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 1rwf_1_A DATA FIRST_RESID 4 DATA SEQUENCE PGAAEFAALR NRWVDQITGR NVIQAGDPDF AKAITALNNK AADSLAKLDA DATA SEQUENCE AAGRTSVFTD LSLAKDAEMV TTYTRLSQLA TAWATPTAAV FGDAAVLAAI DATA SEQUENCE KAGLADANTL CYNDRKEEVG NWWSWEIGVP RALADAMVLL HAELSAAERT DATA SEQUENCE AYCAAIDHFV PDPWLQFPPK RGKITSVGAN RVDLCQGIII RSLAGEDPTK DATA SEQUENCE LNHAVAGLSQ VWQYVTSGDG IFRDGSFIQH STTPYTGSYG VVLLTGLSKL DATA SEQUENCE FSLLGGTAFE VSDPTRSIFF DAVEGSFAPV MINGAMADAV RGRSISREAN DATA SEQUENCE TGYDLGASAI EAILLLARAM DPATAARWRG LCAGWIARDT YRPILNSASV DATA SEQUENCE PRTALVKQLE ATGVAPVAEA TGHKLFPAMD RTMHRGPGWA LSLALSSNRI DATA SEQUENCE AWYECGNGEN NRGYHTGSGM TYFYTSDLGQ YDDAFWATAN YNRLPGITVD DATA SEQUENCE TTPLPDKVEG QWGAAVPADE WSGATALGEV AAVGQHLVGP GRTGLTARKS DATA SEQUENCE WFVSGDVTVC LGADISTASG AKVETIVDHR NLHQGSNTLT TAAGTIAGTA DATA SEQUENCE GTVEVLGDGR WVHLEGFGGY AMLDDSPLHV LRETRSGSWS GVNINGSATV DATA SEQUENCE QQRNFATLYV NHGVGPVAGS YAYMVAPGAS VDLTRKLLEG NKYSVIRNDA DATA SEQUENCE TAQSVEFKTA KTTAATFWKP GMAGDLGASG PACVVFSRHG NELSLAVSEP DATA SEQUENCE TQKAAGLTLT LPEGTWSSVL EGAGTLGTDA DGRSTLTLDT TGLSGKTKLI DATA SEQUENCE KLKR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 P HA 0.000 nan 4.420 nan 0.000 0.216 4 P C 0.000 177.389 177.300 0.149 0.000 1.155 4 P CA 0.000 63.111 63.100 0.017 0.000 0.800 4 P CB 0.000 31.770 31.700 0.116 0.000 0.726 5 G N 0.301 109.147 108.800 0.076 0.000 2.613 5 G HA2 0.566 4.526 3.960 0.001 0.000 0.303 5 G HA3 0.566 4.526 3.960 0.001 0.000 0.303 5 G C 0.834 175.895 174.900 0.268 0.000 1.312 5 G CA -0.199 45.003 45.100 0.170 0.000 1.036 5 G HN 0.403 nan 8.290 nan 0.000 0.513 6 A N -0.502 122.451 122.820 0.222 0.000 1.908 6 A HA 0.135 4.455 4.320 0.001 0.000 0.218 6 A C 2.687 180.376 177.584 0.175 0.000 1.181 6 A CA 2.664 54.832 52.037 0.218 0.000 0.627 6 A CB -0.884 18.201 19.000 0.142 0.000 0.818 6 A HN 1.283 nan 8.150 nan 0.000 0.445 7 A N -0.347 122.541 122.820 0.113 0.000 1.898 7 A HA -0.100 4.221 4.320 0.001 0.000 0.216 7 A C 1.885 179.507 177.584 0.064 0.000 1.181 7 A CA 1.924 54.008 52.037 0.079 0.000 0.620 7 A CB -0.447 18.583 19.000 0.051 0.000 0.819 7 A HN 0.471 nan 8.150 nan 0.000 0.442 8 E N -0.489 119.728 120.200 0.029 0.000 2.072 8 E HA -0.089 4.261 4.350 0.001 0.000 0.191 8 E C 1.557 178.125 176.600 -0.054 0.000 0.985 8 E CA 1.167 57.538 56.400 -0.048 0.000 0.801 8 E CB -0.505 29.106 29.700 -0.148 0.000 0.750 8 E HN 0.709 nan 8.360 nan 0.000 0.452 9 F N 0.573 120.576 119.950 0.087 0.000 2.171 9 F HA -0.147 4.380 4.527 0.001 0.000 0.300 9 F C 2.308 178.104 175.800 -0.006 0.000 1.090 9 F CA 0.876 58.903 58.000 0.045 0.000 1.293 9 F CB -0.289 38.726 39.000 0.026 0.000 1.013 9 F HN 0.049 nan 8.300 nan 0.000 0.486 10 A N 0.032 122.951 122.820 0.166 0.000 1.902 10 A HA -0.111 4.209 4.320 0.001 0.000 0.217 10 A C 2.356 179.988 177.584 0.080 0.000 1.181 10 A CA 1.677 53.762 52.037 0.080 0.000 0.623 10 A CB -1.228 17.820 19.000 0.080 0.000 0.818 10 A HN 0.316 nan 8.150 nan 0.000 0.443 11 A N -0.443 122.424 122.820 0.078 0.000 1.933 11 A HA -0.005 4.316 4.320 0.001 0.000 0.218 11 A C 2.165 179.805 177.584 0.092 0.000 1.175 11 A CA 1.443 53.524 52.037 0.072 0.000 0.628 11 A CB -0.550 18.481 19.000 0.052 0.000 0.814 11 A HN 0.459 nan 8.150 nan 0.000 0.444 12 L N -1.066 120.213 121.223 0.094 0.000 2.056 12 L HA -0.166 4.174 4.340 0.001 0.000 0.207 12 L C 2.880 179.843 176.870 0.155 0.000 1.078 12 L CA 1.313 56.224 54.840 0.117 0.000 0.749 12 L CB -0.369 41.744 42.059 0.090 0.000 0.901 12 L HN 0.342 nan 8.230 nan 0.000 0.433 13 R N -0.419 120.160 120.500 0.131 0.000 2.075 13 R HA -0.121 4.219 4.340 0.001 0.000 0.232 13 R C 2.081 178.496 176.300 0.192 0.000 1.126 13 R CA 1.238 57.426 56.100 0.147 0.000 0.963 13 R CB -0.392 29.925 30.300 0.028 0.000 0.858 13 R HN 0.408 nan 8.270 nan 0.000 0.435 14 N N 0.732 119.517 118.700 0.141 0.000 2.166 14 N HA -0.169 4.572 4.740 0.001 0.000 0.186 14 N C 1.744 177.340 175.510 0.144 0.000 1.019 14 N CA 0.962 54.091 53.050 0.132 0.000 0.856 14 N CB -0.156 38.390 38.487 0.098 0.000 0.993 14 N HN 0.231 nan 8.380 nan 0.000 0.426 15 R N -0.109 120.488 120.500 0.162 0.000 2.096 15 R HA -0.121 4.219 4.340 0.001 0.000 0.235 15 R C 2.250 178.693 176.300 0.238 0.000 1.127 15 R CA 0.969 57.172 56.100 0.172 0.000 0.968 15 R CB -0.311 30.095 30.300 0.177 0.000 0.861 15 R HN 0.397 nan 8.270 nan 0.000 0.440 16 W N 0.644 121.985 121.300 0.068 0.000 2.381 16 W HA -0.162 4.498 4.660 0.001 0.000 0.301 16 W C 1.496 178.060 176.519 0.075 0.000 1.205 16 W CA 1.168 58.556 57.345 0.071 0.000 1.285 16 W CB -0.014 29.489 29.460 0.072 0.000 1.133 16 W HN -0.037 nan 8.180 nan 0.000 0.521 17 V N 1.300 121.317 119.914 0.172 0.000 2.343 17 V HA -0.318 3.802 4.120 0.001 0.000 0.247 17 V C 2.007 178.096 176.094 -0.008 0.000 1.051 17 V CA 2.332 64.669 62.300 0.061 0.000 1.036 17 V CB -1.040 30.869 31.823 0.144 0.000 0.654 17 V HN 0.017 nan 8.190 nan 0.000 0.451 18 D N -0.457 119.957 120.400 0.024 0.000 2.123 18 D HA -0.223 4.417 4.640 0.001 0.000 0.196 18 D C 2.173 178.442 176.300 -0.052 0.000 0.992 18 D CA 1.525 55.524 54.000 -0.001 0.000 0.833 18 D CB -0.234 40.582 40.800 0.026 0.000 0.954 18 D HN 0.517 nan 8.370 nan 0.000 0.455 19 Q N 0.191 119.933 119.800 -0.096 0.000 2.079 19 Q HA -0.093 4.247 4.340 0.001 0.000 0.200 19 Q C 2.336 178.181 176.000 -0.259 0.000 0.974 19 Q CA 0.957 56.661 55.803 -0.165 0.000 0.840 19 Q CB 0.043 28.660 28.738 -0.202 0.000 0.898 19 Q HN 0.477 nan 8.270 nan 0.000 0.430 20 I N -2.257 118.080 120.570 -0.388 0.000 3.419 20 I HA 0.048 4.218 4.170 0.001 0.000 0.286 20 I C 1.727 177.751 176.117 -0.155 0.000 1.268 20 I CA 1.112 62.200 61.300 -0.353 0.000 1.414 20 I CB -0.103 37.582 38.000 -0.525 0.000 1.074 20 I HN 0.054 nan 8.210 nan 0.000 0.457 21 T N -2.727 111.768 114.554 -0.097 0.000 3.023 21 T HA 0.344 4.694 4.350 0.001 0.000 0.249 21 T C 1.716 176.405 174.700 -0.019 0.000 1.050 21 T CA 0.625 62.707 62.100 -0.031 0.000 1.088 21 T CB 0.094 68.963 68.868 0.002 0.000 0.946 21 T HN 0.600 nan 8.240 nan 0.000 0.480 22 G N 2.954 111.738 108.800 -0.027 0.000 2.153 22 G HA2 -0.381 3.579 3.960 0.001 0.000 0.252 22 G HA3 -0.381 3.579 3.960 0.001 0.000 0.252 22 G C 0.994 175.863 174.900 -0.052 0.000 0.994 22 G CA 0.638 45.734 45.100 -0.006 0.000 0.698 22 G HN 0.848 nan 8.290 nan 0.000 0.521 23 R N 0.479 120.945 120.500 -0.057 0.000 2.152 23 R HA -0.105 4.235 4.340 0.001 0.000 0.232 23 R C 1.908 178.139 176.300 -0.114 0.000 1.117 23 R CA 1.700 57.743 56.100 -0.095 0.000 0.981 23 R CB -0.530 29.734 30.300 -0.060 0.000 0.870 23 R HN 0.524 nan 8.270 nan 0.000 0.451 24 N N 1.292 119.944 118.700 -0.081 0.000 2.412 24 N HA -0.055 4.685 4.740 0.001 0.000 0.184 24 N C 1.218 176.667 175.510 -0.102 0.000 1.101 24 N CA 0.940 53.944 53.050 -0.076 0.000 0.881 24 N CB 0.728 39.194 38.487 -0.035 0.000 0.969 24 N HN 0.364 nan 8.380 nan 0.000 0.459 25 V N -2.992 116.840 119.914 -0.136 0.000 3.252 25 V HA 0.464 4.585 4.120 0.001 0.000 0.320 25 V C 0.411 176.242 176.094 -0.438 0.000 1.459 25 V CA -0.754 61.446 62.300 -0.167 0.000 1.095 25 V CB -0.578 31.224 31.823 -0.034 0.000 0.997 25 V HN -0.075 nan 8.190 nan 0.000 0.469 26 I N 2.263 122.490 120.570 -0.572 0.000 2.598 26 I HA 0.168 4.339 4.170 0.001 0.000 0.284 26 I C 0.443 176.073 176.117 -0.811 0.000 1.140 26 I CA 0.683 61.350 61.300 -1.055 0.000 1.420 26 I CB 0.651 38.290 38.000 -0.602 0.000 1.387 26 I HN 0.361 nan 8.210 nan 0.000 0.553 27 Q N 5.618 124.825 119.800 -0.988 0.000 2.303 27 Q HA 0.510 4.850 4.340 0.001 0.000 0.257 27 Q C -0.078 175.818 176.000 -0.173 0.000 0.941 27 Q CA -0.785 54.825 55.803 -0.321 0.000 0.931 27 Q CB 1.664 30.377 28.738 -0.041 0.000 1.215 27 Q HN 0.795 nan 8.270 nan 0.000 0.437 28 A N 2.012 124.754 122.820 -0.130 0.000 2.546 28 A HA 0.377 4.697 4.320 0.001 0.000 0.243 28 A C 1.275 178.844 177.584 -0.025 0.000 1.063 28 A CA 0.771 52.760 52.037 -0.080 0.000 0.757 28 A CB -0.479 18.476 19.000 -0.074 0.000 0.991 28 A HN 1.057 nan 8.150 nan 0.000 0.503 29 G N 1.663 110.458 108.800 -0.008 0.000 2.168 29 G HA2 -0.245 3.716 3.960 0.001 0.000 0.263 29 G HA3 -0.245 3.716 3.960 0.001 0.000 0.263 29 G C 0.138 175.062 174.900 0.041 0.000 0.977 29 G CA 0.493 45.600 45.100 0.012 0.000 0.659 29 G HN 1.078 nan 8.290 nan 0.000 0.533 30 D N 0.739 121.190 120.400 0.085 0.000 2.312 30 D HA 0.287 4.928 4.640 0.001 0.000 0.252 30 D C -0.242 176.128 176.300 0.115 0.000 1.150 30 D CA -1.227 52.855 54.000 0.136 0.000 0.870 30 D CB 1.516 42.499 40.800 0.305 0.000 1.153 30 D HN 0.168 nan 8.370 nan 0.000 0.457 31 P HA -0.072 nan 4.420 nan 0.000 0.219 31 P C 0.630 177.931 177.300 0.002 0.000 1.150 31 P CA 0.680 63.796 63.100 0.026 0.000 0.814 31 P CB 0.599 32.303 31.700 0.006 0.000 0.787 32 D N -0.689 119.689 120.400 -0.037 0.000 2.149 32 D HA -0.061 4.579 4.640 0.001 0.000 0.201 32 D C 2.005 178.205 176.300 -0.167 0.000 0.972 32 D CA 0.871 54.793 54.000 -0.129 0.000 0.835 32 D CB -0.679 39.991 40.800 -0.216 0.000 0.966 32 D HN 0.189 nan 8.370 nan 0.000 0.476 33 F N 1.930 121.864 119.950 -0.026 0.000 2.134 33 F HA -0.164 4.364 4.527 0.001 0.000 0.299 33 F C 2.636 178.417 175.800 -0.032 0.000 1.097 33 F CA 1.028 59.010 58.000 -0.032 0.000 1.264 33 F CB -0.305 38.673 39.000 -0.037 0.000 1.001 33 F HN -0.081 nan 8.300 nan 0.000 0.479 34 A N -0.018 122.890 122.820 0.146 0.000 1.933 34 A HA -0.216 4.105 4.320 0.001 0.000 0.218 34 A C 2.154 179.762 177.584 0.039 0.000 1.175 34 A CA 1.704 53.785 52.037 0.074 0.000 0.628 34 A CB -0.589 18.438 19.000 0.045 0.000 0.814 34 A HN 0.330 nan 8.150 nan 0.000 0.444 35 K N -0.432 119.976 120.400 0.014 0.000 2.097 35 K HA -0.031 4.290 4.320 0.001 0.000 0.205 35 K C 2.285 178.881 176.600 -0.008 0.000 1.050 35 K CA 1.031 57.313 56.287 -0.008 0.000 0.938 35 K CB -0.288 32.194 32.500 -0.030 0.000 0.718 35 K HN 0.448 nan 8.250 nan 0.000 0.442 36 A N 1.444 124.259 122.820 -0.007 0.000 1.930 36 A HA -0.134 4.186 4.320 0.001 0.000 0.217 36 A C 2.020 179.621 177.584 0.029 0.000 1.175 36 A CA 1.133 53.170 52.037 0.000 0.000 0.627 36 A CB -0.391 18.605 19.000 -0.006 0.000 0.815 36 A HN 0.107 nan 8.150 nan 0.000 0.443 37 I N -0.055 120.545 120.570 0.051 0.000 2.315 37 I HA -0.155 4.015 4.170 0.001 0.000 0.248 37 I C 2.427 178.560 176.117 0.027 0.000 1.117 37 I CA 1.803 63.127 61.300 0.040 0.000 1.404 37 I CB -1.797 36.225 38.000 0.038 0.000 1.071 37 I HN 0.239 nan 8.210 nan 0.000 0.419 38 T N 1.459 116.025 114.554 0.020 0.000 2.720 38 T HA -0.136 4.215 4.350 0.001 0.000 0.268 38 T C 2.062 176.768 174.700 0.009 0.000 1.037 38 T CA 1.611 63.719 62.100 0.013 0.000 1.144 38 T CB -0.211 68.661 68.868 0.007 0.000 0.864 38 T HN 0.464 nan 8.240 nan 0.000 0.444 39 A N 1.053 123.875 122.820 0.004 0.000 1.898 39 A HA 0.035 4.355 4.320 0.001 0.000 0.216 39 A C 2.240 179.826 177.584 0.004 0.000 1.181 39 A CA 1.199 53.234 52.037 -0.003 0.000 0.620 39 A CB -0.804 18.188 19.000 -0.013 0.000 0.819 39 A HN 0.422 nan 8.150 nan 0.000 0.442 40 L N 0.434 121.665 121.223 0.014 0.000 2.012 40 L HA -0.214 4.126 4.340 0.001 0.000 0.210 40 L C 1.918 178.807 176.870 0.033 0.000 1.073 40 L CA 2.337 57.192 54.840 0.025 0.000 0.748 40 L CB -0.616 41.464 42.059 0.035 0.000 0.891 40 L HN 0.333 nan 8.230 nan 0.000 0.431 41 N N 0.071 118.791 118.700 0.033 0.000 2.120 41 N HA -0.164 4.577 4.740 0.001 0.000 0.188 41 N C 1.600 177.127 175.510 0.029 0.000 1.024 41 N CA 1.459 54.532 53.050 0.038 0.000 0.852 41 N CB -0.638 37.870 38.487 0.034 0.000 1.003 41 N HN 0.432 nan 8.380 nan 0.000 0.424 42 N N 0.863 119.574 118.700 0.017 0.000 2.188 42 N HA -0.127 4.613 4.740 0.001 0.000 0.184 42 N C 1.664 177.177 175.510 0.005 0.000 1.018 42 N CA 0.794 53.850 53.050 0.010 0.000 0.858 42 N CB -0.189 38.299 38.487 0.002 0.000 0.989 42 N HN 0.225 nan 8.380 nan 0.000 0.426 43 K N 1.470 121.870 120.400 0.001 0.000 2.057 43 K HA 0.106 4.427 4.320 0.001 0.000 0.206 43 K C 1.773 178.373 176.600 -0.001 0.000 1.050 43 K CA 1.236 57.517 56.287 -0.010 0.000 0.935 43 K CB -0.578 31.913 32.500 -0.015 0.000 0.715 43 K HN 0.067 nan 8.250 nan 0.000 0.439 44 A N 0.647 123.481 122.820 0.024 0.000 1.902 44 A HA -0.046 4.274 4.320 0.001 0.000 0.217 44 A C 2.398 180.011 177.584 0.049 0.000 1.181 44 A CA 2.093 54.157 52.037 0.045 0.000 0.623 44 A CB -1.127 17.916 19.000 0.071 0.000 0.818 44 A HN 0.431 nan 8.150 nan 0.000 0.443 45 A N -0.162 122.683 122.820 0.040 0.000 1.933 45 A HA -0.195 4.125 4.320 0.001 0.000 0.218 45 A C 1.811 179.415 177.584 0.033 0.000 1.175 45 A CA 2.154 54.215 52.037 0.040 0.000 0.628 45 A CB -0.753 18.267 19.000 0.032 0.000 0.814 45 A HN 0.582 nan 8.150 nan 0.000 0.444 46 D N -0.546 119.863 120.400 0.014 0.000 2.104 46 D HA -0.120 4.520 4.640 0.001 0.000 0.194 46 D C 2.123 178.422 176.300 -0.000 0.000 0.994 46 D CA 1.780 55.780 54.000 -0.001 0.000 0.830 46 D CB -0.005 40.781 40.800 -0.024 0.000 0.959 46 D HN 0.348 nan 8.370 nan 0.000 0.452 47 S N -0.576 115.116 115.700 -0.013 0.000 2.368 47 S HA -0.103 4.367 4.470 0.001 0.000 0.225 47 S C 2.055 176.779 174.600 0.206 0.000 1.030 47 S CA 0.673 58.873 58.200 -0.001 0.000 0.999 47 S CB -0.310 62.858 63.200 -0.054 0.000 0.844 47 S HN 0.299 nan 8.310 nan 0.000 0.459 48 L N 1.110 122.422 121.223 0.149 0.000 2.141 48 L HA -0.074 4.267 4.340 0.001 0.000 0.209 48 L C 2.658 179.593 176.870 0.109 0.000 1.094 48 L CA 1.027 55.949 54.840 0.137 0.000 0.763 48 L CB -0.594 41.518 42.059 0.088 0.000 0.908 48 L HN 0.315 nan 8.230 nan 0.000 0.437 49 A N -0.226 122.646 122.820 0.086 0.000 2.125 49 A HA -0.169 4.151 4.320 0.001 0.000 0.219 49 A C 2.096 179.730 177.584 0.083 0.000 1.156 49 A CA 1.385 53.461 52.037 0.065 0.000 0.671 49 A CB -0.244 18.782 19.000 0.044 0.000 0.794 49 A HN 0.354 nan 8.150 nan 0.000 0.459 50 K N -0.743 119.742 120.400 0.142 0.000 2.358 50 K HA 0.334 4.654 4.320 0.001 0.000 0.197 50 K C -0.396 176.359 176.600 0.259 0.000 1.025 50 K CA -0.337 56.063 56.287 0.188 0.000 1.104 50 K CB 0.165 32.766 32.500 0.168 0.000 0.855 50 K HN 0.377 nan 8.250 nan 0.000 0.531 51 L N 2.214 123.537 121.223 0.167 0.000 2.525 51 L HA -0.043 4.298 4.340 0.001 0.000 0.278 51 L C 0.412 177.248 176.870 -0.056 0.000 1.218 51 L CA 0.001 54.812 54.840 -0.048 0.000 0.878 51 L CB 0.172 42.173 42.059 -0.096 0.000 1.127 51 L HN 0.111 nan 8.230 nan 0.000 0.492 52 D N 2.704 123.028 120.400 -0.127 0.000 2.338 52 D HA 0.190 4.831 4.640 0.001 0.000 0.255 52 D C 0.438 176.685 176.300 -0.088 0.000 1.237 52 D CA 0.022 53.972 54.000 -0.083 0.000 0.883 52 D CB 1.703 42.450 40.800 -0.089 0.000 1.087 52 D HN 0.576 nan 8.370 nan 0.000 0.485 53 A N 3.494 126.282 122.820 -0.052 0.000 2.308 53 A HA 0.442 4.762 4.320 0.001 0.000 0.217 53 A C 1.096 178.658 177.584 -0.036 0.000 1.216 53 A CA 0.224 52.234 52.037 -0.045 0.000 0.864 53 A CB 0.022 19.005 19.000 -0.028 0.000 0.902 53 A HN 0.616 nan 8.150 nan 0.000 0.499 54 A N 0.405 123.206 122.820 -0.032 0.000 2.483 54 A HA 0.537 4.857 4.320 0.001 0.000 0.238 54 A C 0.849 178.419 177.584 -0.024 0.000 1.070 54 A CA 0.217 52.240 52.037 -0.022 0.000 0.770 54 A CB -0.217 18.773 19.000 -0.017 0.000 1.008 54 A HN 1.350 nan 8.150 nan 0.000 0.497 55 A N 1.391 124.200 122.820 -0.017 0.000 2.511 55 A HA 0.487 4.807 4.320 0.001 0.000 0.242 55 A C 1.518 179.093 177.584 -0.014 0.000 1.069 55 A CA 0.573 52.601 52.037 -0.015 0.000 0.763 55 A CB -0.775 18.219 19.000 -0.011 0.000 1.001 55 A HN 2.769 nan 8.150 nan 0.000 0.498 56 G N 2.090 110.881 108.800 -0.014 0.000 2.305 56 G HA2 -0.293 3.667 3.960 0.001 0.000 0.287 56 G HA3 -0.293 3.667 3.960 0.001 0.000 0.287 56 G C 0.308 175.201 174.900 -0.012 0.000 1.036 56 G CA 0.571 45.665 45.100 -0.010 0.000 0.887 56 G HN 1.445 nan 8.290 nan 0.000 0.505 57 R N -1.153 119.334 120.500 -0.022 0.000 2.698 57 R HA 0.400 4.740 4.340 0.001 0.000 0.266 57 R C 1.196 177.485 176.300 -0.019 0.000 1.026 57 R CA 0.640 56.725 56.100 -0.026 0.000 1.102 57 R CB 0.169 30.439 30.300 -0.049 0.000 0.978 57 R HN 0.490 nan 8.270 nan 0.000 0.436 58 T N -2.115 112.433 114.554 -0.011 0.000 3.044 58 T HA 0.130 4.480 4.350 0.001 0.000 0.260 58 T C 0.346 175.046 174.700 0.001 0.000 1.019 58 T CA 0.045 62.147 62.100 0.003 0.000 0.921 58 T CB 0.072 68.949 68.868 0.016 0.000 1.053 58 T HN 0.683 nan 8.240 nan 0.000 0.533 59 S N -0.598 115.090 115.700 -0.020 0.000 2.627 59 S HA 0.666 5.136 4.470 0.001 0.000 0.283 59 S C 0.521 175.061 174.600 -0.100 0.000 1.127 59 S CA -0.591 57.590 58.200 -0.031 0.000 0.863 59 S CB 1.791 64.993 63.200 0.002 0.000 1.121 59 S HN -0.090 nan 8.310 nan 0.000 0.479 60 V N -0.300 119.518 119.914 -0.160 0.000 2.685 60 V HA 0.338 4.458 4.120 0.001 0.000 0.244 60 V C -0.358 175.382 176.094 -0.590 0.000 1.054 60 V CA 0.773 62.838 62.300 -0.392 0.000 1.076 60 V CB -0.642 30.874 31.823 -0.510 0.000 0.725 60 V HN 0.745 nan 8.190 nan 0.000 0.467 61 F N 0.282 120.194 119.950 -0.063 0.000 2.495 61 F HA 0.350 4.877 4.527 0.001 0.000 0.327 61 F C 1.581 177.362 175.800 -0.032 0.000 1.103 61 F CA -0.217 57.754 58.000 -0.047 0.000 0.949 61 F CB 1.645 40.614 39.000 -0.052 0.000 1.142 61 F HN -0.074 nan 8.300 nan 0.000 0.457 62 T N -3.302 111.341 114.554 0.148 0.000 2.977 62 T HA -0.167 4.184 4.350 0.001 0.000 0.271 62 T C 0.846 175.592 174.700 0.077 0.000 1.105 62 T CA 1.426 63.573 62.100 0.079 0.000 1.116 62 T CB -0.315 68.586 68.868 0.056 0.000 0.878 62 T HN 0.645 nan 8.240 nan 0.000 0.509 63 D N 0.507 120.965 120.400 0.096 0.000 2.402 63 D HA 0.158 4.798 4.640 0.001 0.000 0.216 63 D C 0.154 176.484 176.300 0.049 0.000 1.128 63 D CA -0.350 53.683 54.000 0.055 0.000 0.833 63 D CB -0.189 40.628 40.800 0.029 0.000 0.971 63 D HN 0.409 nan 8.370 nan 0.000 0.503 64 L N 0.740 122.013 121.223 0.083 0.000 2.404 64 L HA 0.281 4.621 4.340 0.001 0.000 0.272 64 L C -0.275 176.634 176.870 0.065 0.000 0.980 64 L CA -0.804 54.076 54.840 0.066 0.000 0.836 64 L CB 2.184 44.295 42.059 0.087 0.000 1.238 64 L HN -0.135 nan 8.230 nan 0.000 0.408 65 S N 2.805 118.533 115.700 0.046 0.000 2.489 65 S HA 0.363 4.834 4.470 0.001 0.000 0.277 65 S C 1.136 175.764 174.600 0.048 0.000 1.230 65 S CA -0.610 57.619 58.200 0.047 0.000 1.053 65 S CB 0.717 63.945 63.200 0.047 0.000 0.955 65 S HN 0.615 nan 8.310 nan 0.000 0.488 66 L N 4.163 125.418 121.223 0.054 0.000 2.456 66 L HA -0.000 4.340 4.340 0.001 0.000 0.224 66 L C 2.359 179.289 176.870 0.099 0.000 1.148 66 L CA 0.907 55.788 54.840 0.067 0.000 0.825 66 L CB -0.540 41.565 42.059 0.075 0.000 0.937 66 L HN 0.816 nan 8.230 nan 0.000 0.450 67 A N -0.422 122.455 122.820 0.096 0.000 2.251 67 A HA 0.049 4.369 4.320 0.001 0.000 0.209 67 A C 0.762 178.416 177.584 0.117 0.000 1.187 67 A CA 0.258 52.368 52.037 0.122 0.000 0.823 67 A CB -0.056 19.004 19.000 0.101 0.000 0.846 67 A HN 0.211 nan 8.150 nan 0.000 0.486 68 K N 0.599 121.047 120.400 0.080 0.000 2.339 68 K HA 0.252 4.572 4.320 0.001 0.000 0.264 68 K C -0.214 176.400 176.600 0.023 0.000 0.986 68 K CA 0.065 56.391 56.287 0.066 0.000 0.866 68 K CB 1.476 34.004 32.500 0.046 0.000 1.103 68 K HN 0.382 nan 8.250 nan 0.000 0.441 69 D N 2.460 122.877 120.400 0.027 0.000 2.149 69 D HA -0.230 4.411 4.640 0.001 0.000 0.198 69 D C 1.475 177.689 176.300 -0.143 0.000 0.990 69 D CA 1.250 55.176 54.000 -0.124 0.000 0.839 69 D CB 0.106 40.856 40.800 -0.083 0.000 0.948 69 D HN 0.450 nan 8.370 nan 0.000 0.460 70 A N 0.406 123.196 122.820 -0.049 0.000 1.969 70 A HA -0.150 4.170 4.320 0.001 0.000 0.218 70 A C 2.099 179.659 177.584 -0.039 0.000 1.169 70 A CA 1.281 53.297 52.037 -0.036 0.000 0.635 70 A CB -0.491 18.501 19.000 -0.013 0.000 0.810 70 A HN 0.307 nan 8.150 nan 0.000 0.445 71 E N -0.909 119.272 120.200 -0.030 0.000 2.216 71 E HA -0.083 4.267 4.350 0.001 0.000 0.192 71 E C 1.959 178.547 176.600 -0.021 0.000 0.988 71 E CA 0.807 57.195 56.400 -0.020 0.000 0.834 71 E CB -0.212 29.489 29.700 0.002 0.000 0.772 71 E HN 0.763 nan 8.360 nan 0.000 0.479 72 M N 0.911 120.481 119.600 -0.050 0.000 2.117 72 M HA -0.159 4.321 4.480 0.001 0.000 0.262 72 M C 2.099 178.387 176.300 -0.020 0.000 1.065 72 M CA 1.376 56.647 55.300 -0.049 0.000 1.114 72 M CB 0.048 32.550 32.600 -0.162 0.000 1.361 72 M HN -0.023 nan 8.290 nan 0.000 0.408 73 V N 0.634 120.490 119.914 -0.097 0.000 2.287 73 V HA -0.273 3.847 4.120 0.001 0.000 0.248 73 V C 2.317 178.408 176.094 -0.005 0.000 1.053 73 V CA 2.456 64.713 62.300 -0.070 0.000 1.027 73 V CB -1.360 30.434 31.823 -0.048 0.000 0.646 73 V HN 0.579 nan 8.190 nan 0.000 0.447 74 T N -0.656 113.882 114.554 -0.027 0.000 2.833 74 T HA -0.183 4.167 4.350 0.001 0.000 0.269 74 T C 1.928 176.578 174.700 -0.083 0.000 1.054 74 T CA 1.850 63.915 62.100 -0.059 0.000 1.135 74 T CB -0.391 68.427 68.868 -0.083 0.000 0.869 74 T HN 0.559 nan 8.240 nan 0.000 0.466 75 T N 1.018 115.556 114.554 -0.026 0.000 2.665 75 T HA -0.131 4.219 4.350 0.001 0.000 0.268 75 T C 1.603 176.289 174.700 -0.022 0.000 1.035 75 T CA 1.413 63.542 62.100 0.049 0.000 1.151 75 T CB -0.506 68.374 68.868 0.020 0.000 0.862 75 T HN 0.472 nan 8.240 nan 0.000 0.438 76 Y N 1.433 121.701 120.300 -0.053 0.000 2.263 76 Y HA -0.119 4.432 4.550 0.000 0.000 0.292 76 Y C 3.104 178.963 175.900 -0.069 0.000 1.130 76 Y CA 1.385 59.429 58.100 -0.094 0.000 1.179 76 Y CB -0.640 37.691 38.460 -0.215 0.000 0.998 76 Y HN 0.344 nan 8.280 nan 0.000 0.532 77 T N -1.811 112.780 114.554 0.062 0.000 2.867 77 T HA -0.140 4.211 4.350 0.001 0.000 0.268 77 T C 1.843 176.535 174.700 -0.013 0.000 1.057 77 T CA 1.047 63.158 62.100 0.018 0.000 1.136 77 T CB -0.239 68.628 68.868 -0.002 0.000 0.874 77 T HN 0.248 nan 8.240 nan 0.000 0.466 78 R N 0.591 121.048 120.500 -0.071 0.000 2.075 78 R HA 0.169 4.509 4.340 0.001 0.000 0.232 78 R C 2.546 178.866 176.300 0.033 0.000 1.126 78 R CA 1.217 57.247 56.100 -0.117 0.000 0.963 78 R CB -0.581 29.439 30.300 -0.467 0.000 0.858 78 R HN 0.389 nan 8.270 nan 0.000 0.435 79 L N 0.474 121.750 121.223 0.089 0.000 2.056 79 L HA -0.162 4.178 4.340 0.001 0.000 0.207 79 L C 2.661 179.570 176.870 0.065 0.000 1.078 79 L CA 1.488 56.379 54.840 0.086 0.000 0.749 79 L CB -0.515 41.544 42.059 -0.001 0.000 0.901 79 L HN 0.290 nan 8.230 nan 0.000 0.433 80 S N -1.130 114.612 115.700 0.070 0.000 2.402 80 S HA -0.239 4.231 4.470 0.001 0.000 0.229 80 S C 1.983 176.630 174.600 0.079 0.000 1.021 80 S CA 0.815 59.064 58.200 0.082 0.000 0.974 80 S CB -0.349 62.904 63.200 0.088 0.000 0.800 80 S HN 0.401 nan 8.310 nan 0.000 0.484 81 Q N 1.259 121.093 119.800 0.057 0.000 2.084 81 Q HA -0.004 4.337 4.340 0.001 0.000 0.202 81 Q C 2.212 178.262 176.000 0.083 0.000 0.978 81 Q CA 1.412 57.247 55.803 0.053 0.000 0.844 81 Q CB -0.431 28.319 28.738 0.019 0.000 0.898 81 Q HN 0.672 nan 8.270 nan 0.000 0.426 82 L N 0.169 121.445 121.223 0.088 0.000 2.046 82 L HA -0.177 4.163 4.340 0.001 0.000 0.208 82 L C 2.553 179.519 176.870 0.160 0.000 1.077 82 L CA 1.179 56.088 54.840 0.116 0.000 0.747 82 L CB -0.582 41.539 42.059 0.104 0.000 0.896 82 L HN 0.179 nan 8.230 nan 0.000 0.432 83 A N -0.755 122.147 122.820 0.135 0.000 1.930 83 A HA -0.179 4.141 4.320 0.001 0.000 0.217 83 A C 2.337 180.098 177.584 0.296 0.000 1.175 83 A CA 2.140 54.293 52.037 0.193 0.000 0.627 83 A CB -0.791 18.279 19.000 0.116 0.000 0.815 83 A HN 0.375 nan 8.150 nan 0.000 0.443 84 T N 0.364 115.036 114.554 0.197 0.000 2.708 84 T HA -0.069 4.281 4.350 0.001 0.000 0.266 84 T C 2.261 177.073 174.700 0.187 0.000 1.037 84 T CA 1.749 63.948 62.100 0.165 0.000 1.146 84 T CB -0.486 68.439 68.868 0.094 0.000 0.865 84 T HN 0.603 nan 8.240 nan 0.000 0.435 85 A N 0.486 123.416 122.820 0.183 0.000 1.877 85 A HA -0.134 4.187 4.320 0.001 0.000 0.216 85 A C 2.067 179.808 177.584 0.261 0.000 1.186 85 A CA 1.729 53.876 52.037 0.183 0.000 0.620 85 A CB -1.289 17.802 19.000 0.152 0.000 0.822 85 A HN 0.748 nan 8.150 nan 0.000 0.443 86 W N 0.595 121.954 121.300 0.098 0.000 2.364 86 W HA -0.067 4.594 4.660 0.001 0.000 0.281 86 W C 1.909 178.487 176.519 0.098 0.000 1.219 86 W CA 1.833 59.217 57.345 0.065 0.000 1.220 86 W CB 0.091 29.559 29.460 0.013 0.000 1.127 86 W HN 0.318 nan 8.180 nan 0.000 0.556 87 A N -0.630 122.306 122.820 0.194 0.000 2.308 87 A HA 0.238 4.559 4.320 0.001 0.000 0.217 87 A C 0.489 178.217 177.584 0.241 0.000 1.216 87 A CA 0.503 52.586 52.037 0.078 0.000 0.864 87 A CB -0.416 18.718 19.000 0.224 0.000 0.902 87 A HN 0.017 nan 8.150 nan 0.000 0.499 88 T N 3.082 117.790 114.554 0.255 0.000 2.753 88 T HA 0.422 4.772 4.350 0.001 0.000 0.297 88 T C -2.843 171.700 174.700 -0.262 0.000 0.981 88 T CA -1.140 60.984 62.100 0.041 0.000 0.956 88 T CB 1.209 70.099 68.868 0.037 0.000 0.936 88 T HN 0.025 nan 8.240 nan 0.000 0.463 89 P HA 0.028 nan 4.420 nan 0.000 0.264 89 P C 1.009 177.957 177.300 -0.586 0.000 1.183 89 P CA 0.856 63.234 63.100 -1.204 0.000 0.763 89 P CB 0.316 31.561 31.700 -0.759 0.000 0.807 90 T N -1.086 113.167 114.554 -0.501 0.000 7.013 90 T HA -0.276 4.074 4.350 0.001 0.000 0.288 90 T C 0.472 175.127 174.700 -0.075 0.000 2.146 90 T CA 0.724 62.705 62.100 -0.200 0.000 3.498 90 T CB -2.337 66.438 68.868 -0.155 0.000 1.517 90 T HN 0.647 nan 8.240 nan 0.000 1.113 91 A N 1.014 123.808 122.820 -0.043 0.000 2.425 91 A HA 0.832 5.152 4.320 0.001 0.000 0.242 91 A C 1.972 179.610 177.584 0.091 0.000 1.077 91 A CA 0.792 52.857 52.037 0.047 0.000 0.781 91 A CB -0.091 18.964 19.000 0.091 0.000 1.020 91 A HN 1.618 nan 8.150 nan 0.000 0.494 92 A N 0.949 123.816 122.820 0.078 0.000 1.940 92 A HA -0.037 4.283 4.320 0.001 0.000 0.219 92 A C 1.693 179.342 177.584 0.108 0.000 1.176 92 A CA 2.255 54.340 52.037 0.080 0.000 0.631 92 A CB -0.952 18.085 19.000 0.062 0.000 0.814 92 A HN 1.907 nan 8.150 nan 0.000 0.446 93 V N -3.939 116.055 119.914 0.133 0.000 3.514 93 V HA 0.359 4.479 4.120 0.001 0.000 0.301 93 V C 0.639 176.826 176.094 0.155 0.000 1.346 93 V CA -0.652 61.740 62.300 0.153 0.000 1.156 93 V CB -1.504 30.421 31.823 0.170 0.000 1.029 93 V HN 0.311 nan 8.190 nan 0.000 0.428 94 F N 3.311 123.244 119.950 -0.028 0.000 2.590 94 F HA 0.494 5.022 4.527 0.001 0.000 0.389 94 F C 1.479 177.133 175.800 -0.244 0.000 1.049 94 F CA 0.922 58.817 58.000 -0.175 0.000 1.199 94 F CB 0.080 38.987 39.000 -0.155 0.000 1.058 94 F HN 0.481 nan 8.300 nan 0.000 0.556 95 G N 4.140 112.124 108.800 -1.361 0.000 2.187 95 G HA2 -0.329 3.631 3.960 0.001 0.000 0.261 95 G HA3 -0.329 3.631 3.960 0.001 0.000 0.261 95 G C 0.094 174.893 174.900 -0.169 0.000 1.000 95 G CA 0.334 44.827 45.100 -1.012 0.000 0.718 95 G HN 0.914 nan 8.290 nan 0.000 0.519 96 D N 0.451 120.903 120.400 0.086 0.000 2.338 96 D HA 0.517 5.157 4.640 0.001 0.000 0.255 96 D C 1.555 177.999 176.300 0.240 0.000 1.237 96 D CA 0.399 54.498 54.000 0.164 0.000 0.883 96 D CB 0.898 41.788 40.800 0.151 0.000 1.087 96 D HN 0.286 nan 8.370 nan 0.000 0.485 97 A N 4.093 127.002 122.820 0.149 0.000 1.972 97 A HA -0.072 4.248 4.320 0.001 0.000 0.219 97 A C 2.071 179.682 177.584 0.046 0.000 1.169 97 A CA 1.660 53.761 52.037 0.108 0.000 0.635 97 A CB -0.240 18.801 19.000 0.069 0.000 0.810 97 A HN 0.654 nan 8.150 nan 0.000 0.446 98 A N -0.663 122.185 122.820 0.046 0.000 1.897 98 A HA 0.070 4.390 4.320 0.001 0.000 0.215 98 A C 2.196 179.785 177.584 0.008 0.000 1.181 98 A CA 1.575 53.623 52.037 0.019 0.000 0.620 98 A CB -0.765 18.249 19.000 0.023 0.000 0.821 98 A HN 0.335 nan 8.150 nan 0.000 0.443 99 V N -0.118 119.822 119.914 0.042 0.000 2.358 99 V HA -0.219 3.901 4.120 0.001 0.000 0.246 99 V C 2.487 178.545 176.094 -0.059 0.000 1.047 99 V CA 1.881 64.202 62.300 0.034 0.000 1.035 99 V CB -0.777 31.115 31.823 0.115 0.000 0.658 99 V HN 0.606 nan 8.190 nan 0.000 0.452 100 L N 1.180 122.326 121.223 -0.128 0.000 1.990 100 L HA -0.182 4.158 4.340 0.001 0.000 0.213 100 L C 2.457 179.184 176.870 -0.238 0.000 1.072 100 L CA 2.626 57.235 54.840 -0.385 0.000 0.755 100 L CB -1.022 40.736 42.059 -0.503 0.000 0.889 100 L HN 0.233 nan 8.230 nan 0.000 0.432 101 A N -0.645 122.096 122.820 -0.132 0.000 1.940 101 A HA -0.110 4.211 4.320 0.001 0.000 0.219 101 A C 2.440 179.966 177.584 -0.097 0.000 1.176 101 A CA 1.924 53.901 52.037 -0.100 0.000 0.631 101 A CB -1.187 17.777 19.000 -0.059 0.000 0.814 101 A HN 0.634 nan 8.150 nan 0.000 0.446 102 A N -0.075 122.691 122.820 -0.090 0.000 1.930 102 A HA -0.046 4.274 4.320 0.001 0.000 0.217 102 A C 2.097 179.609 177.584 -0.121 0.000 1.175 102 A CA 1.430 53.409 52.037 -0.097 0.000 0.627 102 A CB -0.571 18.387 19.000 -0.071 0.000 0.815 102 A HN 0.507 nan 8.150 nan 0.000 0.443 103 I N -0.484 120.012 120.570 -0.124 0.000 2.179 103 I HA -0.287 3.884 4.170 0.001 0.000 0.242 103 I C 2.465 178.506 176.117 -0.127 0.000 1.088 103 I CA 1.697 62.921 61.300 -0.125 0.000 1.357 103 I CB -0.323 37.586 38.000 -0.153 0.000 1.051 103 I HN 0.268 nan 8.210 nan 0.000 0.409 104 K N 0.906 121.229 120.400 -0.128 0.000 2.057 104 K HA -0.147 4.174 4.320 0.001 0.000 0.207 104 K C 2.246 178.817 176.600 -0.048 0.000 1.049 104 K CA 1.566 57.809 56.287 -0.073 0.000 0.931 104 K CB -0.283 32.168 32.500 -0.082 0.000 0.714 104 K HN 0.329 nan 8.250 nan 0.000 0.440 105 A N 1.033 123.807 122.820 -0.077 0.000 1.969 105 A HA -0.047 4.273 4.320 0.001 0.000 0.218 105 A C 2.375 179.892 177.584 -0.110 0.000 1.169 105 A CA 1.717 53.710 52.037 -0.073 0.000 0.635 105 A CB -0.977 17.973 19.000 -0.084 0.000 0.810 105 A HN 0.422 nan 8.150 nan 0.000 0.445 106 G N -0.045 108.654 108.800 -0.168 0.000 2.418 106 G HA2 -0.155 3.805 3.960 0.001 0.000 0.217 106 G HA3 -0.155 3.805 3.960 0.001 0.000 0.217 106 G C 1.545 176.301 174.900 -0.240 0.000 1.158 106 G CA 1.025 45.977 45.100 -0.247 0.000 0.771 106 G HN 0.425 nan 8.290 nan 0.000 0.545 107 L N 0.619 121.725 121.223 -0.195 0.000 2.056 107 L HA -0.028 4.312 4.340 0.001 0.000 0.207 107 L C 3.406 180.200 176.870 -0.126 0.000 1.078 107 L CA 0.958 55.652 54.840 -0.244 0.000 0.749 107 L CB -0.367 41.565 42.059 -0.212 0.000 0.901 107 L HN 0.310 nan 8.230 nan 0.000 0.433 108 A N -0.046 122.799 122.820 0.043 0.000 1.877 108 A HA -0.217 4.103 4.320 0.001 0.000 0.216 108 A C 1.919 179.552 177.584 0.082 0.000 1.186 108 A CA 2.003 54.136 52.037 0.160 0.000 0.620 108 A CB -0.477 18.591 19.000 0.113 0.000 0.822 108 A HN 0.346 nan 8.150 nan 0.000 0.443 109 D N -0.078 120.321 120.400 -0.003 0.000 2.149 109 D HA 0.055 4.695 4.640 0.001 0.000 0.201 109 D C 2.165 178.461 176.300 -0.006 0.000 0.972 109 D CA 1.307 55.301 54.000 -0.011 0.000 0.835 109 D CB -0.429 40.337 40.800 -0.057 0.000 0.966 109 D HN 0.410 nan 8.370 nan 0.000 0.476 110 A N 1.038 123.813 122.820 -0.074 0.000 1.972 110 A HA -0.213 4.108 4.320 0.001 0.000 0.219 110 A C 1.972 179.655 177.584 0.164 0.000 1.169 110 A CA 1.460 53.470 52.037 -0.046 0.000 0.635 110 A CB -0.736 18.040 19.000 -0.375 0.000 0.810 110 A HN 0.284 nan 8.150 nan 0.000 0.446 111 N N -0.768 118.041 118.700 0.183 0.000 2.080 111 N HA -0.152 4.588 4.740 0.001 0.000 0.189 111 N C 1.681 177.328 175.510 0.228 0.000 1.036 111 N CA 1.988 55.212 53.050 0.290 0.000 0.846 111 N CB -0.201 38.504 38.487 0.363 0.000 1.015 111 N HN 0.365 nan 8.380 nan 0.000 0.423 112 T N 1.716 116.367 114.554 0.163 0.000 2.684 112 T HA -0.085 4.265 4.350 0.001 0.000 0.267 112 T C 1.960 176.725 174.700 0.109 0.000 1.036 112 T CA 1.085 63.254 62.100 0.115 0.000 1.148 112 T CB -0.156 68.759 68.868 0.078 0.000 0.863 112 T HN 0.205 nan 8.240 nan 0.000 0.436 113 L N -0.933 120.356 121.223 0.109 0.000 2.240 113 L HA 0.114 4.454 4.340 0.001 0.000 0.211 113 L C 2.392 179.352 176.870 0.150 0.000 1.106 113 L CA 0.544 55.445 54.840 0.102 0.000 0.793 113 L CB -0.045 42.058 42.059 0.072 0.000 0.927 113 L HN 0.468 nan 8.230 nan 0.000 0.446 114 C N -2.685 116.743 119.300 0.214 0.000 3.246 114 C HA 0.121 4.582 4.460 0.001 0.000 0.356 114 C C 0.118 175.361 174.990 0.423 0.000 2.005 114 C CA -0.528 58.671 59.018 0.303 0.000 1.822 114 C CB -0.087 27.826 27.740 0.288 0.000 2.052 114 C HN 0.301 nan 8.230 nan 0.000 0.597 115 Y N 4.741 125.241 120.300 0.334 0.000 2.751 115 Y HA 0.555 5.105 4.550 0.001 0.000 0.333 115 Y C -0.130 176.007 175.900 0.395 0.000 1.122 115 Y CA 0.288 58.637 58.100 0.415 0.000 1.367 115 Y CB -0.409 38.208 38.460 0.261 0.000 1.242 115 Y HN 0.735 nan 8.280 nan 0.000 0.505 116 N N 0.345 119.179 118.700 0.224 0.000 2.774 116 N HA 0.183 4.923 4.740 0.001 0.000 0.264 116 N C -0.365 175.075 175.510 -0.117 0.000 1.415 116 N CA -0.670 52.447 53.050 0.111 0.000 0.815 116 N CB 0.475 39.025 38.487 0.105 0.000 1.514 116 N HN 0.208 nan 8.380 nan 0.000 0.523 117 D N -0.927 119.336 120.400 -0.229 0.000 2.378 117 D HA -0.047 4.594 4.640 0.001 0.000 0.227 117 D C 0.413 176.170 176.300 -0.906 0.000 1.012 117 D CA 0.547 54.191 54.000 -0.594 0.000 0.905 117 D CB -0.055 40.564 40.800 -0.301 0.000 0.895 117 D HN 0.581 nan 8.370 nan 0.000 0.532 118 R N -0.774 119.419 120.500 -0.512 0.000 2.397 118 R HA 0.155 4.496 4.340 0.001 0.000 0.241 118 R C 0.255 176.407 176.300 -0.247 0.000 0.914 118 R CA -0.426 55.455 56.100 -0.366 0.000 1.071 118 R CB 0.430 30.627 30.300 -0.172 0.000 1.116 118 R HN -0.098 nan 8.270 nan 0.000 0.524 119 K N 2.213 122.488 120.400 -0.208 0.000 2.201 119 K HA 0.085 4.405 4.320 0.001 0.000 0.278 119 K C -0.626 176.031 176.600 0.095 0.000 1.027 119 K CA -0.270 56.038 56.287 0.034 0.000 0.909 119 K CB 1.036 33.678 32.500 0.236 0.000 1.062 119 K HN -0.098 nan 8.250 nan 0.000 0.465 120 E N 2.991 123.191 120.200 0.001 0.000 2.354 120 E HA 0.017 4.368 4.350 0.001 0.000 0.269 120 E C -0.713 175.711 176.600 -0.294 0.000 1.036 120 E CA -0.248 56.110 56.400 -0.070 0.000 0.876 120 E CB 0.609 30.269 29.700 -0.066 0.000 1.009 120 E HN 0.590 nan 8.360 nan 0.000 0.416 121 E N 1.669 121.626 120.200 -0.405 0.000 2.413 121 E HA 0.077 4.428 4.350 0.001 0.000 0.263 121 E C -0.870 175.416 176.600 -0.522 0.000 1.015 121 E CA 0.040 55.829 56.400 -1.018 0.000 0.916 121 E CB 1.135 30.422 29.700 -0.688 0.000 0.947 121 E HN 0.165 nan 8.360 nan 0.000 0.440 122 V N 2.466 122.175 119.914 -0.343 0.000 2.577 122 V HA 0.576 4.696 4.120 0.001 0.000 0.303 122 V C 0.582 176.924 176.094 0.414 0.000 1.042 122 V CA 0.159 62.530 62.300 0.119 0.000 0.872 122 V CB 1.062 32.999 31.823 0.190 0.000 0.998 122 V HN 1.042 nan 8.190 nan 0.000 0.423 123 G N 4.736 113.708 108.800 0.286 0.000 2.512 123 G HA2 -0.230 3.731 3.960 0.001 0.000 0.240 123 G HA3 -0.230 3.731 3.960 0.001 0.000 0.240 123 G C -0.115 174.998 174.900 0.354 0.000 1.246 123 G CA 0.116 45.397 45.100 0.300 0.000 0.919 123 G HN 0.966 nan 8.290 nan 0.000 0.577 124 N N 2.014 120.902 118.700 0.314 0.000 2.438 124 N HA 0.088 4.829 4.740 0.001 0.000 0.267 124 N C 1.780 177.502 175.510 0.353 0.000 1.222 124 N CA 0.315 53.523 53.050 0.263 0.000 0.930 124 N CB -0.062 38.505 38.487 0.134 0.000 1.083 124 N HN 0.756 nan 8.380 nan 0.000 0.476 125 W N 3.799 125.324 121.300 0.375 0.000 2.331 125 W HA -0.191 4.470 4.660 0.000 0.000 0.291 125 W C 1.286 178.062 176.519 0.428 0.000 1.214 125 W CA 0.139 57.742 57.345 0.430 0.000 1.228 125 W CB -1.241 28.467 29.460 0.414 0.000 1.135 125 W HN 0.690 nan 8.180 nan 0.000 0.537 126 W N 2.643 123.228 121.300 -1.193 0.000 2.363 126 W HA -0.200 4.460 4.660 0.001 0.000 0.296 126 W C 2.683 178.902 176.519 -0.501 0.000 1.212 126 W CA 3.340 59.920 57.345 -1.276 0.000 1.260 126 W CB -0.475 28.267 29.460 -1.198 0.000 1.131 126 W HN -0.212 nan 8.180 nan 0.000 0.530 127 S N -0.166 115.507 115.700 -0.046 0.000 2.370 127 S HA -0.262 4.208 4.470 0.001 0.000 0.226 127 S C 1.201 175.510 174.600 -0.485 0.000 1.033 127 S CA 1.910 59.955 58.200 -0.258 0.000 1.011 127 S CB -0.857 62.123 63.200 -0.367 0.000 0.852 127 S HN 0.493 nan 8.310 nan 0.000 0.457 128 W N 1.531 122.730 121.300 -0.168 0.000 2.476 128 W HA 0.128 4.788 4.660 0.001 0.000 0.281 128 W C 2.309 178.739 176.519 -0.149 0.000 1.230 128 W CA 0.202 57.409 57.345 -0.229 0.000 1.287 128 W CB -0.114 29.155 29.460 -0.318 0.000 1.108 128 W HN 0.329 nan 8.180 nan 0.000 0.567 129 E N -0.930 119.321 120.200 0.084 0.000 2.340 129 E HA 0.106 4.457 4.350 0.001 0.000 0.198 129 E C 1.748 178.254 176.600 -0.158 0.000 0.961 129 E CA 0.629 57.097 56.400 0.113 0.000 0.905 129 E CB 0.266 30.183 29.700 0.361 0.000 0.884 129 E HN 0.276 nan 8.360 nan 0.000 0.491 130 I N -0.443 119.793 120.570 -0.557 0.000 3.873 130 I HA 0.108 4.278 4.170 0.001 0.000 0.284 130 I C 2.272 177.832 176.117 -0.927 0.000 1.186 130 I CA 0.396 61.207 61.300 -0.816 0.000 1.362 130 I CB 0.114 37.338 38.000 -1.292 0.000 1.432 130 I HN 0.051 nan 8.210 nan 0.000 0.454 131 G N 1.103 109.167 108.800 -1.227 0.000 2.433 131 G HA2 -0.155 3.805 3.960 0.001 0.000 0.216 131 G HA3 -0.155 3.805 3.960 0.001 0.000 0.216 131 G C 1.613 176.220 174.900 -0.489 0.000 1.186 131 G CA 1.057 45.678 45.100 -0.798 0.000 0.779 131 G HN 0.152 nan 8.290 nan 0.000 0.543 132 V N 1.878 121.447 119.914 -0.575 0.000 2.283 132 V HA -0.058 4.063 4.120 0.001 0.000 0.243 132 V C 0.295 176.012 176.094 -0.628 0.000 1.039 132 V CA 1.977 63.814 62.300 -0.771 0.000 1.016 132 V CB -0.935 30.048 31.823 -1.399 0.000 0.650 132 V HN 0.253 nan 8.190 nan 0.000 0.449 133 P HA -0.158 nan 4.420 nan 0.000 0.216 133 P C 1.686 178.882 177.300 -0.173 0.000 1.153 133 P CA 1.510 64.477 63.100 -0.221 0.000 0.858 133 P CB -0.105 31.545 31.700 -0.082 0.000 0.789 134 R N -0.637 119.754 120.500 -0.181 0.000 2.081 134 R HA -0.058 4.282 4.340 0.001 0.000 0.235 134 R C 2.273 178.556 176.300 -0.029 0.000 1.131 134 R CA 1.609 57.661 56.100 -0.079 0.000 0.960 134 R CB -0.993 29.266 30.300 -0.069 0.000 0.856 134 R HN 0.170 nan 8.270 nan 0.000 0.436 135 A N 0.974 123.742 122.820 -0.086 0.000 1.898 135 A HA -0.089 4.232 4.320 0.001 0.000 0.214 135 A C 2.029 179.615 177.584 0.004 0.000 1.183 135 A CA 0.713 52.742 52.037 -0.014 0.000 0.622 135 A CB -0.325 18.668 19.000 -0.011 0.000 0.824 135 A HN 0.207 nan 8.150 nan 0.000 0.444 136 L N -0.124 121.028 121.223 -0.119 0.000 2.093 136 L HA 0.026 4.367 4.340 0.001 0.000 0.208 136 L C 2.565 179.443 176.870 0.013 0.000 1.085 136 L CA 2.033 56.822 54.840 -0.084 0.000 0.755 136 L CB -0.860 41.005 42.059 -0.323 0.000 0.904 136 L HN 0.326 nan 8.230 nan 0.000 0.435 137 A N -0.764 122.060 122.820 0.007 0.000 1.902 137 A HA -0.204 4.116 4.320 0.001 0.000 0.217 137 A C 2.000 179.659 177.584 0.124 0.000 1.181 137 A CA 1.792 53.860 52.037 0.052 0.000 0.623 137 A CB -0.805 18.195 19.000 0.000 0.000 0.818 137 A HN 0.503 nan 8.150 nan 0.000 0.443 138 D N 0.149 120.654 120.400 0.175 0.000 2.104 138 D HA -0.089 4.551 4.640 0.001 0.000 0.194 138 D C 2.243 178.680 176.300 0.228 0.000 0.994 138 D CA 1.648 55.826 54.000 0.297 0.000 0.830 138 D CB -0.466 40.502 40.800 0.280 0.000 0.959 138 D HN 0.419 nan 8.370 nan 0.000 0.452 139 A N 0.545 123.461 122.820 0.160 0.000 1.933 139 A HA -0.155 4.166 4.320 0.001 0.000 0.218 139 A C 2.288 179.964 177.584 0.153 0.000 1.175 139 A CA 1.270 53.389 52.037 0.136 0.000 0.628 139 A CB -0.512 18.546 19.000 0.096 0.000 0.814 139 A HN 0.155 nan 8.150 nan 0.000 0.444 140 M N -0.802 118.900 119.600 0.172 0.000 2.086 140 M HA -0.144 4.337 4.480 0.001 0.000 0.261 140 M C 2.143 178.584 176.300 0.235 0.000 1.067 140 M CA 1.495 56.916 55.300 0.202 0.000 1.116 140 M CB -0.457 32.268 32.600 0.209 0.000 1.348 140 M HN 0.281 nan 8.290 nan 0.000 0.407 141 V N 0.700 120.759 119.914 0.242 0.000 2.307 141 V HA -0.253 3.868 4.120 0.001 0.000 0.245 141 V C 2.282 178.554 176.094 0.296 0.000 1.045 141 V CA 1.570 64.034 62.300 0.275 0.000 1.024 141 V CB -0.618 31.375 31.823 0.284 0.000 0.651 141 V HN 0.445 nan 8.190 nan 0.000 0.449 142 L N -0.638 120.755 121.223 0.285 0.000 2.079 142 L HA -0.156 4.184 4.340 0.001 0.000 0.210 142 L C 1.828 178.890 176.870 0.321 0.000 1.081 142 L CA 1.474 56.492 54.840 0.296 0.000 0.752 142 L CB -0.287 41.931 42.059 0.265 0.000 0.896 142 L HN 0.307 nan 8.230 nan 0.000 0.433 143 L N -1.749 119.599 121.223 0.208 0.000 2.791 143 L HA 0.040 4.380 4.340 0.001 0.000 0.239 143 L C 1.730 178.682 176.870 0.136 0.000 1.203 143 L CA -0.206 54.688 54.840 0.091 0.000 1.002 143 L CB -0.425 41.598 42.059 -0.061 0.000 1.295 143 L HN 0.201 nan 8.230 nan 0.000 0.504 144 H N 1.454 120.601 119.070 0.129 0.000 2.387 144 H HA -0.169 4.387 4.556 0.001 0.000 0.299 144 H C 2.155 177.536 175.328 0.089 0.000 1.099 144 H CA 1.809 57.919 56.048 0.103 0.000 1.315 144 H CB 0.453 30.284 29.762 0.115 0.000 1.380 144 H HN 0.380 nan 8.280 nan 0.000 0.513 145 A N -0.095 122.855 122.820 0.218 0.000 2.209 145 A HA -0.047 4.274 4.320 0.001 0.000 0.212 145 A C 1.737 179.366 177.584 0.075 0.000 1.158 145 A CA 1.321 53.453 52.037 0.158 0.000 0.742 145 A CB 0.050 19.174 19.000 0.208 0.000 0.790 145 A HN 0.473 nan 8.150 nan 0.000 0.472 146 E N -0.872 119.345 120.200 0.027 0.000 2.391 146 E HA 0.230 4.581 4.350 0.001 0.000 0.206 146 E C 0.202 176.760 176.600 -0.070 0.000 0.851 146 E CA -0.076 56.306 56.400 -0.030 0.000 1.059 146 E CB -0.053 29.579 29.700 -0.114 0.000 1.065 146 E HN 0.518 nan 8.360 nan 0.000 0.512 147 L N 2.579 123.750 121.223 -0.085 0.000 2.417 147 L HA 0.116 4.456 4.340 0.001 0.000 0.268 147 L C 1.004 177.797 176.870 -0.129 0.000 1.158 147 L CA -0.348 54.436 54.840 -0.094 0.000 0.819 147 L CB 0.739 42.754 42.059 -0.072 0.000 1.112 147 L HN 0.009 nan 8.230 nan 0.000 0.458 148 S N 1.516 117.143 115.700 -0.120 0.000 2.645 148 S HA 0.355 4.825 4.470 0.001 0.000 0.266 148 S C 1.031 175.543 174.600 -0.148 0.000 1.258 148 S CA -0.186 57.942 58.200 -0.120 0.000 0.990 148 S CB 1.516 64.657 63.200 -0.099 0.000 0.967 148 S HN 0.685 nan 8.310 nan 0.000 0.556 149 A N 1.182 123.930 122.820 -0.121 0.000 1.933 149 A HA 0.155 4.475 4.320 0.001 0.000 0.218 149 A C 2.372 179.879 177.584 -0.128 0.000 1.175 149 A CA 1.770 53.738 52.037 -0.114 0.000 0.628 149 A CB -1.686 17.268 19.000 -0.078 0.000 0.814 149 A HN 1.332 nan 8.150 nan 0.000 0.444 150 A N -0.326 122.419 122.820 -0.126 0.000 1.930 150 A HA -0.146 4.174 4.320 0.001 0.000 0.217 150 A C 1.913 179.361 177.584 -0.227 0.000 1.175 150 A CA 1.616 53.571 52.037 -0.138 0.000 0.627 150 A CB -0.470 18.466 19.000 -0.106 0.000 0.815 150 A HN 0.633 nan 8.150 nan 0.000 0.443 151 E N -0.538 119.487 120.200 -0.292 0.000 2.051 151 E HA -0.181 4.169 4.350 0.001 0.000 0.192 151 E C 2.345 178.537 176.600 -0.680 0.000 0.991 151 E CA 1.075 57.129 56.400 -0.577 0.000 0.799 151 E CB -0.155 29.294 29.700 -0.419 0.000 0.748 151 E HN 0.513 nan 8.360 nan 0.000 0.449 152 R N 0.040 120.340 120.500 -0.334 0.000 2.091 152 R HA -0.118 4.223 4.340 0.001 0.000 0.238 152 R C 2.454 178.668 176.300 -0.144 0.000 1.136 152 R CA 1.738 57.730 56.100 -0.180 0.000 0.959 152 R CB -0.366 29.871 30.300 -0.105 0.000 0.856 152 R HN 0.134 nan 8.270 nan 0.000 0.437 153 T N 0.603 115.065 114.554 -0.152 0.000 2.746 153 T HA -0.149 4.201 4.350 0.001 0.000 0.267 153 T C 1.856 176.508 174.700 -0.079 0.000 1.039 153 T CA 1.431 63.475 62.100 -0.094 0.000 1.142 153 T CB -0.223 68.592 68.868 -0.089 0.000 0.866 153 T HN 0.401 nan 8.240 nan 0.000 0.444 154 A N 0.640 123.367 122.820 -0.155 0.000 1.902 154 A HA -0.084 4.237 4.320 0.001 0.000 0.217 154 A C 2.050 179.719 177.584 0.141 0.000 1.181 154 A CA 1.421 53.420 52.037 -0.064 0.000 0.623 154 A CB -0.848 18.071 19.000 -0.134 0.000 0.818 154 A HN 0.532 nan 8.150 nan 0.000 0.443 155 Y N -0.641 119.706 120.300 0.078 0.000 2.286 155 Y HA -0.105 4.446 4.550 0.001 0.000 0.293 155 Y C 2.862 178.831 175.900 0.116 0.000 1.124 155 Y CA -0.124 58.050 58.100 0.124 0.000 1.178 155 Y CB -1.615 36.913 38.460 0.113 0.000 1.010 155 Y HN 0.359 nan 8.280 nan 0.000 0.536 156 C N 0.079 119.502 119.300 0.205 0.000 2.413 156 C HA -0.154 4.306 4.460 0.001 0.000 0.277 156 C C 3.034 178.093 174.990 0.114 0.000 1.265 156 C CA 1.100 60.194 59.018 0.126 0.000 1.752 156 C CB -1.505 26.268 27.740 0.054 0.000 1.998 156 C HN 0.593 nan 8.230 nan 0.000 0.489 157 A N 0.359 123.235 122.820 0.093 0.000 1.930 157 A HA 0.130 4.450 4.320 0.001 0.000 0.217 157 A C 2.350 179.986 177.584 0.086 0.000 1.175 157 A CA 1.905 53.977 52.037 0.057 0.000 0.627 157 A CB -0.778 18.230 19.000 0.015 0.000 0.815 157 A HN 0.557 nan 8.150 nan 0.000 0.443 158 A N 0.198 123.116 122.820 0.163 0.000 1.858 158 A HA -0.093 4.227 4.320 0.001 0.000 0.216 158 A C 2.121 179.888 177.584 0.305 0.000 1.190 158 A CA 1.532 53.687 52.037 0.196 0.000 0.617 158 A CB -0.647 18.558 19.000 0.342 0.000 0.827 158 A HN 0.478 nan 8.150 nan 0.000 0.443 159 I N 0.028 120.815 120.570 0.361 0.000 2.163 159 I HA -0.269 3.902 4.170 0.001 0.000 0.243 159 I C 1.771 178.025 176.117 0.227 0.000 1.085 159 I CA 1.687 63.197 61.300 0.350 0.000 1.347 159 I CB -0.509 37.627 38.000 0.227 0.000 1.044 159 I HN 0.266 nan 8.210 nan 0.000 0.408 160 D N -0.581 119.901 120.400 0.135 0.000 2.219 160 D HA -0.217 4.423 4.640 0.001 0.000 0.205 160 D C 1.933 178.247 176.300 0.024 0.000 0.970 160 D CA 1.195 55.236 54.000 0.068 0.000 0.851 160 D CB -0.391 40.431 40.800 0.037 0.000 0.943 160 D HN 0.453 nan 8.370 nan 0.000 0.488 161 H N -0.287 118.705 119.070 -0.129 0.000 2.353 161 H HA -0.093 4.464 4.556 0.001 0.000 0.300 161 H C 1.685 176.772 175.328 -0.402 0.000 1.090 161 H CA 1.572 57.420 56.048 -0.332 0.000 1.327 161 H CB -0.455 28.988 29.762 -0.532 0.000 1.383 161 H HN 0.102 nan 8.280 nan 0.000 0.508 162 F N -0.739 119.129 119.950 -0.138 0.000 2.335 162 F HA 0.123 4.651 4.527 0.001 0.000 0.296 162 F C 0.730 176.519 175.800 -0.019 0.000 1.091 162 F CA 0.354 58.280 58.000 -0.122 0.000 1.399 162 F CB 0.656 39.706 39.000 0.083 0.000 1.067 162 F HN -0.041 nan 8.300 nan 0.000 0.520 163 V N 1.896 121.906 119.914 0.160 0.000 2.384 163 V HA 0.164 4.284 4.120 0.001 0.000 0.257 163 V C -1.757 174.374 176.094 0.062 0.000 0.969 163 V CA -0.963 61.412 62.300 0.125 0.000 0.910 163 V CB 0.718 32.631 31.823 0.150 0.000 1.150 163 V HN -0.064 nan 8.190 nan 0.000 0.481 164 P HA 0.036 nan 4.420 nan 0.000 0.225 164 P C 0.173 177.467 177.300 -0.010 0.000 1.156 164 P CA 1.088 64.179 63.100 -0.016 0.000 0.787 164 P CB 0.651 32.320 31.700 -0.051 0.000 0.802 165 D N -0.509 119.907 120.400 0.027 0.000 2.478 165 D HA 0.134 4.774 4.640 0.001 0.000 0.240 165 D C -2.221 174.171 176.300 0.153 0.000 1.364 165 D CA -2.017 52.021 54.000 0.063 0.000 0.987 165 D CB 1.574 42.372 40.800 -0.003 0.000 1.328 165 D HN -0.118 nan 8.370 nan 0.000 0.584 166 P HA 0.009 nan 4.420 nan 0.000 0.242 166 P C 0.818 178.283 177.300 0.276 0.000 1.197 166 P CA 0.217 63.442 63.100 0.209 0.000 0.765 166 P CB 0.046 31.853 31.700 0.178 0.000 0.936 167 W N 0.282 121.573 121.300 -0.015 0.000 2.937 167 W HA 0.200 4.861 4.660 0.001 0.000 0.245 167 W C 1.049 177.522 176.519 -0.077 0.000 1.306 167 W CA 0.216 57.522 57.345 -0.064 0.000 1.470 167 W CB -0.762 28.674 29.460 -0.040 0.000 1.132 167 W HN -0.096 nan 8.180 nan 0.000 0.675 168 L N 0.284 121.591 121.223 0.140 0.000 2.283 168 L HA 0.518 4.859 4.340 0.001 0.000 0.259 168 L C 0.018 176.834 176.870 -0.090 0.000 1.027 168 L CA -1.119 53.716 54.840 -0.007 0.000 0.828 168 L CB 1.996 44.058 42.059 0.005 0.000 1.380 168 L HN -0.175 nan 8.230 nan 0.000 0.425 169 Q N 0.527 120.162 119.800 -0.274 0.000 2.511 169 Q HA 0.722 5.063 4.340 0.001 0.000 0.289 169 Q C -1.266 174.460 176.000 -0.457 0.000 1.021 169 Q CA -0.831 54.731 55.803 -0.402 0.000 0.785 169 Q CB 2.912 31.158 28.738 -0.820 0.000 1.472 169 Q HN 0.526 nan 8.270 nan 0.000 0.411 170 F N -1.647 118.180 119.950 -0.205 0.000 2.183 170 F HA -0.113 4.415 4.527 0.000 0.000 0.318 170 F C -2.502 173.288 175.800 -0.017 0.000 1.244 170 F CA -0.865 57.045 58.000 -0.150 0.000 0.912 170 F CB -0.622 38.226 39.000 -0.253 0.000 4.134 170 F HN 0.584 nan 8.300 nan 0.000 0.138 171 P HA 0.128 nan 4.420 nan 0.000 0.274 171 P C -2.445 174.875 177.300 0.033 0.000 1.237 171 P CA -1.050 62.101 63.100 0.086 0.000 0.793 171 P CB 0.774 32.502 31.700 0.048 0.000 0.977 172 P HA -0.130 nan 4.420 nan 0.000 0.216 172 P C 1.580 178.868 177.300 -0.020 0.000 1.150 172 P CA 1.919 65.007 63.100 -0.020 0.000 0.843 172 P CB -0.069 31.605 31.700 -0.044 0.000 0.787 173 K N -0.753 119.630 120.400 -0.028 0.000 2.281 173 K HA -0.150 4.170 4.320 0.001 0.000 0.203 173 K C 2.191 178.766 176.600 -0.042 0.000 1.046 173 K CA 0.922 57.189 56.287 -0.033 0.000 0.938 173 K CB -0.076 32.402 32.500 -0.037 0.000 0.737 173 K HN -0.045 nan 8.250 nan 0.000 0.458 174 R N -0.537 119.934 120.500 -0.049 0.000 2.189 174 R HA 0.031 4.371 4.340 0.001 0.000 0.203 174 R C -0.333 175.940 176.300 -0.046 0.000 1.012 174 R CA 0.817 56.859 56.100 -0.096 0.000 1.015 174 R CB 0.537 30.709 30.300 -0.214 0.000 0.938 174 R HN 0.203 nan 8.270 nan 0.000 0.472 175 G N 1.847 110.650 108.800 0.004 0.000 3.322 175 G HA2 -0.184 3.776 3.960 0.001 0.000 0.686 175 G HA3 -0.184 3.776 3.960 0.001 0.000 0.686 175 G C -1.378 173.580 174.900 0.098 0.000 1.015 175 G CA -0.655 44.463 45.100 0.029 0.000 0.826 175 G HN 0.203 nan 8.290 nan 0.000 0.538 176 K N 1.509 121.945 120.400 0.059 0.000 2.205 176 K HA 0.678 4.999 4.320 0.001 0.000 0.279 176 K C 1.095 177.683 176.600 -0.020 0.000 1.027 176 K CA -0.409 55.901 56.287 0.037 0.000 0.932 176 K CB 1.515 34.013 32.500 -0.004 0.000 1.032 176 K HN 0.725 nan 8.250 nan 0.000 0.466 177 I N -2.078 118.406 120.570 -0.144 0.000 3.023 177 I HA 0.371 4.541 4.170 0.001 0.000 0.312 177 I C -0.157 175.835 176.117 -0.209 0.000 1.056 177 I CA -0.939 60.260 61.300 -0.168 0.000 1.033 177 I CB 1.932 39.820 38.000 -0.187 0.000 1.233 177 I HN 0.276 nan 8.210 nan 0.000 0.462 178 T N 2.912 117.382 114.554 -0.140 0.000 2.902 178 T HA 0.128 4.478 4.350 0.001 0.000 0.301 178 T C 0.410 174.993 174.700 -0.195 0.000 1.012 178 T CA -0.054 61.978 62.100 -0.114 0.000 1.151 178 T CB -0.005 68.814 68.868 -0.082 0.000 0.946 178 T HN 0.755 nan 8.240 nan 0.000 0.542 179 S N 2.524 118.122 115.700 -0.169 0.000 2.565 179 S HA 0.599 5.069 4.470 0.001 0.000 0.274 179 S C 0.061 174.570 174.600 -0.152 0.000 1.309 179 S CA -0.929 57.161 58.200 -0.184 0.000 1.043 179 S CB 0.850 63.981 63.200 -0.115 0.000 0.939 179 S HN 0.751 nan 8.310 nan 0.000 0.504 180 V N -0.394 119.446 119.914 -0.123 0.000 3.040 180 V HA 0.955 5.075 4.120 0.001 0.000 0.312 180 V C 0.841 176.910 176.094 -0.042 0.000 1.115 180 V CA -0.044 62.190 62.300 -0.109 0.000 0.998 180 V CB 0.521 32.275 31.823 -0.115 0.000 1.042 180 V HN 1.795 nan 8.190 nan 0.000 0.433 181 G N 2.265 111.055 108.800 -0.018 0.000 2.611 181 G HA2 -0.108 3.853 3.960 0.001 0.000 0.301 181 G HA3 -0.108 3.853 3.960 0.001 0.000 0.301 181 G C 1.178 176.153 174.900 0.125 0.000 1.233 181 G CA 1.539 46.718 45.100 0.132 0.000 0.993 181 G HN 2.313 nan 8.290 nan 0.000 0.553 182 A N -0.501 122.451 122.820 0.219 0.000 1.940 182 A HA -0.116 4.204 4.320 0.001 0.000 0.219 182 A C 2.233 179.929 177.584 0.187 0.000 1.176 182 A CA 2.553 54.714 52.037 0.206 0.000 0.631 182 A CB -0.554 18.660 19.000 0.356 0.000 0.814 182 A HN 0.687 nan 8.150 nan 0.000 0.446 183 N N -0.458 118.359 118.700 0.195 0.000 2.142 183 N HA -0.158 4.582 4.740 0.001 0.000 0.186 183 N C 1.844 177.420 175.510 0.110 0.000 1.023 183 N CA 1.563 54.752 53.050 0.231 0.000 0.852 183 N CB -0.438 38.224 38.487 0.292 0.000 0.998 183 N HN 0.532 nan 8.380 nan 0.000 0.424 184 R N 1.426 121.938 120.500 0.020 0.000 2.083 184 R HA -0.028 4.312 4.340 0.001 0.000 0.237 184 R C 1.934 178.205 176.300 -0.049 0.000 1.137 184 R CA 1.103 57.169 56.100 -0.057 0.000 0.951 184 R CB -0.795 29.410 30.300 -0.158 0.000 0.851 184 R HN 0.001 nan 8.270 nan 0.000 0.434 185 V N 1.127 121.021 119.914 -0.033 0.000 2.295 185 V HA -0.239 3.881 4.120 0.001 0.000 0.246 185 V C 1.816 177.910 176.094 0.001 0.000 1.049 185 V CA 2.297 64.578 62.300 -0.032 0.000 1.024 185 V CB -0.601 31.199 31.823 -0.040 0.000 0.648 185 V HN 0.357 nan 8.190 nan 0.000 0.447 186 D N -0.141 120.280 120.400 0.035 0.000 2.144 186 D HA -0.088 4.552 4.640 0.001 0.000 0.200 186 D C 2.126 178.418 176.300 -0.014 0.000 0.978 186 D CA 1.094 55.106 54.000 0.020 0.000 0.833 186 D CB -0.123 40.702 40.800 0.042 0.000 0.961 186 D HN 0.346 nan 8.370 nan 0.000 0.470 187 L N -0.035 121.195 121.223 0.013 0.000 2.056 187 L HA -0.155 4.186 4.340 0.001 0.000 0.207 187 L C 2.656 179.538 176.870 0.020 0.000 1.078 187 L CA 0.731 55.585 54.840 0.023 0.000 0.749 187 L CB -0.286 41.814 42.059 0.068 0.000 0.901 187 L HN 0.108 nan 8.230 nan 0.000 0.433 188 C N -0.777 118.530 119.300 0.011 0.000 2.425 188 C HA -0.184 4.276 4.460 0.001 0.000 0.277 188 C C 2.859 177.838 174.990 -0.018 0.000 1.280 188 C CA 0.828 59.851 59.018 0.008 0.000 1.744 188 C CB -0.782 26.949 27.740 -0.014 0.000 1.989 188 C HN 0.569 nan 8.230 nan 0.000 0.491 189 Q N 0.976 120.761 119.800 -0.025 0.000 2.020 189 Q HA -0.135 4.205 4.340 0.001 0.000 0.202 189 Q C 2.321 178.270 176.000 -0.086 0.000 0.982 189 Q CA 2.173 57.944 55.803 -0.054 0.000 0.838 189 Q CB -0.522 28.215 28.738 -0.001 0.000 0.899 189 Q HN 0.648 nan 8.270 nan 0.000 0.423 190 G N 1.294 110.061 108.800 -0.055 0.000 2.440 190 G HA2 -0.217 3.743 3.960 0.001 0.000 0.218 190 G HA3 -0.217 3.743 3.960 0.001 0.000 0.218 190 G C 1.405 176.274 174.900 -0.051 0.000 1.154 190 G CA 0.852 45.917 45.100 -0.058 0.000 0.767 190 G HN 0.344 nan 8.290 nan 0.000 0.552 191 I N 0.923 121.478 120.570 -0.025 0.000 2.315 191 I HA -0.024 4.146 4.170 0.001 0.000 0.248 191 I C 2.769 178.851 176.117 -0.058 0.000 1.117 191 I CA 0.550 61.843 61.300 -0.011 0.000 1.404 191 I CB -0.936 37.086 38.000 0.037 0.000 1.071 191 I HN 0.184 nan 8.210 nan 0.000 0.419 192 I N 0.469 120.982 120.570 -0.095 0.000 2.179 192 I HA -0.293 3.877 4.170 0.001 0.000 0.242 192 I C 2.398 178.377 176.117 -0.230 0.000 1.088 192 I CA 1.198 62.403 61.300 -0.159 0.000 1.357 192 I CB -0.203 37.694 38.000 -0.172 0.000 1.051 192 I HN 0.082 nan 8.210 nan 0.000 0.409 193 I N 0.409 120.803 120.570 -0.294 0.000 2.315 193 I HA -0.211 3.960 4.170 0.001 0.000 0.248 193 I C 2.577 178.596 176.117 -0.163 0.000 1.117 193 I CA 1.237 62.320 61.300 -0.362 0.000 1.404 193 I CB -1.462 36.261 38.000 -0.462 0.000 1.071 193 I HN 0.343 nan 8.210 nan 0.000 0.419 194 R N 1.292 121.736 120.500 -0.093 0.000 2.120 194 R HA -0.115 4.226 4.340 0.001 0.000 0.234 194 R C 1.953 178.221 176.300 -0.054 0.000 1.123 194 R CA 1.609 57.689 56.100 -0.033 0.000 0.975 194 R CB -0.233 30.069 30.300 0.004 0.000 0.866 194 R HN 0.252 nan 8.270 nan 0.000 0.446 195 S N 0.962 116.611 115.700 -0.085 0.000 2.428 195 S HA 0.053 4.523 4.470 0.001 0.000 0.230 195 S C 1.927 176.442 174.600 -0.141 0.000 1.014 195 S CA 0.561 58.696 58.200 -0.108 0.000 0.957 195 S CB 0.015 63.157 63.200 -0.097 0.000 0.784 195 S HN 0.284 nan 8.310 nan 0.000 0.499 196 L N 0.978 122.149 121.223 -0.087 0.000 2.072 196 L HA -0.045 4.295 4.340 0.001 0.000 0.205 196 L C 2.814 179.633 176.870 -0.086 0.000 1.079 196 L CA 1.171 56.005 54.840 -0.011 0.000 0.752 196 L CB -0.768 41.283 42.059 -0.012 0.000 0.906 196 L HN 0.310 nan 8.230 nan 0.000 0.436 197 A N 0.401 123.204 122.820 -0.029 0.000 1.902 197 A HA -0.102 4.218 4.320 0.001 0.000 0.217 197 A C 2.234 179.847 177.584 0.048 0.000 1.181 197 A CA 1.800 53.891 52.037 0.091 0.000 0.623 197 A CB -1.020 18.058 19.000 0.131 0.000 0.818 197 A HN 0.440 nan 8.150 nan 0.000 0.443 198 G N -1.429 107.329 108.800 -0.070 0.000 3.042 198 G HA2 0.316 4.276 3.960 0.001 0.000 0.212 198 G HA3 0.316 4.276 3.960 0.001 0.000 0.212 198 G C 0.083 174.821 174.900 -0.270 0.000 1.166 198 G CA 0.382 45.415 45.100 -0.113 0.000 0.767 198 G HN 0.584 nan 8.290 nan 0.000 0.546 199 E N 0.688 120.554 120.200 -0.557 0.000 2.252 199 E HA -0.165 4.185 4.350 0.001 0.000 0.199 199 E C -1.064 175.112 176.600 -0.705 0.000 1.352 199 E CA 0.527 56.186 56.400 -1.236 0.000 0.682 199 E CB -0.860 28.304 29.700 -0.893 0.000 1.142 199 E HN 0.372 nan 8.360 nan 0.000 0.367 200 D N 0.645 120.785 120.400 -0.434 0.000 2.438 200 D HA 0.149 4.790 4.640 0.001 0.000 0.257 200 D C -1.443 174.898 176.300 0.068 0.000 1.148 200 D CA -2.232 51.703 54.000 -0.107 0.000 0.902 200 D CB 1.072 41.822 40.800 -0.082 0.000 1.062 200 D HN -0.015 nan 8.370 nan 0.000 0.518 201 P HA -0.093 nan 4.420 nan 0.000 0.218 201 P C 1.316 178.765 177.300 0.249 0.000 1.149 201 P CA 0.796 64.136 63.100 0.401 0.000 0.817 201 P CB 0.437 32.461 31.700 0.540 0.000 0.785 202 T N 0.674 115.319 114.554 0.151 0.000 2.674 202 T HA -0.106 4.244 4.350 0.001 0.000 0.265 202 T C 1.831 176.581 174.700 0.083 0.000 1.039 202 T CA 1.459 63.619 62.100 0.100 0.000 1.150 202 T CB -0.417 68.477 68.868 0.042 0.000 0.864 202 T HN 0.259 nan 8.240 nan 0.000 0.427 203 K N 0.689 121.119 120.400 0.049 0.000 2.057 203 K HA 0.055 4.375 4.320 0.001 0.000 0.207 203 K C 2.305 178.947 176.600 0.071 0.000 1.049 203 K CA 0.825 57.143 56.287 0.051 0.000 0.931 203 K CB -0.387 32.122 32.500 0.015 0.000 0.714 203 K HN 0.224 nan 8.250 nan 0.000 0.440 204 L N 1.507 122.737 121.223 0.013 0.000 1.994 204 L HA -0.243 4.098 4.340 0.001 0.000 0.208 204 L C 1.933 178.828 176.870 0.043 0.000 1.071 204 L CA 1.374 56.167 54.840 -0.079 0.000 0.745 204 L CB -0.288 41.542 42.059 -0.382 0.000 0.892 204 L HN 0.249 nan 8.230 nan 0.000 0.431 205 N N -0.873 117.925 118.700 0.164 0.000 2.104 205 N HA -0.280 4.460 4.740 0.001 0.000 0.190 205 N C 1.787 177.435 175.510 0.230 0.000 1.024 205 N CA 1.730 54.927 53.050 0.245 0.000 0.853 205 N CB -0.537 38.107 38.487 0.261 0.000 1.008 205 N HN 0.506 nan 8.380 nan 0.000 0.424 206 H N 0.671 119.808 119.070 0.111 0.000 2.357 206 H HA 0.106 4.663 4.556 0.001 0.000 0.301 206 H C 1.854 177.364 175.328 0.304 0.000 1.082 206 H CA 1.890 58.011 56.048 0.123 0.000 1.342 206 H CB -0.222 29.506 29.762 -0.057 0.000 1.389 206 H HN 0.207 nan 8.280 nan 0.000 0.511 207 A N 0.024 122.952 122.820 0.180 0.000 1.902 207 A HA -0.116 4.204 4.320 0.001 0.000 0.217 207 A C 2.668 180.302 177.584 0.084 0.000 1.181 207 A CA 1.663 53.775 52.037 0.126 0.000 0.623 207 A CB -0.949 18.101 19.000 0.082 0.000 0.818 207 A HN 0.336 nan 8.150 nan 0.000 0.443 208 V N -0.095 119.879 119.914 0.100 0.000 2.343 208 V HA -0.269 3.852 4.120 0.001 0.000 0.247 208 V C 3.035 179.176 176.094 0.078 0.000 1.051 208 V CA 1.965 64.327 62.300 0.103 0.000 1.036 208 V CB -1.240 30.669 31.823 0.143 0.000 0.654 208 V HN 0.614 nan 8.190 nan 0.000 0.451 209 A N 0.516 123.408 122.820 0.120 0.000 1.972 209 A HA -0.073 4.247 4.320 0.001 0.000 0.219 209 A C 2.373 179.870 177.584 -0.145 0.000 1.169 209 A CA 1.732 53.831 52.037 0.103 0.000 0.635 209 A CB -1.066 18.115 19.000 0.301 0.000 0.810 209 A HN 0.550 nan 8.150 nan 0.000 0.446 210 G N -0.176 108.500 108.800 -0.208 0.000 2.470 210 G HA2 -0.110 3.851 3.960 0.001 0.000 0.220 210 G HA3 -0.110 3.851 3.960 0.001 0.000 0.220 210 G C 1.421 175.933 174.900 -0.646 0.000 1.121 210 G CA 0.874 45.439 45.100 -0.893 0.000 0.766 210 G HN 0.469 nan 8.290 nan 0.000 0.553 211 L N 0.748 121.746 121.223 -0.374 0.000 2.191 211 L HA -0.081 4.259 4.340 0.001 0.000 0.212 211 L C 3.027 179.330 176.870 -0.945 0.000 1.103 211 L CA 0.910 55.510 54.840 -0.400 0.000 0.769 211 L CB -0.374 41.677 42.059 -0.013 0.000 0.908 211 L HN 0.147 nan 8.230 nan 0.000 0.438 212 S N -0.528 114.651 115.700 -0.867 0.000 2.399 212 S HA -0.241 4.229 4.470 0.001 0.000 0.231 212 S C 1.920 175.776 174.600 -1.240 0.000 1.022 212 S CA 1.141 58.635 58.200 -1.177 0.000 0.983 212 S CB -0.168 62.758 63.200 -0.457 0.000 0.803 212 S HN 0.356 nan 8.310 nan 0.000 0.480 213 Q N 1.253 120.538 119.800 -0.858 0.000 2.226 213 Q HA -0.071 4.269 4.340 0.001 0.000 0.204 213 Q C 2.034 177.684 176.000 -0.584 0.000 0.975 213 Q CA 1.310 56.733 55.803 -0.634 0.000 0.866 213 Q CB -0.464 27.957 28.738 -0.529 0.000 0.915 213 Q HN 0.566 nan 8.270 nan 0.000 0.440 214 V N -1.892 117.620 119.914 -0.670 0.000 3.041 214 V HA -0.034 4.086 4.120 0.001 0.000 0.260 214 V C 1.050 177.048 176.094 -0.160 0.000 1.105 214 V CA 1.231 63.329 62.300 -0.335 0.000 1.125 214 V CB -0.956 30.729 31.823 -0.231 0.000 0.730 214 V HN 0.560 nan 8.190 nan 0.000 0.479 215 W N -0.039 121.197 121.300 -0.106 0.000 2.966 215 W HA 0.586 5.246 4.660 0.001 0.000 0.406 215 W C 0.230 176.642 176.519 -0.177 0.000 1.027 215 W CA -1.203 56.085 57.345 -0.095 0.000 1.930 215 W CB -0.624 28.803 29.460 -0.054 0.000 1.144 215 W HN 0.018 nan 8.180 nan 0.000 0.626 216 Q N 1.399 121.096 119.800 -0.172 0.000 2.314 216 Q HA 0.114 4.455 4.340 0.001 0.000 0.258 216 Q C -0.530 175.420 176.000 -0.084 0.000 0.954 216 Q CA -0.629 55.105 55.803 -0.114 0.000 0.890 216 Q CB 0.833 29.486 28.738 -0.141 0.000 1.210 216 Q HN 0.376 nan 8.270 nan 0.000 0.410 217 Y N 0.646 120.955 120.300 0.016 0.000 2.597 217 Y HA 0.128 4.678 4.550 0.001 0.000 0.336 217 Y C 0.982 176.792 175.900 -0.150 0.000 1.216 217 Y CA -0.455 57.620 58.100 -0.040 0.000 1.463 217 Y CB 0.616 39.076 38.460 0.001 0.000 1.303 217 Y HN 0.345 nan 8.280 nan 0.000 0.576 218 V N -0.631 119.203 119.914 -0.133 0.000 2.960 218 V HA 0.534 4.654 4.120 0.001 0.000 0.315 218 V C 0.218 175.992 176.094 -0.533 0.000 1.087 218 V CA -0.289 61.801 62.300 -0.349 0.000 0.982 218 V CB 1.712 33.254 31.823 -0.468 0.000 1.039 218 V HN 0.842 nan 8.190 nan 0.000 0.437 219 T N -1.709 112.650 114.554 -0.324 0.000 3.044 219 T HA 0.456 4.806 4.350 0.001 0.000 0.260 219 T C 0.536 175.280 174.700 0.073 0.000 1.019 219 T CA 0.489 62.516 62.100 -0.122 0.000 0.921 219 T CB -0.447 68.423 68.868 0.003 0.000 1.053 219 T HN 1.640 nan 8.240 nan 0.000 0.533 220 S N -0.973 114.698 115.700 -0.049 0.000 2.643 220 S HA 0.735 5.205 4.470 0.001 0.000 0.270 220 S C 0.359 174.980 174.600 0.035 0.000 1.166 220 S CA -0.230 58.050 58.200 0.134 0.000 0.815 220 S CB 1.153 64.403 63.200 0.084 0.000 1.139 220 S HN 1.475 nan 8.310 nan 0.000 0.472 221 G N 0.959 109.815 108.800 0.094 0.000 2.562 221 G HA2 -0.044 3.916 3.960 0.001 0.000 0.250 221 G HA3 -0.044 3.916 3.960 0.001 0.000 0.250 221 G C -1.377 173.539 174.900 0.027 0.000 1.269 221 G CA 0.300 45.417 45.100 0.028 0.000 0.919 221 G HN 0.999 nan 8.290 nan 0.000 0.574 222 D N 1.466 121.827 120.400 -0.065 0.000 2.177 222 D HA 0.665 5.305 4.640 0.001 0.000 0.247 222 D C 0.832 177.004 176.300 -0.213 0.000 1.063 222 D CA 1.505 55.415 54.000 -0.150 0.000 0.867 222 D CB 1.019 41.725 40.800 -0.156 0.000 1.168 222 D HN 1.676 nan 8.370 nan 0.000 0.445 223 G N 0.445 109.042 108.800 -0.339 0.000 2.325 223 G HA2 0.020 3.980 3.960 0.001 0.000 0.285 223 G HA3 0.020 3.980 3.960 0.001 0.000 0.285 223 G C -1.198 173.690 174.900 -0.020 0.000 1.303 223 G CA -1.001 43.986 45.100 -0.189 0.000 0.970 223 G HN 0.411 nan 8.290 nan 0.000 0.490 224 I N 0.844 121.542 120.570 0.215 0.000 2.371 224 I HA 0.459 4.630 4.170 0.001 0.000 0.290 224 I C -0.177 176.123 176.117 0.305 0.000 1.028 224 I CA -0.310 61.219 61.300 0.382 0.000 1.345 224 I CB 0.661 38.875 38.000 0.355 0.000 1.407 224 I HN 0.258 nan 8.210 nan 0.000 0.501 225 F N 4.510 124.625 119.950 0.275 0.000 2.408 225 F HA 0.425 4.953 4.527 0.001 0.000 0.325 225 F C 1.625 177.520 175.800 0.158 0.000 1.082 225 F CA -0.574 57.548 58.000 0.204 0.000 1.032 225 F CB 0.790 39.853 39.000 0.106 0.000 1.259 225 F HN 0.336 nan 8.300 nan 0.000 0.503 226 R N 0.248 120.744 120.500 -0.006 0.000 2.193 226 R HA -0.127 4.213 4.340 0.001 0.000 0.229 226 R C 1.023 177.297 176.300 -0.043 0.000 1.110 226 R CA 1.397 57.269 56.100 -0.379 0.000 0.988 226 R CB -0.356 29.657 30.300 -0.479 0.000 0.871 226 R HN 0.649 nan 8.270 nan 0.000 0.458 227 D N -0.974 119.493 120.400 0.112 0.000 2.349 227 D HA 0.013 4.653 4.640 0.001 0.000 0.224 227 D C 1.134 177.586 176.300 0.253 0.000 1.029 227 D CA 0.850 54.919 54.000 0.116 0.000 0.879 227 D CB 0.211 41.055 40.800 0.074 0.000 0.906 227 D HN 0.247 nan 8.370 nan 0.000 0.528 228 G N -0.529 108.473 108.800 0.336 0.000 2.195 228 G HA2 -0.281 3.679 3.960 0.001 0.000 0.246 228 G HA3 -0.281 3.679 3.960 0.001 0.000 0.246 228 G C 0.441 175.536 174.900 0.326 0.000 0.984 228 G CA 0.196 45.534 45.100 0.396 0.000 0.633 228 G HN 0.441 nan 8.290 nan 0.000 0.525 229 S N -0.146 115.760 115.700 0.343 0.000 2.566 229 S HA 0.510 4.981 4.470 0.001 0.000 0.280 229 S C -0.403 174.339 174.600 0.237 0.000 1.343 229 S CA 0.475 58.732 58.200 0.094 0.000 1.036 229 S CB 1.041 64.186 63.200 -0.091 0.000 0.866 229 S HN 0.933 nan 8.310 nan 0.000 0.526 230 F N 2.280 122.214 119.950 -0.027 0.000 2.536 230 F HA 0.623 5.150 4.527 0.000 0.000 0.322 230 F C -1.111 174.752 175.800 0.105 0.000 1.144 230 F CA -0.787 57.264 58.000 0.085 0.000 0.924 230 F CB 0.697 39.677 39.000 -0.033 0.000 1.181 230 F HN 0.396 nan 8.300 nan 0.000 0.438 231 I N 5.254 125.535 120.570 -0.482 0.000 2.474 231 I HA 0.417 4.587 4.170 0.001 0.000 0.294 231 I C -1.013 174.773 176.117 -0.552 0.000 1.005 231 I CA -0.818 60.307 61.300 -0.292 0.000 1.113 231 I CB 2.174 40.154 38.000 -0.034 0.000 1.289 231 I HN 0.578 nan 8.210 nan 0.000 0.436 232 Q N 3.693 123.376 119.800 -0.195 0.000 2.394 232 Q HA 0.421 4.761 4.340 0.001 0.000 0.273 232 Q C -0.571 175.390 176.000 -0.065 0.000 1.089 232 Q CA -0.342 55.292 55.803 -0.283 0.000 0.812 232 Q CB 1.193 29.599 28.738 -0.553 0.000 1.353 232 Q HN 0.635 nan 8.270 nan 0.000 0.438 233 H N 1.868 120.884 119.070 -0.091 0.000 2.936 233 H HA -0.240 4.316 4.556 0.001 0.000 0.276 233 H C 0.299 175.661 175.328 0.056 0.000 1.216 233 H CA 0.169 56.226 56.048 0.014 0.000 1.132 233 H CB -1.484 28.365 29.762 0.144 0.000 1.303 233 H HN 0.784 nan 8.280 nan 0.000 0.370 234 S N -2.474 113.296 115.700 0.118 0.000 1.799 234 S HA -0.313 4.157 4.470 0.001 0.000 0.230 234 S C 1.511 176.158 174.600 0.077 0.000 0.932 234 S CA 2.469 60.718 58.200 0.082 0.000 1.516 234 S CB -1.090 62.157 63.200 0.077 0.000 1.962 234 S HN 0.911 nan 8.310 nan 0.000 0.542 235 T N -2.035 112.576 114.554 0.095 0.000 3.209 235 T HA 0.470 4.821 4.350 0.001 0.000 0.295 235 T C -0.126 174.590 174.700 0.027 0.000 0.977 235 T CA 0.310 62.440 62.100 0.050 0.000 0.922 235 T CB 0.955 69.855 68.868 0.053 0.000 1.152 235 T HN 0.289 nan 8.240 nan 0.000 0.527 236 T N 4.392 118.969 114.554 0.040 0.000 2.809 236 T HA 0.522 4.872 4.350 0.001 0.000 0.284 236 T C -3.022 171.602 174.700 -0.127 0.000 0.992 236 T CA -1.445 60.610 62.100 -0.075 0.000 0.957 236 T CB 1.849 70.638 68.868 -0.131 0.000 0.942 236 T HN -0.080 nan 8.240 nan 0.000 0.439 237 P HA 0.129 nan 4.420 nan 0.000 0.263 237 P C -0.741 176.492 177.300 -0.112 0.000 1.195 237 P CA 0.285 63.310 63.100 -0.126 0.000 0.762 237 P CB 0.168 31.786 31.700 -0.138 0.000 0.799 238 Y N 0.710 121.065 120.300 0.092 0.000 2.830 238 Y HA 0.022 4.573 4.550 0.001 0.000 0.255 238 Y C 1.596 177.695 175.900 0.330 0.000 1.130 238 Y CA -0.130 58.104 58.100 0.224 0.000 1.217 238 Y CB 0.475 39.103 38.460 0.280 0.000 1.296 238 Y HN 0.217 nan 8.280 nan 0.000 0.571 239 T N -0.860 113.895 114.554 0.335 0.000 2.737 239 T HA -0.224 4.127 4.350 0.001 0.000 0.269 239 T C 2.043 176.805 174.700 0.103 0.000 1.040 239 T CA 1.815 63.963 62.100 0.080 0.000 1.142 239 T CB -0.345 68.400 68.868 -0.205 0.000 0.861 239 T HN 0.633 nan 8.240 nan 0.000 0.456 240 G N 0.387 109.244 108.800 0.095 0.000 2.572 240 G HA2 0.038 3.998 3.960 0.001 0.000 0.216 240 G HA3 0.038 3.998 3.960 0.001 0.000 0.216 240 G C 1.590 176.519 174.900 0.048 0.000 1.133 240 G CA 1.065 46.187 45.100 0.036 0.000 0.791 240 G HN 0.642 nan 8.290 nan 0.000 0.538 241 S N -1.279 114.493 115.700 0.119 0.000 3.597 241 S HA 0.149 4.620 4.470 0.001 0.000 0.206 241 S C 1.811 176.320 174.600 -0.151 0.000 0.948 241 S CA 0.041 58.210 58.200 -0.052 0.000 0.863 241 S CB -0.474 62.676 63.200 -0.083 0.000 1.015 241 S HN 0.113 nan 8.310 nan 0.000 0.616 242 Y N 2.906 123.135 120.300 -0.118 0.000 2.207 242 Y HA 0.079 4.629 4.550 0.001 0.000 0.287 242 Y C 2.900 178.773 175.900 -0.046 0.000 1.156 242 Y CA 1.289 59.329 58.100 -0.099 0.000 1.182 242 Y CB -0.828 37.520 38.460 -0.188 0.000 0.979 242 Y HN 0.540 nan 8.280 nan 0.000 0.521 243 G N -0.653 108.169 108.800 0.036 0.000 2.422 243 G HA2 -0.213 3.747 3.960 0.001 0.000 0.218 243 G HA3 -0.213 3.747 3.960 0.001 0.000 0.218 243 G C 1.725 176.637 174.900 0.020 0.000 1.146 243 G CA 1.282 46.153 45.100 -0.381 0.000 0.769 243 G HN 0.292 nan 8.290 nan 0.000 0.547 244 V N 0.512 120.442 119.914 0.027 0.000 2.427 244 V HA -0.143 3.977 4.120 0.001 0.000 0.248 244 V C 3.003 179.026 176.094 -0.119 0.000 1.051 244 V CA 1.241 63.471 62.300 -0.117 0.000 1.048 244 V CB -0.167 31.585 31.823 -0.117 0.000 0.666 244 V HN 0.246 nan 8.190 nan 0.000 0.456 245 V N -0.038 119.834 119.914 -0.071 0.000 2.332 245 V HA -0.302 3.819 4.120 0.001 0.000 0.248 245 V C 2.315 178.392 176.094 -0.028 0.000 1.055 245 V CA 2.397 64.679 62.300 -0.031 0.000 1.038 245 V CB -0.525 31.309 31.823 0.018 0.000 0.651 245 V HN 0.549 nan 8.190 nan 0.000 0.450 246 L N -0.553 120.649 121.223 -0.034 0.000 2.017 246 L HA -0.176 4.164 4.340 0.001 0.000 0.208 246 L C 2.368 179.162 176.870 -0.128 0.000 1.073 246 L CA 1.847 56.645 54.840 -0.069 0.000 0.745 246 L CB -0.271 41.740 42.059 -0.080 0.000 0.894 246 L HN 0.353 nan 8.230 nan 0.000 0.432 247 L N -0.596 120.561 121.223 -0.110 0.000 2.017 247 L HA -0.194 4.146 4.340 0.001 0.000 0.208 247 L C 2.331 179.135 176.870 -0.109 0.000 1.073 247 L CA 2.506 57.283 54.840 -0.105 0.000 0.745 247 L CB -0.972 40.763 42.059 -0.541 0.000 0.894 247 L HN 0.260 nan 8.230 nan 0.000 0.432 248 T N -0.375 114.104 114.554 -0.125 0.000 2.674 248 T HA -0.121 4.229 4.350 0.001 0.000 0.265 248 T C 1.663 176.341 174.700 -0.037 0.000 1.039 248 T CA 1.472 63.527 62.100 -0.075 0.000 1.150 248 T CB -0.973 67.859 68.868 -0.061 0.000 0.864 248 T HN 0.610 nan 8.240 nan 0.000 0.427 249 G N 1.063 109.839 108.800 -0.039 0.000 2.408 249 G HA2 -0.093 3.867 3.960 0.001 0.000 0.217 249 G HA3 -0.093 3.867 3.960 0.001 0.000 0.217 249 G C 1.521 176.387 174.900 -0.058 0.000 1.150 249 G CA 0.382 45.480 45.100 -0.003 0.000 0.776 249 G HN 0.433 nan 8.290 nan 0.000 0.542 250 L N 1.537 122.624 121.223 -0.226 0.000 2.093 250 L HA -0.106 4.234 4.340 0.001 0.000 0.208 250 L C 3.352 179.976 176.870 -0.409 0.000 1.085 250 L CA 1.466 55.997 54.840 -0.515 0.000 0.755 250 L CB -0.548 40.839 42.059 -1.121 0.000 0.904 250 L HN 0.448 nan 8.230 nan 0.000 0.435 251 S N 0.112 115.729 115.700 -0.139 0.000 2.370 251 S HA -0.235 4.235 4.470 0.001 0.000 0.226 251 S C 1.937 176.612 174.600 0.125 0.000 1.033 251 S CA 1.175 59.395 58.200 0.033 0.000 1.011 251 S CB -0.293 62.937 63.200 0.050 0.000 0.852 251 S HN 0.390 nan 8.310 nan 0.000 0.457 252 K N 0.976 121.456 120.400 0.134 0.000 2.062 252 K HA 0.173 4.493 4.320 0.001 0.000 0.205 252 K C 2.222 179.053 176.600 0.385 0.000 1.051 252 K CA 1.291 57.734 56.287 0.259 0.000 0.941 252 K CB -0.418 32.262 32.500 0.300 0.000 0.719 252 K HN 0.354 nan 8.250 nan 0.000 0.440 253 L N -0.077 121.328 121.223 0.302 0.000 2.072 253 L HA -0.092 4.248 4.340 0.001 0.000 0.205 253 L C 2.285 179.407 176.870 0.421 0.000 1.079 253 L CA 1.229 56.250 54.840 0.302 0.000 0.752 253 L CB -0.445 41.748 42.059 0.224 0.000 0.906 253 L HN 0.151 nan 8.230 nan 0.000 0.436 254 F N -0.508 119.549 119.950 0.178 0.000 2.095 254 F HA -0.321 4.207 4.527 0.001 0.000 0.298 254 F C 3.023 178.930 175.800 0.179 0.000 1.104 254 F CA 1.212 59.324 58.000 0.187 0.000 1.232 254 F CB -0.308 38.838 39.000 0.243 0.000 0.987 254 F HN 0.111 nan 8.300 nan 0.000 0.475 255 S N 0.571 116.502 115.700 0.384 0.000 2.356 255 S HA -0.204 4.266 4.470 0.001 0.000 0.223 255 S C 1.967 176.715 174.600 0.247 0.000 1.032 255 S CA 1.141 59.502 58.200 0.268 0.000 1.005 255 S CB -0.561 62.773 63.200 0.224 0.000 0.867 255 S HN 0.288 nan 8.310 nan 0.000 0.449 256 L N 1.405 122.809 121.223 0.303 0.000 2.013 256 L HA 0.014 4.355 4.340 0.001 0.000 0.212 256 L C 1.958 178.952 176.870 0.208 0.000 1.073 256 L CA 1.973 56.992 54.840 0.298 0.000 0.753 256 L CB -0.521 41.753 42.059 0.358 0.000 0.890 256 L HN 0.434 nan 8.230 nan 0.000 0.432 257 L N -0.570 120.771 121.223 0.197 0.000 2.529 257 L HA 0.233 4.573 4.340 0.001 0.000 0.223 257 L C 1.302 178.249 176.870 0.129 0.000 1.113 257 L CA 0.066 55.005 54.840 0.164 0.000 0.861 257 L CB -0.909 41.250 42.059 0.167 0.000 1.012 257 L HN 0.363 nan 8.230 nan 0.000 0.461 258 G N -0.260 108.615 108.800 0.126 0.000 2.305 258 G HA2 0.307 4.267 3.960 0.001 0.000 0.243 258 G HA3 0.307 4.267 3.960 0.001 0.000 0.243 258 G C 1.122 176.058 174.900 0.061 0.000 1.288 258 G CA 0.397 45.547 45.100 0.084 0.000 0.901 258 G HN 0.412 nan 8.290 nan 0.000 0.516 259 G N 1.206 110.025 108.800 0.032 0.000 2.179 259 G HA2 -0.146 3.814 3.960 0.001 0.000 0.260 259 G HA3 -0.146 3.814 3.960 0.001 0.000 0.260 259 G C 0.692 175.595 174.900 0.006 0.000 0.977 259 G CA 1.336 46.446 45.100 0.016 0.000 0.641 259 G HN 1.824 nan 8.290 nan 0.000 0.533 260 T N -3.471 111.091 114.554 0.014 0.000 2.922 260 T HA 0.792 5.142 4.350 0.001 0.000 0.281 260 T C 1.634 176.278 174.700 -0.094 0.000 1.005 260 T CA 0.447 62.539 62.100 -0.013 0.000 0.982 260 T CB 1.616 70.524 68.868 0.066 0.000 1.158 260 T HN 1.357 nan 8.240 nan 0.000 0.566 261 A N -0.358 122.314 122.820 -0.246 0.000 2.125 261 A HA 0.171 4.491 4.320 0.001 0.000 0.219 261 A C 1.237 178.477 177.584 -0.573 0.000 1.156 261 A CA 0.831 52.582 52.037 -0.477 0.000 0.671 261 A CB -1.066 17.515 19.000 -0.698 0.000 0.794 261 A HN 0.757 nan 8.150 nan 0.000 0.459 262 F N -0.066 119.858 119.950 -0.042 0.000 2.668 262 F HA 0.216 4.743 4.527 0.001 0.000 0.301 262 F C 0.733 176.533 175.800 -0.001 0.000 1.106 262 F CA -0.476 57.515 58.000 -0.015 0.000 1.289 262 F CB 0.165 39.155 39.000 -0.017 0.000 1.006 262 F HN 0.259 nan 8.300 nan 0.000 0.535 263 E N 1.705 121.963 120.200 0.098 0.000 2.442 263 E HA 0.033 4.384 4.350 0.001 0.000 0.262 263 E C -0.227 176.387 176.600 0.024 0.000 1.004 263 E CA -0.216 56.216 56.400 0.054 0.000 0.928 263 E CB 0.972 30.678 29.700 0.011 0.000 0.937 263 E HN -0.039 nan 8.360 nan 0.000 0.446 264 V N 4.757 124.644 119.914 -0.045 0.000 2.446 264 V HA -0.038 4.082 4.120 0.001 0.000 0.276 264 V C 1.112 177.124 176.094 -0.136 0.000 1.030 264 V CA 0.918 63.148 62.300 -0.116 0.000 1.033 264 V CB 0.720 32.308 31.823 -0.392 0.000 0.993 264 V HN 0.762 nan 8.190 nan 0.000 0.477 265 S N 1.487 117.161 115.700 -0.043 0.000 2.603 265 S HA 0.097 4.567 4.470 0.001 0.000 0.232 265 S C 0.380 174.978 174.600 -0.002 0.000 1.016 265 S CA -0.448 57.734 58.200 -0.030 0.000 0.976 265 S CB 0.034 63.232 63.200 -0.003 0.000 0.921 265 S HN 0.715 nan 8.310 nan 0.000 0.516 266 D N 4.174 124.596 120.400 0.037 0.000 2.401 266 D HA 0.158 4.799 4.640 0.001 0.000 0.254 266 D C -1.211 175.110 176.300 0.035 0.000 1.192 266 D CA -1.660 52.399 54.000 0.099 0.000 0.885 266 D CB 1.462 42.429 40.800 0.279 0.000 1.147 266 D HN 0.102 nan 8.370 nan 0.000 0.478 267 P HA -0.098 nan 4.420 nan 0.000 0.229 267 P C 1.032 178.327 177.300 -0.008 0.000 1.160 267 P CA 0.843 63.948 63.100 0.007 0.000 0.777 267 P CB -0.149 31.569 31.700 0.030 0.000 0.814 268 T N -1.406 113.190 114.554 0.070 0.000 3.098 268 T HA -0.102 4.248 4.350 0.001 0.000 0.266 268 T C 1.772 176.367 174.700 -0.175 0.000 1.145 268 T CA 0.225 62.383 62.100 0.096 0.000 1.092 268 T CB -0.902 68.123 68.868 0.263 0.000 0.908 268 T HN 0.274 nan 8.240 nan 0.000 0.526 269 R N 1.902 122.072 120.500 -0.550 0.000 2.293 269 R HA -0.061 4.279 4.340 0.001 0.000 0.219 269 R C 2.268 177.970 176.300 -0.996 0.000 1.091 269 R CA 1.402 56.645 56.100 -1.428 0.000 1.004 269 R CB -0.973 28.496 30.300 -1.384 0.000 0.865 269 R HN 0.575 nan 8.270 nan 0.000 0.469 270 S N 1.604 117.031 115.700 -0.455 0.000 2.402 270 S HA -0.179 4.292 4.470 0.001 0.000 0.233 270 S C 1.981 176.524 174.600 -0.094 0.000 1.030 270 S CA 1.314 59.431 58.200 -0.139 0.000 1.003 270 S CB -0.537 62.688 63.200 0.041 0.000 0.813 270 S HN 0.420 nan 8.310 nan 0.000 0.477 271 I N 0.428 120.909 120.570 -0.148 0.000 2.226 271 I HA -0.112 4.058 4.170 0.001 0.000 0.245 271 I C 2.386 178.498 176.117 -0.009 0.000 1.100 271 I CA 1.676 62.921 61.300 -0.092 0.000 1.374 271 I CB -0.490 37.370 38.000 -0.234 0.000 1.057 271 I HN 0.292 nan 8.210 nan 0.000 0.413 272 F N 1.866 121.657 119.950 -0.265 0.000 2.102 272 F HA -0.230 4.297 4.527 0.001 0.000 0.298 272 F C 2.099 177.918 175.800 0.033 0.000 1.105 272 F CA 1.409 59.325 58.000 -0.141 0.000 1.239 272 F CB -0.598 38.201 39.000 -0.335 0.000 0.991 272 F HN -0.088 nan 8.300 nan 0.000 0.474 273 F N 1.127 120.989 119.950 -0.147 0.000 2.161 273 F HA -0.173 4.354 4.527 0.000 0.000 0.300 273 F C 2.358 178.215 175.800 0.095 0.000 1.089 273 F CA 1.343 59.319 58.000 -0.040 0.000 1.282 273 F CB -1.609 37.519 39.000 0.212 0.000 1.010 273 F HN 0.009 nan 8.300 nan 0.000 0.485 274 D N 0.069 120.629 120.400 0.268 0.000 2.263 274 D HA -0.095 4.545 4.640 0.001 0.000 0.208 274 D C 2.256 178.668 176.300 0.187 0.000 0.971 274 D CA 1.190 55.335 54.000 0.242 0.000 0.867 274 D CB -0.425 40.509 40.800 0.222 0.000 0.929 274 D HN 0.264 nan 8.370 nan 0.000 0.492 275 A N 0.275 123.170 122.820 0.125 0.000 2.119 275 A HA -0.042 4.278 4.320 0.001 0.000 0.217 275 A C 2.392 180.054 177.584 0.130 0.000 1.153 275 A CA 0.404 52.511 52.037 0.116 0.000 0.692 275 A CB -0.296 18.795 19.000 0.153 0.000 0.799 275 A HN 0.116 nan 8.150 nan 0.000 0.458 276 V N 0.112 120.024 119.914 -0.003 0.000 2.287 276 V HA -0.261 3.860 4.120 0.001 0.000 0.248 276 V C 2.372 178.472 176.094 0.012 0.000 1.053 276 V CA 2.373 64.579 62.300 -0.157 0.000 1.027 276 V CB -0.561 30.672 31.823 -0.983 0.000 0.646 276 V HN 0.635 nan 8.190 nan 0.000 0.447 277 E N -0.391 119.859 120.200 0.083 0.000 2.276 277 E HA 0.017 4.367 4.350 0.001 0.000 0.193 277 E C 2.243 178.936 176.600 0.155 0.000 0.983 277 E CA 0.760 57.250 56.400 0.150 0.000 0.861 277 E CB -0.084 29.729 29.700 0.187 0.000 0.817 277 E HN 0.629 nan 8.360 nan 0.000 0.485 278 G N 0.258 109.150 108.800 0.154 0.000 2.464 278 G HA2 -0.116 3.844 3.960 0.001 0.000 0.217 278 G HA3 -0.116 3.844 3.960 0.001 0.000 0.217 278 G C 1.556 176.575 174.900 0.199 0.000 1.138 278 G CA 0.520 45.725 45.100 0.174 0.000 0.793 278 G HN 0.095 nan 8.290 nan 0.000 0.539 279 S N -0.910 114.820 115.700 0.049 0.000 2.931 279 S HA 0.274 4.744 4.470 0.001 0.000 0.251 279 S C 1.659 176.053 174.600 -0.343 0.000 1.078 279 S CA -0.317 57.769 58.200 -0.191 0.000 0.835 279 S CB -0.085 62.825 63.200 -0.483 0.000 0.798 279 S HN 0.239 nan 8.310 nan 0.000 0.495 280 F N 2.319 122.236 119.950 -0.055 0.000 2.179 280 F HA 0.262 4.789 4.527 0.000 0.000 0.292 280 F C 2.648 178.381 175.800 -0.112 0.000 1.089 280 F CA 0.777 58.692 58.000 -0.142 0.000 1.295 280 F CB -0.509 38.373 39.000 -0.197 0.000 1.041 280 F HN 0.200 nan 8.300 nan 0.000 0.487 281 A N 0.565 123.510 122.820 0.210 0.000 1.908 281 A HA -0.128 4.192 4.320 0.001 0.000 0.218 281 A C -0.398 177.319 177.584 0.222 0.000 1.181 281 A CA 1.668 53.901 52.037 0.328 0.000 0.627 281 A CB -1.966 17.280 19.000 0.409 0.000 0.818 281 A HN 0.222 nan 8.150 nan 0.000 0.445 282 P HA -0.050 nan 4.420 nan 0.000 0.226 282 P C 1.067 178.392 177.300 0.043 0.000 1.153 282 P CA 1.415 64.605 63.100 0.149 0.000 0.777 282 P CB -0.010 31.866 31.700 0.294 0.000 0.794 283 V N -6.499 113.378 119.914 -0.062 0.000 3.542 283 V HA 0.251 4.372 4.120 0.001 0.000 0.296 283 V C 0.592 176.521 176.094 -0.276 0.000 1.364 283 V CA 0.130 62.317 62.300 -0.188 0.000 1.118 283 V CB -0.763 30.907 31.823 -0.256 0.000 0.972 283 V HN -0.081 nan 8.190 nan 0.000 0.430 284 M N 2.060 121.486 119.600 -0.289 0.000 2.144 284 M HA 0.547 5.027 4.480 0.001 0.000 0.356 284 M C -0.788 175.312 176.300 -0.332 0.000 1.217 284 M CA -0.039 54.945 55.300 -0.527 0.000 1.087 284 M CB 1.375 33.263 32.600 -1.187 0.000 1.609 284 M HN 0.218 nan 8.290 nan 0.000 0.467 285 I N 4.950 125.306 120.570 -0.356 0.000 2.493 285 I HA 0.217 4.388 4.170 0.001 0.000 0.279 285 I C -0.088 176.009 176.117 -0.034 0.000 1.045 285 I CA -0.508 60.678 61.300 -0.190 0.000 1.106 285 I CB 0.960 38.690 38.000 -0.449 0.000 1.216 285 I HN 0.667 nan 8.210 nan 0.000 0.459 286 N N 4.888 123.697 118.700 0.183 0.000 2.721 286 N HA -0.214 4.526 4.740 0.001 0.000 0.249 286 N C 0.960 176.643 175.510 0.287 0.000 1.072 286 N CA 1.410 54.631 53.050 0.285 0.000 0.710 286 N CB -0.858 37.793 38.487 0.274 0.000 0.993 286 N HN 1.172 nan 8.380 nan 0.000 0.547 287 G N -2.625 106.234 108.800 0.099 0.000 2.194 287 G HA2 -0.052 3.908 3.960 0.001 0.000 0.236 287 G HA3 -0.052 3.908 3.960 0.001 0.000 0.236 287 G C 0.077 174.871 174.900 -0.177 0.000 0.987 287 G CA 0.585 45.718 45.100 0.055 0.000 0.635 287 G HN 1.162 nan 8.290 nan 0.000 0.520 288 A N 1.116 123.677 122.820 -0.431 0.000 2.337 288 A HA 0.835 5.155 4.320 0.001 0.000 0.329 288 A C 0.413 177.714 177.584 -0.473 0.000 1.146 288 A CA -0.501 51.136 52.037 -0.666 0.000 0.800 288 A CB 0.715 19.070 19.000 -1.074 0.000 1.220 288 A HN 0.309 nan 8.150 nan 0.000 0.472 289 M N 2.100 121.480 119.600 -0.367 0.000 2.219 289 M HA 0.243 4.723 4.480 0.001 0.000 0.353 289 M C 0.886 177.016 176.300 -0.284 0.000 1.304 289 M CA -0.053 55.067 55.300 -0.301 0.000 1.115 289 M CB 0.412 32.895 32.600 -0.196 0.000 1.664 289 M HN 0.857 nan 8.290 nan 0.000 0.459 290 A N 3.271 125.884 122.820 -0.344 0.000 2.565 290 A HA 0.006 4.327 4.320 0.001 0.000 0.237 290 A C 0.899 178.328 177.584 -0.258 0.000 1.053 290 A CA -0.170 51.640 52.037 -0.379 0.000 0.755 290 A CB -0.039 18.707 19.000 -0.423 0.000 0.980 290 A HN 0.833 nan 8.150 nan 0.000 0.506 291 D N 2.334 122.586 120.400 -0.247 0.000 2.182 291 D HA -0.112 4.529 4.640 0.001 0.000 0.201 291 D C 2.086 178.245 176.300 -0.234 0.000 0.986 291 D CA 1.863 55.760 54.000 -0.171 0.000 0.847 291 D CB -0.214 40.587 40.800 0.001 0.000 0.942 291 D HN 0.696 nan 8.370 nan 0.000 0.467 292 A N 0.302 122.868 122.820 -0.423 0.000 2.172 292 A HA -0.056 4.264 4.320 0.001 0.000 0.216 292 A C 1.836 179.320 177.584 -0.167 0.000 1.154 292 A CA 1.212 53.118 52.037 -0.218 0.000 0.701 292 A CB -0.195 18.680 19.000 -0.209 0.000 0.789 292 A HN 0.234 nan 8.150 nan 0.000 0.465 293 V N -2.951 116.854 119.914 -0.181 0.000 3.085 293 V HA 0.332 4.452 4.120 0.001 0.000 0.345 293 V C 0.827 176.892 176.094 -0.050 0.000 1.397 293 V CA 0.226 62.443 62.300 -0.139 0.000 1.165 293 V CB -0.791 30.933 31.823 -0.165 0.000 1.153 293 V HN 0.622 nan 8.190 nan 0.000 0.495 294 R N -0.024 120.440 120.500 -0.059 0.000 2.596 294 R HA 0.578 4.918 4.340 0.001 0.000 0.369 294 R C 1.026 177.383 176.300 0.095 0.000 1.042 294 R CA 0.302 56.450 56.100 0.080 0.000 1.120 294 R CB 0.263 30.582 30.300 0.032 0.000 1.353 294 R HN 0.546 nan 8.270 nan 0.000 0.564 295 G N 3.444 112.130 108.800 -0.191 0.000 2.672 295 G HA2 -0.493 3.467 3.960 0.001 0.000 0.324 295 G HA3 -0.493 3.467 3.960 0.001 0.000 0.324 295 G C 0.789 175.689 174.900 0.001 0.000 1.286 295 G CA 1.092 46.036 45.100 -0.261 0.000 1.004 295 G HN 0.571 nan 8.290 nan 0.000 0.548 296 R N 0.561 121.156 120.500 0.158 0.000 2.276 296 R HA 0.180 4.520 4.340 0.001 0.000 0.203 296 R C 2.495 178.819 176.300 0.041 0.000 1.017 296 R CA 1.979 58.127 56.100 0.079 0.000 1.010 296 R CB -0.395 29.962 30.300 0.095 0.000 0.900 296 R HN 0.832 nan 8.270 nan 0.000 0.469 297 S N 2.046 117.784 115.700 0.063 0.000 2.507 297 S HA -0.119 4.351 4.470 0.001 0.000 0.235 297 S C 2.093 176.690 174.600 -0.005 0.000 0.988 297 S CA 0.796 59.003 58.200 0.012 0.000 0.944 297 S CB -0.704 62.495 63.200 -0.003 0.000 0.762 297 S HN 0.613 nan 8.310 nan 0.000 0.526 298 I N 1.506 122.022 120.570 -0.090 0.000 2.315 298 I HA -0.137 4.033 4.170 0.001 0.000 0.251 298 I C 2.216 178.341 176.117 0.015 0.000 1.125 298 I CA 1.564 62.727 61.300 -0.229 0.000 1.392 298 I CB -1.053 36.416 38.000 -0.885 0.000 1.065 298 I HN 0.436 nan 8.210 nan 0.000 0.424 299 S N 0.714 116.460 115.700 0.077 0.000 2.607 299 S HA 0.108 4.578 4.470 0.001 0.000 0.224 299 S C 0.863 175.677 174.600 0.357 0.000 0.969 299 S CA -0.335 58.053 58.200 0.313 0.000 0.927 299 S CB -0.452 62.841 63.200 0.155 0.000 0.772 299 S HN 0.518 nan 8.310 nan 0.000 0.533 300 R N 1.871 122.443 120.500 0.120 0.000 2.215 300 R HA 0.234 4.574 4.340 0.001 0.000 0.336 300 R C 1.279 177.301 176.300 -0.464 0.000 0.996 300 R CA -0.099 55.938 56.100 -0.105 0.000 0.847 300 R CB 0.854 31.103 30.300 -0.085 0.000 1.127 300 R HN 0.602 nan 8.270 nan 0.000 0.465 301 E N 2.523 122.184 120.200 -0.897 0.000 2.160 301 E HA -0.183 4.167 4.350 0.001 0.000 0.195 301 E C 0.577 176.818 176.600 -0.599 0.000 0.991 301 E CA 1.467 57.013 56.400 -1.424 0.000 0.810 301 E CB 0.133 28.876 29.700 -1.596 0.000 0.742 301 E HN 0.511 nan 8.360 nan 0.000 0.466 302 A N 1.040 123.647 122.820 -0.355 0.000 2.676 302 A HA 0.186 4.506 4.320 0.001 0.000 0.297 302 A C 0.065 177.572 177.584 -0.127 0.000 1.132 302 A CA -0.535 51.387 52.037 -0.193 0.000 0.972 302 A CB -0.150 18.756 19.000 -0.157 0.000 1.197 302 A HN 0.259 nan 8.150 nan 0.000 0.524 303 N N 1.026 119.653 118.700 -0.122 0.000 2.726 303 N HA 0.104 4.844 4.740 0.001 0.000 0.253 303 N C -0.262 175.230 175.510 -0.030 0.000 1.530 303 N CA 0.337 53.343 53.050 -0.073 0.000 0.772 303 N CB 0.802 39.235 38.487 -0.089 0.000 1.220 303 N HN 0.359 nan 8.380 nan 0.000 0.508 304 T N -2.232 112.333 114.554 0.019 0.000 2.884 304 T HA 0.400 4.751 4.350 0.001 0.000 0.277 304 T C 1.659 176.409 174.700 0.083 0.000 0.976 304 T CA -0.069 62.094 62.100 0.106 0.000 0.956 304 T CB 1.225 70.217 68.868 0.207 0.000 1.113 304 T HN 0.179 nan 8.240 nan 0.000 0.554 305 G N -0.865 107.993 108.800 0.096 0.000 2.450 305 G HA2 -0.140 3.821 3.960 0.001 0.000 0.220 305 G HA3 -0.140 3.821 3.960 0.001 0.000 0.220 305 G C 1.067 175.861 174.900 -0.177 0.000 1.130 305 G CA 0.554 45.613 45.100 -0.068 0.000 0.760 305 G HN 0.798 nan 8.290 nan 0.000 0.557 306 Y N 0.902 121.260 120.300 0.096 0.000 2.286 306 Y HA 0.007 4.558 4.550 0.000 0.000 0.293 306 Y C 2.641 178.545 175.900 0.007 0.000 1.124 306 Y CA 0.956 59.095 58.100 0.065 0.000 1.178 306 Y CB 0.129 38.666 38.460 0.128 0.000 1.010 306 Y HN 0.113 nan 8.280 nan 0.000 0.536 307 D N 0.249 120.726 120.400 0.128 0.000 2.117 307 D HA -0.164 4.476 4.640 0.001 0.000 0.197 307 D C 2.118 178.408 176.300 -0.016 0.000 0.987 307 D CA 1.330 55.353 54.000 0.039 0.000 0.829 307 D CB -0.304 40.502 40.800 0.010 0.000 0.961 307 D HN 0.325 nan 8.370 nan 0.000 0.460 308 L N 0.475 121.672 121.223 -0.042 0.000 2.072 308 L HA 0.004 4.344 4.340 0.001 0.000 0.205 308 L C 2.620 179.415 176.870 -0.125 0.000 1.079 308 L CA 1.155 55.944 54.840 -0.086 0.000 0.752 308 L CB -0.542 41.465 42.059 -0.086 0.000 0.906 308 L HN 0.054 nan 8.230 nan 0.000 0.436 309 G N -0.413 108.299 108.800 -0.148 0.000 2.422 309 G HA2 -0.242 3.718 3.960 0.001 0.000 0.218 309 G HA3 -0.242 3.718 3.960 0.001 0.000 0.218 309 G C 1.752 176.567 174.900 -0.141 0.000 1.146 309 G CA 0.789 45.759 45.100 -0.216 0.000 0.769 309 G HN 0.452 nan 8.290 nan 0.000 0.547 310 A N 0.683 123.473 122.820 -0.050 0.000 1.930 310 A HA 0.062 4.383 4.320 0.001 0.000 0.217 310 A C 2.689 180.242 177.584 -0.052 0.000 1.175 310 A CA 2.125 54.151 52.037 -0.019 0.000 0.627 310 A CB -0.502 18.506 19.000 0.014 0.000 0.815 310 A HN 0.297 nan 8.150 nan 0.000 0.443 311 S N -0.095 115.561 115.700 -0.074 0.000 2.368 311 S HA -0.025 4.445 4.470 0.001 0.000 0.225 311 S C 2.291 176.812 174.600 -0.132 0.000 1.030 311 S CA 1.105 59.251 58.200 -0.090 0.000 0.999 311 S CB -0.414 62.731 63.200 -0.091 0.000 0.844 311 S HN 0.786 nan 8.310 nan 0.000 0.459 312 A N 1.288 123.996 122.820 -0.187 0.000 1.933 312 A HA -0.033 4.287 4.320 0.001 0.000 0.218 312 A C 2.049 179.515 177.584 -0.196 0.000 1.175 312 A CA 1.110 52.981 52.037 -0.278 0.000 0.628 312 A CB -0.645 18.138 19.000 -0.362 0.000 0.814 312 A HN 0.482 nan 8.150 nan 0.000 0.444 313 I N -0.741 119.764 120.570 -0.108 0.000 2.202 313 I HA -0.251 3.920 4.170 0.001 0.000 0.242 313 I C 2.554 178.671 176.117 -0.001 0.000 1.091 313 I CA 1.740 63.047 61.300 0.012 0.000 1.368 313 I CB -0.301 37.747 38.000 0.079 0.000 1.058 313 I HN 0.528 nan 8.210 nan 0.000 0.410 314 E N 1.241 121.426 120.200 -0.026 0.000 2.085 314 E HA -0.285 4.065 4.350 0.001 0.000 0.194 314 E C 2.220 178.805 176.600 -0.024 0.000 0.994 314 E CA 1.542 57.930 56.400 -0.020 0.000 0.801 314 E CB -0.038 29.643 29.700 -0.032 0.000 0.743 314 E HN 0.504 nan 8.360 nan 0.000 0.453 315 A N 0.794 123.576 122.820 -0.065 0.000 1.898 315 A HA -0.118 4.203 4.320 0.001 0.000 0.216 315 A C 2.156 179.704 177.584 -0.059 0.000 1.181 315 A CA 1.186 53.183 52.037 -0.068 0.000 0.620 315 A CB -0.516 18.403 19.000 -0.134 0.000 0.819 315 A HN 0.328 nan 8.150 nan 0.000 0.442 316 I N -0.255 120.250 120.570 -0.107 0.000 2.226 316 I HA -0.251 3.919 4.170 0.001 0.000 0.245 316 I C 2.332 178.494 176.117 0.074 0.000 1.100 316 I CA 1.014 62.250 61.300 -0.107 0.000 1.374 316 I CB -0.305 37.601 38.000 -0.156 0.000 1.057 316 I HN 0.288 nan 8.210 nan 0.000 0.413 317 L N -0.201 121.064 121.223 0.070 0.000 2.046 317 L HA -0.227 4.114 4.340 0.001 0.000 0.208 317 L C 2.561 179.488 176.870 0.094 0.000 1.077 317 L CA 0.953 55.849 54.840 0.093 0.000 0.747 317 L CB -0.518 41.579 42.059 0.063 0.000 0.896 317 L HN 0.289 nan 8.230 nan 0.000 0.432 318 L N -0.167 121.102 121.223 0.077 0.000 2.056 318 L HA -0.180 4.160 4.340 0.001 0.000 0.207 318 L C 2.288 179.238 176.870 0.133 0.000 1.078 318 L CA 1.691 56.584 54.840 0.089 0.000 0.749 318 L CB -0.388 41.716 42.059 0.074 0.000 0.901 318 L HN 0.094 nan 8.230 nan 0.000 0.433 319 L N -0.656 120.668 121.223 0.169 0.000 2.141 319 L HA -0.138 4.202 4.340 0.001 0.000 0.209 319 L C 2.611 179.618 176.870 0.229 0.000 1.094 319 L CA 1.010 56.000 54.840 0.251 0.000 0.763 319 L CB -0.816 41.428 42.059 0.308 0.000 0.908 319 L HN 0.365 nan 8.230 nan 0.000 0.437 320 A N 0.110 123.088 122.820 0.264 0.000 2.019 320 A HA -0.207 4.114 4.320 0.001 0.000 0.219 320 A C 2.322 179.894 177.584 -0.020 0.000 1.164 320 A CA 1.298 53.412 52.037 0.129 0.000 0.644 320 A CB -0.468 18.642 19.000 0.183 0.000 0.805 320 A HN 0.347 nan 8.150 nan 0.000 0.449 321 R N -0.649 119.868 120.500 0.027 0.000 2.159 321 R HA -0.098 4.243 4.340 0.001 0.000 0.237 321 R C 1.959 178.241 176.300 -0.029 0.000 1.131 321 R CA 1.207 57.309 56.100 0.002 0.000 0.982 321 R CB -0.312 30.010 30.300 0.037 0.000 0.868 321 R HN 0.501 nan 8.270 nan 0.000 0.453 322 A N -0.142 122.654 122.820 -0.040 0.000 2.308 322 A HA 0.184 4.505 4.320 0.001 0.000 0.217 322 A C 0.553 178.030 177.584 -0.178 0.000 1.216 322 A CA 0.007 52.004 52.037 -0.067 0.000 0.864 322 A CB 0.246 19.247 19.000 0.003 0.000 0.902 322 A HN -0.003 nan 8.150 nan 0.000 0.499 323 M N 1.560 120.992 119.600 -0.279 0.000 2.283 323 M HA 0.194 4.675 4.480 0.001 0.000 0.314 323 M C -0.036 176.083 176.300 -0.302 0.000 1.153 323 M CA -1.033 54.012 55.300 -0.424 0.000 1.084 323 M CB 0.240 32.403 32.600 -0.728 0.000 1.468 323 M HN 0.493 nan 8.290 nan 0.000 0.474 324 D N 1.029 121.252 120.400 -0.294 0.000 2.390 324 D HA -0.002 4.638 4.640 0.001 0.000 0.236 324 D C -2.111 174.055 176.300 -0.224 0.000 1.189 324 D CA -0.949 52.924 54.000 -0.213 0.000 0.887 324 D CB 0.142 40.832 40.800 -0.183 0.000 1.198 324 D HN 0.223 nan 8.370 nan 0.000 0.444 325 P HA -0.177 nan 4.420 nan 0.000 0.215 325 P C 1.408 178.610 177.300 -0.163 0.000 1.157 325 P CA 2.391 65.405 63.100 -0.144 0.000 0.874 325 P CB -0.048 31.591 31.700 -0.100 0.000 0.790 326 A N -1.160 121.566 122.820 -0.157 0.000 1.902 326 A HA -0.179 4.141 4.320 0.001 0.000 0.217 326 A C 2.270 179.719 177.584 -0.225 0.000 1.181 326 A CA 2.449 54.395 52.037 -0.151 0.000 0.623 326 A CB -1.837 17.092 19.000 -0.118 0.000 0.818 326 A HN 0.166 nan 8.150 nan 0.000 0.443 327 T N 0.134 114.490 114.554 -0.329 0.000 2.777 327 T HA 0.057 4.407 4.350 0.001 0.000 0.266 327 T C 2.261 176.517 174.700 -0.739 0.000 1.040 327 T CA 1.401 63.150 62.100 -0.584 0.000 1.141 327 T CB -0.458 67.971 68.868 -0.731 0.000 0.868 327 T HN 0.591 nan 8.240 nan 0.000 0.444 328 A N 1.707 124.202 122.820 -0.541 0.000 1.873 328 A HA 0.020 4.340 4.320 0.001 0.000 0.218 328 A C 2.643 180.117 177.584 -0.184 0.000 1.193 328 A CA 2.089 53.913 52.037 -0.356 0.000 0.629 328 A CB -1.219 17.639 19.000 -0.237 0.000 0.826 328 A HN 0.515 nan 8.150 nan 0.000 0.447 329 A N -0.573 122.152 122.820 -0.158 0.000 1.930 329 A HA -0.116 4.204 4.320 0.001 0.000 0.217 329 A C 2.161 179.706 177.584 -0.065 0.000 1.175 329 A CA 2.115 54.097 52.037 -0.091 0.000 0.627 329 A CB -0.428 18.522 19.000 -0.084 0.000 0.815 329 A HN 0.501 nan 8.150 nan 0.000 0.443 330 R N -0.869 119.578 120.500 -0.089 0.000 2.073 330 R HA -0.159 4.181 4.340 0.001 0.000 0.234 330 R C 1.736 178.106 176.300 0.116 0.000 1.134 330 R CA 2.022 58.115 56.100 -0.012 0.000 0.952 330 R CB -0.705 29.587 30.300 -0.012 0.000 0.850 330 R HN 0.634 nan 8.270 nan 0.000 0.433 331 W N 0.889 122.136 121.300 -0.088 0.000 2.381 331 W HA 0.022 4.682 4.660 0.000 0.000 0.301 331 W C 2.176 178.638 176.519 -0.096 0.000 1.205 331 W CA 0.919 58.217 57.345 -0.079 0.000 1.285 331 W CB -0.762 28.666 29.460 -0.055 0.000 1.133 331 W HN 0.196 nan 8.180 nan 0.000 0.521 332 R N -0.419 120.162 120.500 0.137 0.000 2.096 332 R HA -0.076 4.264 4.340 0.001 0.000 0.235 332 R C 2.566 178.850 176.300 -0.026 0.000 1.127 332 R CA 1.516 57.645 56.100 0.047 0.000 0.968 332 R CB -1.113 29.199 30.300 0.021 0.000 0.861 332 R HN 0.194 nan 8.270 nan 0.000 0.440 333 G N 0.988 109.756 108.800 -0.053 0.000 2.418 333 G HA2 -0.218 3.743 3.960 0.001 0.000 0.217 333 G HA3 -0.218 3.743 3.960 0.001 0.000 0.217 333 G C 1.422 176.183 174.900 -0.232 0.000 1.158 333 G CA 0.407 45.440 45.100 -0.111 0.000 0.771 333 G HN 0.117 nan 8.290 nan 0.000 0.545 334 L N 0.043 121.079 121.223 -0.311 0.000 2.012 334 L HA -0.160 4.181 4.340 0.001 0.000 0.210 334 L C 3.076 179.379 176.870 -0.945 0.000 1.073 334 L CA 1.071 55.450 54.840 -0.767 0.000 0.748 334 L CB -0.577 41.002 42.059 -0.799 0.000 0.891 334 L HN 0.263 nan 8.230 nan 0.000 0.431 335 C N -0.464 118.607 119.300 -0.381 0.000 2.446 335 C HA -0.117 4.343 4.460 0.001 0.000 0.277 335 C C 3.136 178.117 174.990 -0.015 0.000 1.275 335 C CA 0.589 59.605 59.018 -0.004 0.000 1.727 335 C CB -1.065 26.745 27.740 0.117 0.000 2.010 335 C HN 0.624 nan 8.230 nan 0.000 0.486 336 A N 0.740 123.516 122.820 -0.074 0.000 1.978 336 A HA 0.016 4.337 4.320 0.001 0.000 0.220 336 A C 2.347 179.897 177.584 -0.057 0.000 1.170 336 A CA 2.133 54.144 52.037 -0.044 0.000 0.636 336 A CB -1.094 17.875 19.000 -0.051 0.000 0.810 336 A HN 0.577 nan 8.150 nan 0.000 0.448 337 G N -1.584 107.116 108.800 -0.167 0.000 2.394 337 G HA2 -0.182 3.779 3.960 0.001 0.000 0.215 337 G HA3 -0.182 3.779 3.960 0.001 0.000 0.215 337 G C 1.336 176.222 174.900 -0.022 0.000 1.165 337 G CA 0.793 45.799 45.100 -0.156 0.000 0.784 337 G HN 0.583 nan 8.290 nan 0.000 0.535 338 W N 0.714 122.026 121.300 0.021 0.000 2.425 338 W HA 0.142 4.803 4.660 0.000 0.000 0.277 338 W C 2.349 178.899 176.519 0.052 0.000 1.231 338 W CA 0.056 57.421 57.345 0.034 0.000 1.248 338 W CB -0.664 28.806 29.460 0.017 0.000 1.117 338 W HN 0.206 nan 8.180 nan 0.000 0.568 339 I N 0.062 120.772 120.570 0.233 0.000 2.277 339 I HA -0.201 3.969 4.170 0.001 0.000 0.243 339 I C 2.589 178.770 176.117 0.106 0.000 1.094 339 I CA 1.441 62.831 61.300 0.148 0.000 1.393 339 I CB -0.869 37.188 38.000 0.096 0.000 1.078 339 I HN -0.206 nan 8.210 nan 0.000 0.417 340 A N 0.803 123.669 122.820 0.075 0.000 1.930 340 A HA -0.155 4.165 4.320 0.001 0.000 0.217 340 A C 2.310 179.936 177.584 0.070 0.000 1.175 340 A CA 1.299 53.367 52.037 0.053 0.000 0.627 340 A CB -0.505 18.509 19.000 0.024 0.000 0.815 340 A HN 0.325 nan 8.150 nan 0.000 0.443 341 R N -0.490 120.069 120.500 0.099 0.000 2.236 341 R HA -0.034 4.306 4.340 0.001 0.000 0.208 341 R C -0.123 176.263 176.300 0.142 0.000 1.036 341 R CA 0.739 56.908 56.100 0.115 0.000 1.001 341 R CB -0.110 30.270 30.300 0.133 0.000 0.896 341 R HN 0.411 nan 8.270 nan 0.000 0.464 342 D N 0.997 121.493 120.400 0.159 0.000 2.494 342 D HA -0.004 4.636 4.640 0.001 0.000 0.217 342 D C 0.623 176.977 176.300 0.090 0.000 1.153 342 D CA -0.053 54.049 54.000 0.170 0.000 0.954 342 D CB 0.943 41.881 40.800 0.230 0.000 1.034 342 D HN 0.089 nan 8.370 nan 0.000 0.518 343 T N 0.272 114.876 114.554 0.083 0.000 3.107 343 T HA -0.051 4.299 4.350 0.001 0.000 0.249 343 T C 1.439 176.153 174.700 0.024 0.000 1.096 343 T CA 0.004 62.130 62.100 0.042 0.000 1.012 343 T CB -0.351 68.544 68.868 0.045 0.000 0.977 343 T HN 0.388 nan 8.240 nan 0.000 0.527 344 Y N 1.961 122.184 120.300 -0.129 0.000 2.301 344 Y HA 0.402 4.953 4.550 0.001 0.000 0.295 344 Y C 0.895 176.640 175.900 -0.258 0.000 1.126 344 Y CA 0.109 58.087 58.100 -0.204 0.000 1.154 344 Y CB 0.573 38.874 38.460 -0.265 0.000 1.075 344 Y HN -0.082 nan 8.280 nan 0.000 0.534 345 R N 1.539 121.747 120.500 -0.487 0.000 2.629 345 R HA 0.323 4.663 4.340 0.001 0.000 0.277 345 R C -2.967 173.227 176.300 -0.177 0.000 1.637 345 R CA -2.169 53.670 56.100 -0.434 0.000 1.663 345 R CB 0.323 30.333 30.300 -0.483 0.000 1.228 345 R HN 0.182 nan 8.270 nan 0.000 0.632 346 P HA 0.033 nan 4.420 nan 0.000 0.264 346 P C 1.200 178.475 177.300 -0.042 0.000 1.183 346 P CA 0.118 63.185 63.100 -0.055 0.000 0.763 346 P CB 0.779 32.444 31.700 -0.059 0.000 0.807 347 I N 3.013 123.578 120.570 -0.007 0.000 2.454 347 I HA -0.209 3.961 4.170 0.001 0.000 0.254 347 I C 1.405 177.499 176.117 -0.038 0.000 1.156 347 I CA 1.333 62.630 61.300 -0.005 0.000 1.433 347 I CB 0.060 38.072 38.000 0.020 0.000 1.082 347 I HN 0.334 nan 8.210 nan 0.000 0.432 348 L N 0.339 121.529 121.223 -0.055 0.000 2.478 348 L HA -0.029 4.311 4.340 0.001 0.000 0.223 348 L C 0.299 177.122 176.870 -0.079 0.000 1.140 348 L CA -0.052 54.739 54.840 -0.082 0.000 0.842 348 L CB -0.745 41.253 42.059 -0.101 0.000 0.953 348 L HN 0.219 nan 8.230 nan 0.000 0.452 349 N N 0.471 119.129 118.700 -0.072 0.000 2.452 349 N HA 0.010 4.750 4.740 0.001 0.000 0.266 349 N C 0.817 176.288 175.510 -0.066 0.000 1.209 349 N CA 0.360 53.367 53.050 -0.073 0.000 0.929 349 N CB 0.903 39.338 38.487 -0.086 0.000 1.063 349 N HN -0.017 nan 8.380 nan 0.000 0.472 350 S N -1.378 114.287 115.700 -0.059 0.000 3.270 350 S HA -0.241 4.229 4.470 0.001 0.000 0.293 350 S C 0.414 174.984 174.600 -0.050 0.000 1.278 350 S CA 0.849 59.019 58.200 -0.051 0.000 1.038 350 S CB -1.601 61.570 63.200 -0.049 0.000 1.218 350 S HN 0.917 nan 8.310 nan 0.000 0.659 351 A N 1.951 124.735 122.820 -0.060 0.000 2.498 351 A HA 0.550 4.870 4.320 0.001 0.000 0.239 351 A C 0.943 178.494 177.584 -0.055 0.000 1.068 351 A CA 0.418 52.418 52.037 -0.062 0.000 0.766 351 A CB 0.199 19.149 19.000 -0.084 0.000 1.003 351 A HN 1.241 nan 8.150 nan 0.000 0.497 352 S N 1.505 117.179 115.700 -0.042 0.000 2.596 352 S HA 0.192 4.662 4.470 0.001 0.000 0.260 352 S C 1.211 175.801 174.600 -0.015 0.000 1.336 352 S CA -0.095 58.090 58.200 -0.024 0.000 0.993 352 S CB 0.481 63.666 63.200 -0.024 0.000 0.923 352 S HN 0.781 nan 8.310 nan 0.000 0.567 353 V N 1.945 121.878 119.914 0.032 0.000 2.295 353 V HA -0.070 4.050 4.120 0.001 0.000 0.246 353 V C -0.608 175.552 176.094 0.111 0.000 1.049 353 V CA 1.864 64.235 62.300 0.118 0.000 1.024 353 V CB -2.106 29.812 31.823 0.159 0.000 0.648 353 V HN 0.719 nan 8.190 nan 0.000 0.447 354 P HA -0.178 nan 4.420 nan 0.000 0.215 354 P C 1.777 179.082 177.300 0.008 0.000 1.153 354 P CA 1.516 64.631 63.100 0.026 0.000 0.853 354 P CB -0.092 31.590 31.700 -0.029 0.000 0.788 355 R N -0.752 119.735 120.500 -0.022 0.000 2.081 355 R HA -0.100 4.240 4.340 0.001 0.000 0.235 355 R C 1.929 178.186 176.300 -0.072 0.000 1.131 355 R CA 2.036 58.113 56.100 -0.039 0.000 0.960 355 R CB -0.957 29.315 30.300 -0.046 0.000 0.856 355 R HN 0.087 nan 8.270 nan 0.000 0.436 356 T N 0.623 115.098 114.554 -0.131 0.000 2.684 356 T HA -0.159 4.191 4.350 0.001 0.000 0.267 356 T C 1.802 176.344 174.700 -0.263 0.000 1.036 356 T CA 1.477 63.395 62.100 -0.302 0.000 1.148 356 T CB -0.343 68.182 68.868 -0.572 0.000 0.863 356 T HN 0.479 nan 8.240 nan 0.000 0.436 357 A N 1.045 123.848 122.820 -0.029 0.000 1.902 357 A HA 0.002 4.322 4.320 0.001 0.000 0.217 357 A C 2.306 179.934 177.584 0.073 0.000 1.181 357 A CA 1.263 53.412 52.037 0.188 0.000 0.623 357 A CB -0.859 18.310 19.000 0.282 0.000 0.818 357 A HN 0.471 nan 8.150 nan 0.000 0.443 358 L N -0.645 120.597 121.223 0.032 0.000 2.083 358 L HA -0.152 4.188 4.340 0.001 0.000 0.209 358 L C 2.505 179.382 176.870 0.010 0.000 1.083 358 L CA 0.964 55.819 54.840 0.025 0.000 0.752 358 L CB -0.420 41.651 42.059 0.020 0.000 0.899 358 L HN 0.247 nan 8.230 nan 0.000 0.433 359 V N -0.481 119.421 119.914 -0.020 0.000 2.358 359 V HA -0.233 3.887 4.120 0.001 0.000 0.246 359 V C 2.548 178.626 176.094 -0.027 0.000 1.047 359 V CA 1.473 63.757 62.300 -0.026 0.000 1.035 359 V CB -0.504 31.288 31.823 -0.051 0.000 0.658 359 V HN 0.377 nan 8.190 nan 0.000 0.452 360 K N -0.024 120.351 120.400 -0.042 0.000 2.057 360 K HA -0.233 4.087 4.320 0.001 0.000 0.207 360 K C 2.174 178.789 176.600 0.025 0.000 1.049 360 K CA 1.641 57.923 56.287 -0.008 0.000 0.931 360 K CB -0.391 32.122 32.500 0.023 0.000 0.714 360 K HN 0.565 nan 8.250 nan 0.000 0.440 361 Q N 0.908 120.731 119.800 0.038 0.000 2.096 361 Q HA -0.189 4.151 4.340 0.001 0.000 0.204 361 Q C 2.188 178.201 176.000 0.021 0.000 0.982 361 Q CA 1.323 57.148 55.803 0.036 0.000 0.850 361 Q CB -0.102 28.660 28.738 0.041 0.000 0.901 361 Q HN 0.173 nan 8.270 nan 0.000 0.422 362 L N 1.197 122.431 121.223 0.017 0.000 2.017 362 L HA -0.192 4.148 4.340 0.001 0.000 0.208 362 L C 2.266 179.139 176.870 0.005 0.000 1.073 362 L CA 2.449 57.297 54.840 0.013 0.000 0.745 362 L CB -0.724 41.345 42.059 0.017 0.000 0.894 362 L HN 0.362 nan 8.230 nan 0.000 0.432 363 E N -0.485 119.716 120.200 0.003 0.000 2.118 363 E HA -0.249 4.102 4.350 0.001 0.000 0.195 363 E C 1.981 178.582 176.600 0.001 0.000 0.992 363 E CA 1.176 57.576 56.400 -0.001 0.000 0.804 363 E CB -0.192 29.505 29.700 -0.004 0.000 0.741 363 E HN 0.627 nan 8.360 nan 0.000 0.458 364 A N 0.630 123.454 122.820 0.007 0.000 2.015 364 A HA -0.144 4.177 4.320 0.001 0.000 0.219 364 A C 2.353 179.938 177.584 0.001 0.000 1.163 364 A CA 1.828 53.869 52.037 0.007 0.000 0.646 364 A CB -1.000 18.009 19.000 0.015 0.000 0.806 364 A HN 0.529 nan 8.150 nan 0.000 0.448 365 T N -3.476 111.077 114.554 -0.001 0.000 2.929 365 T HA 0.198 4.549 4.350 0.001 0.000 0.271 365 T C 1.680 176.373 174.700 -0.012 0.000 1.085 365 T CA 1.354 63.450 62.100 -0.008 0.000 1.125 365 T CB -0.731 68.132 68.868 -0.010 0.000 0.874 365 T HN 1.682 nan 8.240 nan 0.000 0.494 366 G N 0.681 109.475 108.800 -0.010 0.000 2.175 366 G HA2 -0.261 3.699 3.960 0.001 0.000 0.265 366 G HA3 -0.261 3.699 3.960 0.001 0.000 0.265 366 G C 0.200 175.088 174.900 -0.019 0.000 0.979 366 G CA 0.190 45.282 45.100 -0.014 0.000 0.663 366 G HN 0.772 nan 8.290 nan 0.000 0.533 367 V N 1.223 121.124 119.914 -0.022 0.000 2.599 367 V HA 0.418 4.538 4.120 0.001 0.000 0.300 367 V C 1.261 177.335 176.094 -0.033 0.000 1.034 367 V CA 0.307 62.589 62.300 -0.029 0.000 1.115 367 V CB 0.768 32.572 31.823 -0.030 0.000 0.934 367 V HN 1.045 nan 8.190 nan 0.000 0.485 368 A N 8.935 131.732 122.820 -0.039 0.000 2.351 368 A HA 0.578 4.898 4.320 0.001 0.000 0.257 368 A C -1.895 175.654 177.584 -0.060 0.000 1.087 368 A CA -1.266 50.746 52.037 -0.042 0.000 0.798 368 A CB -0.034 18.942 19.000 -0.040 0.000 1.033 368 A HN 0.721 nan 8.150 nan 0.000 0.488 369 P HA 0.232 nan 4.420 nan 0.000 0.271 369 P C -0.756 176.480 177.300 -0.106 0.000 1.216 369 P CA 0.032 63.078 63.100 -0.089 0.000 0.771 369 P CB 0.861 32.522 31.700 -0.064 0.000 0.864 370 V N 3.258 123.075 119.914 -0.161 0.000 2.427 370 V HA 0.419 4.539 4.120 0.001 0.000 0.286 370 V C 0.907 176.896 176.094 -0.174 0.000 1.034 370 V CA -0.697 61.507 62.300 -0.160 0.000 0.893 370 V CB 1.045 32.758 31.823 -0.185 0.000 0.982 370 V HN 0.743 nan 8.190 nan 0.000 0.452 371 A N 4.240 126.992 122.820 -0.114 0.000 2.366 371 A HA 0.375 4.695 4.320 0.001 0.000 0.249 371 A C 0.293 177.822 177.584 -0.091 0.000 1.084 371 A CA -0.343 51.641 52.037 -0.088 0.000 0.794 371 A CB 0.097 19.060 19.000 -0.061 0.000 1.034 371 A HN 0.859 nan 8.150 nan 0.000 0.491 372 E N 0.738 120.905 120.200 -0.055 0.000 2.290 372 E HA 0.374 4.724 4.350 0.001 0.000 0.277 372 E C 0.237 176.799 176.600 -0.063 0.000 1.035 372 E CA -0.126 56.256 56.400 -0.030 0.000 0.873 372 E CB 0.916 30.630 29.700 0.022 0.000 1.029 372 E HN 0.727 nan 8.360 nan 0.000 0.419 373 A N 3.376 126.160 122.820 -0.062 0.000 2.477 373 A HA 0.121 4.441 4.320 0.001 0.000 0.246 373 A C 0.636 178.144 177.584 -0.127 0.000 1.078 373 A CA -0.446 51.542 52.037 -0.081 0.000 0.770 373 A CB 0.005 18.968 19.000 -0.061 0.000 1.011 373 A HN 0.678 nan 8.150 nan 0.000 0.494 374 T N 0.559 115.023 114.554 -0.151 0.000 2.855 374 T HA 0.557 4.907 4.350 0.001 0.000 0.314 374 T C 0.781 175.346 174.700 -0.226 0.000 1.077 374 T CA 0.398 62.366 62.100 -0.220 0.000 1.095 374 T CB 0.835 69.585 68.868 -0.197 0.000 0.987 374 T HN 2.592 nan 8.240 nan 0.000 0.546 375 G N 0.950 109.544 108.800 -0.343 0.000 2.352 375 G HA2 0.100 4.060 3.960 0.001 0.000 0.324 375 G HA3 0.100 4.060 3.960 0.001 0.000 0.324 375 G C -1.312 173.271 174.900 -0.529 0.000 1.249 375 G CA -0.819 44.006 45.100 -0.458 0.000 1.053 375 G HN 1.107 nan 8.290 nan 0.000 0.492 376 H N 0.853 119.919 119.070 -0.007 0.000 2.495 376 H HA 0.632 5.189 4.556 0.000 0.000 0.348 376 H C -0.371 174.882 175.328 -0.124 0.000 1.113 376 H CA -0.431 55.599 56.048 -0.030 0.000 1.195 376 H CB 1.917 31.723 29.762 0.072 0.000 1.521 376 H HN 0.372 nan 8.280 nan 0.000 0.509 377 K N 3.821 124.150 120.400 -0.118 0.000 2.502 377 K HA 0.385 4.705 4.320 0.001 0.000 0.254 377 K C -0.505 175.844 176.600 -0.418 0.000 0.947 377 K CA -0.474 55.655 56.287 -0.263 0.000 0.834 377 K CB 2.220 34.594 32.500 -0.210 0.000 1.112 377 K HN 0.473 nan 8.250 nan 0.000 0.427 378 L N 3.075 124.009 121.223 -0.481 0.000 2.317 378 L HA 0.550 4.890 4.340 0.001 0.000 0.281 378 L C -0.340 176.143 176.870 -0.645 0.000 1.024 378 L CA -0.840 53.772 54.840 -0.380 0.000 0.810 378 L CB 0.664 42.622 42.059 -0.167 0.000 1.240 378 L HN 0.458 nan 8.230 nan 0.000 0.427 379 F N 2.832 122.753 119.950 -0.048 0.000 2.531 379 F HA 0.315 4.842 4.527 0.000 0.000 0.333 379 F C -1.649 174.110 175.800 -0.069 0.000 1.292 379 F CA -1.420 56.544 58.000 -0.059 0.000 1.184 379 F CB 0.655 39.611 39.000 -0.074 0.000 1.426 379 F HN 0.319 nan 8.300 nan 0.000 0.559 380 P HA -0.199 nan 4.420 nan 0.000 0.219 380 P C 1.630 178.913 177.300 -0.029 0.000 1.146 380 P CA 1.260 64.375 63.100 0.024 0.000 0.808 380 P CB 0.249 31.953 31.700 0.008 0.000 0.779 381 A N 0.297 123.056 122.820 -0.101 0.000 2.019 381 A HA -0.106 4.214 4.320 0.001 0.000 0.219 381 A C 1.859 179.223 177.584 -0.367 0.000 1.164 381 A CA 1.739 53.577 52.037 -0.333 0.000 0.644 381 A CB -1.177 17.377 19.000 -0.744 0.000 0.805 381 A HN 0.374 nan 8.150 nan 0.000 0.449 382 M N -3.606 115.870 119.600 -0.208 0.000 2.502 382 M HA 0.349 4.829 4.480 0.001 0.000 0.351 382 M C -0.746 175.516 176.300 -0.063 0.000 1.118 382 M CA -0.087 55.110 55.300 -0.172 0.000 0.952 382 M CB 0.290 32.778 32.600 -0.187 0.000 1.424 382 M HN -0.011 nan 8.290 nan 0.000 0.529 383 D N 2.248 122.641 120.400 -0.011 0.000 2.689 383 D HA -0.121 4.519 4.640 0.001 0.000 0.237 383 D C -0.737 175.585 176.300 0.037 0.000 1.148 383 D CA 0.848 54.869 54.000 0.036 0.000 0.656 383 D CB -0.462 40.356 40.800 0.031 0.000 1.050 383 D HN 0.503 nan 8.370 nan 0.000 0.426 384 R N -0.445 120.094 120.500 0.066 0.000 2.744 384 R HA 0.740 5.080 4.340 0.001 0.000 0.279 384 R C 0.317 176.700 176.300 0.137 0.000 0.977 384 R CA -0.531 55.609 56.100 0.067 0.000 0.906 384 R CB 1.992 32.299 30.300 0.011 0.000 1.197 384 R HN 0.203 nan 8.270 nan 0.000 0.463 385 T N -1.286 113.308 114.554 0.066 0.000 2.903 385 T HA 0.686 5.036 4.350 0.001 0.000 0.299 385 T C -0.227 174.373 174.700 -0.166 0.000 1.093 385 T CA -0.905 61.179 62.100 -0.027 0.000 1.002 385 T CB 1.745 70.616 68.868 0.005 0.000 1.127 385 T HN 0.177 nan 8.240 nan 0.000 0.488 386 M N 2.637 122.029 119.600 -0.346 0.000 2.465 386 M HA 0.482 4.963 4.480 0.001 0.000 0.316 386 M C -0.940 175.010 176.300 -0.583 0.000 1.121 386 M CA -0.521 54.595 55.300 -0.307 0.000 0.934 386 M CB 1.876 34.432 32.600 -0.073 0.000 1.692 386 M HN 0.821 nan 8.290 nan 0.000 0.444 387 H N 1.806 120.948 119.070 0.120 0.000 2.856 387 H HA 0.562 5.118 4.556 0.001 0.000 0.355 387 H C -0.895 174.387 175.328 -0.075 0.000 1.079 387 H CA -0.668 55.459 56.048 0.132 0.000 1.240 387 H CB 2.321 32.332 29.762 0.415 0.000 1.701 387 H HN 0.556 nan 8.280 nan 0.000 0.527 388 R N 0.954 121.268 120.500 -0.309 0.000 2.744 388 R HA 0.668 5.008 4.340 0.001 0.000 0.279 388 R C -0.244 175.390 176.300 -1.110 0.000 0.977 388 R CA -0.883 54.794 56.100 -0.705 0.000 0.906 388 R CB 2.873 32.942 30.300 -0.385 0.000 1.197 388 R HN 0.772 nan 8.270 nan 0.000 0.463 389 G N 1.398 109.110 108.800 -1.813 0.000 2.766 389 G HA2 0.500 4.460 3.960 0.001 0.000 0.288 389 G HA3 0.500 4.460 3.960 0.001 0.000 0.288 389 G C -2.891 171.547 174.900 -0.770 0.000 1.408 389 G CA -1.463 42.985 45.100 -1.086 0.000 0.852 389 G HN 0.233 nan 8.290 nan 0.000 0.487 390 P HA 0.258 nan 4.420 nan 0.000 0.260 390 P C 0.869 178.186 177.300 0.030 0.000 1.207 390 P CA 1.677 64.726 63.100 -0.085 0.000 0.780 390 P CB 0.740 32.448 31.700 0.013 0.000 0.789 391 G N 1.948 110.758 108.800 0.016 0.000 2.176 391 G HA2 -0.150 3.810 3.960 0.001 0.000 0.253 391 G HA3 -0.150 3.810 3.960 0.001 0.000 0.253 391 G C -0.369 174.702 174.900 0.285 0.000 0.979 391 G CA -0.120 45.066 45.100 0.142 0.000 0.641 391 G HN 0.612 nan 8.290 nan 0.000 0.530 392 W N -1.596 119.778 121.300 0.124 0.000 3.137 392 W HA 0.783 5.443 4.660 0.000 0.000 0.324 392 W C -0.693 175.955 176.519 0.216 0.000 1.253 392 W CA -1.513 55.955 57.345 0.205 0.000 1.183 392 W CB 1.137 30.733 29.460 0.228 0.000 1.424 392 W HN 1.033 nan 8.180 nan 0.000 0.566 393 A N 3.066 126.220 122.820 0.556 0.000 2.381 393 A HA 0.631 4.951 4.320 0.001 0.000 0.299 393 A C -2.069 175.862 177.584 0.578 0.000 1.049 393 A CA -0.703 51.560 52.037 0.377 0.000 0.715 393 A CB 1.726 20.812 19.000 0.144 0.000 1.222 393 A HN 0.715 nan 8.150 nan 0.000 0.428 394 L N 2.579 124.149 121.223 0.579 0.000 2.275 394 L HA 0.740 5.080 4.340 0.001 0.000 0.288 394 L C 0.149 177.147 176.870 0.215 0.000 1.046 394 L CA 0.244 55.249 54.840 0.275 0.000 0.805 394 L CB 1.595 43.778 42.059 0.207 0.000 1.193 394 L HN 0.602 nan 8.230 nan 0.000 0.426 395 S N 6.011 121.788 115.700 0.127 0.000 2.498 395 S HA 0.645 5.116 4.470 0.001 0.000 0.317 395 S C -0.712 173.920 174.600 0.054 0.000 1.090 395 S CA -0.726 57.505 58.200 0.051 0.000 1.089 395 S CB 0.369 63.538 63.200 -0.052 0.000 0.997 395 S HN 0.640 nan 8.310 nan 0.000 0.470 396 L N 3.912 125.121 121.223 -0.024 0.000 2.307 396 L HA 0.750 5.090 4.340 0.001 0.000 0.282 396 L C 0.172 177.003 176.870 -0.064 0.000 1.051 396 L CA -0.754 53.987 54.840 -0.165 0.000 0.804 396 L CB 1.571 43.387 42.059 -0.406 0.000 1.197 396 L HN 0.785 nan 8.230 nan 0.000 0.431 397 A N 5.300 128.113 122.820 -0.013 0.000 2.310 397 A HA 0.750 5.071 4.320 0.001 0.000 0.304 397 A C -0.567 177.053 177.584 0.059 0.000 1.231 397 A CA -0.479 51.600 52.037 0.069 0.000 0.799 397 A CB 0.600 19.730 19.000 0.216 0.000 1.162 397 A HN 0.637 nan 8.150 nan 0.000 0.486 398 L N 1.382 122.635 121.223 0.050 0.000 2.421 398 L HA 0.872 5.213 4.340 0.001 0.000 0.267 398 L C 0.588 177.504 176.870 0.077 0.000 1.036 398 L CA -0.831 54.065 54.840 0.095 0.000 0.829 398 L CB 1.838 43.963 42.059 0.110 0.000 1.437 398 L HN 0.779 nan 8.230 nan 0.000 0.488 399 S N -0.981 114.750 115.700 0.052 0.000 2.596 399 S HA 0.880 5.350 4.470 0.001 0.000 0.270 399 S C -0.830 173.715 174.600 -0.091 0.000 1.155 399 S CA -0.247 57.919 58.200 -0.057 0.000 0.827 399 S CB 1.914 65.023 63.200 -0.151 0.000 1.130 399 S HN 0.931 nan 8.310 nan 0.000 0.467 400 S N -0.058 115.546 115.700 -0.160 0.000 2.694 400 S HA 0.382 4.852 4.470 0.001 0.000 0.273 400 S C 0.014 174.526 174.600 -0.147 0.000 1.180 400 S CA -0.247 57.893 58.200 -0.101 0.000 0.864 400 S CB -0.089 63.127 63.200 0.027 0.000 1.198 400 S HN 1.066 nan 8.310 nan 0.000 0.499 401 N N 0.188 118.851 118.700 -0.061 0.000 2.573 401 N HA 0.017 4.757 4.740 0.001 0.000 0.187 401 N C 1.151 176.640 175.510 -0.035 0.000 1.107 401 N CA 0.621 53.640 53.050 -0.052 0.000 0.918 401 N CB -0.306 38.188 38.487 0.013 0.000 0.966 401 N HN 0.552 nan 8.380 nan 0.000 0.448 402 R N -0.836 119.646 120.500 -0.030 0.000 2.279 402 R HA 0.328 4.668 4.340 0.001 0.000 0.195 402 R C -0.350 175.923 176.300 -0.045 0.000 0.905 402 R CA 0.121 56.208 56.100 -0.022 0.000 1.044 402 R CB 0.724 31.019 30.300 -0.008 0.000 1.056 402 R HN 0.193 nan 8.270 nan 0.000 0.535 403 I N 0.948 121.472 120.570 -0.077 0.000 2.478 403 I HA 0.325 4.495 4.170 0.001 0.000 0.287 403 I C -0.009 176.036 176.117 -0.119 0.000 1.042 403 I CA -1.297 59.958 61.300 -0.075 0.000 1.067 403 I CB 1.450 39.414 38.000 -0.061 0.000 1.233 403 I HN -0.007 nan 8.210 nan 0.000 0.431 404 A N 6.065 128.850 122.820 -0.059 0.000 2.466 404 A HA 0.100 4.421 4.320 0.001 0.000 0.238 404 A C 1.064 178.691 177.584 0.071 0.000 1.074 404 A CA -0.027 51.999 52.037 -0.019 0.000 0.774 404 A CB 0.127 19.180 19.000 0.089 0.000 1.015 404 A HN 0.817 nan 8.150 nan 0.000 0.498 405 W N 0.005 121.402 121.300 0.162 0.000 2.321 405 W HA -0.089 4.571 4.660 0.000 0.000 0.306 405 W C 0.684 177.387 176.519 0.306 0.000 1.217 405 W CA 2.473 59.946 57.345 0.213 0.000 1.257 405 W CB -0.850 28.755 29.460 0.242 0.000 1.145 405 W HN 0.799 nan 8.180 nan 0.000 0.509 406 Y N -3.331 117.126 120.300 0.261 0.000 2.687 406 Y HA 0.417 4.967 4.550 0.001 0.000 0.338 406 Y C -1.262 174.694 175.900 0.093 0.000 1.189 406 Y CA -1.568 56.606 58.100 0.122 0.000 1.097 406 Y CB 0.595 39.108 38.460 0.088 0.000 1.342 406 Y HN -0.182 nan 8.280 nan 0.000 0.461 407 E N 2.412 122.560 120.200 -0.086 0.000 2.151 407 E HA 0.604 4.954 4.350 0.001 0.000 0.275 407 E C -1.039 175.373 176.600 -0.314 0.000 0.936 407 E CA -0.772 55.502 56.400 -0.210 0.000 0.777 407 E CB 1.211 30.965 29.700 0.091 0.000 1.108 407 E HN 0.866 nan 8.360 nan 0.000 0.401 408 C N 2.107 121.059 119.300 -0.581 0.000 2.562 408 C HA 1.075 5.536 4.460 0.001 0.000 0.332 408 C C 0.370 174.895 174.990 -0.776 0.000 1.201 408 C CA -0.096 58.649 59.018 -0.454 0.000 1.803 408 C CB 0.463 28.016 27.740 -0.312 0.000 2.328 408 C HN 0.830 nan 8.230 nan 0.000 0.500 409 G N 1.213 109.577 108.800 -0.727 0.000 2.404 409 G HA2 0.463 4.423 3.960 0.001 0.000 0.298 409 G HA3 0.463 4.423 3.960 0.001 0.000 0.298 409 G C -0.750 173.908 174.900 -0.404 0.000 1.577 409 G CA -0.544 43.859 45.100 -1.161 0.000 0.847 409 G HN 1.096 nan 8.290 nan 0.000 0.598 410 N N -0.874 117.773 118.700 -0.089 0.000 2.708 410 N HA -0.185 4.556 4.740 0.001 0.000 0.249 410 N C 1.563 177.071 175.510 -0.005 0.000 1.097 410 N CA 2.908 55.999 53.050 0.067 0.000 0.710 410 N CB -1.047 37.532 38.487 0.154 0.000 1.032 410 N HN 2.462 nan 8.380 nan 0.000 0.551 411 G N -1.138 107.632 108.800 -0.051 0.000 2.143 411 G HA2 -0.306 3.654 3.960 0.001 0.000 0.249 411 G HA3 -0.306 3.654 3.960 0.001 0.000 0.249 411 G C -0.362 174.517 174.900 -0.035 0.000 0.981 411 G CA 0.551 45.630 45.100 -0.034 0.000 0.665 411 G HN 0.576 nan 8.290 nan 0.000 0.528 412 E N -0.356 119.804 120.200 -0.067 0.000 2.187 412 E HA 0.517 4.867 4.350 0.001 0.000 0.268 412 E C 0.568 177.135 176.600 -0.055 0.000 0.896 412 E CA -0.744 55.634 56.400 -0.037 0.000 0.766 412 E CB 1.231 30.916 29.700 -0.025 0.000 1.142 412 E HN 0.152 nan 8.360 nan 0.000 0.408 413 N N 2.073 120.760 118.700 -0.022 0.000 2.776 413 N HA -0.177 4.563 4.740 0.001 0.000 0.250 413 N C 0.108 175.630 175.510 0.020 0.000 1.112 413 N CA 0.509 53.551 53.050 -0.014 0.000 0.733 413 N CB -1.099 37.395 38.487 0.012 0.000 1.097 413 N HN 0.493 nan 8.380 nan 0.000 0.558 414 N N -0.114 118.571 118.700 -0.026 0.000 2.348 414 N HA -0.110 4.631 4.740 0.001 0.000 0.185 414 N C 1.537 177.044 175.510 -0.005 0.000 1.019 414 N CA 0.979 54.050 53.050 0.037 0.000 0.880 414 N CB -0.121 38.357 38.487 -0.015 0.000 0.965 414 N HN 0.522 nan 8.380 nan 0.000 0.437 415 R N -0.025 120.292 120.500 -0.306 0.000 2.317 415 R HA 0.154 4.494 4.340 0.001 0.000 0.208 415 R C 1.249 176.866 176.300 -1.139 0.000 0.914 415 R CA -0.023 55.615 56.100 -0.769 0.000 1.060 415 R CB 0.077 29.787 30.300 -0.983 0.000 1.015 415 R HN 0.063 nan 8.270 nan 0.000 0.498 416 G N 0.207 108.650 108.800 -0.595 0.000 3.234 416 G HA2 -0.148 3.813 3.960 0.001 0.000 0.221 416 G HA3 -0.148 3.813 3.960 0.001 0.000 0.221 416 G C 0.548 174.950 174.900 -0.829 0.000 1.229 416 G CA -0.244 44.628 45.100 -0.379 0.000 0.909 416 G HN 0.444 nan 8.290 nan 0.000 0.510 417 Y N -1.706 117.964 120.300 -1.050 0.000 2.497 417 Y HA 0.034 4.584 4.550 0.000 0.000 0.292 417 Y C 1.827 177.333 175.900 -0.657 0.000 1.137 417 Y CA 0.232 57.511 58.100 -1.369 0.000 1.285 417 Y CB -0.698 37.075 38.460 -1.145 0.000 0.991 417 Y HN 0.422 nan 8.280 nan 0.000 0.556 418 H N -0.129 118.902 119.070 -0.065 0.000 2.529 418 H HA 0.097 4.654 4.556 0.001 0.000 0.277 418 H C 1.718 177.108 175.328 0.103 0.000 1.004 418 H CA 0.567 56.657 56.048 0.070 0.000 1.167 418 H CB 0.229 30.044 29.762 0.088 0.000 1.445 418 H HN 0.475 nan 8.280 nan 0.000 0.554 419 T N -2.934 111.724 114.554 0.175 0.000 3.072 419 T HA -0.036 4.314 4.350 0.001 0.000 0.266 419 T C 1.982 176.827 174.700 0.242 0.000 1.127 419 T CA 0.850 63.086 62.100 0.227 0.000 1.107 419 T CB 0.041 69.029 68.868 0.200 0.000 0.910 419 T HN 0.374 nan 8.240 nan 0.000 0.513 420 G N 0.244 109.206 108.800 0.270 0.000 3.434 420 G HA2 0.298 4.259 3.960 0.001 0.000 0.258 420 G HA3 0.298 4.259 3.960 0.001 0.000 0.258 420 G C 0.700 175.774 174.900 0.291 0.000 1.128 420 G CA -0.428 44.831 45.100 0.265 0.000 0.792 420 G HN 0.464 nan 8.290 nan 0.000 0.539 421 S N 0.609 116.489 115.700 0.300 0.000 2.602 421 S HA 0.426 4.896 4.470 0.001 0.000 0.246 421 S C 1.352 176.128 174.600 0.293 0.000 1.009 421 S CA 0.280 58.661 58.200 0.302 0.000 1.052 421 S CB 0.058 63.438 63.200 0.299 0.000 0.778 421 S HN 1.094 nan 8.310 nan 0.000 0.455 422 G N 2.156 111.134 108.800 0.296 0.000 2.255 422 G HA2 -0.211 3.750 3.960 0.001 0.000 0.239 422 G HA3 -0.211 3.750 3.960 0.001 0.000 0.239 422 G C -0.063 175.003 174.900 0.276 0.000 1.083 422 G CA -0.554 44.791 45.100 0.407 0.000 0.826 422 G HN 0.435 nan 8.290 nan 0.000 0.493 423 M N 1.332 121.007 119.600 0.126 0.000 2.245 423 M HA 0.320 4.800 4.480 0.001 0.000 0.344 423 M C 1.043 177.316 176.300 -0.046 0.000 1.170 423 M CA 1.038 56.352 55.300 0.022 0.000 1.135 423 M CB 0.594 33.145 32.600 -0.082 0.000 1.574 423 M HN 0.468 nan 8.290 nan 0.000 0.452 424 T N 0.633 115.162 114.554 -0.043 0.000 2.947 424 T HA 0.431 4.781 4.350 0.001 0.000 0.337 424 T C -0.958 173.664 174.700 -0.130 0.000 1.139 424 T CA -0.666 61.373 62.100 -0.102 0.000 0.992 424 T CB -0.232 68.706 68.868 0.117 0.000 1.043 424 T HN 0.352 nan 8.240 nan 0.000 0.498 425 Y N 2.446 122.617 120.300 -0.214 0.000 2.404 425 Y HA 0.444 4.994 4.550 0.000 0.000 0.344 425 Y C -0.068 175.805 175.900 -0.045 0.000 0.995 425 Y CA -1.441 56.534 58.100 -0.208 0.000 1.201 425 Y CB 0.428 38.674 38.460 -0.356 0.000 1.151 425 Y HN 0.602 nan 8.280 nan 0.000 0.517 426 F N 3.824 124.043 119.950 0.448 0.000 2.313 426 F HA 0.293 4.820 4.527 0.001 0.000 0.369 426 F C -0.473 175.642 175.800 0.524 0.000 1.109 426 F CA -0.985 57.318 58.000 0.504 0.000 1.132 426 F CB 0.015 39.309 39.000 0.490 0.000 1.291 426 F HN 0.395 nan 8.300 nan 0.000 0.496 427 Y N 1.575 122.220 120.300 0.575 0.000 2.309 427 Y HA 0.451 5.001 4.550 0.000 0.000 0.327 427 Y C 0.937 177.084 175.900 0.412 0.000 1.172 427 Y CA -0.328 58.042 58.100 0.450 0.000 1.280 427 Y CB 1.163 39.809 38.460 0.309 0.000 1.234 427 Y HN 0.631 nan 8.280 nan 0.000 0.512 428 T N -3.436 111.379 114.554 0.435 0.000 2.618 428 T HA 0.210 4.560 4.350 0.001 0.000 0.293 428 T C 0.808 175.649 174.700 0.236 0.000 1.093 428 T CA -0.214 62.090 62.100 0.340 0.000 1.061 428 T CB 0.562 69.616 68.868 0.310 0.000 1.498 428 T HN 0.411 nan 8.240 nan 0.000 0.494 429 S N -0.596 115.208 115.700 0.173 0.000 2.507 429 S HA -0.015 4.456 4.470 0.001 0.000 0.235 429 S C 0.656 175.305 174.600 0.082 0.000 0.988 429 S CA 0.994 59.267 58.200 0.122 0.000 0.944 429 S CB -0.884 62.372 63.200 0.094 0.000 0.762 429 S HN 0.786 nan 8.310 nan 0.000 0.526 430 D N 1.480 121.928 120.400 0.081 0.000 2.498 430 D HA 0.178 4.818 4.640 0.001 0.000 0.229 430 D C 0.876 177.145 176.300 -0.052 0.000 1.188 430 D CA -0.134 53.871 54.000 0.008 0.000 1.028 430 D CB -0.381 40.446 40.800 0.044 0.000 1.087 430 D HN 0.315 nan 8.370 nan 0.000 0.510 431 L N 1.893 123.053 121.223 -0.104 0.000 2.201 431 L HA 0.028 4.368 4.340 0.001 0.000 0.212 431 L C 2.245 178.851 176.870 -0.439 0.000 1.105 431 L CA 1.050 55.829 54.840 -0.101 0.000 0.775 431 L CB -0.047 41.993 42.059 -0.032 0.000 0.913 431 L HN 0.439 nan 8.230 nan 0.000 0.440 432 G N -1.221 107.056 108.800 -0.871 0.000 3.088 432 G HA2 -0.121 3.840 3.960 0.001 0.000 0.212 432 G HA3 -0.121 3.840 3.960 0.001 0.000 0.212 432 G C 1.284 176.069 174.900 -0.192 0.000 1.173 432 G CA -0.032 44.547 45.100 -0.869 0.000 0.779 432 G HN 0.229 nan 8.290 nan 0.000 0.540 433 Q N 0.704 120.356 119.800 -0.246 0.000 2.062 433 Q HA -0.225 4.115 4.340 0.001 0.000 0.209 433 Q C 1.412 176.991 176.000 -0.701 0.000 0.996 433 Q CA 1.856 57.355 55.803 -0.506 0.000 0.859 433 Q CB -0.492 27.763 28.738 -0.806 0.000 0.920 433 Q HN 0.641 nan 8.270 nan 0.000 0.415 434 Y N -1.334 118.780 120.300 -0.309 0.000 2.457 434 Y HA 0.190 4.740 4.550 0.001 0.000 0.263 434 Y C 1.056 176.986 175.900 0.050 0.000 1.164 434 Y CA 0.268 58.090 58.100 -0.462 0.000 1.274 434 Y CB 0.451 38.626 38.460 -0.475 0.000 1.097 434 Y HN 0.257 nan 8.280 nan 0.000 0.523 435 D N -0.379 120.191 120.400 0.284 0.000 2.423 435 D HA -0.072 4.568 4.640 0.001 0.000 0.208 435 D C 0.079 176.677 176.300 0.496 0.000 1.068 435 D CA 0.281 54.571 54.000 0.485 0.000 0.860 435 D CB 0.257 41.422 40.800 0.609 0.000 0.992 435 D HN 0.032 nan 8.370 nan 0.000 0.504 436 D N 0.104 120.730 120.400 0.376 0.000 2.631 436 D HA 0.365 5.006 4.640 0.001 0.000 0.227 436 D C 0.379 176.875 176.300 0.327 0.000 1.146 436 D CA 0.273 54.504 54.000 0.384 0.000 1.009 436 D CB -0.474 40.555 40.800 0.382 0.000 1.057 436 D HN 0.212 nan 8.370 nan 0.000 0.509 437 A N 2.503 125.595 122.820 0.454 0.000 2.816 437 A HA -0.325 3.995 4.320 0.001 0.000 0.270 437 A C 1.307 178.959 177.584 0.114 0.000 1.413 437 A CA 1.120 53.349 52.037 0.321 0.000 0.866 437 A CB -2.775 16.338 19.000 0.188 0.000 1.032 437 A HN 0.626 nan 8.150 nan 0.000 0.642 438 F N -1.042 118.927 119.950 0.032 0.000 2.095 438 F HA -0.067 4.460 4.527 0.000 0.000 0.298 438 F C 1.723 177.374 175.800 -0.249 0.000 1.104 438 F CA 2.699 60.605 58.000 -0.156 0.000 1.232 438 F CB -0.247 38.567 39.000 -0.309 0.000 0.987 438 F HN 0.488 nan 8.300 nan 0.000 0.475 439 W N -0.324 121.092 121.300 0.193 0.000 2.800 439 W HA 0.153 4.813 4.660 0.001 0.000 0.249 439 W C 2.232 178.530 176.519 -0.368 0.000 1.294 439 W CA 0.587 57.934 57.345 0.003 0.000 1.402 439 W CB -0.419 29.254 29.460 0.356 0.000 1.126 439 W HN 0.075 nan 8.180 nan 0.000 0.652 440 A N -0.270 122.155 122.820 -0.657 0.000 2.030 440 A HA -0.049 4.272 4.320 0.001 0.000 0.215 440 A C 1.897 179.304 177.584 -0.296 0.000 1.164 440 A CA 1.746 53.356 52.037 -0.711 0.000 0.697 440 A CB -0.737 17.514 19.000 -1.249 0.000 0.827 440 A HN 0.230 nan 8.150 nan 0.000 0.457 441 T N -3.963 110.437 114.554 -0.256 0.000 2.959 441 T HA 0.567 4.917 4.350 0.001 0.000 0.254 441 T C 0.880 175.361 174.700 -0.364 0.000 1.003 441 T CA 0.545 62.536 62.100 -0.182 0.000 0.950 441 T CB -0.345 68.513 68.868 -0.017 0.000 1.090 441 T HN 0.543 nan 8.240 nan 0.000 0.503 442 A N 2.388 124.836 122.820 -0.620 0.000 2.466 442 A HA 0.417 4.737 4.320 0.001 0.000 0.238 442 A C 0.473 177.706 177.584 -0.585 0.000 1.074 442 A CA -0.415 51.042 52.037 -0.968 0.000 0.774 442 A CB -0.205 17.875 19.000 -1.533 0.000 1.015 442 A HN 0.397 nan 8.150 nan 0.000 0.498 443 N N 0.976 119.375 118.700 -0.501 0.000 2.402 443 N HA 0.072 4.812 4.740 0.001 0.000 0.259 443 N C 0.004 175.283 175.510 -0.386 0.000 1.167 443 N CA 0.203 52.975 53.050 -0.463 0.000 0.949 443 N CB -0.190 37.876 38.487 -0.701 0.000 1.212 443 N HN 0.567 nan 8.380 nan 0.000 0.493 444 Y N 1.807 121.978 120.300 -0.215 0.000 2.651 444 Y HA -0.006 4.544 4.550 0.001 0.000 0.296 444 Y C 1.234 177.129 175.900 -0.008 0.000 1.150 444 Y CA 0.675 58.712 58.100 -0.104 0.000 1.348 444 Y CB 0.140 38.515 38.460 -0.141 0.000 0.983 444 Y HN 0.546 nan 8.280 nan 0.000 0.555 445 N N -0.163 118.549 118.700 0.021 0.000 2.236 445 N HA 0.096 4.837 4.740 0.001 0.000 0.196 445 N C 0.203 175.525 175.510 -0.314 0.000 1.114 445 N CA 0.336 53.328 53.050 -0.097 0.000 0.859 445 N CB 0.351 38.799 38.487 -0.065 0.000 0.982 445 N HN 0.329 nan 8.380 nan 0.000 0.493 446 R N 0.458 120.724 120.500 -0.389 0.000 2.635 446 R HA 0.309 4.650 4.340 0.001 0.000 0.393 446 R C -0.469 175.567 176.300 -0.439 0.000 1.070 446 R CA -0.234 55.579 56.100 -0.478 0.000 1.118 446 R CB 0.648 30.559 30.300 -0.648 0.000 1.341 446 R HN -0.023 nan 8.270 nan 0.000 0.628 447 L N 2.837 123.916 121.223 -0.239 0.000 2.461 447 L HA 0.190 4.530 4.340 0.001 0.000 0.272 447 L C -1.722 175.132 176.870 -0.025 0.000 1.197 447 L CA -1.569 53.217 54.840 -0.089 0.000 0.836 447 L CB 0.147 42.196 42.059 -0.017 0.000 1.105 447 L HN -0.112 nan 8.230 nan 0.000 0.477 448 P HA 0.004 nan 4.420 nan 0.000 0.264 448 P C 0.704 178.054 177.300 0.083 0.000 1.193 448 P CA 0.758 63.904 63.100 0.077 0.000 0.763 448 P CB 0.984 32.750 31.700 0.111 0.000 0.810 449 G N 3.037 111.930 108.800 0.155 0.000 2.268 449 G HA2 -0.259 3.702 3.960 0.001 0.000 0.240 449 G HA3 -0.259 3.702 3.960 0.001 0.000 0.240 449 G C 0.341 175.388 174.900 0.246 0.000 1.010 449 G CA 0.212 45.487 45.100 0.291 0.000 0.618 449 G HN 0.735 nan 8.290 nan 0.000 0.516 450 I N 0.260 120.907 120.570 0.129 0.000 2.882 450 I HA 0.648 4.818 4.170 0.001 0.000 0.286 450 I C 0.229 176.387 176.117 0.069 0.000 1.139 450 I CA -0.097 61.277 61.300 0.123 0.000 1.379 450 I CB 0.868 38.904 38.000 0.059 0.000 1.410 450 I HN 0.012 nan 8.210 nan 0.000 0.594 451 T N 4.695 119.311 114.554 0.104 0.000 2.867 451 T HA 0.548 4.898 4.350 0.001 0.000 0.282 451 T C -0.560 174.143 174.700 0.005 0.000 1.000 451 T CA -0.470 61.672 62.100 0.071 0.000 1.042 451 T CB 1.680 70.627 68.868 0.133 0.000 0.973 451 T HN 0.581 nan 8.240 nan 0.000 0.465 452 V N 3.123 123.007 119.914 -0.050 0.000 2.711 452 V HA 0.366 4.486 4.120 0.001 0.000 0.304 452 V C -1.405 174.629 176.094 -0.099 0.000 1.097 452 V CA -0.958 61.244 62.300 -0.163 0.000 0.906 452 V CB 2.045 33.630 31.823 -0.398 0.000 1.015 452 V HN 0.924 nan 8.190 nan 0.000 0.427 453 D N 4.074 124.437 120.400 -0.062 0.000 2.348 453 D HA 0.130 4.770 4.640 0.001 0.000 0.253 453 D C 1.263 177.521 176.300 -0.069 0.000 1.161 453 D CA 0.552 54.526 54.000 -0.044 0.000 0.876 453 D CB 2.115 42.902 40.800 -0.021 0.000 1.160 453 D HN 0.860 nan 8.370 nan 0.000 0.459 454 T N 0.271 114.776 114.554 -0.081 0.000 3.163 454 T HA -0.028 4.322 4.350 0.001 0.000 0.260 454 T C 0.843 175.498 174.700 -0.075 0.000 1.156 454 T CA -0.134 61.907 62.100 -0.098 0.000 1.072 454 T CB -0.477 68.321 68.868 -0.117 0.000 0.937 454 T HN 0.280 nan 8.240 nan 0.000 0.528 455 T N 4.929 119.444 114.554 -0.064 0.000 2.822 455 T HA 0.185 4.535 4.350 0.001 0.000 0.288 455 T C -2.341 172.309 174.700 -0.084 0.000 0.991 455 T CA -0.635 61.421 62.100 -0.074 0.000 1.176 455 T CB 0.343 69.162 68.868 -0.080 0.000 0.951 455 T HN 0.284 nan 8.240 nan 0.000 0.526 456 P HA 0.243 nan 4.420 nan 0.000 0.268 456 P C -0.541 176.647 177.300 -0.187 0.000 1.204 456 P CA -0.179 62.859 63.100 -0.104 0.000 0.768 456 P CB 0.449 32.100 31.700 -0.082 0.000 0.842 457 L N 5.064 126.095 121.223 -0.319 0.000 2.334 457 L HA 0.545 4.886 4.340 0.001 0.000 0.273 457 L C -1.884 174.727 176.870 -0.430 0.000 1.013 457 L CA -2.287 52.236 54.840 -0.529 0.000 0.816 457 L CB 1.508 42.908 42.059 -1.098 0.000 1.278 457 L HN 0.250 nan 8.230 nan 0.000 0.431 458 P HA 0.126 nan 4.420 nan 0.000 0.274 458 P C -1.091 176.169 177.300 -0.066 0.000 1.231 458 P CA -0.536 62.476 63.100 -0.148 0.000 0.790 458 P CB 0.648 32.280 31.700 -0.114 0.000 0.951 459 D N 1.705 122.131 120.400 0.043 0.000 2.506 459 D HA -0.031 4.610 4.640 0.001 0.000 0.234 459 D C 0.790 177.144 176.300 0.089 0.000 1.143 459 D CA 0.733 54.800 54.000 0.112 0.000 0.871 459 D CB 0.076 40.897 40.800 0.036 0.000 1.190 459 D HN 0.362 nan 8.370 nan 0.000 0.459 460 K N -1.497 119.011 120.400 0.179 0.000 3.341 460 K HA -0.185 4.135 4.320 0.001 0.000 0.305 460 K C 0.070 176.740 176.600 0.116 0.000 1.270 460 K CA -0.002 56.366 56.287 0.136 0.000 0.897 460 K CB -1.633 30.874 32.500 0.012 0.000 1.264 460 K HN 0.293 nan 8.250 nan 0.000 0.468 461 V N 2.056 122.027 119.914 0.095 0.000 2.814 461 V HA -0.111 4.010 4.120 0.001 0.000 0.307 461 V C 1.321 177.453 176.094 0.062 0.000 1.089 461 V CA 1.419 63.693 62.300 -0.043 0.000 1.212 461 V CB 0.559 32.204 31.823 -0.296 0.000 0.912 461 V HN 0.557 nan 8.190 nan 0.000 0.497 462 E N 2.524 122.720 120.200 -0.007 0.000 3.799 462 E HA -0.213 4.138 4.350 0.001 0.000 0.320 462 E C 0.549 177.204 176.600 0.092 0.000 0.760 462 E CA 1.374 57.812 56.400 0.063 0.000 1.153 462 E CB -1.857 27.901 29.700 0.097 0.000 1.589 462 E HN 2.108 nan 8.360 nan 0.000 0.448 463 G N 0.133 108.955 108.800 0.037 0.000 2.662 463 G HA2 -0.174 3.786 3.960 0.001 0.000 0.686 463 G HA3 -0.174 3.786 3.960 0.001 0.000 0.686 463 G C -0.507 174.321 174.900 -0.120 0.000 1.271 463 G CA -0.087 45.008 45.100 -0.008 0.000 0.816 463 G HN 0.085 nan 8.290 nan 0.000 0.608 464 Q N -0.927 118.779 119.800 -0.158 0.000 2.318 464 Q HA 0.462 4.802 4.340 0.001 0.000 0.222 464 Q C 0.221 176.089 176.000 -0.221 0.000 1.003 464 Q CA 0.130 55.693 55.803 -0.399 0.000 0.936 464 Q CB 0.650 29.044 28.738 -0.574 0.000 1.204 464 Q HN 0.911 nan 8.270 nan 0.000 0.524 465 W N -0.436 120.826 121.300 -0.064 0.000 4.849 465 W HA -0.220 4.441 4.660 0.001 0.000 0.358 465 W C 0.975 177.494 176.519 -0.000 0.000 1.331 465 W CA 0.164 57.496 57.345 -0.023 0.000 0.844 465 W CB -2.081 27.341 29.460 -0.063 0.000 2.434 465 W HN 1.059 nan 8.180 nan 0.000 1.458 466 G N -0.860 107.981 108.800 0.068 0.000 2.225 466 G HA2 -0.104 3.856 3.960 0.001 0.000 0.267 466 G HA3 -0.104 3.856 3.960 0.001 0.000 0.267 466 G C 1.098 176.071 174.900 0.122 0.000 1.024 466 G CA 0.530 45.685 45.100 0.091 0.000 0.784 466 G HN 1.332 nan 8.290 nan 0.000 0.507 467 A N -1.138 121.755 122.820 0.123 0.000 2.015 467 A HA 0.596 4.916 4.320 0.001 0.000 0.219 467 A C 1.675 179.332 177.584 0.122 0.000 1.163 467 A CA 2.154 54.265 52.037 0.123 0.000 0.646 467 A CB 0.023 19.096 19.000 0.121 0.000 0.806 467 A HN 2.135 nan 8.150 nan 0.000 0.448 468 A N -0.431 122.490 122.820 0.168 0.000 2.355 468 A HA 0.639 4.960 4.320 0.001 0.000 0.324 468 A C -0.272 177.400 177.584 0.147 0.000 1.117 468 A CA 0.005 52.168 52.037 0.211 0.000 0.785 468 A CB 1.285 20.496 19.000 0.352 0.000 1.254 468 A HN 1.224 nan 8.150 nan 0.000 0.453 469 V N -0.831 119.045 119.914 -0.063 0.000 2.914 469 V HA 0.826 4.946 4.120 0.001 0.000 0.314 469 V C -2.929 172.731 176.094 -0.723 0.000 1.084 469 V CA -2.542 59.501 62.300 -0.428 0.000 0.963 469 V CB 1.762 33.449 31.823 -0.227 0.000 1.025 469 V HN 0.721 nan 8.190 nan 0.000 0.432 470 P HA 0.268 nan 4.420 nan 0.000 0.271 470 P C -0.098 177.040 177.300 -0.270 0.000 1.220 470 P CA 0.191 62.854 63.100 -0.728 0.000 0.768 470 P CB 1.199 32.468 31.700 -0.717 0.000 0.848 471 A N 3.417 126.187 122.820 -0.084 0.000 3.037 471 A HA 0.187 4.507 4.320 0.001 0.000 0.272 471 A C 0.554 178.147 177.584 0.015 0.000 1.723 471 A CA -0.359 51.671 52.037 -0.011 0.000 1.413 471 A CB -1.072 17.953 19.000 0.042 0.000 1.112 471 A HN 0.582 nan 8.150 nan 0.000 0.606 472 D N -0.471 119.922 120.400 -0.013 0.000 2.437 472 D HA 0.193 4.833 4.640 0.001 0.000 0.259 472 D C 0.521 176.972 176.300 0.252 0.000 1.118 472 D CA -0.553 53.467 54.000 0.033 0.000 1.017 472 D CB 0.614 41.312 40.800 -0.170 0.000 1.120 472 D HN 0.299 nan 8.370 nan 0.000 0.541 473 E N -0.781 119.721 120.200 0.503 0.000 2.046 473 E HA 0.065 4.415 4.350 0.001 0.000 0.190 473 E C -0.074 176.828 176.600 0.502 0.000 0.982 473 E CA 0.914 57.551 56.400 0.394 0.000 0.800 473 E CB 0.099 29.973 29.700 0.291 0.000 0.756 473 E HN 0.604 nan 8.360 nan 0.000 0.449 474 W N -1.643 119.868 121.300 0.351 0.000 3.173 474 W HA 0.516 5.177 4.660 0.000 0.000 0.313 474 W C -1.739 174.965 176.519 0.307 0.000 1.228 474 W CA -0.790 56.712 57.345 0.262 0.000 1.185 474 W CB 0.468 30.052 29.460 0.206 0.000 1.390 474 W HN -0.350 nan 8.180 nan 0.000 0.568 475 S N 0.539 116.599 115.700 0.601 0.000 2.536 475 S HA 0.955 5.425 4.470 0.001 0.000 0.287 475 S C -0.124 174.825 174.600 0.580 0.000 1.101 475 S CA 0.040 58.559 58.200 0.532 0.000 0.950 475 S CB 2.225 65.592 63.200 0.277 0.000 1.056 475 S HN 1.143 nan 8.310 nan 0.000 0.481 476 G N 0.342 109.493 108.800 0.586 0.000 2.321 476 G HA2 0.748 4.708 3.960 0.001 0.000 0.296 476 G HA3 0.748 4.708 3.960 0.001 0.000 0.296 476 G C -1.952 173.130 174.900 0.304 0.000 1.287 476 G CA 0.069 45.370 45.100 0.335 0.000 0.846 476 G HN 1.209 nan 8.290 nan 0.000 0.508 477 A N -1.572 121.336 122.820 0.146 0.000 2.601 477 A HA 0.963 5.283 4.320 0.001 0.000 0.291 477 A C -0.631 176.985 177.584 0.054 0.000 1.075 477 A CA 0.439 52.554 52.037 0.130 0.000 0.671 477 A CB 1.541 20.620 19.000 0.132 0.000 1.277 477 A HN 1.860 nan 8.150 nan 0.000 0.417 478 T N -1.013 113.578 114.554 0.061 0.000 2.787 478 T HA 0.869 5.219 4.350 0.001 0.000 0.297 478 T C -1.396 173.318 174.700 0.024 0.000 1.221 478 T CA 0.352 62.470 62.100 0.030 0.000 1.006 478 T CB 1.642 70.525 68.868 0.025 0.000 1.328 478 T HN 2.415 nan 8.240 nan 0.000 0.509 479 A N 1.594 124.420 122.820 0.011 0.000 2.566 479 A HA 0.774 5.094 4.320 0.001 0.000 0.297 479 A C -2.076 175.527 177.584 0.032 0.000 1.059 479 A CA -0.580 51.451 52.037 -0.010 0.000 0.691 479 A CB 1.636 20.611 19.000 -0.040 0.000 1.282 479 A HN 0.866 nan 8.150 nan 0.000 0.401 480 L N 2.276 123.526 121.223 0.046 0.000 2.376 480 L HA 0.709 5.049 4.340 0.001 0.000 0.275 480 L C 0.919 177.842 176.870 0.088 0.000 0.987 480 L CA 1.454 56.333 54.840 0.065 0.000 0.828 480 L CB 1.337 43.437 42.059 0.068 0.000 1.249 480 L HN 2.276 nan 8.230 nan 0.000 0.409 481 G N 3.925 112.779 108.800 0.091 0.000 2.660 481 G HA2 -0.358 3.602 3.960 0.001 0.000 0.321 481 G HA3 -0.358 3.602 3.960 0.001 0.000 0.321 481 G C 0.611 175.604 174.900 0.154 0.000 1.246 481 G CA 0.744 45.902 45.100 0.096 0.000 1.000 481 G HN 0.727 nan 8.290 nan 0.000 0.550 482 E N -0.220 120.055 120.200 0.125 0.000 2.502 482 E HA 0.315 4.666 4.350 0.001 0.000 0.194 482 E C 0.206 176.978 176.600 0.288 0.000 1.062 482 E CA 0.235 56.728 56.400 0.154 0.000 0.867 482 E CB 0.475 30.213 29.700 0.064 0.000 0.888 482 E HN 0.234 nan 8.360 nan 0.000 0.510 483 V N 1.266 121.270 119.914 0.150 0.000 2.540 483 V HA 0.548 4.669 4.120 0.001 0.000 0.302 483 V C -0.236 175.756 176.094 -0.170 0.000 1.035 483 V CA -0.844 61.450 62.300 -0.011 0.000 0.873 483 V CB 1.570 33.341 31.823 -0.087 0.000 0.992 483 V HN 0.099 nan 8.190 nan 0.000 0.428 484 A N 3.641 126.222 122.820 -0.398 0.000 2.337 484 A HA 0.980 5.301 4.320 0.001 0.000 0.331 484 A C -0.158 177.455 177.584 0.048 0.000 1.137 484 A CA -0.411 51.442 52.037 -0.307 0.000 0.807 484 A CB 1.616 20.299 19.000 -0.528 0.000 1.250 484 A HN 1.360 nan 8.150 nan 0.000 0.468 485 A N 1.107 124.004 122.820 0.129 0.000 2.319 485 A HA 0.665 4.986 4.320 0.001 0.000 0.310 485 A C -0.950 176.721 177.584 0.144 0.000 1.152 485 A CA -0.422 51.752 52.037 0.227 0.000 0.783 485 A CB 0.919 20.142 19.000 0.371 0.000 1.184 485 A HN 1.175 nan 8.150 nan 0.000 0.474 486 V N 1.646 121.617 119.914 0.095 0.000 2.638 486 V HA 0.832 4.953 4.120 0.001 0.000 0.306 486 V C 0.513 176.825 176.094 0.362 0.000 1.052 486 V CA -0.119 62.343 62.300 0.269 0.000 0.885 486 V CB 2.005 34.005 31.823 0.296 0.000 0.999 486 V HN 1.240 nan 8.190 nan 0.000 0.424 487 G N 2.614 111.697 108.800 0.473 0.000 2.563 487 G HA2 0.700 4.660 3.960 0.001 0.000 0.302 487 G HA3 0.700 4.660 3.960 0.001 0.000 0.302 487 G C -1.510 173.617 174.900 0.379 0.000 1.301 487 G CA -0.518 44.797 45.100 0.358 0.000 0.965 487 G HN 0.647 nan 8.290 nan 0.000 0.480 488 Q N 0.057 120.068 119.800 0.352 0.000 2.263 488 Q HA 0.222 4.562 4.340 0.001 0.000 0.266 488 Q C -1.361 174.685 176.000 0.078 0.000 1.002 488 Q CA -0.749 55.214 55.803 0.268 0.000 0.790 488 Q CB 1.535 30.521 28.738 0.414 0.000 1.272 488 Q HN 0.838 nan 8.270 nan 0.000 0.435 489 H N 5.647 124.608 119.070 -0.181 0.000 3.004 489 H HA 0.188 4.744 4.556 0.000 0.000 0.267 489 H C -0.950 174.296 175.328 -0.136 0.000 1.165 489 H CA -0.575 55.245 56.048 -0.379 0.000 1.450 489 H CB 0.663 30.188 29.762 -0.395 0.000 1.488 489 H HN 0.512 nan 8.280 nan 0.000 0.478 490 L N 6.638 127.763 121.223 -0.164 0.000 2.319 490 L HA 0.193 4.534 4.340 0.001 0.000 0.280 490 L C -1.166 175.550 176.870 -0.258 0.000 1.099 490 L CA -0.138 54.638 54.840 -0.106 0.000 0.828 490 L CB 0.939 43.028 42.059 0.049 0.000 1.150 490 L HN 0.378 nan 8.230 nan 0.000 0.442 491 V N 5.594 125.419 119.914 -0.148 0.000 2.384 491 V HA 0.608 4.728 4.120 0.001 0.000 0.287 491 V C 0.815 177.090 176.094 0.301 0.000 1.020 491 V CA -0.380 61.917 62.300 -0.006 0.000 0.850 491 V CB 1.179 32.988 31.823 -0.023 0.000 0.987 491 V HN 0.973 nan 8.190 nan 0.000 0.436 492 G N 6.076 114.985 108.800 0.182 0.000 2.527 492 G HA2 0.490 4.450 3.960 0.001 0.000 0.248 492 G HA3 0.490 4.450 3.960 0.001 0.000 0.248 492 G C -2.415 172.445 174.900 -0.067 0.000 1.231 492 G CA -0.832 44.345 45.100 0.129 0.000 0.838 492 G HN 0.541 nan 8.290 nan 0.000 0.570 493 P HA 0.252 nan 4.420 nan 0.000 0.274 493 P C 0.740 177.682 177.300 -0.597 0.000 1.246 493 P CA 0.840 63.222 63.100 -1.196 0.000 0.795 493 P CB 1.149 31.987 31.700 -1.437 0.000 1.006 494 G N 1.353 109.833 108.800 -0.533 0.000 2.136 494 G HA2 -0.290 3.670 3.960 0.001 0.000 0.242 494 G HA3 -0.290 3.670 3.960 0.001 0.000 0.242 494 G C 0.532 175.312 174.900 -0.200 0.000 0.989 494 G CA 0.070 44.969 45.100 -0.336 0.000 0.682 494 G HN 0.597 nan 8.290 nan 0.000 0.522 495 R N -2.029 118.384 120.500 -0.146 0.000 3.758 495 R HA -0.269 4.072 4.340 0.001 0.000 0.299 495 R C 1.778 178.045 176.300 -0.056 0.000 1.182 495 R CA 2.169 58.232 56.100 -0.062 0.000 0.809 495 R CB -3.139 27.134 30.300 -0.045 0.000 1.249 495 R HN 1.404 nan 8.270 nan 0.000 0.497 496 T N -3.394 111.118 114.554 -0.070 0.000 2.962 496 T HA 0.094 4.445 4.350 0.001 0.000 0.270 496 T C 1.562 176.248 174.700 -0.024 0.000 1.088 496 T CA 1.396 63.465 62.100 -0.051 0.000 1.127 496 T CB 0.162 68.995 68.868 -0.058 0.000 0.883 496 T HN 0.860 nan 8.240 nan 0.000 0.493 497 G N 0.786 109.582 108.800 -0.006 0.000 2.159 497 G HA2 -0.207 3.754 3.960 0.001 0.000 0.256 497 G HA3 -0.207 3.754 3.960 0.001 0.000 0.256 497 G C -0.087 174.819 174.900 0.011 0.000 0.977 497 G CA 0.032 45.138 45.100 0.010 0.000 0.652 497 G HN 0.815 nan 8.290 nan 0.000 0.531 498 L N 1.647 122.874 121.223 0.007 0.000 2.499 498 L HA 0.651 4.991 4.340 0.001 0.000 0.273 498 L C 0.490 177.369 176.870 0.015 0.000 1.195 498 L CA 1.367 56.211 54.840 0.007 0.000 0.882 498 L CB 1.097 43.164 42.059 0.013 0.000 1.133 498 L HN 0.307 nan 8.230 nan 0.000 0.483 499 T N 4.344 118.900 114.554 0.003 0.000 2.912 499 T HA 0.873 5.223 4.350 0.001 0.000 0.299 499 T C -1.226 173.457 174.700 -0.027 0.000 1.052 499 T CA 0.056 62.168 62.100 0.020 0.000 0.996 499 T CB 1.081 70.002 68.868 0.089 0.000 1.070 499 T HN 1.087 nan 8.240 nan 0.000 0.465 500 A N 3.933 126.734 122.820 -0.031 0.000 2.589 500 A HA 0.781 5.101 4.320 0.001 0.000 0.296 500 A C -1.121 176.342 177.584 -0.202 0.000 1.062 500 A CA -0.892 51.077 52.037 -0.113 0.000 0.686 500 A CB 1.480 20.451 19.000 -0.049 0.000 1.282 500 A HN 0.803 nan 8.150 nan 0.000 0.404 501 R N 1.492 121.762 120.500 -0.383 0.000 2.239 501 R HA 0.420 4.760 4.340 0.001 0.000 0.332 501 R C -1.013 175.062 176.300 -0.376 0.000 0.988 501 R CA -0.314 55.391 56.100 -0.658 0.000 0.859 501 R CB 1.489 31.113 30.300 -1.126 0.000 1.148 501 R HN 0.584 nan 8.270 nan 0.000 0.482 502 K N 1.541 121.783 120.400 -0.263 0.000 2.274 502 K HA 0.433 4.753 4.320 0.001 0.000 0.262 502 K C -0.608 175.667 176.600 -0.542 0.000 0.961 502 K CA -0.446 55.599 56.287 -0.403 0.000 0.833 502 K CB 2.197 34.477 32.500 -0.367 0.000 1.102 502 K HN 0.357 nan 8.250 nan 0.000 0.436 503 S N 1.516 116.788 115.700 -0.715 0.000 2.570 503 S HA 0.542 5.012 4.470 0.001 0.000 0.286 503 S C -1.349 172.638 174.600 -1.022 0.000 1.099 503 S CA -0.924 56.876 58.200 -0.666 0.000 0.913 503 S CB 1.237 64.220 63.200 -0.361 0.000 1.085 503 S HN 0.448 nan 8.310 nan 0.000 0.480 504 W N 1.651 122.585 121.300 -0.610 0.000 2.839 504 W HA 0.494 5.155 4.660 0.000 0.000 0.334 504 W C -1.907 174.181 176.519 -0.720 0.000 1.064 504 W CA -0.709 56.354 57.345 -0.469 0.000 1.236 504 W CB 1.192 30.540 29.460 -0.188 0.000 1.405 504 W HN 0.528 nan 8.180 nan 0.000 0.478 505 F N 2.208 122.329 119.950 0.285 0.000 2.445 505 F HA 0.447 4.974 4.527 0.001 0.000 0.348 505 F C 0.027 176.046 175.800 0.365 0.000 1.125 505 F CA -1.015 57.168 58.000 0.305 0.000 0.983 505 F CB 1.421 40.605 39.000 0.306 0.000 1.198 505 F HN -0.224 nan 8.300 nan 0.000 0.436 506 V N 2.985 123.071 119.914 0.287 0.000 2.407 506 V HA 0.467 4.587 4.120 0.001 0.000 0.291 506 V C -0.031 176.143 176.094 0.133 0.000 1.018 506 V CA -0.681 61.733 62.300 0.191 0.000 0.842 506 V CB 1.324 33.149 31.823 0.005 0.000 0.996 506 V HN 0.839 nan 8.190 nan 0.000 0.426 507 S N 3.799 119.511 115.700 0.020 0.000 2.647 507 S HA 0.533 5.003 4.470 0.001 0.000 0.284 507 S C 1.484 176.217 174.600 0.221 0.000 1.134 507 S CA 0.164 58.291 58.200 -0.122 0.000 1.027 507 S CB 1.173 64.059 63.200 -0.524 0.000 1.180 507 S HN 0.899 nan 8.310 nan 0.000 0.521 508 G N 0.061 108.949 108.800 0.147 0.000 2.559 508 G HA2 0.017 3.977 3.960 0.001 0.000 0.216 508 G HA3 0.017 3.977 3.960 0.001 0.000 0.216 508 G C 0.570 175.724 174.900 0.423 0.000 1.126 508 G CA 1.017 46.239 45.100 0.203 0.000 0.778 508 G HN 0.859 nan 8.290 nan 0.000 0.543 509 D N -1.665 118.978 120.400 0.405 0.000 2.409 509 D HA 0.112 4.752 4.640 0.001 0.000 0.301 509 D C 0.585 176.922 176.300 0.063 0.000 1.095 509 D CA -0.034 54.199 54.000 0.388 0.000 0.929 509 D CB 0.350 41.289 40.800 0.232 0.000 1.623 509 D HN 0.098 nan 8.370 nan 0.000 0.506 510 V N 0.538 120.486 119.914 0.056 0.000 2.815 510 V HA 0.617 4.738 4.120 0.001 0.000 0.314 510 V C -0.484 175.635 176.094 0.042 0.000 1.064 510 V CA -0.580 61.670 62.300 -0.082 0.000 0.952 510 V CB 2.143 33.862 31.823 -0.173 0.000 1.020 510 V HN 0.087 nan 8.190 nan 0.000 0.439 511 T N 2.635 117.206 114.554 0.028 0.000 2.791 511 T HA 0.497 4.847 4.350 0.001 0.000 0.288 511 T C -0.498 174.302 174.700 0.166 0.000 0.999 511 T CA -0.268 61.947 62.100 0.192 0.000 0.952 511 T CB 1.326 70.390 68.868 0.328 0.000 0.938 511 T HN 0.349 nan 8.240 nan 0.000 0.444 512 V N 3.384 123.440 119.914 0.236 0.000 2.407 512 V HA 0.325 4.445 4.120 0.001 0.000 0.278 512 V C 0.017 176.158 176.094 0.078 0.000 1.037 512 V CA -0.684 61.693 62.300 0.128 0.000 0.900 512 V CB 0.929 32.847 31.823 0.158 0.000 0.983 512 V HN 1.014 nan 8.190 nan 0.000 0.459 513 C N 7.063 126.256 119.300 -0.179 0.000 2.293 513 C HA 0.714 5.174 4.460 0.001 0.000 0.323 513 C C -0.244 174.621 174.990 -0.208 0.000 1.240 513 C CA -0.845 57.957 59.018 -0.361 0.000 1.497 513 C CB 0.045 27.310 27.740 -0.791 0.000 2.171 513 C HN 0.635 nan 8.230 nan 0.000 0.465 514 L N 3.134 124.217 121.223 -0.234 0.000 2.329 514 L HA 0.872 5.212 4.340 0.001 0.000 0.279 514 L C 0.584 176.989 176.870 -0.775 0.000 1.014 514 L CA 0.190 54.840 54.840 -0.317 0.000 0.814 514 L CB 1.441 43.474 42.059 -0.044 0.000 1.257 514 L HN 0.825 nan 8.230 nan 0.000 0.424 515 G N 0.935 108.931 108.800 -1.340 0.000 2.638 515 G HA2 0.863 4.824 3.960 0.001 0.000 0.302 515 G HA3 0.863 4.824 3.960 0.001 0.000 0.302 515 G C -1.711 172.789 174.900 -0.666 0.000 1.365 515 G CA -0.239 44.023 45.100 -1.396 0.000 0.987 515 G HN 0.834 nan 8.290 nan 0.000 0.495 516 A N 1.441 124.006 122.820 -0.425 0.000 2.594 516 A HA 0.755 5.075 4.320 0.001 0.000 0.291 516 A C -0.071 177.348 177.584 -0.275 0.000 1.105 516 A CA 0.143 52.012 52.037 -0.280 0.000 0.694 516 A CB 1.360 20.241 19.000 -0.199 0.000 1.291 516 A HN 1.436 nan 8.150 nan 0.000 0.410 517 D N -0.762 119.513 120.400 -0.208 0.000 2.800 517 D HA -0.139 4.501 4.640 0.001 0.000 0.232 517 D C -0.526 175.663 176.300 -0.185 0.000 1.137 517 D CA 1.149 55.033 54.000 -0.194 0.000 0.718 517 D CB -1.458 39.191 40.800 -0.253 0.000 1.084 517 D HN 0.545 nan 8.370 nan 0.000 0.432 518 I N 0.745 121.204 120.570 -0.186 0.000 2.371 518 I HA 0.310 4.480 4.170 0.001 0.000 0.290 518 I C 0.883 176.922 176.117 -0.129 0.000 1.028 518 I CA 0.057 61.242 61.300 -0.190 0.000 1.345 518 I CB 1.169 38.969 38.000 -0.334 0.000 1.407 518 I HN 0.244 nan 8.210 nan 0.000 0.501 519 S N 3.493 119.140 115.700 -0.089 0.000 2.643 519 S HA 0.733 5.203 4.470 0.001 0.000 0.270 519 S C -0.689 173.891 174.600 -0.033 0.000 1.166 519 S CA -0.717 57.451 58.200 -0.052 0.000 0.815 519 S CB 2.470 65.645 63.200 -0.041 0.000 1.139 519 S HN 0.564 nan 8.310 nan 0.000 0.472 520 T N -1.213 113.328 114.554 -0.021 0.000 2.792 520 T HA 0.717 5.067 4.350 0.001 0.000 0.303 520 T C -0.013 174.679 174.700 -0.012 0.000 1.310 520 T CA 0.101 62.193 62.100 -0.014 0.000 1.007 520 T CB 1.261 70.120 68.868 -0.015 0.000 1.335 520 T HN 1.491 nan 8.240 nan 0.000 0.504 521 A N 0.583 123.397 122.820 -0.011 0.000 2.390 521 A HA 0.321 4.641 4.320 0.001 0.000 0.232 521 A C 1.989 179.563 177.584 -0.017 0.000 1.233 521 A CA 0.973 53.003 52.037 -0.011 0.000 0.907 521 A CB -0.372 18.624 19.000 -0.007 0.000 0.967 521 A HN 0.954 nan 8.150 nan 0.000 0.512 522 S N -1.486 114.201 115.700 -0.022 0.000 2.461 522 S HA 0.308 4.779 4.470 0.001 0.000 0.228 522 S C 1.637 176.221 174.600 -0.027 0.000 1.005 522 S CA 1.289 59.472 58.200 -0.029 0.000 0.942 522 S CB -0.280 62.898 63.200 -0.037 0.000 0.776 522 S HN 1.799 nan 8.310 nan 0.000 0.514 523 G N 0.762 109.550 108.800 -0.022 0.000 2.176 523 G HA2 -0.104 3.856 3.960 0.001 0.000 0.253 523 G HA3 -0.104 3.856 3.960 0.001 0.000 0.253 523 G C 0.231 175.117 174.900 -0.023 0.000 0.979 523 G CA 0.114 45.202 45.100 -0.020 0.000 0.641 523 G HN 1.287 nan 8.290 nan 0.000 0.530 524 A N -0.101 122.703 122.820 -0.028 0.000 2.269 524 A HA 0.762 5.083 4.320 0.001 0.000 0.319 524 A C 0.560 178.129 177.584 -0.025 0.000 1.110 524 A CA -0.162 51.855 52.037 -0.033 0.000 0.847 524 A CB 0.630 19.604 19.000 -0.044 0.000 1.161 524 A HN 0.377 nan 8.150 nan 0.000 0.497 525 K N -0.094 120.288 120.400 -0.030 0.000 2.380 525 K HA 0.382 4.702 4.320 0.001 0.000 0.267 525 K C -0.847 175.745 176.600 -0.013 0.000 0.990 525 K CA 0.003 56.279 56.287 -0.018 0.000 0.946 525 K CB 0.619 33.095 32.500 -0.040 0.000 0.937 525 K HN 0.351 nan 8.250 nan 0.000 0.491 526 V N 2.325 122.261 119.914 0.037 0.000 2.555 526 V HA 0.253 4.373 4.120 0.001 0.000 0.302 526 V C -0.374 175.809 176.094 0.148 0.000 1.038 526 V CA -0.768 61.577 62.300 0.074 0.000 0.887 526 V CB 1.707 33.583 31.823 0.090 0.000 0.991 526 V HN 0.741 nan 8.190 nan 0.000 0.434 527 E N 1.341 121.590 120.200 0.082 0.000 2.299 527 E HA 0.687 5.038 4.350 0.001 0.000 0.265 527 E C -1.118 175.532 176.600 0.082 0.000 0.911 527 E CA -0.725 55.692 56.400 0.028 0.000 0.789 527 E CB 2.416 32.034 29.700 -0.136 0.000 1.246 527 E HN 0.632 nan 8.360 nan 0.000 0.427 528 T N 1.803 116.359 114.554 0.004 0.000 2.848 528 T HA 0.376 4.726 4.350 0.001 0.000 0.285 528 T C -0.556 174.055 174.700 -0.150 0.000 0.995 528 T CA -0.676 61.386 62.100 -0.063 0.000 0.970 528 T CB 0.579 69.352 68.868 -0.159 0.000 0.976 528 T HN 0.230 nan 8.240 nan 0.000 0.441 529 I N 4.531 125.020 120.570 -0.135 0.000 2.291 529 I HA 0.194 4.364 4.170 0.001 0.000 0.290 529 I C 1.518 177.529 176.117 -0.176 0.000 1.050 529 I CA -0.231 60.994 61.300 -0.125 0.000 1.245 529 I CB 0.601 38.538 38.000 -0.104 0.000 1.405 529 I HN 0.447 nan 8.210 nan 0.000 0.478 530 V N 4.723 124.416 119.914 -0.369 0.000 2.343 530 V HA -0.139 3.981 4.120 0.001 0.000 0.247 530 V C 0.762 176.745 176.094 -0.185 0.000 1.051 530 V CA 1.853 63.807 62.300 -0.577 0.000 1.036 530 V CB -0.359 30.978 31.823 -0.809 0.000 0.654 530 V HN 0.808 nan 8.190 nan 0.000 0.451 531 D N -3.221 117.063 120.400 -0.193 0.000 2.653 531 D HA 0.333 4.973 4.640 0.001 0.000 0.258 531 D C -1.539 174.769 176.300 0.013 0.000 1.252 531 D CA -0.532 53.440 54.000 -0.047 0.000 0.777 531 D CB 1.675 42.413 40.800 -0.103 0.000 1.339 531 D HN 0.193 nan 8.370 nan 0.000 0.422 532 H N 0.857 119.906 119.070 -0.034 0.000 3.177 532 H HA 0.518 5.075 4.556 0.000 0.000 0.314 532 H C -1.462 173.955 175.328 0.149 0.000 1.059 532 H CA -0.464 55.589 56.048 0.008 0.000 1.515 532 H CB 0.649 30.362 29.762 -0.082 0.000 1.672 532 H HN 0.253 nan 8.280 nan 0.000 0.514 533 R N 3.976 124.440 120.500 -0.060 0.000 2.476 533 R HA 0.335 4.675 4.340 0.001 0.000 0.305 533 R C -0.994 175.053 176.300 -0.421 0.000 0.965 533 R CA -0.900 55.080 56.100 -0.200 0.000 0.867 533 R CB 0.687 30.817 30.300 -0.283 0.000 1.176 533 R HN 0.555 nan 8.270 nan 0.000 0.447 534 N N 4.696 123.001 118.700 -0.659 0.000 2.452 534 N HA 0.009 4.749 4.740 0.001 0.000 0.266 534 N C 0.134 175.082 175.510 -0.937 0.000 1.209 534 N CA 0.218 52.550 53.050 -1.197 0.000 0.929 534 N CB 0.670 38.609 38.487 -0.914 0.000 1.063 534 N HN 0.718 nan 8.380 nan 0.000 0.472 535 L N 3.793 124.532 121.223 -0.807 0.000 2.607 535 L HA 0.119 4.459 4.340 0.001 0.000 0.228 535 L C 0.710 177.386 176.870 -0.323 0.000 1.123 535 L CA -0.335 54.244 54.840 -0.436 0.000 0.890 535 L CB -0.532 41.380 42.059 -0.245 0.000 1.103 535 L HN 0.651 nan 8.230 nan 0.000 0.468 536 H N -0.276 118.617 119.070 -0.294 0.000 1.452 536 H HA -0.264 4.293 4.556 0.000 0.000 0.090 536 H C 0.601 175.852 175.328 -0.129 0.000 0.625 536 H CA 1.474 57.414 56.048 -0.179 0.000 1.901 536 H CB -0.993 28.701 29.762 -0.113 0.000 2.257 536 H HN 0.220 nan 8.280 nan 0.000 0.961 537 Q N 2.510 122.352 119.800 0.070 0.000 2.188 537 Q HA 0.322 4.662 4.340 0.001 0.000 0.212 537 Q C 1.013 177.017 176.000 0.008 0.000 0.846 537 Q CA 0.689 56.503 55.803 0.018 0.000 0.989 537 Q CB 0.799 29.553 28.738 0.027 0.000 1.114 537 Q HN 0.514 nan 8.270 nan 0.000 0.488 538 G N 0.945 109.749 108.800 0.008 0.000 2.572 538 G HA2 0.269 4.230 3.960 0.001 0.000 0.261 538 G HA3 0.269 4.230 3.960 0.001 0.000 0.261 538 G C 0.235 175.129 174.900 -0.010 0.000 1.197 538 G CA -0.331 44.773 45.100 0.006 0.000 0.870 538 G HN 0.197 nan 8.290 nan 0.000 0.548 539 S N -0.240 115.461 115.700 0.002 0.000 2.525 539 S HA 0.148 4.618 4.470 0.001 0.000 0.242 539 S C 0.017 174.624 174.600 0.013 0.000 1.164 539 S CA -0.873 57.329 58.200 0.003 0.000 1.154 539 S CB -0.337 62.867 63.200 0.007 0.000 0.875 539 S HN 0.467 nan 8.310 nan 0.000 0.482 540 N N 2.736 121.444 118.700 0.013 0.000 2.359 540 N HA 0.057 4.797 4.740 0.001 0.000 0.261 540 N C -0.153 175.385 175.510 0.046 0.000 1.267 540 N CA 0.686 53.756 53.050 0.034 0.000 0.864 540 N CB 0.229 38.732 38.487 0.027 0.000 1.063 540 N HN 0.267 nan 8.380 nan 0.000 0.474 541 T N 2.747 117.343 114.554 0.070 0.000 2.870 541 T HA 0.192 4.543 4.350 0.001 0.000 0.300 541 T C 0.481 175.250 174.700 0.115 0.000 0.989 541 T CA -0.225 61.923 62.100 0.081 0.000 1.139 541 T CB 0.153 69.076 68.868 0.090 0.000 0.920 541 T HN 0.211 nan 8.240 nan 0.000 0.537 542 L N 4.095 125.371 121.223 0.088 0.000 2.272 542 L HA 0.292 4.632 4.340 0.001 0.000 0.284 542 L C 0.713 177.644 176.870 0.102 0.000 1.045 542 L CA -0.502 54.402 54.840 0.107 0.000 0.842 542 L CB 0.610 42.698 42.059 0.048 0.000 1.224 542 L HN 0.615 nan 8.230 nan 0.000 0.430 543 T N 1.344 116.013 114.554 0.191 0.000 2.889 543 T HA 0.524 4.874 4.350 0.001 0.000 0.291 543 T C 0.377 175.098 174.700 0.035 0.000 0.995 543 T CA -0.466 61.729 62.100 0.159 0.000 1.092 543 T CB 1.316 70.342 68.868 0.263 0.000 0.954 543 T HN 0.683 nan 8.240 nan 0.000 0.506 544 T N -1.153 113.265 114.554 -0.228 0.000 2.864 544 T HA 0.688 5.039 4.350 0.001 0.000 0.289 544 T C 1.601 175.795 174.700 -0.843 0.000 1.082 544 T CA -0.382 61.250 62.100 -0.780 0.000 1.009 544 T CB 1.206 69.775 68.868 -0.497 0.000 1.234 544 T HN 0.405 nan 8.240 nan 0.000 0.526 545 A N 0.626 122.743 122.820 -1.172 0.000 1.927 545 A HA 0.066 4.387 4.320 0.001 0.000 0.220 545 A C 2.444 179.946 177.584 -0.138 0.000 1.185 545 A CA 2.524 54.350 52.037 -0.351 0.000 0.639 545 A CB -1.516 17.327 19.000 -0.262 0.000 0.820 545 A HN 1.382 nan 8.150 nan 0.000 0.451 546 A N -2.854 119.850 122.820 -0.193 0.000 2.030 546 A HA 0.473 4.793 4.320 0.001 0.000 0.215 546 A C 1.640 179.182 177.584 -0.071 0.000 1.164 546 A CA 1.773 53.749 52.037 -0.102 0.000 0.697 546 A CB -0.295 18.639 19.000 -0.110 0.000 0.827 546 A HN 1.533 nan 8.150 nan 0.000 0.457 547 G N -1.763 106.983 108.800 -0.089 0.000 2.229 547 G HA2 0.366 4.326 3.960 0.001 0.000 0.089 547 G HA3 0.366 4.326 3.960 0.001 0.000 0.089 547 G C 0.021 174.895 174.900 -0.044 0.000 0.832 547 G CA 0.717 45.791 45.100 -0.043 0.000 1.234 547 G HN 1.125 nan 8.290 nan 0.000 0.466 548 T N -1.441 113.086 114.554 -0.046 0.000 2.883 548 T HA 0.791 5.142 4.350 0.001 0.000 0.296 548 T C -0.915 173.752 174.700 -0.055 0.000 1.117 548 T CA -0.419 61.661 62.100 -0.034 0.000 1.006 548 T CB 2.429 71.295 68.868 -0.003 0.000 1.191 548 T HN 1.130 nan 8.240 nan 0.000 0.508 549 I N 0.297 120.838 120.570 -0.049 0.000 2.934 549 I HA 0.580 4.750 4.170 0.001 0.000 0.306 549 I C 0.089 176.182 176.117 -0.040 0.000 1.110 549 I CA -0.686 60.577 61.300 -0.062 0.000 1.019 549 I CB 1.832 39.774 38.000 -0.095 0.000 1.227 549 I HN 1.379 nan 8.210 nan 0.000 0.434 550 A N 3.756 126.551 122.820 -0.042 0.000 2.687 550 A HA -0.178 4.143 4.320 0.001 0.000 0.299 550 A C 1.126 178.701 177.584 -0.016 0.000 1.497 550 A CA 0.988 53.008 52.037 -0.029 0.000 0.751 550 A CB -2.373 16.608 19.000 -0.031 0.000 1.048 550 A HN 1.301 nan 8.150 nan 0.000 0.464 551 G N -1.149 107.642 108.800 -0.015 0.000 2.511 551 G HA2 0.299 4.259 3.960 0.001 0.000 0.217 551 G HA3 0.299 4.259 3.960 0.001 0.000 0.217 551 G C 0.639 175.536 174.900 -0.006 0.000 1.133 551 G CA 1.252 46.347 45.100 -0.008 0.000 0.792 551 G HN 0.854 nan 8.290 nan 0.000 0.539 552 T N 1.547 116.096 114.554 -0.008 0.000 2.756 552 T HA 0.605 4.956 4.350 0.001 0.000 0.290 552 T C 0.336 175.033 174.700 -0.005 0.000 0.985 552 T CA -0.299 61.797 62.100 -0.007 0.000 0.955 552 T CB 1.523 70.386 68.868 -0.009 0.000 0.930 552 T HN 0.342 nan 8.240 nan 0.000 0.451 553 A N 2.387 125.205 122.820 -0.002 0.000 2.546 553 A HA 0.498 4.818 4.320 0.001 0.000 0.243 553 A C 1.604 179.187 177.584 -0.002 0.000 1.063 553 A CA 0.541 52.578 52.037 0.000 0.000 0.757 553 A CB -0.749 18.252 19.000 0.002 0.000 0.991 553 A HN 1.579 nan 8.150 nan 0.000 0.503 554 G N 1.857 110.656 108.800 -0.000 0.000 2.195 554 G HA2 -0.189 3.771 3.960 0.001 0.000 0.246 554 G HA3 -0.189 3.771 3.960 0.001 0.000 0.246 554 G C 0.381 175.279 174.900 -0.004 0.000 0.984 554 G CA 0.481 45.578 45.100 -0.005 0.000 0.633 554 G HN 1.290 nan 8.290 nan 0.000 0.525 555 T N 1.323 115.876 114.554 -0.002 0.000 2.874 555 T HA 0.526 4.876 4.350 0.001 0.000 0.321 555 T C 0.170 174.871 174.700 0.002 0.000 1.075 555 T CA 0.100 62.198 62.100 -0.002 0.000 0.966 555 T CB 1.913 70.776 68.868 -0.008 0.000 1.001 555 T HN 0.728 nan 8.240 nan 0.000 0.476 556 V N 4.435 124.359 119.914 0.016 0.000 2.655 556 V HA 0.290 4.410 4.120 0.001 0.000 0.300 556 V C 0.045 176.141 176.094 0.003 0.000 1.044 556 V CA 0.387 62.705 62.300 0.029 0.000 1.095 556 V CB 0.713 32.585 31.823 0.082 0.000 0.952 556 V HN 0.829 nan 8.190 nan 0.000 0.485 557 E N 3.866 124.047 120.200 -0.031 0.000 2.312 557 E HA 0.562 4.913 4.350 0.001 0.000 0.267 557 E C -1.447 175.068 176.600 -0.142 0.000 0.894 557 E CA -0.846 55.512 56.400 -0.070 0.000 0.773 557 E CB 2.509 32.164 29.700 -0.075 0.000 1.241 557 E HN 0.519 nan 8.360 nan 0.000 0.432 558 V N 2.662 122.469 119.914 -0.178 0.000 2.427 558 V HA 0.155 4.275 4.120 0.001 0.000 0.286 558 V C -0.195 175.756 176.094 -0.238 0.000 1.034 558 V CA -0.735 61.386 62.300 -0.297 0.000 0.893 558 V CB 1.277 32.909 31.823 -0.317 0.000 0.982 558 V HN 0.525 nan 8.190 nan 0.000 0.452 559 L N 5.299 126.364 121.223 -0.263 0.000 2.499 559 L HA 0.405 4.746 4.340 0.001 0.000 0.273 559 L C 1.166 177.921 176.870 -0.191 0.000 1.195 559 L CA 1.032 55.741 54.840 -0.218 0.000 0.882 559 L CB 0.504 42.433 42.059 -0.217 0.000 1.133 559 L HN 0.770 nan 8.230 nan 0.000 0.483 560 G N 3.179 111.873 108.800 -0.177 0.000 2.311 560 G HA2 -0.098 3.862 3.960 0.001 0.000 0.274 560 G HA3 -0.098 3.862 3.960 0.001 0.000 0.274 560 G C 0.370 175.186 174.900 -0.140 0.000 1.511 560 G CA 0.572 45.583 45.100 -0.148 0.000 1.041 560 G HN 0.767 nan 8.290 nan 0.000 0.527 561 D N -0.771 119.556 120.400 -0.121 0.000 2.388 561 D HA 0.064 4.704 4.640 0.001 0.000 0.208 561 D C 2.465 178.724 176.300 -0.069 0.000 1.035 561 D CA 0.748 54.699 54.000 -0.081 0.000 0.875 561 D CB -0.144 40.626 40.800 -0.051 0.000 0.984 561 D HN 0.365 nan 8.370 nan 0.000 0.508 562 G N 0.908 109.634 108.800 -0.124 0.000 2.498 562 G HA2 -0.242 3.718 3.960 0.001 0.000 0.219 562 G HA3 -0.242 3.718 3.960 0.001 0.000 0.219 562 G C 0.863 175.758 174.900 -0.007 0.000 1.119 562 G CA 0.348 45.393 45.100 -0.091 0.000 0.766 562 G HN 0.246 nan 8.290 nan 0.000 0.552 563 R N -1.995 118.466 120.500 -0.065 0.000 3.977 563 R HA -0.129 4.212 4.340 0.001 0.000 0.428 563 R C 0.249 176.636 176.300 0.145 0.000 1.079 563 R CA 1.396 57.519 56.100 0.037 0.000 1.269 563 R CB -2.377 27.986 30.300 0.104 0.000 1.856 563 R HN 0.749 nan 8.270 nan 0.000 0.551 564 W N -0.614 120.713 121.300 0.045 0.000 2.864 564 W HA 0.753 5.413 4.660 -0.000 0.000 0.343 564 W C -1.275 175.294 176.519 0.084 0.000 1.109 564 W CA -1.187 56.204 57.345 0.076 0.000 1.192 564 W CB 1.131 30.637 29.460 0.078 0.000 1.426 564 W HN -0.139 nan 8.180 nan 0.000 0.529 565 V N 2.967 123.153 119.914 0.454 0.000 2.808 565 V HA 0.391 4.511 4.120 0.001 0.000 0.308 565 V C -1.282 175.152 176.094 0.566 0.000 1.099 565 V CA -0.452 62.053 62.300 0.341 0.000 0.920 565 V CB 1.951 33.848 31.823 0.125 0.000 1.014 565 V HN 0.815 nan 8.190 nan 0.000 0.425 566 H N 6.545 125.876 119.070 0.435 0.000 2.466 566 H HA 0.548 5.104 4.556 0.001 0.000 0.338 566 H C -1.595 173.888 175.328 0.257 0.000 1.091 566 H CA -0.658 55.580 56.048 0.316 0.000 1.207 566 H CB 2.019 31.943 29.762 0.269 0.000 1.466 566 H HN 0.637 nan 8.280 nan 0.000 0.493 567 L N 5.112 126.225 121.223 -0.184 0.000 2.265 567 L HA 0.252 4.593 4.340 0.001 0.000 0.289 567 L C 0.314 177.084 176.870 -0.167 0.000 1.033 567 L CA -0.342 54.490 54.840 -0.013 0.000 0.814 567 L CB 0.946 43.127 42.059 0.203 0.000 1.203 567 L HN 0.728 nan 8.230 nan 0.000 0.423 568 E N 4.240 124.494 120.200 0.089 0.000 2.529 568 E HA 0.257 4.607 4.350 0.001 0.000 0.259 568 E C 1.039 177.693 176.600 0.090 0.000 0.966 568 E CA 1.086 57.582 56.400 0.160 0.000 0.937 568 E CB 0.240 30.030 29.700 0.152 0.000 0.923 568 E HN 0.999 nan 8.360 nan 0.000 0.468 569 G N 3.477 112.334 108.800 0.096 0.000 2.176 569 G HA2 -0.334 3.626 3.960 0.001 0.000 0.253 569 G HA3 -0.334 3.626 3.960 0.001 0.000 0.253 569 G C 0.196 175.158 174.900 0.103 0.000 0.979 569 G CA 0.396 45.546 45.100 0.084 0.000 0.641 569 G HN 0.608 nan 8.290 nan 0.000 0.530 570 F N 0.492 120.367 119.950 -0.124 0.000 2.423 570 F HA 0.540 5.068 4.527 0.001 0.000 0.269 570 F C 1.409 177.054 175.800 -0.258 0.000 0.880 570 F CA 2.330 60.227 58.000 -0.171 0.000 1.134 570 F CB 0.583 39.476 39.000 -0.179 0.000 1.143 570 F HN 1.041 nan 8.300 nan 0.000 0.802 571 G N -0.255 108.145 108.800 -0.666 0.000 2.334 571 G HA2 0.354 4.315 3.960 0.001 0.000 0.249 571 G HA3 0.354 4.315 3.960 0.001 0.000 0.249 571 G C -0.944 173.564 174.900 -0.653 0.000 1.327 571 G CA -0.323 44.329 45.100 -0.747 0.000 0.979 571 G HN 0.741 nan 8.290 nan 0.000 0.471 572 G N -1.275 107.203 108.800 -0.536 0.000 2.453 572 G HA2 0.754 4.714 3.960 0.001 0.000 0.323 572 G HA3 0.754 4.714 3.960 0.001 0.000 0.323 572 G C -1.628 173.010 174.900 -0.436 0.000 1.198 572 G CA -0.618 44.309 45.100 -0.288 0.000 0.959 572 G HN 0.717 nan 8.290 nan 0.000 0.482 573 Y N -0.428 119.941 120.300 0.115 0.000 2.477 573 Y HA 0.710 5.260 4.550 0.000 0.000 0.347 573 Y C 0.286 176.289 175.900 0.171 0.000 0.981 573 Y CA -0.837 57.337 58.100 0.123 0.000 1.033 573 Y CB 2.759 41.274 38.460 0.091 0.000 1.245 573 Y HN 0.819 nan 8.280 nan 0.000 0.455 574 A N 3.426 126.439 122.820 0.322 0.000 2.520 574 A HA 0.766 5.086 4.320 0.001 0.000 0.298 574 A C -1.259 176.478 177.584 0.254 0.000 1.051 574 A CA -0.954 51.250 52.037 0.279 0.000 0.690 574 A CB 1.266 20.406 19.000 0.232 0.000 1.281 574 A HN 0.604 nan 8.150 nan 0.000 0.402 575 M N 2.542 122.265 119.600 0.206 0.000 2.185 575 M HA 0.269 4.749 4.480 0.001 0.000 0.357 575 M C 0.234 176.630 176.300 0.160 0.000 1.260 575 M CA 0.056 55.466 55.300 0.183 0.000 1.124 575 M CB 0.429 33.094 32.600 0.109 0.000 1.600 575 M HN 0.671 nan 8.290 nan 0.000 0.467 576 L N 1.999 123.320 121.223 0.163 0.000 2.700 576 L HA 0.095 4.435 4.340 0.001 0.000 0.234 576 L C 0.130 177.056 176.870 0.093 0.000 1.156 576 L CA -0.039 54.872 54.840 0.118 0.000 0.946 576 L CB -0.193 41.928 42.059 0.103 0.000 1.216 576 L HN 0.717 nan 8.230 nan 0.000 0.493 577 D N -3.033 117.426 120.400 0.098 0.000 2.812 577 D HA 0.081 4.722 4.640 0.001 0.000 0.318 577 D C -0.232 176.102 176.300 0.057 0.000 1.234 577 D CA -0.509 53.534 54.000 0.071 0.000 0.989 577 D CB 0.429 41.275 40.800 0.076 0.000 1.442 577 D HN -0.083 nan 8.370 nan 0.000 0.537 578 D N -0.995 119.429 120.400 0.039 0.000 2.358 578 D HA 0.119 4.759 4.640 0.001 0.000 0.224 578 D C -0.395 175.908 176.300 0.007 0.000 1.123 578 D CA -0.309 53.702 54.000 0.019 0.000 0.833 578 D CB -0.352 40.455 40.800 0.012 0.000 0.946 578 D HN 0.159 nan 8.370 nan 0.000 0.505 579 S N 1.739 117.451 115.700 0.020 0.000 2.564 579 S HA 0.303 4.773 4.470 0.001 0.000 0.278 579 S C -2.259 172.305 174.600 -0.059 0.000 1.333 579 S CA -0.792 57.409 58.200 0.001 0.000 1.048 579 S CB 0.727 63.949 63.200 0.036 0.000 0.900 579 S HN 0.178 nan 8.310 nan 0.000 0.505 580 P HA 0.202 nan 4.420 nan 0.000 0.267 580 P C -0.948 176.160 177.300 -0.320 0.000 1.205 580 P CA -0.468 62.491 63.100 -0.235 0.000 0.765 580 P CB 0.329 31.862 31.700 -0.277 0.000 0.828 581 L N 5.141 126.144 121.223 -0.366 0.000 2.265 581 L HA 0.327 4.667 4.340 0.001 0.000 0.289 581 L C -0.558 175.969 176.870 -0.573 0.000 1.033 581 L CA -0.483 54.125 54.840 -0.386 0.000 0.814 581 L CB 0.053 41.954 42.059 -0.262 0.000 1.203 581 L HN 0.374 nan 8.230 nan 0.000 0.423 582 H N 3.485 122.214 119.070 -0.568 0.000 2.580 582 H HA 0.583 5.139 4.556 0.001 0.000 0.322 582 H C -0.651 174.329 175.328 -0.580 0.000 1.082 582 H CA -0.342 55.292 56.048 -0.690 0.000 1.383 582 H CB 1.223 30.231 29.762 -1.256 0.000 1.450 582 H HN 0.386 nan 8.280 nan 0.000 0.505 583 V N 4.601 124.369 119.914 -0.243 0.000 2.487 583 V HA 0.245 4.365 4.120 0.001 0.000 0.298 583 V C -0.862 175.203 176.094 -0.049 0.000 1.028 583 V CA -0.779 61.431 62.300 -0.149 0.000 0.860 583 V CB 1.704 33.437 31.823 -0.150 0.000 0.991 583 V HN 0.455 nan 8.190 nan 0.000 0.427 584 L N 5.147 126.378 121.223 0.014 0.000 2.376 584 L HA 0.635 4.975 4.340 0.001 0.000 0.275 584 L C -0.293 176.595 176.870 0.029 0.000 0.987 584 L CA -0.391 54.476 54.840 0.045 0.000 0.828 584 L CB 1.612 43.734 42.059 0.106 0.000 1.249 584 L HN 0.723 nan 8.230 nan 0.000 0.409 585 R N 4.291 124.801 120.500 0.016 0.000 2.254 585 R HA 0.547 4.887 4.340 0.001 0.000 0.318 585 R C -0.991 175.325 176.300 0.026 0.000 1.031 585 R CA -0.203 55.907 56.100 0.017 0.000 0.905 585 R CB 0.736 31.038 30.300 0.004 0.000 1.050 585 R HN 0.867 nan 8.270 nan 0.000 0.456 586 E N 1.922 122.150 120.200 0.047 0.000 2.383 586 E HA 0.336 4.687 4.350 0.001 0.000 0.275 586 E C -1.442 175.198 176.600 0.067 0.000 0.918 586 E CA -1.059 55.366 56.400 0.042 0.000 0.764 586 E CB 2.007 31.721 29.700 0.024 0.000 1.252 586 E HN 0.285 nan 8.360 nan 0.000 0.449 587 T N 1.693 116.271 114.554 0.040 0.000 2.771 587 T HA 0.453 4.804 4.350 0.001 0.000 0.281 587 T C -0.535 174.187 174.700 0.036 0.000 0.982 587 T CA -0.722 61.407 62.100 0.048 0.000 0.978 587 T CB 0.660 69.539 68.868 0.019 0.000 0.930 587 T HN 0.293 nan 8.240 nan 0.000 0.447 588 R N 1.743 122.285 120.500 0.070 0.000 2.740 588 R HA 0.779 5.120 4.340 0.001 0.000 0.282 588 R C -0.741 175.564 176.300 0.008 0.000 0.969 588 R CA -0.840 55.262 56.100 0.002 0.000 0.918 588 R CB 2.002 32.249 30.300 -0.088 0.000 1.175 588 R HN 0.493 nan 8.270 nan 0.000 0.464 589 S N -0.291 115.393 115.700 -0.026 0.000 2.568 589 S HA 0.891 5.361 4.470 0.001 0.000 0.293 589 S C -0.710 173.862 174.600 -0.047 0.000 1.089 589 S CA -0.769 57.416 58.200 -0.024 0.000 0.945 589 S CB 2.332 65.523 63.200 -0.015 0.000 1.077 589 S HN 0.835 nan 8.310 nan 0.000 0.485 590 G N 0.819 109.587 108.800 -0.054 0.000 2.489 590 G HA2 0.528 4.488 3.960 0.001 0.000 0.291 590 G HA3 0.528 4.488 3.960 0.001 0.000 0.291 590 G C -1.256 173.596 174.900 -0.080 0.000 1.487 590 G CA -0.543 44.515 45.100 -0.070 0.000 0.795 590 G HN 0.886 nan 8.290 nan 0.000 0.513 591 S N -1.140 114.527 115.700 -0.056 0.000 2.638 591 S HA 0.490 4.960 4.470 0.001 0.000 0.298 591 S C 0.408 174.998 174.600 -0.016 0.000 1.111 591 S CA -0.720 57.477 58.200 -0.005 0.000 1.027 591 S CB 1.813 65.049 63.200 0.060 0.000 1.064 591 S HN 0.673 nan 8.310 nan 0.000 0.525 592 W N 1.205 122.554 121.300 0.081 0.000 2.392 592 W HA -0.062 4.598 4.660 0.001 0.000 0.279 592 W C 2.797 179.352 176.519 0.059 0.000 1.225 592 W CA 1.189 58.589 57.345 0.091 0.000 1.233 592 W CB -0.375 29.142 29.460 0.095 0.000 1.122 592 W HN 0.934 nan 8.180 nan 0.000 0.561 593 S N -0.668 115.172 115.700 0.234 0.000 2.442 593 S HA -0.088 4.383 4.470 0.001 0.000 0.236 593 S C 1.954 176.602 174.600 0.079 0.000 1.007 593 S CA 1.203 59.484 58.200 0.136 0.000 0.965 593 S CB -0.979 62.278 63.200 0.094 0.000 0.773 593 S HN 0.259 nan 8.310 nan 0.000 0.504 594 G N 0.937 109.768 108.800 0.051 0.000 2.650 594 G HA2 0.126 4.087 3.960 0.001 0.000 0.214 594 G HA3 0.126 4.087 3.960 0.001 0.000 0.214 594 G C 1.191 176.075 174.900 -0.027 0.000 1.136 594 G CA 0.733 45.832 45.100 -0.003 0.000 0.789 594 G HN 0.966 nan 8.290 nan 0.000 0.536 595 V N -3.733 116.197 119.914 0.026 0.000 3.432 595 V HA 0.410 4.530 4.120 0.001 0.000 0.298 595 V C -0.053 176.086 176.094 0.076 0.000 1.464 595 V CA -0.403 61.901 62.300 0.007 0.000 1.046 595 V CB 0.188 32.041 31.823 0.050 0.000 0.887 595 V HN 0.145 nan 8.190 nan 0.000 0.441 596 N N 0.102 118.871 118.700 0.115 0.000 2.455 596 N HA 0.301 5.042 4.740 0.001 0.000 0.285 596 N C -0.003 175.552 175.510 0.075 0.000 1.080 596 N CA -0.392 52.718 53.050 0.100 0.000 0.932 596 N CB 2.502 41.084 38.487 0.158 0.000 1.610 596 N HN 0.061 nan 8.380 nan 0.000 0.493 597 I N 3.167 123.761 120.570 0.040 0.000 2.530 597 I HA -0.110 4.060 4.170 0.001 0.000 0.257 597 I C 1.089 177.228 176.117 0.037 0.000 1.179 597 I CA 1.527 62.846 61.300 0.033 0.000 1.440 597 I CB -0.073 37.939 38.000 0.020 0.000 1.087 597 I HN 0.489 nan 8.210 nan 0.000 0.440 598 N N 0.486 119.208 118.700 0.037 0.000 2.280 598 N HA 0.132 4.872 4.740 0.001 0.000 0.192 598 N C 0.908 176.443 175.510 0.042 0.000 1.109 598 N CA 0.578 53.643 53.050 0.025 0.000 0.855 598 N CB 0.023 38.508 38.487 -0.002 0.000 0.974 598 N HN 0.382 nan 8.380 nan 0.000 0.482 599 G N 1.030 109.886 108.800 0.093 0.000 2.527 599 G HA2 0.215 4.176 3.960 0.001 0.000 0.248 599 G HA3 0.215 4.176 3.960 0.001 0.000 0.248 599 G C 0.399 175.384 174.900 0.141 0.000 1.231 599 G CA -0.305 44.890 45.100 0.158 0.000 0.838 599 G HN 0.177 nan 8.290 nan 0.000 0.570 600 S N 0.238 116.030 115.700 0.153 0.000 2.584 600 S HA 0.379 4.849 4.470 0.001 0.000 0.270 600 S C 1.404 176.095 174.600 0.151 0.000 1.346 600 S CA 0.102 58.378 58.200 0.128 0.000 1.018 600 S CB 1.585 64.854 63.200 0.117 0.000 0.899 600 S HN 1.254 nan 8.310 nan 0.000 0.542 601 A N 1.446 124.327 122.820 0.102 0.000 2.169 601 A HA 0.225 4.546 4.320 0.001 0.000 0.212 601 A C 1.134 178.769 177.584 0.085 0.000 1.153 601 A CA 0.122 52.209 52.037 0.084 0.000 0.756 601 A CB -1.036 17.997 19.000 0.057 0.000 0.813 601 A HN 0.844 nan 8.150 nan 0.000 0.471 602 T N 1.044 115.659 114.554 0.102 0.000 2.905 602 T HA 0.241 4.591 4.350 0.001 0.000 0.299 602 T C 0.071 174.830 174.700 0.098 0.000 1.024 602 T CA 0.241 62.401 62.100 0.099 0.000 1.151 602 T CB 0.666 69.604 68.868 0.118 0.000 0.987 602 T HN 0.039 nan 8.240 nan 0.000 0.535 603 V N 5.546 125.500 119.914 0.066 0.000 2.432 603 V HA 0.185 4.305 4.120 0.001 0.000 0.271 603 V C 0.301 176.424 176.094 0.049 0.000 1.046 603 V CA -0.531 61.795 62.300 0.044 0.000 0.945 603 V CB 1.123 32.962 31.823 0.026 0.000 0.992 603 V HN 0.742 nan 8.190 nan 0.000 0.471 604 Q N 4.265 124.085 119.800 0.034 0.000 2.245 604 Q HA 0.480 4.820 4.340 0.001 0.000 0.256 604 Q C -0.579 175.431 176.000 0.016 0.000 0.942 604 Q CA -0.332 55.495 55.803 0.041 0.000 0.896 604 Q CB 2.393 31.155 28.738 0.039 0.000 1.272 604 Q HN 0.775 nan 8.270 nan 0.000 0.442 605 Q N 2.177 121.993 119.800 0.026 0.000 2.337 605 Q HA 0.481 4.822 4.340 0.001 0.000 0.270 605 Q C -1.125 174.885 176.000 0.017 0.000 1.043 605 Q CA -0.594 55.221 55.803 0.020 0.000 0.794 605 Q CB 1.328 30.076 28.738 0.018 0.000 1.281 605 Q HN 0.387 nan 8.270 nan 0.000 0.446 606 R N 2.513 123.027 120.500 0.024 0.000 2.698 606 R HA 0.476 4.816 4.340 0.001 0.000 0.275 606 R C -1.136 175.143 176.300 -0.036 0.000 1.001 606 R CA -0.961 55.109 56.100 -0.051 0.000 0.896 606 R CB 1.528 31.748 30.300 -0.133 0.000 1.218 606 R HN 0.692 nan 8.270 nan 0.000 0.462 607 N N 1.248 119.847 118.700 -0.169 0.000 2.498 607 N HA 0.457 5.197 4.740 0.001 0.000 0.287 607 N C -0.839 174.469 175.510 -0.338 0.000 1.097 607 N CA 0.131 53.106 53.050 -0.124 0.000 0.973 607 N CB 0.656 39.076 38.487 -0.112 0.000 1.153 607 N HN 0.258 nan 8.380 nan 0.000 0.472 608 F N -0.025 119.815 119.950 -0.182 0.000 2.588 608 F HA 0.629 5.157 4.527 0.000 0.000 0.314 608 F C 0.101 175.805 175.800 -0.160 0.000 1.069 608 F CA -1.125 56.726 58.000 -0.248 0.000 0.931 608 F CB 1.552 40.344 39.000 -0.345 0.000 1.260 608 F HN 0.359 nan 8.300 nan 0.000 0.465 609 A N 1.173 123.996 122.820 0.005 0.000 2.288 609 A HA 0.754 5.075 4.320 0.001 0.000 0.320 609 A C -0.813 176.791 177.584 0.033 0.000 1.217 609 A CA -0.411 51.625 52.037 -0.002 0.000 0.840 609 A CB 0.507 19.477 19.000 -0.051 0.000 1.179 609 A HN 0.668 nan 8.150 nan 0.000 0.504 610 T N 3.334 117.921 114.554 0.056 0.000 2.847 610 T HA 0.545 4.895 4.350 0.001 0.000 0.291 610 T C -0.915 173.812 174.700 0.045 0.000 0.998 610 T CA -0.108 62.053 62.100 0.102 0.000 0.967 610 T CB 0.453 69.413 68.868 0.153 0.000 0.954 610 T HN 0.383 nan 8.240 nan 0.000 0.441 611 L N 4.882 126.071 121.223 -0.057 0.000 2.356 611 L HA 0.723 5.063 4.340 0.001 0.000 0.277 611 L C -0.706 176.101 176.870 -0.105 0.000 0.996 611 L CA -0.834 53.897 54.840 -0.181 0.000 0.822 611 L CB 0.929 42.717 42.059 -0.450 0.000 1.256 611 L HN 0.746 nan 8.230 nan 0.000 0.413 612 Y N 1.238 121.406 120.300 -0.219 0.000 2.609 612 Y HA 0.836 5.386 4.550 0.001 0.000 0.336 612 Y C -0.861 174.947 175.900 -0.152 0.000 1.129 612 Y CA -1.821 56.142 58.100 -0.230 0.000 1.040 612 Y CB 1.209 39.541 38.460 -0.213 0.000 1.310 612 Y HN 0.312 nan 8.280 nan 0.000 0.460 613 V N 0.537 120.385 119.914 -0.111 0.000 2.547 613 V HA 0.601 4.722 4.120 0.001 0.000 0.299 613 V C -0.853 175.147 176.094 -0.157 0.000 1.040 613 V CA -0.684 61.522 62.300 -0.156 0.000 0.913 613 V CB 1.631 33.314 31.823 -0.233 0.000 0.992 613 V HN 0.875 nan 8.190 nan 0.000 0.449 614 N N 2.041 120.667 118.700 -0.124 0.000 2.444 614 N HA 0.369 5.109 4.740 0.001 0.000 0.262 614 N C 0.475 175.879 175.510 -0.176 0.000 0.974 614 N CA -0.451 52.517 53.050 -0.138 0.000 0.933 614 N CB 0.796 39.191 38.487 -0.153 0.000 1.137 614 N HN 0.811 nan 8.380 nan 0.000 0.498 615 H N 2.504 121.601 119.070 0.046 0.000 2.551 615 H HA 0.192 4.748 4.556 0.001 0.000 0.266 615 H C 1.198 176.540 175.328 0.022 0.000 0.977 615 H CA 0.743 56.817 56.048 0.044 0.000 1.163 615 H CB 0.062 29.852 29.762 0.048 0.000 1.381 615 H HN 0.789 nan 8.280 nan 0.000 0.581 616 G N 0.602 109.453 108.800 0.085 0.000 2.741 616 G HA2 -0.268 3.693 3.960 0.001 0.000 0.222 616 G HA3 -0.268 3.693 3.960 0.001 0.000 0.222 616 G C -0.370 174.552 174.900 0.037 0.000 1.364 616 G CA -0.214 44.912 45.100 0.042 0.000 0.866 616 G HN 0.199 nan 8.290 nan 0.000 0.555 617 V N 1.311 121.234 119.914 0.016 0.000 2.649 617 V HA 0.531 4.651 4.120 0.001 0.000 0.292 617 V C 1.786 177.887 176.094 0.012 0.000 1.055 617 V CA 1.509 63.813 62.300 0.007 0.000 1.023 617 V CB 0.751 32.571 31.823 -0.004 0.000 0.992 617 V HN 2.751 nan 8.190 nan 0.000 0.480 618 G N 4.994 113.797 108.800 0.006 0.000 2.338 618 G HA2 -0.161 3.799 3.960 0.001 0.000 0.296 618 G HA3 -0.161 3.799 3.960 0.001 0.000 0.296 618 G C -1.382 173.523 174.900 0.008 0.000 1.040 618 G CA -0.197 44.906 45.100 0.003 0.000 1.004 618 G HN 0.664 nan 8.290 nan 0.000 0.509 619 P HA 0.369 nan 4.420 nan 0.000 0.268 619 P C -0.092 177.204 177.300 -0.005 0.000 1.205 619 P CA -0.032 63.079 63.100 0.018 0.000 0.771 619 P CB 1.558 33.273 31.700 0.025 0.000 0.858 620 V N 2.634 122.545 119.914 -0.004 0.000 2.350 620 V HA 0.431 4.552 4.120 0.001 0.000 0.285 620 V C 0.690 176.770 176.094 -0.024 0.000 1.014 620 V CA -0.194 62.097 62.300 -0.015 0.000 0.831 620 V CB 0.524 32.342 31.823 -0.008 0.000 1.000 620 V HN 0.870 nan 8.190 nan 0.000 0.433 621 A N 3.719 126.512 122.820 -0.045 0.000 2.560 621 A HA -0.119 4.201 4.320 0.001 0.000 0.299 621 A C 1.043 178.591 177.584 -0.059 0.000 1.484 621 A CA 0.674 52.673 52.037 -0.063 0.000 0.749 621 A CB -1.471 17.500 19.000 -0.049 0.000 1.072 621 A HN 1.655 nan 8.150 nan 0.000 0.426 622 G N -0.338 108.419 108.800 -0.072 0.000 2.630 622 G HA2 0.585 4.545 3.960 0.001 0.000 0.236 622 G HA3 0.585 4.545 3.960 0.001 0.000 0.236 622 G C 0.325 175.165 174.900 -0.101 0.000 1.248 622 G CA 0.812 45.878 45.100 -0.057 0.000 0.844 622 G HN 2.292 nan 8.290 nan 0.000 0.588 623 S N -0.535 115.181 115.700 0.026 0.000 2.596 623 S HA 0.779 5.250 4.470 0.001 0.000 0.270 623 S C -1.078 173.668 174.600 0.243 0.000 1.155 623 S CA -0.849 57.348 58.200 -0.005 0.000 0.827 623 S CB 1.813 64.988 63.200 -0.042 0.000 1.130 623 S HN 1.647 nan 8.310 nan 0.000 0.467 624 Y N -1.720 118.676 120.300 0.160 0.000 2.625 624 Y HA 0.925 5.476 4.550 0.000 0.000 0.338 624 Y C -1.072 174.910 175.900 0.137 0.000 1.123 624 Y CA -1.086 57.137 58.100 0.204 0.000 1.046 624 Y CB 1.124 39.774 38.460 0.317 0.000 1.299 624 Y HN 1.317 nan 8.280 nan 0.000 0.464 625 A N 2.195 125.255 122.820 0.400 0.000 2.485 625 A HA 0.698 5.018 4.320 0.001 0.000 0.285 625 A C -2.007 175.786 177.584 0.350 0.000 1.045 625 A CA -0.565 51.623 52.037 0.253 0.000 0.792 625 A CB 0.227 19.288 19.000 0.101 0.000 1.307 625 A HN 1.465 nan 8.150 nan 0.000 0.406 626 Y N -0.280 120.156 120.300 0.226 0.000 2.705 626 Y HA 0.852 5.402 4.550 0.000 0.000 0.332 626 Y C -0.859 175.135 175.900 0.157 0.000 1.221 626 Y CA -1.306 56.896 58.100 0.170 0.000 1.059 626 Y CB 1.203 39.757 38.460 0.156 0.000 1.298 626 Y HN 0.937 nan 8.280 nan 0.000 0.459 627 M N 1.191 120.951 119.600 0.266 0.000 2.593 627 M HA 0.896 5.376 4.480 0.001 0.000 0.290 627 M C -2.208 174.222 176.300 0.217 0.000 1.244 627 M CA -1.093 54.271 55.300 0.108 0.000 0.857 627 M CB 2.665 35.218 32.600 -0.079 0.000 1.738 627 M HN 0.458 nan 8.290 nan 0.000 0.461 628 V N 1.484 121.443 119.914 0.074 0.000 2.588 628 V HA 0.848 4.968 4.120 0.001 0.000 0.304 628 V C -0.449 175.439 176.094 -0.344 0.000 1.042 628 V CA -0.589 61.646 62.300 -0.108 0.000 0.877 628 V CB 1.629 33.345 31.823 -0.179 0.000 0.996 628 V HN 0.996 nan 8.190 nan 0.000 0.425 629 A N 6.175 128.715 122.820 -0.465 0.000 2.842 629 A HA 0.741 5.061 4.320 0.001 0.000 0.339 629 A C -2.684 174.487 177.584 -0.688 0.000 1.177 629 A CA -1.534 50.217 52.037 -0.476 0.000 0.797 629 A CB 0.427 19.252 19.000 -0.292 0.000 1.094 629 A HN 0.571 nan 8.150 nan 0.000 0.474 630 P HA 0.242 nan 4.420 nan 0.000 0.268 630 P C 1.134 178.062 177.300 -0.621 0.000 1.204 630 P CA 1.807 64.249 63.100 -1.097 0.000 0.768 630 P CB 0.963 32.145 31.700 -0.863 0.000 0.842 631 G N 1.734 110.187 108.800 -0.577 0.000 2.205 631 G HA2 -0.228 3.732 3.960 0.001 0.000 0.261 631 G HA3 -0.228 3.732 3.960 0.001 0.000 0.261 631 G C 0.433 175.241 174.900 -0.154 0.000 0.980 631 G CA 0.136 45.095 45.100 -0.236 0.000 0.632 631 G HN 0.887 nan 8.290 nan 0.000 0.533 632 A N 0.608 123.301 122.820 -0.212 0.000 2.477 632 A HA 0.670 4.990 4.320 0.001 0.000 0.246 632 A C 1.135 178.733 177.584 0.023 0.000 1.078 632 A CA 1.027 53.006 52.037 -0.097 0.000 0.770 632 A CB 0.278 19.202 19.000 -0.126 0.000 1.011 632 A HN 2.025 nan 8.150 nan 0.000 0.494 633 S N 1.782 117.476 115.700 -0.011 0.000 2.596 633 S HA 0.195 4.665 4.470 0.001 0.000 0.260 633 S C 1.219 175.692 174.600 -0.212 0.000 1.336 633 S CA -0.091 58.070 58.200 -0.065 0.000 0.993 633 S CB 0.603 63.749 63.200 -0.090 0.000 0.923 633 S HN 0.793 nan 8.310 nan 0.000 0.567 634 V N 1.118 120.724 119.914 -0.513 0.000 2.324 634 V HA -0.205 3.915 4.120 0.001 0.000 0.250 634 V C 2.508 178.380 176.094 -0.370 0.000 1.060 634 V CA 2.604 64.608 62.300 -0.493 0.000 1.042 634 V CB -1.263 30.324 31.823 -0.393 0.000 0.650 634 V HN 1.045 nan 8.190 nan 0.000 0.450 635 D N -0.578 119.669 120.400 -0.254 0.000 2.117 635 D HA -0.157 4.483 4.640 0.001 0.000 0.198 635 D C 1.907 178.066 176.300 -0.235 0.000 0.982 635 D CA 1.053 54.921 54.000 -0.219 0.000 0.828 635 D CB -0.117 40.603 40.800 -0.132 0.000 0.967 635 D HN 0.277 nan 8.370 nan 0.000 0.464 636 L N 0.062 121.176 121.223 -0.182 0.000 2.093 636 L HA -0.057 4.283 4.340 0.001 0.000 0.208 636 L C 2.286 179.042 176.870 -0.190 0.000 1.085 636 L CA 1.583 56.340 54.840 -0.138 0.000 0.755 636 L CB -0.828 41.183 42.059 -0.080 0.000 0.904 636 L HN 0.034 nan 8.230 nan 0.000 0.435 637 T N -0.845 113.556 114.554 -0.254 0.000 2.708 637 T HA -0.239 4.111 4.350 0.001 0.000 0.266 637 T C 1.993 176.303 174.700 -0.650 0.000 1.037 637 T CA 1.551 63.469 62.100 -0.304 0.000 1.146 637 T CB -0.273 68.496 68.868 -0.166 0.000 0.865 637 T HN 0.306 nan 8.240 nan 0.000 0.435 638 R N 1.184 121.034 120.500 -1.084 0.000 2.139 638 R HA -0.096 4.244 4.340 0.001 0.000 0.243 638 R C 1.805 177.787 176.300 -0.529 0.000 1.145 638 R CA 1.433 56.759 56.100 -1.290 0.000 0.976 638 R CB -0.032 29.760 30.300 -0.846 0.000 0.866 638 R HN 0.318 nan 8.270 nan 0.000 0.449 639 K N 0.013 120.225 120.400 -0.313 0.000 2.426 639 K HA 0.068 4.388 4.320 0.001 0.000 0.193 639 K C 1.771 178.349 176.600 -0.037 0.000 1.028 639 K CA 0.095 56.303 56.287 -0.131 0.000 1.047 639 K CB 0.228 32.673 32.500 -0.091 0.000 0.821 639 K HN 0.164 nan 8.250 nan 0.000 0.513 640 L N 0.664 121.872 121.223 -0.024 0.000 2.079 640 L HA -0.193 4.147 4.340 0.001 0.000 0.210 640 L C 1.720 178.717 176.870 0.212 0.000 1.081 640 L CA 1.337 56.268 54.840 0.151 0.000 0.752 640 L CB -0.329 41.792 42.059 0.102 0.000 0.896 640 L HN 0.205 nan 8.230 nan 0.000 0.433 641 L N -1.044 120.256 121.223 0.128 0.000 2.611 641 L HA 0.091 4.431 4.340 0.001 0.000 0.229 641 L C 0.312 177.229 176.870 0.078 0.000 1.137 641 L CA -0.192 54.728 54.840 0.133 0.000 0.901 641 L CB -0.150 41.997 42.059 0.148 0.000 1.098 641 L HN 0.125 nan 8.230 nan 0.000 0.456 642 E N 0.421 120.648 120.200 0.045 0.000 2.231 642 E HA 0.395 4.746 4.350 0.001 0.000 0.277 642 E C 0.887 177.477 176.600 -0.016 0.000 0.999 642 E CA 0.098 56.507 56.400 0.014 0.000 0.827 642 E CB 1.514 31.216 29.700 0.004 0.000 1.101 642 E HN 0.167 nan 8.360 nan 0.000 0.393 643 G N 2.984 111.771 108.800 -0.021 0.000 2.143 643 G HA2 -0.398 3.562 3.960 0.001 0.000 0.248 643 G HA3 -0.398 3.562 3.960 0.001 0.000 0.248 643 G C 0.524 175.382 174.900 -0.071 0.000 0.991 643 G CA 0.475 45.550 45.100 -0.043 0.000 0.689 643 G HN 0.666 nan 8.290 nan 0.000 0.522 644 N N -0.829 117.834 118.700 -0.063 0.000 2.725 644 N HA -0.187 4.553 4.740 0.001 0.000 0.251 644 N C 1.426 176.828 175.510 -0.179 0.000 1.031 644 N CA 1.926 54.925 53.050 -0.085 0.000 0.720 644 N CB -0.876 37.574 38.487 -0.063 0.000 0.930 644 N HN 0.806 nan 8.380 nan 0.000 0.543 645 K N -0.886 119.338 120.400 -0.294 0.000 2.148 645 K HA -0.111 4.209 4.320 0.001 0.000 0.204 645 K C -0.120 175.966 176.600 -0.857 0.000 1.050 645 K CA 1.252 57.167 56.287 -0.620 0.000 0.942 645 K CB 0.022 31.968 32.500 -0.924 0.000 0.724 645 K HN 0.483 nan 8.250 nan 0.000 0.446 646 Y N -0.008 120.242 120.300 -0.084 0.000 2.686 646 Y HA 0.197 4.747 4.550 0.000 0.000 0.331 646 Y C -0.363 175.422 175.900 -0.193 0.000 0.996 646 Y CA -0.796 57.180 58.100 -0.207 0.000 1.293 646 Y CB 1.666 40.038 38.460 -0.147 0.000 1.092 646 Y HN -0.226 nan 8.280 nan 0.000 0.524 647 S N 3.162 118.758 115.700 -0.173 0.000 2.415 647 S HA 0.413 4.884 4.470 0.001 0.000 0.313 647 S C -0.250 174.260 174.600 -0.150 0.000 1.067 647 S CA -0.544 57.577 58.200 -0.130 0.000 1.099 647 S CB -0.167 62.955 63.200 -0.129 0.000 0.991 647 S HN 0.394 nan 8.310 nan 0.000 0.491 648 V N 7.687 127.538 119.914 -0.105 0.000 2.585 648 V HA 0.137 4.257 4.120 0.001 0.000 0.296 648 V C 1.181 177.213 176.094 -0.103 0.000 1.035 648 V CA 0.454 62.684 62.300 -0.118 0.000 1.084 648 V CB 0.707 32.489 31.823 -0.068 0.000 0.953 648 V HN 0.905 nan 8.190 nan 0.000 0.483 649 I N 3.303 123.796 120.570 -0.128 0.000 2.729 649 I HA 0.251 4.421 4.170 0.001 0.000 0.256 649 I C 1.090 177.166 176.117 -0.068 0.000 1.115 649 I CA 0.489 61.735 61.300 -0.090 0.000 1.446 649 I CB 0.273 38.214 38.000 -0.098 0.000 1.176 649 I HN 0.563 nan 8.210 nan 0.000 0.446 650 R N 0.853 121.299 120.500 -0.090 0.000 2.594 650 R HA 0.319 4.659 4.340 0.001 0.000 0.265 650 R C -1.727 174.533 176.300 -0.067 0.000 1.070 650 R CA -0.495 55.567 56.100 -0.064 0.000 0.909 650 R CB 1.481 31.747 30.300 -0.056 0.000 1.243 650 R HN -0.044 nan 8.270 nan 0.000 0.455 651 N N 2.593 121.267 118.700 -0.043 0.000 2.710 651 N HA 0.197 4.938 4.740 0.001 0.000 0.244 651 N C -2.092 173.396 175.510 -0.038 0.000 1.321 651 N CA -0.393 52.633 53.050 -0.041 0.000 0.758 651 N CB 0.830 39.281 38.487 -0.060 0.000 1.284 651 N HN 0.745 nan 8.380 nan 0.000 0.530 652 D N 0.026 120.420 120.400 -0.010 0.000 2.921 652 D HA 0.376 5.017 4.640 0.001 0.000 0.329 652 D C 0.447 176.749 176.300 0.003 0.000 1.293 652 D CA -0.364 53.625 54.000 -0.020 0.000 0.964 652 D CB 0.109 40.905 40.800 -0.007 0.000 1.435 652 D HN 0.061 nan 8.370 nan 0.000 0.548 653 A N -0.813 121.995 122.820 -0.020 0.000 2.172 653 A HA 0.053 4.373 4.320 0.001 0.000 0.216 653 A C 1.722 179.376 177.584 0.115 0.000 1.154 653 A CA 1.873 53.886 52.037 -0.040 0.000 0.701 653 A CB -0.909 18.053 19.000 -0.063 0.000 0.789 653 A HN 0.541 nan 8.150 nan 0.000 0.465 654 T N -0.604 114.043 114.554 0.155 0.000 2.901 654 T HA 0.477 4.828 4.350 0.001 0.000 0.252 654 T C 0.734 175.595 174.700 0.268 0.000 1.035 654 T CA 1.211 63.444 62.100 0.221 0.000 1.142 654 T CB -0.007 68.952 68.868 0.151 0.000 0.869 654 T HN 0.739 nan 8.240 nan 0.000 0.442 655 A N 0.306 123.218 122.820 0.154 0.000 2.608 655 A HA 0.711 5.031 4.320 0.001 0.000 0.292 655 A C -1.904 175.659 177.584 -0.034 0.000 1.066 655 A CA -0.821 51.159 52.037 -0.095 0.000 0.676 655 A CB 1.287 19.997 19.000 -0.483 0.000 1.277 655 A HN 0.226 nan 8.150 nan 0.000 0.413 656 Q N 0.207 119.961 119.800 -0.077 0.000 2.323 656 Q HA 0.710 5.051 4.340 0.001 0.000 0.271 656 Q C -1.033 174.888 176.000 -0.131 0.000 1.048 656 Q CA -0.561 55.252 55.803 0.017 0.000 0.792 656 Q CB 2.313 31.197 28.738 0.244 0.000 1.280 656 Q HN 0.803 nan 8.270 nan 0.000 0.441 657 S N 1.306 116.823 115.700 -0.304 0.000 2.537 657 S HA 0.743 5.213 4.470 0.001 0.000 0.271 657 S C -1.656 172.608 174.600 -0.560 0.000 1.148 657 S CA -0.599 57.271 58.200 -0.551 0.000 0.868 657 S CB 1.660 64.666 63.200 -0.323 0.000 1.115 657 S HN 0.553 nan 8.310 nan 0.000 0.461 658 V N 1.368 120.842 119.914 -0.734 0.000 2.841 658 V HA 0.780 4.900 4.120 0.001 0.000 0.310 658 V C -0.797 175.011 176.094 -0.477 0.000 1.090 658 V CA -0.737 61.229 62.300 -0.557 0.000 0.930 658 V CB 1.704 33.152 31.823 -0.624 0.000 1.014 658 V HN 0.973 nan 8.190 nan 0.000 0.425 659 E N 2.921 122.898 120.200 -0.372 0.000 2.175 659 E HA 0.525 4.875 4.350 0.001 0.000 0.278 659 E C -1.617 174.784 176.600 -0.331 0.000 0.969 659 E CA -0.805 55.429 56.400 -0.277 0.000 0.796 659 E CB 1.365 30.963 29.700 -0.170 0.000 1.104 659 E HN 0.685 nan 8.360 nan 0.000 0.395 660 F N 4.616 124.523 119.950 -0.072 0.000 2.375 660 F HA 0.195 4.722 4.527 0.000 0.000 0.362 660 F C 1.524 177.270 175.800 -0.090 0.000 1.129 660 F CA -0.273 57.707 58.000 -0.033 0.000 1.154 660 F CB 1.056 40.085 39.000 0.049 0.000 1.205 660 F HN 0.565 nan 8.300 nan 0.000 0.513 661 K N 1.340 121.717 120.400 -0.038 0.000 2.002 661 K HA -0.147 4.173 4.320 0.001 0.000 0.209 661 K C 1.730 178.321 176.600 -0.014 0.000 1.048 661 K CA 1.925 58.176 56.287 -0.059 0.000 0.930 661 K CB -0.030 32.394 32.500 -0.126 0.000 0.714 661 K HN 0.641 nan 8.250 nan 0.000 0.438 662 T N 0.580 115.131 114.554 -0.005 0.000 2.708 662 T HA -0.107 4.243 4.350 0.001 0.000 0.266 662 T C 1.732 176.459 174.700 0.045 0.000 1.037 662 T CA 1.427 63.538 62.100 0.019 0.000 1.146 662 T CB -0.268 68.617 68.868 0.028 0.000 0.865 662 T HN 0.417 nan 8.240 nan 0.000 0.435 663 A N 0.745 123.615 122.820 0.082 0.000 2.235 663 A HA 0.111 4.431 4.320 0.001 0.000 0.208 663 A C 0.905 178.509 177.584 0.032 0.000 1.172 663 A CA 0.360 52.435 52.037 0.063 0.000 0.786 663 A CB -0.517 18.513 19.000 0.050 0.000 0.804 663 A HN 0.566 nan 8.150 nan 0.000 0.479 664 K N 0.065 120.475 120.400 0.017 0.000 3.177 664 K HA -0.154 4.166 4.320 0.001 0.000 0.266 664 K C -0.777 175.782 176.600 -0.068 0.000 0.937 664 K CA 1.100 57.367 56.287 -0.033 0.000 0.702 664 K CB -2.084 30.374 32.500 -0.070 0.000 1.365 664 K HN 0.472 nan 8.250 nan 0.000 0.466 665 T N 0.104 114.643 114.554 -0.026 0.000 2.916 665 T HA 0.320 4.670 4.350 0.001 0.000 0.298 665 T C -0.388 174.243 174.700 -0.116 0.000 1.031 665 T CA -0.579 61.468 62.100 -0.087 0.000 0.993 665 T CB 2.159 71.026 68.868 -0.002 0.000 1.045 665 T HN 0.018 nan 8.240 nan 0.000 0.454 666 T N 2.312 116.590 114.554 -0.461 0.000 2.856 666 T HA 0.796 5.146 4.350 0.001 0.000 0.283 666 T C -0.599 173.864 174.700 -0.394 0.000 1.008 666 T CA -0.587 61.194 62.100 -0.532 0.000 0.997 666 T CB 1.506 69.772 68.868 -1.003 0.000 0.992 666 T HN 0.806 nan 8.240 nan 0.000 0.454 667 A N 1.674 124.364 122.820 -0.216 0.000 2.401 667 A HA 0.992 5.312 4.320 0.001 0.000 0.310 667 A C -0.883 176.568 177.584 -0.221 0.000 1.075 667 A CA -0.811 51.188 52.037 -0.064 0.000 0.746 667 A CB 1.465 20.600 19.000 0.225 0.000 1.277 667 A HN 1.184 nan 8.150 nan 0.000 0.425 668 A N 0.584 123.446 122.820 0.070 0.000 2.574 668 A HA 0.871 5.192 4.320 0.001 0.000 0.297 668 A C -0.405 177.300 177.584 0.201 0.000 1.062 668 A CA 0.057 52.098 52.037 0.007 0.000 0.686 668 A CB 1.237 20.214 19.000 -0.040 0.000 1.285 668 A HN 1.881 nan 8.150 nan 0.000 0.403 669 T N -1.137 113.459 114.554 0.070 0.000 2.863 669 T HA 0.784 5.135 4.350 0.001 0.000 0.285 669 T C -0.976 173.470 174.700 -0.423 0.000 1.009 669 T CA -0.404 61.691 62.100 -0.007 0.000 0.989 669 T CB 0.889 69.783 68.868 0.043 0.000 1.004 669 T HN 0.382 nan 8.240 nan 0.000 0.455 670 F N 1.266 121.104 119.950 -0.186 0.000 2.493 670 F HA 0.503 5.030 4.527 0.001 0.000 0.329 670 F C 0.090 175.799 175.800 -0.151 0.000 1.126 670 F CA -1.119 56.795 58.000 -0.144 0.000 0.937 670 F CB 1.613 40.585 39.000 -0.047 0.000 1.146 670 F HN 0.719 nan 8.300 nan 0.000 0.442 671 W N 1.165 122.712 121.300 0.412 0.000 2.683 671 W HA 0.274 4.934 4.660 0.000 0.000 0.267 671 W C 0.164 176.844 176.519 0.270 0.000 1.243 671 W CA -0.028 57.527 57.345 0.349 0.000 1.380 671 W CB 0.440 29.959 29.460 0.099 0.000 1.063 671 W HN 0.131 nan 8.180 nan 0.000 0.599 672 K N -0.399 120.252 120.400 0.418 0.000 2.480 672 K HA 0.332 4.652 4.320 0.001 0.000 0.258 672 K C -2.754 173.994 176.600 0.245 0.000 0.990 672 K CA -2.188 54.265 56.287 0.276 0.000 0.857 672 K CB 1.806 34.438 32.500 0.221 0.000 1.384 672 K HN -0.536 nan 8.250 nan 0.000 0.446 673 P HA 0.160 nan 4.420 nan 0.000 0.268 673 P C -0.434 176.947 177.300 0.135 0.000 1.204 673 P CA 0.109 63.267 63.100 0.096 0.000 0.768 673 P CB 0.733 32.464 31.700 0.051 0.000 0.842 674 G N 1.659 110.540 108.800 0.134 0.000 2.324 674 G HA2 0.393 4.354 3.960 0.001 0.000 0.293 674 G HA3 0.393 4.354 3.960 0.001 0.000 0.293 674 G C -1.873 173.179 174.900 0.254 0.000 1.297 674 G CA -0.742 44.467 45.100 0.182 0.000 0.853 674 G HN 0.289 nan 8.290 nan 0.000 0.535 675 M N 0.531 120.277 119.600 0.243 0.000 2.383 675 M HA 0.694 5.174 4.480 0.001 0.000 0.325 675 M C -0.054 176.399 176.300 0.254 0.000 1.092 675 M CA -0.820 54.634 55.300 0.258 0.000 0.961 675 M CB 1.505 34.185 32.600 0.134 0.000 1.672 675 M HN 1.169 nan 8.290 nan 0.000 0.438 676 A N 2.334 125.325 122.820 0.286 0.000 2.328 676 A HA 0.700 5.020 4.320 0.001 0.000 0.318 676 A C 0.777 178.432 177.584 0.118 0.000 1.347 676 A CA 0.235 52.330 52.037 0.097 0.000 0.842 676 A CB 0.092 19.037 19.000 -0.091 0.000 1.148 676 A HN 1.142 nan 8.150 nan 0.000 0.499 677 G N 2.884 111.732 108.800 0.080 0.000 2.591 677 G HA2 -0.351 3.610 3.960 0.001 0.000 0.298 677 G HA3 -0.351 3.610 3.960 0.001 0.000 0.298 677 G C 0.463 175.422 174.900 0.099 0.000 1.195 677 G CA 0.924 46.074 45.100 0.082 0.000 0.989 677 G HN 1.316 nan 8.290 nan 0.000 0.551 678 D N 0.332 120.799 120.400 0.111 0.000 2.342 678 D HA 0.414 5.054 4.640 0.001 0.000 0.221 678 D C 0.719 177.046 176.300 0.045 0.000 1.101 678 D CA 0.001 54.046 54.000 0.075 0.000 0.837 678 D CB 0.313 41.150 40.800 0.062 0.000 0.938 678 D HN 0.531 nan 8.370 nan 0.000 0.508 679 L N 0.938 122.223 121.223 0.105 0.000 2.295 679 L HA 0.716 5.056 4.340 0.001 0.000 0.285 679 L C 0.044 177.013 176.870 0.164 0.000 1.035 679 L CA -0.264 54.629 54.840 0.087 0.000 0.806 679 L CB 1.724 43.926 42.059 0.240 0.000 1.214 679 L HN 0.050 nan 8.230 nan 0.000 0.426 680 G N 3.164 111.949 108.800 -0.026 0.000 2.498 680 G HA2 0.843 4.803 3.960 0.001 0.000 0.312 680 G HA3 0.843 4.803 3.960 0.001 0.000 0.312 680 G C -1.803 172.787 174.900 -0.516 0.000 1.230 680 G CA -0.246 44.764 45.100 -0.150 0.000 0.968 680 G HN 0.971 nan 8.290 nan 0.000 0.481 681 A N -0.091 122.258 122.820 -0.785 0.000 2.498 681 A HA 0.699 5.019 4.320 0.001 0.000 0.298 681 A C 0.820 178.194 177.584 -0.350 0.000 1.075 681 A CA 0.192 51.796 52.037 -0.722 0.000 0.714 681 A CB 1.565 19.789 19.000 -1.294 0.000 1.299 681 A HN 1.545 nan 8.150 nan 0.000 0.407 682 S N 0.220 115.784 115.700 -0.227 0.000 2.558 682 S HA 0.484 4.954 4.470 0.001 0.000 0.217 682 S C 0.821 175.380 174.600 -0.069 0.000 0.975 682 S CA 0.666 58.798 58.200 -0.113 0.000 0.912 682 S CB -0.193 62.953 63.200 -0.091 0.000 0.776 682 S HN 2.163 nan 8.310 nan 0.000 0.526 683 G N 0.445 109.192 108.800 -0.089 0.000 2.430 683 G HA2 0.498 4.458 3.960 0.001 0.000 0.300 683 G HA3 0.498 4.458 3.960 0.001 0.000 0.300 683 G C -3.533 171.345 174.900 -0.036 0.000 1.330 683 G CA -1.171 43.914 45.100 -0.025 0.000 0.813 683 G HN -0.007 nan 8.290 nan 0.000 0.487 684 P HA 0.395 nan 4.420 nan 0.000 0.261 684 P C -0.191 176.902 177.300 -0.345 0.000 1.173 684 P CA 0.938 63.948 63.100 -0.150 0.000 0.760 684 P CB 1.007 32.534 31.700 -0.288 0.000 0.783 685 A N 2.663 125.271 122.820 -0.353 0.000 2.604 685 A HA 0.575 4.895 4.320 0.001 0.000 0.295 685 A C -1.324 176.138 177.584 -0.204 0.000 1.067 685 A CA -0.405 51.469 52.037 -0.272 0.000 0.683 685 A CB 0.947 19.865 19.000 -0.135 0.000 1.281 685 A HN 0.495 nan 8.150 nan 0.000 0.407 686 C N 1.228 120.429 119.300 -0.164 0.000 2.379 686 C HA 0.797 5.258 4.460 0.001 0.000 0.323 686 C C -0.155 174.888 174.990 0.088 0.000 1.262 686 C CA -0.444 58.586 59.018 0.019 0.000 1.581 686 C CB 0.629 28.369 27.740 0.001 0.000 2.221 686 C HN 0.669 nan 8.230 nan 0.000 0.497 687 V N 3.900 123.931 119.914 0.194 0.000 2.760 687 V HA 0.675 4.795 4.120 0.001 0.000 0.309 687 V C -0.645 175.575 176.094 0.211 0.000 1.077 687 V CA -0.468 61.952 62.300 0.200 0.000 0.910 687 V CB 1.932 33.918 31.823 0.273 0.000 1.008 687 V HN 0.653 nan 8.190 nan 0.000 0.424 688 V N 5.108 125.124 119.914 0.170 0.000 2.656 688 V HA 0.719 4.839 4.120 0.001 0.000 0.307 688 V C -0.793 175.405 176.094 0.173 0.000 1.051 688 V CA -0.576 61.797 62.300 0.122 0.000 0.893 688 V CB 1.657 33.531 31.823 0.085 0.000 0.999 688 V HN 0.849 nan 8.190 nan 0.000 0.426 689 F N 1.731 121.706 119.950 0.042 0.000 2.613 689 F HA 0.921 5.449 4.527 0.001 0.000 0.310 689 F C -0.547 175.255 175.800 0.004 0.000 1.085 689 F CA -0.991 57.010 58.000 0.001 0.000 0.945 689 F CB 2.118 41.096 39.000 -0.036 0.000 1.298 689 F HN 0.416 nan 8.300 nan 0.000 0.455 690 S N 1.782 117.602 115.700 0.201 0.000 2.566 690 S HA 0.494 4.964 4.470 0.001 0.000 0.273 690 S C -1.554 173.075 174.600 0.048 0.000 1.157 690 S CA -0.804 57.424 58.200 0.047 0.000 0.938 690 S CB 1.400 64.594 63.200 -0.010 0.000 1.087 690 S HN 1.077 nan 8.310 nan 0.000 0.474 691 R N 3.411 123.908 120.500 -0.005 0.000 2.349 691 R HA 0.421 4.761 4.340 0.001 0.000 0.299 691 R C -0.947 175.262 176.300 -0.151 0.000 1.027 691 R CA -0.386 55.735 56.100 0.035 0.000 0.958 691 R CB 0.451 30.855 30.300 0.173 0.000 1.047 691 R HN 0.776 nan 8.270 nan 0.000 0.468 692 H N 3.688 122.823 119.070 0.108 0.000 2.887 692 H HA 0.200 4.757 4.556 0.001 0.000 0.300 692 H C 0.831 176.227 175.328 0.114 0.000 1.038 692 H CA -0.035 56.069 56.048 0.093 0.000 1.352 692 H CB 1.707 31.508 29.762 0.065 0.000 1.473 692 H HN 1.050 nan 8.280 nan 0.000 0.503 693 G N 4.237 113.150 108.800 0.189 0.000 2.634 693 G HA2 -0.439 3.521 3.960 0.001 0.000 0.318 693 G HA3 -0.439 3.521 3.960 0.001 0.000 0.318 693 G C 0.925 175.947 174.900 0.203 0.000 1.207 693 G CA 0.715 45.910 45.100 0.158 0.000 0.987 693 G HN 0.684 nan 8.290 nan 0.000 0.547 694 N N 2.270 121.086 118.700 0.193 0.000 2.295 694 N HA 0.202 4.942 4.740 0.001 0.000 0.221 694 N C 0.067 175.808 175.510 0.385 0.000 1.129 694 N CA 0.823 54.008 53.050 0.224 0.000 0.836 694 N CB 0.464 39.020 38.487 0.116 0.000 1.040 694 N HN 0.781 nan 8.380 nan 0.000 0.494 695 E N 0.391 120.812 120.200 0.369 0.000 2.256 695 E HA 0.328 4.679 4.350 0.001 0.000 0.268 695 E C -1.572 175.086 176.600 0.096 0.000 0.877 695 E CA -0.903 55.656 56.400 0.266 0.000 0.757 695 E CB 2.301 32.096 29.700 0.158 0.000 1.183 695 E HN 0.038 nan 8.360 nan 0.000 0.418 696 L N 2.117 123.162 121.223 -0.295 0.000 2.287 696 L HA 0.421 4.761 4.340 0.001 0.000 0.287 696 L C -0.909 175.819 176.870 -0.237 0.000 1.022 696 L CA -0.097 54.443 54.840 -0.500 0.000 0.814 696 L CB 1.675 42.898 42.059 -1.395 0.000 1.217 696 L HN 0.341 nan 8.230 nan 0.000 0.420 697 S N 5.339 121.017 115.700 -0.036 0.000 2.489 697 S HA 0.832 5.302 4.470 0.001 0.000 0.291 697 S C -0.783 173.834 174.600 0.030 0.000 1.151 697 S CA -0.408 57.798 58.200 0.010 0.000 1.082 697 S CB 1.131 64.387 63.200 0.093 0.000 1.019 697 S HN 0.465 nan 8.310 nan 0.000 0.492 698 L N 1.972 123.198 121.223 0.006 0.000 2.422 698 L HA 0.803 5.144 4.340 0.001 0.000 0.264 698 L C -0.359 176.530 176.870 0.032 0.000 0.984 698 L CA -0.516 54.348 54.840 0.039 0.000 0.819 698 L CB 1.925 43.972 42.059 -0.021 0.000 1.330 698 L HN 0.708 nan 8.230 nan 0.000 0.410 699 A N 2.295 125.148 122.820 0.055 0.000 2.342 699 A HA 0.953 5.273 4.320 0.001 0.000 0.323 699 A C -1.144 176.460 177.584 0.034 0.000 1.125 699 A CA -0.606 51.451 52.037 0.034 0.000 0.785 699 A CB 1.542 20.565 19.000 0.038 0.000 1.221 699 A HN 0.408 nan 8.150 nan 0.000 0.463 700 V N 1.690 121.606 119.914 0.003 0.000 2.686 700 V HA 0.711 4.832 4.120 0.001 0.000 0.306 700 V C -0.022 176.047 176.094 -0.041 0.000 1.065 700 V CA -0.337 61.953 62.300 -0.015 0.000 0.894 700 V CB 1.874 33.675 31.823 -0.038 0.000 1.004 700 V HN 1.217 nan 8.190 nan 0.000 0.424 701 S N 1.881 117.542 115.700 -0.066 0.000 2.599 701 S HA 0.726 5.197 4.470 0.001 0.000 0.294 701 S C -0.870 173.627 174.600 -0.172 0.000 1.094 701 S CA -0.698 57.442 58.200 -0.101 0.000 0.931 701 S CB 2.552 65.698 63.200 -0.090 0.000 1.093 701 S HN 0.720 nan 8.310 nan 0.000 0.488 702 E N 2.278 122.375 120.200 -0.171 0.000 2.070 702 E HA 0.318 4.669 4.350 0.001 0.000 0.261 702 E C -2.008 174.439 176.600 -0.256 0.000 0.926 702 E CA -2.438 53.830 56.400 -0.219 0.000 0.760 702 E CB 1.327 30.943 29.700 -0.140 0.000 1.133 702 E HN 0.528 nan 8.360 nan 0.000 0.420 703 P HA -0.033 nan 4.420 nan 0.000 0.241 703 P C 1.069 178.275 177.300 -0.157 0.000 1.191 703 P CA 0.576 63.451 63.100 -0.374 0.000 0.771 703 P CB 0.152 31.362 31.700 -0.816 0.000 0.929 704 T N -3.291 111.165 114.554 -0.163 0.000 3.023 704 T HA -0.093 4.257 4.350 0.001 0.000 0.266 704 T C 1.242 175.964 174.700 0.035 0.000 1.093 704 T CA 0.564 62.684 62.100 0.034 0.000 1.129 704 T CB -0.879 68.019 68.868 0.049 0.000 0.899 704 T HN 0.182 nan 8.240 nan 0.000 0.491 705 Q N -0.359 119.433 119.800 -0.013 0.000 2.424 705 Q HA -0.198 4.143 4.340 0.001 0.000 0.234 705 Q C 0.680 176.687 176.000 0.013 0.000 0.748 705 Q CA 1.388 57.192 55.803 0.003 0.000 1.286 705 Q CB -1.572 27.181 28.738 0.025 0.000 1.494 705 Q HN 0.598 nan 8.270 nan 0.000 0.683 706 K N -0.992 119.414 120.400 0.010 0.000 2.481 706 K HA 0.405 4.725 4.320 0.001 0.000 0.210 706 K C 0.140 176.744 176.600 0.007 0.000 1.161 706 K CA 0.506 56.804 56.287 0.018 0.000 1.023 706 K CB 1.278 33.800 32.500 0.037 0.000 0.971 706 K HN 0.207 nan 8.250 nan 0.000 0.577 707 A N 0.852 123.665 122.820 -0.011 0.000 2.331 707 A HA 0.582 4.902 4.320 0.001 0.000 0.283 707 A C 0.948 178.520 177.584 -0.021 0.000 1.142 707 A CA -0.085 51.941 52.037 -0.017 0.000 0.812 707 A CB 0.865 19.845 19.000 -0.033 0.000 1.074 707 A HN 0.236 nan 8.150 nan 0.000 0.497 708 A N 2.051 124.862 122.820 -0.015 0.000 2.072 708 A HA 0.491 4.811 4.320 0.001 0.000 0.216 708 A C 1.108 178.677 177.584 -0.024 0.000 1.156 708 A CA 1.263 53.290 52.037 -0.016 0.000 0.701 708 A CB -0.227 18.768 19.000 -0.008 0.000 0.816 708 A HN 1.652 nan 8.150 nan 0.000 0.458 709 G N -1.713 107.069 108.800 -0.030 0.000 2.695 709 G HA2 0.558 4.518 3.960 0.001 0.000 0.290 709 G HA3 0.558 4.518 3.960 0.001 0.000 0.290 709 G C -1.844 173.024 174.900 -0.054 0.000 1.410 709 G CA -0.417 44.660 45.100 -0.039 0.000 0.844 709 G HN 0.645 nan 8.290 nan 0.000 0.478 710 L N -0.189 120.995 121.223 -0.065 0.000 2.513 710 L HA 0.769 5.109 4.340 0.001 0.000 0.261 710 L C -0.737 176.078 176.870 -0.091 0.000 0.945 710 L CA -0.203 54.584 54.840 -0.088 0.000 0.848 710 L CB 2.432 44.425 42.059 -0.110 0.000 1.334 710 L HN 0.550 nan 8.230 nan 0.000 0.407 711 T N 5.549 120.041 114.554 -0.104 0.000 2.786 711 T HA 0.619 4.969 4.350 0.001 0.000 0.283 711 T C -0.465 174.146 174.700 -0.147 0.000 0.992 711 T CA -0.338 61.700 62.100 -0.103 0.000 0.954 711 T CB 0.889 69.711 68.868 -0.076 0.000 0.934 711 T HN 0.460 nan 8.240 nan 0.000 0.440 712 L N 2.791 123.928 121.223 -0.144 0.000 2.312 712 L HA 0.466 4.806 4.340 0.001 0.000 0.281 712 L C 0.550 177.340 176.870 -0.133 0.000 1.070 712 L CA -0.767 53.966 54.840 -0.177 0.000 0.805 712 L CB 1.075 43.033 42.059 -0.169 0.000 1.174 712 L HN 0.531 nan 8.230 nan 0.000 0.434 713 T N 4.278 118.748 114.554 -0.140 0.000 2.733 713 T HA 0.437 4.787 4.350 0.001 0.000 0.294 713 T C 0.129 174.773 174.700 -0.094 0.000 0.956 713 T CA -0.434 61.615 62.100 -0.086 0.000 0.987 713 T CB 0.385 69.213 68.868 -0.066 0.000 0.920 713 T HN 0.265 nan 8.240 nan 0.000 0.470 714 L N 6.905 128.090 121.223 -0.063 0.000 2.380 714 L HA 0.359 4.699 4.340 0.001 0.000 0.273 714 L C -1.586 175.243 176.870 -0.068 0.000 1.138 714 L CA -1.855 52.927 54.840 -0.096 0.000 0.832 714 L CB 0.381 42.435 42.059 -0.007 0.000 1.124 714 L HN 0.367 nan 8.230 nan 0.000 0.454 715 P HA 0.120 nan 4.420 nan 0.000 0.279 715 P C -0.573 176.782 177.300 0.092 0.000 1.276 715 P CA -0.187 62.808 63.100 -0.175 0.000 0.801 715 P CB 0.828 32.155 31.700 -0.621 0.000 1.127 716 E N -1.281 119.007 120.200 0.148 0.000 2.694 716 E HA -0.185 4.165 4.350 0.001 0.000 0.272 716 E C 0.816 177.566 176.600 0.250 0.000 1.040 716 E CA 1.370 57.927 56.400 0.261 0.000 0.809 716 E CB -2.116 27.815 29.700 0.386 0.000 1.389 716 E HN 1.040 nan 8.360 nan 0.000 0.413 717 G N -0.887 107.980 108.800 0.111 0.000 2.545 717 G HA2 -0.227 3.733 3.960 0.001 0.000 0.216 717 G HA3 -0.227 3.733 3.960 0.001 0.000 0.216 717 G C 0.030 174.801 174.900 -0.216 0.000 1.314 717 G CA 0.298 45.345 45.100 -0.088 0.000 0.906 717 G HN 0.779 nan 8.290 nan 0.000 0.563 718 T N -2.521 111.751 114.554 -0.470 0.000 2.943 718 T HA 0.689 5.039 4.350 0.001 0.000 0.284 718 T C -0.916 173.248 174.700 -0.895 0.000 1.015 718 T CA -0.226 61.624 62.100 -0.417 0.000 1.042 718 T CB 2.004 70.739 68.868 -0.223 0.000 1.055 718 T HN 1.015 nan 8.240 nan 0.000 0.500 719 W N 0.550 121.834 121.300 -0.026 0.000 3.042 719 W HA 0.502 5.162 4.660 0.000 0.000 0.337 719 W C 0.661 177.170 176.519 -0.018 0.000 1.086 719 W CA -0.764 56.569 57.345 -0.021 0.000 1.236 719 W CB 2.099 31.541 29.460 -0.029 0.000 1.381 719 W HN 0.872 nan 8.180 nan 0.000 0.472 720 S N -0.214 115.566 115.700 0.132 0.000 2.559 720 S HA 0.356 4.826 4.470 0.001 0.000 0.226 720 S C 0.301 174.949 174.600 0.080 0.000 1.030 720 S CA 0.223 58.465 58.200 0.070 0.000 0.956 720 S CB 0.159 63.366 63.200 0.012 0.000 0.900 720 S HN 0.377 nan 8.310 nan 0.000 0.510 721 S N 0.033 115.804 115.700 0.118 0.000 2.607 721 S HA 0.733 5.203 4.470 0.001 0.000 0.273 721 S C -1.222 173.433 174.600 0.092 0.000 1.148 721 S CA -0.780 57.472 58.200 0.086 0.000 0.833 721 S CB 1.550 64.789 63.200 0.064 0.000 1.130 721 S HN 0.180 nan 8.310 nan 0.000 0.470 722 V N 2.875 122.822 119.914 0.055 0.000 2.350 722 V HA 0.348 4.468 4.120 0.001 0.000 0.276 722 V C 0.784 176.896 176.094 0.030 0.000 1.028 722 V CA -0.541 61.780 62.300 0.035 0.000 0.860 722 V CB 0.602 32.436 31.823 0.018 0.000 0.990 722 V HN 0.923 nan 8.190 nan 0.000 0.453 723 L N 3.008 124.249 121.223 0.029 0.000 2.127 723 L HA 0.244 4.584 4.340 0.001 0.000 0.203 723 L C 0.730 177.607 176.870 0.011 0.000 1.080 723 L CA 1.090 55.945 54.840 0.024 0.000 0.768 723 L CB 0.188 42.265 42.059 0.030 0.000 0.924 723 L HN 0.618 nan 8.230 nan 0.000 0.444 724 E N -1.261 118.940 120.200 0.002 0.000 2.293 724 E HA 0.529 4.879 4.350 0.001 0.000 0.270 724 E C -0.273 176.322 176.600 -0.008 0.000 0.879 724 E CA -0.109 56.289 56.400 -0.004 0.000 0.756 724 E CB 2.250 31.946 29.700 -0.007 0.000 1.208 724 E HN 0.148 nan 8.360 nan 0.000 0.428 725 G N 1.165 109.960 108.800 -0.008 0.000 2.660 725 G HA2 0.117 4.078 3.960 0.001 0.000 0.215 725 G HA3 0.117 4.078 3.960 0.001 0.000 0.215 725 G C -0.866 174.028 174.900 -0.010 0.000 1.345 725 G CA -0.465 44.629 45.100 -0.011 0.000 0.877 725 G HN 0.806 nan 8.290 nan 0.000 0.549 726 A N -0.864 121.948 122.820 -0.014 0.000 2.380 726 A HA 1.251 5.571 4.320 0.001 0.000 0.315 726 A C 0.639 178.212 177.584 -0.018 0.000 1.101 726 A CA 0.682 52.711 52.037 -0.013 0.000 0.771 726 A CB 1.654 20.646 19.000 -0.013 0.000 1.287 726 A HN 2.935 nan 8.150 nan 0.000 0.436 727 G N -0.522 108.269 108.800 -0.015 0.000 2.337 727 G HA2 0.474 4.435 3.960 0.001 0.000 0.310 727 G HA3 0.474 4.435 3.960 0.001 0.000 0.310 727 G C -0.965 173.928 174.900 -0.012 0.000 1.534 727 G CA -0.331 44.757 45.100 -0.019 0.000 0.982 727 G HN 0.949 nan 8.290 nan 0.000 0.672 728 T N 1.675 116.221 114.554 -0.014 0.000 2.770 728 T HA 0.580 4.930 4.350 0.001 0.000 0.283 728 T C 0.645 175.343 174.700 -0.003 0.000 0.988 728 T CA -0.354 61.742 62.100 -0.006 0.000 0.957 728 T CB 0.972 69.835 68.868 -0.008 0.000 0.930 728 T HN 0.514 nan 8.240 nan 0.000 0.443 729 L N 2.774 124.002 121.223 0.008 0.000 2.417 729 L HA 0.686 5.027 4.340 0.001 0.000 0.268 729 L C 1.027 177.905 176.870 0.013 0.000 1.158 729 L CA -0.077 54.774 54.840 0.019 0.000 0.819 729 L CB 0.619 42.703 42.059 0.041 0.000 1.112 729 L HN 0.802 nan 8.230 nan 0.000 0.458 730 G N 0.840 109.648 108.800 0.013 0.000 2.721 730 G HA2 0.657 4.618 3.960 0.001 0.000 0.296 730 G HA3 0.657 4.618 3.960 0.001 0.000 0.296 730 G C -1.524 173.381 174.900 0.008 0.000 1.383 730 G CA -0.312 44.791 45.100 0.006 0.000 0.788 730 G HN 0.388 nan 8.290 nan 0.000 0.500 731 T N 0.818 115.373 114.554 0.002 0.000 2.916 731 T HA 0.536 4.886 4.350 0.001 0.000 0.298 731 T C -0.700 173.998 174.700 -0.003 0.000 1.031 731 T CA -0.521 61.579 62.100 0.001 0.000 0.993 731 T CB 1.904 70.771 68.868 -0.002 0.000 1.045 731 T HN 0.829 nan 8.240 nan 0.000 0.454 732 D N 1.687 122.084 120.400 -0.004 0.000 2.496 732 D HA 0.550 5.190 4.640 0.001 0.000 0.283 732 D C 1.511 177.809 176.300 -0.004 0.000 1.214 732 D CA -0.507 53.489 54.000 -0.006 0.000 1.089 732 D CB 0.063 40.858 40.800 -0.008 0.000 1.141 732 D HN 0.453 nan 8.370 nan 0.000 0.580 733 A N -0.918 121.900 122.820 -0.004 0.000 2.014 733 A HA -0.050 4.271 4.320 0.001 0.000 0.218 733 A C 1.120 178.703 177.584 -0.002 0.000 1.163 733 A CA 1.101 53.137 52.037 -0.002 0.000 0.652 733 A CB -0.420 18.580 19.000 -0.001 0.000 0.808 733 A HN 0.485 nan 8.150 nan 0.000 0.449 734 D N -1.089 119.310 120.400 -0.002 0.000 2.342 734 D HA 0.307 4.948 4.640 0.001 0.000 0.221 734 D C 1.218 177.515 176.300 -0.004 0.000 1.101 734 D CA 0.850 54.849 54.000 -0.001 0.000 0.837 734 D CB 0.091 40.892 40.800 0.002 0.000 0.938 734 D HN 0.511 nan 8.370 nan 0.000 0.508 735 G N 1.455 110.251 108.800 -0.006 0.000 2.148 735 G HA2 -0.345 3.615 3.960 0.001 0.000 0.254 735 G HA3 -0.345 3.615 3.960 0.001 0.000 0.254 735 G C 0.360 175.254 174.900 -0.010 0.000 0.981 735 G CA -0.236 44.857 45.100 -0.010 0.000 0.670 735 G HN 0.309 nan 8.290 nan 0.000 0.528 736 R N 0.481 120.980 120.500 -0.003 0.000 2.459 736 R HA 0.534 4.874 4.340 0.001 0.000 0.281 736 R C 0.389 176.697 176.300 0.013 0.000 1.050 736 R CA -0.199 55.904 56.100 0.005 0.000 1.055 736 R CB 0.863 31.167 30.300 0.006 0.000 1.045 736 R HN 0.193 nan 8.270 nan 0.000 0.495 737 S N 1.244 116.967 115.700 0.039 0.000 2.549 737 S HA 0.120 4.590 4.470 0.001 0.000 0.279 737 S C 0.305 174.931 174.600 0.043 0.000 1.321 737 S CA -0.409 57.829 58.200 0.063 0.000 1.054 737 S CB 0.953 64.242 63.200 0.148 0.000 0.899 737 S HN 0.654 nan 8.310 nan 0.000 0.497 738 T N 0.419 114.986 114.554 0.022 0.000 2.932 738 T HA 0.730 5.081 4.350 0.001 0.000 0.289 738 T C -0.861 173.832 174.700 -0.012 0.000 1.039 738 T CA -0.916 61.178 62.100 -0.009 0.000 1.024 738 T CB 1.191 70.046 68.868 -0.022 0.000 1.090 738 T HN 0.324 nan 8.240 nan 0.000 0.496 739 L N 1.439 122.637 121.223 -0.041 0.000 2.406 739 L HA 0.640 4.980 4.340 0.001 0.000 0.272 739 L C -0.680 176.158 176.870 -0.054 0.000 0.980 739 L CA -0.095 54.719 54.840 -0.044 0.000 0.831 739 L CB 2.111 44.133 42.059 -0.062 0.000 1.253 739 L HN 0.941 nan 8.230 nan 0.000 0.406 740 T N 6.215 120.745 114.554 -0.041 0.000 2.779 740 T HA 0.637 4.987 4.350 0.001 0.000 0.280 740 T C -0.419 174.257 174.700 -0.041 0.000 0.987 740 T CA -0.268 61.806 62.100 -0.043 0.000 0.966 740 T CB 0.746 69.594 68.868 -0.033 0.000 0.933 740 T HN 0.411 nan 8.240 nan 0.000 0.442 741 L N 2.633 123.827 121.223 -0.048 0.000 2.334 741 L HA 0.530 4.870 4.340 0.001 0.000 0.276 741 L C -0.061 176.785 176.870 -0.039 0.000 1.014 741 L CA -1.145 53.669 54.840 -0.044 0.000 0.815 741 L CB 1.584 43.610 42.059 -0.054 0.000 1.268 741 L HN 0.488 nan 8.230 nan 0.000 0.428 742 D N 1.000 121.382 120.400 -0.031 0.000 2.347 742 D HA 0.139 4.779 4.640 0.001 0.000 0.235 742 D C 0.695 176.978 176.300 -0.029 0.000 1.149 742 D CA -0.220 53.764 54.000 -0.026 0.000 0.850 742 D CB 1.300 42.089 40.800 -0.019 0.000 1.061 742 D HN 0.627 nan 8.370 nan 0.000 0.487 743 T N -0.346 114.189 114.554 -0.033 0.000 3.134 743 T HA 0.110 4.461 4.350 0.001 0.000 0.260 743 T C 0.623 175.307 174.700 -0.026 0.000 1.027 743 T CA -0.433 61.645 62.100 -0.037 0.000 0.913 743 T CB -0.376 68.461 68.868 -0.053 0.000 1.046 743 T HN 0.224 nan 8.240 nan 0.000 0.553 744 T N 2.886 117.428 114.554 -0.019 0.000 2.822 744 T HA 0.385 4.735 4.350 0.001 0.000 0.288 744 T C 1.502 176.198 174.700 -0.007 0.000 0.991 744 T CA 1.020 63.114 62.100 -0.011 0.000 1.176 744 T CB -0.207 68.657 68.868 -0.007 0.000 0.951 744 T HN 0.824 nan 8.240 nan 0.000 0.526 745 G N 3.092 111.891 108.800 -0.002 0.000 2.168 745 G HA2 -0.262 3.699 3.960 0.001 0.000 0.257 745 G HA3 -0.262 3.699 3.960 0.001 0.000 0.257 745 G C 0.780 175.681 174.900 0.002 0.000 0.997 745 G CA 0.194 45.297 45.100 0.004 0.000 0.708 745 G HN 0.730 nan 8.290 nan 0.000 0.520 746 L N 0.196 121.415 121.223 -0.007 0.000 2.478 746 L HA 0.111 4.452 4.340 0.001 0.000 0.223 746 L C 1.781 178.649 176.870 -0.004 0.000 1.140 746 L CA 0.859 55.692 54.840 -0.012 0.000 0.842 746 L CB -0.130 41.913 42.059 -0.026 0.000 0.953 746 L HN 0.413 nan 8.230 nan 0.000 0.452 747 S N 0.270 115.974 115.700 0.007 0.000 3.614 747 S HA -0.221 4.250 4.470 0.001 0.000 0.360 747 S C 1.253 175.857 174.600 0.007 0.000 1.023 747 S CA 0.585 58.799 58.200 0.023 0.000 1.114 747 S CB -1.787 61.446 63.200 0.055 0.000 0.907 747 S HN 0.836 nan 8.310 nan 0.000 0.470 748 G N -0.252 108.539 108.800 -0.015 0.000 2.168 748 G HA2 -0.346 3.614 3.960 0.001 0.000 0.263 748 G HA3 -0.346 3.614 3.960 0.001 0.000 0.263 748 G C 0.012 174.894 174.900 -0.031 0.000 0.977 748 G CA 0.873 45.956 45.100 -0.028 0.000 0.659 748 G HN 0.688 nan 8.290 nan 0.000 0.533 749 K N 0.392 120.775 120.400 -0.027 0.000 2.168 749 K HA 0.447 4.767 4.320 0.001 0.000 0.258 749 K C 0.377 176.955 176.600 -0.037 0.000 1.010 749 K CA 0.053 56.321 56.287 -0.031 0.000 0.929 749 K CB 0.507 32.992 32.500 -0.025 0.000 0.998 749 K HN 0.092 nan 8.250 nan 0.000 0.479 750 T N 2.555 117.088 114.554 -0.035 0.000 2.889 750 T HA 0.184 4.535 4.350 0.001 0.000 0.291 750 T C -0.270 174.414 174.700 -0.027 0.000 0.995 750 T CA -0.557 61.525 62.100 -0.030 0.000 1.092 750 T CB 0.658 69.512 68.868 -0.023 0.000 0.954 750 T HN 0.159 nan 8.240 nan 0.000 0.506 751 K N 3.352 123.736 120.400 -0.027 0.000 2.235 751 K HA 0.486 4.806 4.320 0.001 0.000 0.266 751 K C -0.586 176.003 176.600 -0.018 0.000 0.980 751 K CA -0.507 55.766 56.287 -0.024 0.000 0.849 751 K CB 1.557 34.039 32.500 -0.030 0.000 1.098 751 K HN 0.494 nan 8.250 nan 0.000 0.445 752 L N 4.438 125.652 121.223 -0.014 0.000 2.295 752 L HA 0.561 4.901 4.340 0.001 0.000 0.285 752 L C -0.125 176.735 176.870 -0.017 0.000 1.035 752 L CA -0.868 53.965 54.840 -0.010 0.000 0.806 752 L CB 0.716 42.772 42.059 -0.005 0.000 1.214 752 L HN 0.400 nan 8.230 nan 0.000 0.426 753 I N 3.060 123.616 120.570 -0.022 0.000 2.647 753 I HA 0.444 4.615 4.170 0.001 0.000 0.295 753 I C -0.505 175.586 176.117 -0.043 0.000 1.078 753 I CA -0.447 60.832 61.300 -0.035 0.000 1.048 753 I CB 2.287 40.258 38.000 -0.050 0.000 1.239 753 I HN 0.459 nan 8.210 nan 0.000 0.421 754 K N 6.153 126.528 120.400 -0.041 0.000 2.443 754 K HA 0.740 5.061 4.320 0.001 0.000 0.252 754 K C -1.839 174.734 176.600 -0.044 0.000 0.933 754 K CA -0.507 55.751 56.287 -0.048 0.000 0.792 754 K CB 1.531 34.018 32.500 -0.022 0.000 1.185 754 K HN 0.569 nan 8.250 nan 0.000 0.425 755 L N 2.829 123.999 121.223 -0.088 0.000 2.333 755 L HA 0.576 4.916 4.340 0.001 0.000 0.269 755 L C -0.447 176.508 176.870 0.142 0.000 1.010 755 L CA -1.040 53.797 54.840 -0.006 0.000 0.818 755 L CB 1.939 43.938 42.059 -0.101 0.000 1.306 755 L HN 0.560 nan 8.230 nan 0.000 0.430 756 K N 1.891 122.458 120.400 0.278 0.000 2.259 756 K HA 0.422 4.743 4.320 0.001 0.000 0.252 756 K C -0.268 176.578 176.600 0.411 0.000 0.936 756 K CA -0.792 55.702 56.287 0.346 0.000 0.810 756 K CB 2.080 34.685 32.500 0.174 0.000 1.143 756 K HN 0.597 nan 8.250 nan 0.000 0.427 757 R N 0.000 120.665 120.500 0.276 0.000 2.786 757 R HA 0.000 4.340 4.340 0.001 0.000 0.208 757 R CA 0.000 55.987 56.100 -0.188 0.000 0.921 757 R CB 0.000 30.063 30.300 -0.394 0.000 0.687 757 R HN 0.000 nan 8.270 nan 0.000 0.535