.040 0.000 0.753 383 L CB -0.673 41.393 42.059 0.012 0.000 0.890 383 L HN 0.596 nan 8.230 nan 0.000 0.432 384 D N -0.863 119.579 120.400 0.070 0.000 2.116 384 D HA -0.189 4.450 4.640 -0.002 0.000 0.193 384 D C 1.958 178.301 176.300 0.071 0.000 0.998 384 D CA 2.130 56.176 54.000 0.077 0.000 0.836 384 D CB 0.072 40.929 40.800 0.095 0.000 0.951 384 D HN 0.289 nan 8.370 nan 0.000 0.449 385 V N 1.014 120.975 119.914 0.077 0.000 2.379 385 V HA -0.180 3.939 4.120 -0.002 0.000 0.245 385 V C 2.860 178.996 176.094 0.070 0.000 1.044 385 V CA 0.931 63.271 62.300 0.067 0.000 1.036 385 V CB -0.495 31.369 31.823 0.070 0.000 0.664 385 V HN 0.217 nan 8.190 nan 0.000 0.453 386 L N 0.472 121.754 121.223 0.099 0.000 2.083 386 L HA -0.165 4.174 4.340 -0.002 0.000 0.209 386 L C 2.775 179.744 176.870 0.165 0.000 1.083 386 L CA 1.545 56.476 54.840 0.152 0.000 0.752 386 L CB -0.824 41.338 42.059 0.172 0.000 0.899 386 L HN 0.360 nan 8.230 nan 0.000 0.433 387 A N 0.069 122.956 122.820 0.112 0.000 1.940 387 A HA -0.226 4.093 4.320 -0.002 0.000 0.219 387 A C 2.015 179.643 177.584 0.074 0.000 1.176 387 A CA 1.926 54.019 52.037 0.093 0.000 0.631 387 A CB -0.601 18.436 19.000 0.061 0.000 0.814 387 A HN 0.520 nan 8.150 nan 0.000 0.446 388 N N -0.458 118.273 118.700 0.052 0.000 2.446 388 N HA -0.010 4.729 4.740 -0.002 0.000 0.179 388 N C 1.442 176.953 175.510 0.002 0.000 1.054 388 N CA 1.006 54.071 53.050 0.024 0.000 0.905 388 N CB 0.160 38.656 38.487 0.015 0.000 0.973 388 N HN 0.353 nan 8.380 nan 0.000 0.448 389 V N 0.450 120.359 119.914 -0.008 0.000 2.365 389 V HA -0.080 4.039 4.120 -0.002 0.000 0.232 389 V C 0.256 176.258 176.094 -0.154 0.000 1.065 389 V CA 0.871 63.096 62.300 -0.126 0.000 1.054 389 V CB -0.483 31.206 31.823 -0.224 0.000 0.685 389 V HN 0.086 nan 8.190 nan 0.000 0.480 390 Y N 1.328 121.643 120.300 0.025 0.000 2.496 390 Y HA 0.214 4.763 4.550 -0.002 0.000 0.334 390 Y C 1.375 177.292 175.900 0.028 0.000 1.080 390 Y CA 0.082 58.202 58.100 0.032 0.000 1.355 390 Y CB 0.147 38.632 38.460 0.043 0.000 1.193 390 Y HN 0.116 nan 8.280 nan 0.000 0.523 391 R N 1.320 121.908 120.500 0.147 0.000 1.967 391 R HA -0.033 4.306 4.340 -0.002 0.000 0.184 391 R C 0.851 177.207 176.300 0.093 0.000 1.350 391 R CA 0.618 56.773 56.100 0.093 0.000 1.232 391 R CB -0.235 30.097 30.300 0.053 0.000 0.813 391 R HN 0.586 nan 8.270 nan 0.000 0.512 392 D N 0.981 121.425 120.400 0.073 0.000 2.312 392 D HA -0.094 4.545 4.640 -0.002 0.000 0.211 392 D C 1.391 177.728 176.300 0.061 0.000 0.964 392 D CA 0.760 54.794 54.000 0.057 0.000 0.877 392 D CB -0.121 40.706 40.800 0.046 0.000 0.924 392 D HN 0.336 nan 8.370 nan 0.000 0.515 393 E N -0.076 120.185 120.200 0.102 0.000 2.472 393 E HA -0.118 4.231 4.350 -0.002 0.000 0.200 393 E C 1.624 178.288 176.600 0.107 0.000 1.046 393 E CA 0.059 56.526 56.400 0.112 0.000 0.871 393 E CB 0.086 29.900 29.700 0.190 0.000 0.806 393 E HN 0.138 nan 8.360 nan 0.000 0.533 394 L N 0.026 121.313 121.223 0.108 0.000 2.375 394 L HA 0.035 4.374 4.340 -0.002 0.000 0.215 394 L C 1.701 178.594 176.870 0.039 0.000 1.108 394 L CA 0.703 55.601 54.840 0.097 0.000 0.830 394 L CB 0.155 42.270 42.059 0.092 0.000 0.959 394 L HN 0.118 nan 8.230 nan 0.000 0.457 395 L N 0.054 121.265 121.223 -0.020 0.000 2.056 395 L HA -0.092 4.247 4.340 -0.002 0.000 0.207 395 L C -0.320 176.466 176.870 -0.141 0.000 1.078 395 L CA 0.976 55.766 54.840 -0.083 0.000 0.749 395 L CB -1.799 40.209 42.059 -0.086 0.000 0.901 395 L HN 0.223 nan 8.230 nan 0.000 0.433 396 P HA -0.167 nan 4.420 nan 0.000 0.221 396 P C 1.147 178.220 177.300 -0.378 0.000 1.145 396 P CA 1.420 64.330 63.100 -0.317 0.000 0.795 396 P CB -0.096 31.334 31.700 -0.451 0.000 0.775 397 H N -2.195 116.819 119.070 -0.093 0.000 2.547 397 H HA 0.218 4.773 4.556 -0.002 0.000 0.272 397 H C 1.833 177.104 175.328 -0.096 0.000 0.971 397 H CA 0.780 56.766 56.048 -0.103 0.000 1.245 397 H CB 0.322 30.001 29.762 -0.138 0.000 1.440 397 H HN 0.226 nan 8.280 nan 0.000 0.540 398 I N -0.272 120.292 120.570 -0.011 0.000 3.300 398 I HA -0.073 4.096 4.170 -0.002 0.000 0.279 398 I C 2.263 178.335 176.117 -0.074 0.000 1.172 398 I CA 0.171 61.446 61.300 -0.040 0.000 1.431 398 I CB -0.023 37.952 38.000 -0.042 0.000 1.240 398 I HN 0.021 nan 8.210 nan 0.000 0.453 399 L N 1.923 123.075 121.223 -0.118 0.000 1.978 399 L HA -0.205 4.134 4.340 -0.002 0.000 0.218 399 L C -0.228 176.581 176.870 -0.102 0.000 1.075 399 L CA 2.437 57.178 54.840 -0.165 0.000 0.767 399 L CB -1.789 40.113 42.059 -0.263 0.000 0.890 399 L HN 0.161 nan 8.230 nan 0.000 0.434 400 P HA -0.224 nan 4.420 nan 0.000 0.216 400 P C 1.655 178.946 177.300 -0.015 0.000 1.153 400 P CA 1.284 64.363 63.100 -0.034 0.000 0.858 400 P CB -0.004 31.677 31.700 -0.031 0.000 0.789 401 L N -1.116 120.092 121.223 -0.024 0.000 2.046 401 L HA -0.122 4.217 4.340 -0.002 0.000 0.208 401 L C 2.157 179.020 176.870 -0.012 0.000 1.077 401 L CA 1.660 56.491 54.840 -0.015 0.000 0.747 401 L CB -1.609 40.433 42.059 -0.028 0.000 0.896 401 L HN -0.135 nan 8.230 nan 0.000 0.432 402 L N 0.507 121.709 121.223 -0.034 0.000 1.971 402 L HA -0.265 4.074 4.340 -0.002 0.000 0.215 402 L C 2.617 179.481 176.870 -0.009 0.000 1.072 402 L CA 2.612 57.428 54.840 -0.039 0.000 0.758 402 L CB -1.002 41.013 42.059 -0.074 0.000 0.889 402 L HN 0.563 nan 8.230 nan 0.000 0.433 403 K N -1.133 119.282 120.400 0.025 0.000 2.283 403 K HA -0.191 4.128 4.320 -0.002 0.000 0.202 403 K C 1.947 178.674 176.600 0.212 0.000 1.048 403 K CA 1.420 57.796 56.287 0.150 0.000 0.948 403 K CB -0.513 32.093 32.500 0.177 0.000 0.742 403 K HN 0.496 nan 8.250 nan 0.000 0.458 404 E N 1.459 121.731 120.200 0.120 0.000 2.077 404 E HA -0.150 4.199 4.350 -0.002 0.000 0.193 404 E C 1.909 178.613 176.600 0.172 0.000 0.989 404 E CA 0.996 57.477 56.400 0.135 0.000 0.800 404 E CB 0.009 29.760 29.700 0.084 0.000 0.746 404 E HN 0.384 nan 8.360 nan 0.000 0.452 405 L N 0.137 121.418 121.223 0.096 0.000 2.127 405 L HA -0.075 4.264 4.340 -0.002 0.000 0.203 405 L C 2.489 179.390 176.870 0.052 0.000 1.080 405 L CA 0.404 55.280 54.840 0.060 0.000 0.768 405 L CB -0.248 41.797 42.059 -0.023 0.000 0.924 405 L HN 0.169 nan 8.230 nan 0.000 0.444 406 L N -0.901 120.291 121.223 -0.052 0.000 2.187 406 L HA -0.176 4.163 4.340 -0.002 0.000 0.213 406 L C 1.213 177.858 176.870 -0.376 0.000 1.100 406 L CA 1.374 56.060 54.840 -0.257 0.000 0.765 406 L CB -0.127 41.638 42.059 -0.490 0.000 0.904 406 L HN 0.221 nan 8.230 nan 0.000 0.437 407 F N -3.103 116.900 119.950 0.089 0.000 2.708 407 F HA 0.208 4.733 4.527 -0.002 0.000 0.300 407 F C 1.083 176.961 175.800 0.129 0.000 1.118 407 F CA -0.612 57.431 58.000 0.071 0.000 1.307 407 F CB -0.278 38.689 39.000 -0.056 0.000 0.986 407 F HN -0.012 nan 8.300 nan 0.000 0.522 408 H N 1.648 120.819 119.070 0.168 0.000 2.771 408 H HA 0.002 4.557 4.556 -0.002 0.000 0.364 408 H C 1.474 176.877 175.328 0.126 0.000 1.133 408 H CA 0.688 56.804 56.048 0.115 0.000 1.423 408 H CB 0.751 30.506 29.762 -0.011 0.000 1.425 408 H HN 0.371 nan 8.280 nan 0.000 0.606 409 H N 1.901 120.959 119.070 -0.020 0.000 2.502 409 H HA 0.098 4.653 4.556 -0.002 0.000 0.283 409 H C -0.360 175.114 175.328 0.243 0.000 1.015 409 H CA 0.149 56.257 56.048 0.100 0.000 1.298 409 H CB 0.399 30.156 29.762 -0.008 0.000 1.411 409 H HN 0.491 nan 8.280 nan 0.000 0.556 410 E N 1.758 121.999 120.200 0.068 0.000 2.200 410 E HA 0.014 4.363 4.350 -0.002 0.000 0.283 410 E C 0.841 177.477 176.600 0.060 0.000 1.015 410 E CA -0.707 55.711 56.400 0.031 0.000 0.819 410 E CB 0.845 30.463 29.700 -0.137 0.000 1.081 410 E HN 0.542 nan 8.360 nan 0.000 0.397 411 W N 3.831 125.153 121.300 0.037 0.000 2.381 411 W HA -0.164 4.495 4.660 -0.001 0.000 0.301 411 W C 0.864 177.397 176.519 0.024 0.000 1.205 411 W CA 0.599 57.968 57.345 0.040 0.000 1.285 411 W CB -0.801 28.687 29.460 0.046 0.000 1.133 411 W HN 0.264 nan 8.180 nan 0.000 0.521 412 V N 2.352 121.793 119.914 -0.789 0.000 2.324 412 V HA -0.355 3.764 4.120 -0.002 0.000 0.250 412 V C 2.646 178.552 176.094 -0.312 0.000 1.060 412 V CA 2.454 64.303 62.300 -0.751 0.000 1.042 412 V CB -1.476 29.817 31.823 -0.884 0.000 0.650 412 V HN 0.128 nan 8.190 nan 0.000 0.450 413 V N 0.087 119.801 119.914 -0.334 0.000 2.295 413 V HA -0.297 3.822 4.120 -0.002 0.000 0.246 413 V C 2.418 178.412 176.094 -0.166 0.000 1.049 413 V CA 2.468 64.567 62.300 -0.336 0.000 1.024 413 V CB -0.774 30.620 31.823 -0.715 0.000 0.648 413 V HN 0.575 nan 8.190 nan 0.000 0.447 414 K N 0.860 121.233 120.400 -0.045 0.000 2.057 414 K HA -0.260 4.059 4.320 -0.002 0.000 0.207 414 K C 2.171 178.811 176.600 0.065 0.000 1.049 414 K CA 1.929 58.249 56.287 0.055 0.000 0.931 414 K CB -0.158 32.429 32.500 0.145 0.000 0.714 414 K HN 0.619 nan 8.250 nan 0.000 0.440 415 E N 0.610 120.889 120.200 0.131 0.000 2.150 415 E HA -0.161 4.188 4.350 -0.002 0.000 0.193 415 E C 1.730 178.357 176.600 0.045 0.000 0.985 415 E CA 1.846 58.343 56.400 0.162 0.000 0.814 415 E CB -0.389 29.532 29.700 0.368 0.000 0.752 415 E HN 0.317 nan 8.360 nan 0.000 0.466 416 S N -0.167 115.507 115.700 -0.043 0.000 2.383 416 S HA -0.021 4.448 4.470 -0.002 0.000 0.227 416 S C 2.238 176.799 174.600 -0.064 0.000 1.026 416 S CA 0.923 59.053 58.200 -0.117 0.000 0.981 416 S CB -1.114 61.983 63.200 -0.171 0.000 0.818 416 S HN 0.429 nan 8.310 nan 0.000 0.472 417 G N 2.006 110.778 108.800 -0.046 0.000 2.421 417 G HA2 -0.078 3.881 3.960 -0.002 0.000 0.216 417 G HA3 -0.078 3.881 3.960 -0.002 0.000 0.216 417 G C 1.455 176.353 174.900 -0.004 0.000 1.171 417 G CA 1.014 46.094 45.100 -0.033 0.000 0.775 417 G HN 0.581 nan 8.290 nan 0.000 0.543 418 I N 0.178 120.761 120.570 0.022 0.000 2.226 418 I HA -0.141 4.028 4.170 -0.002 0.000 0.245 418 I C 2.590 178.776 176.117 0.115 0.000 1.100 418 I CA 0.643 61.976 61.300 0.056 0.000 1.374 418 I CB -0.254 37.789 38.000 0.071 0.000 1.057 418 I HN 0.184 nan 8.210 nan 0.000 0.413 419 L N 0.678 121.969 121.223 0.114 0.000 2.046 419 L HA -0.159 4.180 4.340 -0.002 0.000 0.208 419 L C 2.417 179.386 176.870 0.166 0.000 1.077 419 L CA 1.761 56.708 54.840 0.178 0.000 0.747 419 L CB -0.470 41.602 42.059 0.022 0.000 0.896 419 L HN -0.033 nan 8.230 nan 0.000 0.432 420 V N -0.297 119.655 119.914 0.063 0.000 2.392 420 V HA -0.277 3.842 4.120 -0.002 0.000 0.249 420 V C 2.494 178.625 176.094 0.061 0.000 1.059 420 V CA 1.833 64.157 62.300 0.040 0.000 1.051 420 V CB -0.783 31.036 31.823 -0.007 0.000 0.658 420 V HN 0.562 nan 8.190 nan 0.000 0.455 421 L N 1.187 122.449 121.223 0.066 0.000 2.109 421 L HA 0.090 4.429 4.340 -0.002 0.000 0.207 421 L C 2.266 179.202 176.870 0.110 0.000 1.086 421 L CA 2.271 57.161 54.840 0.084 0.000 0.760 421 L CB -1.171 40.924 42.059 0.060 0.000 0.910 421 L HN 0.227 nan 8.230 nan 0.000 0.437 422 G N -0.898 107.934 108.800 0.053 0.000 2.404 422 G HA2 -0.204 3.755 3.960 -0.002 0.000 0.215 422 G HA3 -0.204 3.755 3.960 -0.002 0.000 0.215 422 G C 1.608 176.461 174.900 -0.080 0.000 1.174 422 G CA 0.724 45.672 45.100 -0.254 0.000 0.780 422 G HN 0.604 nan 8.290 nan 0.000 0.537 423 A N 1.415 124.368 122.820 0.222 0.000 1.883 423 A HA -0.051 4.268 4.320 -0.002 0.000 0.217 423 A C 2.373 180.008 177.584 0.085 0.000 1.186 423 A CA 1.657 53.829 52.037 0.224 0.000 0.624 423 A CB -0.507 18.591 19.000 0.164 0.000 0.822 423 A HN 0.833 nan 8.150 nan 0.000 0.444 424 I N -3.466 117.132 120.570 0.046 0.000 3.564 424 I HA 0.310 4.479 4.170 -0.002 0.000 0.294 424 I C 1.974 178.085 176.117 -0.010 0.000 1.289 424 I CA 0.693 62.008 61.300 0.026 0.000 1.325 424 I CB -0.282 37.736 38.000 0.029 0.000 1.039 424 I HN 0.167 nan 8.210 nan 0.000 0.474 425 A N 1.960 124.717 122.820 -0.105 0.000 1.851 425 A HA -0.263 4.056 4.320 -0.002 0.000 0.216 425 A C 2.421 179.886 177.584 -0.198 0.000 1.195 425 A CA 2.135 53.996 52.037 -0.294 0.000 0.622 425 A CB -0.824 17.674 19.000 -0.836 0.000 0.831 425 A HN 0.635 nan 8.150 nan 0.000 0.444 426 E N -0.669 119.436 120.200 -0.158 0.000 2.070 426 E HA -0.174 4.175 4.350 -0.002 0.000 0.197 426 E C 2.056 178.628 176.600 -0.046 0.000 1.004 426 E CA 1.417 57.759 56.400 -0.096 0.000 0.805 426 E CB -0.458 29.209 29.700 -0.053 0.000 0.744 426 E HN 0.514 nan 8.360 nan 0.000 0.451 427 G N 0.128 108.917 108.800 -0.017 0.000 2.404 427 G HA2 -0.218 3.741 3.960 -0.002 0.000 0.214 427 G HA3 -0.218 3.741 3.960 -0.002 0.000 0.214 427 G C 1.355 176.266 174.900 0.017 0.000 1.189 427 G CA 0.899 46.004 45.100 0.009 0.000 0.789 427 G HN 0.423 nan 8.290 nan 0.000 0.533 428 C N 1.116 120.429 119.300 0.022 0.000 2.396 428 C HA 0.417 4.876 4.460 -0.002 0.000 0.334 428 C C 2.113 177.128 174.990 0.042 0.000 1.313 428 C CA -0.565 58.472 59.018 0.033 0.000 1.719 428 C CB -1.252 26.506 27.740 0.030 0.000 1.893 428 C HN 0.442 nan 8.230 nan 0.000 0.589 429 M N 1.909 121.529 119.600 0.033 0.000 2.126 429 M HA -0.169 4.310 4.480 -0.002 0.000 0.259 429 M C 2.333 178.661 176.300 0.046 0.000 1.073 429 M CA 2.091 57.425 55.300 0.057 0.000 1.103 429 M CB -0.652 31.962 32.600 0.023 0.000 1.284 429 M HN 0.224 nan 8.290 nan 0.000 0.420 430 Q N -0.163 119.658 119.800 0.035 0.000 2.156 430 Q HA -0.125 4.214 4.340 -0.002 0.000 0.211 430 Q C 2.011 178.029 176.000 0.030 0.000 0.995 430 Q CA 2.249 58.071 55.803 0.033 0.000 0.877 430 Q CB -1.295 27.462 28.738 0.032 0.000 0.920 430 Q HN 0.758 nan 8.270 nan 0.000 0.416 431 G N -1.407 107.417 108.800 0.039 0.000 2.511 431 G HA2 -0.147 3.812 3.960 -0.002 0.000 0.217 431 G HA3 -0.147 3.812 3.960 -0.002 0.000 0.217 431 G C 1.168 176.123 174.900 0.092 0.000 1.133 431 G CA 0.348 45.484 45.100 0.060 0.000 0.792 431 G HN 0.178 nan 8.290 nan 0.000 0.539 432 M N 0.374 120.001 119.600 0.045 0.000 2.419 432 M HA 0.245 4.724 4.480 -0.002 0.000 0.264 432 M C 2.405 178.669 176.300 -0.060 0.000 1.082 432 M CA 0.227 55.538 55.300 0.018 0.000 1.119 432 M CB -0.657 31.951 32.600 0.014 0.000 1.398 432 M HN 0.220 nan 8.290 nan 0.000 0.453 433 I N 0.870 121.356 120.570 -0.140 0.000 2.087 433 I HA -0.302 3.867 4.170 -0.002 0.000 0.240 433 I C -0.612 175.299 176.117 -0.343 0.000 1.054 433 I CA 1.879 62.961 61.300 -0.362 0.000 1.311 433 I CB -1.998 35.874 38.000 -0.212 0.000 1.024 433 I HN 0.149 nan 8.210 nan 0.000 0.402 434 P HA -0.203 nan 4.420 nan 0.000 0.219 434 P C 0.880 177.917 177.300 -0.438 0.000 1.144 434 P CA 1.669 64.586 63.100 -0.305 0.000 0.806 434 P CB -0.150 31.319 31.700 -0.386 0.000 0.771 435 Y N -2.452 117.705 120.300 -0.238 0.000 2.462 435 Y HA 0.152 4.701 4.550 -0.002 0.000 0.261 435 Y C 2.095 177.815 175.900 -0.300 0.000 1.146 435 Y CA 0.001 57.977 58.100 -0.208 0.000 1.283 435 Y CB -0.736 37.623 38.460 -0.168 0.000 1.090 435 Y HN -0.135 nan 8.280 nan 0.000 0.526 436 L N 0.482 121.451 121.223 -0.423 0.000 2.017 436 L HA -0.122 4.217 4.340 -0.002 0.000 0.208 436 L C -0.424 176.212 176.870 -0.391 0.000 1.073 436 L CA 1.078 55.489 54.840 -0.714 0.000 0.745 436 L CB -1.660 39.399 42.059 -1.667 0.000 0.894 436 L HN 0.103 nan 8.230 nan 0.000 0.432 437 P HA -0.247 nan 4.420 nan 0.000 0.218 437 P C 1.153 178.567 177.300 0.190 0.000 1.150 437 P CA 1.814 65.034 63.100 0.201 0.000 0.841 437 P CB 0.017 31.843 31.700 0.211 0.000 0.784 438 E N -1.643 118.609 120.200 0.087 0.000 2.340 438 E HA 0.032 4.381 4.350 -0.002 0.000 0.198 438 E C 1.819 178.520 176.600 0.169 0.000 0.961 438 E CA 0.140 56.620 56.400 0.135 0.000 0.905 438 E CB -0.956 28.806 29.700 0.104 0.000 0.884 438 E HN 0.137 nan 8.360 nan 0.000 0.491 439 L N 0.662 121.933 121.223 0.079 0.000 2.095 439 L HA -0.023 4.316 4.340 -0.002 0.000 0.204 439 L C 2.392 179.298 176.870 0.059 0.000 1.080 439 L CA 0.308 55.191 54.840 0.072 0.000 0.759 439 L CB -0.238 41.781 42.059 -0.067 0.000 0.914 439 L HN 0.217 nan 8.230 nan 0.000 0.439 440 I N 0.566 121.128 120.570 -0.013 0.000 2.076 440 I HA -0.204 3.965 4.170 -0.002 0.000 0.237 440 I C -0.012 176.200 176.117 0.158 0.000 1.059 440 I CA 2.007 63.334 61.300 0.044 0.000 1.317 440 I CB -2.510 35.507 38.000 0.028 0.000 1.037 440 I HN 0.130 nan 8.210 nan 0.000 0.398 441 P HA -0.213 nan 4.420 nan 0.000 0.217 441 P C 1.862 179.281 177.300 0.198 0.000 1.151 441 P CA 1.648 64.891 63.100 0.238 0.000 0.849 441 P CB -0.376 31.479 31.700 0.258 0.000 0.787 442 H N -0.356 118.793 119.070 0.131 0.000 2.357 442 H HA -0.063 4.492 4.556 -0.002 0.000 0.301 442 H C 1.873 177.234 175.328 0.055 0.000 1.082 442 H CA 1.154 57.273 56.048 0.119 0.000 1.342 442 H CB -0.503 29.351 29.762 0.153 0.000 1.389 442 H HN 0.048 nan 8.280 nan 0.000 0.511 443 L N 0.670 121.829 121.223 -0.108 0.000 1.989 443 L HA -0.228 4.111 4.340 -0.002 0.000 0.211 443 L C 2.853 179.676 176.870 -0.079 0.000 1.071 443 L CA 1.259 56.015 54.840 -0.140 0.000 0.749 443 L CB -0.428 41.610 42.059 -0.034 0.000 0.890 443 L HN 0.305 nan 8.230 nan 0.000 0.431 444 I N -0.685 119.890 120.570 0.009 0.000 2.315 444 I HA -0.314 3.855 4.170 -0.002 0.000 0.251 444 I C 2.650 178.777 176.117 0.017 0.000 1.125 444 I CA 1.003 62.327 61.300 0.039 0.000 1.392 444 I CB -0.455 37.599 38.000 0.090 0.000 1.065 444 I HN 0.443 nan 8.210 nan 0.000 0.424 445 Q N 0.318 120.115 119.800 -0.006 0.000 2.049 445 Q HA -0.140 4.199 4.340 -0.002 0.000 0.198 445 Q C 2.538 178.511 176.000 -0.044 0.000 0.971 445 Q CA 1.594 57.394 55.803 -0.006 0.000 0.833 445 Q CB -0.699 28.059 28.738 0.033 0.000 0.896 445 Q HN 0.573 nan 8.270 nan 0.000 0.434 446 C N 0.708 119.929 119.300 -0.132 0.000 2.410 446 C HA -0.106 4.353 4.460 -0.002 0.000 0.281 446 C C 2.581 177.547 174.990 -0.041 0.000 1.318 446 C CA 0.062 59.015 59.018 -0.108 0.000 1.776 446 C CB -1.246 26.387 27.740 -0.178 0.000 1.942 446 C HN 0.367 nan 8.230 nan 0.000 0.508 447 L N 2.044 123.252 121.223 -0.024 0.000 2.270 447 L HA -0.128 4.211 4.340 -0.002 0.000 0.217 447 L C 2.061 178.934 176.870 0.005 0.000 1.107 447 L CA 2.152 56.996 54.840 0.006 0.000 0.772 447 L CB -0.542 41.531 42.059 0.023 0.000 0.902 447 L HN 0.506 nan 8.230 nan 0.000 0.439 448 S N -2.774 112.926 115.700 -0.000 0.000 2.711 448 S HA 0.170 4.639 4.470 -0.002 0.000 0.247 448 S C 0.318 174.914 174.600 -0.006 0.000 1.079 448 S CA -0.804 57.396 58.200 -0.001 0.000 1.050 448 S CB -0.269 62.935 63.200 0.007 0.000 0.885 448 S HN 0.340 nan 8.310 nan 0.000 0.498 449 D N 2.780 123.173 120.400 -0.012 0.000 2.400 449 D HA 0.019 4.658 4.640 -0.002 0.000 0.238 449 D C 1.161 177.438 176.300 -0.039 0.000 1.157 449 D CA 0.195 54.186 54.000 -0.015 0.000 0.889 449 D CB 1.032 41.825 40.800 -0.012 0.000 1.199 449 D HN 0.473 nan 8.370 nan 0.000 0.436 450 K N 2.168 122.541 120.400 -0.045 0.000 2.148 450 K HA -0.042 4.277 4.320 -0.002 0.000 0.204 450 K C 0.550 177.068 176.600 -0.136 0.000 1.050 450 K CA 0.578 56.823 56.287 -0.070 0.000 0.942 450 K CB 0.079 32.548 32.500 -0.051 0.000 0.724 450 K HN 0.084 nan 8.250 nan 0.000 0.446 451 K N 1.542 121.818 120.400 -0.207 0.000 2.338 451 K HA 0.154 4.473 4.320 -0.002 0.000 0.290 451 K C 0.881 177.302 176.600 -0.299 0.000 1.069 451 K CA 0.350 56.403 56.287 -0.390 0.000 0.941 451 K CB 1.276 33.353 32.500 -0.704 0.000 1.023 451 K HN 0.249 nan 8.250 nan 0.000 0.477 452 A N 4.411 127.074 122.820 -0.262 0.000 1.927 452 A HA -0.190 4.129 4.320 -0.002 0.000 0.220 452 A C 1.936 179.438 177.584 -0.137 0.000 1.185 452 A CA 1.505 53.443 52.037 -0.165 0.000 0.639 452 A CB -0.426 18.489 19.000 -0.142 0.000 0.820 452 A HN 0.717 nan 8.150 nan 0.000 0.451 453 L N -0.497 120.603 121.223 -0.204 0.000 2.362 453 L HA -0.111 4.228 4.340 -0.002 0.000 0.219 453 L C 2.200 179.108 176.870 0.063 0.000 1.134 453 L CA 0.426 55.231 54.840 -0.058 0.000 0.807 453 L CB -0.222 41.809 42.059 -0.047 0.000 0.927 453 L HN 0.275 nan 8.230 nan 0.000 0.447 454 V N -0.784 119.127 119.914 -0.005 0.000 2.535 454 V HA -0.142 3.977 4.120 -0.002 0.000 0.246 454 V C 2.478 178.599 176.094 0.045 0.000 1.045 454 V CA 1.194 63.535 62.300 0.069 0.000 1.058 454 V CB -0.460 31.398 31.823 0.057 0.000 0.689 454 V HN 0.372 nan 8.190 nan 0.000 0.461 455 R N 0.116 120.619 120.500 0.004 0.000 2.081 455 R HA -0.138 4.201 4.340 -0.002 0.000 0.235 455 R C 2.664 178.995 176.300 0.051 0.000 1.131 455 R CA 1.733 57.843 56.100 0.016 0.000 0.960 455 R CB -0.516 29.780 30.300 -0.007 0.000 0.856 455 R HN 0.413 nan 8.270 nan 0.000 0.436 456 S N 0.920 116.652 115.700 0.054 0.000 2.351 456 S HA -0.166 4.303 4.470 -0.002 0.000 0.220 456 S C 1.851 176.539 174.600 0.147 0.000 1.035 456 S CA 1.321 59.572 58.200 0.085 0.000 1.031 456 S CB -0.244 62.996 63.200 0.066 0.000 0.928 456 S HN 0.170 nan 8.310 nan 0.000 0.433 457 I N 1.662 122.330 120.570 0.163 0.000 2.394 457 I HA -0.133 4.036 4.170 -0.002 0.000 0.251 457 I C 2.109 178.378 176.117 0.254 0.000 1.136 457 I CA 1.453 62.893 61.300 0.234 0.000 1.425 457 I CB -0.885 37.238 38.000 0.205 0.000 1.079 457 I HN 0.249 nan 8.210 nan 0.000 0.425 458 T N -0.420 114.226 114.554 0.154 0.000 2.737 458 T HA -0.201 4.148 4.350 -0.002 0.000 0.265 458 T C 2.124 176.889 174.700 0.110 0.000 1.038 458 T CA 1.685 63.846 62.100 0.102 0.000 1.144 458 T CB -0.899 67.997 68.868 0.046 0.000 0.866 458 T HN 0.408 nan 8.240 nan 0.000 0.434 459 C N 0.326 119.703 119.300 0.128 0.000 2.367 459 C HA -0.160 4.299 4.460 -0.002 0.000 0.276 459 C C 2.419 177.505 174.990 0.159 0.000 1.195 459 C CA 0.479 59.578 59.018 0.136 0.000 1.756 459 C CB -1.429 26.397 27.740 0.144 0.000 2.046 459 C HN 0.812 nan 8.230 nan 0.000 0.453 460 W N 1.477 122.806 121.300 0.048 0.000 2.354 460 W HA -0.149 4.510 4.660 -0.002 0.000 0.315 460 W C 2.473 179.016 176.519 0.039 0.000 1.206 460 W CA 2.296 59.665 57.345 0.039 0.000 1.290 460 W CB -0.921 28.557 29.460 0.030 0.000 1.152 460 W HN 0.218 nan 8.180 nan 0.000 0.489 461 T N 1.876 116.337 114.554 -0.155 0.000 2.665 461 T HA -0.282 4.067 4.350 -0.002 0.000 0.268 461 T C 1.939 176.507 174.700 -0.220 0.000 1.035 461 T CA 2.178 64.051 62.100 -0.378 0.000 1.151 461 T CB -0.763 68.088 68.868 -0.028 0.000 0.862 461 T HN 0.162 nan 8.240 nan 0.000 0.438 462 L N 1.346 122.541 121.223 -0.048 0.000 2.043 462 L HA -0.178 4.161 4.340 -0.002 0.000 0.212 462 L C 2.886 179.747 176.870 -0.015 0.000 1.075 462 L CA 1.700 56.561 54.840 0.035 0.000 0.752 462 L CB -0.657 41.435 42.059 0.055 0.000 0.891 462 L HN 0.405 nan 8.230 nan 0.000 0.432 463 S N -0.609 115.027 115.700 -0.107 0.000 2.419 463 S HA -0.172 4.297 4.470 -0.002 0.000 0.233 463 S C 2.041 176.511 174.600 -0.216 0.000 1.016 463 S CA 0.605 58.734 58.200 -0.118 0.000 0.974 463 S CB -0.351 62.800 63.200 -0.083 0.000 0.786 463 S HN 0.335 nan 8.310 nan 0.000 0.492 464 R N -0.044 120.198 120.500 -0.431 0.000 2.189 464 R HA 0.051 4.390 4.340 -0.002 0.000 0.223 464 R C 0.622 176.588 176.300 -0.556 0.000 1.092 464 R CA 0.993 56.740 56.100 -0.589 0.000 0.989 464 R CB -0.537 29.208 30.300 -0.926 0.000 0.876 464 R HN 0.667 nan 8.270 nan 0.000 0.457 465 Y N -0.745 119.488 120.300 -0.112 0.000 2.555 465 Y HA 0.273 4.822 4.550 -0.002 0.000 0.259 465 Y C 1.902 177.851 175.900 0.083 0.000 1.179 465 Y CA -0.046 58.052 58.100 -0.003 0.000 1.230 465 Y CB 0.164 38.612 38.460 -0.020 0.000 1.146 465 Y HN -0.021 nan 8.280 nan 0.000 0.526 466 A N 0.527 123.418 122.820 0.120 0.000 1.894 466 A HA -0.355 3.964 4.320 -0.002 0.000 0.220 466 A C 2.165 179.818 177.584 0.115 0.000 1.237 466 A CA 2.499 54.585 52.037 0.083 0.000 0.660 466 A CB -1.124 17.884 19.000 0.014 0.000 0.835 466 A HN 0.639 nan 8.150 nan 0.000 0.461 467 H N -2.465 116.643 119.070 0.064 0.000 2.319 467 H HA -0.252 4.303 4.556 -0.001 0.000 0.297 467 H C 2.068 177.462 175.328 0.110 0.000 1.097 467 H CA 2.572 58.659 56.048 0.065 0.000 1.285 467 H CB -0.417 29.382 29.762 0.062 0.000 1.368 467 H HN 0.737 nan 8.280 nan 0.000 0.495 468 W N 1.370 122.726 121.300 0.092 0.000 2.378 468 W HA -0.175 4.484 4.660 -0.001 0.000 0.313 468 W C 2.581 179.067 176.519 -0.055 0.000 1.197 468 W CA 1.931 59.288 57.345 0.021 0.000 1.304 468 W CB -0.727 28.765 29.460 0.053 0.000 1.148 468 W HN -0.034 nan 8.180 nan 0.000 0.494 469 V N 0.624 120.553 119.914 0.024 0.000 2.278 469 V HA -0.395 3.724 4.120 -0.002 0.000 0.251 469 V C 2.147 178.101 176.094 -0.233 0.000 1.062 469 V CA 2.234 64.437 62.300 -0.162 0.000 1.038 469 V CB -1.519 30.333 31.823 0.048 0.000 0.646 469 V HN 0.167 nan 8.190 nan 0.000 0.447 470 V N 0.931 120.732 119.914 -0.188 0.000 2.392 470 V HA -0.239 3.880 4.120 -0.002 0.000 0.249 470 V C 2.643 178.572 176.094 -0.274 0.000 1.059 470 V CA 2.243 64.415 62.300 -0.212 0.000 1.051 470 V CB -0.964 30.737 31.823 -0.202 0.000 0.658 470 V HN 0.788 nan 8.190 nan 0.000 0.455 471 S N -1.128 114.350 115.700 -0.369 0.000 2.447 471 S HA -0.082 4.387 4.470 -0.002 0.000 0.233 471 S C 1.104 175.511 174.600 -0.322 0.000 1.006 471 S CA 0.404 58.401 58.200 -0.340 0.000 0.957 471 S CB -0.263 62.745 63.200 -0.319 0.000 0.773 471 S HN 0.603 nan 8.310 nan 0.000 0.507 472 Q N 2.416 121.959 119.800 -0.429 0.000 2.312 472 Q HA 0.411 4.750 4.340 -0.002 0.000 0.236 472 Q C -2.570 173.320 176.000 -0.183 0.000 0.965 472 Q CA -2.410 53.205 55.803 -0.313 0.000 0.894 472 Q CB -0.323 28.209 28.738 -0.344 0.000 1.225 472 Q HN 0.264 nan 8.270 nan 0.000 0.478 473 P HA 0.029 nan 4.420 nan 0.000 0.264 473 P C -2.086 175.137 177.300 -0.128 0.000 1.193 473 P CA -0.948 62.084 63.100 -0.115 0.000 0.763 473 P CB 0.064 31.705 31.700 -0.099 0.000 0.810 474 P HA -0.168 nan 4.420 nan 0.000 0.218 474 P C 1.009 178.235 177.300 -0.125 0.000 1.146 474 P CA 1.416 64.449 63.100 -0.112 0.000 0.813 474 P CB 0.030 31.683 31.700 -0.079 0.000 0.778 475 D N -1.813 118.514 120.400 -0.122 0.000 2.277 475 D HA -0.038 4.601 4.640 -0.002 0.000 0.208 475 D C 1.436 177.619 176.300 -0.195 0.000 0.962 475 D CA 1.177 55.102 54.000 -0.124 0.000 0.865 475 D CB 0.088 40.832 40.800 -0.093 0.000 0.939 475 D HN 0.242 nan 8.370 nan 0.000 0.510 476 T N -0.882 113.484 114.554 -0.312 0.000 2.901 476 T HA -0.028 4.321 4.350 -0.002 0.000 0.252 476 T C 1.502 175.786 174.700 -0.693 0.000 1.035 476 T CA 0.850 62.584 62.100 -0.611 0.000 1.142 476 T CB -0.049 68.250 68.868 -0.948 0.000 0.869 476 T HN 0.223 nan 8.240 nan 0.000 0.442 477 Y N -0.594 119.655 120.300 -0.084 0.000 2.769 477 Y HA 0.408 4.958 4.550 -0.001 0.000 0.266 477 Y C 1.918 177.777 175.900 -0.067 0.000 1.091 477 Y CA -0.721 57.345 58.100 -0.057 0.000 1.272 477 Y CB -0.478 37.934 38.460 -0.080 0.000 1.469 477 Y HN -0.049 nan 8.280 nan 0.000 0.475 478 L N 1.519 122.758 121.223 0.028 0.000 1.997 478 L HA -0.245 4.094 4.340 -0.002 0.000 0.216 478 L C 1.849 178.675 176.870 -0.075 0.000 1.074 478 L CA 2.107 56.919 54.840 -0.047 0.000 0.763 478 L CB -0.529 41.461 42.059 -0.116 0.000 0.890 478 L HN 0.091 nan 8.230 nan 0.000 0.434 479 K N -0.802 119.529 120.400 -0.116 0.000 2.031 479 K HA -0.063 4.256 4.320 -0.002 0.000 0.205 479 K C -0.255 176.321 176.600 -0.039 0.000 1.049 479 K CA 1.596 57.798 56.287 -0.140 0.000 0.939 479 K CB -1.239 31.164 32.500 -0.162 0.000 0.717 479 K HN 0.346 nan 8.250 nan 0.000 0.438 480 P HA -0.178 nan 4.420 nan 0.000 0.216 480 P C 1.215 178.552 177.300 0.062 0.000 1.150 480 P CA 0.924 64.040 63.100 0.027 0.000 0.837 480 P CB 0.125 31.842 31.700 0.029 0.000 0.786 481 L N -1.311 119.956 121.223 0.073 0.000 2.027 481 L HA -0.065 4.274 4.340 -0.002 0.000 0.206 481 L C 2.428 179.376 176.870 0.131 0.000 1.074 481 L CA 1.740 56.639 54.840 0.099 0.000 0.745 481 L CB -1.107 41.012 42.059 0.101 0.000 0.898 481 L HN -0.131 nan 8.230 nan 0.000 0.433 482 M N -1.271 118.407 119.600 0.130 0.000 2.065 482 M HA -0.262 4.217 4.480 -0.002 0.000 0.259 482 M C 2.065 178.490 176.300 0.209 0.000 1.069 482 M CA 2.558 58.008 55.300 0.250 0.000 1.110 482 M CB -0.412 32.290 32.600 0.171 0.000 1.328 482 M HN 0.338 nan 8.290 nan 0.000 0.405 483 T N 0.870 115.526 114.554 0.170 0.000 2.635 483 T HA -0.168 4.181 4.350 -0.002 0.000 0.267 483 T C 1.647 176.403 174.700 0.093 0.000 1.040 483 T CA 1.792 64.000 62.100 0.181 0.000 1.156 483 T CB -0.362 68.596 68.868 0.150 0.000 0.863 483 T HN 0.443 nan 8.240 nan 0.000 0.430 484 E N 0.592 120.841 120.200 0.081 0.000 2.106 484 E HA 0.002 4.351 4.350 -0.002 0.000 0.192 484 E C 2.225 178.852 176.600 0.044 0.000 0.984 484 E CA 0.497 56.930 56.400 0.055 0.000 0.806 484 E CB -0.454 29.281 29.700 0.058 0.000 0.750 484 E HN 0.273 nan 8.360 nan 0.000 0.458 485 L N 0.570 121.839 121.223 0.075 0.000 2.027 485 L HA -0.114 4.225 4.340 -0.002 0.000 0.206 485 L C 2.393 179.238 176.870 -0.042 0.000 1.074 485 L CA 1.251 56.140 54.840 0.081 0.000 0.745 485 L CB -0.764 41.440 42.059 0.241 0.000 0.898 485 L HN 0.098 nan 8.230 nan 0.000 0.433 486 L N -1.031 120.102 121.223 -0.150 0.000 2.187 486 L HA -0.261 4.078 4.340 -0.002 0.000 0.213 486 L C 2.428 179.195 176.870 -0.172 0.000 1.100 486 L CA 1.202 55.864 54.840 -0.298 0.000 0.765 486 L CB -0.497 41.332 42.059 -0.384 0.000 0.904 486 L HN 0.260 nan 8.230 nan 0.000 0.437 487 K N -0.657 119.689 120.400 -0.089 0.000 2.103 487 K HA -0.072 4.247 4.320 -0.002 0.000 0.204 487 K C 2.252 178.837 176.600 -0.026 0.000 1.052 487 K CA 0.680 56.934 56.287 -0.055 0.000 0.945 487 K CB -0.004 32.483 32.500 -0.023 0.000 0.722 487 K HN 0.191 nan 8.250 nan 0.000 0.443 488 R N 0.932 121.425 120.500 -0.012 0.000 2.090 488 R HA 0.007 4.346 4.340 -0.002 0.000 0.228 488 R C 2.184 178.503 176.300 0.031 0.000 1.110 488 R CA 0.885 56.994 56.100 0.015 0.000 0.973 488 R CB -0.567 29.751 30.300 0.031 0.000 0.869 488 R HN 0.263 nan 8.270 nan 0.000 0.440 489 I N 1.121 121.694 120.570 0.004 0.000 2.502 489 I HA -0.254 3.915 4.170 -0.002 0.000 0.258 489 I C 1.482 177.664 176.117 0.108 0.000 1.172 489 I CA 1.266 62.590 61.300 0.041 0.000 1.430 489 I CB -0.089 37.852 38.000 -0.098 0.000 1.086 489 I HN 0.066 nan 8.210 nan 0.000 0.440 490 L N -0.695 120.567 121.223 0.065 0.000 2.857 490 L HA 0.179 4.518 4.340 -0.002 0.000 0.249 490 L C 0.722 177.651 176.870 0.099 0.000 1.172 490 L CA -0.312 54.597 54.840 0.114 0.000 0.980 490 L CB -0.191 41.924 42.059 0.094 0.000 1.299 490 L HN 0.136 nan 8.230 nan 0.000 0.535 491 D N 1.039 121.481 120.400 0.071 0.000 2.406 491 D HA -0.095 4.544 4.640 -0.002 0.000 0.234 491 D C 1.097 177.421 176.300 0.040 0.000 1.196 491 D CA 0.527 54.550 54.000 0.039 0.000 0.881 491 D CB 1.277 42.090 40.800 0.021 0.000 1.205 491 D HN 0.186 nan 8.370 nan 0.000 0.453 492 S N 1.817 117.528 115.700 0.018 0.000 2.603 492 S HA -0.037 4.432 4.470 -0.002 0.000 0.220 492 S C 0.632 175.223 174.600 -0.015 0.000 0.967 492 S CA -0.428 57.778 58.200 0.010 0.000 0.920 492 S CB 0.065 63.268 63.200 0.005 0.000 0.773 492 S HN 0.436 nan 8.310 nan 0.000 0.529 493 N N 1.638 120.323 118.700 -0.025 0.000 2.417 493 N HA 0.213 4.952 4.740 -0.002 0.000 0.274 493 N C 0.577 176.048 175.510 -0.066 0.000 0.987 493 N CA -0.436 52.586 53.050 -0.047 0.000 0.912 493 N CB 1.358 39.815 38.487 -0.051 0.000 1.177 493 N HN 0.073 nan 8.380 nan 0.000 0.490 494 K N 3.414 123.760 120.400 -0.090 0.000 2.148 494 K HA -0.132 4.187 4.320 -0.002 0.000 0.204 494 K C 1.579 178.102 176.600 -0.127 0.000 1.050 494 K CA 0.694 56.894 56.287 -0.144 0.000 0.942 494 K CB 0.078 32.487 32.500 -0.150 0.000 0.724 494 K HN 0.532 nan 8.250 nan 0.000 0.446 495 R N 1.444 121.893 120.500 -0.086 0.000 2.092 495 R HA -0.069 4.270 4.340 -0.002 0.000 0.231 495 R C 2.156 178.432 176.300 -0.040 0.000 1.119 495 R CA 0.877 56.939 56.100 -0.062 0.000 0.970 495 R CB -0.063 30.206 30.300 -0.051 0.000 0.864 495 R HN -0.024 nan 8.270 nan 0.000 0.440 496 V N 1.041 120.933 119.914 -0.036 0.000 2.307 496 V HA -0.231 3.888 4.120 -0.002 0.000 0.245 496 V C 2.247 178.342 176.094 0.002 0.000 1.045 496 V CA 1.823 64.118 62.300 -0.008 0.000 1.024 496 V CB -0.570 31.247 31.823 -0.009 0.000 0.651 496 V HN 0.427 nan 8.190 nan 0.000 0.449 497 Q N -0.025 119.759 119.800 -0.027 0.000 2.077 497 Q HA -0.304 4.035 4.340 -0.002 0.000 0.206 497 Q C 2.285 178.281 176.000 -0.008 0.000 0.989 497 Q CA 2.243 58.041 55.803 -0.007 0.000 0.853 497 Q CB -0.271 28.378 28.738 -0.149 0.000 0.907 497 Q HN 0.681 nan 8.270 nan 0.000 0.418 498 E N 0.366 120.518 120.200 -0.081 0.000 2.033 498 E HA -0.267 4.082 4.350 -0.002 0.000 0.199 498 E C 2.008 178.627 176.600 0.032 0.000 1.011 498 E CA 1.262 57.635 56.400 -0.045 0.000 0.815 498 E CB -0.216 29.445 29.700 -0.066 0.000 0.755 498 E HN 0.410 nan 8.360 nan 0.000 0.451 499 A N 1.050 123.896 122.820 0.043 0.000 1.892 499 A HA -0.258 4.061 4.320 -0.002 0.000 0.218 499 A C 2.348 180.007 177.584 0.125 0.000 1.188 499 A CA 2.268 54.363 52.037 0.097 0.000 0.631 499 A CB -0.970 18.089 19.000 0.099 0.000 0.822 499 A HN 0.373 nan 8.150 nan 0.000 0.447 500 A N -1.147 121.736 122.820 0.104 0.000 1.845 500 A HA -0.190 4.129 4.320 -0.002 0.000 0.215 500 A C 2.362 180.037 177.584 0.151 0.000 1.195 500 A CA 1.694 53.801 52.037 0.118 0.000 0.616 500 A CB -1.431 17.619 19.000 0.083 0.000 0.832 500 A HN 0.617 nan 8.150 nan 0.000 0.443 501 C N -1.022 118.359 119.300 0.135 0.000 2.401 501 C HA -0.098 4.361 4.460 -0.002 0.000 0.276 501 C C 3.388 178.481 174.990 0.172 0.000 1.233 501 C CA 1.650 60.759 59.018 0.152 0.000 1.753 501 C CB -1.085 26.740 27.740 0.141 0.000 2.029 501 C HN 0.712 nan 8.230 nan 0.000 0.478 502 S N 0.173 115.958 115.700 0.142 0.000 2.368 502 S HA -0.070 4.399 4.470 -0.002 0.000 0.224 502 S C 2.031 176.722 174.600 0.151 0.000 1.029 502 S CA 1.553 59.836 58.200 0.138 0.000 0.988 502 S CB -0.316 62.962 63.200 0.129 0.000 0.838 502 S HN 0.605 nan 8.310 nan 0.000 0.462 503 A N 0.468 123.389 122.820 0.168 0.000 1.902 503 A HA 0.008 4.327 4.320 -0.002 0.000 0.217 503 A C 1.984 179.649 177.584 0.136 0.000 1.181 503 A CA 1.542 53.665 52.037 0.143 0.000 0.623 503 A CB -1.121 17.967 19.000 0.147 0.000 0.818 503 A HN 0.644 nan 8.150 nan 0.000 0.443 504 F N 0.743 120.719 119.950 0.042 0.000 2.216 504 F HA -0.034 4.492 4.527 -0.002 0.000 0.300 504 F C 2.528 178.345 175.800 0.028 0.000 1.085 504 F CA 0.868 58.884 58.000 0.027 0.000 1.326 504 F CB -0.261 38.751 39.000 0.019 0.000 1.027 504 F HN 0.256 nan 8.300 nan 0.000 0.497 505 A N -0.734 122.168 122.820 0.136 0.000 1.902 505 A HA -0.184 4.135 4.320 -0.002 0.000 0.217 505 A C 2.209 179.783 177.584 -0.017 0.000 1.181 505 A CA 2.280 54.354 52.037 0.062 0.000 0.623 505 A CB -1.370 17.692 19.000 0.103 0.000 0.818 505 A HN 0.386 nan 8.150 nan 0.000 0.443 506 T N 0.055 114.608 114.554 -0.002 0.000 2.746 506 T HA -0.139 4.210 4.350 -0.002 0.000 0.267 506 T C 1.830 176.480 174.700 -0.083 0.000 1.039 506 T CA 1.533 63.621 62.100 -0.021 0.000 1.142 506 T CB -0.362 68.507 68.868 0.001 0.000 0.866 506 T HN 0.312 nan 8.240 nan 0.000 0.444 507 L N 1.340 122.469 121.223 -0.157 0.000 2.046 507 L HA -0.042 4.297 4.340 -0.002 0.000 0.208 507 L C 2.273 178.962 176.870 -0.302 0.000 1.077 507 L CA 1.779 56.474 54.840 -0.243 0.000 0.747 507 L CB -0.605 41.247 42.059 -0.346 0.000 0.896 507 L HN 0.260 nan 8.230 nan 0.000 0.432 508 E N -0.618 119.350 120.200 -0.386 0.000 2.051 508 E HA -0.290 4.059 4.350 -0.002 0.000 0.192 508 E C 2.076 178.595 176.600 -0.135 0.000 0.991 508 E CA 1.426 57.657 56.400 -0.280 0.000 0.799 508 E CB -0.179 29.392 29.700 -0.215 0.000 0.748 508 E HN 0.614 nan 8.360 nan 0.000 0.449 509 E N 0.693 120.837 120.200 -0.092 0.000 2.058 509 E HA -0.269 4.080 4.350 -0.002 0.000 0.194 509 E C 1.896 178.475 176.600 -0.034 0.000 0.997 509 E CA 1.326 57.702 56.400 -0.040 0.000 0.801 509 E CB 0.105 29.794 29.700 -0.017 0.000 0.746 509 E HN 0.037 nan 8.360 nan 0.000 0.450 510 E N -0.494 119.678 120.200 -0.046 0.000 2.285 510 E HA 0.064 4.413 4.350 -0.002 0.000 0.194 510 E C -0.614 175.951 176.600 -0.058 0.000 0.997 510 E CA 0.735 57.122 56.400 -0.022 0.000 0.845 510 E CB 0.500 30.196 29.700 -0.007 0.000 0.782 510 E HN 0.234 nan 8.360 nan 0.000 0.491 511 A N -0.303 122.461 122.820 -0.094 0.000 2.709 511 A HA 0.355 4.674 4.320 -0.002 0.000 0.332 511 A C 0.433 177.961 177.584 -0.093 0.000 1.241 511 A CA -0.687 51.286 52.037 -0.106 0.000 0.782 511 A CB -0.180 18.738 19.000 -0.137 0.000 1.109 511 A HN 0.272 nan 8.150 nan 0.000 0.472 512 C N 0.221 119.483 119.300 -0.063 0.000 7.537 512 C HA -0.003 4.456 4.460 -0.002 0.000 0.274 512 C C 2.737 177.695 174.990 -0.053 0.000 1.318 512 C CA 1.565 60.556 59.018 -0.046 0.000 1.943 512 C CB -0.958 26.771 27.740 -0.018 0.000 1.883 512 C HN 0.789 nan 8.230 nan 0.000 0.359 513 T N 0.785 115.307 114.554 -0.052 0.000 2.751 513 T HA -0.243 4.106 4.350 -0.002 0.000 0.268 513 T C 1.473 176.113 174.700 -0.100 0.000 1.045 513 T CA 1.989 64.025 62.100 -0.108 0.000 1.142 513 T CB -0.502 68.319 68.868 -0.079 0.000 0.851 513 T HN 0.500 nan 8.240 nan 0.000 0.474 514 E N 0.612 120.773 120.200 -0.065 0.000 2.273 514 E HA -0.065 4.284 4.350 -0.002 0.000 0.198 514 E C 1.702 178.299 176.600 -0.005 0.000 1.002 514 E CA 0.769 57.141 56.400 -0.046 0.000 0.828 514 E CB -0.374 29.282 29.700 -0.075 0.000 0.747 514 E HN 0.529 nan 8.360 nan 0.000 0.491 515 L N -1.285 119.932 121.223 -0.010 0.000 2.585 515 L HA 0.036 4.375 4.340 -0.002 0.000 0.226 515 L C 1.903 178.861 176.870 0.148 0.000 1.113 515 L CA -0.146 54.735 54.840 0.068 0.000 0.876 515 L CB 0.133 42.195 42.059 0.005 0.000 1.072 515 L HN -0.003 nan 8.230 nan 0.000 0.468 516 V N 1.260 121.180 119.914 0.010 0.000 2.277 516 V HA -0.223 3.896 4.120 -0.002 0.000 0.253 516 V C -0.394 175.698 176.094 -0.003 0.000 1.067 516 V CA 2.165 64.425 62.300 -0.068 0.000 1.047 516 V CB -1.479 30.160 31.823 -0.307 0.000 0.649 516 V HN 0.400 nan 8.190 nan 0.000 0.447 517 P HA -0.071 nan 4.420 nan 0.000 0.239 517 P C 0.325 177.343 177.300 -0.469 0.000 1.184 517 P CA 1.262 64.216 63.100 -0.243 0.000 0.760 517 P CB -0.253 31.214 31.700 -0.388 0.000 0.884 518 Y N -3.261 117.047 120.300 0.014 0.000 2.626 518 Y HA 0.181 4.731 4.550 -0.001 0.000 0.248 518 Y C 1.686 177.636 175.900 0.083 0.000 1.147 518 Y CA -0.560 57.584 58.100 0.073 0.000 1.219 518 Y CB -0.226 38.298 38.460 0.106 0.000 1.279 518 Y HN -0.240 nan 8.280 nan 0.000 0.541 519 L N 0.928 122.183 121.223 0.053 0.000 2.013 519 L HA -0.271 4.068 4.340 -0.002 0.000 0.212 519 L C 2.502 179.266 176.870 -0.175 0.000 1.073 519 L CA 2.281 57.010 54.840 -0.186 0.000 0.753 519 L CB -1.083 40.614 42.059 -0.603 0.000 0.890 519 L HN 0.328 nan 8.230 nan 0.000 0.432 520 A N -2.226 120.587 122.820 -0.012 0.000 1.972 520 A HA -0.276 4.043 4.320 -0.002 0.000 0.219 520 A C 2.280 179.957 177.584 0.155 0.000 1.169 520 A CA 1.641 53.769 52.037 0.152 0.000 0.635 520 A CB -0.895 18.274 19.000 0.282 0.000 0.810 520 A HN 0.521 nan 8.150 nan 0.000 0.446 521 Y N 0.207 120.533 120.300 0.043 0.000 2.220 521 Y HA -0.071 4.479 4.550 -0.001 0.000 0.291 521 Y C 1.934 177.848 175.900 0.023 0.000 1.129 521 Y CA 1.426 59.555 58.100 0.048 0.000 1.161 521 Y CB -0.245 38.276 38.460 0.102 0.000 0.997 521 Y HN 0.251 nan 8.280 nan 0.000 0.522 522 I N -0.367 120.240 120.570 0.062 0.000 2.113 522 I HA -0.338 3.831 4.170 -0.002 0.000 0.238 522 I C 2.339 178.397 176.117 -0.098 0.000 1.070 522 I CA 1.463 62.730 61.300 -0.055 0.000 1.332 522 I CB -0.582 37.498 38.000 0.134 0.000 1.044 522 I HN 0.186 nan 8.210 nan 0.000 0.402 523 L N 0.258 121.457 121.223 -0.040 0.000 2.081 523 L HA -0.303 4.036 4.340 -0.002 0.000 0.212 523 L C 2.376 179.241 176.870 -0.008 0.000 1.080 523 L CA 1.390 56.220 54.840 -0.017 0.000 0.754 523 L CB -0.773 41.279 42.059 -0.011 0.000 0.893 523 L HN 0.389 nan 8.230 nan 0.000 0.433 524 D N -0.380 120.005 120.400 -0.025 0.000 2.126 524 D HA -0.203 4.436 4.640 -0.002 0.000 0.190 524 D C 1.960 178.237 176.300 -0.039 0.000 1.001 524 D CA 2.111 56.097 54.000 -0.025 0.000 0.841 524 D CB 0.144 40.907 40.800 -0.061 0.000 0.949 524 D HN 0.265 nan 8.370 nan 0.000 0.446 525 T N 0.756 115.220 114.554 -0.149 0.000 2.812 525 T HA -0.007 4.342 4.350 -0.002 0.000 0.264 525 T C 2.174 176.819 174.700 -0.092 0.000 1.042 525 T CA 0.519 62.528 62.100 -0.151 0.000 1.140 525 T CB -0.107 68.577 68.868 -0.308 0.000 0.870 525 T HN 0.146 nan 8.240 nan 0.000 0.445 526 L N 0.802 121.947 121.223 -0.129 0.000 2.017 526 L HA -0.076 4.263 4.340 -0.002 0.000 0.208 526 L C 2.635 179.510 176.870 0.009 0.000 1.073 526 L CA 1.011 55.776 54.840 -0.124 0.000 0.745 526 L CB -0.878 41.138 42.059 -0.071 0.000 0.894 526 L HN 0.129 nan 8.230 nan 0.000 0.432 527 V N -0.522 119.469 119.914 0.128 0.000 2.490 527 V HA -0.284 3.835 4.120 -0.002 0.000 0.250 527 V C 2.193 178.416 176.094 0.216 0.000 1.061 527 V CA 1.693 64.142 62.300 0.248 0.000 1.064 527 V CB -0.552 31.349 31.823 0.130 0.000 0.670 527 V HN 0.348 nan 8.190 nan 0.000 0.461 528 F N 1.364 121.309 119.950 -0.008 0.000 2.259 528 F HA 0.033 4.560 4.527 -0.001 0.000 0.298 528 F C 2.230 177.977 175.800 -0.087 0.000 1.088 528 F CA 1.009 58.988 58.000 -0.036 0.000 1.358 528 F CB -0.306 38.651 39.000 -0.072 0.000 1.040 528 F HN 0.077 nan 8.300 nan 0.000 0.505 529 A N -0.035 122.671 122.820 -0.189 0.000 2.019 529 A HA -0.183 4.136 4.320 -0.002 0.000 0.219 529 A C 2.064 179.303 177.584 -0.576 0.000 1.164 529 A CA 1.465 53.161 52.037 -0.568 0.000 0.644 529 A CB -1.576 16.870 19.000 -0.924 0.000 0.805 529 A HN 0.462 nan 8.150 nan 0.000 0.449 530 F N 1.171 120.902 119.950 -0.365 0.000 2.120 530 F HA -0.275 4.251 4.527 -0.002 0.000 0.300 530 F C 2.996 178.682 175.800 -0.190 0.000 1.095 530 F CA 2.009 59.876 58.000 -0.222 0.000 1.249 530 F CB -0.108 38.815 39.000 -0.128 0.000 0.995 530 F HN 0.401 nan 8.300 nan 0.000 0.480 531 S N -0.659 114.975 115.700 -0.110 0.000 2.414 531 S HA -0.163 4.306 4.470 -0.002 0.000 0.227 531 S C 1.905 176.401 174.600 -0.173 0.000 1.022 531 S CA 0.984 59.085 58.200 -0.166 0.000 0.958 531 S CB -0.356 62.666 63.200 -0.296 0.000 0.797 531 S HN 0.427 nan 8.310 nan 0.000 0.493 532 K N 0.011 120.259 120.400 -0.253 0.000 2.137 532 K HA 0.118 4.437 4.320 -0.002 0.000 0.202 532 K C 0.079 176.739 176.600 0.101 0.000 1.052 532 K CA 0.067 56.298 56.287 -0.094 0.000 0.961 532 K CB -0.149 32.297 32.500 -0.090 0.000 0.741 532 K HN 0.483 nan 8.250 nan 0.000 0.452 533 Y N 2.017 122.232 120.300 -0.142 0.000 2.480 533 Y HA -0.030 4.519 4.550 -0.001 0.000 0.338 533 Y C 0.913 176.762 175.900 -0.085 0.000 1.220 533 Y CA -1.086 56.935 58.100 -0.132 0.000 1.430 533 Y CB 0.799 39.131 38.460 -0.212 0.000 1.311 533 Y HN 0.218 nan 8.280 nan 0.000 0.575 534 Q N 0.679 120.473 119.800 -0.010 0.000 2.207 534 Q HA 0.062 4.401 4.340 -0.002 0.000 0.237 534 Q C 0.939 176.935 176.000 -0.006 0.000 0.998 534 Q CA -0.471 55.335 55.803 0.006 0.000 0.951 534 Q CB 0.423 29.158 28.738 -0.005 0.000 1.213 534 Q HN 0.811 nan 8.270 nan 0.000 0.499 535 H N 1.209 120.266 119.070 -0.021 0.000 2.255 535 H HA -0.189 4.366 4.556 -0.002 0.000 0.290 535 H C 1.308 176.620 175.328 -0.027 0.000 1.087 535 H CA 2.904 58.952 56.048 -0.001 0.000 1.213 535 H CB 0.321 30.092 29.762 0.016 0.000 1.349 535 H HN 0.431 nan 8.280 nan 0.000 0.487 536 K N -0.483 119.678 120.400 -0.399 0.000 2.147 536 K HA -0.107 4.212 4.320 -0.002 0.000 0.205 536 K C 2.183 178.584 176.600 -0.331 0.000 1.049 536 K CA 1.648 57.667 56.287 -0.447 0.000 0.936 536 K CB -0.073 32.316 32.500 -0.185 0.000 0.722 536 K HN 0.491 nan 8.250 nan 0.000 0.446 537 N N 0.440 118.941 118.700 -0.331 0.000 2.300 537 N HA -0.028 4.711 4.740 -0.002 0.000 0.179 537 N C 1.561 176.923 175.510 -0.248 0.000 1.016 537 N CA 0.355 53.161 53.050 -0.406 0.000 0.876 537 N CB 0.059 38.026 38.487 -0.867 0.000 0.979 537 N HN 0.015 nan 8.380 nan 0.000 0.432 538 L N 0.839 121.934 121.223 -0.213 0.000 2.081 538 L HA -0.210 4.129 4.340 -0.002 0.000 0.212 538 L C 1.882 178.451 176.870 -0.501 0.000 1.080 538 L CA 1.048 55.694 54.840 -0.323 0.000 0.754 538 L CB -0.377 41.520 42.059 -0.271 0.000 0.893 538 L HN 0.301 nan 8.230 nan 0.000 0.433 539 L N -0.751 120.336 121.223 -0.227 0.000 2.083 539 L HA -0.230 4.109 4.340 -0.002 0.000 0.209 539 L C 2.383 179.270 176.870 0.029 0.000 1.083 539 L CA 1.279 56.125 54.840 0.009 0.000 0.752 539 L CB -0.474 41.597 42.059 0.020 0.000 0.899 539 L HN 0.288 nan 8.230 nan 0.000 0.433 540 I N -0.480 120.068 120.570 -0.037 0.000 2.617 540 I HA -0.221 3.948 4.170 -0.002 0.000 0.256 540 I C 2.459 178.589 176.117 0.022 0.000 1.167 540 I CA 0.618 61.929 61.300 0.018 0.000 1.469 540 I CB -0.088 37.917 38.000 0.008 0.000 1.098 540 I HN 0.232 nan 8.210 nan 0.000 0.436 541 L N 0.672 121.856 121.223 -0.064 0.000 2.056 541 L HA -0.205 4.134 4.340 -0.002 0.000 0.207 541 L C 2.389 179.195 176.870 -0.107 0.000 1.078 541 L CA 1.942 56.690 54.840 -0.153 0.000 0.749 541 L CB -0.786 41.039 42.059 -0.389 0.000 0.901 541 L HN 0.158 nan 8.230 nan 0.000 0.433 542 Y N -0.624 119.676 120.300 -0.000 0.000 2.207 542 Y HA -0.307 4.242 4.550 -0.002 0.000 0.287 542 Y C 2.490 178.439 175.900 0.082 0.000 1.156 542 Y CA 1.053 59.193 58.100 0.067 0.000 1.182 542 Y CB -0.360 38.166 38.460 0.110 0.000 0.979 542 Y HN 0.365 nan 8.280 nan 0.000 0.521 543 D N 0.129 120.665 120.400 0.226 0.000 2.117 543 D HA -0.177 4.462 4.640 -0.002 0.000 0.198 543 D C 2.169 178.553 176.300 0.140 0.000 0.982 543 D CA 1.334 55.434 54.000 0.166 0.000 0.828 543 D CB -0.213 40.668 40.800 0.135 0.000 0.967 543 D HN 0.224 nan 8.370 nan 0.000 0.464 544 A N 0.258 123.155 122.820 0.128 0.000 1.883 544 A HA -0.139 4.180 4.320 -0.002 0.000 0.217 544 A C 2.462 180.133 177.584 0.146 0.000 1.186 544 A CA 1.589 53.712 52.037 0.144 0.000 0.624 544 A CB -0.949 18.136 19.000 0.142 0.000 0.822 544 A HN 0.392 nan 8.150 nan 0.000 0.444 545 I N -0.284 120.370 120.570 0.139 0.000 2.179 545 I HA -0.204 3.965 4.170 -0.002 0.000 0.242 545 I C 2.692 178.896 176.117 0.145 0.000 1.088 545 I CA 1.228 62.620 61.300 0.153 0.000 1.357 545 I CB -0.588 37.535 38.000 0.206 0.000 1.051 545 I HN 0.394 nan 8.210 nan 0.000 0.409 546 G N -0.262 108.630 108.800 0.154 0.000 2.432 546 G HA2 -0.204 3.755 3.960 -0.002 0.000 0.219 546 G HA3 -0.204 3.755 3.960 -0.002 0.000 0.219 546 G C 1.658 176.616 174.900 0.097 0.000 1.135 546 G CA 1.374 46.550 45.100 0.125 0.000 0.767 546 G HN 0.300 nan 8.290 nan 0.000 0.550 547 T N 0.725 115.336 114.554 0.095 0.000 2.942 547 T HA -0.010 4.339 4.350 -0.002 0.000 0.265 547 T C 2.195 176.928 174.700 0.055 0.000 1.062 547 T CA 0.731 62.872 62.100 0.068 0.000 1.139 547 T CB -0.067 68.837 68.868 0.060 0.000 0.883 547 T HN 0.135 nan 8.240 nan 0.000 0.468 548 L N 1.690 122.958 121.223 0.074 0.000 2.046 548 L HA 0.083 4.422 4.340 -0.002 0.000 0.208 548 L C 2.593 179.496 176.870 0.055 0.000 1.077 548 L CA 1.796 56.674 54.840 0.063 0.000 0.747 548 L CB -0.959 41.156 42.059 0.093 0.000 0.896 548 L HN 0.209 nan 8.230 nan 0.000 0.432 549 A N -0.709 122.153 122.820 0.070 0.000 1.883 549 A HA -0.229 4.090 4.320 -0.002 0.000 0.217 549 A C 1.984 179.606 177.584 0.064 0.000 1.186 549 A CA 1.987 54.068 52.037 0.074 0.000 0.624 549 A CB -0.865 18.189 19.000 0.090 0.000 0.822 549 A HN 0.540 nan 8.150 nan 0.000 0.444 550 D N -0.204 120.231 120.400 0.057 0.000 2.144 550 D HA -0.052 4.587 4.640 -0.002 0.000 0.200 550 D C 2.178 178.501 176.300 0.039 0.000 0.978 550 D CA 1.560 55.588 54.000 0.047 0.000 0.833 550 D CB -0.320 40.505 40.800 0.041 0.000 0.961 550 D HN 0.395 nan 8.370 nan 0.000 0.470 551 S N -0.446 115.271 115.700 0.030 0.000 2.436 551 S HA -0.002 4.467 4.470 -0.002 0.000 0.228 551 S C 2.030 176.642 174.600 0.020 0.000 1.014 551 S CA 0.147 58.356 58.200 0.014 0.000 0.950 551 S CB 0.463 63.656 63.200 -0.011 0.000 0.784 551 S HN 0.065 nan 8.310 nan 0.000 0.504 552 V N 0.280 120.213 119.914 0.032 0.000 3.431 552 V HA 0.286 4.405 4.120 -0.002 0.000 0.253 552 V C 1.456 177.597 176.094 0.078 0.000 1.184 552 V CA 0.753 63.079 62.300 0.044 0.000 1.104 552 V CB -0.474 31.363 31.823 0.024 0.000 0.799 552 V HN 0.597 nan 8.190 nan 0.000 0.462 553 G N 1.445 110.282 108.800 0.061 0.000 2.566 553 G HA2 -0.403 3.556 3.960 -0.002 0.000 0.280 553 G HA3 -0.403 3.556 3.960 -0.002 0.000 0.280 553 G C 0.864 175.782 174.900 0.031 0.000 1.225 553 G CA 0.674 45.807 45.100 0.055 0.000 0.966 553 G HN 0.694 nan 8.290 nan 0.000 0.560 554 H N 0.534 119.614 119.070 0.018 0.000 2.541 554 H HA -0.070 4.485 4.556 -0.002 0.000 0.289 554 H C 1.927 177.250 175.328 -0.009 0.000 1.054 554 H CA 1.805 57.843 56.048 -0.018 0.000 1.250 554 H CB -0.484 29.229 29.762 -0.083 0.000 1.369 554 H HN 0.689 nan 8.280 nan 0.000 0.578 555 H N 0.270 119.128 119.070 -0.353 0.000 2.518 555 H HA -0.060 4.495 4.556 -0.002 0.000 0.289 555 H C 2.069 177.466 175.328 0.116 0.000 1.051 555 H CA 0.910 56.876 56.048 -0.137 0.000 1.280 555 H CB 0.152 29.813 29.762 -0.168 0.000 1.380 555 H HN 0.343 nan 8.280 nan 0.000 0.566 556 L N 1.068 122.414 121.223 0.205 0.000 2.395 556 L HA -0.008 4.331 4.340 -0.002 0.000 0.218 556 L C 0.862 177.926 176.870 0.323 0.000 1.130 556 L CA 0.630 55.625 54.840 0.259 0.000 0.826 556 L CB -0.245 41.900 42.059 0.143 0.000 0.941 556 L HN -0.021 nan 8.230 nan 0.000 0.451 557 N N 1.732 120.567 118.700 0.226 0.000 2.819 557 N HA 0.053 4.792 4.740 -0.002 0.000 0.284 557 N C -1.132 174.450 175.510 0.121 0.000 1.196 557 N CA 0.335 53.488 53.050 0.171 0.000 1.114 557 N CB -0.302 38.278 38.487 0.155 0.000 1.437 557 N HN 0.243 nan 8.380 nan 0.000 0.518 558 K N 1.861 122.303 120.400 0.070 0.000 2.498 558 K HA 0.299 4.618 4.320 -0.002 0.000 0.254 558 K C -1.881 174.639 176.600 -0.132 0.000 0.933 558 K CA -1.703 54.520 56.287 -0.107 0.000 0.806 558 K CB 2.469 34.753 32.500 -0.359 0.000 1.301 558 K HN -0.029 nan 8.250 nan 0.000 0.432 559 P HA -0.324 nan 4.420 nan 0.000 0.219 559 P C 0.985 178.240 177.300 -0.074 0.000 1.158 559 P CA 1.835 64.902 63.100 -0.055 0.000 0.895 559 P CB 0.239 31.909 31.700 -0.051 0.000 0.792 560 E N -1.033 119.060 120.200 -0.178 0.000 2.106 560 E HA -0.193 4.156 4.350 -0.002 0.000 0.192 560 E C 2.124 178.737 176.600 0.021 0.000 0.984 560 E CA 0.868 57.201 56.400 -0.112 0.000 0.806 560 E CB -1.203 28.411 29.700 -0.144 0.000 0.750 560 E HN 0.354 nan 8.360 nan 0.000 0.458 561 Y N 1.114 121.426 120.300 0.020 0.000 2.130 561 Y HA -0.083 4.466 4.550 -0.002 0.000 0.287 561 Y C 2.534 178.420 175.900 -0.024 0.000 1.124 561 Y CA 0.396 58.503 58.100 0.012 0.000 1.118 561 Y CB -0.231 38.246 38.460 0.029 0.000 0.994 561 Y HN -0.066 nan 8.280 nan 0.000 0.497 562 I N 0.530 121.174 120.570 0.122 0.000 2.143 562 I HA -0.414 3.755 4.170 -0.002 0.000 0.245 562 I C 2.205 178.275 176.117 -0.078 0.000 1.068 562 I CA 1.712 62.997 61.300 -0.026 0.000 1.326 562 I CB -0.461 37.540 38.000 0.002 0.000 1.028 562 I HN 0.342 nan 8.210 nan 0.000 0.412 563 Q N -0.137 119.665 119.800 0.003 0.000 2.297 563 Q HA -0.137 4.202 4.340 -0.002 0.000 0.204 563 Q C 2.186 178.182 176.000 -0.006 0.000 0.962 563 Q CA 1.303 57.112 55.803 0.010 0.000 0.879 563 Q CB 0.008 28.767 28.738 0.035 0.000 0.947 563 Q HN 0.669 nan 8.270 nan 0.000 0.462 564 M N -2.269 117.338 119.600 0.012 0.000 2.534 564 M HA 0.143 4.622 4.480 -0.002 0.000 0.263 564 M C 1.497 177.777 176.300 -0.034 0.000 1.152 564 M CA 0.789 56.094 55.300 0.010 0.000 1.145 564 M CB 0.083 32.717 32.600 0.057 0.000 1.333 564 M HN 0.155 nan 8.290 nan 0.000 0.477 565 L N 0.844 122.036 121.223 -0.052 0.000 2.202 565 L HA 0.158 4.497 4.340 -0.002 0.000 0.205 565 L C 2.236 178.980 176.870 -0.210 0.000 1.083 565 L CA 1.237 56.025 54.840 -0.087 0.000 0.790 565 L CB -0.316 41.724 42.059 -0.032 0.000 0.942 565 L HN 0.204 nan 8.230 nan 0.000 0.452 566 M N 0.057 119.467 119.600 -0.317 0.000 2.077 566 M HA -0.008 4.471 4.480 -0.002 0.000 0.261 566 M C -0.108 175.994 176.300 -0.330 0.000 1.070 566 M CA 1.487 56.483 55.300 -0.507 0.000 1.125 566 M CB -2.324 29.611 32.600 -1.109 0.000 1.339 566 M HN 0.031 nan 8.290 nan 0.000 0.409 567 P HA -0.178 nan 4.420 nan 0.000 0.218 567 P C -1.356 175.839 177.300 -0.176 0.000 1.165 567 P CA 2.205 65.232 63.100 -0.122 0.000 0.922 567 P CB -1.656 29.994 31.700 -0.082 0.000 0.794 568 P HA -0.072 nan 4.420 nan 0.000 0.218 568 P C 1.654 178.677 177.300 -0.462 0.000 1.149 568 P CA 1.115 63.925 63.100 -0.483 0.000 0.817 568 P CB -0.482 30.676 31.700 -0.904 0.000 0.785 569 L N -1.315 119.695 121.223 -0.354 0.000 2.093 569 L HA -0.117 4.222 4.340 -0.002 0.000 0.208 569 L C 2.161 179.038 176.870 0.011 0.000 1.085 569 L CA 1.040 55.812 54.840 -0.113 0.000 0.755 569 L CB -0.698 41.305 42.059 -0.094 0.000 0.904 569 L HN -0.061 nan 8.230 nan 0.000 0.435 570 I N -0.399 120.146 120.570 -0.041 0.000 2.315 570 I HA -0.238 3.931 4.170 -0.002 0.000 0.248 570 I C 2.569 178.783 176.117 0.162 0.000 1.117 570 I CA 1.314 62.653 61.300 0.065 0.000 1.404 570 I CB -1.145 36.862 38.000 0.011 0.000 1.071 570 I HN 0.385 nan 8.210 nan 0.000 0.419 571 Q N 0.547 120.387 119.800 0.067 0.000 2.135 571 Q HA -0.201 4.138 4.340 -0.002 0.000 0.204 571 Q C 2.110 178.186 176.000 0.126 0.000 0.981 571 Q CA 1.215 57.063 55.803 0.076 0.000 0.856 571 Q CB 0.035 28.781 28.738 0.014 0.000 0.902 571 Q HN 0.434 nan 8.270 nan 0.000 0.425 572 K N -0.040 120.456 120.400 0.160 0.000 2.155 572 K HA -0.135 4.184 4.320 -0.002 0.000 0.203 572 K C 1.575 178.316 176.600 0.235 0.000 1.052 572 K CA 0.495 56.917 56.287 0.225 0.000 0.948 572 K CB -0.434 32.274 32.500 0.347 0.000 0.728 572 K HN 0.444 nan 8.250 nan 0.000 0.448 573 W N 3.118 124.450 121.300 0.053 0.000 2.332 573 W HA -0.259 4.401 4.660 -0.001 0.000 0.321 573 W C 1.350 177.893 176.519 0.040 0.000 1.219 573 W CA 1.681 59.051 57.345 0.041 0.000 1.277 573 W CB -0.214 29.269 29.460 0.039 0.000 1.161 573 W HN 0.137 nan 8.180 nan 0.000 0.476 574 N N 0.691 119.499 118.700 0.180 0.000 2.013 574 N HA -0.294 4.445 4.740 -0.002 0.000 0.195 574 N C 1.902 177.405 175.510 -0.012 0.000 1.051 574 N CA 2.069 55.149 53.050 0.051 0.000 0.851 574 N CB -1.475 37.080 38.487 0.114 0.000 1.044 574 N HN 0.217 nan 8.380 nan 0.000 0.422 575 M N 0.680 120.302 119.600 0.037 0.000 2.153 575 M HA -0.175 4.304 4.480 -0.002 0.000 0.253 575 M C 0.068 176.365 176.300 -0.004 0.000 1.081 575 M CA 1.246 56.563 55.300 0.029 0.000 1.076 575 M CB -0.175 32.465 32.600 0.068 0.000 1.350 575 M HN 0.069 nan 8.290 nan 0.000 0.401 576 L N 1.886 123.087 121.223 -0.037 0.000 2.349 576 L HA 0.125 4.464 4.340 -0.002 0.000 0.275 576 L C -0.177 176.609 176.870 -0.139 0.000 1.115 576 L CA -0.319 54.478 54.840 -0.072 0.000 0.820 576 L CB 1.004 43.019 42.059 -0.074 0.000 1.135 576 L HN 0.095 nan 8.230 nan 0.000 0.445 577 K N 1.683 122.018 120.400 -0.109 0.000 2.110 577 K HA 0.178 4.497 4.320 -0.002 0.000 0.263 577 K C 0.341 176.842 176.600 -0.164 0.000 0.975 577 K CA -0.590 55.623 56.287 -0.123 0.000 0.895 577 K CB 0.889 33.340 32.500 -0.081 0.000 1.060 577 K HN 0.365 nan 8.250 nan 0.000 0.448 578 D N 1.954 122.243 120.400 -0.185 0.000 2.403 578 D HA -0.129 4.510 4.640 -0.002 0.000 0.227 578 D C 0.384 176.530 176.300 -0.258 0.000 0.995 578 D CA 0.997 54.855 54.000 -0.236 0.000 0.928 578 D CB 0.374 41.054 40.800 -0.200 0.000 0.887 578 D HN 0.584 nan 8.370 nan 0.000 0.529 579 E N 0.334 120.423 120.200 -0.185 0.000 2.190 579 E HA -0.044 4.305 4.350 -0.002 0.000 0.191 579 E C 0.672 177.183 176.600 -0.149 0.000 0.978 579 E CA -0.026 56.279 56.400 -0.159 0.000 0.839 579 E CB 0.373 30.025 29.700 -0.081 0.000 0.787 579 E HN 0.118 nan 8.360 nan 0.000 0.473 580 D N 1.651 121.984 120.400 -0.112 0.000 2.458 580 D HA -0.040 4.599 4.640 -0.002 0.000 0.243 580 D C 0.296 176.658 176.300 0.105 0.000 1.146 580 D CA 0.436 54.432 54.000 -0.006 0.000 0.877 580 D CB 0.875 41.676 40.800 0.002 0.000 1.176 580 D HN -0.101 nan 8.370 nan 0.000 0.461 581 K N 2.572 123.110 120.400 0.229 0.000 2.551 581 K HA -0.017 4.302 4.320 -0.002 0.000 0.204 581 K C -0.096 176.713 176.600 0.349 0.000 1.033 581 K CA -0.019 56.522 56.287 0.423 0.000 1.187 581 K CB 0.360 33.038 32.500 0.298 0.000 0.900 581 K HN 0.325 nan 8.250 nan 0.000 0.499 582 D N 0.326 120.904 120.400 0.297 0.000 2.360 582 D HA -0.057 4.582 4.640 -0.002 0.000 0.210 582 D C 1.418 177.885 176.300 0.278 0.000 1.047 582 D CA 0.099 54.288 54.000 0.314 0.000 0.854 582 D CB 0.416 41.409 40.800 0.323 0.000 0.936 582 D HN 0.127 nan 8.370 nan 0.000 0.514 583 L N 0.022 121.404 121.223 0.265 0.000 2.056 583 L HA -0.050 4.289 4.340 -0.002 0.000 0.207 583 L C 1.962 179.019 176.870 0.312 0.000 1.078 583 L CA 1.147 56.111 54.840 0.207 0.000 0.749 583 L CB -0.623 41.495 42.059 0.097 0.000 0.901 583 L HN -0.051 nan 8.230 nan 0.000 0.433 584 F N 0.887 121.038 119.950 0.334 0.000 2.024 584 F HA -0.287 4.239 4.527 -0.002 0.000 0.296 584 F C -0.364 175.503 175.800 0.111 0.000 1.137 584 F CA 2.668 60.783 58.000 0.191 0.000 1.200 584 F CB -1.510 37.522 39.000 0.053 0.000 0.954 584 F HN 0.152 nan 8.300 nan 0.000 0.497 585 P HA -0.143 nan 4.420 nan 0.000 0.220 585 P C 1.663 178.997 177.300 0.057 0.000 1.148 585 P CA 1.130 64.395 63.100 0.274 0.000 0.803 585 P CB -0.088 31.826 31.700 0.357 0.000 0.782 586 L N -1.269 119.883 121.223 -0.118 0.000 2.109 586 L HA -0.050 4.289 4.340 -0.002 0.000 0.207 586 L C 2.110 178.934 176.870 -0.076 0.000 1.086 586 L CA 1.603 56.194 54.840 -0.414 0.000 0.760 586 L CB -1.138 40.706 42.059 -0.358 0.000 0.910 586 L HN -0.143 nan 8.230 nan 0.000 0.437 587 L N -0.705 120.544 121.223 0.045 0.000 2.005 587 L HA -0.193 4.146 4.340 -0.002 0.000 0.207 587 L C 2.514 179.389 176.870 0.007 0.000 1.072 587 L CA 1.507 56.396 54.840 0.080 0.000 0.744 587 L CB -0.624 41.478 42.059 0.070 0.000 0.895 587 L HN 0.299 nan 8.230 nan 0.000 0.433 588 E N -0.772 119.403 120.200 -0.042 0.000 2.171 588 E HA -0.303 4.046 4.350 -0.002 0.000 0.197 588 E C 2.288 178.907 176.600 0.032 0.000 0.997 588 E CA 1.587 57.972 56.400 -0.025 0.000 0.810 588 E CB -0.268 29.422 29.700 -0.016 0.000 0.738 588 E HN 0.590 nan 8.360 nan 0.000 0.467 589 C N 0.398 119.728 119.300 0.050 0.000 2.462 589 C HA -0.077 4.382 4.460 -0.002 0.000 0.278 589 C C 2.453 177.497 174.990 0.089 0.000 1.253 589 C CA 0.376 59.449 59.018 0.091 0.000 1.713 589 C CB -0.842 26.968 27.740 0.116 0.000 2.049 589 C HN 0.354 nan 8.230 nan 0.000 0.477 590 L N 1.299 122.563 121.223 0.069 0.000 2.265 590 L HA -0.010 4.329 4.340 -0.002 0.000 0.215 590 L C 2.786 179.717 176.870 0.102 0.000 1.117 590 L CA 2.150 57.052 54.840 0.103 0.000 0.782 590 L CB -1.002 41.093 42.059 0.059 0.000 0.914 590 L HN 0.544 nan 8.230 nan 0.000 0.441 591 S N -2.144 113.580 115.700 0.041 0.000 2.414 591 S HA -0.107 4.362 4.470 -0.002 0.000 0.227 591 S C 2.129 176.743 174.600 0.023 0.000 1.022 591 S CA 1.341 59.540 58.200 -0.002 0.000 0.958 591 S CB -0.032 63.158 63.200 -0.016 0.000 0.797 591 S HN 0.536 nan 8.310 nan 0.000 0.493 592 S N 0.944 116.677 115.700 0.055 0.000 2.355 592 S HA -0.019 4.450 4.470 -0.002 0.000 0.222 592 S C 1.771 176.431 174.600 0.100 0.000 1.031 592 S CA 1.346 59.587 58.200 0.068 0.000 0.993 592 S CB -0.404 62.841 63.200 0.076 0.000 0.859 592 S HN 0.429 nan 8.310 nan 0.000 0.453 593 V N 1.857 121.853 119.914 0.136 0.000 3.026 593 V HA -0.098 4.021 4.120 -0.002 0.000 0.265 593 V C 2.195 178.482 176.094 0.321 0.000 1.121 593 V CA 1.330 63.742 62.300 0.187 0.000 1.142 593 V CB -1.212 30.708 31.823 0.163 0.000 0.730 593 V HN 0.503 nan 8.190 nan 0.000 0.503 594 A N -0.200 122.753 122.820 0.221 0.000 1.887 594 A HA -0.071 4.248 4.320 -0.002 0.000 0.212 594 A C 2.383 179.981 177.584 0.024 0.000 1.198 594 A CA 1.688 53.732 52.037 0.013 0.000 0.628 594 A CB -0.680 18.095 19.000 -0.375 0.000 0.847 594 A HN 0.428 nan 8.150 nan 0.000 0.449 595 T N 0.628 115.199 114.554 0.029 0.000 2.746 595 T HA -0.023 4.326 4.350 -0.002 0.000 0.267 595 T C 2.218 176.968 174.700 0.083 0.000 1.039 595 T CA 1.576 63.699 62.100 0.038 0.000 1.142 595 T CB -0.422 68.465 68.868 0.031 0.000 0.866 595 T HN 0.543 nan 8.240 nan 0.000 0.444 596 A N 1.509 124.395 122.820 0.109 0.000 1.877 596 A HA 0.082 4.401 4.320 -0.002 0.000 0.216 596 A C 1.458 179.134 177.584 0.153 0.000 1.186 596 A CA 0.957 53.069 52.037 0.126 0.000 0.620 596 A CB -0.753 18.318 19.000 0.119 0.000 0.822 596 A HN 0.506 nan 8.150 nan 0.000 0.443 597 L N 1.456 122.795 121.223 0.194 0.000 2.437 597 L HA 0.072 4.411 4.340 -0.002 0.000 0.243 597 L C -0.001 176.987 176.870 0.197 0.000 1.346 597 L CA -0.450 54.519 54.840 0.214 0.000 1.233 597 L CB -0.223 41.996 42.059 0.266 0.000 1.436 597 L HN 0.365 nan 8.230 nan 0.000 0.416 598 Q N 2.176 122.059 119.800 0.139 0.000 2.628 598 Q HA -0.077 4.262 4.340 -0.002 0.000 0.234 598 Q C 1.236 177.293 176.000 0.095 0.000 1.348 598 Q CA 0.865 56.726 55.803 0.097 0.000 0.865 598 Q CB 0.001 28.782 28.738 0.070 0.000 1.671 598 Q HN 0.903 nan 8.270 nan 0.000 0.552 599 S N -1.321 114.451 115.700 0.120 0.000 2.596 599 S HA -0.203 4.266 4.470 -0.002 0.000 0.260 599 S C 1.286 175.973 174.600 0.145 0.000 1.282 599 S CA 1.109 59.379 58.200 0.117 0.000 1.357 599 S CB -1.779 61.461 63.200 0.067 0.000 1.674 599 S HN 0.638 nan 8.310 nan 0.000 0.641 600 G N 0.228 109.128 108.800 0.167 0.000 2.471 600 G HA2 0.118 4.077 3.960 -0.002 0.000 0.219 600 G HA3 0.118 4.077 3.960 -0.002 0.000 0.219 600 G C 0.800 175.848 174.900 0.247 0.000 1.125 600 G CA 0.861 46.063 45.100 0.169 0.000 0.775 600 G HN 0.688 nan 8.290 nan 0.000 0.548 601 F N 0.486 120.517 119.950 0.135 0.000 2.407 601 F HA 0.161 4.687 4.527 -0.002 0.000 0.299 601 F C 2.280 178.184 175.800 0.172 0.000 1.097 601 F CA 0.218 58.326 58.000 0.180 0.000 1.422 601 F CB 0.074 39.127 39.000 0.088 0.000 1.067 601 F HN 0.089 nan 8.300 nan 0.000 0.539 602 L N 1.125 122.528 121.223 0.300 0.000 1.976 602 L HA -0.265 4.074 4.340 -0.002 0.000 0.223 602 L C -0.694 176.201 176.870 0.043 0.000 1.081 602 L CA 2.094 57.026 54.840 0.154 0.000 0.784 602 L CB -1.508 40.592 42.059 0.067 0.000 0.896 602 L HN 0.012 nan 8.230 nan 0.000 0.438 603 P HA -0.151 nan 4.420 nan 0.000 0.226 603 P C 0.218 177.250 177.300 -0.448 0.000 1.146 603 P CA 1.466 64.347 63.100 -0.364 0.000 0.773 603 P CB -0.080 31.250 31.700 -0.617 0.000 0.772 604 Y N -2.326 117.944 120.300 -0.050 0.000 2.444 604 Y HA 0.079 4.628 4.550 -0.002 0.000 0.249 604 Y C 2.341 178.274 175.900 0.056 0.000 1.134 604 Y CA -0.220 57.795 58.100 -0.142 0.000 1.261 604 Y CB -1.035 37.142 38.460 -0.472 0.000 1.143 604 Y HN 0.113 nan 8.280 nan 0.000 0.523 605 C N -0.975 118.565 119.300 0.399 0.000 2.467 605 C HA -0.030 4.429 4.460 -0.002 0.000 0.279 605 C C 2.276 177.388 174.990 0.203 0.000 1.347 605 C CA 0.462 59.731 59.018 0.419 0.000 1.748 605 C CB -0.830 27.074 27.740 0.273 0.000 1.977 605 C HN 0.572 nan 8.230 nan 0.000 0.501 606 E N 2.629 122.902 120.200 0.122 0.000 2.095 606 E HA -0.243 4.106 4.350 -0.002 0.000 0.212 606 E C -0.578 176.122 176.600 0.167 0.000 1.044 606 E CA 2.776 59.238 56.400 0.103 0.000 0.857 606 E CB -0.649 29.082 29.700 0.052 0.000 0.764 606 E HN 0.552 nan 8.360 nan 0.000 0.462 607 P HA -0.048 nan 4.420 nan 0.000 0.224 607 P C 1.227 178.676 177.300 0.248 0.000 1.157 607 P CA 0.664 63.895 63.100 0.219 0.000 0.799 607 P CB 0.179 31.994 31.700 0.190 0.000 0.809 608 V N -1.129 118.787 119.914 0.002 0.000 2.358 608 V HA -0.242 3.877 4.120 -0.002 0.000 0.246 608 V C 2.319 178.515 176.094 0.169 0.000 1.047 608 V CA 1.582 63.784 62.300 -0.163 0.000 1.035 608 V CB -1.294 30.425 31.823 -0.174 0.000 0.658 608 V HN 0.041 nan 8.190 nan 0.000 0.452 609 Y N 0.940 121.281 120.300 0.069 0.000 2.133 609 Y HA -0.226 4.323 4.550 -0.002 0.000 0.287 609 Y C 2.740 178.709 175.900 0.115 0.000 1.134 609 Y CA 1.959 60.101 58.100 0.069 0.000 1.133 609 Y CB -0.229 38.255 38.460 0.039 0.000 0.987 609 Y HN 0.203 nan 8.280 nan 0.000 0.502 610 Q N -0.186 119.795 119.800 0.302 0.000 2.181 610 Q HA -0.242 4.097 4.340 -0.002 0.000 0.205 610 Q C 2.354 178.426 176.000 0.119 0.000 0.980 610 Q CA 1.733 57.652 55.803 0.194 0.000 0.862 610 Q CB -0.207 28.666 28.738 0.226 0.000 0.905 610 Q HN 0.444 nan 8.270 nan 0.000 0.429 611 R N -0.422 120.215 120.500 0.228 0.000 2.153 611 R HA -0.032 4.307 4.340 -0.002 0.000 0.218 611 R C 2.058 178.424 176.300 0.110 0.000 1.072 611 R CA 0.626 56.832 56.100 0.178 0.000 0.990 611 R CB -0.109 30.354 30.300 0.271 0.000 0.889 611 R HN 0.225 nan 8.270 nan 0.000 0.452 612 C N -0.351 119.022 119.300 0.121 0.000 2.440 612 C HA 0.007 4.466 4.460 -0.002 0.000 0.278 612 C C 2.471 177.413 174.990 -0.081 0.000 1.295 612 C CA 0.431 59.466 59.018 0.027 0.000 1.738 612 C CB -0.396 27.341 27.740 -0.005 0.000 1.987 612 C HN 0.346 nan 8.230 nan 0.000 0.492 613 V N 1.716 121.527 119.914 -0.171 0.000 2.283 613 V HA -0.163 3.956 4.120 -0.002 0.000 0.243 613 V C 2.130 178.179 176.094 -0.075 0.000 1.039 613 V CA 2.081 64.279 62.300 -0.169 0.000 1.016 613 V CB -0.758 30.920 31.823 -0.241 0.000 0.650 613 V HN 0.479 nan 8.190 nan 0.000 0.449 614 N N 0.242 118.913 118.700 -0.048 0.000 2.184 614 N HA -0.196 4.543 4.740 -0.002 0.000 0.190 614 N C 1.657 177.143 175.510 -0.041 0.000 1.011 614 N CA 1.354 54.384 53.050 -0.033 0.000 0.867 614 N CB -0.589 37.884 38.487 -0.023 0.000 0.993 614 N HN 0.372 nan 8.380 nan 0.000 0.433 615 L N 0.137 121.335 121.223 -0.042 0.000 2.017 615 L HA -0.139 4.200 4.340 -0.002 0.000 0.208 615 L C 2.087 178.948 176.870 -0.015 0.000 1.073 615 L CA 0.890 55.706 54.840 -0.040 0.000 0.745 615 L CB -0.224 41.822 42.059 -0.022 0.000 0.894 615 L HN -0.021 nan 8.230 nan 0.000 0.432 616 V N -0.836 119.069 119.914 -0.015 0.000 2.407 616 V HA -0.340 3.779 4.120 -0.002 0.000 0.248 616 V C 2.345 178.433 176.094 -0.009 0.000 1.055 616 V CA 1.925 64.221 62.300 -0.007 0.000 1.049 616 V CB -0.528 31.282 31.823 -0.021 0.000 0.662 616 V HN 0.529 nan 8.190 nan 0.000 0.455 617 Q N 0.294 120.083 119.800 -0.018 0.000 1.993 617 Q HA -0.245 4.094 4.340 -0.002 0.000 0.202 617 Q C 2.345 178.335 176.000 -0.017 0.000 0.984 617 Q CA 2.024 57.817 55.803 -0.017 0.000 0.837 617 Q CB -0.124 28.603 28.738 -0.019 0.000 0.902 617 Q HN 0.573 nan 8.270 nan 0.000 0.423 618 K N -0.635 119.751 120.400 -0.023 0.000 2.044 618 K HA -0.159 4.160 4.320 -0.002 0.000 0.210 618 K C 2.155 178.746 176.600 -0.014 0.000 1.049 618 K CA 1.946 58.218 56.287 -0.026 0.000 0.927 618 K CB -0.251 32.224 32.500 -0.042 0.000 0.713 618 K HN 0.308 nan 8.250 nan 0.000 0.443 619 T N 1.857 116.411 114.554 -0.001 0.000 2.746 619 T HA -0.099 4.250 4.350 -0.002 0.000 0.267 619 T C 1.914 176.621 174.700 0.013 0.000 1.039 619 T CA 0.985 63.099 62.100 0.024 0.000 1.142 619 T CB -0.184 68.719 68.868 0.058 0.000 0.866 619 T HN 0.098 nan 8.240 nan 0.000 0.444 620 L N 0.667 121.892 121.223 0.002 0.000 2.046 620 L HA -0.090 4.249 4.340 -0.002 0.000 0.208 620 L C 3.064 179.922 176.870 -0.019 0.000 1.077 620 L CA 1.216 56.053 54.840 -0.006 0.000 0.747 620 L CB -0.673 41.383 42.059 -0.005 0.000 0.896 620 L HN 0.263 nan 8.230 nan 0.000 0.432 621 A N -0.441 122.364 122.820 -0.025 0.000 1.865 621 A HA -0.287 4.032 4.320 -0.002 0.000 0.217 621 A C 2.174 179.720 177.584 -0.064 0.000 1.191 621 A CA 1.798 53.808 52.037 -0.045 0.000 0.623 621 A CB -0.598 18.378 19.000 -0.041 0.000 0.826 621 A HN 0.484 nan 8.150 nan 0.000 0.444 622 Q N -0.881 118.895 119.800 -0.041 0.000 2.226 622 Q HA -0.050 4.289 4.340 -0.002 0.000 0.204 622 Q C 2.246 178.226 176.000 -0.034 0.000 0.975 622 Q CA 1.153 56.934 55.803 -0.037 0.000 0.866 622 Q CB -0.331 28.411 28.738 0.007 0.000 0.915 622 Q HN 0.708 nan 8.270 nan 0.000 0.440 623 A N 0.147 122.955 122.820 -0.020 0.000 2.016 623 A HA -0.091 4.228 4.320 -0.002 0.000 0.217 623 A C 1.918 179.483 177.584 -0.032 0.000 1.162 623 A CA 0.768 52.799 52.037 -0.011 0.000 0.662 623 A CB -0.225 18.775 19.000 0.001 0.000 0.812 623 A HN 0.254 nan 8.150 nan 0.000 0.450 624 M N -0.590 118.977 119.600 -0.056 0.000 2.064 624 M HA -0.052 4.427 4.480 -0.002 0.000 0.260 624 M C 2.061 178.289 176.300 -0.120 0.000 1.073 624 M CA 1.414 56.671 55.300 -0.072 0.000 1.124 624 M CB -0.536 32.020 32.600 -0.073 0.000 1.326 624 M HN 0.358 nan 8.290 nan 0.000 0.410 625 L N 0.141 121.233 121.223 -0.218 0.000 2.051 625 L HA -0.295 4.044 4.340 -0.002 0.000 0.214 625 L C 2.202 178.923 176.870 -0.247 0.000 1.076 625 L CA 1.593 56.169 54.840 -0.440 0.000 0.758 625 L CB -0.938 40.622 42.059 -0.833 0.000 0.890 625 L HN 0.420 nan 8.230 nan 0.000 0.433 626 N N -0.014 118.633 118.700 -0.089 0.000 2.188 626 N HA -0.224 4.515 4.740 -0.002 0.000 0.184 626 N C 1.681 177.207 175.510 0.026 0.000 1.018 626 N CA 1.244 54.315 53.050 0.034 0.000 0.858 626 N CB -0.149 38.368 38.487 0.049 0.000 0.989 626 N HN 0.268 nan 8.380 nan 0.000 0.426 627 N N -0.364 118.333 118.700 -0.005 0.000 2.216 627 N HA -0.101 4.638 4.740 -0.002 0.000 0.183 627 N C 1.501 177.014 175.510 0.006 0.000 1.017 627 N CA 1.072 54.124 53.050 0.003 0.000 0.861 627 N CB -0.056 38.428 38.487 -0.006 0.000 0.986 627 N HN 0.334 nan 8.380 nan 0.000 0.428 628 A N 0.627 123.440 122.820 -0.012 0.000 1.841 628 A HA -0.057 4.262 4.320 -0.002 0.000 0.214 628 A C 0.966 178.575 177.584 0.042 0.000 1.195 628 A CA 1.115 53.152 52.037 -0.000 0.000 0.611 628 A CB -0.167 18.812 19.000 -0.035 0.000 0.835 628 A HN 0.452 nan 8.150 nan 0.000 0.443 629 Q N -0.855 118.996 119.800 0.085 0.000 2.798 629 Q HA 0.239 4.578 4.340 -0.002 0.000 0.250 629 Q C -2.238 173.855 176.000 0.156 0.000 1.006 629 Q CA -1.912 53.980 55.803 0.147 0.000 0.759 629 Q CB 1.559 30.453 28.738 0.259 0.000 1.201 629 Q HN 0.281 nan 8.270 nan 0.000 0.486 630 P HA -0.187 nan 4.420 nan 0.000 0.218 630 P C 0.361 177.708 177.300 0.078 0.000 1.148 630 P CA 1.305 64.453 63.100 0.081 0.000 0.822 630 P CB 0.438 32.170 31.700 0.054 0.000 0.784 631 D N -1.616 118.822 120.400 0.064 0.000 2.216 631 D HA -0.066 4.573 4.640 -0.002 0.000 0.208 631 D C 1.951 178.263 176.300 0.020 0.000 0.960 631 D CA 0.795 54.818 54.000 0.039 0.000 0.861 631 D CB -0.548 40.268 40.800 0.027 0.000 0.985 631 D HN 0.123 nan 8.370 nan 0.000 0.493 632 Q N -0.701 119.114 119.800 0.024 0.000 2.435 632 Q HA -0.019 4.320 4.340 -0.002 0.000 0.207 632 Q C -0.312 175.549 176.000 -0.232 0.000 0.956 632 Q CA 0.524 56.278 55.803 -0.081 0.000 0.917 632 Q CB 0.416 29.121 28.738 -0.055 0.000 0.997 632 Q HN 0.320 nan 8.270 nan 0.000 0.497 633 Y N -0.496 119.810 120.300 0.009 0.000 2.605 633 Y HA 0.307 4.856 4.550 -0.002 0.000 0.343 633 Y C -0.419 175.488 175.900 0.013 0.000 1.036 633 Y CA -1.045 57.061 58.100 0.010 0.000 1.065 633 Y CB 1.621 40.086 38.460 0.009 0.000 1.288 633 Y HN -0.175 nan 8.280 nan 0.000 0.481 634 E N 0.875 121.205 120.200 0.217 0.000 2.191 634 E HA 0.633 4.982 4.350 -0.002 0.000 0.274 634 E C -1.045 175.620 176.600 0.107 0.000 0.948 634 E CA -1.082 55.391 56.400 0.122 0.000 0.802 634 E CB 1.696 31.449 29.700 0.089 0.000 1.137 634 E HN 0.639 nan 8.360 nan 0.000 0.397 635 A N 4.285 127.153 122.820 0.079 0.000 2.488 635 A HA 0.295 4.614 4.320 -0.002 0.000 0.249 635 A C -1.939 175.688 177.584 0.071 0.000 1.083 635 A CA -0.915 51.161 52.037 0.065 0.000 0.768 635 A CB -0.391 18.640 19.000 0.052 0.000 1.017 635 A HN 0.366 nan 8.150 nan 0.000 0.496 636 P HA 0.320 nan 4.420 nan 0.000 0.280 636 P C -1.057 176.313 177.300 0.118 0.000 1.272 636 P CA -0.526 62.633 63.100 0.098 0.000 0.819 636 P CB 0.717 32.469 31.700 0.086 0.000 1.122 637 D N 0.184 120.696 120.400 0.188 0.000 2.393 637 D HA 0.082 4.721 4.640 -0.002 0.000 0.232 637 D C 1.026 177.439 176.300 0.188 0.000 1.192 637 D CA -0.074 54.029 54.000 0.171 0.000 0.882 637 D CB 0.349 41.255 40.800 0.178 0.000 1.038 637 D HN 0.138 nan 8.370 nan 0.000 0.499 638 K N 1.942 122.406 120.400 0.107 0.000 2.281 638 K HA -0.134 4.185 4.320 -0.002 0.000 0.203 638 K C 0.805 177.459 176.600 0.091 0.000 1.046 638 K CA 0.795 57.137 56.287 0.092 0.000 0.938 638 K CB 0.247 32.777 32.500 0.050 0.000 0.737 638 K HN 0.415 nan 8.250 nan 0.000 0.458 639 D N 0.267 120.705 120.400 0.063 0.000 2.221 639 D HA -0.148 4.491 4.640 -0.002 0.000 0.204 639 D C 1.379 177.708 176.300 0.049 0.000 0.982 639 D CA 1.022 55.064 54.000 0.070 0.000 0.857 639 D CB -0.161 40.709 40.800 0.118 0.000 0.934 639 D HN 0.183 nan 8.370 nan 0.000 0.475 640 F N -0.090 119.960 119.950 0.167 0.000 2.186 640 F HA -0.073 4.453 4.527 -0.002 0.000 0.299 640 F C 2.508 178.315 175.800 0.013 0.000 1.090 640 F CA 0.519 58.573 58.000 0.089 0.000 1.307 640 F CB -0.142 38.915 39.000 0.094 0.000 1.019 640 F HN -0.084 nan 8.300 nan 0.000 0.489 641 M N 0.148 119.865 119.600 0.195 0.000 2.059 641 M HA -0.212 4.267 4.480 -0.002 0.000 0.259 641 M C 2.218 178.542 176.300 0.040 0.000 1.072 641 M CA 1.919 57.273 55.300 0.091 0.000 1.117 641 M CB -0.359 32.278 32.600 0.062 0.000 1.320 641 M HN 0.103 nan 8.290 nan 0.000 0.408 642 I N -0.510 120.076 120.570 0.027 0.000 2.194 642 I HA -0.328 3.841 4.170 -0.002 0.000 0.246 642 I C 2.105 178.200 176.117 -0.037 0.000 1.093 642 I CA 1.263 62.560 61.300 -0.005 0.000 1.355 642 I CB -0.429 37.573 38.000 0.003 0.000 1.046 642 I HN 0.161 nan 8.210 nan 0.000 0.413 643 V N 0.551 120.419 119.914 -0.078 0.000 2.591 643 V HA -0.166 3.953 4.120 -0.002 0.000 0.249 643 V C 2.592 178.647 176.094 -0.064 0.000 1.053 643 V CA 1.616 63.826 62.300 -0.149 0.000 1.068 643 V CB -0.770 30.812 31.823 -0.403 0.000 0.689 643 V HN 0.477 nan 8.190 nan 0.000 0.462 644 A N -0.054 122.762 122.820 -0.005 0.000 1.930 644 A HA -0.105 4.214 4.320 -0.002 0.000 0.217 644 A C 2.203 179.780 177.584 -0.012 0.000 1.175 644 A CA 1.530 53.576 52.037 0.015 0.000 0.627 644 A CB -0.410 18.611 19.000 0.035 0.000 0.815 644 A HN 0.487 nan 8.150 nan 0.000 0.443 645 L N -0.622 120.592 121.223 -0.016 0.000 2.005 645 L HA -0.164 4.175 4.340 -0.002 0.000 0.207 645 L C 2.092 178.955 176.870 -0.012 0.000 1.072 645 L CA 1.448 56.278 54.840 -0.017 0.000 0.744 645 L CB -0.726 41.323 42.059 -0.017 0.000 0.895 645 L HN 0.260 nan 8.230 nan 0.000 0.433 646 D N 0.069 120.458 120.400 -0.019 0.000 2.182 646 D HA -0.183 4.456 4.640 -0.002 0.000 0.201 646 D C 1.995 178.281 176.300 -0.024 0.000 0.986 646 D CA 1.032 55.020 54.000 -0.020 0.000 0.847 646 D CB -0.099 40.680 40.800 -0.034 0.000 0.942 646 D HN 0.128 nan 8.370 nan 0.000 0.467 647 L N 0.356 121.561 121.223 -0.030 0.000 2.072 647 L HA -0.039 4.300 4.340 -0.002 0.000 0.205 647 L C 2.044 178.893 176.870 -0.035 0.000 1.079 647 L CA 1.335 56.154 54.840 -0.035 0.000 0.752 647 L CB -0.714 41.331 42.059 -0.022 0.000 0.906 647 L HN 0.002 nan 8.230 nan 0.000 0.436 648 L N -0.309 120.904 121.223 -0.018 0.000 2.042 648 L HA -0.217 4.122 4.340 -0.002 0.000 0.210 648 L C 2.551 179.441 176.870 0.033 0.000 1.076 648 L CA 1.663 56.508 54.840 0.008 0.000 0.749 648 L CB -0.712 41.336 42.059 -0.019 0.000 0.893 648 L HN 0.512 nan 8.230 nan 0.000 0.432 649 S N -0.951 114.766 115.700 0.028 0.000 2.481 649 S HA -0.030 4.439 4.470 -0.002 0.000 0.231 649 S C 1.916 176.533 174.600 0.028 0.000 0.996 649 S CA 0.576 58.806 58.200 0.049 0.000 0.942 649 S CB -0.427 62.814 63.200 0.069 0.000 0.768 649 S HN 0.445 nan 8.310 nan 0.000 0.520 650 G N 1.451 110.247 108.800 -0.007 0.000 2.408 650 G HA2 0.045 4.004 3.960 -0.002 0.000 0.215 650 G HA3 0.045 4.004 3.960 -0.002 0.000 0.215 650 G C 1.242 176.104 174.900 -0.064 0.000 1.156 650 G CA 0.362 45.443 45.100 -0.031 0.000 0.793 650 G HN 0.436 nan 8.290 nan 0.000 0.535 651 L N 1.023 122.195 121.223 -0.084 0.000 2.240 651 L HA 0.309 4.648 4.340 -0.002 0.000 0.211 651 L C 3.005 179.851 176.870 -0.040 0.000 1.106 651 L CA 1.435 56.198 54.840 -0.128 0.000 0.793 651 L CB -0.300 41.688 42.059 -0.118 0.000 0.927 651 L HN 0.232 nan 8.230 nan 0.000 0.446 652 A N -1.132 121.698 122.820 0.017 0.000 1.968 652 A HA -0.197 4.122 4.320 -0.002 0.000 0.217 652 A C 2.278 179.886 177.584 0.041 0.000 1.169 652 A CA 1.539 53.604 52.037 0.045 0.000 0.638 652 A CB -0.372 18.675 19.000 0.078 0.000 0.812 652 A HN 0.498 nan 8.150 nan 0.000 0.446 653 E N -0.542 119.679 120.200 0.035 0.000 2.122 653 E HA 0.024 4.373 4.350 -0.002 0.000 0.190 653 E C 1.966 178.580 176.600 0.023 0.000 0.977 653 E CA 0.850 57.275 56.400 0.042 0.000 0.820 653 E CB -0.398 29.330 29.700 0.046 0.000 0.770 653 E HN 0.420 nan 8.360 nan 0.000 0.462 654 G N 0.646 109.446 108.800 -0.001 0.000 2.408 654 G HA2 -0.168 3.791 3.960 -0.002 0.000 0.217 654 G HA3 -0.168 3.791 3.960 -0.002 0.000 0.217 654 G C 1.427 176.335 174.900 0.013 0.000 1.150 654 G CA 0.836 45.937 45.100 0.000 0.000 0.776 654 G HN 0.230 nan 8.290 nan 0.000 0.542 655 L N 0.040 121.263 121.223 0.001 0.000 2.425 655 L HA 0.327 4.666 4.340 -0.002 0.000 0.215 655 L C 1.705 178.584 176.870 0.016 0.000 1.065 655 L CA 0.173 55.020 54.840 0.012 0.000 0.842 655 L CB -0.558 41.500 42.059 -0.002 0.000 1.033 655 L HN 0.208 nan 8.230 nan 0.000 0.474 656 G N 0.768 109.579 108.800 0.019 0.000 2.491 656 G HA2 -0.008 3.951 3.960 -0.002 0.000 0.246 656 G HA3 -0.008 3.951 3.960 -0.002 0.000 0.246 656 G C 1.056 175.968 174.900 0.021 0.000 0.174 656 G CA 0.669 45.785 45.100 0.026 0.000 1.114 656 G HN 0.710 nan 8.290 nan 0.000 0.515 657 G N 1.883 110.696 108.800 0.021 0.000 2.424 657 G HA2 -0.308 3.651 3.960 -0.002 0.000 0.207 657 G HA3 -0.308 3.651 3.960 -0.002 0.000 0.207 657 G C 1.216 176.123 174.900 0.012 0.000 1.061 657 G CA 0.720 45.829 45.100 0.015 0.000 0.657 657 G HN 0.792 nan 8.290 nan 0.000 0.508 658 N N 0.510 119.215 118.700 0.008 0.000 2.457 658 N HA 0.133 4.872 4.740 -0.002 0.000 0.180 658 N C 2.019 177.517 175.510 -0.020 0.000 1.050 658 N CA 1.064 54.114 53.050 -0.000 0.000 0.906 658 N CB 0.165 38.654 38.487 0.005 0.000 0.968 658 N HN 0.619 nan 8.380 nan 0.000 0.445 659 I N 1.681 122.237 120.570 -0.023 0.000 2.830 659 I HA -0.214 3.955 4.170 -0.002 0.000 0.263 659 I C 1.958 178.038 176.117 -0.062 0.000 1.230 659 I CA 0.695 61.951 61.300 -0.073 0.000 1.480 659 I CB 0.110 38.084 38.000 -0.042 0.000 1.095 659 I HN 0.063 nan 8.210 nan 0.000 0.455 660 E N 0.673 120.892 120.200 0.032 0.000 2.070 660 E HA -0.374 3.975 4.350 -0.002 0.000 0.197 660 E C 2.030 178.698 176.600 0.113 0.000 1.004 660 E CA 1.970 58.471 56.400 0.168 0.000 0.805 660 E CB -0.775 29.030 29.700 0.176 0.000 0.744 660 E HN 0.584 nan 8.360 nan 0.000 0.451 661 Q N 0.174 119.991 119.800 0.029 0.000 2.135 661 Q HA -0.140 4.199 4.340 -0.002 0.000 0.204 661 Q C 2.278 178.208 176.000 -0.116 0.000 0.981 661 Q CA 1.721 57.506 55.803 -0.031 0.000 0.856 661 Q CB -0.087 28.635 28.738 -0.027 0.000 0.902 661 Q HN 0.487 nan 8.270 nan 0.000 0.425 662 L N -0.444 120.657 121.223 -0.204 0.000 2.156 662 L HA -0.124 4.215 4.340 -0.002 0.000 0.208 662 L C 2.330 179.029 176.870 -0.286 0.000 1.095 662 L CA 0.404 55.021 54.840 -0.371 0.000 0.770 662 L CB -0.235 41.340 42.059 -0.805 0.000 0.914 662 L HN 0.090 nan 8.230 nan 0.000 0.439 663 V N 0.166 119.971 119.914 -0.182 0.000 2.358 663 V HA -0.242 3.877 4.120 -0.002 0.000 0.246 663 V C 2.769 178.812 176.094 -0.084 0.000 1.047 663 V CA 1.766 64.079 62.300 0.021 0.000 1.035 663 V CB -0.886 30.999 31.823 0.104 0.000 0.658 663 V HN 0.454 nan 8.190 nan 0.000 0.452 664 A N 0.217 122.845 122.820 -0.321 0.000 1.898 664 A HA -0.168 4.151 4.320 -0.002 0.000 0.216 664 A C 2.213 179.687 177.584 -0.183 0.000 1.181 664 A CA 1.391 53.148 52.037 -0.468 0.000 0.620 664 A CB -0.431 18.146 19.000 -0.704 0.000 0.819 664 A HN 0.514 nan 8.150 nan 0.000 0.442 665 R N 0.318 120.754 120.500 -0.107 0.000 2.346 665 R HA 0.103 4.442 4.340 -0.002 0.000 0.225 665 R C 0.028 176.345 176.300 0.028 0.000 0.987 665 R CA 0.499 56.578 56.100 -0.035 0.000 1.106 665 R CB -0.198 30.087 30.300 -0.025 0.000 1.090 665 R HN 0.644 nan 8.270 nan 0.000 0.502 666 S N -0.167 115.565 115.700 0.053 0.000 2.709 666 S HA 0.251 4.720 4.470 -0.002 0.000 0.302 666 S C -0.030 174.604 174.600 0.057 0.000 1.127 666 S CA -1.132 57.129 58.200 0.102 0.000 0.905 666 S CB 1.347 64.691 63.200 0.240 0.000 1.151 666 S HN 0.206 nan 8.310 nan 0.000 0.510 667 N N 0.075 118.803 118.700 0.047 0.000 2.380 667 N HA 0.207 4.946 4.740 -0.002 0.000 0.255 667 N C 0.656 176.192 175.510 0.043 0.000 1.158 667 N CA -0.467 52.602 53.050 0.032 0.000 0.878 667 N CB -0.314 38.182 38.487 0.014 0.000 1.138 667 N HN 0.690 nan 8.380 nan 0.000 0.509 668 I N 0.074 120.682 120.570 0.062 0.000 2.226 668 I HA -0.193 3.976 4.170 -0.002 0.000 0.245 668 I C 1.502 177.680 176.117 0.101 0.000 1.100 668 I CA 1.195 62.531 61.300 0.059 0.000 1.374 668 I CB 0.202 38.248 38.000 0.076 0.000 1.057 668 I HN 0.143 nan 8.210 nan 0.000 0.413 669 L N 0.130 121.437 121.223 0.140 0.000 2.083 669 L HA -0.208 4.131 4.340 -0.002 0.000 0.209 669 L C 2.485 179.502 176.870 0.245 0.000 1.083 669 L CA 1.782 56.770 54.840 0.246 0.000 0.752 669 L CB -0.901 41.316 42.059 0.264 0.000 0.899 669 L HN 0.261 nan 8.230 nan 0.000 0.433 670 T N 0.106 114.730 114.554 0.116 0.000 2.708 670 T HA -0.167 4.182 4.350 -0.002 0.000 0.266 670 T C 1.945 176.704 174.700 0.098 0.000 1.037 670 T CA 1.271 63.406 62.100 0.058 0.000 1.146 670 T CB -0.310 68.560 68.868 0.002 0.000 0.865 670 T HN 0.172 nan 8.240 nan 0.000 0.435 671 L N 0.198 121.470 121.223 0.082 0.000 2.046 671 L HA -0.050 4.289 4.340 -0.002 0.000 0.208 671 L C 2.762 179.687 176.870 0.090 0.000 1.077 671 L CA 1.213 56.093 54.840 0.066 0.000 0.747 671 L CB -0.591 41.485 42.059 0.029 0.000 0.896 671 L HN 0.261 nan 8.230 nan 0.000 0.432 672 M N -1.673 118.004 119.600 0.128 0.000 2.106 672 M HA -0.298 4.181 4.480 -0.002 0.000 0.259 672 M C 2.381 178.781 176.300 0.168 0.000 1.068 672 M CA 2.009 57.386 55.300 0.128 0.000 1.100 672 M CB -0.568 32.137 32.600 0.175 0.000 1.351 672 M HN 0.193 nan 8.290 nan 0.000 0.404 673 Y N 1.193 121.587 120.300 0.156 0.000 2.128 673 Y HA -0.331 4.218 4.550 -0.002 0.000 0.284 673 Y C 2.492 178.391 175.900 -0.001 0.000 1.154 673 Y CA 1.966 60.113 58.100 0.079 0.000 1.149 673 Y CB -0.186 38.226 38.460 -0.080 0.000 0.976 673 Y HN 0.256 nan 8.280 nan 0.000 0.505 674 Q N -1.173 118.753 119.800 0.210 0.000 2.096 674 Q HA -0.258 4.081 4.340 -0.002 0.000 0.204 674 Q C 2.395 178.384 176.000 -0.018 0.000 0.982 674 Q CA 1.848 57.712 55.803 0.103 0.000 0.850 674 Q CB -0.516 28.267 28.738 0.075 0.000 0.901 674 Q HN 0.534 nan 8.270 nan 0.000 0.422 675 C N 0.237 119.509 119.300 -0.047 0.000 2.419 675 C HA -0.099 4.360 4.460 -0.002 0.000 0.281 675 C C 2.463 177.320 174.990 -0.223 0.000 1.336 675 C CA 0.604 59.556 59.018 -0.111 0.000 1.770 675 C CB -0.778 26.899 27.740 -0.104 0.000 1.929 675 C HN 0.515 nan 8.230 nan 0.000 0.509 676 M N -0.031 119.385 119.600 -0.307 0.000 2.476 676 M HA -0.112 4.367 4.480 -0.002 0.000 0.262 676 M C 2.136 178.269 176.300 -0.279 0.000 1.079 676 M CA 1.274 56.288 55.300 -0.478 0.000 1.104 676 M CB -0.354 31.907 32.600 -0.565 0.000 1.409 676 M HN 0.475 nan 8.290 nan 0.000 0.467 677 Q N -0.178 119.504 119.800 -0.196 0.000 2.354 677 Q HA 0.002 4.341 4.340 -0.002 0.000 0.203 677 Q C 0.473 176.423 176.000 -0.083 0.000 0.933 677 Q CA 0.011 55.749 55.803 -0.108 0.000 0.901 677 Q CB 0.181 28.898 28.738 -0.037 0.000 1.007 677 Q HN 0.372 nan 8.270 nan 0.000 0.495 678 D N 1.256 121.599 120.400 -0.095 0.000 2.515 678 D HA -0.115 4.524 4.640 -0.002 0.000 0.232 678 D C 0.442 176.691 176.300 -0.085 0.000 1.157 678 D CA 0.679 54.634 54.000 -0.076 0.000 0.871 678 D CB 0.866 41.618 40.800 -0.080 0.000 1.200 678 D HN 0.081 nan 8.370 nan 0.000 0.466 679 K N 2.143 122.506 120.400 -0.060 0.000 2.217 679 K HA -0.038 4.281 4.320 -0.002 0.000 0.202 679 K C 1.103 177.652 176.600 -0.085 0.000 1.051 679 K CA 0.464 56.714 56.287 -0.061 0.000 0.952 679 K CB 0.108 32.594 32.500 -0.023 0.000 0.736 679 K HN 0.426 nan 8.250 nan 0.000 0.453 680 M N 2.233 121.791 119.600 -0.071 0.000 2.105 680 M HA 0.096 4.575 4.480 -0.002 0.000 0.350 680 M C -2.119 174.123 176.300 -0.097 0.000 1.308 680 M CA -2.478 52.787 55.300 -0.059 0.000 1.108 680 M CB 1.081 33.667 32.600 -0.023 0.000 1.622 680 M HN -0.170 nan 8.290 nan 0.000 0.468 681 P HA -0.205 nan 4.420 nan 0.000 0.216 681 P C 0.404 177.684 177.300 -0.034 0.000 1.154 681 P CA 1.543 64.562 63.100 -0.136 0.000 0.865 681 P CB 0.194 31.881 31.700 -0.021 0.000 0.789 682 E N -0.948 119.252 120.200 -0.001 0.000 2.118 682 E HA -0.125 4.224 4.350 -0.002 0.000 0.195 682 E C 1.928 178.522 176.600 -0.010 0.000 0.992 682 E CA 0.988 57.395 56.400 0.012 0.000 0.804 682 E CB -1.053 28.660 29.700 0.022 0.000 0.741 682 E HN 0.091 nan 8.360 nan 0.000 0.458 683 V N 0.458 120.350 119.914 -0.036 0.000 2.407 683 V HA -0.144 3.975 4.120 -0.002 0.000 0.245 683 V C 2.130 178.156 176.094 -0.115 0.000 1.041 683 V CA 1.453 63.718 62.300 -0.058 0.000 1.040 683 V CB -0.385 31.404 31.823 -0.055 0.000 0.671 683 V HN 0.171 nan 8.190 nan 0.000 0.455 684 R N 0.142 120.555 120.500 -0.144 0.000 2.083 684 R HA -0.232 4.107 4.340 -0.002 0.000 0.237 684 R C 2.442 178.626 176.300 -0.194 0.000 1.137 684 R CA 1.906 57.848 56.100 -0.264 0.000 0.951 684 R CB -0.489 29.708 30.300 -0.171 0.000 0.851 684 R HN 0.632 nan 8.270 nan 0.000 0.434 685 Q N 0.641 120.450 119.800 0.015 0.000 2.077 685 Q HA -0.175 4.164 4.340 -0.002 0.000 0.206 685 Q C 1.871 177.923 176.000 0.086 0.000 0.989 685 Q CA 2.145 58.025 55.803 0.128 0.000 0.853 685 Q CB -0.025 28.771 28.738 0.096 0.000 0.907 685 Q HN 0.184 nan 8.270 nan 0.000 0.418 686 S N 0.483 116.190 115.700 0.011 0.000 2.383 686 S HA -0.118 4.351 4.470 -0.002 0.000 0.227 686 S C 2.057 176.658 174.600 0.001 0.000 1.026 686 S CA 1.269 59.474 58.200 0.010 0.000 0.981 686 S CB -0.147 63.046 63.200 -0.011 0.000 0.818 686 S HN 0.651 nan 8.310 nan 0.000 0.472 687 S N 0.816 116.463 115.700 -0.088 0.000 2.395 687 S HA 0.084 4.553 4.470 -0.002 0.000 0.225 687 S C 1.618 176.179 174.600 -0.065 0.000 1.027 687 S CA 0.460 58.586 58.200 -0.124 0.000 0.965 687 S CB -0.847 62.210 63.200 -0.238 0.000 0.812 687 S HN 0.522 nan 8.310 nan 0.000 0.482 688 F N 2.481 122.445 119.950 0.024 0.000 2.134 688 F HA -0.039 4.487 4.527 -0.002 0.000 0.299 688 F C 2.997 178.870 175.800 0.122 0.000 1.097 688 F CA 0.634 58.655 58.000 0.036 0.000 1.264 688 F CB -0.470 38.563 39.000 0.054 0.000 1.001 688 F HN 0.306 nan 8.300 nan 0.000 0.479 689 A N 0.091 123.121 122.820 0.349 0.000 1.908 689 A HA -0.224 4.095 4.320 -0.002 0.000 0.218 689 A C 2.007 179.786 177.584 0.326 0.000 1.181 689 A CA 1.654 53.916 52.037 0.374 0.000 0.627 689 A CB -0.996 18.112 19.000 0.180 0.000 0.818 689 A HN 0.367 nan 8.150 nan 0.000 0.445 690 L N -0.863 120.459 121.223 0.165 0.000 2.141 690 L HA -0.060 4.279 4.340 -0.002 0.000 0.209 690 L C 2.151 179.058 176.870 0.062 0.000 1.094 690 L CA 1.772 56.673 54.840 0.103 0.000 0.763 690 L CB -0.622 41.465 42.059 0.046 0.000 0.908 690 L HN 0.346 nan 8.230 nan 0.000 0.437 691 L N -0.122 121.112 121.223 0.020 0.000 2.017 691 L HA 0.002 4.341 4.340 -0.002 0.000 0.208 691 L C 2.338 179.145 176.870 -0.106 0.000 1.073 691 L CA 2.125 56.897 54.840 -0.113 0.000 0.745 691 L CB -1.515 40.436 42.059 -0.180 0.000 0.894 691 L HN 0.287 nan 8.230 nan 0.000 0.432 692 G N -1.004 107.749 108.800 -0.078 0.000 2.459 692 G HA2 -0.285 3.674 3.960 -0.002 0.000 0.217 692 G HA3 -0.285 3.674 3.960 -0.002 0.000 0.217 692 G C 1.281 176.082 174.900 -0.165 0.000 1.183 692 G CA 0.908 45.749 45.100 -0.432 0.000 0.776 692 G HN 0.454 nan 8.290 nan 0.000 0.552 693 D N 0.260 120.752 120.400 0.153 0.000 2.178 693 D HA -0.021 4.618 4.640 -0.002 0.000 0.202 693 D C 2.593 178.945 176.300 0.086 0.000 0.974 693 D CA 0.372 54.481 54.000 0.181 0.000 0.841 693 D CB -0.082 40.840 40.800 0.202 0.000 0.953 693 D HN 0.299 nan 8.370 nan 0.000 0.478 694 L N 0.503 121.759 121.223 0.055 0.000 2.131 694 L HA -0.095 4.244 4.340 -0.002 0.000 0.206 694 L C 2.439 179.350 176.870 0.068 0.000 1.087 694 L CA 0.896 55.770 54.840 0.057 0.000 0.767 694 L CB -0.470 41.616 42.059 0.045 0.000 0.917 694 L HN -0.020 nan 8.230 nan 0.000 0.441 695 T N -0.115 114.464 114.554 0.041 0.000 2.699 695 T HA -0.259 4.090 4.350 -0.002 0.000 0.268 695 T C 1.888 176.634 174.700 0.077 0.000 1.036 695 T CA 1.613 63.794 62.100 0.135 0.000 1.147 695 T CB -0.095 68.759 68.868 -0.022 0.000 0.862 695 T HN 0.291 nan 8.240 nan 0.000 0.446 696 K N 0.691 121.091 120.400 -0.001 0.000 2.044 696 K HA 0.209 4.528 4.320 -0.002 0.000 0.204 696 K C 2.694 179.315 176.600 0.035 0.000 1.049 696 K CA 0.942 57.227 56.287 -0.004 0.000 0.945 696 K CB -0.222 32.286 32.500 0.012 0.000 0.724 696 K HN 0.253 nan 8.250 nan 0.000 0.440 697 A N 1.034 123.887 122.820 0.054 0.000 1.855 697 A HA -0.119 4.200 4.320 -0.002 0.000 0.215 697 A C 1.381 178.995 177.584 0.050 0.000 1.191 697 A CA 1.378 53.446 52.037 0.052 0.000 0.613 697 A CB -0.438 18.597 19.000 0.059 0.000 0.829 697 A HN 0.580 nan 8.150 nan 0.000 0.442 698 C N -4.072 115.268 119.300 0.067 0.000 3.452 698 C HA 0.641 5.100 4.460 -0.002 0.000 0.251 698 C C 0.684 175.690 174.990 0.027 0.000 1.160 698 C CA -0.955 58.078 59.018 0.024 0.000 1.328 698 C CB -1.444 26.319 27.740 0.039 0.000 1.819 698 C HN 0.403 nan 8.230 nan 0.000 0.543 699 F N 3.121 123.019 119.950 -0.086 0.000 2.365 699 F HA -0.108 4.418 4.527 -0.002 0.000 0.300 699 F C 2.676 178.428 175.800 -0.081 0.000 1.090 699 F CA 2.166 60.125 58.000 -0.068 0.000 1.408 699 F CB 0.245 39.210 39.000 -0.058 0.000 1.060 699 F HN 0.695 nan 8.300 nan 0.000 0.534 700 Q N -0.432 119.268 119.800 -0.168 0.000 2.197 700 Q HA -0.258 4.081 4.340 -0.002 0.000 0.207 700 Q C 1.240 177.075 176.000 -0.275 0.000 0.984 700 Q CA 1.998 57.644 55.803 -0.262 0.000 0.869 700 Q CB -1.220 27.341 28.738 -0.295 0.000 0.906 700 Q HN 0.477 nan 8.270 nan 0.000 0.426 701 H N -0.105 118.902 119.070 -0.105 0.000 2.544 701 H HA 0.188 4.743 4.556 -0.002 0.000 0.269 701 H C 2.135 177.392 175.328 -0.119 0.000 0.970 701 H CA 0.731 56.731 56.048 -0.081 0.000 1.219 701 H CB 0.423 30.172 29.762 -0.022 0.000 1.421 701 H HN 0.118 nan 8.280 nan 0.000 0.555 702 V N 0.713 120.527 119.914 -0.167 0.000 2.725 702 V HA -0.101 4.018 4.120 -0.002 0.000 0.247 702 V C 2.527 178.393 176.094 -0.379 0.000 1.058 702 V CA 0.998 63.170 62.300 -0.213 0.000 1.080 702 V CB -0.128 31.566 31.823 -0.215 0.000 0.713 702 V HN 0.202 nan 8.190 nan 0.000 0.465 703 K N 0.886 120.822 120.400 -0.773 0.000 2.020 703 K HA -0.202 4.117 4.320 -0.002 0.000 0.212 703 K C -0.322 176.157 176.600 -0.202 0.000 1.050 703 K CA 2.110 58.005 56.287 -0.653 0.000 0.929 703 K CB -1.126 31.023 32.500 -0.585 0.000 0.714 703 K HN 0.368 nan 8.250 nan 0.000 0.443 704 P HA -0.132 nan 4.420 nan 0.000 0.222 704 P C 0.378 177.672 177.300 -0.010 0.000 1.142 704 P CA 1.036 64.115 63.100 -0.034 0.000 0.788 704 P CB 0.032 31.723 31.700 -0.016 0.000 0.767 705 C N -2.773 116.540 119.300 0.022 0.000 3.070 705 C HA 0.282 4.741 4.460 -0.002 0.000 0.280 705 C C 2.378 177.444 174.990 0.125 0.000 1.264 705 C CA -0.373 58.680 59.018 0.058 0.000 1.690 705 C CB -1.222 26.651 27.740 0.220 0.000 2.049 705 C HN 0.203 nan 8.230 nan 0.000 0.636 706 I N 1.889 122.517 120.570 0.097 0.000 2.361 706 I HA -0.205 3.964 4.170 -0.002 0.000 0.251 706 I C 2.725 178.775 176.117 -0.111 0.000 1.133 706 I CA 1.496 62.817 61.300 0.035 0.000 1.413 706 I CB -0.216 37.729 38.000 -0.092 0.000 1.073 706 I HN 0.328 nan 8.210 nan 0.000 0.424 707 A N 0.401 123.198 122.820 -0.039 0.000 1.917 707 A HA -0.282 4.037 4.320 -0.002 0.000 0.219 707 A C 1.994 179.626 177.584 0.080 0.000 1.182 707 A CA 2.282 54.383 52.037 0.107 0.000 0.633 707 A CB -0.590 18.507 19.000 0.163 0.000 0.819 707 A HN 0.406 nan 8.150 nan 0.000 0.448 708 D N -1.493 118.909 120.400 0.004 0.000 2.162 708 D HA -0.026 4.613 4.640 -0.002 0.000 0.203 708 D C 1.687 178.026 176.300 0.066 0.000 0.967 708 D CA 0.945 54.929 54.000 -0.027 0.000 0.840 708 D CB -0.262 40.400 40.800 -0.229 0.000 0.972 708 D HN 0.559 nan 8.370 nan 0.000 0.482 709 F N 0.656 120.689 119.950 0.138 0.000 2.206 709 F HA -0.085 4.441 4.527 -0.002 0.000 0.298 709 F C 2.522 178.359 175.800 0.062 0.000 1.090 709 F CA 0.334 58.408 58.000 0.122 0.000 1.323 709 F CB -0.043 39.005 39.000 0.081 0.000 1.028 709 F HN -0.168 nan 8.300 nan 0.000 0.492 710 M N 0.480 120.183 119.600 0.171 0.000 2.080 710 M HA -0.128 4.351 4.480 -0.002 0.000 0.260 710 M C -0.482 175.888 176.300 0.117 0.000 1.068 710 M CA 1.778 57.129 55.300 0.085 0.000 1.109 710 M CB -2.482 30.110 32.600 -0.014 0.000 1.342 710 M HN -0.039 nan 8.290 nan 0.000 0.405 711 P HA -0.069 nan 4.420 nan 0.000 0.223 711 P C 1.928 179.292 177.300 0.106 0.000 1.151 711 P CA 1.152 64.325 63.100 0.123 0.000 0.787 711 P CB -0.052 31.726 31.700 0.129 0.000 0.788 712 I N -0.698 119.945 120.570 0.121 0.000 2.286 712 I HA -0.164 4.005 4.170 -0.002 0.000 0.245 712 I C 2.428 178.629 176.117 0.139 0.000 1.104 712 I CA 1.077 62.442 61.300 0.108 0.000 1.397 712 I CB -0.419 37.584 38.000 0.004 0.000 1.072 712 I HN -0.099 nan 8.210 nan 0.000 0.417 713 L N 0.304 121.581 121.223 0.090 0.000 2.046 713 L HA -0.141 4.198 4.340 -0.002 0.000 0.208 713 L C 2.651 179.467 176.870 -0.090 0.000 1.077 713 L CA 1.586 56.348 54.840 -0.131 0.000 0.747 713 L CB -1.062 40.928 42.059 -0.115 0.000 0.896 713 L HN 0.264 nan 8.230 nan 0.000 0.432 714 G N -0.193 108.610 108.800 0.004 0.000 2.459 714 G HA2 -0.292 3.667 3.960 -0.002 0.000 0.217 714 G HA3 -0.292 3.667 3.960 -0.002 0.000 0.217 714 G C 1.633 176.554 174.900 0.034 0.000 1.183 714 G CA 1.430 46.546 45.100 0.027 0.000 0.776 714 G HN 0.447 nan 8.290 nan 0.000 0.552 715 T N -0.626 113.959 114.554 0.051 0.000 2.915 715 T HA -0.049 4.300 4.350 -0.002 0.000 0.269 715 T C 1.887 176.627 174.700 0.067 0.000 1.071 715 T CA 1.049 63.187 62.100 0.063 0.000 1.132 715 T CB -0.154 68.756 68.868 0.070 0.000 0.878 715 T HN 0.200 nan 8.240 nan 0.000 0.479 716 N N 0.988 119.715 118.700 0.045 0.000 2.461 716 N HA 0.154 4.893 4.740 -0.002 0.000 0.188 716 N C 0.077 175.588 175.510 0.001 0.000 1.134 716 N CA 0.100 53.175 53.050 0.042 0.000 0.878 716 N CB -0.057 38.462 38.487 0.053 0.000 0.972 716 N HN 0.466 nan 8.380 nan 0.000 0.456 717 L N 1.753 122.973 121.223 -0.004 0.000 2.376 717 L HA 0.112 4.451 4.340 -0.002 0.000 0.250 717 L C 0.062 176.969 176.870 0.061 0.000 1.335 717 L CA -0.208 54.639 54.840 0.012 0.000 1.214 717 L CB -0.815 41.246 42.059 0.003 0.000 1.395 717 L HN -0.061 nan 8.230 nan 0.000 0.424 718 N N 1.430 120.193 118.700 0.105 0.000 2.491 718 N HA 0.337 5.076 4.740 -0.002 0.000 0.274 718 N C -1.984 173.602 175.510 0.127 0.000 1.023 718 N CA -1.905 51.227 53.050 0.137 0.000 0.902 718 N CB 2.068 40.691 38.487 0.226 0.000 1.267 718 N HN -0.148 nan 8.380 nan 0.000 0.503 719 P HA -0.111 nan 4.420 nan 0.000 0.219 719 P C 0.726 178.012 177.300 -0.023 0.000 1.146 719 P CA 0.938 64.056 63.100 0.029 0.000 0.808 719 P CB 0.386 32.094 31.700 0.014 0.000 0.779 720 E N -0.593 119.546 120.200 -0.103 0.000 2.114 720 E HA -0.163 4.186 4.350 -0.002 0.000 0.199 720 E C 0.291 176.611 176.600 -0.467 0.000 1.008 720 E CA 1.116 57.309 56.400 -0.344 0.000 0.810 720 E CB -0.580 28.787 29.700 -0.555 0.000 0.739 720 E HN 0.407 nan 8.360 nan 0.000 0.456 721 F N 0.618 120.590 119.950 0.037 0.000 2.318 721 F HA 0.261 4.787 4.527 -0.002 0.000 0.356 721 F C 1.469 177.295 175.800 0.042 0.000 1.109 721 F CA -0.503 57.523 58.000 0.043 0.000 1.234 721 F CB -0.002 39.032 39.000 0.057 0.000 1.545 721 F HN -0.171 nan 8.300 nan 0.000 0.534 722 I N 0.035 120.679 120.570 0.125 0.000 2.113 722 I HA -0.373 3.796 4.170 -0.002 0.000 0.242 722 I C 2.612 178.792 176.117 0.106 0.000 1.064 722 I CA 1.753 63.106 61.300 0.088 0.000 1.320 722 I CB -0.443 37.587 38.000 0.049 0.000 1.028 722 I HN 0.541 nan 8.210 nan 0.000 0.406 723 S N 0.054 115.825 115.700 0.118 0.000 2.402 723 S HA -0.105 4.364 4.470 -0.002 0.000 0.229 723 S C 2.007 176.685 174.600 0.130 0.000 1.021 723 S CA 1.184 59.445 58.200 0.102 0.000 0.974 723 S CB -0.184 63.071 63.200 0.090 0.000 0.800 723 S HN 0.233 nan 8.310 nan 0.000 0.484 724 V N 0.491 120.511 119.914 0.176 0.000 2.283 724 V HA -0.147 3.972 4.120 -0.002 0.000 0.243 724 V C 2.654 178.838 176.094 0.150 0.000 1.039 724 V CA 1.658 64.082 62.300 0.207 0.000 1.016 724 V CB -1.132 30.816 31.823 0.208 0.000 0.650 724 V HN 0.736 nan 8.190 nan 0.000 0.449 725 C N 0.403 119.782 119.300 0.132 0.000 2.385 725 C HA -0.265 4.194 4.460 -0.002 0.000 0.275 725 C C 2.707 177.723 174.990 0.044 0.000 1.207 725 C CA 2.085 61.143 59.018 0.067 0.000 1.760 725 C CB -1.717 26.076 27.740 0.088 0.000 2.051 725 C HN 0.714 nan 8.230 nan 0.000 0.467 726 N N 0.130 118.873 118.700 0.071 0.000 2.011 726 N HA -0.196 4.543 4.740 -0.002 0.000 0.199 726 N C 1.288 176.866 175.510 0.113 0.000 1.047 726 N CA 2.122 55.216 53.050 0.073 0.000 0.863 726 N CB -0.307 38.212 38.487 0.054 0.000 1.056 726 N HN 0.568 nan 8.380 nan 0.000 0.427 727 N N 0.582 119.364 118.700 0.136 0.000 2.223 727 N HA -0.077 4.662 4.740 -0.002 0.000 0.185 727 N C 1.427 177.045 175.510 0.180 0.000 1.016 727 N CA 1.005 54.203 53.050 0.246 0.000 0.863 727 N CB -0.454 38.200 38.487 0.279 0.000 0.983 727 N HN 0.318 nan 8.380 nan 0.000 0.429 728 A N 0.235 122.999 122.820 -0.094 0.000 1.872 728 A HA -0.075 4.244 4.320 -0.002 0.000 0.214 728 A C 2.289 179.766 177.584 -0.178 0.000 1.187 728 A CA 1.804 53.582 52.037 -0.432 0.000 0.614 728 A CB -1.061 17.481 19.000 -0.764 0.000 0.826 728 A HN 0.286 nan 8.150 nan 0.000 0.442 729 T N -1.306 113.213 114.554 -0.058 0.000 2.684 729 T HA -0.232 4.117 4.350 -0.002 0.000 0.267 729 T C 1.516 176.253 174.700 0.062 0.000 1.036 729 T CA 1.606 63.706 62.100 0.001 0.000 1.148 729 T CB -0.427 68.464 68.868 0.039 0.000 0.863 729 T HN 0.735 nan 8.240 nan 0.000 0.436 730 W N 2.334 123.605 121.300 -0.048 0.000 2.335 730 W HA -0.099 4.560 4.660 -0.002 0.000 0.311 730 W C 2.599 179.098 176.519 -0.033 0.000 1.213 730 W CA 1.171 58.500 57.345 -0.028 0.000 1.274 730 W CB -0.799 28.654 29.460 -0.012 0.000 1.148 730 W HN 0.257 nan 8.180 nan 0.000 0.498 731 A N 0.435 123.132 122.820 -0.205 0.000 1.908 731 A HA -0.206 4.113 4.320 -0.002 0.000 0.218 731 A C 2.075 179.470 177.584 -0.316 0.000 1.181 731 A CA 2.187 53.981 52.037 -0.405 0.000 0.627 731 A CB -1.071 17.826 19.000 -0.172 0.000 0.818 731 A HN 0.420 nan 8.150 nan 0.000 0.445 732 I N -0.303 120.149 120.570 -0.197 0.000 2.099 732 I HA -0.258 3.911 4.170 -0.002 0.000 0.239 732 I C 2.784 178.810 176.117 -0.152 0.000 1.066 732 I CA 1.344 62.560 61.300 -0.139 0.000 1.324 732 I CB -0.883 37.065 38.000 -0.087 0.000 1.037 732 I HN 0.392 nan 8.210 nan 0.000 0.401 733 G N 0.362 109.072 108.800 -0.150 0.000 2.476 733 G HA2 -0.257 3.702 3.960 -0.002 0.000 0.218 733 G HA3 -0.257 3.702 3.960 -0.002 0.000 0.218 733 G C 1.560 176.335 174.900 -0.209 0.000 1.164 733 G CA 0.755 45.776 45.100 -0.131 0.000 0.768 733 G HN 0.312 nan 8.290 nan 0.000 0.560 734 E N 0.281 120.251 120.200 -0.383 0.000 2.106 734 E HA -0.034 4.315 4.350 -0.002 0.000 0.192 734 E C 2.614 179.023 176.600 -0.319 0.000 0.984 734 E CA 0.404 56.556 56.400 -0.412 0.000 0.806 734 E CB -0.161 29.118 29.700 -0.702 0.000 0.750 734 E HN 0.545 nan 8.360 nan 0.000 0.458 735 I N 1.311 121.720 120.570 -0.268 0.000 2.202 735 I HA -0.273 3.896 4.170 -0.002 0.000 0.242 735 I C 2.639 178.637 176.117 -0.197 0.000 1.091 735 I CA 1.376 62.560 61.300 -0.193 0.000 1.368 735 I CB -0.361 37.588 38.000 -0.084 0.000 1.058 735 I HN 0.076 nan 8.210 nan 0.000 0.410 736 S N 1.288 116.912 115.700 -0.126 0.000 2.383 736 S HA -0.200 4.269 4.470 -0.002 0.000 0.229 736 S C 2.037 176.587 174.600 -0.083 0.000 1.030 736 S CA 1.139 59.300 58.200 -0.065 0.000 1.002 736 S CB -0.909 62.276 63.200 -0.024 0.000 0.829 736 S HN 0.408 nan 8.310 nan 0.000 0.467 737 I N 1.418 121.915 120.570 -0.123 0.000 2.163 737 I HA -0.202 3.967 4.170 -0.002 0.000 0.243 737 I C 3.044 179.042 176.117 -0.197 0.000 1.085 737 I CA 1.579 62.810 61.300 -0.114 0.000 1.347 737 I CB -0.412 37.509 38.000 -0.132 0.000 1.044 737 I HN 0.375 nan 8.210 nan 0.000 0.408 738 Q N -0.313 119.244 119.800 -0.404 0.000 2.167 738 Q HA -0.117 4.222 4.340 -0.002 0.000 0.202 738 Q C 2.238 177.944 176.000 -0.491 0.000 0.970 738 Q CA 1.216 56.605 55.803 -0.689 0.000 0.855 738 Q CB -0.107 27.637 28.738 -1.657 0.000 0.911 738 Q HN 0.508 nan 8.270 nan 0.000 0.438 739 M N -0.827 118.597 119.600 -0.292 0.000 2.193 739 M HA 0.020 4.499 4.480 -0.002 0.000 0.265 739 M C 1.295 177.605 176.300 0.016 0.000 1.071 739 M CA 1.379 56.669 55.300 -0.016 0.000 1.140 739 M CB -0.862 31.790 32.600 0.086 0.000 1.369 739 M HN 0.276 nan 8.290 nan 0.000 0.423 740 G N 1.190 109.986 108.800 -0.006 0.000 2.498 740 G HA2 -0.312 3.647 3.960 -0.002 0.000 0.245 740 G HA3 -0.312 3.647 3.960 -0.002 0.000 0.245 740 G C 0.583 175.496 174.900 0.022 0.000 1.204 740 G CA 0.084 45.190 45.100 0.011 0.000 0.933 740 G HN 0.410 nan 8.290 nan 0.000 0.574 741 I N 0.243 120.819 120.570 0.010 0.000 2.335 741 I HA -0.030 4.139 4.170 -0.002 0.000 0.251 741 I C 2.331 178.468 176.117 0.034 0.000 1.129 741 I CA 2.422 63.726 61.300 0.007 0.000 1.402 741 I CB -0.587 37.410 38.000 -0.006 0.000 1.069 741 I HN 0.607 nan 8.210 nan 0.000 0.424 742 E N 0.734 120.972 120.200 0.063 0.000 2.331 742 E HA -0.253 4.096 4.350 -0.002 0.000 0.199 742 E C 2.015 178.718 176.600 0.171 0.000 1.008 742 E CA 1.239 57.701 56.400 0.104 0.000 0.843 742 E CB -0.290 29.492 29.700 0.137 0.000 0.761 742 E HN 0.470 nan 8.360 nan 0.000 0.507 743 M N 0.846 120.547 119.600 0.167 0.000 2.460 743 M HA -0.170 4.309 4.480 -0.002 0.000 0.263 743 M C 1.752 178.153 176.300 0.168 0.000 1.071 743 M CA 1.380 56.826 55.300 0.244 0.000 1.096 743 M CB 0.016 32.698 32.600 0.136 0.000 1.408 743 M HN -0.002 nan 8.290 nan 0.000 0.463 744 Q N 0.296 120.128 119.800 0.053 0.000 2.065 744 Q HA -0.233 4.106 4.340 -0.002 0.000 0.213 744 Q C -0.706 175.250 176.000 -0.074 0.000 1.012 744 Q CA 2.682 58.478 55.803 -0.012 0.000 0.876 744 Q CB -1.552 27.167 28.738 -0.031 0.000 0.954 744 Q HN 0.406 nan 8.270 nan 0.000 0.413 745 P HA -0.151 nan 4.420 nan 0.000 0.220 745 P C 0.108 177.220 177.300 -0.312 0.000 1.148 745 P CA 1.326 64.220 63.100 -0.343 0.000 0.803 745 P CB -0.115 31.230 31.700 -0.592 0.000 0.782 746 Y N -2.031 118.291 120.300 0.036 0.000 2.490 746 Y HA 0.167 4.716 4.550 -0.002 0.000 0.281 746 Y C 1.986 177.903 175.900 0.029 0.000 1.174 746 Y CA -0.150 57.975 58.100 0.041 0.000 1.295 746 Y CB -0.710 37.780 38.460 0.051 0.000 1.062 746 Y HN -0.087 nan 8.280 nan 0.000 0.522 747 I N 0.541 121.177 120.570 0.111 0.000 2.333 747 I HA -0.085 4.084 4.170 -0.002 0.000 0.246 747 I C -0.667 175.478 176.117 0.046 0.000 1.106 747 I CA 0.374 61.709 61.300 0.059 0.000 1.411 747 I CB -1.083 36.927 38.000 0.017 0.000 1.082 747 I HN 0.072 nan 8.210 nan 0.000 0.420 748 P HA -0.181 nan 4.420 nan 0.000 0.216 748 P C 1.717 179.131 177.300 0.190 0.000 1.150 748 P CA 1.522 64.705 63.100 0.138 0.000 0.837 748 P CB -0.227 31.545 31.700 0.120 0.000 0.786 749 M N -3.487 116.194 119.600 0.135 0.000 2.686 749 M HA 0.052 4.531 4.480 -0.002 0.000 0.246 749 M C 0.737 177.106 176.300 0.117 0.000 1.096 749 M CA 1.404 56.781 55.300 0.129 0.000 1.076 749 M CB -0.315 32.360 32.600 0.125 0.000 1.504 749 M HN -0.237 nan 8.290 nan 0.000 0.524 750 V N -0.864 119.112 119.914 0.102 0.000 3.141 750 V HA 0.003 4.122 4.120 -0.002 0.000 0.225 750 V C 1.787 177.895 176.094 0.024 0.000 1.352 750 V CA 0.147 62.482 62.300 0.058 0.000 1.316 750 V CB 0.242 32.090 31.823 0.042 0.000 1.126 750 V HN 0.412 nan 8.190 nan 0.000 0.493 751 L N 0.767 121.970 121.223 -0.033 0.000 1.990 751 L HA -0.209 4.130 4.340 -0.002 0.000 0.213 751 L C 2.505 179.296 176.870 -0.131 0.000 1.072 751 L CA 2.378 57.133 54.840 -0.141 0.000 0.755 751 L CB -0.996 40.909 42.059 -0.256 0.000 0.889 751 L HN 0.454 nan 8.230 nan 0.000 0.432 752 H N -0.680 118.405 119.070 0.025 0.000 2.387 752 H HA -0.157 4.398 4.556 -0.002 0.000 0.299 752 H C 2.185 177.533 175.328 0.034 0.000 1.099 752 H CA 1.884 57.953 56.048 0.035 0.000 1.315 752 H CB -0.118 29.664 29.762 0.035 0.000 1.380 752 H HN 0.597 nan 8.280 nan 0.000 0.513 753 Q N 0.287 120.172 119.800 0.142 0.000 2.079 753 Q HA -0.066 4.273 4.340 -0.002 0.000 0.200 753 Q C 2.678 178.713 176.000 0.057 0.000 0.974 753 Q CA 0.681 56.537 55.803 0.089 0.000 0.840 753 Q CB 0.070 28.851 28.738 0.073 0.000 0.898 753 Q HN 0.413 nan 8.270 nan 0.000 0.430 754 L N -0.053 121.187 121.223 0.029 0.000 2.046 754 L HA -0.177 4.162 4.340 -0.002 0.000 0.208 754 L C 2.373 179.255 176.870 0.019 0.000 1.077 754 L CA 0.787 55.630 54.840 0.007 0.000 0.747 754 L CB -0.499 41.538 42.059 -0.037 0.000 0.896 754 L HN 0.088 nan 8.230 nan 0.000 0.432 755 V N -0.441 119.485 119.914 0.021 0.000 2.392 755 V HA -0.271 3.848 4.120 -0.002 0.000 0.249 755 V C 2.545 178.699 176.094 0.099 0.000 1.059 755 V CA 1.697 64.046 62.300 0.081 0.000 1.051 755 V CB -0.502 31.388 31.823 0.112 0.000 0.658 755 V HN 0.459 nan 8.190 nan 0.000 0.455 756 E N -0.056 120.196 120.200 0.087 0.000 2.106 756 E HA -0.170 4.179 4.350 -0.002 0.000 0.192 756 E C 2.178 178.818 176.600 0.067 0.000 0.984 756 E CA 1.354 57.801 56.400 0.079 0.000 0.806 756 E CB -0.067 29.679 29.700 0.077 0.000 0.750 756 E HN 0.614 nan 8.360 nan 0.000 0.458 757 I N 0.617 121.224 120.570 0.061 0.000 2.233 757 I HA -0.231 3.938 4.170 -0.002 0.000 0.243 757 I C 2.622 178.775 176.117 0.061 0.000 1.093 757 I CA 0.639 61.971 61.300 0.054 0.000 1.380 757 I CB -0.134 37.894 38.000 0.047 0.000 1.067 757 I HN 0.086 nan 8.210 nan 0.000 0.413 758 I N 0.878 121.493 120.570 0.075 0.000 2.493 758 I HA -0.268 3.901 4.170 -0.002 0.000 0.254 758 I C 1.944 178.119 176.117 0.096 0.000 1.160 758 I CA 1.346 62.702 61.300 0.094 0.000 1.445 758 I CB -0.178 37.900 38.000 0.131 0.000 1.086 758 I HN 0.304 nan 8.210 nan 0.000 0.433 759 N N 0.695 119.450 118.700 0.091 0.000 2.424 759 N HA 0.005 4.744 4.740 -0.002 0.000 0.178 759 N C 0.343 175.885 175.510 0.055 0.000 1.060 759 N CA 0.180 53.276 53.050 0.076 0.000 0.901 759 N CB 0.090 38.624 38.487 0.078 0.000 0.979 759 N HN 0.291 nan 8.380 nan 0.000 0.451 760 R N 1.634 122.164 120.500 0.051 0.000 2.484 760 R HA 0.019 4.358 4.340 -0.002 0.000 0.293 760 R C -1.339 174.981 176.300 0.035 0.000 1.023 760 R CA -1.143 54.980 56.100 0.039 0.000 1.037 760 R CB 0.649 30.970 30.300 0.035 0.000 0.951 760 R HN 0.048 nan 8.270 nan 0.000 0.418 761 P HA -0.123 nan 4.420 nan 0.000 0.213 761 P C -0.210 177.105 177.300 0.025 0.000 1.170 761 P CA 1.375 64.491 63.100 0.026 0.000 0.898 761 P CB 0.238 31.950 31.700 0.020 0.000 0.787 762 N N -0.955 117.757 118.700 0.020 0.000 3.170 762 N HA 0.144 4.883 4.740 -0.002 0.000 0.305 762 N C -1.033 174.487 175.510 0.017 0.000 1.499 762 N CA 0.124 53.184 53.050 0.018 0.000 1.110 762 N CB -0.388 38.106 38.487 0.012 0.000 1.390 762 N HN -0.043 nan 8.380 nan 0.000 0.508 763 T N 1.298 115.866 114.554 0.024 0.000 2.771 763 T HA 0.358 4.707 4.350 -0.002 0.000 0.291 763 T C -2.140 172.574 174.700 0.024 0.000 0.954 763 T CA -1.232 60.883 62.100 0.024 0.000 1.045 763 T CB 1.177 70.064 68.868 0.032 0.000 0.917 763 T HN 0.121 nan 8.240 nan 0.000 0.484 764 P HA 0.151 nan 4.420 nan 0.000 0.267 764 P C 1.126 178.438 177.300 0.020 0.000 1.195 764 P CA -0.018 63.093 63.100 0.017 0.000 0.773 764 P CB 0.419 32.128 31.700 0.016 0.000 0.837 765 K N 1.280 121.690 120.400 0.016 0.000 2.001 765 K HA -0.204 4.115 4.320 -0.002 0.000 0.214 765 K C 1.896 178.502 176.600 0.011 0.000 1.050 765 K CA 2.882 59.178 56.287 0.016 0.000 0.934 765 K CB -2.300 30.206 32.500 0.011 0.000 0.718 765 K HN 0.694 nan 8.250 nan 0.000 0.443 766 T N 0.790 115.348 114.554 0.006 0.000 2.833 766 T HA -0.084 4.265 4.350 -0.002 0.000 0.269 766 T C 1.975 176.681 174.700 0.009 0.000 1.054 766 T CA 1.173 63.273 62.100 -0.000 0.000 1.135 766 T CB -0.247 68.615 68.868 -0.009 0.000 0.869 766 T HN 0.250 nan 8.240 nan 0.000 0.466 767 L N 1.047 122.281 121.223 0.019 0.000 2.027 767 L HA 0.113 4.452 4.340 -0.002 0.000 0.206 767 L C 2.225 179.114 176.870 0.032 0.000 1.074 767 L CA 1.423 56.281 54.840 0.030 0.000 0.745 767 L CB -0.880 41.200 42.059 0.034 0.000 0.898 767 L HN 0.226 nan 8.230 nan 0.000 0.433 768 L N -0.686 120.554 121.223 0.029 0.000 2.043 768 L HA -0.271 4.067 4.340 -0.002 0.000 0.212 768 L C 2.540 179.417 176.870 0.012 0.000 1.075 768 L CA 1.647 56.505 54.840 0.030 0.000 0.752 768 L CB -0.690 41.388 42.059 0.032 0.000 0.891 768 L HN 0.378 nan 8.230 nan 0.000 0.432 769 E N -0.029 120.172 120.200 0.001 0.000 2.038 769 E HA -0.221 4.128 4.350 -0.002 0.000 0.195 769 E C 1.969 178.572 176.600 0.006 0.000 1.000 769 E CA 1.314 57.703 56.400 -0.019 0.000 0.803 769 E CB -0.194 29.497 29.700 -0.016 0.000 0.750 769 E HN 0.507 nan 8.360 nan 0.000 0.448 770 N N 0.110 118.830 118.700 0.034 0.000 2.244 770 N HA -0.086 4.653 4.740 -0.002 0.000 0.183 770 N C 1.827 177.386 175.510 0.083 0.000 1.016 770 N CA 1.215 54.312 53.050 0.078 0.000 0.866 770 N CB -0.121 38.422 38.487 0.094 0.000 0.980 770 N HN 0.140 nan 8.380 nan 0.000 0.430 771 T N 1.096 115.686 114.554 0.061 0.000 2.737 771 T HA -0.030 4.319 4.350 -0.002 0.000 0.265 771 T C 2.087 176.838 174.700 0.086 0.000 1.038 771 T CA 1.203 63.339 62.100 0.059 0.000 1.144 771 T CB -0.252 68.648 68.868 0.053 0.000 0.866 771 T HN 0.284 nan 8.240 nan 0.000 0.434 772 A N 1.208 124.078 122.820 0.083 0.000 1.908 772 A HA -0.043 4.276 4.320 -0.002 0.000 0.218 772 A C 2.289 180.027 177.584 0.256 0.000 1.181 772 A CA 1.282 53.394 52.037 0.124 0.000 0.627 772 A CB -0.828 18.022 19.000 -0.249 0.000 0.818 772 A HN 0.525 nan 8.150 nan 0.000 0.445 773 I N -0.724 119.933 120.570 0.144 0.000 2.252 773 I HA -0.207 3.962 4.170 -0.002 0.000 0.245 773 I C 2.589 178.807 176.117 0.168 0.000 1.102 773 I CA 1.740 63.151 61.300 0.186 0.000 1.385 773 I CB -0.558 37.526 38.000 0.140 0.000 1.064 773 I HN 0.246 nan 8.210 nan 0.000 0.414 774 T N 1.057 115.678 114.554 0.111 0.000 2.737 774 T HA -0.061 4.288 4.350 -0.002 0.000 0.265 774 T C 1.948 176.656 174.700 0.014 0.000 1.038 774 T CA 1.240 63.370 62.100 0.050 0.000 1.144 774 T CB -0.241 68.641 68.868 0.025 0.000 0.866 774 T HN 0.199 nan 8.240 nan 0.000 0.434 775 I N 1.314 121.876 120.570 -0.013 0.000 2.163 775 I HA -0.165 4.004 4.170 -0.002 0.000 0.243 775 I C 2.885 178.921 176.117 -0.135 0.000 1.085 775 I CA 1.420 62.612 61.300 -0.179 0.000 1.347 775 I CB -0.826 36.940 38.000 -0.390 0.000 1.044 775 I HN 0.321 nan 8.210 nan 0.000 0.408 776 G N 0.532 109.371 108.800 0.065 0.000 2.459 776 G HA2 -0.266 3.693 3.960 -0.002 0.000 0.217 776 G HA3 -0.266 3.693 3.960 -0.002 0.000 0.217 776 G C 1.811 176.772 174.900 0.103 0.000 1.183 776 G CA 0.694 45.866 45.100 0.121 0.000 0.776 776 G HN 0.294 nan 8.290 nan 0.000 0.552 777 R N -0.380 120.180 120.500 0.101 0.000 2.120 777 R HA 0.100 4.439 4.340 -0.002 0.000 0.234 777 R C 2.653 179.002 176.300 0.082 0.000 1.123 777 R CA 0.750 56.899 56.100 0.082 0.000 0.975 777 R CB -0.337 29.984 30.300 0.035 0.000 0.866 777 R HN 0.348 nan 8.270 nan 0.000 0.446 778 L N -0.937 120.302 121.223 0.025 0.000 2.093 778 L HA -0.052 4.287 4.340 -0.002 0.000 0.208 778 L C 2.517 179.393 176.870 0.009 0.000 1.085 778 L CA 1.308 56.151 54.840 0.005 0.000 0.755 778 L CB -0.606 41.430 42.059 -0.038 0.000 0.904 778 L HN 0.334 nan 8.230 nan 0.000 0.435 779 G N -1.128 107.670 108.800 -0.003 0.000 2.432 779 G HA2 -0.340 3.619 3.960 -0.002 0.000 0.219 779 G HA3 -0.340 3.619 3.960 -0.002 0.000 0.219 779 G C 1.504 176.419 174.900 0.025 0.000 1.135 779 G CA 0.544 45.643 45.100 -0.002 0.000 0.767 779 G HN 0.348 nan 8.290 nan 0.000 0.550 780 Y N 0.163 120.437 120.300 -0.044 0.000 2.293 780 Y HA 0.056 4.605 4.550 -0.002 0.000 0.291 780 Y C 2.537 178.416 175.900 -0.034 0.000 1.137 780 Y CA 1.476 59.553 58.100 -0.038 0.000 1.202 780 Y CB 0.093 38.542 38.460 -0.018 0.000 0.990 780 Y HN 0.059 nan 8.280 nan 0.000 0.537 781 V N -1.683 118.239 119.914 0.014 0.000 3.523 781 V HA 0.076 4.195 4.120 -0.002 0.000 0.255 781 V C -0.145 175.914 176.094 -0.059 0.000 1.226 781 V CA 0.654 62.933 62.300 -0.034 0.000 1.092 781 V CB 0.404 32.274 31.823 0.077 0.000 0.817 781 V HN 0.399 nan 8.190 nan 0.000 0.458 782 C N 1.912 121.187 119.300 -0.042 0.000 3.328 782 C HA 0.381 4.840 4.460 -0.002 0.000 0.230 782 C C -1.370 173.592 174.990 -0.047 0.000 1.232 782 C CA -0.681 58.312 59.018 -0.042 0.000 1.431 782 C CB 0.759 28.489 27.740 -0.016 0.000 1.818 782 C HN 0.409 nan 8.230 nan 0.000 0.484 783 P HA -0.108 nan 4.420 nan 0.000 0.220 783 P C 1.542 178.814 177.300 -0.047 0.000 1.152 783 P CA 1.411 64.473 63.100 -0.064 0.000 0.812 783 P CB 0.239 31.881 31.700 -0.095 0.000 0.792 784 Q N 0.050 119.823 119.800 -0.046 0.000 2.084 784 Q HA -0.170 4.169 4.340 -0.002 0.000 0.202 784 Q C 2.047 178.033 176.000 -0.023 0.000 0.978 784 Q CA 1.318 57.100 55.803 -0.035 0.000 0.844 784 Q CB -0.766 27.952 28.738 -0.034 0.000 0.898 784 Q HN 0.247 nan 8.270 nan 0.000 0.426 785 E N 0.365 120.552 120.200 -0.023 0.000 2.047 785 E HA -0.084 4.265 4.350 -0.002 0.000 0.191 785 E C 2.081 178.671 176.600 -0.018 0.000 0.987 785 E CA 0.862 57.252 56.400 -0.018 0.000 0.799 785 E CB 0.001 29.689 29.700 -0.019 0.000 0.752 785 E HN 0.150 nan 8.360 nan 0.000 0.449 786 V N 0.401 120.306 119.914 -0.016 0.000 2.725 786 V HA 0.023 4.142 4.120 -0.002 0.000 0.247 786 V C 2.245 178.379 176.094 0.067 0.000 1.058 786 V CA 1.104 63.406 62.300 0.003 0.000 1.080 786 V CB -0.605 31.205 31.823 -0.021 0.000 0.713 786 V HN 0.259 nan 8.190 nan 0.000 0.465 787 A N 1.046 123.883 122.820 0.028 0.000 1.908 787 A HA -0.138 4.181 4.320 -0.002 0.000 0.218 787 A C 0.552 178.134 177.584 -0.003 0.000 1.181 787 A CA 2.086 54.129 52.037 0.010 0.000 0.627 787 A CB -1.899 17.081 19.000 -0.033 0.000 0.818 787 A HN 0.516 nan 8.150 nan 0.000 0.445 788 P HA -0.168 nan 4.420 nan 0.000 0.217 788 P C 1.168 178.465 177.300 -0.006 0.000 1.151 788 P CA 1.375 64.472 63.100 -0.007 0.000 0.849 788 P CB -0.146 31.559 31.700 0.008 0.000 0.787 789 M N -2.001 117.624 119.600 0.042 0.000 2.581 789 M HA 0.051 4.530 4.480 -0.002 0.000 0.224 789 M C 1.362 177.628 176.300 -0.058 0.000 1.171 789 M CA -0.089 55.252 55.300 0.068 0.000 0.993 789 M CB -0.309 32.382 32.600 0.150 0.000 1.685 789 M HN -0.067 nan 8.290 nan 0.000 0.479 790 L N 1.164 122.248 121.223 -0.232 0.000 2.042 790 L HA -0.223 4.116 4.340 -0.002 0.000 0.210 790 L C 2.119 178.526 176.870 -0.772 0.000 1.076 790 L CA 2.224 56.639 54.840 -0.707 0.000 0.749 790 L CB -0.500 41.317 42.059 -0.404 0.000 0.893 790 L HN 0.369 nan 8.230 nan 0.000 0.432 791 Q N -1.192 118.379 119.800 -0.383 0.000 2.170 791 Q HA -0.217 4.122 4.340 -0.002 0.000 0.203 791 Q C 2.117 177.975 176.000 -0.236 0.000 0.976 791 Q CA 1.734 57.377 55.803 -0.267 0.000 0.858 791 Q CB -0.409 28.243 28.738 -0.143 0.000 0.907 791 Q HN 0.627 nan 8.270 nan 0.000 0.433 792 Q N -0.126 119.557 119.800 -0.194 0.000 2.172 792 Q HA -0.071 4.268 4.340 -0.002 0.000 0.200 792 Q C 1.154 177.172 176.000 0.029 0.000 0.964 792 Q CA 1.195 56.972 55.803 -0.043 0.000 0.855 792 Q CB 0.130 28.900 28.738 0.052 0.000 0.918 792 Q HN 0.640 nan 8.270 nan 0.000 0.444 793 F N -2.984 116.974 119.950 0.014 0.000 2.706 793 F HA 0.298 4.824 4.527 -0.002 0.000 0.313 793 F C 1.329 177.192 175.800 0.105 0.000 1.096 793 F CA -0.638 57.397 58.000 0.059 0.000 1.219 793 F CB -0.155 38.882 39.000 0.062 0.000 1.051 793 F HN -0.147 nan 8.300 nan 0.000 0.568 794 I N 1.576 121.989 120.570 -0.262 0.000 2.252 794 I HA -0.095 4.074 4.170 -0.002 0.000 0.245 794 I C 2.494 178.723 176.117 0.186 0.000 1.102 794 I CA 1.499 62.741 61.300 -0.097 0.000 1.385 794 I CB -0.390 37.431 38.000 -0.298 0.000 1.064 794 I HN 0.078 nan 8.210 nan 0.000 0.414 795 R N 0.496 121.041 120.500 0.075 0.000 2.070 795 R HA -0.112 4.227 4.340 -0.002 0.000 0.233 795 R C -0.180 176.220 176.300 0.166 0.000 1.137 795 R CA 2.125 58.251 56.100 0.043 0.000 0.945 795 R CB -1.963 28.231 30.300 -0.177 0.000 0.845 795 R HN 0.375 nan 8.270 nan 0.000 0.430 796 P HA -0.180 nan 4.420 nan 0.000 0.217 796 P C 0.758 178.211 177.300 0.256 0.000 1.150 796 P CA 0.861 64.073 63.100 0.187 0.000 0.832 796 P CB -0.203 31.604 31.700 0.178 0.000 0.787 797 W N 0.206 121.620 121.300 0.190 0.000 2.318 797 W HA -0.274 4.385 4.660 -0.002 0.000 0.313 797 W C 2.099 178.722 176.519 0.174 0.000 1.221 797 W CA 1.615 59.089 57.345 0.215 0.000 1.266 797 W CB -1.018 28.641 29.460 0.332 0.000 1.150 797 W HN -0.064 nan 8.180 nan 0.000 0.496 798 C N -0.274 119.318 119.300 0.486 0.000 2.429 798 C HA -0.192 4.267 4.460 -0.002 0.000 0.277 798 C C 2.562 177.478 174.990 -0.123 0.000 1.262 798 C CA 1.832 60.990 59.018 0.232 0.000 1.733 798 C CB -1.474 26.487 27.740 0.368 0.000 2.010 798 C HN 0.410 nan 8.230 nan 0.000 0.483 799 T N 0.694 115.257 114.554 0.015 0.000 2.788 799 T HA -0.127 4.222 4.350 -0.002 0.000 0.268 799 T C 1.866 176.565 174.700 -0.002 0.000 1.044 799 T CA 1.756 63.843 62.100 -0.023 0.000 1.139 799 T CB -0.290 68.635 68.868 0.096 0.000 0.867 799 T HN 0.554 nan 8.240 nan 0.000 0.454 800 S N 1.380 117.055 115.700 -0.041 0.000 2.481 800 S HA 0.139 4.608 4.470 -0.002 0.000 0.231 800 S C 1.747 176.303 174.600 -0.073 0.000 0.996 800 S CA 0.386 58.553 58.200 -0.055 0.000 0.942 800 S CB -0.399 62.737 63.200 -0.106 0.000 0.768 800 S HN 0.403 nan 8.310 nan 0.000 0.520 801 L N 0.998 122.158 121.223 -0.104 0.000 2.633 801 L HA 0.024 4.363 4.340 -0.002 0.000 0.235 801 L C 2.373 179.417 176.870 0.290 0.000 1.163 801 L CA 0.356 55.196 54.840 -0.001 0.000 0.859 801 L CB -0.367 41.660 42.059 -0.053 0.000 0.973 801 L HN 0.218 nan 8.230 nan 0.000 0.451 802 R N 0.751 121.481 120.500 0.383 0.000 2.132 802 R HA -0.206 4.133 4.340 -0.002 0.000 0.233 802 R C 1.818 178.075 176.300 -0.071 0.000 1.125 802 R CA 2.342 58.563 56.100 0.202 0.000 0.914 802 R CB -0.068 30.381 30.300 0.248 0.000 0.845 802 R HN 0.376 nan 8.270 nan 0.000 0.431 803 N N -0.068 118.615 118.700 -0.028 0.000 2.424 803 N HA 0.054 4.793 4.740 -0.002 0.000 0.178 803 N C -0.002 175.474 175.510 -0.057 0.000 1.060 803 N CA 0.372 53.385 53.050 -0.062 0.000 0.901 803 N CB 0.117 38.580 38.487 -0.040 0.000 0.979 803 N HN 0.234 nan 8.380 nan 0.000 0.451 804 I N 3.093 123.638 120.570 -0.041 0.000 2.662 804 I HA -0.065 4.104 4.170 -0.002 0.000 0.285 804 I C 1.251 177.341 176.117 -0.044 0.000 1.161 804 I CA -0.174 61.103 61.300 -0.038 0.000 1.415 804 I CB 0.180 38.158 38.000 -0.037 0.000 1.385 804 I HN 0.087 nan 8.210 nan 0.000 0.552 805 R N 4.839 125.316 120.500 -0.038 0.000 2.574 805 R HA 0.245 4.584 4.340 -0.002 0.000 0.266 805 R C -0.551 175.736 176.300 -0.020 0.000 1.157 805 R CA -0.809 55.269 56.100 -0.038 0.000 1.187 805 R CB 0.469 30.748 30.300 -0.035 0.000 1.179 805 R HN 0.379 nan 8.270 nan 0.000 0.600 806 D N 1.176 121.566 120.400 -0.017 0.000 2.671 806 D HA 0.063 4.702 4.640 -0.002 0.000 0.228 806 D C -0.749 175.558 176.300 0.013 0.000 1.102 806 D CA 0.210 54.209 54.000 -0.002 0.000 1.044 806 D CB -0.623 40.175 40.800 -0.005 0.000 1.113 806 D HN 0.434 nan 8.370 nan 0.000 0.480 807 N N -0.856 117.856 118.700 0.019 0.000 2.502 807 N HA 0.173 4.912 4.740 -0.002 0.000 0.280 807 N C 0.953 176.489 175.510 0.043 0.000 1.223 807 N CA -0.775 52.292 53.050 0.028 0.000 0.966 807 N CB 0.866 39.368 38.487 0.025 0.000 1.203 807 N HN -0.258 nan 8.380 nan 0.000 0.565 808 E N -0.421 119.804 120.200 0.041 0.000 2.333 808 E HA -0.178 4.171 4.350 -0.002 0.000 0.198 808 E C 0.679 177.308 176.600 0.048 0.000 1.007 808 E CA 1.339 57.763 56.400 0.040 0.000 0.845 808 E CB -0.073 29.645 29.700 0.030 0.000 0.766 808 E HN 0.636 nan 8.360 nan 0.000 0.507 809 E N 0.048 120.287 120.200 0.065 0.000 2.042 809 E HA -0.125 4.224 4.350 -0.002 0.000 0.189 809 E C 1.955 178.616 176.600 0.103 0.000 0.974 809 E CA 0.763 57.215 56.400 0.086 0.000 0.806 809 E CB -0.205 29.557 29.700 0.103 0.000 0.769 809 E HN 0.177 nan 8.360 nan 0.000 0.451 810 K N 1.312 121.767 120.400 0.092 0.000 2.057 810 K HA -0.209 4.110 4.320 -0.002 0.000 0.207 810 K C 1.998 178.717 176.600 0.199 0.000 1.049 810 K CA 1.549 57.905 56.287 0.115 0.000 0.931 810 K CB -0.060 32.473 32.500 0.055 0.000 0.714 810 K HN 0.009 nan 8.250 nan 0.000 0.440 811 D N 0.380 120.873 120.400 0.155 0.000 2.156 811 D HA -0.190 4.449 4.640 -0.002 0.000 0.190 811 D C 1.907 178.315 176.300 0.180 0.000 0.998 811 D CA 2.378 56.489 54.000 0.185 0.000 0.842 811 D CB -0.194 40.669 40.800 0.104 0.000 0.974 811 D HN 0.369 nan 8.370 nan 0.000 0.447 812 S N 0.631 116.362 115.700 0.052 0.000 2.383 812 S HA -0.105 4.364 4.470 -0.002 0.000 0.229 812 S C 2.262 176.870 174.600 0.013 0.000 1.030 812 S CA 1.633 59.770 58.200 -0.104 0.000 1.002 812 S CB -0.465 62.624 63.200 -0.184 0.000 0.829 812 S HN 0.384 nan 8.310 nan 0.000 0.467 813 A N 1.138 124.072 122.820 0.189 0.000 1.902 813 A HA 0.039 4.358 4.320 -0.002 0.000 0.217 813 A C 1.974 179.866 177.584 0.512 0.000 1.181 813 A CA 1.552 53.806 52.037 0.362 0.000 0.623 813 A CB -1.016 18.256 19.000 0.453 0.000 0.818 813 A HN 0.611 nan 8.150 nan 0.000 0.443 814 F N 0.511 120.695 119.950 0.391 0.000 2.234 814 F HA 0.009 4.535 4.527 -0.002 0.000 0.296 814 F C 2.249 178.183 175.800 0.224 0.000 1.089 814 F CA 1.117 59.362 58.000 0.409 0.000 1.343 814 F CB -0.244 39.019 39.000 0.438 0.000 1.040 814 F HN 0.100 nan 8.300 nan 0.000 0.498 815 R N -0.100 120.429 120.500 0.050 0.000 2.120 815 R HA -0.083 4.256 4.340 -0.002 0.000 0.234 815 R C 2.511 178.884 176.300 0.121 0.000 1.123 815 R CA 1.054 57.154 56.100 0.001 0.000 0.975 815 R CB -1.063 29.284 30.300 0.078 0.000 0.866 815 R HN 0.463 nan 8.270 nan 0.000 0.446 816 G N 1.356 110.254 108.800 0.163 0.000 2.402 816 G HA2 -0.181 3.778 3.960 -0.002 0.000 0.216 816 G HA3 -0.181 3.778 3.960 -0.002 0.000 0.216 816 G C 1.368 176.232 174.900 -0.059 0.000 1.162 816 G CA 0.246 45.438 45.100 0.153 0.000 0.777 816 G HN 0.043 nan 8.290 nan 0.000 0.539 817 I N 1.117 121.572 120.570 -0.192 0.000 2.179 817 I HA -0.133 4.036 4.170 -0.002 0.000 0.242 817 I C 2.949 178.840 176.117 -0.376 0.000 1.088 817 I CA 0.598 61.670 61.300 -0.380 0.000 1.357 817 I CB -1.291 36.313 38.000 -0.660 0.000 1.051 817 I HN 0.178 nan 8.210 nan 0.000 0.409 818 C N 0.586 119.640 119.300 -0.409 0.000 2.429 818 C HA -0.161 4.298 4.460 -0.002 0.000 0.277 818 C C 2.952 177.787 174.990 -0.258 0.000 1.262 818 C CA 1.490 60.266 59.018 -0.403 0.000 1.733 818 C CB -1.241 26.207 27.740 -0.487 0.000 2.010 818 C HN 0.529 nan 8.230 nan 0.000 0.483 819 T N 0.970 115.420 114.554 -0.175 0.000 2.833 819 T HA -0.184 4.165 4.350 -0.002 0.000 0.269 819 T C 1.688 176.305 174.700 -0.139 0.000 1.054 819 T CA 1.550 63.568 62.100 -0.138 0.000 1.135 819 T CB -0.253 68.536 68.868 -0.132 0.000 0.869 819 T HN 0.523 nan 8.240 nan 0.000 0.466 820 M N 0.074 119.584 119.600 -0.150 0.000 2.236 820 M HA 0.131 4.610 4.480 -0.002 0.000 0.266 820 M C 2.152 178.353 176.300 -0.166 0.000 1.070 820 M CA 1.281 56.501 55.300 -0.133 0.000 1.137 820 M CB -0.434 32.107 32.600 -0.098 0.000 1.378 820 M HN 0.172 nan 8.290 nan 0.000 0.426 821 I N -0.539 119.884 120.570 -0.244 0.000 2.208 821 I HA -0.319 3.850 4.170 -0.002 0.000 0.245 821 I C 2.727 178.772 176.117 -0.120 0.000 1.097 821 I CA 1.351 62.500 61.300 -0.252 0.000 1.363 821 I CB -0.514 37.236 38.000 -0.415 0.000 1.051 821 I HN 0.330 nan 8.210 nan 0.000 0.413 822 S N 0.435 116.064 115.700 -0.119 0.000 2.359 822 S HA -0.151 4.318 4.470 -0.002 0.000 0.224 822 S C 2.035 176.606 174.600 -0.048 0.000 1.035 822 S CA 1.725 59.886 58.200 -0.064 0.000 1.018 822 S CB -0.241 62.910 63.200 -0.083 0.000 0.876 822 S HN 0.243 nan 8.310 nan 0.000 0.448 823 V N 1.667 121.540 119.914 -0.068 0.000 2.346 823 V HA 0.065 4.184 4.120 -0.002 0.000 0.244 823 V C 1.332 177.398 176.094 -0.046 0.000 1.037 823 V CA 1.386 63.652 62.300 -0.057 0.000 1.029 823 V CB -0.584 31.200 31.823 -0.065 0.000 0.663 823 V HN 0.607 nan 8.190 nan 0.000 0.454 824 N N 0.448 119.115 118.700 -0.056 0.000 2.706 824 N HA 0.180 4.919 4.740 -0.002 0.000 0.240 824 N C -2.219 173.274 175.510 -0.028 0.000 1.039 824 N CA -1.443 51.579 53.050 -0.046 0.000 0.888 824 N CB 2.109 40.559 38.487 -0.062 0.000 1.128 824 N HN 0.113 nan 8.380 nan 0.000 0.512 825 P HA -0.025 nan 4.420 nan 0.000 0.219 825 P C 1.082 178.483 177.300 0.168 0.000 1.150 825 P CA 0.894 64.103 63.100 0.181 0.000 0.814 825 P CB 0.359 32.161 31.700 0.170 0.000 0.787 826 S N -0.173 115.558 115.700 0.052 0.000 2.399 826 S HA -0.082 4.387 4.470 -0.002 0.000 0.231 826 S C 2.213 176.803 174.600 -0.015 0.000 1.022 826 S CA 1.408 59.617 58.200 0.016 0.000 0.983 826 S CB -1.551 61.637 63.200 -0.020 0.000 0.803 826 S HN 0.288 nan 8.310 nan 0.000 0.480 827 G N 0.964 109.728 108.800 -0.059 0.000 2.535 827 G HA2 -0.051 3.908 3.960 -0.002 0.000 0.218 827 G HA3 -0.051 3.908 3.960 -0.002 0.000 0.218 827 G C 1.139 175.947 174.900 -0.153 0.000 1.122 827 G CA 1.105 46.129 45.100 -0.126 0.000 0.769 827 G HN 0.516 nan 8.290 nan 0.000 0.549 828 V N -0.039 119.811 119.914 -0.106 0.000 3.307 828 V HA 0.162 4.281 4.120 -0.002 0.000 0.244 828 V C 2.530 178.669 176.094 0.074 0.000 1.196 828 V CA 0.086 62.315 62.300 -0.119 0.000 1.132 828 V CB -0.293 31.362 31.823 -0.280 0.000 0.875 828 V HN 0.309 nan 8.190 nan 0.000 0.468 829 I N 0.542 121.191 120.570 0.132 0.000 2.145 829 I HA -0.327 3.842 4.170 -0.002 0.000 0.244 829 I C 2.796 179.059 176.117 0.243 0.000 1.075 829 I CA 1.797 63.218 61.300 0.203 0.000 1.332 829 I CB -0.663 37.352 38.000 0.025 0.000 1.033 829 I HN 0.310 nan 8.210 nan 0.000 0.410 830 Q N 0.639 120.514 119.800 0.126 0.000 2.135 830 Q HA -0.189 4.150 4.340 -0.002 0.000 0.204 830 Q C 0.907 176.988 176.000 0.136 0.000 0.981 830 Q CA 1.486 57.350 55.803 0.103 0.000 0.856 830 Q CB -0.221 28.534 28.738 0.028 0.000 0.902 830 Q HN 0.679 nan 8.270 nan 0.000 0.425 831 D N -1.096 119.394 120.400 0.150 0.000 2.501 831 D HA 0.055 4.694 4.640 -0.002 0.000 0.224 831 D C 0.961 177.453 176.300 0.320 0.000 1.202 831 D CA -0.236 53.871 54.000 0.179 0.000 0.829 831 D CB -0.109 40.730 40.800 0.066 0.000 1.023 831 D HN 0.073 nan 8.370 nan 0.000 0.499 832 F N 1.920 122.012 119.950 0.238 0.000 2.091 832 F HA -0.222 4.304 4.527 -0.002 0.000 0.299 832 F C 2.026 178.082 175.800 0.428 0.000 1.103 832 F CA 1.513 59.717 58.000 0.341 0.000 1.228 832 F CB -0.050 39.241 39.000 0.486 0.000 0.984 832 F HN -0.151 nan 8.300 nan 0.000 0.477 833 I N -0.954 119.969 120.570 0.589 0.000 2.163 833 I HA -0.334 3.835 4.170 -0.002 0.000 0.243 833 I C 2.228 178.528 176.117 0.304 0.000 1.085 833 I CA 1.550 63.120 61.300 0.450 0.000 1.347 833 I CB -0.777 37.371 38.000 0.247 0.000 1.044 833 I HN 0.111 nan 8.210 nan 0.000 0.408 834 F N 0.765 120.803 119.950 0.147 0.000 2.134 834 F HA -0.248 4.278 4.527 -0.002 0.000 0.299 834 F C 2.323 178.163 175.800 0.067 0.000 1.097 834 F CA 1.460 59.505 58.000 0.075 0.000 1.264 834 F CB -0.389 38.651 39.000 0.067 0.000 1.001 834 F HN 0.003 nan 8.300 nan 0.000 0.479 835 F N 0.341 120.366 119.950 0.126 0.000 2.069 835 F HA -0.277 4.249 4.527 -0.002 0.000 0.298 835 F C 2.437 178.215 175.800 -0.037 0.000 1.113 835 F CA 1.756 59.770 58.000 0.024 0.000 1.214 835 F CB -1.193 37.751 39.000 -0.093 0.000 0.978 835 F HN 0.008 nan 8.300 nan 0.000 0.474 836 C N 0.576 119.742 119.300 -0.223 0.000 2.413 836 C HA -0.202 4.257 4.460 -0.002 0.000 0.277 836 C C 2.706 177.552 174.990 -0.241 0.000 1.265 836 C CA 1.276 60.135 59.018 -0.265 0.000 1.752 836 C CB -1.259 26.434 27.740 -0.079 0.000 1.998 836 C HN 0.572 nan 8.230 nan 0.000 0.489 837 D N 0.556 120.830 120.400 -0.210 0.000 2.097 837 D HA -0.111 4.528 4.640 -0.002 0.000 0.195 837 D C 2.304 178.415 176.300 -0.316 0.000 0.989 837 D CA 1.742 55.594 54.000 -0.248 0.000 0.827 837 D CB -0.094 40.512 40.800 -0.324 0.000 0.966 837 D HN 0.470 nan 8.370 nan 0.000 0.456 838 A N 0.510 123.052 122.820 -0.462 0.000 1.873 838 A HA -0.111 4.208 4.320 -0.002 0.000 0.215 838 A C 2.588 180.028 177.584 -0.239 0.000 1.186 838 A CA 1.197 52.914 52.037 -0.534 0.000 0.616 838 A CB -0.805 17.862 19.000 -0.555 0.000 0.823 838 A HN 0.179 nan 8.150 nan 0.000 0.442 839 V N 0.004 119.728 119.914 -0.317 0.000 2.287 839 V HA -0.305 3.814 4.120 -0.002 0.000 0.248 839 V C 3.065 179.025 176.094 -0.224 0.000 1.053 839 V CA 2.155 64.263 62.300 -0.320 0.000 1.027 839 V CB -1.256 30.314 31.823 -0.422 0.000 0.646 839 V HN 0.623 nan 8.190 nan 0.000 0.447 840 A N 0.243 122.949 122.820 -0.190 0.000 1.933 840 A HA -0.172 4.147 4.320 -0.002 0.000 0.218 840 A C 2.411 179.976 177.584 -0.032 0.000 1.175 840 A CA 2.370 54.329 52.037 -0.130 0.000 0.628 840 A CB -0.465 18.445 19.000 -0.150 0.000 0.814 840 A HN 0.670 nan 8.150 nan 0.000 0.444 841 S N -2.728 113.025 115.700 0.089 0.000 2.468 841 S HA 0.012 4.481 4.470 -0.002 0.000 0.226 841 S C 1.867 176.556 174.600 0.149 0.000 1.051 841 S CA 0.052 58.350 58.200 0.164 0.000 0.943 841 S CB -0.498 62.895 63.200 0.322 0.000 0.810 841 S HN 0.741 nan 8.310 nan 0.000 0.509 842 W N 1.382 122.587 121.300 -0.158 0.000 2.539 842 W HA 0.309 4.968 4.660 -0.002 0.000 0.299 842 W C 2.004 178.422 176.519 -0.168 0.000 1.165 842 W CA 0.072 57.325 57.345 -0.153 0.000 1.400 842 W CB -0.075 29.288 29.460 -0.161 0.000 1.123 842 W HN 0.273 nan 8.180 nan 0.000 0.533 843 I N -0.080 120.503 120.570 0.022 0.000 2.385 843 I HA -0.115 4.054 4.170 -0.002 0.000 0.244 843 I C 0.295 176.345 176.117 -0.113 0.000 1.089 843 I CA 0.678 61.902 61.300 -0.127 0.000 1.410 843 I CB -0.620 37.157 38.000 -0.372 0.000 1.117 843 I HN -0.106 nan 8.210 nan 0.000 0.429 844 N N 1.221 119.853 118.700 -0.115 0.000 2.525 844 N HA -0.106 4.633 4.740 -0.002 0.000 0.283 844 N C -2.523 172.953 175.510 -0.057 0.000 1.259 844 N CA -0.112 52.894 53.050 -0.073 0.000 0.689 844 N CB -0.656 37.807 38.487 -0.040 0.000 0.899 844 N HN 0.041 nan 8.380 nan 0.000 0.541 845 P HA -0.056 nan 4.420 nan 0.000 0.260 845 P C 0.316 177.652 177.300 0.061 0.000 1.172 845 P CA 0.508 63.622 63.100 0.023 0.000 0.760 845 P CB 0.549 32.286 31.700 0.062 0.000 0.773 846 K N 2.262 122.709 120.400 0.079 0.000 3.290 846 K HA 0.096 4.415 4.320 -0.002 0.000 0.271 846 K C 0.933 177.581 176.600 0.080 0.000 1.071 846 K CA -0.143 56.182 56.287 0.062 0.000 1.609 846 K CB -0.206 32.327 32.500 0.055 0.000 2.191 846 K HN 0.266 nan 8.250 nan 0.000 0.698 847 D N 0.779 121.223 120.400 0.073 0.000 2.178 847 D HA -0.113 4.526 4.640 -0.002 0.000 0.217 847 D C 1.545 177.904 176.300 0.099 0.000 0.992 847 D CA 1.123 55.165 54.000 0.069 0.000 0.895 847 D CB -0.456 40.373 40.800 0.049 0.000 1.031 847 D HN 0.333 nan 8.370 nan 0.000 0.453 848 D N -0.393 120.067 120.400 0.100 0.000 2.224 848 D HA -0.057 4.582 4.640 -0.002 0.000 0.205 848 D C 2.011 178.407 176.300 0.160 0.000 0.965 848 D CA 0.217 54.285 54.000 0.113 0.000 0.852 848 D CB 0.246 41.101 40.800 0.093 0.000 0.947 848 D HN -0.030 nan 8.370 nan 0.000 0.494 849 L N 0.887 122.226 121.223 0.194 0.000 2.023 849 L HA -0.029 4.310 4.340 -0.002 0.000 0.205 849 L C 2.578 179.663 176.870 0.358 0.000 1.073 849 L CA 1.094 56.110 54.840 0.294 0.000 0.745 849 L CB -0.811 41.445 42.059 0.327 0.000 0.900 849 L HN -0.063 nan 8.230 nan 0.000 0.435 850 R N -0.060 120.619 120.500 0.298 0.000 2.096 850 R HA -0.225 4.114 4.340 -0.002 0.000 0.240 850 R C 1.879 178.405 176.300 0.378 0.000 1.139 850 R CA 2.142 58.450 56.100 0.347 0.000 0.952 850 R CB -0.395 30.044 30.300 0.231 0.000 0.854 850 R HN 0.362 nan 8.270 nan 0.000 0.436 851 D N 0.309 120.865 120.400 0.259 0.000 2.092 851 D HA -0.231 4.408 4.640 -0.002 0.000 0.193 851 D C 1.834 178.269 176.300 0.226 0.000 0.994 851 D CA 1.311 55.441 54.000 0.216 0.000 0.828 851 D CB -0.331 40.554 40.800 0.142 0.000 0.963 851 D HN 0.222 nan 8.370 nan 0.000 0.450 852 M N -0.250 119.480 119.600 0.217 0.000 2.080 852 M HA -0.188 4.291 4.480 -0.002 0.000 0.260 852 M C 2.073 178.485 176.300 0.187 0.000 1.068 852 M CA 1.258 56.660 55.300 0.170 0.000 1.109 852 M CB -0.716 31.975 32.600 0.152 0.000 1.342 852 M HN 0.005 nan 8.290 nan 0.000 0.405 853 F N 0.566 120.605 119.950 0.149 0.000 2.095 853 F HA -0.260 4.266 4.527 -0.002 0.000 0.298 853 F C 2.792 178.628 175.800 0.060 0.000 1.104 853 F CA 1.995 60.068 58.000 0.122 0.000 1.232 853 F CB -1.068 38.074 39.000 0.237 0.000 0.987 853 F HN 0.407 nan 8.300 nan 0.000 0.475 854 C N 1.461 121.048 119.300 0.478 0.000 2.398 854 C HA -0.223 4.236 4.460 -0.002 0.000 0.276 854 C C 2.807 177.987 174.990 0.317 0.000 1.222 854 C CA 1.802 61.085 59.018 0.441 0.000 1.746 854 C CB -1.296 26.738 27.740 0.490 0.000 2.039 854 C HN 0.502 nan 8.230 nan 0.000 0.470 855 K N -0.178 120.339 120.400 0.194 0.000 2.147 855 K HA -0.123 4.196 4.320 -0.002 0.000 0.205 855 K C 1.648 178.293 176.600 0.075 0.000 1.049 855 K CA 1.409 57.765 56.287 0.114 0.000 0.936 855 K CB -0.263 32.274 32.500 0.063 0.000 0.722 855 K HN 0.458 nan 8.250 nan 0.000 0.446 856 I N 1.187 121.753 120.570 -0.006 0.000 2.315 856 I HA -0.216 3.953 4.170 -0.002 0.000 0.248 856 I C 2.012 178.103 176.117 -0.044 0.000 1.117 856 I CA 1.117 62.361 61.300 -0.095 0.000 1.404 856 I CB -0.110 37.728 38.000 -0.270 0.000 1.071 856 I HN 0.072 nan 8.210 nan 0.000 0.419 857 L N -0.822 120.377 121.223 -0.041 0.000 2.017 857 L HA -0.254 4.085 4.340 -0.002 0.000 0.208 857 L C 2.629 179.470 176.870 -0.049 0.000 1.073 857 L CA 1.355 56.214 54.840 0.031 0.000 0.745 857 L CB -0.900 41.193 42.059 0.056 0.000 0.894 857 L HN 0.353 nan 8.230 nan 0.000 0.432 858 H N -0.559 118.494 119.070 -0.027 0.000 2.353 858 H HA -0.099 4.456 4.556 -0.002 0.000 0.300 858 H C 2.196 177.465 175.328 -0.098 0.000 1.090 858 H CA 1.521 57.522 56.048 -0.080 0.000 1.327 858 H CB -0.158 29.593 29.762 -0.018 0.000 1.383 858 H HN 0.387 nan 8.280 nan 0.000 0.508 859 G N 0.373 109.217 108.800 0.072 0.000 2.422 859 G HA2 -0.269 3.690 3.960 -0.002 0.000 0.218 859 G HA3 -0.269 3.690 3.960 -0.002 0.000 0.218 859 G C 1.628 176.528 174.900 -0.000 0.000 1.146 859 G CA 0.465 45.577 45.100 0.020 0.000 0.769 859 G HN 0.335 nan 8.290 nan 0.000 0.547 860 F N 1.518 121.391 119.950 -0.128 0.000 2.134 860 F HA 0.030 4.556 4.527 -0.002 0.000 0.299 860 F C 2.525 178.185 175.800 -0.233 0.000 1.097 860 F CA 1.936 59.856 58.000 -0.133 0.000 1.264 860 F CB -0.113 38.866 39.000 -0.034 0.000 1.001 860 F HN 0.103 nan 8.300 nan 0.000 0.479 861 K N 0.169 120.292 120.400 -0.461 0.000 2.097 861 K HA -0.205 4.114 4.320 -0.002 0.000 0.206 861 K C 1.735 178.097 176.600 -0.397 0.000 1.049 861 K CA 1.681 57.532 56.287 -0.725 0.000 0.933 861 K CB -0.269 31.633 32.500 -0.996 0.000 0.717 861 K HN 0.287 nan 8.250 nan 0.000 0.442 862 N N 0.900 119.449 118.700 -0.251 0.000 2.270 862 N HA -0.112 4.627 4.740 -0.002 0.000 0.181 862 N C 1.622 177.043 175.510 -0.149 0.000 1.016 862 N CA 1.026 53.986 53.050 -0.150 0.000 0.870 862 N CB -0.002 38.437 38.487 -0.080 0.000 0.979 862 N HN 0.366 nan 8.380 nan 0.000 0.431 863 Q N -0.058 119.627 119.800 -0.191 0.000 2.245 863 Q HA 0.072 4.411 4.340 -0.002 0.000 0.201 863 Q C 1.879 177.742 176.000 -0.227 0.000 0.955 863 Q CA 0.392 56.089 55.803 -0.178 0.000 0.870 863 Q CB 0.268 28.907 28.738 -0.164 0.000 0.945 863 Q HN 0.071 nan 8.270 nan 0.000 0.461 864 V N -0.408 119.301 119.914 -0.342 0.000 3.052 864 V HA 0.184 4.303 4.120 -0.002 0.000 0.254 864 V C 0.544 176.534 176.094 -0.174 0.000 1.100 864 V CA 1.260 63.353 62.300 -0.345 0.000 1.112 864 V CB -0.078 31.389 31.823 -0.593 0.000 0.738 864 V HN 0.508 nan 8.190 nan 0.000 0.469 865 G N 0.113 108.836 108.800 -0.129 0.000 2.690 865 G HA2 -0.178 3.781 3.960 -0.002 0.000 0.686 865 G HA3 -0.178 3.781 3.960 -0.002 0.000 0.686 865 G C -0.267 174.647 174.900 0.024 0.000 1.277 865 G CA -0.004 45.066 45.100 -0.050 0.000 0.799 865 G HN 0.248 nan 8.290 nan 0.000 0.613 866 D N 0.542 120.970 120.400 0.046 0.000 2.123 866 D HA 0.057 4.696 4.640 -0.002 0.000 0.200 866 D C 2.319 178.713 176.300 0.157 0.000 0.976 866 D CA 1.613 55.682 54.000 0.115 0.000 0.831 866 D CB 0.056 40.903 40.800 0.079 0.000 0.974 866 D HN 0.555 nan 8.370 nan 0.000 0.469 867 E N 0.534 120.790 120.200 0.092 0.000 2.028 867 E HA -0.067 4.282 4.350 -0.002 0.000 0.191 867 E C 1.769 178.419 176.600 0.084 0.000 0.988 867 E CA 0.763 57.208 56.400 0.075 0.000 0.799 867 E CB -0.195 29.528 29.700 0.040 0.000 0.755 867 E HN 0.157 nan 8.360 nan 0.000 0.447 868 N N -0.024 118.718 118.700 0.070 0.000 2.289 868 N HA -0.167 4.572 4.740 -0.002 0.000 0.184 868 N C 1.422 177.012 175.510 0.134 0.000 1.016 868 N CA 0.703 53.784 53.050 0.053 0.000 0.872 868 N CB -0.293 38.184 38.487 -0.017 0.000 0.973 868 N HN 0.386 nan 8.380 nan 0.000 0.433 869 W N 2.776 124.077 121.300 0.001 0.000 2.402 869 W HA -0.095 4.564 4.660 -0.002 0.000 0.286 869 W C 2.031 178.659 176.519 0.181 0.000 1.221 869 W CA 0.720 58.123 57.345 0.096 0.000 1.257 869 W CB 0.009 29.486 29.460 0.027 0.000 1.120 869 W HN 0.052 nan 8.180 nan 0.000 0.551 870 R N 0.623 121.152 120.500 0.047 0.000 2.075 870 R HA -0.109 4.230 4.340 -0.002 0.000 0.226 870 R C 2.256 178.518 176.300 -0.064 0.000 1.114 870 R CA 0.575 56.642 56.100 -0.055 0.000 0.972 870 R CB -0.689 29.644 30.300 0.054 0.000 0.869 870 R HN -0.101 nan 8.270 nan 0.000 0.437 871 R N 0.314 120.812 120.500 -0.004 0.000 2.120 871 R HA -0.114 4.225 4.340 -0.002 0.000 0.234 871 R C 1.895 178.189 176.300 -0.010 0.000 1.123 871 R CA 1.076 57.173 56.100 -0.005 0.000 0.975 871 R CB -0.896 29.414 30.300 0.017 0.000 0.866 871 R HN 0.262 nan 8.270 nan 0.000 0.446 872 F N 1.156 120.984 119.950 -0.204 0.000 2.128 872 F HA -0.154 4.372 4.527 -0.002 0.000 0.295 872 F C 2.305 177.874 175.800 -0.385 0.000 1.100 872 F CA 1.790 59.611 58.000 -0.299 0.000 1.260 872 F CB -0.601 38.236 39.000 -0.272 0.000 1.009 872 F HN 0.076 nan 8.300 nan 0.000 0.476 873 S N -0.865 114.575 115.700 -0.434 0.000 2.453 873 S HA -0.139 4.330 4.470 -0.002 0.000 0.231 873 S C 1.570 176.152 174.600 -0.031 0.000 1.005 873 S CA 1.111 59.197 58.200 -0.189 0.000 0.949 873 S CB -0.618 62.251 63.200 -0.551 0.000 0.774 873 S HN 0.361 nan 8.310 nan 0.000 0.510 874 D N 1.636 121.959 120.400 -0.128 0.000 2.264 874 D HA -0.026 4.613 4.640 -0.002 0.000 0.208 874 D C 1.988 178.223 176.300 -0.108 0.000 0.966 874 D CA 0.726 54.679 54.000 -0.079 0.000 0.864 874 D CB -0.189 40.574 40.800 -0.062 0.000 0.933 874 D HN 0.420 nan 8.370 nan 0.000 0.499 875 Q N -0.340 119.316 119.800 -0.240 0.000 2.311 875 Q HA -0.012 4.327 4.340 -0.002 0.000 0.203 875 Q C 0.488 176.312 176.000 -0.293 0.000 0.954 875 Q CA 0.150 55.779 55.803 -0.291 0.000 0.885 875 Q CB -0.260 28.241 28.738 -0.395 0.000 0.963 875 Q HN 0.305 nan 8.270 nan 0.000 0.471 876 F N 2.213 122.005 119.950 -0.262 0.000 2.553 876 F HA 0.061 4.588 4.527 -0.002 0.000 0.356 876 F C -1.425 174.312 175.800 -0.105 0.000 1.142 876 F CA -1.745 56.141 58.000 -0.189 0.000 1.322 876 F CB -0.463 38.413 39.000 -0.207 0.000 1.126 876 F HN -0.057 nan 8.300 nan 0.000 0.599 877 P HA -0.004 nan 4.420 nan 0.000 0.268 877 P C 0.516 177.859 177.300 0.072 0.000 1.208 877 P CA 0.013 63.161 63.100 0.080 0.000 0.777 877 P CB 0.567 32.309 31.700 0.070 0.000 0.875 878 L N 4.151 125.396 121.223 0.036 0.000 2.093 878 L HA -0.050 4.289 4.340 -0.002 0.000 0.208 878 L C -0.716 176.155 176.870 0.001 0.000 1.085 878 L CA 2.040 56.891 54.840 0.019 0.000 0.755 878 L CB -1.870 40.197 42.059 0.014 0.000 0.904 878 L HN 0.473 nan 8.230 nan 0.000 0.435 879 P HA -0.185 nan 4.420 nan 0.000 0.219 879 P C 1.722 178.988 177.300 -0.056 0.000 1.146 879 P CA 1.017 64.102 63.100 -0.026 0.000 0.808 879 P CB 0.109 31.796 31.700 -0.022 0.000 0.779 880 L N -0.276 120.922 121.223 -0.040 0.000 2.131 880 L HA 0.036 4.375 4.340 -0.002 0.000 0.206 880 L C 2.143 178.936 176.870 -0.129 0.000 1.087 880 L CA 1.854 56.648 54.840 -0.076 0.000 0.767 880 L CB -1.142 40.912 42.059 -0.008 0.000 0.917 880 L HN -0.237 nan 8.230 nan 0.000 0.441 881 K N -0.449 119.890 120.400 -0.102 0.000 2.063 881 K HA -0.201 4.118 4.320 -0.002 0.000 0.208 881 K C 1.974 178.551 176.600 -0.038 0.000 1.048 881 K CA 1.917 58.142 56.287 -0.104 0.000 0.928 881 K CB -0.008 32.470 32.500 -0.036 0.000 0.713 881 K HN 0.453 nan 8.250 nan 0.000 0.442 882 E N -0.203 119.984 120.200 -0.022 0.000 2.015 882 E HA -0.196 4.153 4.350 -0.002 0.000 0.191 882 E C 2.195 178.801 176.600 0.011 0.000 0.991 882 E CA 0.909 57.314 56.400 0.009 0.000 0.802 882 E CB -0.091 29.614 29.700 0.009 0.000 0.759 882 E HN 0.200 nan 8.360 nan 0.000 0.447 883 R N 0.847 121.294 120.500 -0.089 0.000 2.103 883 R HA -0.187 4.152 4.340 -0.002 0.000 0.242 883 R C 2.407 178.660 176.300 -0.079 0.000 1.142 883 R CA 1.165 57.096 56.100 -0.280 0.000 0.960 883 R CB -0.285 29.702 30.300 -0.523 0.000 0.858 883 R HN 0.163 nan 8.270 nan 0.000 0.439 884 L N -0.192 121.059 121.223 0.047 0.000 2.046 884 L HA -0.161 4.178 4.340 -0.002 0.000 0.208 884 L C 2.628 179.671 176.870 0.289 0.000 1.077 884 L CA 1.437 56.431 54.840 0.257 0.000 0.747 884 L CB -0.386 41.767 42.059 0.157 0.000 0.896 884 L HN 0.332 nan 8.230 nan 0.000 0.432 885 A N -0.578 122.352 122.820 0.184 0.000 1.897 885 A HA -0.068 4.251 4.320 -0.002 0.000 0.215 885 A C 2.430 180.125 177.584 0.185 0.000 1.181 885 A CA 1.469 53.614 52.037 0.180 0.000 0.620 885 A CB -0.602 18.475 19.000 0.129 0.000 0.821 885 A HN 0.396 nan 8.150 nan 0.000 0.443 886 A N -1.505 121.437 122.820 0.203 0.000 1.930 886 A HA 0.187 4.506 4.320 -0.002 0.000 0.215 886 A C 1.806 179.525 177.584 0.226 0.000 1.176 886 A CA 1.304 53.477 52.037 0.228 0.000 0.632 886 A CB -0.494 18.686 19.000 0.299 0.000 0.819 886 A HN 0.417 nan 8.150 nan 0.000 0.445 887 F N -2.542 117.309 119.950 -0.165 0.000 2.446 887 F HA 0.175 4.701 4.527 -0.002 0.000 0.292 887 F C 1.488 176.932 175.800 -0.594 0.000 1.096 887 F CA 0.445 58.162 58.000 -0.472 0.000 1.438 887 F CB -0.240 38.297 39.000 -0.772 0.000 1.107 887 F HN 0.315 nan 8.300 nan 0.000 0.546 888 Y N -1.667 118.811 120.300 0.296 0.000 2.448 888 Y HA 0.417 4.966 4.550 -0.002 0.000 0.257 888 Y C 1.713 177.795 175.900 0.304 0.000 1.089 888 Y CA -0.007 58.263 58.100 0.284 0.000 1.245 888 Y CB 0.265 38.913 38.460 0.313 0.000 1.282 888 Y HN -0.062 nan 8.280 nan 0.000 0.529 889 G N 1.347 110.355 108.800 0.347 0.000 2.225 889 G HA2 -0.164 3.795 3.960 -0.002 0.000 0.264 889 G HA3 -0.164 3.795 3.960 -0.002 0.000 0.264 889 G C -0.477 174.584 174.900 0.269 0.000 1.060 889 G CA 0.454 45.724 45.100 0.284 0.000 0.833 889 G HN 0.231 nan 8.290 nan 0.000 0.498 890 V N 0.000 120.042 119.914 0.214 0.000 2.409 890 V HA 0.000 4.119 4.120 -0.002 0.000 0.244 890 V CA 0.000 62.376 62.300 0.126 0.000 1.235 890 V CB 0.000 31.630 31.823 -0.322 0.000 1.184 890 V HN 0.000 nan 8.190 nan 0.000 0.556