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 1b70_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRVPFSWLKA YVPELESPEV LEERLAGLGF ETDRIERVFP IPRGVVFARV DATA SEQUENCE LEAHPIPGTR LKRLVLDAGR TVEVVSGAEN ARKGIGVALA LPGTELPGLG DATA SEQUENCE QKVGERVIQG VRSFGMALSP RELGVGEYGG GLLEFPEDAL PPGTPLSEAW DATA SEQUENCE PEEVVLDLEV TPNRPDALGL LGLARDLHAL GYALVEPEAA LKAEALPLPF DATA SEQUENCE ALKVEDPEGA PHFTLGYAFG LRVAPSPLWM QRALFAAGMR PINNVVDVTN DATA SEQUENCE YVMLERAQPM HAFDLRFVGE GIAVRRAREG ERLKTLDGVE RTLHPEDLVI DATA SEQUENCE AGWRGEESFP LGLAGVMGGA ESEVREDTEA IALEVACFDP VSIRKTARRH DATA SEQUENCE GLRTEASHRF ERGVDPLGQV PAQRRALSLL QALAGARVAE ALLEAGSPKP DATA SEQUENCE PEAIPFRPEY ANRLLGTSYP EAEQIAILKR LGCRVEGEGP TYRVTPPSHR DATA SEQUENCE LDLRLEEDLV EEVARIQGYE TIPLALPAFF PAPDNRGVEA PYRKEQRLRE DATA SEQUENCE VLSGLGFQEV YTYSFMDPED ARRFRLDPPR LLLLNPLAPE KAALRTHLFP DATA SEQUENCE GLVRVLKENL DLDRPERALL FEVGRVFRER EETHLAGLLF GEGVGLPWAK DATA SEQUENCE ERLSGYFLLK GYLEALFARL GLAFRVEAQA FPFLHPGVSG RVLVEGEEVG DATA SEQUENCE FLGALHPEIA QELELPPVHL FELRLPLPDK PLAFQDPSRH PAAFRDLAVV DATA SEQUENCE VPAPTPYGEV EALVREAAGP YLESLALFDL YQGPPLPEGH KSLAFHLRFR DATA SEQUENCE HPKRTLRDEE VEEAVSRVAE ALRAR 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.272 176.300 -0.047 0.000 1.140 1 M CA 0.000 55.279 55.300 -0.035 0.000 0.988 1 M CB 0.000 32.569 32.600 -0.051 0.000 1.302 2 R N 2.525 123.000 120.500 -0.041 0.000 2.491 2 R HA 0.521 4.871 4.340 0.017 0.000 0.283 2 R C -0.901 175.355 176.300 -0.072 0.000 1.072 2 R CA -0.313 55.770 56.100 -0.028 0.000 1.048 2 R CB 0.859 31.169 30.300 0.017 0.000 0.983 2 R HN 0.452 nan 8.270 nan 0.000 0.450 3 V N 4.741 124.623 119.914 -0.053 0.000 2.385 3 V HA 0.214 4.344 4.120 0.017 0.000 0.277 3 V C -2.325 173.769 176.094 0.001 0.000 1.012 3 V CA -2.021 60.228 62.300 -0.084 0.000 0.832 3 V CB 1.617 33.376 31.823 -0.106 0.000 1.028 3 V HN 0.636 nan 8.190 nan 0.000 0.436 4 P HA 0.191 nan 4.420 nan 0.000 0.279 4 P C 0.747 178.150 177.300 0.172 0.000 1.318 4 P CA -0.186 63.009 63.100 0.159 0.000 0.819 4 P CB 0.406 32.284 31.700 0.296 0.000 0.927 5 F N 4.196 124.160 119.950 0.024 0.000 2.039 5 F HA -0.385 4.152 4.527 0.017 0.000 0.296 5 F C 2.404 178.228 175.800 0.040 0.000 1.119 5 F CA 2.948 60.954 58.000 0.009 0.000 1.211 5 F CB -1.036 37.963 39.000 -0.001 0.000 0.956 5 F HN 0.319 nan 8.300 nan 0.000 0.496 6 S N 0.065 115.813 115.700 0.080 0.000 2.387 6 S HA -0.299 4.181 4.470 0.017 0.000 0.230 6 S C 2.041 176.643 174.600 0.003 0.000 1.035 6 S CA 1.365 59.556 58.200 -0.016 0.000 1.014 6 S CB -1.538 61.722 63.200 0.099 0.000 0.836 6 S HN 0.682 nan 8.310 nan 0.000 0.466 7 W N 2.172 123.406 121.300 -0.111 0.000 2.378 7 W HA 0.061 4.731 4.660 0.017 0.000 0.313 7 W C 2.082 178.460 176.519 -0.235 0.000 1.197 7 W CA 0.881 58.152 57.345 -0.123 0.000 1.304 7 W CB -1.171 28.282 29.460 -0.012 0.000 1.148 7 W HN 0.418 nan 8.180 nan 0.000 0.494 8 L N 2.169 123.385 121.223 -0.012 0.000 2.042 8 L HA -0.165 4.185 4.340 0.017 0.000 0.210 8 L C 2.401 179.164 176.870 -0.179 0.000 1.076 8 L CA 2.438 57.223 54.840 -0.091 0.000 0.749 8 L CB -1.262 40.697 42.059 -0.167 0.000 0.893 8 L HN -0.044 nan 8.230 nan 0.000 0.432 9 K N -0.734 119.460 120.400 -0.343 0.000 2.286 9 K HA -0.143 4.187 4.320 0.017 0.000 0.203 9 K C 1.860 178.293 176.600 -0.279 0.000 1.045 9 K CA 1.020 57.073 56.287 -0.390 0.000 0.935 9 K CB -0.197 31.977 32.500 -0.543 0.000 0.737 9 K HN 0.534 nan 8.250 nan 0.000 0.460 10 A N -0.289 122.326 122.820 -0.340 0.000 2.121 10 A HA -0.105 4.225 4.320 0.017 0.000 0.218 10 A C 1.061 178.361 177.584 -0.475 0.000 1.154 10 A CA 0.971 52.744 52.037 -0.440 0.000 0.679 10 A CB -0.271 18.403 19.000 -0.543 0.000 0.795 10 A HN 0.368 nan 8.150 nan 0.000 0.458 11 Y N -1.804 118.464 120.300 -0.054 0.000 2.581 11 Y HA 0.259 4.819 4.550 0.017 0.000 0.271 11 Y C 0.565 176.421 175.900 -0.075 0.000 1.100 11 Y CA -0.262 57.800 58.100 -0.064 0.000 1.281 11 Y CB 0.467 38.876 38.460 -0.084 0.000 1.237 11 Y HN -0.030 nan 8.280 nan 0.000 0.514 12 V N 3.377 123.299 119.914 0.014 0.000 2.225 12 V HA 0.208 4.338 4.120 0.017 0.000 0.264 12 V C -1.802 174.241 176.094 -0.084 0.000 1.067 12 V CA -1.500 60.776 62.300 -0.039 0.000 0.903 12 V CB 0.727 32.456 31.823 -0.157 0.000 1.136 12 V HN 0.005 nan 8.190 nan 0.000 0.456 13 P HA -0.181 nan 4.420 nan 0.000 0.216 13 P C 0.902 178.201 177.300 -0.002 0.000 1.153 13 P CA 1.326 64.398 63.100 -0.047 0.000 0.858 13 P CB 0.410 32.095 31.700 -0.024 0.000 0.789 14 E N -0.338 119.913 120.200 0.084 0.000 2.461 14 E HA 0.071 4.431 4.350 0.017 0.000 0.196 14 E C 0.377 177.122 176.600 0.242 0.000 1.129 14 E CA -0.295 56.203 56.400 0.162 0.000 0.902 14 E CB -0.613 29.213 29.700 0.209 0.000 0.963 14 E HN 0.329 nan 8.360 nan 0.000 0.503 15 L N 1.702 122.980 121.223 0.091 0.000 2.499 15 L HA -0.046 4.304 4.340 0.017 0.000 0.273 15 L C 1.269 178.286 176.870 0.246 0.000 1.195 15 L CA -0.016 54.883 54.840 0.100 0.000 0.882 15 L CB 0.586 42.572 42.059 -0.121 0.000 1.133 15 L HN 0.077 nan 8.230 nan 0.000 0.483 16 E N 1.345 121.713 120.200 0.280 0.000 2.072 16 E HA -0.072 4.288 4.350 0.017 0.000 0.191 16 E C 0.261 176.988 176.600 0.211 0.000 0.985 16 E CA 1.076 57.605 56.400 0.214 0.000 0.801 16 E CB 0.178 29.977 29.700 0.165 0.000 0.750 16 E HN 0.719 nan 8.360 nan 0.000 0.452 17 S N -3.123 112.716 115.700 0.231 0.000 2.686 17 S HA 0.146 4.626 4.470 0.017 0.000 0.273 17 S C -2.648 171.817 174.600 -0.224 0.000 1.060 17 S CA -1.094 57.073 58.200 -0.056 0.000 0.845 17 S CB 0.721 63.862 63.200 -0.098 0.000 1.086 17 S HN -0.254 nan 8.310 nan 0.000 0.461 18 P HA -0.097 nan 4.420 nan 0.000 0.216 18 P C 1.040 178.258 177.300 -0.137 0.000 1.153 18 P CA 1.831 64.664 63.100 -0.444 0.000 0.858 18 P CB -0.033 31.349 31.700 -0.531 0.000 0.789 19 E N -0.647 119.477 120.200 -0.127 0.000 2.017 19 E HA -0.119 4.241 4.350 0.017 0.000 0.193 19 E C 2.132 178.729 176.600 -0.005 0.000 0.997 19 E CA 0.893 57.262 56.400 -0.053 0.000 0.804 19 E CB -1.601 28.070 29.700 -0.048 0.000 0.757 19 E HN -0.034 nan 8.360 nan 0.000 0.448 20 V N 1.050 120.974 119.914 0.016 0.000 2.324 20 V HA -0.251 3.879 4.120 0.017 0.000 0.250 20 V C 2.231 178.373 176.094 0.080 0.000 1.060 20 V CA 1.667 64.004 62.300 0.063 0.000 1.042 20 V CB -0.500 31.384 31.823 0.102 0.000 0.650 20 V HN 0.221 nan 8.190 nan 0.000 0.450 21 L N 0.393 121.668 121.223 0.086 0.000 1.994 21 L HA -0.192 4.158 4.340 0.017 0.000 0.208 21 L C 2.417 179.317 176.870 0.050 0.000 1.071 21 L CA 2.420 57.309 54.840 0.081 0.000 0.745 21 L CB -1.014 41.139 42.059 0.157 0.000 0.892 21 L HN 0.458 nan 8.230 nan 0.000 0.431 22 E N -0.701 119.520 120.200 0.035 0.000 2.130 22 E HA -0.314 4.046 4.350 0.017 0.000 0.196 22 E C 2.037 178.658 176.600 0.036 0.000 0.998 22 E CA 1.661 58.077 56.400 0.028 0.000 0.806 22 E CB -0.035 29.671 29.700 0.011 0.000 0.738 22 E HN 0.682 nan 8.360 nan 0.000 0.459 23 E N -0.233 119.990 120.200 0.038 0.000 2.001 23 E HA -0.205 4.155 4.350 0.017 0.000 0.195 23 E C 2.192 178.823 176.600 0.052 0.000 1.002 23 E CA 1.242 57.667 56.400 0.041 0.000 0.819 23 E CB 0.084 29.812 29.700 0.046 0.000 0.769 23 E HN 0.088 nan 8.360 nan 0.000 0.454 24 R N 0.344 120.886 120.500 0.071 0.000 2.119 24 R HA -0.197 4.153 4.340 0.017 0.000 0.246 24 R C 2.460 178.806 176.300 0.078 0.000 1.146 24 R CA 1.211 57.363 56.100 0.085 0.000 0.962 24 R CB -1.137 29.230 30.300 0.110 0.000 0.863 24 R HN 0.348 nan 8.270 nan 0.000 0.442 25 L N 0.081 121.349 121.223 0.076 0.000 2.056 25 L HA -0.055 4.295 4.340 0.017 0.000 0.207 25 L C 2.712 179.674 176.870 0.154 0.000 1.078 25 L CA 1.190 56.114 54.840 0.139 0.000 0.749 25 L CB -0.788 41.331 42.059 0.099 0.000 0.901 25 L HN 0.142 nan 8.230 nan 0.000 0.433 26 A N 0.782 123.648 122.820 0.077 0.000 1.892 26 A HA -0.208 4.122 4.320 0.017 0.000 0.218 26 A C 2.389 179.954 177.584 -0.032 0.000 1.188 26 A CA 2.084 54.137 52.037 0.027 0.000 0.631 26 A CB -1.384 17.624 19.000 0.014 0.000 0.822 26 A HN 0.463 nan 8.150 nan 0.000 0.447 27 G N -0.791 107.995 108.800 -0.023 0.000 2.443 27 G HA2 -0.053 3.917 3.960 0.017 0.000 0.219 27 G HA3 -0.053 3.917 3.960 0.017 0.000 0.219 27 G C 1.418 176.238 174.900 -0.133 0.000 1.131 27 G CA 0.878 45.927 45.100 -0.085 0.000 0.775 27 G HN 0.452 nan 8.290 nan 0.000 0.547 28 L N -0.188 121.021 121.223 -0.024 0.000 2.492 28 L HA 0.259 4.609 4.340 0.017 0.000 0.223 28 L C 1.868 178.591 176.870 -0.244 0.000 1.132 28 L CA 0.634 55.469 54.840 -0.008 0.000 0.850 28 L CB 0.201 42.403 42.059 0.238 0.000 0.966 28 L HN 0.392 nan 8.230 nan 0.000 0.454 29 G N -0.550 108.041 108.800 -0.347 0.000 2.147 29 G HA2 -0.197 3.773 3.960 0.017 0.000 0.128 29 G HA3 -0.197 3.773 3.960 0.017 0.000 0.128 29 G C -0.293 174.095 174.900 -0.853 0.000 1.026 29 G CA -0.778 43.950 45.100 -0.620 0.000 0.693 29 G HN 0.113 nan 8.290 nan 0.000 0.499 30 F N 1.144 121.059 119.950 -0.058 0.000 2.496 30 F HA 0.561 5.098 4.527 0.017 0.000 0.341 30 F C 0.211 175.990 175.800 -0.034 0.000 1.134 30 F CA -1.070 56.905 58.000 -0.041 0.000 0.968 30 F CB 1.833 40.807 39.000 -0.042 0.000 1.205 30 F HN 0.116 nan 8.300 nan 0.000 0.436 31 E N 1.912 122.180 120.200 0.114 0.000 2.227 31 E HA 0.307 4.667 4.350 0.017 0.000 0.282 31 E C -0.701 175.941 176.600 0.071 0.000 1.015 31 E CA -0.364 56.076 56.400 0.067 0.000 0.823 31 E CB 1.089 30.806 29.700 0.028 0.000 1.081 31 E HN 0.499 nan 8.360 nan 0.000 0.396 32 T N 4.665 119.250 114.554 0.051 0.000 2.749 32 T HA 0.089 4.450 4.350 0.017 0.000 0.295 32 T C 0.118 174.831 174.700 0.023 0.000 0.936 32 T CA -0.555 61.565 62.100 0.034 0.000 1.060 32 T CB 0.595 69.477 68.868 0.024 0.000 0.904 32 T HN 0.455 nan 8.240 nan 0.000 0.500 33 D N 2.859 123.271 120.400 0.020 0.000 2.354 33 D HA 0.092 4.743 4.640 0.017 0.000 0.209 33 D C 0.895 177.201 176.300 0.009 0.000 1.015 33 D CA 0.357 54.366 54.000 0.015 0.000 0.867 33 D CB 0.933 41.742 40.800 0.016 0.000 0.933 33 D HN 0.369 nan 8.370 nan 0.000 0.520 34 R N -0.256 120.248 120.500 0.006 0.000 2.753 34 R HA 0.424 4.774 4.340 0.017 0.000 0.272 34 R C -1.924 174.373 176.300 -0.005 0.000 1.034 34 R CA -0.501 55.599 56.100 0.000 0.000 0.869 34 R CB 1.560 31.861 30.300 0.001 0.000 1.264 34 R HN -0.160 nan 8.270 nan 0.000 0.481 35 I N 2.063 122.626 120.570 -0.012 0.000 2.647 35 I HA 0.452 4.633 4.170 0.017 0.000 0.295 35 I C -0.728 175.373 176.117 -0.028 0.000 1.078 35 I CA -0.744 60.543 61.300 -0.022 0.000 1.048 35 I CB 2.311 40.291 38.000 -0.032 0.000 1.239 35 I HN 0.557 nan 8.210 nan 0.000 0.421 36 E N 4.830 125.009 120.200 -0.036 0.000 2.366 36 E HA 0.476 4.837 4.350 0.017 0.000 0.278 36 E C -1.166 175.396 176.600 -0.063 0.000 0.923 36 E CA -1.028 55.347 56.400 -0.043 0.000 0.761 36 E CB 3.324 33.002 29.700 -0.036 0.000 1.231 36 E HN 0.389 nan 8.360 nan 0.000 0.443 37 R N 0.915 121.378 120.500 -0.061 0.000 2.486 37 R HA 0.376 4.726 4.340 0.017 0.000 0.286 37 R C 0.638 176.877 176.300 -0.102 0.000 0.999 37 R CA -0.045 56.014 56.100 -0.069 0.000 0.993 37 R CB 1.502 31.779 30.300 -0.038 0.000 1.084 37 R HN 0.479 nan 8.270 nan 0.000 0.487 38 V N -1.341 118.470 119.914 -0.172 0.000 3.294 38 V HA 0.292 4.422 4.120 0.017 0.000 0.255 38 V C 0.028 176.045 176.094 -0.129 0.000 1.528 38 V CA 0.048 62.178 62.300 -0.283 0.000 1.086 38 V CB 0.326 31.761 31.823 -0.647 0.000 0.906 38 V HN 0.384 nan 8.190 nan 0.000 0.433 39 F N 4.514 124.550 119.950 0.144 0.000 2.434 39 F HA 0.607 5.144 4.527 0.017 0.000 0.316 39 F C -2.617 173.234 175.800 0.086 0.000 1.222 39 F CA -3.615 54.474 58.000 0.149 0.000 1.207 39 F CB 0.557 39.785 39.000 0.378 0.000 1.466 39 F HN 0.106 nan 8.300 nan 0.000 0.545 40 P HA 0.275 nan 4.420 nan 0.000 0.280 40 P C -0.343 176.993 177.300 0.060 0.000 1.300 40 P CA 0.130 63.294 63.100 0.108 0.000 0.785 40 P CB 1.330 33.070 31.700 0.066 0.000 0.874 41 I N 6.862 127.462 120.570 0.050 0.000 2.411 41 I HA 0.289 4.470 4.170 0.017 0.000 0.284 41 I C -1.839 174.283 176.117 0.008 0.000 1.012 41 I CA -2.603 58.694 61.300 -0.004 0.000 1.119 41 I CB 1.882 39.861 38.000 -0.035 0.000 1.261 41 I HN 0.185 nan 8.210 nan 0.000 0.448 42 P HA 0.114 nan 4.420 nan 0.000 0.269 42 P C 0.340 177.642 177.300 0.002 0.000 1.217 42 P CA -0.369 62.730 63.100 -0.002 0.000 0.783 42 P CB 0.866 32.557 31.700 -0.015 0.000 0.898 43 R N 1.423 121.928 120.500 0.008 0.000 2.127 43 R HA -0.089 4.261 4.340 0.017 0.000 0.238 43 R C 2.429 178.735 176.300 0.009 0.000 1.134 43 R CA 1.929 58.037 56.100 0.014 0.000 0.975 43 R CB -1.624 28.685 30.300 0.015 0.000 0.865 43 R HN 0.745 nan 8.270 nan 0.000 0.447 44 G N 0.083 108.879 108.800 -0.007 0.000 2.469 44 G HA2 -0.176 3.795 3.960 0.017 0.000 0.220 44 G HA3 -0.176 3.795 3.960 0.017 0.000 0.220 44 G C 0.237 175.126 174.900 -0.018 0.000 1.136 44 G CA 0.661 45.749 45.100 -0.020 0.000 0.759 44 G HN 0.161 nan 8.290 nan 0.000 0.562 45 V N 1.093 120.998 119.914 -0.016 0.000 2.530 45 V HA 0.457 4.587 4.120 0.017 0.000 0.282 45 V C 0.481 176.593 176.094 0.030 0.000 1.048 45 V CA -0.362 61.931 62.300 -0.011 0.000 0.997 45 V CB 0.868 32.670 31.823 -0.035 0.000 0.987 45 V HN 0.374 nan 8.190 nan 0.000 0.477 46 V N 2.783 122.729 119.914 0.053 0.000 3.160 46 V HA 0.697 4.827 4.120 0.017 0.000 0.310 46 V C -0.870 175.324 176.094 0.168 0.000 1.181 46 V CA -1.104 61.262 62.300 0.111 0.000 1.047 46 V CB 2.083 33.965 31.823 0.099 0.000 1.068 46 V HN 0.585 nan 8.190 nan 0.000 0.441 47 F N 2.197 122.194 119.950 0.079 0.000 2.427 47 F HA 0.823 5.360 4.527 0.017 0.000 0.352 47 F C 0.267 176.126 175.800 0.097 0.000 1.100 47 F CA 0.457 58.528 58.000 0.118 0.000 1.191 47 F CB 0.595 39.657 39.000 0.103 0.000 1.128 47 F HN 1.084 nan 8.300 nan 0.000 0.533 48 A N 6.647 129.023 122.820 -0.740 0.000 2.539 48 A HA 0.803 5.133 4.320 0.017 0.000 0.296 48 A C -1.334 175.800 177.584 -0.751 0.000 1.073 48 A CA -1.137 50.573 52.037 -0.545 0.000 0.700 48 A CB 1.516 20.379 19.000 -0.228 0.000 1.296 48 A HN 0.867 nan 8.150 nan 0.000 0.405 49 R N 0.705 120.961 120.500 -0.407 0.000 2.562 49 R HA 0.647 4.997 4.340 0.017 0.000 0.298 49 R C -1.369 174.853 176.300 -0.130 0.000 0.961 49 R CA -0.769 55.176 56.100 -0.258 0.000 0.881 49 R CB 1.429 31.676 30.300 -0.088 0.000 1.159 49 R HN 0.244 nan 8.270 nan 0.000 0.450 50 V N 5.412 125.262 119.914 -0.106 0.000 2.364 50 V HA 0.002 4.133 4.120 0.017 0.000 0.252 50 V C 1.459 177.528 176.094 -0.042 0.000 1.075 50 V CA -0.040 62.218 62.300 -0.069 0.000 1.033 50 V CB -0.438 31.343 31.823 -0.071 0.000 1.116 50 V HN 0.758 nan 8.190 nan 0.000 0.488 51 L N 1.746 122.952 121.223 -0.027 0.000 2.072 51 L HA 0.156 4.506 4.340 0.017 0.000 0.205 51 L C 0.930 177.787 176.870 -0.020 0.000 1.079 51 L CA 1.213 56.046 54.840 -0.013 0.000 0.752 51 L CB -0.076 41.984 42.059 0.001 0.000 0.906 51 L HN 0.492 nan 8.230 nan 0.000 0.436 52 E N -0.567 119.622 120.200 -0.019 0.000 2.356 52 E HA 0.642 5.002 4.350 0.017 0.000 0.275 52 E C -1.402 175.153 176.600 -0.076 0.000 0.904 52 E CA -0.430 55.932 56.400 -0.063 0.000 0.757 52 E CB 2.383 32.099 29.700 0.027 0.000 1.232 52 E HN -0.030 nan 8.360 nan 0.000 0.442 53 A N 2.813 125.514 122.820 -0.198 0.000 2.466 53 A HA 0.562 4.892 4.320 0.017 0.000 0.291 53 A C -1.362 176.096 177.584 -0.210 0.000 1.234 53 A CA -0.576 51.385 52.037 -0.127 0.000 0.752 53 A CB 0.001 18.945 19.000 -0.094 0.000 1.153 53 A HN 0.565 nan 8.150 nan 0.000 0.458 54 H N 2.454 121.514 119.070 -0.017 0.000 2.476 54 H HA 0.511 5.077 4.556 0.017 0.000 0.328 54 H C -2.662 172.658 175.328 -0.014 0.000 1.073 54 H CA -1.527 54.513 56.048 -0.014 0.000 1.229 54 H CB 1.530 31.284 29.762 -0.013 0.000 1.432 54 H HN 0.390 nan 8.280 nan 0.000 0.477 55 P HA 0.082 nan 4.420 nan 0.000 0.279 55 P C -0.261 177.068 177.300 0.048 0.000 1.239 55 P CA -0.434 62.695 63.100 0.048 0.000 0.789 55 P CB 0.941 32.655 31.700 0.024 0.000 0.933 56 I N 3.986 124.573 120.570 0.028 0.000 2.379 56 I HA 0.171 4.351 4.170 0.017 0.000 0.290 56 I C -1.949 174.175 176.117 0.011 0.000 1.063 56 I CA -2.558 58.752 61.300 0.016 0.000 1.351 56 I CB 0.209 38.214 38.000 0.008 0.000 1.410 56 I HN 0.134 nan 8.210 nan 0.000 0.505 57 P HA 0.028 nan 4.420 nan 0.000 0.261 57 P C 0.912 178.213 177.300 0.003 0.000 1.183 57 P CA 0.763 63.867 63.100 0.006 0.000 0.761 57 P CB 0.774 32.477 31.700 0.005 0.000 0.785 58 G N 1.682 110.484 108.800 0.002 0.000 2.199 58 G HA2 -0.204 3.766 3.960 0.017 0.000 0.254 58 G HA3 -0.204 3.766 3.960 0.017 0.000 0.254 58 G C 0.244 175.143 174.900 -0.000 0.000 0.982 58 G CA 0.454 45.555 45.100 0.000 0.000 0.632 58 G HN 0.940 nan 8.290 nan 0.000 0.529 59 T N -2.776 111.778 114.554 0.000 0.000 2.907 59 T HA 0.694 5.054 4.350 0.017 0.000 0.290 59 T C 0.348 175.047 174.700 -0.001 0.000 1.066 59 T CA -0.566 61.533 62.100 -0.001 0.000 1.012 59 T CB 1.940 70.806 68.868 -0.002 0.000 1.184 59 T HN 0.136 nan 8.240 nan 0.000 0.522 60 R N 0.784 121.282 120.500 -0.003 0.000 2.978 60 R HA 0.440 4.790 4.340 0.017 0.000 0.298 60 R C -0.813 175.483 176.300 -0.006 0.000 1.296 60 R CA -0.254 55.844 56.100 -0.004 0.000 1.181 60 R CB -0.385 29.911 30.300 -0.006 0.000 1.348 60 R HN 0.349 nan 8.270 nan 0.000 0.585 61 L N -0.118 121.103 121.223 -0.004 0.000 2.301 61 L HA 0.512 4.862 4.340 0.017 0.000 0.264 61 L C -0.320 176.552 176.870 0.003 0.000 1.016 61 L CA -0.733 54.104 54.840 -0.005 0.000 0.821 61 L CB 1.654 43.709 42.059 -0.006 0.000 1.346 61 L HN -0.073 nan 8.230 nan 0.000 0.429 62 K N 0.848 121.250 120.400 0.002 0.000 2.375 62 K HA 0.552 4.883 4.320 0.017 0.000 0.249 62 K C -1.016 175.596 176.600 0.021 0.000 0.942 62 K CA -0.916 55.381 56.287 0.016 0.000 0.806 62 K CB 2.870 35.372 32.500 0.004 0.000 1.227 62 K HN 0.472 nan 8.250 nan 0.000 0.430 63 R N 3.633 124.163 120.500 0.050 0.000 2.215 63 R HA 0.314 4.664 4.340 0.017 0.000 0.336 63 R C -0.949 175.394 176.300 0.073 0.000 0.996 63 R CA -0.438 55.692 56.100 0.050 0.000 0.847 63 R CB 0.286 30.614 30.300 0.046 0.000 1.127 63 R HN 0.546 nan 8.270 nan 0.000 0.465 64 L N 4.454 125.699 121.223 0.037 0.000 2.307 64 L HA 0.442 4.792 4.340 0.017 0.000 0.282 64 L C -0.354 176.538 176.870 0.036 0.000 1.051 64 L CA -1.246 53.610 54.840 0.028 0.000 0.804 64 L CB 1.838 43.890 42.059 -0.011 0.000 1.197 64 L HN 0.355 nan 8.230 nan 0.000 0.431 65 V N 4.786 124.727 119.914 0.045 0.000 2.347 65 V HA 0.421 4.552 4.120 0.017 0.000 0.280 65 V C 0.149 176.244 176.094 0.003 0.000 1.021 65 V CA -0.338 61.983 62.300 0.035 0.000 0.847 65 V CB 1.425 33.290 31.823 0.070 0.000 0.990 65 V HN 0.503 nan 8.190 nan 0.000 0.444 66 L N 3.520 124.738 121.223 -0.009 0.000 2.342 66 L HA 0.638 4.989 4.340 0.017 0.000 0.271 66 L C -0.522 176.333 176.870 -0.025 0.000 1.008 66 L CA -0.692 54.131 54.840 -0.029 0.000 0.818 66 L CB 2.105 44.142 42.059 -0.037 0.000 1.296 66 L HN 0.496 nan 8.230 nan 0.000 0.427 67 D N 1.807 122.186 120.400 -0.034 0.000 2.412 67 D HA 0.465 5.116 4.640 0.017 0.000 0.224 67 D C -0.076 176.215 176.300 -0.015 0.000 1.093 67 D CA -0.252 53.740 54.000 -0.013 0.000 0.850 67 D CB 1.845 42.647 40.800 0.003 0.000 1.046 67 D HN 0.602 nan 8.370 nan 0.000 0.507 68 A N 2.542 125.366 122.820 0.007 0.000 2.606 68 A HA 0.648 4.979 4.320 0.017 0.000 0.290 68 A C 1.190 178.806 177.584 0.053 0.000 1.174 68 A CA 0.420 52.475 52.037 0.029 0.000 0.958 68 A CB 0.070 19.095 19.000 0.042 0.000 1.194 68 A HN 0.814 nan 8.150 nan 0.000 0.526 69 G N 0.708 109.536 108.800 0.046 0.000 3.141 69 G HA2 -0.166 3.804 3.960 0.017 0.000 0.205 69 G HA3 -0.166 3.804 3.960 0.017 0.000 0.205 69 G C 0.402 175.315 174.900 0.021 0.000 1.924 69 G CA -0.199 44.927 45.100 0.044 0.000 1.573 69 G HN 0.988 nan 8.290 nan 0.000 0.591 70 R N 1.781 122.286 120.500 0.008 0.000 2.573 70 R HA 0.694 5.044 4.340 0.017 0.000 0.272 70 R C -0.336 175.947 176.300 -0.028 0.000 1.009 70 R CA 0.147 56.236 56.100 -0.018 0.000 1.059 70 R CB 0.258 30.534 30.300 -0.040 0.000 1.112 70 R HN 0.282 nan 8.270 nan 0.000 0.517 71 T N 0.264 114.793 114.554 -0.042 0.000 2.813 71 T HA 0.361 4.721 4.350 0.017 0.000 0.297 71 T C -0.135 174.518 174.700 -0.077 0.000 1.036 71 T CA -0.330 61.744 62.100 -0.043 0.000 1.044 71 T CB 0.831 69.677 68.868 -0.037 0.000 0.993 71 T HN 0.488 nan 8.240 nan 0.000 0.535 72 V N 0.405 120.284 119.914 -0.058 0.000 3.236 72 V HA 0.445 4.575 4.120 0.017 0.000 0.287 72 V C -1.907 174.176 176.094 -0.018 0.000 1.491 72 V CA -0.759 61.495 62.300 -0.076 0.000 1.037 72 V CB 2.514 34.298 31.823 -0.065 0.000 1.160 72 V HN 0.951 nan 8.190 nan 0.000 0.453 73 E N 1.539 121.737 120.200 -0.002 0.000 2.256 73 E HA 0.822 5.183 4.350 0.017 0.000 0.267 73 E C -1.359 175.282 176.600 0.068 0.000 0.892 73 E CA -0.616 55.799 56.400 0.025 0.000 0.775 73 E CB 2.442 32.146 29.700 0.006 0.000 1.207 73 E HN 0.890 nan 8.360 nan 0.000 0.420 74 V N -1.231 118.709 119.914 0.044 0.000 3.188 74 V HA 0.650 4.780 4.120 0.017 0.000 0.305 74 V C -0.982 175.121 176.094 0.016 0.000 1.232 74 V CA -0.944 61.379 62.300 0.037 0.000 1.043 74 V CB 1.821 33.655 31.823 0.018 0.000 1.068 74 V HN 0.391 nan 8.190 nan 0.000 0.439 75 V N 1.515 121.432 119.914 0.005 0.000 2.495 75 V HA 0.794 4.925 4.120 0.017 0.000 0.298 75 V C -0.010 176.074 176.094 -0.017 0.000 1.031 75 V CA 0.114 62.413 62.300 -0.002 0.000 0.871 75 V CB 1.671 33.493 31.823 -0.002 0.000 0.988 75 V HN 1.183 nan 8.190 nan 0.000 0.432 76 S N 2.701 118.389 115.700 -0.020 0.000 2.542 76 S HA 0.700 5.181 4.470 0.017 0.000 0.293 76 S C 0.784 175.365 174.600 -0.032 0.000 1.089 76 S CA 0.195 58.375 58.200 -0.034 0.000 0.961 76 S CB 1.940 65.112 63.200 -0.046 0.000 1.062 76 S HN 0.927 nan 8.310 nan 0.000 0.483 77 G N 1.422 110.198 108.800 -0.040 0.000 2.833 77 G HA2 0.439 4.409 3.960 0.017 0.000 0.210 77 G HA3 0.439 4.409 3.960 0.017 0.000 0.210 77 G C 0.523 175.399 174.900 -0.040 0.000 1.139 77 G CA 0.372 45.451 45.100 -0.035 0.000 0.771 77 G HN 1.083 nan 8.290 nan 0.000 0.535 78 A N 1.015 123.803 122.820 -0.052 0.000 2.567 78 A HA 0.295 4.625 4.320 0.017 0.000 0.240 78 A C 1.441 179.004 177.584 -0.036 0.000 1.053 78 A CA 0.164 52.167 52.037 -0.056 0.000 0.755 78 A CB 0.406 19.360 19.000 -0.075 0.000 0.978 78 A HN 0.310 nan 8.150 nan 0.000 0.507 79 E N 2.460 122.646 120.200 -0.022 0.000 2.047 79 E HA -0.195 4.165 4.350 0.017 0.000 0.191 79 E C 1.515 178.110 176.600 -0.008 0.000 0.987 79 E CA 1.350 57.745 56.400 -0.009 0.000 0.799 79 E CB -0.356 29.348 29.700 0.006 0.000 0.752 79 E HN 0.954 nan 8.360 nan 0.000 0.449 80 N N 2.043 120.742 118.700 -0.001 0.000 2.430 80 N HA -0.104 4.647 4.740 0.017 0.000 0.186 80 N C 0.547 176.042 175.510 -0.026 0.000 1.032 80 N CA 0.729 53.778 53.050 -0.003 0.000 0.893 80 N CB -0.424 38.073 38.487 0.016 0.000 0.957 80 N HN -0.053 nan 8.380 nan 0.000 0.442 81 A N 1.488 124.285 122.820 -0.037 0.000 2.545 81 A HA 0.267 4.597 4.320 0.017 0.000 0.253 81 A C 0.700 178.257 177.584 -0.044 0.000 1.074 81 A CA -0.188 51.819 52.037 -0.050 0.000 0.760 81 A CB -0.122 18.847 19.000 -0.052 0.000 1.005 81 A HN 0.650 nan 8.150 nan 0.000 0.506 82 R N 1.993 122.463 120.500 -0.050 0.000 2.728 82 R HA 0.364 4.714 4.340 0.017 0.000 0.274 82 R C -0.989 175.279 176.300 -0.053 0.000 1.032 82 R CA -0.907 55.163 56.100 -0.049 0.000 0.866 82 R CB 0.617 30.894 30.300 -0.039 0.000 1.263 82 R HN 0.650 nan 8.270 nan 0.000 0.475 83 K N 0.304 120.669 120.400 -0.058 0.000 2.380 83 K HA 0.210 4.540 4.320 0.017 0.000 0.267 83 K C 0.615 177.194 176.600 -0.035 0.000 0.990 83 K CA 1.480 57.735 56.287 -0.053 0.000 0.946 83 K CB 0.076 32.537 32.500 -0.066 0.000 0.937 83 K HN 0.909 nan 8.250 nan 0.000 0.491 84 G N 2.622 111.408 108.800 -0.024 0.000 2.132 84 G HA2 -0.213 3.757 3.960 0.017 0.000 0.234 84 G HA3 -0.213 3.757 3.960 0.017 0.000 0.234 84 G C -0.059 174.846 174.900 0.008 0.000 0.989 84 G CA 0.454 45.551 45.100 -0.005 0.000 0.676 84 G HN 0.780 nan 8.290 nan 0.000 0.522 85 I N -2.752 117.814 120.570 -0.007 0.000 3.042 85 I HA 0.913 5.093 4.170 0.017 0.000 0.310 85 I C 0.460 176.574 176.117 -0.006 0.000 1.117 85 I CA -1.161 60.145 61.300 0.010 0.000 1.003 85 I CB 1.974 39.959 38.000 -0.025 0.000 1.228 85 I HN 0.216 nan 8.210 nan 0.000 0.443 86 G N 1.993 110.840 108.800 0.079 0.000 2.367 86 G HA2 0.622 4.593 3.960 0.017 0.000 0.314 86 G HA3 0.622 4.593 3.960 0.017 0.000 0.314 86 G C -0.560 174.261 174.900 -0.133 0.000 1.130 86 G CA -0.540 44.569 45.100 0.014 0.000 0.864 86 G HN 0.996 nan 8.290 nan 0.000 0.486 87 V N -1.034 118.694 119.914 -0.311 0.000 3.040 87 V HA 0.895 5.025 4.120 0.017 0.000 0.312 87 V C 0.127 176.118 176.094 -0.172 0.000 1.115 87 V CA -1.221 60.872 62.300 -0.345 0.000 0.998 87 V CB 1.617 33.281 31.823 -0.266 0.000 1.042 87 V HN 1.314 nan 8.190 nan 0.000 0.433 88 A N 3.803 126.529 122.820 -0.157 0.000 2.343 88 A HA 0.643 4.973 4.320 0.017 0.000 0.305 88 A C -0.315 177.235 177.584 -0.056 0.000 1.308 88 A CA -0.332 51.718 52.037 0.022 0.000 0.949 88 A CB -0.075 18.929 19.000 0.007 0.000 1.148 88 A HN 1.096 nan 8.150 nan 0.000 0.545 89 L N 3.904 125.108 121.223 -0.032 0.000 2.262 89 L HA 0.594 4.944 4.340 0.017 0.000 0.288 89 L C 0.205 177.054 176.870 -0.036 0.000 1.035 89 L CA -0.202 54.612 54.840 -0.044 0.000 0.820 89 L CB 0.957 42.994 42.059 -0.037 0.000 1.204 89 L HN 0.709 nan 8.230 nan 0.000 0.424 90 A N 6.646 129.428 122.820 -0.063 0.000 2.310 90 A HA 0.468 4.798 4.320 0.017 0.000 0.300 90 A C -0.066 177.453 177.584 -0.109 0.000 1.269 90 A CA -0.497 51.495 52.037 -0.076 0.000 0.909 90 A CB 0.170 19.118 19.000 -0.086 0.000 1.144 90 A HN 0.798 nan 8.150 nan 0.000 0.540 91 L N 3.929 125.084 121.223 -0.114 0.000 2.472 91 L HA 0.277 4.627 4.340 0.017 0.000 0.260 91 L C -1.697 174.998 176.870 -0.292 0.000 1.209 91 L CA -1.527 53.182 54.840 -0.218 0.000 0.817 91 L CB 0.324 42.299 42.059 -0.140 0.000 1.106 91 L HN 0.464 nan 8.230 nan 0.000 0.479 92 P HA 0.085 nan 4.420 nan 0.000 0.271 92 P C 0.550 177.714 177.300 -0.226 0.000 1.220 92 P CA 0.567 63.438 63.100 -0.382 0.000 0.768 92 P CB 1.083 32.456 31.700 -0.545 0.000 0.848 93 G N 1.870 110.582 108.800 -0.146 0.000 2.253 93 G HA2 -0.169 3.802 3.960 0.017 0.000 0.209 93 G HA3 -0.169 3.802 3.960 0.017 0.000 0.209 93 G C 0.186 175.041 174.900 -0.074 0.000 0.997 93 G CA -0.206 44.839 45.100 -0.092 0.000 0.640 93 G HN 0.598 nan 8.290 nan 0.000 0.496 94 T N 1.187 115.689 114.554 -0.087 0.000 2.901 94 T HA 0.468 4.828 4.350 0.017 0.000 0.301 94 T C 0.029 174.694 174.700 -0.059 0.000 1.012 94 T CA 0.355 62.415 62.100 -0.067 0.000 1.135 94 T CB 1.904 70.727 68.868 -0.075 0.000 0.936 94 T HN 0.354 nan 8.240 nan 0.000 0.539 95 E N 2.288 122.461 120.200 -0.045 0.000 2.146 95 E HA 0.401 4.761 4.350 0.017 0.000 0.282 95 E C -1.052 175.523 176.600 -0.040 0.000 0.989 95 E CA -0.622 55.755 56.400 -0.039 0.000 0.799 95 E CB 0.378 30.061 29.700 -0.029 0.000 1.088 95 E HN 0.208 nan 8.360 nan 0.000 0.397 96 L N 6.220 127.417 121.223 -0.045 0.000 2.334 96 L HA 0.415 4.765 4.340 0.017 0.000 0.272 96 L C -1.567 175.280 176.870 -0.038 0.000 1.020 96 L CA -2.409 52.403 54.840 -0.047 0.000 0.812 96 L CB 0.911 42.934 42.059 -0.060 0.000 1.264 96 L HN 0.535 nan 8.230 nan 0.000 0.439 97 P HA -0.134 nan 4.420 nan 0.000 0.213 97 P C 1.336 178.620 177.300 -0.027 0.000 1.176 97 P CA 1.627 64.712 63.100 -0.025 0.000 0.919 97 P CB 0.148 31.835 31.700 -0.022 0.000 0.791 98 G N 0.423 109.202 108.800 -0.034 0.000 2.701 98 G HA2 -0.183 3.787 3.960 0.017 0.000 0.215 98 G HA3 -0.183 3.787 3.960 0.017 0.000 0.215 98 G C 0.497 175.378 174.900 -0.032 0.000 1.297 98 G CA 0.134 45.214 45.100 -0.033 0.000 0.807 98 G HN 0.200 nan 8.290 nan 0.000 0.608 99 L N 2.398 123.598 121.223 -0.038 0.000 2.500 99 L HA 0.160 4.510 4.340 0.017 0.000 0.272 99 L C 1.973 178.823 176.870 -0.032 0.000 1.149 99 L CA 0.273 55.091 54.840 -0.036 0.000 0.897 99 L CB 1.115 43.149 42.059 -0.043 0.000 1.178 99 L HN 0.315 nan 8.230 nan 0.000 0.473 100 G N 3.629 112.413 108.800 -0.027 0.000 2.534 100 G HA2 -0.122 3.849 3.960 0.017 0.000 0.217 100 G HA3 -0.122 3.849 3.960 0.017 0.000 0.217 100 G C 0.598 175.483 174.900 -0.026 0.000 1.128 100 G CA -0.105 44.981 45.100 -0.023 0.000 0.784 100 G HN 0.634 nan 8.290 nan 0.000 0.542 101 Q N 0.546 120.328 119.800 -0.029 0.000 2.288 101 Q HA 0.379 4.730 4.340 0.017 0.000 0.258 101 Q C 0.138 176.115 176.000 -0.039 0.000 0.957 101 Q CA -0.230 55.554 55.803 -0.031 0.000 0.919 101 Q CB 1.590 30.309 28.738 -0.031 0.000 1.185 101 Q HN 0.175 nan 8.270 nan 0.000 0.408 102 K N 1.385 121.761 120.400 -0.039 0.000 2.380 102 K HA 0.118 4.448 4.320 0.017 0.000 0.267 102 K C -0.595 175.968 176.600 -0.061 0.000 0.990 102 K CA -0.314 55.944 56.287 -0.048 0.000 0.946 102 K CB 0.588 33.061 32.500 -0.045 0.000 0.937 102 K HN 0.395 nan 8.250 nan 0.000 0.491 103 V N 2.654 122.523 119.914 -0.075 0.000 2.614 103 V HA 0.323 4.453 4.120 0.017 0.000 0.291 103 V C 0.912 176.936 176.094 -0.117 0.000 1.049 103 V CA 0.479 62.722 62.300 -0.096 0.000 1.038 103 V CB 0.991 32.748 31.823 -0.111 0.000 0.980 103 V HN 1.007 nan 8.190 nan 0.000 0.481 104 G N 3.130 111.858 108.800 -0.120 0.000 2.975 104 G HA2 0.498 4.468 3.960 0.017 0.000 0.291 104 G HA3 0.498 4.468 3.960 0.017 0.000 0.291 104 G C -1.110 173.701 174.900 -0.147 0.000 1.334 104 G CA -0.452 44.569 45.100 -0.133 0.000 0.843 104 G HN 0.522 nan 8.290 nan 0.000 0.548 105 E N 0.506 120.643 120.200 -0.105 0.000 2.028 105 E HA 0.348 4.708 4.350 0.017 0.000 0.266 105 E C -0.348 176.251 176.600 -0.002 0.000 0.962 105 E CA -0.223 56.156 56.400 -0.035 0.000 0.784 105 E CB 0.512 30.242 29.700 0.050 0.000 1.114 105 E HN 0.261 nan 8.360 nan 0.000 0.414 106 R N 1.210 121.707 120.500 -0.006 0.000 2.604 106 R HA 0.426 4.777 4.340 0.017 0.000 0.287 106 R C -0.573 175.733 176.300 0.010 0.000 0.970 106 R CA -0.805 55.293 56.100 -0.003 0.000 0.946 106 R CB 1.729 32.020 30.300 -0.015 0.000 1.127 106 R HN 0.124 nan 8.270 nan 0.000 0.473 107 V N 3.656 123.575 119.914 0.008 0.000 2.461 107 V HA 0.088 4.218 4.120 0.017 0.000 0.275 107 V C 0.673 176.768 176.094 0.001 0.000 1.047 107 V CA 0.191 62.496 62.300 0.008 0.000 0.955 107 V CB 1.083 32.910 31.823 0.006 0.000 0.988 107 V HN 0.702 nan 8.190 nan 0.000 0.471 108 I N 2.430 123.001 120.570 0.001 0.000 2.900 108 I HA 0.158 4.339 4.170 0.017 0.000 0.251 108 I C 1.031 177.145 176.117 -0.005 0.000 1.102 108 I CA 0.962 62.259 61.300 -0.004 0.000 1.457 108 I CB 0.404 38.401 38.000 -0.004 0.000 1.285 108 I HN 0.552 nan 8.210 nan 0.000 0.459 109 Q N 0.062 119.860 119.800 -0.004 0.000 3.712 109 Q HA 0.322 4.672 4.340 0.017 0.000 0.242 109 Q C 0.138 176.134 176.000 -0.006 0.000 0.837 109 Q CA 0.545 56.345 55.803 -0.005 0.000 0.826 109 Q CB 1.256 29.991 28.738 -0.005 0.000 1.529 109 Q HN 0.565 nan 8.270 nan 0.000 0.405 110 G N -0.103 108.694 108.800 -0.006 0.000 2.195 110 G HA2 -0.261 3.710 3.960 0.017 0.000 0.246 110 G HA3 -0.261 3.710 3.960 0.017 0.000 0.246 110 G C -0.073 174.821 174.900 -0.010 0.000 0.984 110 G CA 0.337 45.432 45.100 -0.009 0.000 0.633 110 G HN 0.535 nan 8.290 nan 0.000 0.525 111 V N 1.619 121.529 119.914 -0.006 0.000 2.656 111 V HA 0.826 4.956 4.120 0.017 0.000 0.307 111 V C 0.122 176.220 176.094 0.007 0.000 1.051 111 V CA -0.632 61.666 62.300 -0.003 0.000 0.893 111 V CB 1.487 33.307 31.823 -0.004 0.000 0.999 111 V HN 0.671 nan 8.190 nan 0.000 0.426 112 R N 4.039 124.549 120.500 0.016 0.000 2.196 112 R HA 0.539 4.890 4.340 0.017 0.000 0.340 112 R C -0.186 176.152 176.300 0.062 0.000 1.043 112 R CA -0.153 55.969 56.100 0.037 0.000 0.883 112 R CB 1.282 31.609 30.300 0.045 0.000 1.078 112 R HN 0.597 nan 8.270 nan 0.000 0.462 113 S N 3.389 119.123 115.700 0.057 0.000 2.481 113 S HA 0.046 4.526 4.470 0.017 0.000 0.276 113 S C 0.494 175.170 174.600 0.125 0.000 1.247 113 S CA -0.717 57.524 58.200 0.068 0.000 1.053 113 S CB 0.057 63.271 63.200 0.023 0.000 0.925 113 S HN 0.602 nan 8.310 nan 0.000 0.491 114 F N 5.157 125.092 119.950 -0.025 0.000 2.234 114 F HA 0.207 4.744 4.527 0.017 0.000 0.299 114 F C 1.440 177.225 175.800 -0.025 0.000 1.087 114 F CA 1.421 59.407 58.000 -0.023 0.000 1.340 114 F CB -0.337 38.650 39.000 -0.022 0.000 1.031 114 F HN 0.686 nan 8.300 nan 0.000 0.500 115 G N -1.088 107.656 108.800 -0.094 0.000 3.319 115 G HA2 0.501 4.471 3.960 0.017 0.000 0.158 115 G HA3 0.501 4.471 3.960 0.017 0.000 0.158 115 G C -1.064 173.784 174.900 -0.086 0.000 1.205 115 G CA -0.038 44.952 45.100 -0.183 0.000 1.252 115 G HN 0.144 nan 8.290 nan 0.000 0.668 116 M N -1.244 118.310 119.600 -0.078 0.000 2.484 116 M HA 0.717 5.207 4.480 0.017 0.000 0.292 116 M C -0.785 175.469 176.300 -0.076 0.000 1.123 116 M CA -0.887 54.373 55.300 -0.067 0.000 0.910 116 M CB 1.541 34.097 32.600 -0.073 0.000 1.782 116 M HN 1.103 nan 8.290 nan 0.000 0.512 117 A N 2.871 125.642 122.820 -0.080 0.000 2.287 117 A HA 0.927 5.257 4.320 0.017 0.000 0.273 117 A C -0.656 176.858 177.584 -0.117 0.000 1.091 117 A CA -0.584 51.391 52.037 -0.103 0.000 0.817 117 A CB 0.491 19.422 19.000 -0.115 0.000 1.069 117 A HN 0.815 nan 8.150 nan 0.000 0.492 118 L N 0.508 121.648 121.223 -0.139 0.000 2.323 118 L HA 0.610 4.960 4.340 0.017 0.000 0.265 118 L C 0.561 177.331 176.870 -0.167 0.000 1.012 118 L CA -0.746 54.007 54.840 -0.146 0.000 0.820 118 L CB 2.047 44.020 42.059 -0.143 0.000 1.334 118 L HN 0.812 nan 8.230 nan 0.000 0.427 119 S N -0.367 115.234 115.700 -0.164 0.000 2.693 119 S HA 0.507 4.987 4.470 0.017 0.000 0.276 119 S C -2.164 172.337 174.600 -0.166 0.000 1.192 119 S CA -1.227 56.869 58.200 -0.174 0.000 0.994 119 S CB 1.585 64.652 63.200 -0.222 0.000 1.012 119 S HN 0.427 nan 8.310 nan 0.000 0.550 120 P HA 0.016 nan 4.420 nan 0.000 0.217 120 P C 1.568 178.758 177.300 -0.183 0.000 1.151 120 P CA 0.830 63.799 63.100 -0.219 0.000 0.828 120 P CB 0.002 31.610 31.700 -0.152 0.000 0.788 121 R N 0.523 120.959 120.500 -0.105 0.000 2.091 121 R HA -0.173 4.178 4.340 0.017 0.000 0.238 121 R C 2.104 178.346 176.300 -0.096 0.000 1.136 121 R CA 1.711 57.765 56.100 -0.077 0.000 0.959 121 R CB -0.463 29.796 30.300 -0.067 0.000 0.856 121 R HN 0.212 nan 8.270 nan 0.000 0.437 122 E N -0.242 119.886 120.200 -0.121 0.000 2.072 122 E HA -0.183 4.177 4.350 0.017 0.000 0.190 122 E C 1.745 178.271 176.600 -0.123 0.000 0.982 122 E CA 0.954 57.286 56.400 -0.113 0.000 0.803 122 E CB -0.080 29.549 29.700 -0.119 0.000 0.755 122 E HN 0.196 nan 8.360 nan 0.000 0.453 123 L N -0.231 120.891 121.223 -0.168 0.000 2.395 123 L HA 0.108 4.459 4.340 0.017 0.000 0.218 123 L C 1.346 178.113 176.870 -0.171 0.000 1.130 123 L CA 1.789 56.510 54.840 -0.199 0.000 0.826 123 L CB -0.077 41.801 42.059 -0.302 0.000 0.941 123 L HN 0.267 nan 8.230 nan 0.000 0.451 124 G N -1.468 107.248 108.800 -0.141 0.000 2.141 124 G HA2 -0.266 3.705 3.960 0.017 0.000 0.242 124 G HA3 -0.266 3.705 3.960 0.017 0.000 0.242 124 G C 0.885 175.772 174.900 -0.022 0.000 0.982 124 G CA 0.779 45.841 45.100 -0.062 0.000 0.662 124 G HN 0.810 nan 8.290 nan 0.000 0.527 125 V N -2.231 117.566 119.914 -0.196 0.000 3.406 125 V HA 0.660 4.790 4.120 0.017 0.000 0.263 125 V C 1.140 177.088 176.094 -0.244 0.000 1.172 125 V CA 1.421 63.596 62.300 -0.209 0.000 1.140 125 V CB 0.261 31.596 31.823 -0.813 0.000 0.784 125 V HN 1.657 nan 8.190 nan 0.000 0.467 126 G N -0.472 108.178 108.800 -0.250 0.000 2.645 126 G HA2 0.464 4.434 3.960 0.017 0.000 0.292 126 G HA3 0.464 4.434 3.960 0.017 0.000 0.292 126 G C -0.288 174.648 174.900 0.060 0.000 1.415 126 G CA 0.260 45.332 45.100 -0.047 0.000 0.785 126 G HN 0.020 nan 8.290 nan 0.000 0.483 127 E N -1.195 119.104 120.200 0.164 0.000 2.250 127 E HA 0.034 4.394 4.350 0.017 0.000 0.192 127 E C 1.620 178.332 176.600 0.187 0.000 0.986 127 E CA 0.246 56.732 56.400 0.143 0.000 0.849 127 E CB -0.131 29.658 29.700 0.147 0.000 0.797 127 E HN 0.447 nan 8.360 nan 0.000 0.482 128 Y N 0.935 121.286 120.300 0.085 0.000 1.844 128 Y HA -0.343 4.217 4.550 0.017 0.000 0.223 128 Y C 2.067 177.985 175.900 0.029 0.000 1.102 128 Y CA 2.421 60.564 58.100 0.072 0.000 1.022 128 Y CB -1.033 37.497 38.460 0.116 0.000 0.874 128 Y HN 0.237 nan 8.280 nan 0.000 0.522 129 G N -1.848 106.780 108.800 -0.287 0.000 2.196 129 G HA2 -0.282 3.688 3.960 0.017 0.000 0.268 129 G HA3 -0.282 3.688 3.960 0.017 0.000 0.268 129 G C 1.136 175.661 174.900 -0.624 0.000 0.975 129 G CA 0.921 45.786 45.100 -0.391 0.000 0.648 129 G HN 1.222 nan 8.290 nan 0.000 0.538 130 G N -0.244 107.745 108.800 -1.353 0.000 3.448 130 G HA2 0.664 4.635 3.960 0.017 0.000 0.261 130 G HA3 0.664 4.635 3.960 0.017 0.000 0.261 130 G C 0.597 175.138 174.900 -0.598 0.000 1.173 130 G CA 1.001 45.602 45.100 -0.832 0.000 0.835 130 G HN 1.659 nan 8.290 nan 0.000 0.534 131 G N -0.727 107.724 108.800 -0.582 0.000 2.338 131 G HA2 0.364 4.335 3.960 0.017 0.000 0.295 131 G HA3 0.364 4.335 3.960 0.017 0.000 0.295 131 G C -0.844 173.963 174.900 -0.156 0.000 1.461 131 G CA -1.105 43.878 45.100 -0.195 0.000 0.817 131 G HN 0.209 nan 8.290 nan 0.000 0.556 132 L N -0.077 121.089 121.223 -0.095 0.000 2.466 132 L HA 0.472 4.822 4.340 0.017 0.000 0.257 132 L C 0.497 177.299 176.870 -0.113 0.000 1.189 132 L CA -0.681 54.083 54.840 -0.128 0.000 0.813 132 L CB 0.611 42.580 42.059 -0.149 0.000 1.118 132 L HN 0.372 nan 8.230 nan 0.000 0.471 133 L N 1.309 122.403 121.223 -0.216 0.000 2.397 133 L HA 0.181 4.532 4.340 0.017 0.000 0.271 133 L C 0.088 176.650 176.870 -0.514 0.000 1.148 133 L CA 0.272 54.949 54.840 -0.272 0.000 0.825 133 L CB 0.506 42.332 42.059 -0.388 0.000 1.117 133 L HN 0.551 nan 8.230 nan 0.000 0.456 134 E N 2.582 122.583 120.200 -0.331 0.000 2.176 134 E HA 0.512 4.872 4.350 0.017 0.000 0.267 134 E C -1.393 175.181 176.600 -0.043 0.000 0.893 134 E CA -0.545 55.709 56.400 -0.243 0.000 0.761 134 E CB 1.583 31.255 29.700 -0.048 0.000 1.133 134 E HN 0.177 nan 8.360 nan 0.000 0.409 135 F N 1.717 121.739 119.950 0.119 0.000 2.611 135 F HA 0.433 4.970 4.527 0.017 0.000 0.324 135 F C -2.236 173.652 175.800 0.147 0.000 1.061 135 F CA -3.155 54.944 58.000 0.164 0.000 0.954 135 F CB 0.584 39.778 39.000 0.322 0.000 1.301 135 F HN 0.208 nan 8.300 nan 0.000 0.482 136 P HA 0.044 nan 4.420 nan 0.000 0.263 136 P C 0.789 178.262 177.300 0.289 0.000 1.195 136 P CA 0.321 63.535 63.100 0.190 0.000 0.762 136 P CB 0.515 32.266 31.700 0.085 0.000 0.799 137 E N 2.881 123.216 120.200 0.225 0.000 2.233 137 E HA -0.274 4.087 4.350 0.017 0.000 0.199 137 E C 0.309 177.127 176.600 0.363 0.000 1.004 137 E CA 1.816 58.373 56.400 0.262 0.000 0.819 137 E CB -0.010 29.771 29.700 0.134 0.000 0.738 137 E HN 0.564 nan 8.360 nan 0.000 0.478 138 D N -1.670 118.861 120.400 0.218 0.000 2.402 138 D HA 0.215 4.865 4.640 0.017 0.000 0.216 138 D C 1.336 177.607 176.300 -0.048 0.000 1.128 138 D CA 0.442 54.514 54.000 0.119 0.000 0.833 138 D CB 0.533 41.369 40.800 0.059 0.000 0.971 138 D HN 0.192 nan 8.370 nan 0.000 0.503 139 A N 0.059 122.796 122.820 -0.138 0.000 1.903 139 A HA 0.026 4.357 4.320 0.017 0.000 0.219 139 A C 0.629 177.896 177.584 -0.528 0.000 1.191 139 A CA 1.097 52.919 52.037 -0.359 0.000 0.638 139 A CB -0.271 18.480 19.000 -0.414 0.000 0.823 139 A HN 0.326 nan 8.150 nan 0.000 0.451 140 L N -2.556 118.098 121.223 -0.948 0.000 2.322 140 L HA 0.469 4.819 4.340 0.017 0.000 0.252 140 L C -2.621 174.097 176.870 -0.252 0.000 1.055 140 L CA -1.993 52.493 54.840 -0.590 0.000 0.849 140 L CB 1.729 43.397 42.059 -0.652 0.000 1.446 140 L HN -0.090 nan 8.230 nan 0.000 0.416 141 P HA 0.214 nan 4.420 nan 0.000 0.280 141 P C -2.622 174.800 177.300 0.203 0.000 1.300 141 P CA -1.468 61.676 63.100 0.074 0.000 0.785 141 P CB 0.017 31.739 31.700 0.036 0.000 0.874 142 P HA -0.132 nan 4.420 nan 0.000 0.257 142 P C 1.230 178.647 177.300 0.195 0.000 1.144 142 P CA 1.689 64.971 63.100 0.304 0.000 0.761 142 P CB -0.313 31.485 31.700 0.165 0.000 0.734 143 G N 2.313 111.234 108.800 0.202 0.000 2.349 143 G HA2 -0.227 3.744 3.960 0.017 0.000 0.213 143 G HA3 -0.227 3.744 3.960 0.017 0.000 0.213 143 G C 0.119 175.103 174.900 0.139 0.000 1.044 143 G CA 0.099 45.282 45.100 0.137 0.000 0.633 143 G HN 0.751 nan 8.290 nan 0.000 0.506 144 T N 2.614 117.257 114.554 0.148 0.000 2.849 144 T HA 0.422 4.782 4.350 0.017 0.000 0.289 144 T C -2.165 172.607 174.700 0.120 0.000 1.010 144 T CA -0.062 62.102 62.100 0.106 0.000 1.161 144 T CB 0.918 69.827 68.868 0.068 0.000 0.989 144 T HN 0.345 nan 8.240 nan 0.000 0.523 145 P HA 0.059 nan 4.420 nan 0.000 0.266 145 P C 0.894 178.249 177.300 0.092 0.000 1.195 145 P CA -0.590 62.559 63.100 0.081 0.000 0.768 145 P CB 0.418 32.153 31.700 0.058 0.000 0.838 146 L N 3.766 125.048 121.223 0.098 0.000 2.056 146 L HA -0.178 4.172 4.340 0.017 0.000 0.207 146 L C 2.168 179.107 176.870 0.115 0.000 1.078 146 L CA 2.275 57.179 54.840 0.106 0.000 0.749 146 L CB -1.813 40.291 42.059 0.075 0.000 0.901 146 L HN 0.413 nan 8.230 nan 0.000 0.433 147 S N -1.318 114.438 115.700 0.094 0.000 2.428 147 S HA -0.321 4.159 4.470 0.017 0.000 0.240 147 S C 1.861 176.534 174.600 0.121 0.000 1.036 147 S CA 1.502 59.777 58.200 0.124 0.000 1.009 147 S CB -0.783 62.470 63.200 0.088 0.000 0.803 147 S HN 0.576 nan 8.310 nan 0.000 0.486 148 E N 1.504 121.756 120.200 0.085 0.000 2.118 148 E HA -0.063 4.297 4.350 0.017 0.000 0.195 148 E C 1.900 178.532 176.600 0.052 0.000 0.992 148 E CA 1.314 57.749 56.400 0.059 0.000 0.804 148 E CB -0.275 29.449 29.700 0.039 0.000 0.741 148 E HN 0.759 nan 8.360 nan 0.000 0.458 149 A N -1.021 121.840 122.820 0.068 0.000 2.431 149 A HA 0.061 4.392 4.320 0.017 0.000 0.239 149 A C -0.028 177.614 177.584 0.096 0.000 1.230 149 A CA -0.376 51.682 52.037 0.034 0.000 0.928 149 A CB 0.366 19.347 19.000 -0.033 0.000 1.006 149 A HN 0.337 nan 8.150 nan 0.000 0.520 150 W N 2.188 123.467 121.300 -0.035 0.000 2.423 150 W HA 0.410 5.080 4.660 0.017 0.000 0.286 150 W C -3.459 173.097 176.519 0.061 0.000 1.001 150 W CA -2.915 54.419 57.345 -0.017 0.000 1.643 150 W CB 1.337 30.739 29.460 -0.097 0.000 1.593 150 W HN 0.037 nan 8.180 nan 0.000 0.403 151 P HA 0.109 nan 4.420 nan 0.000 0.277 151 P C 0.141 177.682 177.300 0.401 0.000 1.240 151 P CA 0.256 63.524 63.100 0.279 0.000 0.798 151 P CB 1.146 32.945 31.700 0.164 0.000 0.979 152 E N 0.632 121.021 120.200 0.316 0.000 2.442 152 E HA 0.105 4.465 4.350 0.017 0.000 0.260 152 E C -0.086 176.632 176.600 0.197 0.000 1.148 152 E CA 0.084 56.658 56.400 0.290 0.000 0.976 152 E CB 0.335 30.126 29.700 0.152 0.000 0.967 152 E HN 0.479 nan 8.360 nan 0.000 0.454 153 E N -0.050 120.169 120.200 0.032 0.000 2.433 153 E HA 0.393 4.753 4.350 0.017 0.000 0.273 153 E C -1.868 174.702 176.600 -0.050 0.000 0.950 153 E CA -0.864 55.546 56.400 0.016 0.000 0.796 153 E CB 1.935 31.638 29.700 0.004 0.000 1.330 153 E HN 0.229 nan 8.360 nan 0.000 0.455 154 V N 2.109 122.037 119.914 0.022 0.000 2.409 154 V HA 0.545 4.676 4.120 0.017 0.000 0.291 154 V C -0.735 175.379 176.094 0.032 0.000 1.020 154 V CA -0.864 61.426 62.300 -0.017 0.000 0.848 154 V CB 1.375 33.145 31.823 -0.088 0.000 0.990 154 V HN 0.559 nan 8.190 nan 0.000 0.430 155 V N 6.009 125.917 119.914 -0.010 0.000 2.495 155 V HA 0.521 4.651 4.120 0.017 0.000 0.298 155 V C -0.457 175.640 176.094 0.004 0.000 1.031 155 V CA -0.627 61.680 62.300 0.013 0.000 0.871 155 V CB 1.811 33.632 31.823 -0.002 0.000 0.988 155 V HN 0.636 nan 8.190 nan 0.000 0.432 156 L N 3.606 124.836 121.223 0.012 0.000 2.282 156 L HA 0.442 4.793 4.340 0.017 0.000 0.288 156 L C 0.377 177.243 176.870 -0.007 0.000 1.033 156 L CA 0.197 55.038 54.840 0.001 0.000 0.807 156 L CB 1.132 43.195 42.059 0.006 0.000 1.209 156 L HN 0.576 nan 8.230 nan 0.000 0.423 157 D N 3.441 123.840 120.400 -0.002 0.000 2.422 157 D HA 0.202 4.852 4.640 0.017 0.000 0.227 157 D C -0.654 175.649 176.300 0.006 0.000 1.190 157 D CA -0.294 53.706 54.000 0.000 0.000 0.905 157 D CB 0.935 41.738 40.800 0.005 0.000 1.034 157 D HN 0.187 nan 8.370 nan 0.000 0.507 158 L N 2.495 123.718 121.223 -0.001 0.000 2.375 158 L HA 0.283 4.634 4.340 0.017 0.000 0.268 158 L C 0.180 177.079 176.870 0.048 0.000 1.058 158 L CA -0.342 54.509 54.840 0.020 0.000 0.803 158 L CB 1.591 43.636 42.059 -0.022 0.000 1.212 158 L HN 0.252 nan 8.230 nan 0.000 0.451 159 E N 2.341 122.601 120.200 0.099 0.000 2.102 159 E HA 0.380 4.740 4.350 0.017 0.000 0.263 159 E C -1.777 174.944 176.600 0.203 0.000 0.894 159 E CA -0.591 55.875 56.400 0.111 0.000 0.746 159 E CB 1.173 30.920 29.700 0.079 0.000 1.129 159 E HN 0.401 nan 8.360 nan 0.000 0.416 160 V N 4.858 124.881 119.914 0.183 0.000 2.333 160 V HA 0.165 4.295 4.120 0.017 0.000 0.274 160 V C 0.412 176.600 176.094 0.157 0.000 1.028 160 V CA -0.697 61.753 62.300 0.249 0.000 0.851 160 V CB 0.818 32.743 31.823 0.170 0.000 1.000 160 V HN 0.725 nan 8.190 nan 0.000 0.456 161 T N 5.940 120.560 114.554 0.110 0.000 2.903 161 T HA 0.115 4.475 4.350 0.017 0.000 0.314 161 T C -1.532 173.197 174.700 0.049 0.000 1.078 161 T CA -0.880 61.245 62.100 0.042 0.000 1.114 161 T CB 0.494 69.344 68.868 -0.031 0.000 0.987 161 T HN 0.480 nan 8.240 nan 0.000 0.548 162 P HA -0.085 nan 4.420 nan 0.000 0.225 162 P C 1.269 178.576 177.300 0.012 0.000 1.148 162 P CA 0.642 63.753 63.100 0.018 0.000 0.779 162 P CB -0.064 31.647 31.700 0.018 0.000 0.780 163 N N -0.623 118.084 118.700 0.012 0.000 2.467 163 N HA -0.069 4.681 4.740 0.017 0.000 0.184 163 N C 0.518 176.042 175.510 0.023 0.000 1.106 163 N CA 0.523 53.579 53.050 0.009 0.000 0.892 163 N CB -0.187 38.299 38.487 -0.003 0.000 0.969 163 N HN -0.038 nan 8.380 nan 0.000 0.454 164 R N 1.095 121.625 120.500 0.049 0.000 3.026 164 R HA 0.293 4.643 4.340 0.017 0.000 0.317 164 R C -1.720 174.624 176.300 0.074 0.000 1.278 164 R CA -1.872 54.285 56.100 0.095 0.000 1.407 164 R CB 0.595 31.020 30.300 0.209 0.000 1.368 164 R HN 0.215 nan 8.270 nan 0.000 0.612 165 P HA -0.176 nan 4.420 nan 0.000 0.219 165 P C 0.589 177.876 177.300 -0.022 0.000 1.146 165 P CA 1.186 64.277 63.100 -0.016 0.000 0.808 165 P CB 0.271 31.957 31.700 -0.023 0.000 0.779 166 D N 0.557 120.967 120.400 0.016 0.000 2.310 166 D HA -0.104 4.546 4.640 0.017 0.000 0.212 166 D C 1.572 177.837 176.300 -0.059 0.000 0.965 166 D CA 0.950 54.955 54.000 0.007 0.000 0.879 166 D CB -0.710 40.167 40.800 0.129 0.000 0.921 166 D HN 0.156 nan 8.370 nan 0.000 0.510 167 A N 0.382 123.180 122.820 -0.038 0.000 2.238 167 A HA 0.183 4.513 4.320 0.017 0.000 0.208 167 A C 2.139 179.631 177.584 -0.153 0.000 1.177 167 A CA -0.185 51.779 52.037 -0.123 0.000 0.804 167 A CB -0.585 18.372 19.000 -0.072 0.000 0.823 167 A HN 0.231 nan 8.150 nan 0.000 0.482 168 L N -0.305 120.849 121.223 -0.115 0.000 2.627 168 L HA 0.154 4.504 4.340 0.017 0.000 0.233 168 L C 1.087 177.851 176.870 -0.176 0.000 1.144 168 L CA 0.124 54.895 54.840 -0.115 0.000 0.892 168 L CB -0.058 41.949 42.059 -0.087 0.000 1.039 168 L HN 0.415 nan 8.230 nan 0.000 0.442 169 G N -0.944 107.724 108.800 -0.220 0.000 2.530 169 G HA2 0.437 4.407 3.960 0.017 0.000 0.316 169 G HA3 0.437 4.407 3.960 0.017 0.000 0.316 169 G C 0.580 175.265 174.900 -0.359 0.000 1.298 169 G CA -0.580 44.351 45.100 -0.283 0.000 0.948 169 G HN -0.063 nan 8.290 nan 0.000 0.486 170 L N 1.902 122.851 121.223 -0.456 0.000 2.079 170 L HA -0.091 4.259 4.340 0.017 0.000 0.210 170 L C 2.697 179.263 176.870 -0.506 0.000 1.081 170 L CA 0.844 55.394 54.840 -0.484 0.000 0.752 170 L CB -0.174 41.529 42.059 -0.593 0.000 0.896 170 L HN 0.494 nan 8.230 nan 0.000 0.433 171 L N -0.192 120.645 121.223 -0.643 0.000 2.275 171 L HA -0.124 4.226 4.340 0.017 0.000 0.215 171 L C 2.403 179.008 176.870 -0.442 0.000 1.119 171 L CA 1.227 55.645 54.840 -0.703 0.000 0.790 171 L CB -0.624 41.030 42.059 -0.674 0.000 0.919 171 L HN 0.297 nan 8.230 nan 0.000 0.443 172 G N 0.085 108.667 108.800 -0.364 0.000 2.404 172 G HA2 -0.241 3.729 3.960 0.017 0.000 0.215 172 G HA3 -0.241 3.729 3.960 0.017 0.000 0.215 172 G C 1.524 176.286 174.900 -0.229 0.000 1.174 172 G CA 0.559 45.495 45.100 -0.273 0.000 0.780 172 G HN 0.310 nan 8.290 nan 0.000 0.537 173 L N 1.051 122.103 121.223 -0.284 0.000 2.017 173 L HA -0.031 4.319 4.340 0.017 0.000 0.208 173 L C 3.410 180.160 176.870 -0.199 0.000 1.073 173 L CA 1.191 55.859 54.840 -0.287 0.000 0.745 173 L CB -0.607 41.232 42.059 -0.367 0.000 0.894 173 L HN 0.262 nan 8.230 nan 0.000 0.432 174 A N 0.202 122.896 122.820 -0.211 0.000 1.903 174 A HA -0.321 4.010 4.320 0.017 0.000 0.219 174 A C 2.421 179.963 177.584 -0.069 0.000 1.191 174 A CA 2.316 54.273 52.037 -0.133 0.000 0.638 174 A CB -0.691 18.224 19.000 -0.143 0.000 0.823 174 A HN 0.328 nan 8.150 nan 0.000 0.451 175 R N -0.608 119.826 120.500 -0.111 0.000 2.117 175 R HA -0.175 4.175 4.340 0.017 0.000 0.243 175 R C 1.581 177.919 176.300 0.064 0.000 1.143 175 R CA 1.921 57.994 56.100 -0.044 0.000 0.968 175 R CB -0.336 29.906 30.300 -0.097 0.000 0.863 175 R HN 0.586 nan 8.270 nan 0.000 0.444 176 D N -0.561 119.854 120.400 0.026 0.000 2.123 176 D HA -0.064 4.586 4.640 0.017 0.000 0.200 176 D C 1.694 178.043 176.300 0.082 0.000 0.976 176 D CA 0.908 54.947 54.000 0.065 0.000 0.831 176 D CB 0.054 40.894 40.800 0.066 0.000 0.974 176 D HN 0.154 nan 8.370 nan 0.000 0.469 177 L N 0.053 121.302 121.223 0.045 0.000 2.083 177 L HA -0.187 4.163 4.340 0.017 0.000 0.209 177 L C 2.472 179.471 176.870 0.215 0.000 1.083 177 L CA 1.141 56.021 54.840 0.066 0.000 0.752 177 L CB -0.608 41.351 42.059 -0.167 0.000 0.899 177 L HN 0.292 nan 8.230 nan 0.000 0.433 178 H N 0.653 119.773 119.070 0.083 0.000 2.352 178 H HA -0.191 4.375 4.556 0.017 0.000 0.299 178 H C 2.116 177.493 175.328 0.081 0.000 1.097 178 H CA 1.585 57.693 56.048 0.099 0.000 1.311 178 H CB 0.330 30.116 29.762 0.039 0.000 1.377 178 H HN 0.349 nan 8.280 nan 0.000 0.504 179 A N 1.170 124.033 122.820 0.071 0.000 2.024 179 A HA -0.099 4.231 4.320 0.017 0.000 0.220 179 A C 2.677 180.238 177.584 -0.039 0.000 1.164 179 A CA 1.072 53.110 52.037 0.000 0.000 0.643 179 A CB -0.729 18.300 19.000 0.049 0.000 0.806 179 A HN 0.460 nan 8.150 nan 0.000 0.451 180 L N -1.871 119.368 121.223 0.026 0.000 2.478 180 L HA 0.117 4.467 4.340 0.017 0.000 0.223 180 L C 1.709 178.537 176.870 -0.071 0.000 1.140 180 L CA 0.723 55.576 54.840 0.023 0.000 0.842 180 L CB -0.079 42.069 42.059 0.148 0.000 0.953 180 L HN 0.613 nan 8.230 nan 0.000 0.452 181 G N -2.221 106.506 108.800 -0.122 0.000 2.205 181 G HA2 -0.225 3.745 3.960 0.017 0.000 0.180 181 G HA3 -0.225 3.745 3.960 0.017 0.000 0.180 181 G C -0.121 174.655 174.900 -0.207 0.000 1.004 181 G CA -0.741 44.235 45.100 -0.206 0.000 0.670 181 G HN 0.111 nan 8.290 nan 0.000 0.496 182 Y N 1.215 121.445 120.300 -0.117 0.000 2.301 182 Y HA 0.582 5.142 4.550 0.017 0.000 0.328 182 Y C 1.005 176.915 175.900 0.017 0.000 1.242 182 Y CA 0.331 58.410 58.100 -0.036 0.000 1.323 182 Y CB 1.230 39.694 38.460 0.007 0.000 1.266 182 Y HN 0.379 nan 8.280 nan 0.000 0.527 183 A N 3.391 126.362 122.820 0.251 0.000 2.362 183 A HA 0.461 4.792 4.320 0.017 0.000 0.276 183 A C -1.046 176.690 177.584 0.255 0.000 1.153 183 A CA -0.423 51.755 52.037 0.235 0.000 0.813 183 A CB -0.034 19.046 19.000 0.134 0.000 1.081 183 A HN 0.657 nan 8.150 nan 0.000 0.507 184 L N 3.513 124.906 121.223 0.283 0.000 2.309 184 L HA 0.614 4.964 4.340 0.017 0.000 0.282 184 L C -0.590 176.296 176.870 0.027 0.000 1.036 184 L CA -0.029 54.862 54.840 0.084 0.000 0.806 184 L CB 1.970 43.922 42.059 -0.179 0.000 1.220 184 L HN 0.361 nan 8.230 nan 0.000 0.429 185 V N 4.571 124.518 119.914 0.055 0.000 2.276 185 V HA 0.325 4.455 4.120 0.017 0.000 0.268 185 V C 0.051 176.205 176.094 0.101 0.000 1.032 185 V CA -0.670 61.663 62.300 0.055 0.000 0.810 185 V CB 0.680 32.528 31.823 0.042 0.000 1.060 185 V HN 0.766 nan 8.190 nan 0.000 0.446 186 E N 5.811 126.028 120.200 0.030 0.000 2.384 186 E HA 0.211 4.571 4.350 0.017 0.000 0.266 186 E C -2.039 174.600 176.600 0.065 0.000 1.012 186 E CA -1.228 55.187 56.400 0.025 0.000 0.901 186 E CB 0.819 30.494 29.700 -0.041 0.000 0.967 186 E HN 0.468 nan 8.360 nan 0.000 0.435 187 P HA 0.021 nan 4.420 nan 0.000 0.276 187 P C -1.332 175.998 177.300 0.051 0.000 1.235 187 P CA -0.209 62.956 63.100 0.108 0.000 0.772 187 P CB 0.664 32.482 31.700 0.197 0.000 0.871 188 E N 1.868 122.083 120.200 0.026 0.000 2.229 188 E HA 0.507 4.867 4.350 0.017 0.000 0.283 188 E C -0.586 176.022 176.600 0.013 0.000 1.030 188 E CA -1.061 55.345 56.400 0.011 0.000 0.836 188 E CB 0.828 30.527 29.700 -0.003 0.000 1.068 188 E HN 0.357 nan 8.360 nan 0.000 0.401 189 A N 3.536 126.364 122.820 0.014 0.000 2.621 189 A HA 0.564 4.894 4.320 0.017 0.000 0.329 189 A C 0.126 177.713 177.584 0.004 0.000 1.458 189 A CA -0.409 51.637 52.037 0.014 0.000 1.052 189 A CB -0.140 18.872 19.000 0.019 0.000 1.142 189 A HN 0.783 nan 8.150 nan 0.000 0.523 190 A N 2.128 124.947 122.820 -0.002 0.000 2.401 190 A HA 0.643 4.973 4.320 0.017 0.000 0.259 190 A C -0.548 177.030 177.584 -0.010 0.000 1.103 190 A CA -0.128 51.904 52.037 -0.008 0.000 0.789 190 A CB 0.325 19.316 19.000 -0.015 0.000 1.035 190 A HN 1.312 nan 8.150 nan 0.000 0.491 191 L N 1.653 122.871 121.223 -0.009 0.000 2.526 191 L HA 0.420 4.770 4.340 0.017 0.000 0.263 191 L C -0.557 176.307 176.870 -0.011 0.000 0.943 191 L CA -0.181 54.652 54.840 -0.012 0.000 0.859 191 L CB 1.972 44.028 42.059 -0.005 0.000 1.313 191 L HN 0.681 nan 8.230 nan 0.000 0.406 192 K N 3.815 124.202 120.400 -0.021 0.000 2.360 192 K HA 0.710 5.041 4.320 0.017 0.000 0.235 192 K C -0.561 176.030 176.600 -0.016 0.000 1.077 192 K CA -0.247 56.030 56.287 -0.017 0.000 1.035 192 K CB 0.825 33.310 32.500 -0.025 0.000 1.623 192 K HN 0.783 nan 8.250 nan 0.000 0.462 193 A N 3.074 125.896 122.820 0.003 0.000 2.271 193 A HA 0.379 4.709 4.320 0.017 0.000 0.288 193 A C -0.435 177.174 177.584 0.042 0.000 1.094 193 A CA -0.456 51.594 52.037 0.021 0.000 0.828 193 A CB 0.557 19.579 19.000 0.037 0.000 1.091 193 A HN 0.667 nan 8.150 nan 0.000 0.493 194 E N -0.211 120.036 120.200 0.079 0.000 2.244 194 E HA 0.520 4.880 4.350 0.017 0.000 0.266 194 E C 0.626 177.288 176.600 0.104 0.000 0.914 194 E CA -0.425 56.034 56.400 0.097 0.000 0.794 194 E CB 1.879 31.665 29.700 0.144 0.000 1.210 194 E HN 0.616 nan 8.360 nan 0.000 0.414 195 A N 2.309 125.177 122.820 0.080 0.000 1.940 195 A HA -0.108 4.222 4.320 0.017 0.000 0.219 195 A C 1.228 178.850 177.584 0.064 0.000 1.176 195 A CA 0.924 52.998 52.037 0.063 0.000 0.631 195 A CB -1.228 17.798 19.000 0.044 0.000 0.814 195 A HN 0.599 nan 8.150 nan 0.000 0.446 196 L N -1.565 119.702 121.223 0.075 0.000 2.621 196 L HA 0.149 4.499 4.340 0.017 0.000 0.313 196 L C -2.223 174.669 176.870 0.037 0.000 1.277 196 L CA -0.923 53.948 54.840 0.051 0.000 0.857 196 L CB -0.860 41.230 42.059 0.052 0.000 1.093 196 L HN 0.140 nan 8.230 nan 0.000 0.527 197 P HA 0.272 nan 4.420 nan 0.000 0.284 197 P C -0.800 176.384 177.300 -0.194 0.000 1.253 197 P CA -0.555 62.493 63.100 -0.088 0.000 0.800 197 P CB 1.150 32.794 31.700 -0.094 0.000 0.961 198 L N 5.236 126.269 121.223 -0.318 0.000 2.385 198 L HA 0.123 4.473 4.340 0.017 0.000 0.281 198 L C -0.938 175.473 176.870 -0.765 0.000 1.106 198 L CA -1.439 52.981 54.840 -0.701 0.000 0.856 198 L CB 0.279 41.803 42.059 -0.891 0.000 1.186 198 L HN 0.253 nan 8.230 nan 0.000 0.453 199 P HA -0.101 nan 4.420 nan 0.000 0.261 199 P C -0.557 176.673 177.300 -0.116 0.000 1.288 199 P CA 0.776 63.691 63.100 -0.309 0.000 0.751 199 P CB -0.422 31.142 31.700 -0.228 0.000 1.103 200 F N -2.772 117.038 119.950 -0.233 0.000 2.745 200 F HA 0.807 5.344 4.527 0.017 0.000 0.316 200 F C -1.128 174.600 175.800 -0.121 0.000 1.155 200 F CA -1.998 55.884 58.000 -0.197 0.000 0.937 200 F CB 0.464 39.344 39.000 -0.200 0.000 1.361 200 F HN -0.145 nan 8.300 nan 0.000 0.472 201 A N 0.789 123.649 122.820 0.067 0.000 2.387 201 A HA 0.907 5.238 4.320 0.017 0.000 0.303 201 A C -2.109 175.627 177.584 0.253 0.000 1.145 201 A CA -0.897 51.205 52.037 0.107 0.000 0.801 201 A CB 1.813 20.936 19.000 0.204 0.000 1.342 201 A HN 1.282 nan 8.150 nan 0.000 0.440 202 L N 0.156 121.524 121.223 0.242 0.000 2.410 202 L HA 0.767 5.118 4.340 0.017 0.000 0.270 202 L C -0.633 176.337 176.870 0.166 0.000 0.983 202 L CA -0.259 54.721 54.840 0.232 0.000 0.822 202 L CB 1.755 43.948 42.059 0.223 0.000 1.285 202 L HN 0.700 nan 8.230 nan 0.000 0.409 203 K N 4.435 124.903 120.400 0.114 0.000 2.613 203 K HA 0.602 4.933 4.320 0.017 0.000 0.248 203 K C -1.891 174.645 176.600 -0.107 0.000 0.959 203 K CA -0.625 55.655 56.287 -0.012 0.000 0.855 203 K CB 1.734 34.172 32.500 -0.104 0.000 1.143 203 K HN 0.506 nan 8.250 nan 0.000 0.437 204 V N 5.210 125.052 119.914 -0.120 0.000 2.288 204 V HA 0.130 4.260 4.120 0.017 0.000 0.266 204 V C 0.600 176.630 176.094 -0.106 0.000 1.048 204 V CA -0.274 61.931 62.300 -0.159 0.000 0.842 204 V CB 0.803 32.541 31.823 -0.143 0.000 1.064 204 V HN 0.905 nan 8.190 nan 0.000 0.472 205 E N 1.812 121.944 120.200 -0.113 0.000 2.427 205 E HA -0.044 4.316 4.350 0.017 0.000 0.196 205 E C 0.467 177.029 176.600 -0.063 0.000 1.028 205 E CA 0.430 56.775 56.400 -0.092 0.000 0.864 205 E CB 0.369 30.005 29.700 -0.107 0.000 0.813 205 E HN 0.611 nan 8.360 nan 0.000 0.514 206 D N -0.041 120.326 120.400 -0.055 0.000 2.443 206 D HA 0.069 4.720 4.640 0.017 0.000 0.281 206 D C -1.979 174.319 176.300 -0.003 0.000 1.210 206 D CA -1.954 52.031 54.000 -0.025 0.000 0.875 206 D CB 0.948 41.737 40.800 -0.018 0.000 1.125 206 D HN -0.104 nan 8.370 nan 0.000 0.503 207 P HA -0.106 nan 4.420 nan 0.000 0.225 207 P C 1.169 178.490 177.300 0.035 0.000 1.148 207 P CA 0.468 63.580 63.100 0.019 0.000 0.779 207 P CB 0.747 32.453 31.700 0.010 0.000 0.780 208 E N 0.666 120.883 120.200 0.028 0.000 2.047 208 E HA -0.105 4.255 4.350 0.017 0.000 0.191 208 E C 2.152 178.786 176.600 0.055 0.000 0.987 208 E CA 1.595 58.016 56.400 0.034 0.000 0.799 208 E CB -0.735 28.979 29.700 0.024 0.000 0.752 208 E HN 0.196 nan 8.360 nan 0.000 0.449 209 G N 0.196 109.034 108.800 0.062 0.000 2.464 209 G HA2 0.008 3.979 3.960 0.017 0.000 0.217 209 G HA3 0.008 3.979 3.960 0.017 0.000 0.217 209 G C 0.787 175.801 174.900 0.190 0.000 1.138 209 G CA 0.577 45.736 45.100 0.098 0.000 0.793 209 G HN 0.309 nan 8.290 nan 0.000 0.539 210 A N 0.858 123.776 122.820 0.163 0.000 3.165 210 A HA 0.622 4.952 4.320 0.017 0.000 0.331 210 A C -0.844 176.809 177.584 0.115 0.000 1.034 210 A CA -0.938 51.211 52.037 0.186 0.000 0.906 210 A CB 0.879 20.005 19.000 0.209 0.000 1.054 210 A HN 0.081 nan 8.150 nan 0.000 0.484 211 P HA -0.189 nan 4.420 nan 0.000 0.218 211 P C 0.199 177.586 177.300 0.146 0.000 1.154 211 P CA 1.702 64.856 63.100 0.090 0.000 0.872 211 P CB 0.053 31.797 31.700 0.074 0.000 0.790 212 H N -1.948 117.130 119.070 0.013 0.000 2.782 212 H HA 0.575 5.141 4.556 0.017 0.000 0.347 212 H C -1.833 173.519 175.328 0.040 0.000 1.038 212 H CA -1.457 54.605 56.048 0.025 0.000 1.255 212 H CB 0.494 30.253 29.762 -0.006 0.000 1.623 212 H HN -0.182 nan 8.280 nan 0.000 0.525 213 F N 3.838 123.763 119.950 -0.041 0.000 2.573 213 F HA 0.453 4.990 4.527 0.017 0.000 0.316 213 F C -0.825 174.901 175.800 -0.124 0.000 1.148 213 F CA -0.278 57.630 58.000 -0.153 0.000 0.940 213 F CB 1.741 40.711 39.000 -0.049 0.000 1.214 213 F HN 0.559 nan 8.300 nan 0.000 0.448 214 T N 4.496 118.769 114.554 -0.469 0.000 2.907 214 T HA 0.799 5.159 4.350 0.017 0.000 0.292 214 T C -1.394 173.211 174.700 -0.159 0.000 1.043 214 T CA -0.811 61.174 62.100 -0.191 0.000 1.003 214 T CB 1.850 70.599 68.868 -0.197 0.000 1.084 214 T HN 0.596 nan 8.240 nan 0.000 0.483 215 L N 1.591 122.869 121.223 0.090 0.000 2.410 215 L HA 0.726 5.076 4.340 0.017 0.000 0.270 215 L C 0.446 177.466 176.870 0.250 0.000 0.983 215 L CA -1.013 53.954 54.840 0.213 0.000 0.822 215 L CB 2.200 44.517 42.059 0.430 0.000 1.285 215 L HN 1.054 nan 8.230 nan 0.000 0.409 216 G N 0.955 109.908 108.800 0.254 0.000 2.454 216 G HA2 0.501 4.472 3.960 0.017 0.000 0.329 216 G HA3 0.501 4.472 3.960 0.017 0.000 0.329 216 G C -2.180 172.991 174.900 0.450 0.000 1.177 216 G CA -0.241 45.024 45.100 0.275 0.000 0.951 216 G HN 0.406 nan 8.290 nan 0.000 0.485 217 Y N 0.962 121.433 120.300 0.285 0.000 2.332 217 Y HA 0.669 5.230 4.550 0.017 0.000 0.326 217 Y C -0.352 175.741 175.900 0.321 0.000 0.978 217 Y CA -1.648 56.671 58.100 0.365 0.000 1.205 217 Y CB 1.303 40.012 38.460 0.415 0.000 1.131 217 Y HN 0.767 nan 8.280 nan 0.000 0.462 218 A N 6.913 129.689 122.820 -0.073 0.000 2.371 218 A HA 0.856 5.186 4.320 0.017 0.000 0.311 218 A C -1.709 175.778 177.584 -0.162 0.000 1.068 218 A CA -0.480 51.427 52.037 -0.216 0.000 0.744 218 A CB 0.755 19.688 19.000 -0.111 0.000 1.239 218 A HN 0.748 nan 8.150 nan 0.000 0.435 219 F N -0.954 118.777 119.950 -0.365 0.000 2.692 219 F HA 0.800 5.337 4.527 0.017 0.000 0.320 219 F C 0.774 176.513 175.800 -0.101 0.000 1.123 219 F CA -1.104 56.783 58.000 -0.189 0.000 0.961 219 F CB 0.799 39.691 39.000 -0.182 0.000 1.383 219 F HN 1.529 nan 8.300 nan 0.000 0.483 220 G N 1.274 110.122 108.800 0.080 0.000 2.314 220 G HA2 -0.214 3.756 3.960 0.017 0.000 0.292 220 G HA3 -0.214 3.756 3.960 0.017 0.000 0.292 220 G C -0.863 173.990 174.900 -0.079 0.000 1.059 220 G CA 0.107 45.201 45.100 -0.010 0.000 0.982 220 G HN 0.735 nan 8.290 nan 0.000 0.505 221 L N 0.125 121.324 121.223 -0.039 0.000 2.312 221 L HA 0.526 4.876 4.340 0.017 0.000 0.281 221 L C 1.030 177.883 176.870 -0.029 0.000 1.070 221 L CA -0.818 53.992 54.840 -0.050 0.000 0.805 221 L CB 0.997 43.035 42.059 -0.035 0.000 1.174 221 L HN 0.153 nan 8.230 nan 0.000 0.434 222 R N 3.420 123.896 120.500 -0.039 0.000 2.471 222 R HA 0.302 4.652 4.340 0.017 0.000 0.292 222 R C -0.932 175.350 176.300 -0.031 0.000 1.192 222 R CA -0.614 55.469 56.100 -0.027 0.000 1.257 222 R CB 0.689 30.971 30.300 -0.029 0.000 1.130 222 R HN 0.309 nan 8.270 nan 0.000 0.558 223 V N 2.563 122.463 119.914 -0.024 0.000 2.485 223 V HA 0.306 4.437 4.120 0.017 0.000 0.287 223 V C 0.593 176.672 176.094 -0.025 0.000 1.022 223 V CA 0.336 62.618 62.300 -0.029 0.000 1.067 223 V CB 0.704 32.515 31.823 -0.021 0.000 0.967 223 V HN 0.856 nan 8.190 nan 0.000 0.479 224 A N 7.429 130.229 122.820 -0.033 0.000 2.583 224 A HA 0.935 5.265 4.320 0.017 0.000 0.289 224 A C -3.073 174.493 177.584 -0.030 0.000 1.151 224 A CA -1.707 50.317 52.037 -0.022 0.000 0.695 224 A CB 1.740 20.732 19.000 -0.014 0.000 1.290 224 A HN 0.559 nan 8.150 nan 0.000 0.419 225 P HA 0.227 nan 4.420 nan 0.000 0.269 225 P C -0.031 177.244 177.300 -0.042 0.000 1.215 225 P CA 0.189 63.289 63.100 0.001 0.000 0.780 225 P CB 0.543 32.285 31.700 0.070 0.000 0.898 226 S N 2.980 118.625 115.700 -0.092 0.000 2.585 226 S HA 0.256 4.736 4.470 0.017 0.000 0.273 226 S C -2.014 172.443 174.600 -0.239 0.000 1.339 226 S CA -0.838 57.233 58.200 -0.216 0.000 1.028 226 S CB -0.434 62.581 63.200 -0.309 0.000 0.906 226 S HN 0.393 nan 8.310 nan 0.000 0.528 227 P HA 0.112 nan 4.420 nan 0.000 0.272 227 P C 0.965 177.945 177.300 -0.533 0.000 1.223 227 P CA -0.287 62.584 63.100 -0.383 0.000 0.784 227 P CB 0.438 31.916 31.700 -0.371 0.000 0.923 228 L N 1.435 122.446 121.223 -0.352 0.000 1.991 228 L HA -0.223 4.127 4.340 0.017 0.000 0.221 228 L C 2.720 179.283 176.870 -0.512 0.000 1.079 228 L CA 2.222 56.825 54.840 -0.395 0.000 0.778 228 L CB -1.146 40.726 42.059 -0.312 0.000 0.893 228 L HN 0.604 nan 8.230 nan 0.000 0.437 229 W N 0.228 121.282 121.300 -0.411 0.000 2.325 229 W HA -0.318 4.352 4.660 0.017 0.000 0.299 229 W C 2.244 178.487 176.519 -0.460 0.000 1.215 229 W CA 1.515 58.598 57.345 -0.437 0.000 1.244 229 W CB -1.035 28.210 29.460 -0.357 0.000 1.140 229 W HN 0.281 nan 8.180 nan 0.000 0.523 230 M N 1.635 120.411 119.600 -1.374 0.000 2.123 230 M HA -0.172 4.318 4.480 0.017 0.000 0.263 230 M C 2.617 178.525 176.300 -0.654 0.000 1.069 230 M CA 2.090 56.620 55.300 -1.284 0.000 1.133 230 M CB -0.541 31.106 32.600 -1.590 0.000 1.356 230 M HN -0.048 nan 8.290 nan 0.000 0.415 231 Q N -0.122 119.353 119.800 -0.542 0.000 2.096 231 Q HA -0.248 4.103 4.340 0.017 0.000 0.204 231 Q C 2.297 178.172 176.000 -0.208 0.000 0.982 231 Q CA 2.007 57.643 55.803 -0.279 0.000 0.850 231 Q CB -0.389 28.355 28.738 0.011 0.000 0.901 231 Q HN 0.576 nan 8.270 nan 0.000 0.422 232 R N 0.295 120.442 120.500 -0.589 0.000 2.082 232 R HA -0.201 4.150 4.340 0.017 0.000 0.234 232 R C 2.256 178.545 176.300 -0.017 0.000 1.136 232 R CA 1.521 57.225 56.100 -0.660 0.000 0.935 232 R CB -0.356 29.331 30.300 -1.021 0.000 0.842 232 R HN 0.261 nan 8.270 nan 0.000 0.430 233 A N 0.916 123.672 122.820 -0.107 0.000 1.883 233 A HA -0.170 4.160 4.320 0.017 0.000 0.217 233 A C 2.256 179.962 177.584 0.203 0.000 1.186 233 A CA 1.429 53.471 52.037 0.009 0.000 0.624 233 A CB -0.635 18.037 19.000 -0.547 0.000 0.822 233 A HN 0.361 nan 8.150 nan 0.000 0.444 234 L N -2.272 118.976 121.223 0.042 0.000 2.046 234 L HA -0.157 4.194 4.340 0.017 0.000 0.208 234 L C 2.493 179.470 176.870 0.178 0.000 1.077 234 L CA 1.216 56.119 54.840 0.105 0.000 0.747 234 L CB -0.519 41.473 42.059 -0.112 0.000 0.896 234 L HN 0.343 nan 8.230 nan 0.000 0.432 235 F N 0.243 120.339 119.950 0.244 0.000 2.171 235 F HA -0.205 4.332 4.527 0.017 0.000 0.300 235 F C 2.551 178.624 175.800 0.456 0.000 1.090 235 F CA 1.063 59.271 58.000 0.346 0.000 1.293 235 F CB -0.855 38.390 39.000 0.409 0.000 1.013 235 F HN 0.016 nan 8.300 nan 0.000 0.486 236 A N -0.408 122.844 122.820 0.720 0.000 1.930 236 A HA 0.023 4.353 4.320 0.017 0.000 0.217 236 A C 2.275 180.062 177.584 0.339 0.000 1.175 236 A CA 1.426 53.767 52.037 0.507 0.000 0.627 236 A CB -1.176 18.091 19.000 0.446 0.000 0.815 236 A HN 0.249 nan 8.150 nan 0.000 0.443 237 A N -1.629 121.411 122.820 0.366 0.000 2.235 237 A HA 0.388 4.718 4.320 0.017 0.000 0.208 237 A C 1.765 179.462 177.584 0.189 0.000 1.172 237 A CA 1.226 53.414 52.037 0.252 0.000 0.786 237 A CB -1.053 18.138 19.000 0.318 0.000 0.804 237 A HN 1.898 nan 8.150 nan 0.000 0.479 238 G N -2.067 106.880 108.800 0.245 0.000 2.136 238 G HA2 -0.258 3.712 3.960 0.017 0.000 0.242 238 G HA3 -0.258 3.712 3.960 0.017 0.000 0.242 238 G C 0.027 175.033 174.900 0.177 0.000 0.989 238 G CA 0.574 45.800 45.100 0.210 0.000 0.682 238 G HN 0.504 nan 8.290 nan 0.000 0.522 239 M N -0.440 119.258 119.600 0.163 0.000 2.578 239 M HA 0.620 5.110 4.480 0.017 0.000 0.321 239 M C 0.361 176.627 176.300 -0.057 0.000 1.182 239 M CA -1.039 54.298 55.300 0.063 0.000 0.965 239 M CB 1.436 34.064 32.600 0.046 0.000 1.694 239 M HN 0.197 nan 8.290 nan 0.000 0.461 240 R N 3.601 124.036 120.500 -0.109 0.000 2.255 240 R HA 0.513 4.863 4.340 0.017 0.000 0.326 240 R C -2.622 173.471 176.300 -0.346 0.000 0.986 240 R CA -1.532 54.404 56.100 -0.274 0.000 0.847 240 R CB 0.897 31.161 30.300 -0.060 0.000 1.111 240 R HN 0.291 nan 8.270 nan 0.000 0.452 241 P HA -0.001 nan 4.420 nan 0.000 0.268 241 P C -0.161 177.033 177.300 -0.177 0.000 1.205 241 P CA -0.197 62.705 63.100 -0.331 0.000 0.771 241 P CB 0.672 32.163 31.700 -0.348 0.000 0.858 242 I N 1.061 121.547 120.570 -0.140 0.000 3.818 242 I HA 0.180 4.360 4.170 0.017 0.000 0.242 242 I C 0.928 176.999 176.117 -0.077 0.000 1.111 242 I CA 0.965 62.205 61.300 -0.100 0.000 1.576 242 I CB -0.976 36.961 38.000 -0.104 0.000 1.572 242 I HN 0.466 nan 8.210 nan 0.000 0.450 243 N N 0.972 119.617 118.700 -0.093 0.000 2.610 243 N HA 0.093 4.843 4.740 0.017 0.000 0.264 243 N C -0.058 175.384 175.510 -0.114 0.000 1.348 243 N CA -0.358 52.642 53.050 -0.084 0.000 0.819 243 N CB 1.608 40.056 38.487 -0.065 0.000 1.521 243 N HN -0.001 nan 8.380 nan 0.000 0.497 244 N N 0.642 119.273 118.700 -0.115 0.000 2.060 244 N HA -0.207 4.543 4.740 0.017 0.000 0.195 244 N C 1.402 176.829 175.510 -0.139 0.000 1.028 244 N CA 1.701 54.662 53.050 -0.149 0.000 0.861 244 N CB -1.003 37.405 38.487 -0.131 0.000 1.029 244 N HN 0.363 nan 8.380 nan 0.000 0.428 245 V N 0.691 120.538 119.914 -0.111 0.000 2.261 245 V HA -0.188 3.942 4.120 0.017 0.000 0.246 245 V C 2.656 178.676 176.094 -0.123 0.000 1.047 245 V CA 1.667 63.903 62.300 -0.107 0.000 1.015 245 V CB -0.579 31.189 31.823 -0.092 0.000 0.642 245 V HN 0.243 nan 8.190 nan 0.000 0.446 246 V N 0.140 119.975 119.914 -0.132 0.000 2.343 246 V HA -0.257 3.873 4.120 0.017 0.000 0.247 246 V C 2.286 178.307 176.094 -0.120 0.000 1.051 246 V CA 2.131 64.343 62.300 -0.147 0.000 1.036 246 V CB -0.853 30.886 31.823 -0.140 0.000 0.654 246 V HN 0.528 nan 8.190 nan 0.000 0.451 247 D N 0.248 120.570 120.400 -0.129 0.000 2.133 247 D HA -0.155 4.495 4.640 0.017 0.000 0.195 247 D C 2.186 178.429 176.300 -0.095 0.000 0.997 247 D CA 1.364 55.282 54.000 -0.136 0.000 0.840 247 D CB -0.434 40.242 40.800 -0.206 0.000 0.947 247 D HN 0.319 nan 8.370 nan 0.000 0.452 248 V N 1.164 121.013 119.914 -0.109 0.000 2.287 248 V HA -0.275 3.855 4.120 0.017 0.000 0.248 248 V C 2.817 178.926 176.094 0.026 0.000 1.053 248 V CA 2.321 64.589 62.300 -0.054 0.000 1.027 248 V CB -1.061 30.718 31.823 -0.073 0.000 0.646 248 V HN 0.424 nan 8.190 nan 0.000 0.447 249 T N -1.264 113.277 114.554 -0.022 0.000 2.759 249 T HA -0.253 4.107 4.350 0.017 0.000 0.269 249 T C 1.724 176.444 174.700 0.032 0.000 1.042 249 T CA 1.967 64.061 62.100 -0.009 0.000 1.140 249 T CB -0.481 68.344 68.868 -0.071 0.000 0.864 249 T HN 0.447 nan 8.240 nan 0.000 0.455 250 N N 0.188 118.911 118.700 0.038 0.000 2.135 250 N HA -0.010 4.740 4.740 0.017 0.000 0.186 250 N C 1.554 177.159 175.510 0.159 0.000 1.027 250 N CA 1.272 54.364 53.050 0.069 0.000 0.849 250 N CB -0.757 37.753 38.487 0.040 0.000 1.002 250 N HN 0.511 nan 8.380 nan 0.000 0.425 251 Y N 2.346 122.680 120.300 0.056 0.000 2.069 251 Y HA -0.256 4.305 4.550 0.017 0.000 0.278 251 Y C 2.327 178.367 175.900 0.233 0.000 1.175 251 Y CA 1.574 59.775 58.100 0.168 0.000 1.134 251 Y CB -0.510 37.958 38.460 0.012 0.000 0.965 251 Y HN -0.193 nan 8.280 nan 0.000 0.498 252 V N 0.734 120.811 119.914 0.272 0.000 2.490 252 V HA -0.373 3.757 4.120 0.017 0.000 0.250 252 V C 2.465 178.577 176.094 0.030 0.000 1.061 252 V CA 2.132 64.518 62.300 0.143 0.000 1.064 252 V CB -0.754 31.141 31.823 0.119 0.000 0.670 252 V HN 0.597 nan 8.190 nan 0.000 0.461 253 M N -0.530 119.084 119.600 0.025 0.000 2.229 253 M HA -0.113 4.377 4.480 0.017 0.000 0.264 253 M C 1.899 178.152 176.300 -0.078 0.000 1.063 253 M CA 1.848 57.126 55.300 -0.037 0.000 1.114 253 M CB -0.059 32.525 32.600 -0.026 0.000 1.387 253 M HN 0.303 nan 8.290 nan 0.000 0.420 254 L N -0.601 120.586 121.223 -0.059 0.000 2.341 254 L HA -0.062 4.289 4.340 0.017 0.000 0.214 254 L C 2.287 178.984 176.870 -0.288 0.000 1.115 254 L CA 0.642 55.383 54.840 -0.166 0.000 0.820 254 L CB -0.596 41.388 42.059 -0.126 0.000 0.944 254 L HN 0.421 nan 8.230 nan 0.000 0.452 255 E N 1.327 121.413 120.200 -0.190 0.000 2.008 255 E HA -0.079 4.281 4.350 0.017 0.000 0.191 255 E C 0.649 177.085 176.600 -0.273 0.000 0.986 255 E CA 0.469 56.734 56.400 -0.225 0.000 0.807 255 E CB 0.333 29.998 29.700 -0.058 0.000 0.766 255 E HN 0.357 nan 8.360 nan 0.000 0.450 256 R N -0.267 120.120 120.500 -0.189 0.000 2.598 256 R HA 0.576 4.926 4.340 0.017 0.000 0.279 256 R C -0.589 175.611 176.300 -0.167 0.000 0.984 256 R CA -0.147 55.839 56.100 -0.190 0.000 0.999 256 R CB 1.287 31.503 30.300 -0.141 0.000 1.114 256 R HN 0.059 nan 8.270 nan 0.000 0.493 257 A N 2.225 124.946 122.820 -0.164 0.000 3.048 257 A HA 0.028 4.359 4.320 0.017 0.000 0.264 257 A C -0.168 177.309 177.584 -0.178 0.000 1.796 257 A CA -0.011 51.927 52.037 -0.164 0.000 1.445 257 A CB -0.487 18.424 19.000 -0.147 0.000 1.074 257 A HN 0.591 nan 8.150 nan 0.000 0.621 258 Q N 1.509 121.210 119.800 -0.165 0.000 2.414 258 Q HA 0.447 4.797 4.340 0.017 0.000 0.256 258 Q C -3.088 172.823 176.000 -0.147 0.000 0.974 258 Q CA -1.906 53.799 55.803 -0.163 0.000 0.723 258 Q CB 2.123 30.809 28.738 -0.087 0.000 1.281 258 Q HN 0.271 nan 8.270 nan 0.000 0.470 259 P HA 0.311 nan 4.420 nan 0.000 0.275 259 P C -0.898 176.450 177.300 0.080 0.000 1.227 259 P CA -0.122 62.914 63.100 -0.106 0.000 0.781 259 P CB 0.662 32.229 31.700 -0.221 0.000 0.906 260 M N 0.741 120.400 119.600 0.098 0.000 2.465 260 M HA 0.532 5.022 4.480 0.017 0.000 0.284 260 M C -1.786 174.584 176.300 0.116 0.000 1.212 260 M CA -0.662 54.710 55.300 0.120 0.000 0.910 260 M CB 2.965 35.594 32.600 0.049 0.000 1.725 260 M HN 0.279 nan 8.290 nan 0.000 0.477 261 H N 1.216 120.291 119.070 0.008 0.000 2.717 261 H HA 0.773 5.339 4.556 0.017 0.000 0.366 261 H C -1.879 173.340 175.328 -0.182 0.000 1.132 261 H CA -0.330 55.632 56.048 -0.144 0.000 1.180 261 H CB 2.346 31.946 29.762 -0.270 0.000 1.678 261 H HN 1.004 nan 8.280 nan 0.000 0.537 262 A N 5.123 127.538 122.820 -0.676 0.000 2.260 262 A HA 0.488 4.818 4.320 0.017 0.000 0.314 262 A C -1.324 176.041 177.584 -0.365 0.000 1.257 262 A CA -0.474 51.363 52.037 -0.333 0.000 0.871 262 A CB -0.175 18.679 19.000 -0.244 0.000 1.166 262 A HN 0.453 nan 8.150 nan 0.000 0.522 263 F N 1.648 121.632 119.950 0.057 0.000 2.427 263 F HA 0.237 4.774 4.527 0.017 0.000 0.346 263 F C 0.643 176.493 175.800 0.084 0.000 1.120 263 F CA -0.471 57.597 58.000 0.113 0.000 1.033 263 F CB 1.435 40.514 39.000 0.132 0.000 1.126 263 F HN 0.569 nan 8.300 nan 0.000 0.462 264 D N 3.872 124.458 120.400 0.311 0.000 2.472 264 D HA -0.014 4.636 4.640 0.017 0.000 0.248 264 D C 1.254 177.735 176.300 0.301 0.000 1.174 264 D CA 0.523 54.703 54.000 0.299 0.000 0.883 264 D CB 0.876 41.925 40.800 0.416 0.000 1.149 264 D HN 0.606 nan 8.370 nan 0.000 0.488 265 L N 4.082 125.403 121.223 0.164 0.000 2.187 265 L HA -0.206 4.144 4.340 0.017 0.000 0.213 265 L C 2.488 179.378 176.870 0.034 0.000 1.100 265 L CA 0.912 55.791 54.840 0.066 0.000 0.765 265 L CB -0.113 41.984 42.059 0.064 0.000 0.904 265 L HN 0.428 nan 8.230 nan 0.000 0.437 266 R N -0.490 120.009 120.500 -0.002 0.000 2.119 266 R HA -0.216 4.135 4.340 0.017 0.000 0.246 266 R C 1.755 177.810 176.300 -0.409 0.000 1.146 266 R CA 1.792 57.722 56.100 -0.283 0.000 0.962 266 R CB -0.335 29.627 30.300 -0.563 0.000 0.863 266 R HN 0.286 nan 8.270 nan 0.000 0.442 267 F N -1.168 118.803 119.950 0.034 0.000 2.727 267 F HA 0.089 4.626 4.527 0.017 0.000 0.302 267 F C 1.806 177.676 175.800 0.117 0.000 1.097 267 F CA -0.128 57.900 58.000 0.045 0.000 1.330 267 F CB 0.188 39.234 39.000 0.076 0.000 1.084 267 F HN -0.232 nan 8.300 nan 0.000 0.578 268 V N -0.166 119.853 119.914 0.176 0.000 2.453 268 V HA 0.112 4.242 4.120 0.017 0.000 0.247 268 V C 1.951 178.051 176.094 0.010 0.000 1.048 268 V CA 1.144 63.474 62.300 0.049 0.000 1.049 268 V CB -1.191 30.553 31.823 -0.132 0.000 0.672 268 V HN 0.548 nan 8.190 nan 0.000 0.457 269 G N 0.524 109.320 108.800 -0.006 0.000 2.514 269 G HA2 -0.316 3.654 3.960 0.017 0.000 0.265 269 G HA3 -0.316 3.654 3.960 0.017 0.000 0.265 269 G C 0.636 175.389 174.900 -0.245 0.000 1.150 269 G CA 0.401 45.465 45.100 -0.059 0.000 0.959 269 G HN 0.370 nan 8.290 nan 0.000 0.556 270 E N 1.082 120.986 120.200 -0.494 0.000 2.152 270 E HA 0.322 4.682 4.350 0.017 0.000 0.192 270 E C 1.275 177.385 176.600 -0.817 0.000 0.983 270 E CA 0.896 56.925 56.400 -0.619 0.000 0.818 270 E CB 0.074 29.373 29.700 -0.669 0.000 0.758 270 E HN 1.241 nan 8.360 nan 0.000 0.467 271 G N 0.093 108.137 108.800 -1.259 0.000 2.342 271 G HA2 0.349 4.319 3.960 0.017 0.000 0.297 271 G HA3 0.349 4.319 3.960 0.017 0.000 0.297 271 G C -1.650 172.895 174.900 -0.591 0.000 1.313 271 G CA -0.891 43.694 45.100 -0.858 0.000 0.830 271 G HN -0.080 nan 8.290 nan 0.000 0.506 272 I N 0.988 121.505 120.570 -0.087 0.000 2.437 272 I HA 0.704 4.885 4.170 0.017 0.000 0.298 272 I C 0.450 176.692 176.117 0.208 0.000 0.984 272 I CA -0.932 60.378 61.300 0.016 0.000 1.214 272 I CB 1.139 39.157 38.000 0.029 0.000 1.365 272 I HN 0.831 nan 8.210 nan 0.000 0.469 273 A N 6.536 129.416 122.820 0.101 0.000 2.353 273 A HA 0.672 5.002 4.320 0.017 0.000 0.299 273 A C -0.902 176.610 177.584 -0.120 0.000 1.089 273 A CA -0.509 51.542 52.037 0.023 0.000 0.736 273 A CB 1.205 20.232 19.000 0.045 0.000 1.195 273 A HN 0.363 nan 8.150 nan 0.000 0.447 274 V N 3.837 123.619 119.914 -0.219 0.000 2.348 274 V HA 0.655 4.786 4.120 0.017 0.000 0.270 274 V C 0.287 176.301 176.094 -0.133 0.000 1.037 274 V CA -0.205 61.964 62.300 -0.218 0.000 0.872 274 V CB -0.022 31.557 31.823 -0.407 0.000 1.002 274 V HN 1.072 nan 8.190 nan 0.000 0.464 275 R N 3.615 124.060 120.500 -0.091 0.000 2.752 275 R HA 0.687 5.038 4.340 0.017 0.000 0.271 275 R C -0.915 175.355 176.300 -0.050 0.000 1.026 275 R CA -1.205 54.853 56.100 -0.072 0.000 0.901 275 R CB 1.420 31.670 30.300 -0.083 0.000 1.243 275 R HN 0.306 nan 8.270 nan 0.000 0.463 276 R N 0.449 120.928 120.500 -0.034 0.000 2.679 276 R HA 0.413 4.763 4.340 0.017 0.000 0.269 276 R C -0.030 176.263 176.300 -0.012 0.000 1.076 276 R CA -0.041 56.050 56.100 -0.014 0.000 1.160 276 R CB 0.900 31.202 30.300 0.002 0.000 1.054 276 R HN 0.771 nan 8.270 nan 0.000 0.507 277 A N 2.441 125.266 122.820 0.009 0.000 2.371 277 A HA 0.295 4.625 4.320 0.017 0.000 0.257 277 A C 0.149 177.740 177.584 0.012 0.000 1.089 277 A CA -0.354 51.691 52.037 0.014 0.000 0.794 277 A CB 0.398 19.421 19.000 0.038 0.000 1.029 277 A HN 0.559 nan 8.150 nan 0.000 0.488 278 R N 0.834 121.338 120.500 0.006 0.000 2.390 278 R HA 0.207 4.557 4.340 0.017 0.000 0.291 278 R C -0.209 176.091 176.300 0.001 0.000 1.070 278 R CA -0.507 55.592 56.100 -0.002 0.000 1.014 278 R CB 0.637 30.936 30.300 -0.001 0.000 1.007 278 R HN 0.823 nan 8.270 nan 0.000 0.466 279 E N 1.247 121.436 120.200 -0.018 0.000 2.765 279 E HA -0.111 4.249 4.350 0.017 0.000 0.256 279 E C 0.817 177.413 176.600 -0.008 0.000 0.935 279 E CA 1.774 58.156 56.400 -0.030 0.000 0.954 279 E CB 0.088 29.758 29.700 -0.049 0.000 0.908 279 E HN 0.747 nan 8.360 nan 0.000 0.500 280 G N 3.406 112.208 108.800 0.002 0.000 2.155 280 G HA2 -0.385 3.585 3.960 0.017 0.000 0.257 280 G HA3 -0.385 3.585 3.960 0.017 0.000 0.257 280 G C 0.264 175.183 174.900 0.030 0.000 0.983 280 G CA 0.391 45.501 45.100 0.016 0.000 0.676 280 G HN 0.624 nan 8.290 nan 0.000 0.528 281 E N 0.271 120.494 120.200 0.037 0.000 2.415 281 E HA 0.394 4.754 4.350 0.017 0.000 0.262 281 E C 0.920 177.552 176.600 0.054 0.000 1.038 281 E CA -0.136 56.291 56.400 0.045 0.000 0.921 281 E CB 0.349 30.076 29.700 0.045 0.000 0.950 281 E HN 0.339 nan 8.360 nan 0.000 0.438 282 R N 3.134 123.667 120.500 0.054 0.000 2.604 282 R HA 0.571 4.921 4.340 0.017 0.000 0.287 282 R C -0.817 175.516 176.300 0.054 0.000 0.970 282 R CA -0.880 55.252 56.100 0.053 0.000 0.946 282 R CB 1.281 31.608 30.300 0.046 0.000 1.127 282 R HN 0.505 nan 8.270 nan 0.000 0.473 283 L N 1.994 123.244 121.223 0.046 0.000 2.614 283 L HA 0.253 4.603 4.340 0.017 0.000 0.264 283 L C -1.008 175.876 176.870 0.023 0.000 0.940 283 L CA -0.558 54.303 54.840 0.036 0.000 0.903 283 L CB 1.984 44.059 42.059 0.026 0.000 1.306 283 L HN 0.447 nan 8.230 nan 0.000 0.410 284 K N 3.535 123.945 120.400 0.016 0.000 2.273 284 K HA 0.190 4.520 4.320 0.017 0.000 0.287 284 K C -0.046 176.551 176.600 -0.006 0.000 1.089 284 K CA -0.041 56.249 56.287 0.006 0.000 0.909 284 K CB 0.935 33.435 32.500 0.001 0.000 1.123 284 K HN 0.730 nan 8.250 nan 0.000 0.473 285 T N 2.510 117.059 114.554 -0.009 0.000 2.813 285 T HA -0.001 4.359 4.350 0.017 0.000 0.297 285 T C 1.675 176.360 174.700 -0.024 0.000 1.036 285 T CA -0.713 61.373 62.100 -0.024 0.000 1.044 285 T CB 0.483 69.333 68.868 -0.030 0.000 0.993 285 T HN 0.453 nan 8.240 nan 0.000 0.535 286 L N 2.150 123.353 121.223 -0.034 0.000 2.064 286 L HA -0.112 4.239 4.340 0.017 0.000 0.216 286 L C 2.030 178.887 176.870 -0.022 0.000 1.077 286 L CA 2.336 57.158 54.840 -0.029 0.000 0.766 286 L CB -1.440 40.603 42.059 -0.027 0.000 0.890 286 L HN 0.926 nan 8.230 nan 0.000 0.435 287 D N -1.650 118.740 120.400 -0.017 0.000 2.352 287 D HA 0.107 4.758 4.640 0.017 0.000 0.232 287 D C 1.529 177.826 176.300 -0.005 0.000 1.055 287 D CA 0.746 54.739 54.000 -0.011 0.000 0.891 287 D CB -0.652 40.146 40.800 -0.004 0.000 0.897 287 D HN 0.391 nan 8.370 nan 0.000 0.529 288 G N -0.724 108.072 108.800 -0.007 0.000 2.148 288 G HA2 -0.265 3.705 3.960 0.017 0.000 0.254 288 G HA3 -0.265 3.705 3.960 0.017 0.000 0.254 288 G C 0.129 175.032 174.900 0.005 0.000 0.981 288 G CA 0.286 45.385 45.100 -0.002 0.000 0.670 288 G HN 0.411 nan 8.290 nan 0.000 0.528 289 V N 0.360 120.278 119.914 0.007 0.000 2.465 289 V HA 0.535 4.665 4.120 0.017 0.000 0.279 289 V C 0.514 176.619 176.094 0.019 0.000 1.045 289 V CA -0.493 61.817 62.300 0.016 0.000 0.938 289 V CB 1.752 33.588 31.823 0.021 0.000 0.986 289 V HN 0.399 nan 8.190 nan 0.000 0.467 290 E N 5.018 125.232 120.200 0.024 0.000 2.200 290 E HA 0.467 4.828 4.350 0.017 0.000 0.283 290 E C -0.365 176.260 176.600 0.042 0.000 1.015 290 E CA -0.266 56.151 56.400 0.028 0.000 0.819 290 E CB 0.581 30.296 29.700 0.024 0.000 1.081 290 E HN 0.588 nan 8.360 nan 0.000 0.397 291 R N 2.520 123.051 120.500 0.052 0.000 2.854 291 R HA 0.593 4.943 4.340 0.017 0.000 0.271 291 R C -0.808 175.545 176.300 0.089 0.000 0.994 291 R CA -1.008 55.143 56.100 0.085 0.000 0.945 291 R CB 1.951 32.325 30.300 0.123 0.000 1.194 291 R HN 0.403 nan 8.270 nan 0.000 0.476 292 T N 2.064 116.686 114.554 0.112 0.000 2.823 292 T HA 0.396 4.757 4.350 0.017 0.000 0.279 292 T C -0.399 174.400 174.700 0.165 0.000 0.998 292 T CA -0.791 61.369 62.100 0.100 0.000 0.994 292 T CB 1.049 69.954 68.868 0.061 0.000 0.960 292 T HN 0.042 nan 8.240 nan 0.000 0.448 293 L N 2.324 123.634 121.223 0.144 0.000 2.399 293 L HA 0.479 4.829 4.340 0.017 0.000 0.265 293 L C 0.299 177.276 176.870 0.178 0.000 1.089 293 L CA -0.685 54.271 54.840 0.193 0.000 0.802 293 L CB 0.437 42.568 42.059 0.120 0.000 1.180 293 L HN 0.769 nan 8.230 nan 0.000 0.454 294 H N 2.320 121.448 119.070 0.096 0.000 2.499 294 H HA 0.350 4.917 4.556 0.017 0.000 0.340 294 H C -1.915 173.435 175.328 0.037 0.000 1.148 294 H CA -1.765 54.311 56.048 0.047 0.000 1.215 294 H CB 2.045 31.831 29.762 0.041 0.000 1.529 294 H HN 0.361 nan 8.280 nan 0.000 0.510 295 P HA -0.128 nan 4.420 nan 0.000 0.228 295 P C 0.965 178.388 177.300 0.205 0.000 1.151 295 P CA 0.836 63.986 63.100 0.083 0.000 0.770 295 P CB 0.303 31.969 31.700 -0.057 0.000 0.786 296 E N -0.077 120.430 120.200 0.512 0.000 2.299 296 E HA -0.054 4.306 4.350 0.017 0.000 0.193 296 E C -0.131 176.518 176.600 0.082 0.000 0.998 296 E CA 0.380 56.913 56.400 0.221 0.000 0.851 296 E CB -0.281 29.483 29.700 0.106 0.000 0.795 296 E HN 0.197 nan 8.360 nan 0.000 0.492 297 D N 1.509 121.969 120.400 0.101 0.000 2.412 297 D HA -0.006 4.644 4.640 0.017 0.000 0.257 297 D C 0.166 176.455 176.300 -0.018 0.000 1.217 297 D CA 0.266 54.278 54.000 0.019 0.000 0.897 297 D CB 0.429 41.261 40.800 0.053 0.000 1.132 297 D HN 0.148 nan 8.370 nan 0.000 0.493 298 L N 2.727 123.907 121.223 -0.070 0.000 2.417 298 L HA 0.347 4.698 4.340 0.017 0.000 0.268 298 L C -0.114 176.685 176.870 -0.119 0.000 1.158 298 L CA -0.101 54.686 54.840 -0.087 0.000 0.819 298 L CB 1.251 43.240 42.059 -0.116 0.000 1.112 298 L HN 0.106 nan 8.230 nan 0.000 0.458 299 V N 4.900 124.761 119.914 -0.088 0.000 3.114 299 V HA 0.448 4.578 4.120 0.017 0.000 0.308 299 V C -0.997 175.061 176.094 -0.059 0.000 1.168 299 V CA -0.671 61.582 62.300 -0.080 0.000 1.015 299 V CB 2.519 34.311 31.823 -0.052 0.000 1.050 299 V HN 0.580 nan 8.190 nan 0.000 0.433 300 I N 4.585 125.131 120.570 -0.040 0.000 2.328 300 I HA 0.769 4.949 4.170 0.017 0.000 0.287 300 I C 0.427 176.470 176.117 -0.124 0.000 1.012 300 I CA 0.477 61.744 61.300 -0.054 0.000 1.195 300 I CB 1.094 39.100 38.000 0.011 0.000 1.350 300 I HN 0.839 nan 8.210 nan 0.000 0.464 301 A N 4.185 126.923 122.820 -0.136 0.000 2.344 301 A HA 0.999 5.330 4.320 0.017 0.000 0.307 301 A C -0.026 177.416 177.584 -0.236 0.000 1.151 301 A CA -0.331 51.602 52.037 -0.173 0.000 0.842 301 A CB 1.170 20.076 19.000 -0.157 0.000 1.350 301 A HN 0.657 nan 8.150 nan 0.000 0.459 302 G N -2.081 106.431 108.800 -0.480 0.000 3.015 302 G HA2 0.678 4.648 3.960 0.017 0.000 0.281 302 G HA3 0.678 4.648 3.960 0.017 0.000 0.281 302 G C -1.383 173.014 174.900 -0.838 0.000 1.386 302 G CA -0.210 44.581 45.100 -0.514 0.000 0.959 302 G HN 1.764 nan 8.290 nan 0.000 0.522 303 W N -0.596 120.359 121.300 -0.576 0.000 3.372 303 W HA 0.785 5.455 4.660 0.017 0.000 0.315 303 W C -1.321 175.249 176.519 0.085 0.000 1.223 303 W CA -1.430 55.701 57.345 -0.356 0.000 1.202 303 W CB 1.442 30.765 29.460 -0.229 0.000 1.367 303 W HN 0.548 nan 8.180 nan 0.000 0.531 304 R N 3.564 124.315 120.500 0.418 0.000 2.422 304 R HA 0.503 4.853 4.340 0.017 0.000 0.307 304 R C 0.839 177.312 176.300 0.288 0.000 1.004 304 R CA 0.358 56.622 56.100 0.274 0.000 0.882 304 R CB 1.120 31.573 30.300 0.254 0.000 1.164 304 R HN 1.250 nan 8.270 nan 0.000 0.489 305 G N 3.033 112.002 108.800 0.283 0.000 2.601 305 G HA2 -0.376 3.594 3.960 0.017 0.000 0.306 305 G HA3 -0.376 3.594 3.960 0.017 0.000 0.306 305 G C 0.330 175.374 174.900 0.239 0.000 1.172 305 G CA 0.463 45.696 45.100 0.221 0.000 0.966 305 G HN 0.614 nan 8.290 nan 0.000 0.542 306 E N 1.095 121.393 120.200 0.164 0.000 2.609 306 E HA 0.376 4.736 4.350 0.017 0.000 0.208 306 E C -0.546 176.135 176.600 0.135 0.000 1.013 306 E CA -0.182 56.283 56.400 0.109 0.000 1.093 306 E CB 0.517 30.253 29.700 0.060 0.000 1.129 306 E HN 0.236 nan 8.360 nan 0.000 0.450 307 E N 0.255 120.594 120.200 0.231 0.000 2.158 307 E HA 0.342 4.702 4.350 0.017 0.000 0.271 307 E C -1.298 175.467 176.600 0.275 0.000 0.911 307 E CA -0.502 56.070 56.400 0.287 0.000 0.767 307 E CB 1.905 31.835 29.700 0.384 0.000 1.120 307 E HN -0.100 nan 8.360 nan 0.000 0.405 308 S N 3.632 119.425 115.700 0.154 0.000 2.605 308 S HA 0.717 5.197 4.470 0.017 0.000 0.308 308 S C -1.425 173.167 174.600 -0.014 0.000 1.113 308 S CA -0.680 57.464 58.200 -0.094 0.000 1.049 308 S CB -0.074 63.080 63.200 -0.077 0.000 1.001 308 S HN 0.343 nan 8.310 nan 0.000 0.480 309 F N 2.952 122.954 119.950 0.086 0.000 2.565 309 F HA 0.729 5.266 4.527 0.017 0.000 0.313 309 F C -2.781 173.043 175.800 0.040 0.000 1.091 309 F CA -2.901 55.133 58.000 0.058 0.000 0.915 309 F CB 0.714 39.752 39.000 0.063 0.000 1.208 309 F HN 0.222 nan 8.300 nan 0.000 0.453 310 P HA 0.214 nan 4.420 nan 0.000 0.271 310 P C -0.138 177.240 177.300 0.130 0.000 1.216 310 P CA -0.119 63.027 63.100 0.077 0.000 0.771 310 P CB 1.917 33.653 31.700 0.060 0.000 0.864 311 L N 1.260 122.522 121.223 0.064 0.000 2.609 311 L HA 0.427 4.777 4.340 0.017 0.000 0.230 311 L C 1.245 178.230 176.870 0.191 0.000 1.064 311 L CA 0.468 55.374 54.840 0.110 0.000 0.873 311 L CB 0.169 42.192 42.059 -0.060 0.000 1.139 311 L HN 0.542 nan 8.230 nan 0.000 0.490 312 G N -0.335 108.540 108.800 0.125 0.000 2.601 312 G HA2 0.379 4.349 3.960 0.017 0.000 0.291 312 G HA3 0.379 4.349 3.960 0.017 0.000 0.291 312 G C -1.974 172.934 174.900 0.012 0.000 1.456 312 G CA -0.530 44.636 45.100 0.110 0.000 0.804 312 G HN -0.156 nan 8.290 nan 0.000 0.499 313 L N 2.104 123.294 121.223 -0.056 0.000 2.295 313 L HA 0.553 4.903 4.340 0.017 0.000 0.288 313 L C 1.248 178.018 176.870 -0.166 0.000 1.079 313 L CA -0.631 54.136 54.840 -0.121 0.000 0.830 313 L CB 0.453 42.412 42.059 -0.165 0.000 1.200 313 L HN 0.858 nan 8.230 nan 0.000 0.438 314 A N 3.678 126.362 122.820 -0.228 0.000 2.608 314 A HA 0.161 4.491 4.320 0.017 0.000 0.246 314 A C 1.475 178.607 177.584 -0.754 0.000 0.998 314 A CA 0.871 52.606 52.037 -0.504 0.000 0.796 314 A CB -0.384 18.234 19.000 -0.638 0.000 0.895 314 A HN 1.316 nan 8.150 nan 0.000 0.508 315 G N 0.986 109.347 108.800 -0.731 0.000 2.225 315 G HA2 -0.255 3.715 3.960 0.017 0.000 0.272 315 G HA3 -0.255 3.715 3.960 0.017 0.000 0.272 315 G C 0.705 175.644 174.900 0.066 0.000 0.996 315 G CA 1.013 45.900 45.100 -0.356 0.000 0.710 315 G HN 1.454 nan 8.290 nan 0.000 0.522 316 V N -1.390 118.505 119.914 -0.031 0.000 3.029 316 V HA 0.654 4.784 4.120 0.017 0.000 0.230 316 V C 0.496 176.592 176.094 0.004 0.000 1.254 316 V CA 1.747 64.053 62.300 0.010 0.000 1.276 316 V CB 0.748 32.530 31.823 -0.068 0.000 1.080 316 V HN 0.573 nan 8.190 nan 0.000 0.495 317 M N -0.762 118.807 119.600 -0.051 0.000 2.523 317 M HA 0.594 5.084 4.480 0.017 0.000 0.287 317 M C -0.702 175.509 176.300 -0.149 0.000 1.160 317 M CA -0.233 55.023 55.300 -0.073 0.000 0.902 317 M CB 1.833 34.399 32.600 -0.057 0.000 1.752 317 M HN 0.257 nan 8.290 nan 0.000 0.504 318 G N 1.101 109.737 108.800 -0.273 0.000 2.528 318 G HA2 0.605 4.575 3.960 0.017 0.000 0.289 318 G HA3 0.605 4.575 3.960 0.017 0.000 0.289 318 G C -0.067 174.740 174.900 -0.156 0.000 1.192 318 G CA -0.307 44.542 45.100 -0.417 0.000 0.921 318 G HN 0.923 nan 8.290 nan 0.000 0.512 319 G N -1.391 107.380 108.800 -0.048 0.000 2.527 319 G HA2 0.489 4.459 3.960 0.017 0.000 0.248 319 G HA3 0.489 4.459 3.960 0.017 0.000 0.248 319 G C 1.094 175.972 174.900 -0.037 0.000 1.231 319 G CA 0.522 45.619 45.100 -0.005 0.000 0.838 319 G HN 0.969 nan 8.290 nan 0.000 0.570 320 A N 0.745 123.537 122.820 -0.047 0.000 1.968 320 A HA 0.006 4.336 4.320 0.017 0.000 0.217 320 A C 1.999 179.513 177.584 -0.117 0.000 1.169 320 A CA 1.857 53.858 52.037 -0.060 0.000 0.638 320 A CB -0.358 18.615 19.000 -0.044 0.000 0.812 320 A HN 0.771 nan 8.150 nan 0.000 0.446 321 E N 0.516 120.613 120.200 -0.171 0.000 2.028 321 E HA -0.165 4.195 4.350 0.017 0.000 0.191 321 E C 2.158 178.319 176.600 -0.732 0.000 0.988 321 E CA 1.611 57.782 56.400 -0.381 0.000 0.799 321 E CB -0.099 29.393 29.700 -0.346 0.000 0.755 321 E HN 0.706 nan 8.360 nan 0.000 0.447 322 S N 0.387 115.792 115.700 -0.491 0.000 2.474 322 S HA -0.116 4.364 4.470 0.017 0.000 0.235 322 S C 0.902 175.462 174.600 -0.066 0.000 0.997 322 S CA 0.230 58.257 58.200 -0.288 0.000 0.949 322 S CB -0.242 63.125 63.200 0.279 0.000 0.766 322 S HN 0.270 nan 8.310 nan 0.000 0.517 323 E N 1.160 121.315 120.200 -0.075 0.000 2.508 323 E HA 0.025 4.386 4.350 0.017 0.000 0.266 323 E C -0.832 175.740 176.600 -0.047 0.000 1.010 323 E CA -0.032 56.343 56.400 -0.042 0.000 0.955 323 E CB 0.505 30.180 29.700 -0.041 0.000 0.946 323 E HN 0.135 nan 8.360 nan 0.000 0.454 324 V N 4.881 124.748 119.914 -0.079 0.000 2.508 324 V HA 0.173 4.303 4.120 0.017 0.000 0.281 324 V C 0.602 176.679 176.094 -0.028 0.000 1.041 324 V CA 0.491 62.765 62.300 -0.042 0.000 1.016 324 V CB 0.980 32.752 31.823 -0.084 0.000 0.984 324 V HN 0.647 nan 8.190 nan 0.000 0.478 325 R N 2.246 122.751 120.500 0.010 0.000 2.960 325 R HA 0.369 4.719 4.340 0.017 0.000 0.249 325 R C 1.001 177.308 176.300 0.012 0.000 1.192 325 R CA -0.835 55.270 56.100 0.008 0.000 1.035 325 R CB 1.124 31.440 30.300 0.027 0.000 1.234 325 R HN 0.701 nan 8.270 nan 0.000 0.493 326 E N 0.488 120.693 120.200 0.008 0.000 2.114 326 E HA -0.225 4.135 4.350 0.017 0.000 0.199 326 E C 0.315 176.925 176.600 0.015 0.000 1.008 326 E CA 1.831 58.235 56.400 0.006 0.000 0.810 326 E CB 0.060 29.763 29.700 0.005 0.000 0.739 326 E HN 0.397 nan 8.360 nan 0.000 0.456 327 D N -0.168 120.249 120.400 0.028 0.000 2.336 327 D HA 0.001 4.651 4.640 0.017 0.000 0.229 327 D C -0.395 175.932 176.300 0.045 0.000 1.061 327 D CA 0.391 54.411 54.000 0.034 0.000 0.875 327 D CB -0.003 40.820 40.800 0.037 0.000 0.904 327 D HN 0.076 nan 8.370 nan 0.000 0.525 328 T N 0.588 115.172 114.554 0.049 0.000 2.869 328 T HA 0.187 4.548 4.350 0.017 0.000 0.295 328 T C 1.309 176.039 174.700 0.050 0.000 0.987 328 T CA -0.337 61.801 62.100 0.063 0.000 1.109 328 T CB 1.310 70.217 68.868 0.066 0.000 0.932 328 T HN 0.211 nan 8.240 nan 0.000 0.518 329 E N 0.855 121.095 120.200 0.067 0.000 2.571 329 E HA 0.499 4.859 4.350 0.017 0.000 0.222 329 E C 0.164 176.828 176.600 0.107 0.000 0.904 329 E CA -0.521 55.921 56.400 0.069 0.000 1.157 329 E CB 0.814 30.558 29.700 0.074 0.000 1.158 329 E HN 0.536 nan 8.360 nan 0.000 0.540 330 A N 1.988 124.888 122.820 0.135 0.000 2.566 330 A HA 0.655 4.985 4.320 0.017 0.000 0.297 330 A C -1.133 176.565 177.584 0.190 0.000 1.059 330 A CA -0.801 51.357 52.037 0.202 0.000 0.691 330 A CB 1.765 20.959 19.000 0.324 0.000 1.282 330 A HN 0.247 nan 8.150 nan 0.000 0.401 331 I N -1.037 119.654 120.570 0.202 0.000 3.279 331 I HA 0.939 5.119 4.170 0.017 0.000 0.315 331 I C -0.815 175.410 176.117 0.181 0.000 1.225 331 I CA -0.759 60.638 61.300 0.162 0.000 0.947 331 I CB 1.514 39.578 38.000 0.106 0.000 1.293 331 I HN 1.269 nan 8.210 nan 0.000 0.468 332 A N 2.990 125.858 122.820 0.080 0.000 2.342 332 A HA 0.723 5.053 4.320 0.017 0.000 0.323 332 A C -1.359 176.330 177.584 0.174 0.000 1.125 332 A CA -0.531 51.520 52.037 0.023 0.000 0.785 332 A CB 1.198 19.954 19.000 -0.408 0.000 1.221 332 A HN 0.679 nan 8.150 nan 0.000 0.463 333 L N 1.963 123.297 121.223 0.184 0.000 2.262 333 L HA 0.360 4.710 4.340 0.017 0.000 0.288 333 L C 0.388 177.336 176.870 0.131 0.000 1.035 333 L CA -0.107 54.821 54.840 0.147 0.000 0.820 333 L CB 1.039 43.155 42.059 0.095 0.000 1.204 333 L HN 0.774 nan 8.230 nan 0.000 0.424 334 E N 5.062 125.373 120.200 0.185 0.000 2.180 334 E HA 0.330 4.690 4.350 0.017 0.000 0.283 334 E C -1.667 174.910 176.600 -0.039 0.000 1.061 334 E CA -0.217 56.229 56.400 0.077 0.000 0.861 334 E CB 0.797 30.715 29.700 0.364 0.000 1.056 334 E HN 0.483 nan 8.360 nan 0.000 0.407 335 V N 4.068 123.834 119.914 -0.247 0.000 2.462 335 V HA 0.616 4.746 4.120 0.017 0.000 0.288 335 V C -0.271 175.579 176.094 -0.407 0.000 1.020 335 V CA -0.332 61.851 62.300 -0.195 0.000 0.857 335 V CB 0.872 32.621 31.823 -0.122 0.000 1.013 335 V HN 0.814 nan 8.190 nan 0.000 0.431 336 A N 2.883 125.482 122.820 -0.369 0.000 2.524 336 A HA 0.891 5.221 4.320 0.017 0.000 0.289 336 A C -1.098 176.274 177.584 -0.353 0.000 1.248 336 A CA -0.541 51.160 52.037 -0.561 0.000 0.712 336 A CB 1.998 20.416 19.000 -0.969 0.000 1.312 336 A HN 0.918 nan 8.150 nan 0.000 0.441 337 C N 0.614 119.654 119.300 -0.434 0.000 2.407 337 C HA 0.784 5.254 4.460 0.017 0.000 0.328 337 C C -1.421 173.372 174.990 -0.328 0.000 1.137 337 C CA -0.968 57.951 59.018 -0.164 0.000 1.390 337 C CB -1.802 25.971 27.740 0.054 0.000 1.989 337 C HN 0.474 nan 8.230 nan 0.000 0.432 338 F N 2.799 122.653 119.950 -0.160 0.000 2.403 338 F HA 0.375 4.912 4.527 0.017 0.000 0.326 338 F C 0.650 176.420 175.800 -0.052 0.000 1.081 338 F CA -0.400 57.491 58.000 -0.181 0.000 1.041 338 F CB 0.662 39.392 39.000 -0.450 0.000 1.234 338 F HN 0.602 nan 8.300 nan 0.000 0.503 339 D N 2.902 123.418 120.400 0.193 0.000 2.346 339 D HA 0.139 4.790 4.640 0.017 0.000 0.260 339 D C -1.955 174.409 176.300 0.107 0.000 1.252 339 D CA -1.465 52.608 54.000 0.121 0.000 0.895 339 D CB 1.044 41.897 40.800 0.089 0.000 1.097 339 D HN 0.068 nan 8.370 nan 0.000 0.489 340 P HA -0.266 nan 4.420 nan 0.000 0.217 340 P C 1.480 178.822 177.300 0.069 0.000 1.162 340 P CA 1.147 64.311 63.100 0.106 0.000 0.901 340 P CB 0.078 31.834 31.700 0.093 0.000 0.793 341 V N -0.611 119.335 119.914 0.052 0.000 2.332 341 V HA -0.251 3.879 4.120 0.017 0.000 0.248 341 V C 2.630 178.736 176.094 0.020 0.000 1.055 341 V CA 2.413 64.734 62.300 0.034 0.000 1.038 341 V CB -1.721 30.119 31.823 0.029 0.000 0.651 341 V HN 0.229 nan 8.190 nan 0.000 0.450 342 S N -0.194 115.516 115.700 0.017 0.000 2.356 342 S HA -0.143 4.337 4.470 0.017 0.000 0.223 342 S C 1.998 176.584 174.600 -0.025 0.000 1.032 342 S CA 1.522 59.718 58.200 -0.007 0.000 1.005 342 S CB -0.284 62.911 63.200 -0.008 0.000 0.867 342 S HN 0.424 nan 8.310 nan 0.000 0.449 343 I N 1.752 122.311 120.570 -0.018 0.000 2.127 343 I HA -0.174 4.006 4.170 0.017 0.000 0.241 343 I C 2.731 178.853 176.117 0.010 0.000 1.075 343 I CA 1.537 62.822 61.300 -0.025 0.000 1.334 343 I CB -1.318 36.697 38.000 0.025 0.000 1.040 343 I HN 0.419 nan 8.210 nan 0.000 0.405 344 R N 1.156 121.675 120.500 0.032 0.000 2.094 344 R HA -0.253 4.097 4.340 0.017 0.000 0.239 344 R C 2.367 178.678 176.300 0.018 0.000 1.137 344 R CA 2.176 58.297 56.100 0.036 0.000 0.943 344 R CB -0.142 30.180 30.300 0.037 0.000 0.850 344 R HN 0.225 nan 8.270 nan 0.000 0.433 345 K N -0.796 119.604 120.400 0.000 0.000 1.978 345 K HA -0.125 4.205 4.320 0.017 0.000 0.214 345 K C 2.049 178.636 176.600 -0.022 0.000 1.049 345 K CA 2.460 58.735 56.287 -0.021 0.000 0.939 345 K CB -0.272 32.203 32.500 -0.042 0.000 0.721 345 K HN 0.191 nan 8.250 nan 0.000 0.441 346 T N 0.812 115.348 114.554 -0.031 0.000 2.665 346 T HA -0.249 4.111 4.350 0.017 0.000 0.268 346 T C 1.817 176.544 174.700 0.044 0.000 1.035 346 T CA 1.562 63.657 62.100 -0.008 0.000 1.151 346 T CB -0.488 68.342 68.868 -0.063 0.000 0.862 346 T HN 0.429 nan 8.240 nan 0.000 0.438 347 A N 1.713 124.542 122.820 0.013 0.000 1.865 347 A HA -0.156 4.174 4.320 0.017 0.000 0.217 347 A C 2.374 179.995 177.584 0.063 0.000 1.191 347 A CA 1.758 53.812 52.037 0.029 0.000 0.623 347 A CB -0.532 18.490 19.000 0.038 0.000 0.826 347 A HN 0.460 nan 8.150 nan 0.000 0.444 348 R N -1.160 119.371 120.500 0.051 0.000 2.193 348 R HA 0.022 4.373 4.340 0.017 0.000 0.213 348 R C 2.343 178.670 176.300 0.045 0.000 1.055 348 R CA 0.916 57.043 56.100 0.045 0.000 0.995 348 R CB -0.239 30.079 30.300 0.029 0.000 0.893 348 R HN 0.620 nan 8.270 nan 0.000 0.459 349 R N 0.475 121.010 120.500 0.059 0.000 2.127 349 R HA -0.103 4.247 4.340 0.017 0.000 0.238 349 R C -0.126 176.156 176.300 -0.031 0.000 1.134 349 R CA 1.383 57.490 56.100 0.012 0.000 0.975 349 R CB 0.046 30.354 30.300 0.014 0.000 0.865 349 R HN 0.249 nan 8.270 nan 0.000 0.447 350 H N -2.546 116.511 119.070 -0.021 0.000 2.676 350 H HA 0.358 4.925 4.556 0.017 0.000 0.352 350 H C -0.115 175.210 175.328 -0.004 0.000 1.193 350 H CA -0.396 55.647 56.048 -0.008 0.000 1.243 350 H CB 1.456 31.214 29.762 -0.007 0.000 1.751 350 H HN 0.170 nan 8.280 nan 0.000 0.567 351 G N 1.141 110.016 108.800 0.125 0.000 3.197 351 G HA2 0.363 4.333 3.960 0.017 0.000 0.257 351 G HA3 0.363 4.333 3.960 0.017 0.000 0.257 351 G C -0.623 174.313 174.900 0.060 0.000 0.835 351 G CA -0.011 45.130 45.100 0.069 0.000 2.001 351 G HN 0.264 nan 8.290 nan 0.000 0.625 352 L N 0.232 121.491 121.223 0.061 0.000 2.388 352 L HA 0.680 5.030 4.340 0.017 0.000 0.264 352 L C -0.081 176.812 176.870 0.039 0.000 0.998 352 L CA -1.115 53.749 54.840 0.041 0.000 0.817 352 L CB 2.922 44.996 42.059 0.025 0.000 1.338 352 L HN 0.148 nan 8.230 nan 0.000 0.414 353 R N 1.693 122.213 120.500 0.034 0.000 2.810 353 R HA 0.322 4.672 4.340 0.017 0.000 0.280 353 R C -1.090 175.229 176.300 0.033 0.000 1.517 353 R CA -0.144 55.980 56.100 0.040 0.000 1.063 353 R CB 1.653 31.966 30.300 0.023 0.000 1.275 353 R HN 0.860 nan 8.270 nan 0.000 0.464 354 T N -1.419 113.167 114.554 0.053 0.000 2.948 354 T HA 0.305 4.665 4.350 0.017 0.000 0.285 354 T C 1.137 175.879 174.700 0.070 0.000 1.019 354 T CA -0.783 61.346 62.100 0.048 0.000 1.013 354 T CB 1.683 70.580 68.868 0.048 0.000 1.117 354 T HN 0.304 nan 8.240 nan 0.000 0.533 355 E N 0.459 120.690 120.200 0.051 0.000 2.085 355 E HA -0.152 4.209 4.350 0.017 0.000 0.194 355 E C 2.305 178.940 176.600 0.059 0.000 0.994 355 E CA 1.595 58.027 56.400 0.054 0.000 0.801 355 E CB -0.802 28.913 29.700 0.026 0.000 0.743 355 E HN 0.787 nan 8.360 nan 0.000 0.453 356 A N 1.632 124.488 122.820 0.061 0.000 1.832 356 A HA -0.209 4.121 4.320 0.017 0.000 0.214 356 A C 2.451 180.124 177.584 0.147 0.000 1.200 356 A CA 2.529 54.604 52.037 0.063 0.000 0.610 356 A CB -1.030 18.080 19.000 0.183 0.000 0.842 356 A HN 0.346 nan 8.150 nan 0.000 0.444 357 S N -0.491 115.329 115.700 0.201 0.000 2.378 357 S HA -0.406 4.075 4.470 0.017 0.000 0.229 357 S C 1.999 176.717 174.600 0.198 0.000 1.052 357 S CA 2.435 60.762 58.200 0.212 0.000 1.084 357 S CB -0.957 62.322 63.200 0.133 0.000 0.950 357 S HN 0.752 nan 8.310 nan 0.000 0.440 358 H N 1.950 121.054 119.070 0.057 0.000 2.289 358 H HA -0.054 4.513 4.556 0.017 0.000 0.294 358 H C 2.402 177.740 175.328 0.017 0.000 1.095 358 H CA 2.529 58.596 56.048 0.032 0.000 1.256 358 H CB -0.353 29.413 29.762 0.007 0.000 1.359 358 H HN 0.486 nan 8.280 nan 0.000 0.487 359 R N -1.068 119.373 120.500 -0.098 0.000 2.070 359 R HA -0.127 4.223 4.340 0.017 0.000 0.233 359 R C 2.391 178.598 176.300 -0.155 0.000 1.137 359 R CA 1.483 57.445 56.100 -0.230 0.000 0.945 359 R CB -0.609 29.515 30.300 -0.294 0.000 0.845 359 R HN 0.291 nan 8.270 nan 0.000 0.430 360 F N 1.627 121.594 119.950 0.029 0.000 2.161 360 F HA -0.174 4.363 4.527 0.017 0.000 0.300 360 F C 2.366 178.190 175.800 0.040 0.000 1.089 360 F CA 1.223 59.267 58.000 0.074 0.000 1.282 360 F CB -0.502 38.592 39.000 0.156 0.000 1.010 360 F HN 0.113 nan 8.300 nan 0.000 0.485 361 E N -0.380 119.930 120.200 0.183 0.000 2.051 361 E HA -0.177 4.183 4.350 0.017 0.000 0.192 361 E C 2.318 178.937 176.600 0.032 0.000 0.991 361 E CA 0.872 57.329 56.400 0.095 0.000 0.799 361 E CB 0.045 29.784 29.700 0.065 0.000 0.748 361 E HN 0.141 nan 8.360 nan 0.000 0.449 362 R N -0.406 120.060 120.500 -0.057 0.000 2.235 362 R HA 0.058 4.408 4.340 0.017 0.000 0.213 362 R C 0.561 176.850 176.300 -0.017 0.000 1.059 362 R CA 0.895 56.949 56.100 -0.077 0.000 0.997 362 R CB 0.172 30.354 30.300 -0.197 0.000 0.884 362 R HN 0.229 nan 8.270 nan 0.000 0.462 363 G N 0.039 108.854 108.800 0.025 0.000 3.055 363 G HA2 -0.118 3.852 3.960 0.017 0.000 0.685 363 G HA3 -0.118 3.852 3.960 0.017 0.000 0.685 363 G C -1.164 173.763 174.900 0.045 0.000 1.212 363 G CA -0.827 44.310 45.100 0.061 0.000 0.822 363 G HN 0.020 nan 8.290 nan 0.000 0.610 364 V N 2.496 122.470 119.914 0.101 0.000 2.667 364 V HA 0.573 4.703 4.120 0.017 0.000 0.308 364 V C 0.256 176.394 176.094 0.073 0.000 1.048 364 V CA -0.499 61.840 62.300 0.065 0.000 0.928 364 V CB 1.909 33.812 31.823 0.134 0.000 1.004 364 V HN 0.965 nan 8.190 nan 0.000 0.444 365 D N 6.525 126.955 120.400 0.051 0.000 2.426 365 D HA 0.052 4.703 4.640 0.017 0.000 0.261 365 D C -1.164 175.187 176.300 0.086 0.000 1.245 365 D CA -1.437 52.605 54.000 0.069 0.000 0.917 365 D CB 1.418 42.263 40.800 0.074 0.000 1.123 365 D HN 0.255 nan 8.370 nan 0.000 0.508 366 P HA -0.152 nan 4.420 nan 0.000 0.220 366 P C 0.698 178.091 177.300 0.155 0.000 1.144 366 P CA 0.664 63.829 63.100 0.108 0.000 0.800 366 P CB 0.405 32.140 31.700 0.059 0.000 0.772 367 L N -2.072 119.222 121.223 0.119 0.000 3.069 367 L HA 0.327 4.678 4.340 0.017 0.000 0.271 367 L C 2.113 179.045 176.870 0.104 0.000 1.201 367 L CA 0.424 55.341 54.840 0.129 0.000 1.015 367 L CB -0.871 41.231 42.059 0.071 0.000 1.371 367 L HN -0.032 nan 8.230 nan 0.000 0.574 368 G N -0.594 108.253 108.800 0.079 0.000 2.572 368 G HA2 -0.158 3.813 3.960 0.017 0.000 0.216 368 G HA3 -0.158 3.813 3.960 0.017 0.000 0.216 368 G C 1.286 176.190 174.900 0.007 0.000 1.133 368 G CA 0.137 45.257 45.100 0.033 0.000 0.791 368 G HN 0.247 nan 8.290 nan 0.000 0.538 369 Q N 0.664 120.460 119.800 -0.006 0.000 1.998 369 Q HA -0.160 4.190 4.340 0.017 0.000 0.209 369 Q C 2.847 178.813 176.000 -0.057 0.000 1.002 369 Q CA 1.928 57.676 55.803 -0.092 0.000 0.858 369 Q CB -1.088 27.474 28.738 -0.295 0.000 0.932 369 Q HN 0.327 nan 8.270 nan 0.000 0.416 370 V N 1.490 121.395 119.914 -0.014 0.000 2.287 370 V HA -0.202 3.929 4.120 0.017 0.000 0.248 370 V C -0.864 175.237 176.094 0.011 0.000 1.053 370 V CA 2.183 64.489 62.300 0.009 0.000 1.027 370 V CB -1.990 29.860 31.823 0.046 0.000 0.646 370 V HN 0.391 nan 8.190 nan 0.000 0.447 371 P HA -0.113 nan 4.420 nan 0.000 0.220 371 P C 1.573 178.873 177.300 -0.000 0.000 1.148 371 P CA 1.989 65.093 63.100 0.006 0.000 0.803 371 P CB -0.020 31.681 31.700 0.001 0.000 0.782 372 A N 0.241 123.056 122.820 -0.008 0.000 1.930 372 A HA -0.181 4.150 4.320 0.017 0.000 0.217 372 A C 2.407 179.991 177.584 0.001 0.000 1.175 372 A CA 1.214 53.245 52.037 -0.010 0.000 0.627 372 A CB -1.150 17.836 19.000 -0.023 0.000 0.815 372 A HN 0.101 nan 8.150 nan 0.000 0.443 373 Q N -0.716 119.082 119.800 -0.003 0.000 2.079 373 Q HA -0.137 4.213 4.340 0.017 0.000 0.200 373 Q C 2.249 178.261 176.000 0.019 0.000 0.974 373 Q CA 1.014 56.822 55.803 0.008 0.000 0.840 373 Q CB -0.268 28.476 28.738 0.009 0.000 0.898 373 Q HN 0.433 nan 8.270 nan 0.000 0.430 374 R N 0.700 121.210 120.500 0.018 0.000 2.081 374 R HA -0.102 4.248 4.340 0.017 0.000 0.235 374 R C 2.183 178.495 176.300 0.020 0.000 1.131 374 R CA 1.160 57.271 56.100 0.019 0.000 0.960 374 R CB -0.646 29.665 30.300 0.017 0.000 0.856 374 R HN 0.131 nan 8.270 nan 0.000 0.436 375 R N 1.095 121.609 120.500 0.023 0.000 2.080 375 R HA -0.031 4.319 4.340 0.017 0.000 0.236 375 R C 1.978 178.306 176.300 0.046 0.000 1.137 375 R CA 2.109 58.232 56.100 0.039 0.000 0.943 375 R CB -0.930 29.397 30.300 0.045 0.000 0.846 375 R HN 0.184 nan 8.270 nan 0.000 0.431 376 A N 0.463 123.306 122.820 0.038 0.000 1.877 376 A HA -0.078 4.252 4.320 0.017 0.000 0.216 376 A C 2.371 179.962 177.584 0.012 0.000 1.186 376 A CA 1.650 53.706 52.037 0.032 0.000 0.620 376 A CB -0.700 18.314 19.000 0.023 0.000 0.822 376 A HN 0.364 nan 8.150 nan 0.000 0.443 377 L N -0.324 120.905 121.223 0.009 0.000 2.083 377 L HA -0.167 4.183 4.340 0.017 0.000 0.209 377 L C 2.949 179.809 176.870 -0.017 0.000 1.083 377 L CA 1.502 56.338 54.840 -0.006 0.000 0.752 377 L CB -0.449 41.614 42.059 0.006 0.000 0.899 377 L HN 0.547 nan 8.230 nan 0.000 0.433 378 S N 0.264 115.962 115.700 -0.003 0.000 2.368 378 S HA -0.173 4.307 4.470 0.017 0.000 0.225 378 S C 2.040 176.635 174.600 -0.009 0.000 1.030 378 S CA 1.200 59.396 58.200 -0.007 0.000 0.999 378 S CB -0.273 62.931 63.200 0.007 0.000 0.844 378 S HN 0.337 nan 8.310 nan 0.000 0.459 379 L N 0.758 121.983 121.223 0.004 0.000 2.083 379 L HA -0.047 4.304 4.340 0.017 0.000 0.209 379 L C 2.550 179.400 176.870 -0.033 0.000 1.083 379 L CA 1.060 55.899 54.840 -0.001 0.000 0.752 379 L CB -0.471 41.597 42.059 0.015 0.000 0.899 379 L HN 0.366 nan 8.230 nan 0.000 0.433 380 L N -0.867 120.331 121.223 -0.041 0.000 2.017 380 L HA -0.268 4.083 4.340 0.017 0.000 0.208 380 L C 2.657 179.482 176.870 -0.075 0.000 1.073 380 L CA 1.334 56.136 54.840 -0.064 0.000 0.745 380 L CB -0.512 41.508 42.059 -0.065 0.000 0.894 380 L HN 0.332 nan 8.230 nan 0.000 0.432 381 Q N -0.242 119.513 119.800 -0.075 0.000 2.112 381 Q HA -0.253 4.097 4.340 0.017 0.000 0.206 381 Q C 2.229 178.187 176.000 -0.069 0.000 0.987 381 Q CA 2.090 57.840 55.803 -0.088 0.000 0.858 381 Q CB -0.075 28.616 28.738 -0.078 0.000 0.905 381 Q HN 0.548 nan 8.270 nan 0.000 0.420 382 A N -0.461 122.329 122.820 -0.050 0.000 1.872 382 A HA -0.092 4.238 4.320 0.017 0.000 0.214 382 A C 1.683 179.244 177.584 -0.038 0.000 1.187 382 A CA 1.023 53.038 52.037 -0.037 0.000 0.614 382 A CB -0.175 18.815 19.000 -0.018 0.000 0.826 382 A HN 0.370 nan 8.150 nan 0.000 0.442 383 L N -1.802 119.391 121.223 -0.049 0.000 2.554 383 L HA 0.339 4.689 4.340 0.017 0.000 0.225 383 L C 1.947 178.774 176.870 -0.072 0.000 1.104 383 L CA 1.265 56.066 54.840 -0.065 0.000 0.866 383 L CB 0.067 42.065 42.059 -0.100 0.000 1.047 383 L HN 0.376 nan 8.230 nan 0.000 0.468 384 A N -1.485 121.290 122.820 -0.074 0.000 2.585 384 A HA 0.539 4.869 4.320 0.017 0.000 0.266 384 A C 1.407 178.942 177.584 -0.081 0.000 1.178 384 A CA 0.313 52.306 52.037 -0.074 0.000 0.966 384 A CB -0.232 18.721 19.000 -0.078 0.000 1.170 384 A HN 0.264 nan 8.150 nan 0.000 0.558 385 G N 0.257 109.009 108.800 -0.081 0.000 2.395 385 G HA2 0.077 4.047 3.960 0.017 0.000 0.300 385 G HA3 0.077 4.047 3.960 0.017 0.000 0.300 385 G C 0.486 175.304 174.900 -0.138 0.000 0.998 385 G CA 0.604 45.648 45.100 -0.093 0.000 1.046 385 G HN 1.652 nan 8.290 nan 0.000 0.513 386 A N -0.337 122.388 122.820 -0.160 0.000 2.407 386 A HA 0.735 5.066 4.320 0.017 0.000 0.248 386 A C 0.798 178.171 177.584 -0.351 0.000 1.082 386 A CA -0.059 51.831 52.037 -0.246 0.000 0.785 386 A CB 0.479 19.356 19.000 -0.204 0.000 1.020 386 A HN 0.623 nan 8.150 nan 0.000 0.489 387 R N 0.710 120.822 120.500 -0.646 0.000 2.346 387 R HA 0.551 4.901 4.340 0.017 0.000 0.311 387 R C -1.363 174.424 176.300 -0.855 0.000 0.983 387 R CA -0.251 55.353 56.100 -0.826 0.000 0.880 387 R CB 1.326 30.809 30.300 -1.362 0.000 1.100 387 R HN 0.524 nan 8.270 nan 0.000 0.453 388 V N 2.812 122.505 119.914 -0.368 0.000 2.604 388 V HA 0.539 4.669 4.120 0.017 0.000 0.305 388 V C 0.037 176.169 176.094 0.063 0.000 1.043 388 V CA -1.174 61.040 62.300 -0.145 0.000 0.888 388 V CB 1.720 33.495 31.823 -0.081 0.000 0.995 388 V HN 0.930 nan 8.190 nan 0.000 0.429 389 A N 2.662 125.603 122.820 0.202 0.000 2.371 389 A HA 0.422 4.752 4.320 0.017 0.000 0.257 389 A C 1.065 178.742 177.584 0.156 0.000 1.089 389 A CA -0.042 52.149 52.037 0.256 0.000 0.794 389 A CB 0.195 19.433 19.000 0.397 0.000 1.029 389 A HN 1.059 nan 8.150 nan 0.000 0.488 390 E N 1.541 121.812 120.200 0.119 0.000 2.285 390 E HA 0.213 4.573 4.350 0.017 0.000 0.194 390 E C 0.795 177.443 176.600 0.081 0.000 0.997 390 E CA 0.695 57.145 56.400 0.082 0.000 0.845 390 E CB -0.143 29.594 29.700 0.062 0.000 0.782 390 E HN 0.635 nan 8.360 nan 0.000 0.491 391 A N 1.410 124.284 122.820 0.091 0.000 2.279 391 A HA 0.606 4.937 4.320 0.017 0.000 0.303 391 A C -0.375 177.263 177.584 0.091 0.000 1.108 391 A CA -0.595 51.486 52.037 0.073 0.000 0.830 391 A CB 0.632 19.659 19.000 0.045 0.000 1.106 391 A HN 0.201 nan 8.150 nan 0.000 0.493 392 L N 0.485 121.754 121.223 0.076 0.000 2.333 392 L HA 0.461 4.811 4.340 0.017 0.000 0.263 392 L C -1.278 175.640 176.870 0.080 0.000 1.014 392 L CA -1.029 53.867 54.840 0.094 0.000 0.820 392 L CB 1.820 43.929 42.059 0.084 0.000 1.352 392 L HN 0.480 nan 8.230 nan 0.000 0.421 393 L N 1.749 123.041 121.223 0.114 0.000 2.265 393 L HA 0.399 4.749 4.340 0.017 0.000 0.289 393 L C -0.151 176.812 176.870 0.155 0.000 1.033 393 L CA 0.288 55.201 54.840 0.122 0.000 0.814 393 L CB 1.114 43.277 42.059 0.173 0.000 1.203 393 L HN 0.497 nan 8.230 nan 0.000 0.423 394 E N 1.979 122.262 120.200 0.138 0.000 2.227 394 E HA 0.857 5.218 4.350 0.017 0.000 0.268 394 E C -1.303 175.409 176.600 0.185 0.000 0.907 394 E CA -0.879 55.622 56.400 0.167 0.000 0.786 394 E CB 1.947 31.741 29.700 0.157 0.000 1.191 394 E HN 0.605 nan 8.360 nan 0.000 0.411 395 A N 2.482 125.449 122.820 0.245 0.000 2.499 395 A HA 0.678 5.008 4.320 0.017 0.000 0.280 395 A C -0.387 177.341 177.584 0.241 0.000 1.135 395 A CA 0.049 52.210 52.037 0.208 0.000 0.744 395 A CB 0.920 20.031 19.000 0.186 0.000 1.213 395 A HN 0.848 nan 8.150 nan 0.000 0.434 396 G N 1.654 110.536 108.800 0.136 0.000 3.421 396 G HA2 0.264 4.234 3.960 0.017 0.000 0.686 396 G HA3 0.264 4.234 3.960 0.017 0.000 0.686 396 G C -0.356 174.503 174.900 -0.068 0.000 1.056 396 G CA -0.354 44.784 45.100 0.063 0.000 0.891 396 G HN 1.769 nan 8.290 nan 0.000 0.514 397 S N 3.691 119.337 115.700 -0.091 0.000 2.423 397 S HA 0.702 5.182 4.470 0.017 0.000 0.317 397 S C -1.683 172.818 174.600 -0.166 0.000 1.065 397 S CA -1.084 57.027 58.200 -0.149 0.000 1.111 397 S CB 1.743 64.905 63.200 -0.063 0.000 0.968 397 S HN 0.766 nan 8.310 nan 0.000 0.474 398 P HA 0.436 nan 4.420 nan 0.000 0.284 398 P C -0.517 176.724 177.300 -0.098 0.000 1.258 398 P CA -0.837 62.165 63.100 -0.164 0.000 0.824 398 P CB 0.778 32.359 31.700 -0.199 0.000 1.038 399 K N 1.748 122.114 120.400 -0.056 0.000 2.154 399 K HA 0.370 4.700 4.320 0.017 0.000 0.264 399 K C -2.004 174.582 176.600 -0.024 0.000 1.008 399 K CA -1.324 54.943 56.287 -0.034 0.000 0.937 399 K CB -0.010 32.477 32.500 -0.021 0.000 1.002 399 K HN 0.419 nan 8.250 nan 0.000 0.469 400 P HA 0.258 nan 4.420 nan 0.000 0.276 400 P C -2.532 174.763 177.300 -0.008 0.000 1.261 400 P CA -1.178 61.916 63.100 -0.010 0.000 0.800 400 P CB -0.115 31.581 31.700 -0.006 0.000 1.066 401 P HA 0.276 nan 4.420 nan 0.000 0.276 401 P C -0.565 176.733 177.300 -0.005 0.000 1.252 401 P CA -0.190 62.904 63.100 -0.011 0.000 0.802 401 P CB 0.914 32.600 31.700 -0.022 0.000 1.035 402 E N -0.548 119.652 120.200 -0.000 0.000 2.239 402 E HA 0.564 4.924 4.350 0.017 0.000 0.261 402 E C -0.280 176.327 176.600 0.012 0.000 1.016 402 E CA -1.033 55.371 56.400 0.007 0.000 0.882 402 E CB 1.091 30.797 29.700 0.010 0.000 1.190 402 E HN 0.523 nan 8.360 nan 0.000 0.415 403 A N 1.410 124.242 122.820 0.021 0.000 2.425 403 A HA 0.338 4.668 4.320 0.017 0.000 0.249 403 A C -0.426 177.185 177.584 0.044 0.000 1.084 403 A CA 0.016 52.073 52.037 0.033 0.000 0.781 403 A CB -0.063 18.963 19.000 0.043 0.000 1.019 403 A HN 0.481 nan 8.150 nan 0.000 0.490 404 I N 3.861 124.466 120.570 0.058 0.000 2.378 404 I HA 0.324 4.504 4.170 0.017 0.000 0.291 404 I C -2.056 174.143 176.117 0.136 0.000 0.992 404 I CA -2.183 59.165 61.300 0.081 0.000 1.154 404 I CB 2.206 40.248 38.000 0.071 0.000 1.315 404 I HN 0.465 nan 8.210 nan 0.000 0.448 405 P HA 0.078 nan 4.420 nan 0.000 0.271 405 P C -1.051 176.417 177.300 0.280 0.000 1.220 405 P CA 0.133 63.331 63.100 0.163 0.000 0.768 405 P CB 0.551 32.304 31.700 0.088 0.000 0.848 406 F N 4.389 124.422 119.950 0.138 0.000 2.562 406 F HA 0.413 4.950 4.527 0.017 0.000 0.319 406 F C -0.397 175.545 175.800 0.237 0.000 1.154 406 F CA -0.984 57.120 58.000 0.173 0.000 0.931 406 F CB 1.900 40.985 39.000 0.142 0.000 1.198 406 F HN 0.146 nan 8.300 nan 0.000 0.444 407 R N 7.211 127.381 120.500 -0.549 0.000 2.272 407 R HA 0.325 4.675 4.340 0.017 0.000 0.323 407 R C -2.277 173.652 176.300 -0.618 0.000 1.002 407 R CA -1.681 54.196 56.100 -0.371 0.000 0.900 407 R CB 0.992 31.223 30.300 -0.114 0.000 1.151 407 R HN 0.352 nan 8.270 nan 0.000 0.507 408 P HA -0.292 nan 4.420 nan 0.000 0.216 408 P C 1.167 178.414 177.300 -0.088 0.000 1.154 408 P CA 1.168 64.141 63.100 -0.212 0.000 0.865 408 P CB 0.312 32.046 31.700 0.058 0.000 0.789 409 E N -0.869 119.307 120.200 -0.040 0.000 2.038 409 E HA -0.237 4.123 4.350 0.017 0.000 0.195 409 E C 2.001 178.608 176.600 0.011 0.000 1.000 409 E CA 1.417 57.816 56.400 -0.000 0.000 0.803 409 E CB -0.989 28.720 29.700 0.015 0.000 0.750 409 E HN 0.200 nan 8.360 nan 0.000 0.448 410 Y N 1.213 121.435 120.300 -0.130 0.000 2.165 410 Y HA -0.219 4.341 4.550 0.017 0.000 0.286 410 Y C 2.184 178.039 175.900 -0.075 0.000 1.155 410 Y CA 1.788 59.824 58.100 -0.107 0.000 1.164 410 Y CB -0.967 37.412 38.460 -0.135 0.000 0.978 410 Y HN 0.096 nan 8.280 nan 0.000 0.513 411 A N 0.980 123.618 122.820 -0.303 0.000 1.859 411 A HA -0.306 4.024 4.320 0.017 0.000 0.217 411 A C 2.270 179.748 177.584 -0.177 0.000 1.198 411 A CA 2.195 54.082 52.037 -0.249 0.000 0.629 411 A CB -1.115 17.909 19.000 0.039 0.000 0.830 411 A HN 0.619 nan 8.150 nan 0.000 0.446 412 N N -0.694 117.956 118.700 -0.085 0.000 2.069 412 N HA -0.185 4.566 4.740 0.017 0.000 0.191 412 N C 1.903 177.337 175.510 -0.126 0.000 1.031 412 N CA 1.576 54.564 53.050 -0.104 0.000 0.852 412 N CB -0.459 37.981 38.487 -0.078 0.000 1.018 412 N HN 0.557 nan 8.380 nan 0.000 0.423 413 R N 0.376 120.815 120.500 -0.100 0.000 2.103 413 R HA -0.132 4.219 4.340 0.017 0.000 0.242 413 R C 2.128 178.367 176.300 -0.102 0.000 1.142 413 R CA 1.151 57.214 56.100 -0.061 0.000 0.960 413 R CB -0.337 29.985 30.300 0.035 0.000 0.858 413 R HN 0.122 nan 8.270 nan 0.000 0.439 414 L N 0.450 121.540 121.223 -0.222 0.000 2.109 414 L HA -0.058 4.292 4.340 0.017 0.000 0.207 414 L C 1.789 178.563 176.870 -0.159 0.000 1.086 414 L CA 1.566 56.267 54.840 -0.231 0.000 0.760 414 L CB -0.117 41.656 42.059 -0.476 0.000 0.910 414 L HN 0.201 nan 8.230 nan 0.000 0.437 415 L N -0.816 120.314 121.223 -0.155 0.000 2.162 415 L HA 0.221 4.571 4.340 0.017 0.000 0.205 415 L C 1.335 178.129 176.870 -0.127 0.000 1.086 415 L CA 0.676 55.438 54.840 -0.129 0.000 0.778 415 L CB -0.628 41.375 42.059 -0.094 0.000 0.928 415 L HN 0.471 nan 8.230 nan 0.000 0.446 416 G N 1.296 110.016 108.800 -0.133 0.000 2.270 416 G HA2 -0.199 3.771 3.960 0.017 0.000 0.224 416 G HA3 -0.199 3.771 3.960 0.017 0.000 0.224 416 G C 0.140 174.941 174.900 -0.166 0.000 1.079 416 G CA 0.175 45.204 45.100 -0.119 0.000 0.807 416 G HN 0.410 nan 8.290 nan 0.000 0.492 417 T N -2.980 111.429 114.554 -0.242 0.000 2.742 417 T HA 0.830 5.190 4.350 0.017 0.000 0.282 417 T C 0.272 174.743 174.700 -0.382 0.000 1.025 417 T CA 0.182 62.039 62.100 -0.405 0.000 1.020 417 T CB 2.048 70.436 68.868 -0.799 0.000 1.317 417 T HN 1.406 nan 8.240 nan 0.000 0.538 418 S N 0.147 115.569 115.700 -0.462 0.000 2.235 418 S HA 0.387 4.867 4.470 0.017 0.000 0.152 418 S C -1.288 173.217 174.600 -0.158 0.000 1.649 418 S CA -0.838 57.217 58.200 -0.241 0.000 1.277 418 S CB -0.837 62.286 63.200 -0.127 0.000 1.299 418 S HN 0.597 nan 8.310 nan 0.000 0.388 419 Y N 2.742 123.047 120.300 0.007 0.000 2.304 419 Y HA 0.489 5.050 4.550 0.017 0.000 0.328 419 Y C -2.168 173.743 175.900 0.019 0.000 1.123 419 Y CA -2.561 55.548 58.100 0.014 0.000 1.218 419 Y CB 0.202 38.675 38.460 0.022 0.000 1.207 419 Y HN 0.285 nan 8.280 nan 0.000 0.495 420 P HA 0.054 nan 4.420 nan 0.000 0.276 420 P C 0.488 177.850 177.300 0.103 0.000 1.235 420 P CA -0.089 63.077 63.100 0.109 0.000 0.772 420 P CB 1.245 32.992 31.700 0.078 0.000 0.871 421 E N 2.966 123.223 120.200 0.095 0.000 2.181 421 E HA -0.352 4.008 4.350 0.017 0.000 0.225 421 E C 1.902 178.528 176.600 0.043 0.000 1.073 421 E CA 2.534 58.986 56.400 0.086 0.000 0.916 421 E CB -0.422 29.339 29.700 0.101 0.000 0.793 421 E HN 0.591 nan 8.360 nan 0.000 0.472 422 A N 0.637 123.477 122.820 0.034 0.000 1.903 422 A HA -0.320 4.010 4.320 0.017 0.000 0.219 422 A C 2.006 179.585 177.584 -0.009 0.000 1.191 422 A CA 2.124 54.165 52.037 0.007 0.000 0.638 422 A CB -0.745 18.265 19.000 0.017 0.000 0.823 422 A HN 0.405 nan 8.150 nan 0.000 0.451 423 E N -0.612 119.591 120.200 0.004 0.000 2.097 423 E HA -0.259 4.101 4.350 0.017 0.000 0.196 423 E C 2.356 178.926 176.600 -0.050 0.000 1.000 423 E CA 1.659 58.045 56.400 -0.024 0.000 0.804 423 E CB -0.131 29.562 29.700 -0.011 0.000 0.740 423 E HN 0.775 nan 8.360 nan 0.000 0.454 424 Q N -0.115 119.677 119.800 -0.014 0.000 2.020 424 Q HA -0.194 4.157 4.340 0.017 0.000 0.202 424 Q C 2.300 178.263 176.000 -0.061 0.000 0.982 424 Q CA 1.222 57.020 55.803 -0.008 0.000 0.838 424 Q CB -0.160 28.657 28.738 0.133 0.000 0.899 424 Q HN 0.353 nan 8.270 nan 0.000 0.423 425 I N 1.309 121.836 120.570 -0.072 0.000 2.118 425 I HA -0.278 3.902 4.170 0.017 0.000 0.241 425 I C 2.542 178.599 176.117 -0.100 0.000 1.070 425 I CA 1.544 62.767 61.300 -0.129 0.000 1.327 425 I CB -1.899 36.006 38.000 -0.158 0.000 1.034 425 I HN 0.131 nan 8.210 nan 0.000 0.405 426 A N 1.349 124.125 122.820 -0.072 0.000 1.896 426 A HA -0.254 4.076 4.320 0.017 0.000 0.220 426 A C 2.452 179.996 177.584 -0.067 0.000 1.206 426 A CA 2.201 54.202 52.037 -0.059 0.000 0.647 426 A CB -1.055 17.914 19.000 -0.052 0.000 0.828 426 A HN 0.414 nan 8.150 nan 0.000 0.455 427 I N -0.366 120.154 120.570 -0.084 0.000 2.069 427 I HA -0.311 3.869 4.170 0.017 0.000 0.237 427 I C 2.492 178.557 176.117 -0.085 0.000 1.053 427 I CA 1.653 62.900 61.300 -0.089 0.000 1.311 427 I CB -0.425 37.508 38.000 -0.110 0.000 1.030 427 I HN 0.348 nan 8.210 nan 0.000 0.398 428 L N 0.255 121.402 121.223 -0.126 0.000 2.051 428 L HA -0.308 4.042 4.340 0.017 0.000 0.214 428 L C 2.579 179.398 176.870 -0.085 0.000 1.076 428 L CA 1.757 56.510 54.840 -0.144 0.000 0.758 428 L CB -0.793 41.127 42.059 -0.231 0.000 0.890 428 L HN 0.293 nan 8.230 nan 0.000 0.433 429 K N -0.428 119.931 120.400 -0.068 0.000 2.057 429 K HA -0.133 4.197 4.320 0.017 0.000 0.206 429 K C 2.253 178.859 176.600 0.011 0.000 1.050 429 K CA 0.981 57.251 56.287 -0.029 0.000 0.935 429 K CB -0.071 32.413 32.500 -0.027 0.000 0.715 429 K HN 0.215 nan 8.250 nan 0.000 0.439 430 R N 0.577 121.086 120.500 0.014 0.000 2.193 430 R HA -0.048 4.302 4.340 0.017 0.000 0.229 430 R C 1.824 178.201 176.300 0.128 0.000 1.110 430 R CA 0.794 56.941 56.100 0.078 0.000 0.988 430 R CB -0.101 30.195 30.300 -0.006 0.000 0.871 430 R HN 0.215 nan 8.270 nan 0.000 0.458 431 L N -0.351 120.905 121.223 0.055 0.000 2.591 431 L HA 0.115 4.465 4.340 0.017 0.000 0.228 431 L C 0.832 177.736 176.870 0.057 0.000 1.133 431 L CA 0.343 55.218 54.840 0.059 0.000 0.880 431 L CB 0.304 42.367 42.059 0.007 0.000 1.033 431 L HN 0.377 nan 8.230 nan 0.000 0.450 432 G N -0.660 108.168 108.800 0.047 0.000 2.171 432 G HA2 -0.234 3.737 3.960 0.017 0.000 0.238 432 G HA3 -0.234 3.737 3.960 0.017 0.000 0.238 432 G C 0.010 174.910 174.900 0.001 0.000 1.039 432 G CA -0.155 44.970 45.100 0.041 0.000 0.759 432 G HN 0.301 nan 8.290 nan 0.000 0.501 433 C N -0.031 119.255 119.300 -0.023 0.000 2.365 433 C HA 0.795 5.265 4.460 0.017 0.000 0.349 433 C C 0.957 175.931 174.990 -0.026 0.000 1.191 433 C CA -0.826 58.166 59.018 -0.043 0.000 2.114 433 C CB 1.413 29.106 27.740 -0.079 0.000 2.367 433 C HN 0.581 nan 8.230 nan 0.000 0.530 434 R N 1.464 121.954 120.500 -0.017 0.000 2.346 434 R HA 0.634 4.985 4.340 0.017 0.000 0.311 434 R C -1.644 174.662 176.300 0.010 0.000 0.983 434 R CA -0.177 55.924 56.100 0.001 0.000 0.880 434 R CB 1.062 31.368 30.300 0.010 0.000 1.100 434 R HN 0.620 nan 8.270 nan 0.000 0.453 435 V N 4.442 124.368 119.914 0.020 0.000 2.349 435 V HA 0.304 4.434 4.120 0.017 0.000 0.284 435 V C -0.427 175.731 176.094 0.106 0.000 1.014 435 V CA -0.706 61.624 62.300 0.050 0.000 0.826 435 V CB 1.444 33.259 31.823 -0.014 0.000 1.009 435 V HN 0.807 nan 8.190 nan 0.000 0.431 436 E N 2.340 122.626 120.200 0.142 0.000 2.243 436 E HA 0.863 5.223 4.350 0.017 0.000 0.260 436 E C 0.286 177.018 176.600 0.220 0.000 0.985 436 E CA 0.031 56.518 56.400 0.145 0.000 0.858 436 E CB 2.013 31.767 29.700 0.090 0.000 1.210 436 E HN 1.074 nan 8.360 nan 0.000 0.411 437 G N 0.750 109.636 108.800 0.143 0.000 2.587 437 G HA2 -0.137 3.833 3.960 0.017 0.000 0.686 437 G HA3 -0.137 3.833 3.960 0.017 0.000 0.686 437 G C -0.181 174.728 174.900 0.015 0.000 1.236 437 G CA -0.582 44.543 45.100 0.042 0.000 0.820 437 G HN 0.463 nan 8.290 nan 0.000 0.645 438 E N -0.161 119.945 120.200 -0.156 0.000 2.460 438 E HA 0.472 4.832 4.350 0.017 0.000 0.200 438 E C 1.278 177.695 176.600 -0.304 0.000 1.011 438 E CA 1.914 58.249 56.400 -0.108 0.000 0.912 438 E CB 0.273 29.939 29.700 -0.057 0.000 0.953 438 E HN 2.298 nan 8.360 nan 0.000 0.494 439 G N 0.757 109.072 108.800 -0.808 0.000 2.570 439 G HA2 -0.122 3.848 3.960 0.017 0.000 0.686 439 G HA3 -0.122 3.848 3.960 0.017 0.000 0.686 439 G C -2.027 172.650 174.900 -0.372 0.000 1.257 439 G CA -0.316 44.293 45.100 -0.817 0.000 0.846 439 G HN 0.025 nan 8.290 nan 0.000 0.627 440 P HA 0.158 nan 4.420 nan 0.000 0.240 440 P C 0.808 178.011 177.300 -0.161 0.000 1.190 440 P CA 1.487 64.497 63.100 -0.151 0.000 0.781 440 P CB 0.453 32.118 31.700 -0.059 0.000 0.931 441 T N -0.758 113.655 114.554 -0.235 0.000 2.797 441 T HA 0.468 4.828 4.350 0.017 0.000 0.279 441 T C -1.127 173.460 174.700 -0.189 0.000 0.991 441 T CA -0.523 61.515 62.100 -0.102 0.000 0.979 441 T CB 0.602 69.435 68.868 -0.059 0.000 0.943 441 T HN -0.208 nan 8.240 nan 0.000 0.444 442 Y N 2.170 122.524 120.300 0.090 0.000 2.534 442 Y HA 0.595 5.155 4.550 0.017 0.000 0.329 442 Y C 0.938 176.911 175.900 0.122 0.000 1.154 442 Y CA -1.258 56.914 58.100 0.120 0.000 1.192 442 Y CB 1.410 39.979 38.460 0.181 0.000 1.275 442 Y HN 0.468 nan 8.280 nan 0.000 0.491 443 R N 1.382 122.042 120.500 0.267 0.000 2.233 443 R HA 0.499 4.849 4.340 0.017 0.000 0.334 443 R C -1.607 174.782 176.300 0.149 0.000 1.037 443 R CA -0.506 55.692 56.100 0.164 0.000 0.920 443 R CB 0.587 30.950 30.300 0.104 0.000 1.137 443 R HN 0.295 nan 8.270 nan 0.000 0.492 444 V N 3.123 123.113 119.914 0.127 0.000 2.357 444 V HA 0.237 4.367 4.120 0.017 0.000 0.284 444 V C 0.040 176.149 176.094 0.024 0.000 1.018 444 V CA -0.581 61.754 62.300 0.057 0.000 0.841 444 V CB 1.783 33.610 31.823 0.007 0.000 0.991 444 V HN 0.679 nan 8.190 nan 0.000 0.437 445 T N 8.090 122.649 114.554 0.008 0.000 2.756 445 T HA 0.428 4.789 4.350 0.017 0.000 0.290 445 T C -2.489 172.192 174.700 -0.031 0.000 0.985 445 T CA -1.176 60.922 62.100 -0.005 0.000 0.955 445 T CB 1.691 70.561 68.868 0.003 0.000 0.930 445 T HN 0.466 nan 8.240 nan 0.000 0.451 446 P HA 0.347 nan 4.420 nan 0.000 0.276 446 P C -2.770 174.468 177.300 -0.103 0.000 1.244 446 P CA -2.028 61.020 63.100 -0.087 0.000 0.801 446 P CB -0.145 31.497 31.700 -0.097 0.000 1.006 447 P HA 0.016 nan 4.420 nan 0.000 0.275 447 P C 1.127 178.285 177.300 -0.237 0.000 1.228 447 P CA 0.034 63.028 63.100 -0.177 0.000 0.786 447 P CB 0.310 31.872 31.700 -0.231 0.000 0.927 448 S N 1.700 117.346 115.700 -0.089 0.000 2.399 448 S HA -0.235 4.246 4.470 0.017 0.000 0.231 448 S C 1.695 176.268 174.600 -0.046 0.000 1.022 448 S CA 1.122 59.293 58.200 -0.049 0.000 0.983 448 S CB -1.504 61.706 63.200 0.017 0.000 0.803 448 S HN 0.682 nan 8.310 nan 0.000 0.480 449 H N 0.273 119.335 119.070 -0.014 0.000 2.545 449 H HA 0.173 4.740 4.556 0.017 0.000 0.282 449 H C 0.162 175.480 175.328 -0.017 0.000 1.020 449 H CA 0.350 56.386 56.048 -0.020 0.000 1.243 449 H CB -0.342 29.398 29.762 -0.038 0.000 1.377 449 H HN 0.145 nan 8.280 nan 0.000 0.581 450 R N 1.655 121.927 120.500 -0.381 0.000 2.205 450 R HA 0.230 4.580 4.340 0.017 0.000 0.342 450 R C 1.031 177.269 176.300 -0.104 0.000 1.058 450 R CA -0.301 55.664 56.100 -0.224 0.000 0.904 450 R CB 0.615 30.735 30.300 -0.300 0.000 1.089 450 R HN 0.370 nan 8.270 nan 0.000 0.471 451 L N 1.187 122.386 121.223 -0.039 0.000 2.463 451 L HA 0.053 4.403 4.340 0.017 0.000 0.219 451 L C 1.435 178.298 176.870 -0.012 0.000 1.088 451 L CA 0.269 55.098 54.840 -0.018 0.000 0.849 451 L CB -0.098 41.964 42.059 0.004 0.000 1.012 451 L HN 0.437 nan 8.230 nan 0.000 0.468 452 D N 1.031 121.425 120.400 -0.011 0.000 2.363 452 D HA -0.074 4.576 4.640 0.017 0.000 0.220 452 D C 0.755 177.050 176.300 -0.008 0.000 0.994 452 D CA 0.392 54.390 54.000 -0.004 0.000 0.890 452 D CB 0.130 40.930 40.800 0.001 0.000 0.906 452 D HN 0.302 nan 8.370 nan 0.000 0.530 453 L N 1.229 122.438 121.223 -0.022 0.000 2.287 453 L HA 0.341 4.692 4.340 0.017 0.000 0.280 453 L C 1.113 177.976 176.870 -0.012 0.000 1.055 453 L CA -0.481 54.344 54.840 -0.024 0.000 0.863 453 L CB 1.142 43.170 42.059 -0.052 0.000 1.245 453 L HN -0.197 nan 8.230 nan 0.000 0.432 454 R N 1.945 122.450 120.500 0.007 0.000 2.302 454 R HA 0.406 4.756 4.340 0.017 0.000 0.187 454 R C 0.408 176.729 176.300 0.035 0.000 0.904 454 R CA 0.337 56.447 56.100 0.016 0.000 1.105 454 R CB 0.407 30.717 30.300 0.017 0.000 1.239 454 R HN 0.370 nan 8.270 nan 0.000 0.620 455 L N 0.715 121.967 121.223 0.048 0.000 2.448 455 L HA 0.304 4.655 4.340 0.017 0.000 0.258 455 L C 1.839 178.778 176.870 0.116 0.000 1.104 455 L CA -0.344 54.542 54.840 0.075 0.000 0.800 455 L CB 0.713 42.817 42.059 0.075 0.000 1.241 455 L HN 0.129 nan 8.230 nan 0.000 0.472 456 E N 0.236 120.536 120.200 0.168 0.000 2.106 456 E HA -0.206 4.154 4.350 0.017 0.000 0.192 456 E C 1.512 178.291 176.600 0.299 0.000 0.984 456 E CA 1.375 57.946 56.400 0.285 0.000 0.806 456 E CB 0.333 30.218 29.700 0.308 0.000 0.750 456 E HN 0.647 nan 8.360 nan 0.000 0.458 457 E N 1.097 121.440 120.200 0.238 0.000 2.077 457 E HA -0.188 4.172 4.350 0.017 0.000 0.193 457 E C 1.730 178.400 176.600 0.117 0.000 0.989 457 E CA 1.380 57.889 56.400 0.182 0.000 0.800 457 E CB -0.173 29.617 29.700 0.149 0.000 0.746 457 E HN 0.313 nan 8.360 nan 0.000 0.452 458 D N -0.140 120.315 120.400 0.092 0.000 2.123 458 D HA -0.145 4.506 4.640 0.017 0.000 0.196 458 D C 1.766 178.088 176.300 0.036 0.000 0.992 458 D CA 0.742 54.773 54.000 0.052 0.000 0.833 458 D CB -0.107 40.713 40.800 0.034 0.000 0.954 458 D HN 0.091 nan 8.370 nan 0.000 0.455 459 L N 0.431 121.681 121.223 0.044 0.000 2.131 459 L HA -0.119 4.231 4.340 0.017 0.000 0.210 459 L C 2.425 179.288 176.870 -0.011 0.000 1.092 459 L CA 0.915 55.724 54.840 -0.051 0.000 0.759 459 L CB -0.547 41.449 42.059 -0.105 0.000 0.903 459 L HN -0.078 nan 8.230 nan 0.000 0.435 460 V N -0.590 119.411 119.914 0.144 0.000 2.323 460 V HA -0.264 3.867 4.120 0.017 0.000 0.244 460 V C 2.459 178.606 176.094 0.088 0.000 1.041 460 V CA 1.548 63.945 62.300 0.161 0.000 1.025 460 V CB -0.552 31.330 31.823 0.098 0.000 0.656 460 V HN 0.582 nan 8.190 nan 0.000 0.451 461 E N 0.224 120.468 120.200 0.073 0.000 2.233 461 E HA -0.290 4.071 4.350 0.017 0.000 0.199 461 E C 1.961 178.621 176.600 0.100 0.000 1.004 461 E CA 1.727 58.186 56.400 0.098 0.000 0.819 461 E CB -0.060 29.690 29.700 0.084 0.000 0.738 461 E HN 0.610 nan 8.360 nan 0.000 0.478 462 E N 0.378 120.600 120.200 0.037 0.000 2.015 462 E HA -0.127 4.233 4.350 0.017 0.000 0.191 462 E C 2.396 178.992 176.600 -0.007 0.000 0.991 462 E CA 1.264 57.663 56.400 -0.002 0.000 0.802 462 E CB -0.541 29.124 29.700 -0.057 0.000 0.759 462 E HN 0.247 nan 8.360 nan 0.000 0.447 463 V N 2.179 122.080 119.914 -0.020 0.000 2.324 463 V HA -0.309 3.821 4.120 0.017 0.000 0.250 463 V C 2.466 178.538 176.094 -0.037 0.000 1.060 463 V CA 1.964 64.232 62.300 -0.053 0.000 1.042 463 V CB -1.037 30.789 31.823 0.006 0.000 0.650 463 V HN 0.262 nan 8.190 nan 0.000 0.450 464 A N 1.557 124.430 122.820 0.088 0.000 1.841 464 A HA -0.277 4.054 4.320 0.017 0.000 0.216 464 A C 2.376 180.116 177.584 0.260 0.000 1.199 464 A CA 2.423 54.583 52.037 0.204 0.000 0.621 464 A CB -0.671 18.470 19.000 0.235 0.000 0.835 464 A HN 0.678 nan 8.150 nan 0.000 0.445 465 R N -0.710 119.925 120.500 0.225 0.000 2.105 465 R HA -0.083 4.268 4.340 0.017 0.000 0.239 465 R C 1.673 177.964 176.300 -0.015 0.000 1.135 465 R CA 1.730 57.831 56.100 0.003 0.000 0.967 465 R CB -0.629 29.610 30.300 -0.103 0.000 0.861 465 R HN 0.417 nan 8.270 nan 0.000 0.442 466 I N 1.268 121.830 120.570 -0.014 0.000 2.439 466 I HA -0.119 4.061 4.170 0.017 0.000 0.251 466 I C 2.323 178.402 176.117 -0.064 0.000 1.139 466 I CA 1.143 62.420 61.300 -0.039 0.000 1.438 466 I CB -0.815 37.151 38.000 -0.057 0.000 1.085 466 I HN 0.271 nan 8.210 nan 0.000 0.427 467 Q N 0.710 120.450 119.800 -0.100 0.000 2.187 467 Q HA 0.130 4.481 4.340 0.017 0.000 0.199 467 Q C 0.770 176.766 176.000 -0.006 0.000 0.957 467 Q CA 0.820 56.530 55.803 -0.155 0.000 0.857 467 Q CB 0.252 28.718 28.738 -0.454 0.000 0.929 467 Q HN 0.559 nan 8.270 nan 0.000 0.453 468 G N -0.052 108.789 108.800 0.069 0.000 3.363 468 G HA2 -0.169 3.802 3.960 0.017 0.000 0.685 468 G HA3 -0.169 3.802 3.960 0.017 0.000 0.685 468 G C -0.342 174.714 174.900 0.260 0.000 1.199 468 G CA -0.569 44.601 45.100 0.117 0.000 0.946 468 G HN 0.034 nan 8.290 nan 0.000 0.558 469 Y N 1.105 121.425 120.300 0.033 0.000 2.315 469 Y HA -0.146 4.414 4.550 0.017 0.000 0.288 469 Y C 2.787 178.711 175.900 0.040 0.000 1.154 469 Y CA 1.883 60.005 58.100 0.037 0.000 1.229 469 Y CB 0.050 38.520 38.460 0.017 0.000 0.980 469 Y HN 0.839 nan 8.280 nan 0.000 0.540 470 E N -0.022 120.296 120.200 0.196 0.000 2.347 470 E HA -0.129 4.231 4.350 0.017 0.000 0.196 470 E C 1.512 178.171 176.600 0.098 0.000 1.008 470 E CA 1.527 57.997 56.400 0.117 0.000 0.852 470 E CB -0.961 28.791 29.700 0.086 0.000 0.783 470 E HN 0.497 nan 8.360 nan 0.000 0.505 471 T N -0.935 113.696 114.554 0.129 0.000 3.148 471 T HA 0.188 4.549 4.350 0.017 0.000 0.253 471 T C 1.076 175.842 174.700 0.109 0.000 1.134 471 T CA -0.261 61.919 62.100 0.134 0.000 1.051 471 T CB -0.472 68.520 68.868 0.206 0.000 0.959 471 T HN 0.045 nan 8.240 nan 0.000 0.525 472 I N 3.997 124.615 120.570 0.080 0.000 2.371 472 I HA 0.312 4.492 4.170 0.017 0.000 0.290 472 I C -1.645 174.463 176.117 -0.016 0.000 1.028 472 I CA -2.597 58.705 61.300 0.004 0.000 1.345 472 I CB 1.111 39.089 38.000 -0.036 0.000 1.407 472 I HN 0.127 nan 8.210 nan 0.000 0.501 473 P HA 0.193 nan 4.420 nan 0.000 0.274 473 P C -0.995 176.284 177.300 -0.034 0.000 1.260 473 P CA -0.462 62.617 63.100 -0.036 0.000 0.793 473 P CB 0.873 32.543 31.700 -0.050 0.000 1.048 474 L N -0.019 121.188 121.223 -0.027 0.000 2.317 474 L HA 0.703 5.053 4.340 0.017 0.000 0.281 474 L C 0.215 177.068 176.870 -0.027 0.000 1.024 474 L CA -0.130 54.695 54.840 -0.025 0.000 0.810 474 L CB 1.019 43.068 42.059 -0.017 0.000 1.240 474 L HN 0.669 nan 8.230 nan 0.000 0.427 475 A N 3.708 126.511 122.820 -0.027 0.000 2.599 475 A HA 0.895 5.225 4.320 0.017 0.000 0.290 475 A C -1.927 175.643 177.584 -0.022 0.000 1.101 475 A CA -0.542 51.479 52.037 -0.026 0.000 0.674 475 A CB 1.352 20.336 19.000 -0.028 0.000 1.277 475 A HN 0.504 nan 8.150 nan 0.000 0.419 476 L N 1.678 122.888 121.223 -0.022 0.000 2.436 476 L HA 0.585 4.936 4.340 0.017 0.000 0.268 476 L C -2.168 174.692 176.870 -0.016 0.000 0.974 476 L CA -1.520 53.306 54.840 -0.023 0.000 0.826 476 L CB 2.119 44.155 42.059 -0.038 0.000 1.291 476 L HN 0.721 nan 8.230 nan 0.000 0.406 477 P HA 0.636 nan 4.420 nan 0.000 0.281 477 P C -1.360 175.924 177.300 -0.027 0.000 1.249 477 P CA -0.480 62.653 63.100 0.056 0.000 0.810 477 P CB 1.944 33.748 31.700 0.175 0.000 1.008 478 A N 2.417 125.238 122.820 0.002 0.000 2.375 478 A HA 0.772 5.103 4.320 0.017 0.000 0.295 478 A C -0.993 176.556 177.584 -0.058 0.000 1.066 478 A CA -0.577 51.364 52.037 -0.160 0.000 0.722 478 A CB 0.613 19.525 19.000 -0.147 0.000 1.206 478 A HN 0.576 nan 8.150 nan 0.000 0.435 479 F N -0.667 119.142 119.950 -0.235 0.000 2.744 479 F HA 0.750 5.287 4.527 0.017 0.000 0.311 479 F C -1.846 173.784 175.800 -0.283 0.000 1.144 479 F CA -1.912 55.959 58.000 -0.216 0.000 0.938 479 F CB 0.682 39.647 39.000 -0.057 0.000 1.292 479 F HN 0.296 nan 8.300 nan 0.000 0.444 480 F N 3.118 123.218 119.950 0.250 0.000 2.404 480 F HA 0.537 5.074 4.527 0.017 0.000 0.358 480 F C -1.916 174.062 175.800 0.296 0.000 1.120 480 F CA -1.913 56.177 58.000 0.151 0.000 1.144 480 F CB 0.552 39.605 39.000 0.090 0.000 1.133 480 F HN 0.223 nan 8.300 nan 0.000 0.495 481 P HA 0.144 nan 4.420 nan 0.000 0.268 481 P C -0.456 176.982 177.300 0.229 0.000 1.204 481 P CA -0.339 62.989 63.100 0.381 0.000 0.768 481 P CB 0.749 32.607 31.700 0.264 0.000 0.842 482 A N 6.235 129.152 122.820 0.162 0.000 2.609 482 A HA 0.048 4.378 4.320 0.017 0.000 0.232 482 A C -0.685 176.950 177.584 0.086 0.000 1.041 482 A CA -0.520 51.573 52.037 0.094 0.000 0.753 482 A CB -0.968 18.063 19.000 0.051 0.000 0.966 482 A HN 0.493 nan 8.150 nan 0.000 0.510 483 P HA -0.205 nan 4.420 nan 0.000 0.216 483 P C 0.679 178.005 177.300 0.044 0.000 1.150 483 P CA 1.652 64.783 63.100 0.051 0.000 0.837 483 P CB -0.203 31.517 31.700 0.034 0.000 0.786 484 D N -0.991 119.431 120.400 0.038 0.000 2.392 484 D HA -0.103 4.547 4.640 0.017 0.000 0.228 484 D C 0.915 177.236 176.300 0.036 0.000 1.003 484 D CA 0.452 54.471 54.000 0.032 0.000 0.917 484 D CB -0.662 40.153 40.800 0.024 0.000 0.890 484 D HN 0.228 nan 8.370 nan 0.000 0.532 485 N N 0.332 119.060 118.700 0.047 0.000 2.299 485 N HA 0.010 4.760 4.740 0.017 0.000 0.187 485 N C 1.508 177.046 175.510 0.047 0.000 1.099 485 N CA -0.286 52.793 53.050 0.049 0.000 0.867 485 N CB 0.290 38.818 38.487 0.068 0.000 0.974 485 N HN 0.008 nan 8.380 nan 0.000 0.477 486 R N 1.518 122.046 120.500 0.047 0.000 2.196 486 R HA -0.122 4.228 4.340 0.017 0.000 0.227 486 R C 2.230 178.551 176.300 0.035 0.000 1.108 486 R CA 1.906 58.031 56.100 0.042 0.000 0.884 486 R CB -1.458 28.864 30.300 0.038 0.000 0.839 486 R HN 0.281 nan 8.270 nan 0.000 0.431 487 G N 0.088 108.907 108.800 0.032 0.000 2.432 487 G HA2 -0.174 3.796 3.960 0.017 0.000 0.219 487 G HA3 -0.174 3.796 3.960 0.017 0.000 0.219 487 G C 1.582 176.502 174.900 0.034 0.000 1.135 487 G CA 1.045 46.163 45.100 0.030 0.000 0.767 487 G HN 0.183 nan 8.290 nan 0.000 0.550 488 V N 0.720 120.654 119.914 0.033 0.000 2.406 488 V HA -0.470 3.661 4.120 0.017 0.000 0.243 488 V C 2.544 178.665 176.094 0.045 0.000 1.103 488 V CA 2.839 65.159 62.300 0.034 0.000 1.094 488 V CB -0.720 31.120 31.823 0.028 0.000 0.922 488 V HN 0.601 nan 8.190 nan 0.000 0.467 489 E N -1.099 119.131 120.200 0.051 0.000 2.265 489 E HA -0.136 4.224 4.350 0.017 0.000 0.196 489 E C 2.233 178.896 176.600 0.106 0.000 0.996 489 E CA 0.833 57.283 56.400 0.084 0.000 0.832 489 E CB -0.279 29.469 29.700 0.080 0.000 0.756 489 E HN 0.705 nan 8.360 nan 0.000 0.491 490 A N 1.876 124.736 122.820 0.067 0.000 1.893 490 A HA -0.254 4.076 4.320 0.017 0.000 0.222 490 A C -0.348 177.268 177.584 0.053 0.000 1.309 490 A CA 2.284 54.351 52.037 0.050 0.000 0.681 490 A CB -1.934 17.087 19.000 0.034 0.000 0.842 490 A HN 0.210 nan 8.150 nan 0.000 0.468 491 P HA -0.226 nan 4.420 nan 0.000 0.214 491 P C 1.601 178.943 177.300 0.069 0.000 1.169 491 P CA 1.710 64.846 63.100 0.059 0.000 0.908 491 P CB -0.310 31.432 31.700 0.070 0.000 0.791 492 Y N 0.812 121.111 120.300 -0.002 0.000 2.081 492 Y HA -0.257 4.303 4.550 0.017 0.000 0.280 492 Y C 2.466 178.364 175.900 -0.003 0.000 1.163 492 Y CA 1.733 59.832 58.100 -0.002 0.000 1.135 492 Y CB -0.712 37.748 38.460 0.000 0.000 0.970 492 Y HN -0.230 nan 8.280 nan 0.000 0.498 493 R N 0.046 120.548 120.500 0.004 0.000 2.094 493 R HA -0.233 4.117 4.340 0.017 0.000 0.239 493 R C 2.279 178.504 176.300 -0.124 0.000 1.137 493 R CA 1.881 57.940 56.100 -0.069 0.000 0.943 493 R CB -0.508 29.806 30.300 0.025 0.000 0.850 493 R HN 0.182 nan 8.270 nan 0.000 0.433 494 K N 1.440 121.795 120.400 -0.074 0.000 2.015 494 K HA -0.241 4.090 4.320 0.017 0.000 0.216 494 K C 1.836 178.365 176.600 -0.118 0.000 1.052 494 K CA 2.185 58.426 56.287 -0.078 0.000 0.937 494 K CB -0.480 31.993 32.500 -0.044 0.000 0.719 494 K HN 0.203 nan 8.250 nan 0.000 0.446 495 E N -0.684 119.432 120.200 -0.140 0.000 2.097 495 E HA -0.258 4.102 4.350 0.017 0.000 0.196 495 E C 1.947 178.435 176.600 -0.186 0.000 1.000 495 E CA 1.458 57.766 56.400 -0.153 0.000 0.804 495 E CB 0.008 29.611 29.700 -0.161 0.000 0.740 495 E HN 0.340 nan 8.360 nan 0.000 0.454 496 Q N 0.038 119.668 119.800 -0.282 0.000 2.079 496 Q HA -0.097 4.254 4.340 0.017 0.000 0.200 496 Q C 2.219 178.134 176.000 -0.141 0.000 0.974 496 Q CA 0.791 56.452 55.803 -0.236 0.000 0.840 496 Q CB -0.305 28.232 28.738 -0.334 0.000 0.898 496 Q HN 0.148 nan 8.270 nan 0.000 0.430 497 R N 0.827 121.248 120.500 -0.132 0.000 2.083 497 R HA -0.128 4.222 4.340 0.017 0.000 0.237 497 R C 2.271 178.497 176.300 -0.124 0.000 1.137 497 R CA 0.841 56.877 56.100 -0.107 0.000 0.951 497 R CB -1.109 29.133 30.300 -0.096 0.000 0.851 497 R HN 0.275 nan 8.270 nan 0.000 0.434 498 L N 1.143 122.282 121.223 -0.140 0.000 1.990 498 L HA -0.190 4.160 4.340 0.017 0.000 0.213 498 L C 2.356 179.122 176.870 -0.174 0.000 1.072 498 L CA 1.957 56.692 54.840 -0.176 0.000 0.755 498 L CB -0.741 41.218 42.059 -0.166 0.000 0.889 498 L HN -0.013 nan 8.230 nan 0.000 0.432 499 R N -0.183 120.260 120.500 -0.096 0.000 2.113 499 R HA -0.229 4.121 4.340 0.017 0.000 0.244 499 R C 2.313 178.582 176.300 -0.052 0.000 1.142 499 R CA 2.203 58.305 56.100 0.003 0.000 0.953 499 R CB -0.344 29.990 30.300 0.057 0.000 0.860 499 R HN 0.586 nan 8.270 nan 0.000 0.438 500 E N -1.072 119.089 120.200 -0.065 0.000 2.047 500 E HA -0.154 4.206 4.350 0.017 0.000 0.191 500 E C 1.893 178.434 176.600 -0.098 0.000 0.987 500 E CA 1.606 57.971 56.400 -0.057 0.000 0.799 500 E CB 0.051 29.721 29.700 -0.050 0.000 0.752 500 E HN 0.119 nan 8.360 nan 0.000 0.449 501 V N 1.371 121.201 119.914 -0.140 0.000 2.282 501 V HA -0.323 3.807 4.120 0.017 0.000 0.249 501 V C 2.322 178.303 176.094 -0.189 0.000 1.057 501 V CA 1.717 63.924 62.300 -0.155 0.000 1.032 501 V CB -0.724 30.981 31.823 -0.197 0.000 0.645 501 V HN 0.267 nan 8.190 nan 0.000 0.447 502 L N 1.182 122.200 121.223 -0.342 0.000 1.956 502 L HA -0.258 4.093 4.340 0.017 0.000 0.216 502 L C 2.839 179.582 176.870 -0.213 0.000 1.073 502 L CA 2.363 56.887 54.840 -0.527 0.000 0.762 502 L CB -1.111 40.234 42.059 -1.190 0.000 0.889 502 L HN 0.566 nan 8.230 nan 0.000 0.433 503 S N -0.167 115.428 115.700 -0.175 0.000 2.392 503 S HA -0.189 4.291 4.470 0.017 0.000 0.232 503 S C 1.980 176.612 174.600 0.053 0.000 1.041 503 S CA 1.248 59.469 58.200 0.034 0.000 1.026 503 S CB -1.313 61.934 63.200 0.078 0.000 0.845 503 S HN 0.523 nan 8.310 nan 0.000 0.465 504 G N 0.667 109.473 108.800 0.011 0.000 2.511 504 G HA2 0.092 4.062 3.960 0.017 0.000 0.217 504 G HA3 0.092 4.062 3.960 0.017 0.000 0.217 504 G C 1.258 176.189 174.900 0.052 0.000 1.133 504 G CA 0.514 45.626 45.100 0.020 0.000 0.792 504 G HN 0.442 nan 8.290 nan 0.000 0.539 505 L N 0.259 121.538 121.223 0.094 0.000 2.270 505 L HA 0.363 4.713 4.340 0.017 0.000 0.210 505 L C 1.836 178.878 176.870 0.286 0.000 1.104 505 L CA 1.684 56.638 54.840 0.190 0.000 0.804 505 L CB 0.073 42.296 42.059 0.273 0.000 0.937 505 L HN 0.345 nan 8.230 nan 0.000 0.450 506 G N -2.754 106.192 108.800 0.243 0.000 2.276 506 G HA2 -0.148 3.823 3.960 0.017 0.000 0.177 506 G HA3 -0.148 3.823 3.960 0.017 0.000 0.177 506 G C -0.179 174.681 174.900 -0.067 0.000 1.017 506 G CA -0.446 44.709 45.100 0.091 0.000 0.750 506 G HN 0.073 nan 8.290 nan 0.000 0.506 507 F N 1.006 120.932 119.950 -0.040 0.000 2.421 507 F HA 0.744 5.282 4.527 0.018 0.000 0.337 507 F C 0.505 176.427 175.800 0.203 0.000 1.105 507 F CA -1.215 56.800 58.000 0.024 0.000 1.049 507 F CB 1.886 40.815 39.000 -0.118 0.000 1.139 507 F HN 0.010 nan 8.300 nan 0.000 0.479 508 Q N 2.616 122.660 119.800 0.406 0.000 2.267 508 Q HA 0.201 4.551 4.340 0.017 0.000 0.255 508 Q C -0.498 175.741 176.000 0.398 0.000 0.923 508 Q CA -0.429 55.566 55.803 0.320 0.000 0.925 508 Q CB 1.084 29.917 28.738 0.159 0.000 1.195 508 Q HN 0.680 nan 8.270 nan 0.000 0.417 509 E N 1.868 122.221 120.200 0.255 0.000 2.349 509 E HA 0.552 4.912 4.350 0.017 0.000 0.265 509 E C -1.226 175.240 176.600 -0.224 0.000 1.064 509 E CA -0.672 55.546 56.400 -0.304 0.000 0.886 509 E CB 0.856 30.447 29.700 -0.182 0.000 1.036 509 E HN 0.377 nan 8.360 nan 0.000 0.413 510 V N 2.810 122.553 119.914 -0.285 0.000 3.049 510 V HA 0.330 4.460 4.120 0.017 0.000 0.309 510 V C -1.433 174.750 176.094 0.149 0.000 1.148 510 V CA -1.021 61.238 62.300 -0.068 0.000 0.990 510 V CB 1.558 33.351 31.823 -0.051 0.000 1.039 510 V HN 0.626 nan 8.190 nan 0.000 0.430 511 Y N 0.733 120.948 120.300 -0.142 0.000 2.328 511 Y HA 0.725 5.285 4.550 0.017 0.000 0.336 511 Y C 0.416 176.256 175.900 -0.100 0.000 0.960 511 Y CA -0.848 57.170 58.100 -0.137 0.000 1.134 511 Y CB 2.216 40.598 38.460 -0.131 0.000 1.166 511 Y HN 0.659 nan 8.280 nan 0.000 0.464 512 T N 3.745 118.286 114.554 -0.022 0.000 2.885 512 T HA 0.396 4.756 4.350 0.017 0.000 0.285 512 T C -0.835 173.847 174.700 -0.031 0.000 1.019 512 T CA -0.572 61.532 62.100 0.007 0.000 1.010 512 T CB 0.576 69.436 68.868 -0.014 0.000 1.022 512 T HN 0.245 nan 8.240 nan 0.000 0.466 513 Y N 1.295 121.565 120.300 -0.050 0.000 2.597 513 Y HA 0.028 4.588 4.550 0.017 0.000 0.336 513 Y C 1.997 177.816 175.900 -0.134 0.000 1.216 513 Y CA 0.436 58.484 58.100 -0.086 0.000 1.463 513 Y CB 0.524 39.003 38.460 0.031 0.000 1.303 513 Y HN 0.616 nan 8.280 nan 0.000 0.576 514 S N 2.173 117.794 115.700 -0.132 0.000 2.607 514 S HA 0.051 4.531 4.470 0.017 0.000 0.224 514 S C 0.001 174.567 174.600 -0.057 0.000 0.969 514 S CA -0.014 58.128 58.200 -0.097 0.000 0.927 514 S CB -0.388 62.749 63.200 -0.105 0.000 0.772 514 S HN 0.317 nan 8.310 nan 0.000 0.533 515 F N 1.472 121.488 119.950 0.110 0.000 2.399 515 F HA 0.563 5.100 4.527 0.017 0.000 0.313 515 F C 0.240 176.040 175.800 0.001 0.000 1.202 515 F CA -1.215 56.808 58.000 0.038 0.000 1.192 515 F CB 0.410 39.423 39.000 0.022 0.000 1.256 515 F HN 0.018 nan 8.300 nan 0.000 0.558 516 M N 1.376 121.107 119.600 0.219 0.000 2.413 516 M HA 0.310 4.801 4.480 0.017 0.000 0.287 516 M C -2.075 174.241 176.300 0.026 0.000 1.186 516 M CA -0.783 54.558 55.300 0.068 0.000 0.927 516 M CB 2.067 34.690 32.600 0.038 0.000 1.715 516 M HN 0.491 nan 8.290 nan 0.000 0.478 517 D N 5.804 126.203 120.400 -0.001 0.000 2.316 517 D HA 0.319 4.969 4.640 0.017 0.000 0.245 517 D C -1.758 174.550 176.300 0.014 0.000 1.171 517 D CA -1.806 52.192 54.000 -0.003 0.000 0.856 517 D CB 1.605 42.408 40.800 0.006 0.000 1.090 517 D HN 0.384 nan 8.370 nan 0.000 0.476 518 P HA -0.199 nan 4.420 nan 0.000 0.217 518 P C 1.050 178.374 177.300 0.040 0.000 1.148 518 P CA 0.833 63.947 63.100 0.023 0.000 0.834 518 P CB 0.549 32.256 31.700 0.011 0.000 0.783 519 E N 0.397 120.620 120.200 0.039 0.000 2.118 519 E HA -0.178 4.183 4.350 0.017 0.000 0.195 519 E C 1.469 178.129 176.600 0.100 0.000 0.992 519 E CA 1.253 57.685 56.400 0.055 0.000 0.804 519 E CB -0.881 28.844 29.700 0.042 0.000 0.741 519 E HN 0.337 nan 8.360 nan 0.000 0.458 520 D N 0.028 120.508 120.400 0.133 0.000 2.351 520 D HA -0.086 4.565 4.640 0.017 0.000 0.216 520 D C 1.574 178.036 176.300 0.269 0.000 0.968 520 D CA 0.944 55.109 54.000 0.275 0.000 0.899 520 D CB -0.042 40.877 40.800 0.198 0.000 0.907 520 D HN 0.178 nan 8.370 nan 0.000 0.514 521 A N 0.138 123.045 122.820 0.145 0.000 2.070 521 A HA -0.162 4.168 4.320 0.017 0.000 0.220 521 A C 2.074 179.753 177.584 0.157 0.000 1.159 521 A CA 1.075 53.195 52.037 0.138 0.000 0.656 521 A CB -0.122 18.936 19.000 0.097 0.000 0.800 521 A HN 0.109 nan 8.150 nan 0.000 0.453 522 R N -1.320 119.264 120.500 0.140 0.000 2.039 522 R HA 0.114 4.465 4.340 0.017 0.000 0.218 522 R C 2.334 178.694 176.300 0.100 0.000 1.220 522 R CA 0.400 56.559 56.100 0.098 0.000 0.993 522 R CB -0.302 30.033 30.300 0.058 0.000 0.881 522 R HN 0.376 nan 8.270 nan 0.000 0.450 523 R N -0.096 120.461 120.500 0.094 0.000 2.196 523 R HA -0.180 4.171 4.340 0.017 0.000 0.259 523 R C 0.000 176.199 176.300 -0.170 0.000 1.154 523 R CA 1.476 57.547 56.100 -0.048 0.000 0.976 523 R CB -0.314 29.971 30.300 -0.024 0.000 0.888 523 R HN 0.028 nan 8.270 nan 0.000 0.453 524 F N 0.204 120.187 119.950 0.054 0.000 2.411 524 F HA 0.313 4.850 4.527 0.017 0.000 0.352 524 F C 0.324 176.207 175.800 0.138 0.000 1.123 524 F CA -1.066 57.005 58.000 0.119 0.000 1.044 524 F CB 1.268 40.358 39.000 0.151 0.000 1.135 524 F HN -0.394 nan 8.300 nan 0.000 0.461 525 R N 4.271 124.936 120.500 0.275 0.000 2.808 525 R HA 0.328 4.678 4.340 0.017 0.000 0.248 525 R C -1.280 175.170 176.300 0.251 0.000 1.539 525 R CA 0.229 56.443 56.100 0.189 0.000 1.071 525 R CB -0.854 29.498 30.300 0.086 0.000 1.172 525 R HN 0.560 nan 8.270 nan 0.000 0.579 526 L N -1.978 119.393 121.223 0.248 0.000 2.469 526 L HA 0.595 4.946 4.340 0.017 0.000 0.256 526 L C -0.546 176.439 176.870 0.192 0.000 1.006 526 L CA -1.592 53.404 54.840 0.259 0.000 0.832 526 L CB 1.456 43.707 42.059 0.320 0.000 1.421 526 L HN -0.012 nan 8.230 nan 0.000 0.410 527 D N 1.372 121.891 120.400 0.198 0.000 2.346 527 D HA 0.258 4.908 4.640 0.017 0.000 0.236 527 D C -2.232 174.150 176.300 0.137 0.000 1.259 527 D CA -0.197 53.892 54.000 0.149 0.000 0.898 527 D CB 0.087 40.977 40.800 0.151 0.000 1.178 527 D HN 0.487 nan 8.370 nan 0.000 0.457 528 P HA 0.259 nan 4.420 nan 0.000 0.281 528 P C -2.592 174.756 177.300 0.079 0.000 1.249 528 P CA -1.333 61.817 63.100 0.083 0.000 0.810 528 P CB -0.090 31.648 31.700 0.063 0.000 1.008 529 P HA 0.190 nan 4.420 nan 0.000 0.271 529 P C 0.672 178.004 177.300 0.053 0.000 1.220 529 P CA -0.044 63.094 63.100 0.063 0.000 0.768 529 P CB 1.031 32.764 31.700 0.054 0.000 0.848 530 R N 2.385 122.919 120.500 0.057 0.000 2.193 530 R HA 0.125 4.475 4.340 0.017 0.000 0.213 530 R C 0.405 176.725 176.300 0.033 0.000 1.055 530 R CA 0.556 56.684 56.100 0.047 0.000 0.995 530 R CB 0.066 30.398 30.300 0.054 0.000 0.893 530 R HN 0.490 nan 8.270 nan 0.000 0.459 531 L N 2.350 123.590 121.223 0.028 0.000 2.341 531 L HA 0.401 4.751 4.340 0.017 0.000 0.278 531 L C -1.030 175.835 176.870 -0.009 0.000 1.005 531 L CA -0.945 53.892 54.840 -0.004 0.000 0.818 531 L CB 1.894 43.926 42.059 -0.046 0.000 1.259 531 L HN -0.009 nan 8.230 nan 0.000 0.418 532 L N 3.293 124.509 121.223 -0.012 0.000 2.333 532 L HA 0.570 4.920 4.340 0.017 0.000 0.263 532 L C -0.165 176.694 176.870 -0.018 0.000 1.014 532 L CA -0.772 54.062 54.840 -0.011 0.000 0.820 532 L CB 1.871 43.926 42.059 -0.007 0.000 1.352 532 L HN 0.362 nan 8.230 nan 0.000 0.421 533 L N 1.259 122.470 121.223 -0.021 0.000 2.399 533 L HA 0.348 4.698 4.340 0.017 0.000 0.266 533 L C 1.178 178.031 176.870 -0.030 0.000 1.114 533 L CA 0.295 55.120 54.840 -0.024 0.000 0.804 533 L CB 0.642 42.676 42.059 -0.041 0.000 1.146 533 L HN 0.446 nan 8.230 nan 0.000 0.451 534 L N 1.312 122.521 121.223 -0.024 0.000 2.556 534 L HA 0.155 4.506 4.340 0.017 0.000 0.226 534 L C -0.028 176.826 176.870 -0.028 0.000 1.089 534 L CA 0.226 55.052 54.840 -0.022 0.000 0.864 534 L CB -0.047 42.004 42.059 -0.014 0.000 1.067 534 L HN 0.783 nan 8.230 nan 0.000 0.477 535 N N -0.950 117.730 118.700 -0.033 0.000 2.703 535 N HA 0.275 5.025 4.740 0.017 0.000 0.283 535 N C -2.750 172.718 175.510 -0.070 0.000 1.851 535 N CA -1.364 51.661 53.050 -0.040 0.000 0.826 535 N CB -0.271 38.202 38.487 -0.023 0.000 1.239 535 N HN -0.120 nan 8.380 nan 0.000 0.495 536 P HA 0.052 nan 4.420 nan 0.000 0.269 536 P C 1.123 178.296 177.300 -0.212 0.000 1.211 536 P CA -0.402 62.582 63.100 -0.194 0.000 0.781 536 P CB 1.367 32.959 31.700 -0.181 0.000 0.877 537 L N 0.068 121.084 121.223 -0.345 0.000 2.179 537 L HA 0.113 4.463 4.340 0.017 0.000 0.208 537 L C 0.823 177.570 176.870 -0.204 0.000 1.096 537 L CA 1.123 55.808 54.840 -0.258 0.000 0.779 537 L CB -0.182 41.679 42.059 -0.329 0.000 0.922 537 L HN 0.491 nan 8.230 nan 0.000 0.443 538 A N -1.989 120.688 122.820 -0.239 0.000 2.594 538 A HA 0.431 4.761 4.320 0.017 0.000 0.296 538 A C -2.207 175.278 177.584 -0.164 0.000 1.056 538 A CA -0.773 51.164 52.037 -0.166 0.000 0.693 538 A CB 0.510 19.419 19.000 -0.152 0.000 1.278 538 A HN -0.189 nan 8.150 nan 0.000 0.408 539 P HA -0.175 nan 4.420 nan 0.000 0.221 539 P C 0.495 177.743 177.300 -0.087 0.000 1.141 539 P CA 1.596 64.642 63.100 -0.089 0.000 0.794 539 P CB 0.227 31.891 31.700 -0.060 0.000 0.764 540 E N -0.052 120.088 120.200 -0.100 0.000 2.489 540 E HA -0.005 4.355 4.350 0.017 0.000 0.193 540 E C 0.741 177.277 176.600 -0.107 0.000 1.057 540 E CA 0.380 56.731 56.400 -0.081 0.000 0.866 540 E CB -0.109 29.549 29.700 -0.070 0.000 0.916 540 E HN 0.449 nan 8.360 nan 0.000 0.500 541 K N -0.734 119.551 120.400 -0.191 0.000 3.350 541 K HA 0.549 4.879 4.320 0.017 0.000 0.181 541 K C 0.106 176.466 176.600 -0.399 0.000 1.064 541 K CA -0.121 55.989 56.287 -0.295 0.000 0.839 541 K CB 1.004 33.183 32.500 -0.535 0.000 0.819 541 K HN 0.010 nan 8.250 nan 0.000 0.523 542 A N 0.241 122.951 122.820 -0.184 0.000 2.252 542 A HA 0.541 4.871 4.320 0.017 0.000 0.213 542 A C 0.814 178.369 177.584 -0.048 0.000 1.188 542 A CA 0.511 52.466 52.037 -0.136 0.000 0.863 542 A CB 0.289 19.232 19.000 -0.095 0.000 0.893 542 A HN 0.547 nan 8.150 nan 0.000 0.495 543 A N -0.688 122.135 122.820 0.005 0.000 0.000 543 A HA 0.800 5.130 4.320 0.017 0.000 0.000 543 A C -0.886 176.767 177.584 0.114 0.000 0.000 543 A CA -0.550 51.514 52.037 0.045 0.000 0.000 543 A CB 0.731 19.752 19.000 0.035 0.000 0.000 543 A HN 0.228 nan 8.150 nan 0.000 0.000 544 L N 1.242 122.511 121.223 0.076 0.000 2.325 544 L HA 0.408 4.758 4.340 0.017 0.000 0.281 544 L C -0.018 176.954 176.870 0.171 0.000 1.004 544 L CA -0.885 54.009 54.840 0.091 0.000 0.823 544 L CB 1.610 43.599 42.059 -0.117 0.000 1.236 544 L HN 0.968 nan 8.230 nan 0.000 0.415 545 R N 0.300 120.901 120.500 0.168 0.000 2.481 545 R HA -0.030 4.320 4.340 0.017 0.000 0.291 545 R C 0.848 177.162 176.300 0.023 0.000 0.934 545 R CA 0.605 56.738 56.100 0.056 0.000 1.116 545 R CB -0.236 30.057 30.300 -0.011 0.000 0.895 545 R HN 0.747 nan 8.270 nan 0.000 0.410 546 T N -1.694 112.827 114.554 -0.055 0.000 3.015 546 T HA 0.085 4.445 4.350 0.017 0.000 0.250 546 T C 0.091 174.537 174.700 -0.423 0.000 1.057 546 T CA 0.098 62.100 62.100 -0.162 0.000 1.066 546 T CB -0.058 68.792 68.868 -0.030 0.000 0.959 546 T HN 0.734 nan 8.240 nan 0.000 0.488 547 H N -0.915 118.015 119.070 -0.234 0.000 2.747 547 H HA 0.629 5.196 4.556 0.017 0.000 0.371 547 H C -0.025 175.081 175.328 -0.370 0.000 1.161 547 H CA -0.947 54.922 56.048 -0.297 0.000 1.167 547 H CB 1.898 31.355 29.762 -0.508 0.000 1.732 547 H HN -0.115 nan 8.280 nan 0.000 0.544 548 L N 1.290 122.439 121.223 -0.124 0.000 2.121 548 L HA -0.017 4.334 4.340 0.017 0.000 0.200 548 L C 2.073 178.825 176.870 -0.196 0.000 1.077 548 L CA 1.121 55.878 54.840 -0.139 0.000 0.766 548 L CB -0.943 41.093 42.059 -0.040 0.000 0.931 548 L HN 0.744 nan 8.230 nan 0.000 0.452 549 F N 0.494 120.410 119.950 -0.057 0.000 2.111 549 F HA -0.182 4.355 4.527 0.018 0.000 0.300 549 F C -0.660 175.064 175.800 -0.128 0.000 1.088 549 F CA 1.144 59.090 58.000 -0.090 0.000 1.243 549 F CB -2.842 36.124 39.000 -0.057 0.000 0.996 549 F HN 0.157 nan 8.300 nan 0.000 0.483 550 P HA -0.108 nan 4.420 nan 0.000 0.215 550 P C 2.125 179.187 177.300 -0.397 0.000 1.157 550 P CA 2.584 65.158 63.100 -0.878 0.000 0.874 550 P CB -0.595 30.297 31.700 -1.346 0.000 0.790 551 G N -0.417 108.193 108.800 -0.317 0.000 2.440 551 G HA2 -0.235 3.735 3.960 0.017 0.000 0.218 551 G HA3 -0.235 3.735 3.960 0.017 0.000 0.218 551 G C 1.561 176.432 174.900 -0.049 0.000 1.154 551 G CA 0.521 45.536 45.100 -0.141 0.000 0.767 551 G HN 0.208 nan 8.290 nan 0.000 0.552 552 L N 0.203 121.408 121.223 -0.030 0.000 1.955 552 L HA -0.149 4.201 4.340 0.017 0.000 0.213 552 L C 3.099 179.999 176.870 0.051 0.000 1.072 552 L CA 1.261 56.112 54.840 0.019 0.000 0.755 552 L CB -0.718 41.364 42.059 0.038 0.000 0.888 552 L HN 0.140 nan 8.230 nan 0.000 0.432 553 V N -0.459 119.519 119.914 0.107 0.000 2.277 553 V HA -0.365 3.765 4.120 0.017 0.000 0.253 553 V C 2.667 178.819 176.094 0.098 0.000 1.067 553 V CA 1.859 64.240 62.300 0.135 0.000 1.047 553 V CB -0.898 31.101 31.823 0.293 0.000 0.649 553 V HN 0.451 nan 8.190 nan 0.000 0.447 554 R N -0.232 120.336 120.500 0.114 0.000 2.103 554 R HA -0.136 4.214 4.340 0.017 0.000 0.242 554 R C 2.266 178.591 176.300 0.042 0.000 1.142 554 R CA 1.601 57.757 56.100 0.092 0.000 0.960 554 R CB -0.762 29.580 30.300 0.071 0.000 0.858 554 R HN 0.524 nan 8.270 nan 0.000 0.439 555 V N 1.691 121.622 119.914 0.030 0.000 2.295 555 V HA -0.250 3.880 4.120 0.017 0.000 0.246 555 V C 2.442 178.536 176.094 0.000 0.000 1.049 555 V CA 1.474 63.787 62.300 0.021 0.000 1.024 555 V CB -0.681 31.156 31.823 0.024 0.000 0.648 555 V HN 0.220 nan 8.190 nan 0.000 0.447 556 L N 0.803 122.017 121.223 -0.016 0.000 1.976 556 L HA -0.256 4.094 4.340 0.017 0.000 0.223 556 L C 2.378 179.185 176.870 -0.105 0.000 1.081 556 L CA 2.466 57.255 54.840 -0.085 0.000 0.784 556 L CB -1.221 40.755 42.059 -0.138 0.000 0.896 556 L HN 0.329 nan 8.230 nan 0.000 0.438 557 K N -0.087 120.265 120.400 -0.079 0.000 1.981 557 K HA -0.311 4.019 4.320 0.017 0.000 0.228 557 K C 1.826 178.403 176.600 -0.038 0.000 1.050 557 K CA 2.727 58.976 56.287 -0.063 0.000 1.001 557 K CB -0.490 31.998 32.500 -0.021 0.000 0.738 557 K HN 0.697 nan 8.250 nan 0.000 0.447 558 E N 0.441 120.634 120.200 -0.011 0.000 2.301 558 E HA -0.222 4.138 4.350 0.017 0.000 0.202 558 E C 1.832 178.433 176.600 0.002 0.000 1.017 558 E CA 1.522 57.922 56.400 0.000 0.000 0.831 558 E CB -0.302 29.405 29.700 0.011 0.000 0.742 558 E HN 0.364 nan 8.360 nan 0.000 0.491 559 N N 0.455 119.152 118.700 -0.005 0.000 2.207 559 N HA -0.034 4.717 4.740 0.017 0.000 0.182 559 N C 1.837 177.353 175.510 0.010 0.000 1.020 559 N CA 0.933 53.988 53.050 0.008 0.000 0.858 559 N CB -0.018 38.477 38.487 0.014 0.000 0.991 559 N HN 0.214 nan 8.380 nan 0.000 0.427 560 L N 1.309 122.524 121.223 -0.014 0.000 2.042 560 L HA -0.197 4.153 4.340 0.017 0.000 0.210 560 L C 1.559 178.437 176.870 0.013 0.000 1.076 560 L CA 1.167 56.007 54.840 -0.001 0.000 0.749 560 L CB -0.441 41.588 42.059 -0.050 0.000 0.893 560 L HN 0.043 nan 8.230 nan 0.000 0.432 561 D N -0.288 120.114 120.400 0.004 0.000 2.224 561 D HA -0.106 4.545 4.640 0.017 0.000 0.205 561 D C 2.303 178.613 176.300 0.016 0.000 0.965 561 D CA 1.003 55.008 54.000 0.010 0.000 0.852 561 D CB 0.083 40.886 40.800 0.004 0.000 0.947 561 D HN 0.325 nan 8.370 nan 0.000 0.494 562 L N 0.023 121.257 121.223 0.018 0.000 2.189 562 L HA 0.048 4.399 4.340 0.017 0.000 0.199 562 L C 0.030 176.916 176.870 0.026 0.000 1.074 562 L CA 0.848 55.700 54.840 0.021 0.000 0.783 562 L CB 0.374 42.446 42.059 0.021 0.000 0.955 562 L HN -0.126 nan 8.230 nan 0.000 0.460 563 D N -0.800 119.620 120.400 0.032 0.000 2.601 563 D HA 0.295 4.945 4.640 0.017 0.000 0.230 563 D C -0.694 175.637 176.300 0.052 0.000 1.106 563 D CA -0.486 53.537 54.000 0.039 0.000 0.873 563 D CB 1.382 42.206 40.800 0.040 0.000 1.515 563 D HN -0.024 nan 8.370 nan 0.000 0.468 564 R N 1.223 121.759 120.500 0.060 0.000 2.937 564 R HA 0.355 4.706 4.340 0.017 0.000 0.264 564 R C -2.236 174.126 176.300 0.105 0.000 1.334 564 R CA -1.349 54.800 56.100 0.082 0.000 1.516 564 R CB 0.213 30.557 30.300 0.073 0.000 1.187 564 R HN 0.092 nan 8.270 nan 0.000 0.609 565 P HA 0.005 nan 4.420 nan 0.000 0.276 565 P C 0.381 177.792 177.300 0.185 0.000 1.243 565 P CA -0.241 62.947 63.100 0.147 0.000 0.768 565 P CB 1.048 32.849 31.700 0.168 0.000 0.856 566 E N 3.495 123.736 120.200 0.068 0.000 2.077 566 E HA -0.159 4.202 4.350 0.017 0.000 0.193 566 E C 0.588 177.037 176.600 -0.253 0.000 0.989 566 E CA 0.841 57.221 56.400 -0.033 0.000 0.800 566 E CB 0.279 29.953 29.700 -0.043 0.000 0.746 566 E HN 0.439 nan 8.360 nan 0.000 0.452 567 R N -0.809 119.579 120.500 -0.186 0.000 2.869 567 R HA 0.757 5.108 4.340 0.017 0.000 0.263 567 R C -1.595 174.691 176.300 -0.024 0.000 1.066 567 R CA -0.459 55.442 56.100 -0.333 0.000 0.960 567 R CB 1.682 31.844 30.300 -0.230 0.000 1.221 567 R HN -0.005 nan 8.270 nan 0.000 0.474 568 A N 0.868 123.719 122.820 0.052 0.000 2.555 568 A HA 0.544 4.874 4.320 0.017 0.000 0.297 568 A C -2.092 175.541 177.584 0.082 0.000 1.060 568 A CA -0.690 51.445 52.037 0.163 0.000 0.710 568 A CB 1.883 21.102 19.000 0.363 0.000 1.282 568 A HN 0.598 nan 8.150 nan 0.000 0.399 569 L N 4.063 125.280 121.223 -0.009 0.000 2.482 569 L HA 0.855 5.206 4.340 0.017 0.000 0.269 569 L C -1.016 175.847 176.870 -0.011 0.000 0.967 569 L CA -0.274 54.491 54.840 -0.125 0.000 0.851 569 L CB 1.390 43.181 42.059 -0.446 0.000 1.242 569 L HN 0.983 nan 8.230 nan 0.000 0.404 570 L N 1.385 122.714 121.223 0.176 0.000 2.654 570 L HA 0.791 5.141 4.340 0.017 0.000 0.257 570 L C -1.427 175.792 176.870 0.582 0.000 1.093 570 L CA -0.798 54.276 54.840 0.389 0.000 0.903 570 L CB 2.066 44.255 42.059 0.217 0.000 1.520 570 L HN 0.658 nan 8.230 nan 0.000 0.402 571 F N -0.791 119.282 119.950 0.206 0.000 2.745 571 F HA 0.892 5.429 4.527 0.017 0.000 0.316 571 F C -1.197 174.629 175.800 0.044 0.000 1.155 571 F CA -0.843 57.208 58.000 0.085 0.000 0.937 571 F CB 1.607 40.623 39.000 0.026 0.000 1.361 571 F HN 0.849 nan 8.300 nan 0.000 0.472 572 E N 0.964 120.977 120.200 -0.312 0.000 2.381 572 E HA 0.606 4.966 4.350 0.017 0.000 0.286 572 E C -2.513 173.981 176.600 -0.176 0.000 0.960 572 E CA -0.818 55.345 56.400 -0.395 0.000 0.793 572 E CB 2.396 31.965 29.700 -0.218 0.000 1.225 572 E HN 0.712 nan 8.360 nan 0.000 0.420 573 V N 2.981 122.789 119.914 -0.176 0.000 2.417 573 V HA 0.925 5.055 4.120 0.017 0.000 0.291 573 V C 0.388 176.380 176.094 -0.169 0.000 1.024 573 V CA 0.277 62.524 62.300 -0.088 0.000 0.861 573 V CB 1.255 33.069 31.823 -0.016 0.000 0.985 573 V HN 0.794 nan 8.190 nan 0.000 0.436 574 G N 3.635 112.347 108.800 -0.147 0.000 2.649 574 G HA2 0.621 4.591 3.960 0.017 0.000 0.290 574 G HA3 0.621 4.591 3.960 0.017 0.000 0.290 574 G C -1.584 173.188 174.900 -0.213 0.000 1.426 574 G CA -1.035 43.944 45.100 -0.203 0.000 0.794 574 G HN 0.525 nan 8.290 nan 0.000 0.483 575 R N -0.263 120.067 120.500 -0.283 0.000 2.254 575 R HA 0.561 4.911 4.340 0.017 0.000 0.318 575 R C 0.310 176.122 176.300 -0.813 0.000 1.031 575 R CA -0.344 55.478 56.100 -0.463 0.000 0.905 575 R CB 1.299 31.365 30.300 -0.390 0.000 1.050 575 R HN 0.618 nan 8.270 nan 0.000 0.456 576 V N 1.012 120.389 119.914 -0.894 0.000 2.850 576 V HA 0.698 4.828 4.120 0.017 0.000 0.315 576 V C -0.886 174.526 176.094 -1.137 0.000 1.064 576 V CA -0.924 60.821 62.300 -0.926 0.000 0.979 576 V CB 1.643 33.001 31.823 -0.775 0.000 1.039 576 V HN 0.520 nan 8.190 nan 0.000 0.452 577 F N 2.370 122.209 119.950 -0.186 0.000 2.460 577 F HA 0.805 5.342 4.527 0.017 0.000 0.341 577 F C 0.604 176.343 175.800 -0.101 0.000 1.130 577 F CA -0.710 57.218 58.000 -0.121 0.000 0.962 577 F CB 1.724 40.676 39.000 -0.080 0.000 1.171 577 F HN 0.570 nan 8.300 nan 0.000 0.436 578 R N 1.775 122.292 120.500 0.029 0.000 2.624 578 R HA 0.307 4.657 4.340 0.017 0.000 0.104 578 R C 1.156 177.487 176.300 0.053 0.000 1.178 578 R CA -0.565 55.550 56.100 0.026 0.000 0.986 578 R CB 0.304 30.594 30.300 -0.017 0.000 0.855 578 R HN 0.492 nan 8.270 nan 0.000 0.386 579 E N 1.591 121.816 120.200 0.043 0.000 2.152 579 E HA 0.012 4.372 4.350 0.017 0.000 0.192 579 E C 0.418 177.047 176.600 0.048 0.000 0.983 579 E CA 0.862 57.290 56.400 0.047 0.000 0.818 579 E CB 0.291 30.018 29.700 0.044 0.000 0.758 579 E HN 0.176 nan 8.360 nan 0.000 0.467 580 R N 0.733 121.257 120.500 0.040 0.000 2.837 580 R HA 0.288 4.638 4.340 0.017 0.000 0.271 580 R C -0.774 175.537 176.300 0.019 0.000 0.993 580 R CA -0.690 55.433 56.100 0.039 0.000 0.931 580 R CB 2.077 32.395 30.300 0.029 0.000 1.206 580 R HN -0.025 nan 8.270 nan 0.000 0.474 581 E N 1.470 121.691 120.200 0.035 0.000 2.384 581 E HA -0.007 4.353 4.350 0.017 0.000 0.266 581 E C -0.896 175.633 176.600 -0.120 0.000 1.012 581 E CA 0.548 56.925 56.400 -0.039 0.000 0.901 581 E CB 0.764 30.496 29.700 0.054 0.000 0.967 581 E HN 0.326 nan 8.360 nan 0.000 0.435 582 E N 1.673 121.719 120.200 -0.256 0.000 2.331 582 E HA 0.235 4.595 4.350 0.017 0.000 0.275 582 E C -1.507 174.995 176.600 -0.163 0.000 0.895 582 E CA -0.699 55.612 56.400 -0.149 0.000 0.753 582 E CB 2.112 31.760 29.700 -0.087 0.000 1.216 582 E HN 0.345 nan 8.360 nan 0.000 0.434 583 T N 2.524 117.058 114.554 -0.033 0.000 2.728 583 T HA 0.269 4.629 4.350 0.017 0.000 0.296 583 T C -0.660 174.105 174.700 0.109 0.000 0.940 583 T CA -0.189 61.898 62.100 -0.021 0.000 1.013 583 T CB 0.078 68.933 68.868 -0.023 0.000 0.912 583 T HN 0.271 nan 8.240 nan 0.000 0.484 584 H N 1.852 120.845 119.070 -0.128 0.000 2.616 584 H HA 0.647 5.213 4.556 0.017 0.000 0.353 584 H C -0.909 174.374 175.328 -0.076 0.000 1.170 584 H CA -1.067 54.924 56.048 -0.095 0.000 1.212 584 H CB 2.120 31.812 29.762 -0.118 0.000 1.653 584 H HN 0.292 nan 8.280 nan 0.000 0.537 585 L N 1.926 123.145 121.223 -0.007 0.000 2.439 585 L HA 0.644 4.994 4.340 0.017 0.000 0.270 585 L C -1.452 175.374 176.870 -0.072 0.000 0.972 585 L CA -0.316 54.526 54.840 0.003 0.000 0.836 585 L CB 1.244 43.330 42.059 0.045 0.000 1.255 585 L HN 0.685 nan 8.230 nan 0.000 0.404 586 A N 2.918 125.641 122.820 -0.162 0.000 2.454 586 A HA 1.003 5.333 4.320 0.017 0.000 0.302 586 A C -0.487 176.726 177.584 -0.619 0.000 1.079 586 A CA -0.098 51.635 52.037 -0.505 0.000 0.731 586 A CB 1.741 20.588 19.000 -0.255 0.000 1.299 586 A HN 1.093 nan 8.150 nan 0.000 0.413 587 G N -0.246 107.726 108.800 -1.380 0.000 2.667 587 G HA2 0.611 4.581 3.960 0.017 0.000 0.298 587 G HA3 0.611 4.581 3.960 0.017 0.000 0.298 587 G C -1.543 173.215 174.900 -0.236 0.000 1.377 587 G CA -0.429 44.353 45.100 -0.529 0.000 0.964 587 G HN 1.242 nan 8.290 nan 0.000 0.493 588 L N 1.922 123.200 121.223 0.092 0.000 2.386 588 L HA 0.912 5.262 4.340 0.017 0.000 0.271 588 L C -1.570 175.410 176.870 0.183 0.000 0.993 588 L CA -1.103 53.818 54.840 0.136 0.000 0.819 588 L CB 2.085 44.206 42.059 0.103 0.000 1.294 588 L HN 0.564 nan 8.230 nan 0.000 0.414 589 L N 4.737 126.089 121.223 0.215 0.000 2.354 589 L HA 0.829 5.179 4.340 0.017 0.000 0.264 589 L C -1.448 175.611 176.870 0.315 0.000 1.008 589 L CA -0.326 54.624 54.840 0.184 0.000 0.819 589 L CB 1.901 44.026 42.059 0.110 0.000 1.339 589 L HN 0.685 nan 8.230 nan 0.000 0.420 590 F N 3.230 123.226 119.950 0.076 0.000 2.744 590 F HA 0.811 5.349 4.527 0.019 0.000 0.311 590 F C -0.329 175.506 175.800 0.059 0.000 1.144 590 F CA 0.379 58.431 58.000 0.087 0.000 0.938 590 F CB 0.983 40.022 39.000 0.064 0.000 1.292 590 F HN 1.108 nan 8.300 nan 0.000 0.444 591 G N 3.191 111.317 108.800 -1.124 0.000 2.434 591 G HA2 0.041 4.011 3.960 0.017 0.000 0.671 591 G HA3 0.041 4.011 3.960 0.017 0.000 0.671 591 G C -0.388 174.283 174.900 -0.381 0.000 1.280 591 G CA -0.127 44.361 45.100 -1.020 0.000 0.975 591 G HN 0.793 nan 8.290 nan 0.000 0.510 592 E N 0.262 120.299 120.200 -0.272 0.000 2.110 592 E HA 0.331 4.691 4.350 0.017 0.000 0.193 592 E C 1.739 178.286 176.600 -0.088 0.000 0.988 592 E CA 2.417 58.739 56.400 -0.131 0.000 0.804 592 E CB -0.581 29.057 29.700 -0.103 0.000 0.745 592 E HN 2.193 nan 8.360 nan 0.000 0.458 593 G N -0.657 108.081 108.800 -0.103 0.000 2.409 593 G HA2 -0.069 3.901 3.960 0.017 0.000 0.421 593 G HA3 -0.069 3.901 3.960 0.017 0.000 0.421 593 G C -0.329 174.539 174.900 -0.054 0.000 1.259 593 G CA -0.425 44.639 45.100 -0.059 0.000 1.011 593 G HN 0.494 nan 8.290 nan 0.000 0.497 594 V N -1.518 118.379 119.914 -0.028 0.000 2.966 594 V HA 1.068 5.199 4.120 0.017 0.000 0.317 594 V C 1.023 177.081 176.094 -0.059 0.000 1.070 594 V CA 0.754 63.034 62.300 -0.034 0.000 1.008 594 V CB 1.023 32.848 31.823 0.003 0.000 1.070 594 V HN 2.997 nan 8.190 nan 0.000 0.457 595 G N 0.806 109.552 108.800 -0.089 0.000 2.339 595 G HA2 0.165 4.136 3.960 0.017 0.000 0.275 595 G HA3 0.165 4.136 3.960 0.017 0.000 0.275 595 G C -1.402 173.367 174.900 -0.218 0.000 1.323 595 G CA -0.746 44.273 45.100 -0.135 0.000 0.927 595 G HN 0.952 nan 8.290 nan 0.000 0.486 596 L N 2.567 123.581 121.223 -0.349 0.000 2.331 596 L HA 0.302 4.652 4.340 0.017 0.000 0.278 596 L C -0.714 175.823 176.870 -0.555 0.000 1.106 596 L CA -1.634 52.822 54.840 -0.639 0.000 0.824 596 L CB 1.640 43.033 42.059 -1.109 0.000 1.142 596 L HN 0.456 nan 8.230 nan 0.000 0.443 597 P HA -0.176 nan 4.420 nan 0.000 0.214 597 P C 1.367 178.596 177.300 -0.117 0.000 1.162 597 P CA 1.621 64.603 63.100 -0.198 0.000 0.879 597 P CB -0.105 31.573 31.700 -0.036 0.000 0.786 598 W N 1.158 122.461 121.300 0.005 0.000 2.408 598 W HA 0.262 4.930 4.660 0.012 0.000 0.311 598 W C 0.968 177.491 176.519 0.007 0.000 1.190 598 W CA 0.105 57.454 57.345 0.006 0.000 1.321 598 W CB -1.994 27.469 29.460 0.006 0.000 1.143 598 W HN -0.123 nan 8.180 nan 0.000 0.501 599 A N 3.876 126.590 122.820 -0.177 0.000 2.531 599 A HA -0.007 4.324 4.320 0.017 0.000 0.236 599 A C 1.707 179.226 177.584 -0.108 0.000 1.062 599 A CA 0.624 52.591 52.037 -0.117 0.000 0.760 599 A CB 0.396 19.088 19.000 -0.513 0.000 0.995 599 A HN 0.302 nan 8.150 nan 0.000 0.501 600 K N 2.792 123.186 120.400 -0.011 0.000 1.981 600 K HA -0.234 4.097 4.320 0.017 0.000 0.228 600 K C 0.380 176.954 176.600 -0.045 0.000 1.050 600 K CA 2.152 58.433 56.287 -0.010 0.000 1.001 600 K CB -1.510 30.998 32.500 0.014 0.000 0.738 600 K HN 0.848 nan 8.250 nan 0.000 0.447 601 E N 1.683 121.853 120.200 -0.051 0.000 2.422 601 E HA 0.213 4.574 4.350 0.017 0.000 0.260 601 E C -0.096 176.458 176.600 -0.076 0.000 1.108 601 E CA -0.330 56.039 56.400 -0.051 0.000 0.943 601 E CB 0.387 30.065 29.700 -0.037 0.000 0.961 601 E HN 0.116 nan 8.360 nan 0.000 0.443 602 R N -0.063 120.408 120.500 -0.049 0.000 2.869 602 R HA 0.596 4.946 4.340 0.017 0.000 0.263 602 R C -1.547 174.739 176.300 -0.023 0.000 1.066 602 R CA -1.054 55.016 56.100 -0.049 0.000 0.960 602 R CB 1.378 31.653 30.300 -0.042 0.000 1.221 602 R HN 0.593 nan 8.270 nan 0.000 0.474 603 L N -1.256 119.958 121.223 -0.014 0.000 2.482 603 L HA 0.867 5.217 4.340 0.017 0.000 0.269 603 L C -0.542 176.342 176.870 0.022 0.000 0.967 603 L CA -0.116 54.730 54.840 0.011 0.000 0.851 603 L CB 1.863 43.926 42.059 0.005 0.000 1.242 603 L HN 0.708 nan 8.230 nan 0.000 0.404 604 S N 1.891 117.614 115.700 0.039 0.000 3.576 604 S HA 1.009 5.489 4.470 0.017 0.000 0.321 604 S C 0.466 175.090 174.600 0.040 0.000 1.174 604 S CA -0.138 58.083 58.200 0.034 0.000 1.102 604 S CB 0.324 63.534 63.200 0.017 0.000 1.467 604 S HN 2.487 nan 8.310 nan 0.000 0.701 605 G N 0.576 109.387 108.800 0.019 0.000 2.752 605 G HA2 -0.248 3.722 3.960 0.017 0.000 0.234 605 G HA3 -0.248 3.722 3.960 0.017 0.000 0.234 605 G C 0.153 174.792 174.900 -0.436 0.000 1.367 605 G CA 0.670 45.721 45.100 -0.081 0.000 0.879 605 G HN 1.801 nan 8.290 nan 0.000 0.563 606 Y N -0.029 119.734 120.300 -0.895 0.000 2.069 606 Y HA -0.133 4.426 4.550 0.016 0.000 0.278 606 Y C 2.600 178.274 175.900 -0.377 0.000 1.175 606 Y CA 3.059 60.725 58.100 -0.724 0.000 1.134 606 Y CB -0.435 37.747 38.460 -0.463 0.000 0.965 606 Y HN 0.429 nan 8.280 nan 0.000 0.498 607 F N -0.492 119.491 119.950 0.055 0.000 2.583 607 F HA -0.105 4.433 4.527 0.018 0.000 0.297 607 F C 1.912 177.665 175.800 -0.079 0.000 1.131 607 F CA 0.875 58.866 58.000 -0.014 0.000 1.467 607 F CB -0.528 38.553 39.000 0.135 0.000 1.097 607 F HN 0.261 nan 8.300 nan 0.000 0.586 608 L N -0.575 120.668 121.223 0.032 0.000 2.071 608 L HA -0.012 4.338 4.340 0.017 0.000 0.201 608 L C 2.178 179.088 176.870 0.067 0.000 1.076 608 L CA 1.431 56.315 54.840 0.073 0.000 0.755 608 L CB -1.049 41.041 42.059 0.051 0.000 0.915 608 L HN 0.101 nan 8.230 nan 0.000 0.445 609 L N 0.043 121.217 121.223 -0.081 0.000 2.013 609 L HA -0.297 4.053 4.340 0.017 0.000 0.212 609 L C 2.718 179.542 176.870 -0.077 0.000 1.073 609 L CA 2.143 56.946 54.840 -0.062 0.000 0.753 609 L CB -0.460 41.545 42.059 -0.090 0.000 0.890 609 L HN 0.387 nan 8.230 nan 0.000 0.432 610 K N -0.847 119.399 120.400 -0.256 0.000 2.063 610 K HA -0.176 4.154 4.320 0.017 0.000 0.208 610 K C 1.976 178.607 176.600 0.050 0.000 1.048 610 K CA 1.374 57.575 56.287 -0.144 0.000 0.928 610 K CB -0.530 31.807 32.500 -0.271 0.000 0.713 610 K HN 0.514 nan 8.250 nan 0.000 0.442 611 G N 0.314 109.160 108.800 0.076 0.000 2.529 611 G HA2 -0.303 3.667 3.960 0.017 0.000 0.219 611 G HA3 -0.303 3.667 3.960 0.017 0.000 0.219 611 G C 1.283 176.211 174.900 0.047 0.000 1.177 611 G CA 1.326 46.468 45.100 0.071 0.000 0.773 611 G HN 0.338 nan 8.290 nan 0.000 0.573 612 Y N -0.152 120.138 120.300 -0.018 0.000 2.070 612 Y HA -0.095 4.465 4.550 0.016 0.000 0.280 612 Y C 2.893 178.768 175.900 -0.040 0.000 1.148 612 Y CA 0.927 59.030 58.100 0.005 0.000 1.125 612 Y CB -0.461 38.032 38.460 0.055 0.000 0.975 612 Y HN 0.034 nan 8.280 nan 0.000 0.492 613 L N 0.616 121.867 121.223 0.046 0.000 2.034 613 L HA -0.297 4.053 4.340 0.017 0.000 0.217 613 L C 2.170 178.897 176.870 -0.238 0.000 1.077 613 L CA 1.945 56.642 54.840 -0.238 0.000 0.769 613 L CB -1.360 40.444 42.059 -0.425 0.000 0.890 613 L HN 0.401 nan 8.230 nan 0.000 0.435 614 E N -0.957 119.215 120.200 -0.047 0.000 2.077 614 E HA -0.202 4.159 4.350 0.017 0.000 0.193 614 E C 2.166 178.818 176.600 0.087 0.000 0.989 614 E CA 1.194 57.681 56.400 0.145 0.000 0.800 614 E CB -0.225 29.642 29.700 0.279 0.000 0.746 614 E HN 0.527 nan 8.360 nan 0.000 0.452 615 A N 1.737 124.565 122.820 0.014 0.000 1.933 615 A HA -0.172 4.159 4.320 0.017 0.000 0.218 615 A C 2.241 179.786 177.584 -0.066 0.000 1.175 615 A CA 1.203 53.221 52.037 -0.031 0.000 0.628 615 A CB -0.582 18.366 19.000 -0.087 0.000 0.814 615 A HN 0.247 nan 8.150 nan 0.000 0.444 616 L N -1.238 119.915 121.223 -0.117 0.000 1.989 616 L HA -0.117 4.233 4.340 0.017 0.000 0.211 616 L C 2.160 178.794 176.870 -0.393 0.000 1.071 616 L CA 2.231 56.893 54.840 -0.296 0.000 0.749 616 L CB -0.899 40.875 42.059 -0.475 0.000 0.890 616 L HN 0.312 nan 8.230 nan 0.000 0.431 617 F N 0.236 120.039 119.950 -0.245 0.000 2.216 617 F HA -0.079 4.457 4.527 0.017 0.000 0.300 617 F C 2.540 178.287 175.800 -0.088 0.000 1.085 617 F CA 1.158 59.055 58.000 -0.172 0.000 1.326 617 F CB -1.183 37.708 39.000 -0.181 0.000 1.027 617 F HN 0.242 nan 8.300 nan 0.000 0.497 618 A N 0.015 122.876 122.820 0.070 0.000 1.940 618 A HA -0.241 4.089 4.320 0.017 0.000 0.219 618 A C 2.201 179.774 177.584 -0.018 0.000 1.176 618 A CA 1.929 53.986 52.037 0.034 0.000 0.631 618 A CB -0.604 18.405 19.000 0.016 0.000 0.814 618 A HN 0.257 nan 8.150 nan 0.000 0.446 619 R N -0.095 120.362 120.500 -0.070 0.000 2.115 619 R HA 0.124 4.474 4.340 0.017 0.000 0.226 619 R C 1.531 177.768 176.300 -0.105 0.000 1.100 619 R CA 1.181 57.227 56.100 -0.091 0.000 0.980 619 R CB -0.604 29.623 30.300 -0.122 0.000 0.875 619 R HN 0.509 nan 8.270 nan 0.000 0.445 620 L N -0.875 120.262 121.223 -0.143 0.000 2.558 620 L HA 0.308 4.658 4.340 0.017 0.000 0.225 620 L C 0.931 177.771 176.870 -0.050 0.000 1.128 620 L CA 0.397 55.156 54.840 -0.135 0.000 0.868 620 L CB -0.091 41.825 42.059 -0.238 0.000 1.006 620 L HN 0.463 nan 8.230 nan 0.000 0.454 621 G N 1.323 110.116 108.800 -0.011 0.000 2.225 621 G HA2 -0.266 3.704 3.960 0.017 0.000 0.264 621 G HA3 -0.266 3.704 3.960 0.017 0.000 0.264 621 G C -0.185 174.752 174.900 0.062 0.000 1.060 621 G CA 0.003 45.117 45.100 0.025 0.000 0.833 621 G HN 0.252 nan 8.290 nan 0.000 0.498 622 L N -0.352 120.945 121.223 0.123 0.000 2.365 622 L HA 0.783 5.133 4.340 0.017 0.000 0.273 622 L C 0.666 177.669 176.870 0.222 0.000 1.000 622 L CA -0.868 54.087 54.840 0.192 0.000 0.819 622 L CB 2.193 44.433 42.059 0.302 0.000 1.284 622 L HN 0.276 nan 8.230 nan 0.000 0.418 623 A N 3.185 126.084 122.820 0.130 0.000 2.350 623 A HA 0.512 4.842 4.320 0.017 0.000 0.293 623 A C -0.858 176.752 177.584 0.042 0.000 1.231 623 A CA -0.044 52.040 52.037 0.078 0.000 0.883 623 A CB -0.243 18.775 19.000 0.030 0.000 1.133 623 A HN 0.534 nan 8.150 nan 0.000 0.533 624 F N 3.882 123.689 119.950 -0.238 0.000 2.546 624 F HA 0.867 5.403 4.527 0.016 0.000 0.320 624 F C -0.170 175.458 175.800 -0.287 0.000 1.076 624 F CA -1.005 56.733 58.000 -0.436 0.000 0.928 624 F CB 1.649 39.988 39.000 -1.102 0.000 1.189 624 F HN 0.766 nan 8.300 nan 0.000 0.465 625 R N 3.427 123.312 120.500 -1.025 0.000 2.716 625 R HA 0.770 5.121 4.340 0.017 0.000 0.271 625 R C -2.081 173.772 176.300 -0.746 0.000 1.028 625 R CA -1.008 54.540 56.100 -0.920 0.000 0.883 625 R CB 1.616 31.663 30.300 -0.421 0.000 1.250 625 R HN 0.946 nan 8.270 nan 0.000 0.465 626 V N -1.704 117.914 119.914 -0.493 0.000 2.769 626 V HA 0.694 4.825 4.120 0.017 0.000 0.312 626 V C -0.972 175.075 176.094 -0.079 0.000 1.061 626 V CA -0.634 61.539 62.300 -0.211 0.000 0.931 626 V CB 2.021 33.789 31.823 -0.092 0.000 1.010 626 V HN 0.932 nan 8.190 nan 0.000 0.433 627 E N 3.082 123.282 120.200 0.001 0.000 2.246 627 E HA 0.665 5.025 4.350 0.017 0.000 0.266 627 E C -0.319 176.318 176.600 0.060 0.000 0.880 627 E CA -0.886 55.527 56.400 0.023 0.000 0.762 627 E CB 2.186 31.895 29.700 0.014 0.000 1.180 627 E HN 1.240 nan 8.360 nan 0.000 0.416 628 A N 3.093 125.939 122.820 0.043 0.000 2.584 628 A HA 0.047 4.378 4.320 0.017 0.000 0.239 628 A C 0.012 177.609 177.584 0.021 0.000 1.043 628 A CA 0.778 52.838 52.037 0.038 0.000 0.756 628 A CB 0.237 19.241 19.000 0.006 0.000 0.963 628 A HN 0.547 nan 8.150 nan 0.000 0.511 629 Q N 1.050 120.864 119.800 0.023 0.000 2.309 629 Q HA 0.572 4.923 4.340 0.017 0.000 0.273 629 Q C -0.712 175.126 176.000 -0.270 0.000 1.040 629 Q CA 0.114 55.834 55.803 -0.137 0.000 0.834 629 Q CB 1.894 30.548 28.738 -0.141 0.000 1.345 629 Q HN 1.315 nan 8.270 nan 0.000 0.414 630 A N 3.538 126.135 122.820 -0.372 0.000 2.396 630 A HA 0.575 4.905 4.320 0.017 0.000 0.279 630 A C -1.241 175.990 177.584 -0.588 0.000 1.165 630 A CA 0.235 52.074 52.037 -0.330 0.000 0.824 630 A CB -0.318 18.545 19.000 -0.229 0.000 1.100 630 A HN 0.505 nan 8.150 nan 0.000 0.516 631 F N 4.063 123.921 119.950 -0.153 0.000 2.499 631 F HA 0.408 4.945 4.527 0.016 0.000 0.333 631 F C -1.680 173.832 175.800 -0.479 0.000 1.138 631 F CA -1.879 55.891 58.000 -0.383 0.000 0.945 631 F CB 2.117 40.928 39.000 -0.314 0.000 1.181 631 F HN 0.410 nan 8.300 nan 0.000 0.435 632 P HA -0.263 nan 4.420 nan 0.000 0.219 632 P C 1.114 178.345 177.300 -0.115 0.000 1.151 632 P CA 1.865 64.799 63.100 -0.277 0.000 0.850 632 P CB -0.131 31.383 31.700 -0.310 0.000 0.784 633 F N -4.276 115.722 119.950 0.079 0.000 2.749 633 F HA 0.359 4.896 4.527 0.017 0.000 0.300 633 F C 0.562 176.381 175.800 0.031 0.000 1.103 633 F CA -1.064 56.958 58.000 0.036 0.000 1.342 633 F CB -1.045 37.934 39.000 -0.036 0.000 1.098 633 F HN -0.269 nan 8.300 nan 0.000 0.586 634 L N 1.665 123.111 121.223 0.373 0.000 2.317 634 L HA 0.316 4.666 4.340 0.017 0.000 0.281 634 L C 0.043 177.049 176.870 0.227 0.000 1.024 634 L CA -1.252 53.764 54.840 0.293 0.000 0.810 634 L CB 0.347 42.579 42.059 0.288 0.000 1.240 634 L HN 0.133 nan 8.230 nan 0.000 0.427 635 H N 5.152 124.259 119.070 0.061 0.000 3.034 635 H HA 0.125 4.691 4.556 0.017 0.000 0.324 635 H C -2.411 172.868 175.328 -0.082 0.000 1.015 635 H CA -1.656 54.320 56.048 -0.121 0.000 1.429 635 H CB 0.541 30.272 29.762 -0.052 0.000 1.429 635 H HN 0.332 nan 8.280 nan 0.000 0.585 636 P HA 0.155 nan 4.420 nan 0.000 0.275 636 P C 0.965 178.352 177.300 0.145 0.000 1.266 636 P CA 0.913 64.103 63.100 0.149 0.000 0.793 636 P CB 0.430 32.146 31.700 0.026 0.000 1.074 637 G N -0.665 108.142 108.800 0.011 0.000 2.507 637 G HA2 -0.291 3.679 3.960 0.017 0.000 0.240 637 G HA3 -0.291 3.679 3.960 0.017 0.000 0.240 637 G C 0.426 175.213 174.900 -0.189 0.000 1.119 637 G CA 0.592 45.654 45.100 -0.063 0.000 0.664 637 G HN 0.503 nan 8.290 nan 0.000 0.516 638 V N 0.399 120.148 119.914 -0.275 0.000 3.043 638 V HA 0.629 4.759 4.120 0.017 0.000 0.357 638 V C 0.746 176.780 176.094 -0.100 0.000 1.372 638 V CA 0.537 62.635 62.300 -0.338 0.000 1.214 638 V CB 0.743 32.297 31.823 -0.449 0.000 1.224 638 V HN 0.437 nan 8.190 nan 0.000 0.507 639 S N 0.575 116.275 115.700 0.001 0.000 2.578 639 S HA 0.910 5.391 4.470 0.017 0.000 0.301 639 S C 0.075 174.798 174.600 0.204 0.000 1.091 639 S CA 0.099 58.407 58.200 0.179 0.000 1.032 639 S CB 1.806 65.120 63.200 0.190 0.000 1.064 639 S HN 0.774 nan 8.310 nan 0.000 0.508 640 G N 2.218 111.255 108.800 0.394 0.000 2.633 640 G HA2 0.416 4.386 3.960 0.017 0.000 0.299 640 G HA3 0.416 4.386 3.960 0.017 0.000 0.299 640 G C -1.324 173.895 174.900 0.532 0.000 1.501 640 G CA -0.989 44.324 45.100 0.355 0.000 0.887 640 G HN 0.821 nan 8.290 nan 0.000 0.561 641 R N 0.182 120.965 120.500 0.471 0.000 2.528 641 R HA 0.745 5.096 4.340 0.017 0.000 0.271 641 R C -0.961 175.500 176.300 0.268 0.000 1.056 641 R CA -0.589 55.811 56.100 0.500 0.000 1.117 641 R CB 1.445 31.978 30.300 0.389 0.000 1.085 641 R HN 0.249 nan 8.270 nan 0.000 0.530 642 V N 2.915 122.964 119.914 0.224 0.000 2.459 642 V HA 0.310 4.440 4.120 0.017 0.000 0.295 642 V C -0.388 175.748 176.094 0.069 0.000 1.029 642 V CA -0.992 61.382 62.300 0.123 0.000 0.874 642 V CB 1.598 33.505 31.823 0.141 0.000 0.985 642 V HN 0.558 nan 8.190 nan 0.000 0.438 643 L N 5.444 126.654 121.223 -0.021 0.000 2.356 643 L HA 0.432 4.782 4.340 0.017 0.000 0.264 643 L C 0.218 177.052 176.870 -0.060 0.000 1.029 643 L CA 0.044 54.861 54.840 -0.038 0.000 0.897 643 L CB 0.949 42.964 42.059 -0.074 0.000 1.256 643 L HN 0.517 nan 8.230 nan 0.000 0.444 644 V N 3.103 123.009 119.914 -0.014 0.000 3.766 644 V HA 0.018 4.149 4.120 0.017 0.000 0.286 644 V C 1.109 177.204 176.094 0.001 0.000 1.055 644 V CA -0.246 62.036 62.300 -0.030 0.000 1.060 644 V CB 0.756 32.624 31.823 0.075 0.000 1.210 644 V HN 0.926 nan 8.190 nan 0.000 0.457 645 E N 1.439 121.665 120.200 0.043 0.000 3.254 645 E HA -0.021 4.339 4.350 0.017 0.000 0.221 645 E C 1.033 177.647 176.600 0.023 0.000 1.079 645 E CA 0.924 57.348 56.400 0.040 0.000 0.921 645 E CB -1.113 28.627 29.700 0.066 0.000 0.947 645 E HN 1.253 nan 8.360 nan 0.000 0.554 646 G N 3.130 111.931 108.800 0.002 0.000 2.200 646 G HA2 -0.327 3.643 3.960 0.017 0.000 0.268 646 G HA3 -0.327 3.643 3.960 0.017 0.000 0.268 646 G C 0.116 175.023 174.900 0.013 0.000 0.986 646 G CA 0.761 45.863 45.100 0.003 0.000 0.677 646 G HN 0.544 nan 8.290 nan 0.000 0.532 647 E N -0.175 120.037 120.200 0.020 0.000 2.263 647 E HA 0.506 4.866 4.350 0.017 0.000 0.264 647 E C -0.109 176.515 176.600 0.040 0.000 0.923 647 E CA -0.747 55.672 56.400 0.033 0.000 0.802 647 E CB 1.632 31.358 29.700 0.042 0.000 1.228 647 E HN 0.439 nan 8.360 nan 0.000 0.417 648 E N 0.983 121.217 120.200 0.056 0.000 2.146 648 E HA 0.439 4.799 4.350 0.017 0.000 0.282 648 E C -1.366 175.291 176.600 0.095 0.000 0.989 648 E CA -0.638 55.811 56.400 0.081 0.000 0.799 648 E CB 1.172 30.929 29.700 0.094 0.000 1.088 648 E HN 0.170 nan 8.360 nan 0.000 0.397 649 V N 4.027 124.001 119.914 0.100 0.000 2.817 649 V HA 0.760 4.890 4.120 0.017 0.000 0.303 649 V C 0.091 176.236 176.094 0.085 0.000 1.151 649 V CA 0.466 62.817 62.300 0.085 0.000 0.929 649 V CB 0.829 32.682 31.823 0.051 0.000 1.030 649 V HN 1.194 nan 8.190 nan 0.000 0.427 650 G N 4.872 113.723 108.800 0.084 0.000 2.806 650 G HA2 0.030 4.000 3.960 0.017 0.000 0.236 650 G HA3 0.030 4.000 3.960 0.017 0.000 0.236 650 G C -0.865 174.117 174.900 0.137 0.000 1.387 650 G CA 0.703 45.824 45.100 0.034 0.000 0.884 650 G HN 2.401 nan 8.290 nan 0.000 0.560 651 F N -2.589 117.374 119.950 0.022 0.000 2.726 651 F HA 0.931 5.467 4.527 0.016 0.000 0.324 651 F C -0.708 175.149 175.800 0.094 0.000 1.140 651 F CA -1.358 56.627 58.000 -0.025 0.000 0.964 651 F CB 1.772 40.437 39.000 -0.558 0.000 1.399 651 F HN 1.206 nan 8.300 nan 0.000 0.491 652 L N 0.711 122.175 121.223 0.402 0.000 2.549 652 L HA 0.967 5.318 4.340 0.017 0.000 0.259 652 L C -0.708 176.450 176.870 0.480 0.000 0.934 652 L CA 0.143 55.205 54.840 0.368 0.000 0.865 652 L CB 1.830 44.036 42.059 0.245 0.000 1.352 652 L HN 1.496 nan 8.230 nan 0.000 0.410 653 G N 2.018 111.099 108.800 0.468 0.000 2.315 653 G HA2 0.654 4.625 3.960 0.017 0.000 0.294 653 G HA3 0.654 4.625 3.960 0.017 0.000 0.294 653 G C -1.823 173.327 174.900 0.418 0.000 1.300 653 G CA -0.253 45.123 45.100 0.459 0.000 0.843 653 G HN 1.125 nan 8.290 nan 0.000 0.527 654 A N -0.378 122.636 122.820 0.324 0.000 2.331 654 A HA 0.660 4.990 4.320 0.017 0.000 0.283 654 A C 0.150 177.800 177.584 0.109 0.000 1.142 654 A CA -0.394 51.725 52.037 0.137 0.000 0.812 654 A CB 1.001 20.026 19.000 0.042 0.000 1.074 654 A HN 1.959 nan 8.150 nan 0.000 0.497 655 L N 3.284 124.534 121.223 0.044 0.000 2.534 655 L HA 0.090 4.440 4.340 0.017 0.000 0.271 655 L C 0.728 177.709 176.870 0.185 0.000 1.178 655 L CA 0.413 55.309 54.840 0.093 0.000 0.907 655 L CB -0.521 41.571 42.059 0.054 0.000 1.164 655 L HN 0.779 nan 8.230 nan 0.000 0.482 656 H N 7.578 126.712 119.070 0.106 0.000 3.216 656 H HA -0.018 4.548 4.556 0.017 0.000 0.283 656 H C -1.486 173.854 175.328 0.020 0.000 0.921 656 H CA -0.666 55.434 56.048 0.087 0.000 1.419 656 H CB 0.892 30.690 29.762 0.060 0.000 1.460 656 H HN 0.627 nan 8.280 nan 0.000 0.553 657 P HA -0.239 nan 4.420 nan 0.000 0.216 657 P C 1.154 178.514 177.300 0.100 0.000 1.150 657 P CA 1.439 64.641 63.100 0.170 0.000 0.843 657 P CB 0.220 31.976 31.700 0.093 0.000 0.787 658 E N -0.406 119.879 120.200 0.142 0.000 2.097 658 E HA -0.188 4.172 4.350 0.017 0.000 0.196 658 E C 1.947 178.427 176.600 -0.200 0.000 1.000 658 E CA 1.226 57.553 56.400 -0.121 0.000 0.804 658 E CB -0.493 28.999 29.700 -0.347 0.000 0.740 658 E HN 0.205 nan 8.360 nan 0.000 0.454 659 I N 0.271 120.680 120.570 -0.269 0.000 2.406 659 I HA -0.138 4.042 4.170 0.017 0.000 0.249 659 I C 2.379 178.404 176.117 -0.153 0.000 1.122 659 I CA 0.811 61.961 61.300 -0.250 0.000 1.431 659 I CB -0.272 37.567 38.000 -0.269 0.000 1.087 659 I HN 0.102 nan 8.210 nan 0.000 0.424 660 A N 0.822 123.604 122.820 -0.064 0.000 1.927 660 A HA -0.327 4.003 4.320 0.017 0.000 0.220 660 A C 2.371 179.932 177.584 -0.039 0.000 1.185 660 A CA 2.507 54.529 52.037 -0.025 0.000 0.639 660 A CB -0.807 18.208 19.000 0.025 0.000 0.820 660 A HN 0.644 nan 8.150 nan 0.000 0.451 661 Q N -0.372 119.402 119.800 -0.043 0.000 2.204 661 Q HA -0.126 4.225 4.340 0.017 0.000 0.198 661 Q C 1.849 177.811 176.000 -0.064 0.000 0.946 661 Q CA 1.408 57.188 55.803 -0.039 0.000 0.859 661 Q CB -0.424 28.300 28.738 -0.024 0.000 0.946 661 Q HN 0.717 nan 8.270 nan 0.000 0.474 662 E N 0.230 120.370 120.200 -0.099 0.000 2.333 662 E HA -0.121 4.239 4.350 0.017 0.000 0.200 662 E C -0.292 176.246 176.600 -0.104 0.000 1.010 662 E CA 0.617 56.949 56.400 -0.113 0.000 0.841 662 E CB 0.190 29.788 29.700 -0.169 0.000 0.757 662 E HN 0.207 nan 8.360 nan 0.000 0.508 663 L N 1.400 122.563 121.223 -0.099 0.000 2.362 663 L HA 0.161 4.511 4.340 0.017 0.000 0.271 663 L C 0.552 177.393 176.870 -0.049 0.000 1.002 663 L CA -0.424 54.372 54.840 -0.075 0.000 0.818 663 L CB 1.553 43.560 42.059 -0.086 0.000 1.298 663 L HN 0.254 nan 8.230 nan 0.000 0.420 664 E N 1.214 121.394 120.200 -0.034 0.000 2.494 664 E HA -0.119 4.241 4.350 0.017 0.000 0.209 664 E C -0.307 176.279 176.600 -0.023 0.000 1.185 664 E CA 0.369 56.755 56.400 -0.022 0.000 0.940 664 E CB -0.201 29.490 29.700 -0.016 0.000 0.902 664 E HN 0.184 nan 8.360 nan 0.000 0.577 665 L N 1.807 123.010 121.223 -0.034 0.000 2.343 665 L HA 0.361 4.711 4.340 0.017 0.000 0.275 665 L C -1.706 175.161 176.870 -0.005 0.000 1.056 665 L CA -2.509 52.308 54.840 -0.040 0.000 0.804 665 L CB 1.073 43.092 42.059 -0.067 0.000 1.203 665 L HN 0.007 nan 8.230 nan 0.000 0.440 666 P HA 0.357 nan 4.420 nan 0.000 0.323 666 P C -2.759 174.594 177.300 0.089 0.000 1.309 666 P CA -1.310 61.841 63.100 0.086 0.000 0.739 666 P CB -0.564 31.238 31.700 0.170 0.000 1.454 667 P HA 0.242 nan 4.420 nan 0.000 0.280 667 P C -0.784 176.568 177.300 0.086 0.000 1.244 667 P CA 0.052 63.194 63.100 0.070 0.000 0.784 667 P CB 0.469 32.207 31.700 0.063 0.000 0.913 668 V N 3.432 123.325 119.914 -0.035 0.000 2.914 668 V HA 0.418 4.548 4.120 0.017 0.000 0.314 668 V C -0.297 175.683 176.094 -0.189 0.000 1.084 668 V CA -0.663 61.642 62.300 0.008 0.000 0.963 668 V CB 2.110 33.965 31.823 0.053 0.000 1.025 668 V HN 0.591 nan 8.190 nan 0.000 0.432 669 H N 3.003 122.180 119.070 0.178 0.000 2.529 669 H HA 0.707 5.273 4.556 0.017 0.000 0.348 669 H C -1.246 174.184 175.328 0.169 0.000 1.079 669 H CA -0.468 55.685 56.048 0.174 0.000 1.198 669 H CB 2.230 32.092 29.762 0.167 0.000 1.521 669 H HN 0.254 nan 8.280 nan 0.000 0.514 670 L N 2.685 124.079 121.223 0.285 0.000 2.230 670 L HA 0.569 4.919 4.340 0.017 0.000 0.255 670 L C -0.723 176.305 176.870 0.264 0.000 1.039 670 L CA -1.027 53.928 54.840 0.192 0.000 0.846 670 L CB 1.229 43.332 42.059 0.073 0.000 1.419 670 L HN 0.651 nan 8.230 nan 0.000 0.435 671 F N -1.110 118.780 119.950 -0.101 0.000 2.689 671 F HA 0.580 5.117 4.527 0.017 0.000 0.314 671 F C -1.270 174.180 175.800 -0.583 0.000 1.068 671 F CA -0.930 56.798 58.000 -0.454 0.000 1.023 671 F CB 0.862 39.748 39.000 -0.189 0.000 1.264 671 F HN 0.490 nan 8.300 nan 0.000 0.474 672 E N 4.775 124.367 120.200 -1.014 0.000 2.274 672 E HA 0.653 5.013 4.350 0.017 0.000 0.269 672 E C -2.111 174.243 176.600 -0.411 0.000 0.891 672 E CA -0.745 55.305 56.400 -0.583 0.000 0.784 672 E CB 1.564 31.099 29.700 -0.275 0.000 1.225 672 E HN 0.690 nan 8.360 nan 0.000 0.412 673 L N 2.406 123.493 121.223 -0.226 0.000 2.286 673 L HA 0.620 4.970 4.340 0.017 0.000 0.265 673 L C 0.028 176.641 176.870 -0.428 0.000 1.012 673 L CA -0.882 53.826 54.840 -0.219 0.000 0.818 673 L CB 1.291 43.334 42.059 -0.025 0.000 1.337 673 L HN 0.641 nan 8.230 nan 0.000 0.438 674 R N 0.607 120.919 120.500 -0.313 0.000 2.460 674 R HA 0.773 5.123 4.340 0.017 0.000 0.303 674 R C -1.371 174.884 176.300 -0.075 0.000 0.968 674 R CA -0.520 55.426 56.100 -0.257 0.000 0.889 674 R CB 1.294 31.516 30.300 -0.129 0.000 1.123 674 R HN 0.549 nan 8.270 nan 0.000 0.455 675 L N 4.277 125.484 121.223 -0.027 0.000 2.313 675 L HA 0.629 4.979 4.340 0.017 0.000 0.268 675 L C -1.944 174.931 176.870 0.008 0.000 1.010 675 L CA -2.291 52.544 54.840 -0.009 0.000 0.814 675 L CB 1.782 43.832 42.059 -0.015 0.000 1.304 675 L HN 0.602 nan 8.230 nan 0.000 0.441 676 P HA 0.221 nan 4.420 nan 0.000 0.278 676 P C -0.852 176.452 177.300 0.008 0.000 1.238 676 P CA -0.428 62.672 63.100 -0.000 0.000 0.794 676 P CB 0.858 32.559 31.700 0.002 0.000 0.955 677 L N 3.852 125.075 121.223 0.001 0.000 2.456 677 L HA 0.191 4.542 4.340 0.017 0.000 0.272 677 L C -1.292 175.595 176.870 0.028 0.000 1.189 677 L CA -1.508 53.347 54.840 0.025 0.000 0.846 677 L CB -0.146 41.919 42.059 0.010 0.000 1.111 677 L HN 0.341 nan 8.230 nan 0.000 0.475 678 P HA 0.152 nan 4.420 nan 0.000 0.274 678 P C -1.223 176.100 177.300 0.039 0.000 1.256 678 P CA -0.343 62.781 63.100 0.040 0.000 0.795 678 P CB 1.142 32.870 31.700 0.047 0.000 1.038 679 D N -0.165 120.254 120.400 0.031 0.000 2.879 679 D HA 0.179 4.829 4.640 0.017 0.000 0.236 679 D C -1.016 175.301 176.300 0.029 0.000 1.171 679 D CA -0.526 53.490 54.000 0.027 0.000 0.868 679 D CB 1.987 42.795 40.800 0.013 0.000 1.598 679 D HN 0.281 nan 8.370 nan 0.000 0.497 680 K N 3.942 124.361 120.400 0.032 0.000 2.281 680 K HA 0.465 4.795 4.320 0.017 0.000 0.272 680 K C -2.463 174.154 176.600 0.027 0.000 1.048 680 K CA -1.412 54.894 56.287 0.031 0.000 0.898 680 K CB 0.989 33.511 32.500 0.036 0.000 1.128 680 K HN 0.076 nan 8.250 nan 0.000 0.460 681 P HA -0.003 nan 4.420 nan 0.000 0.271 681 P C -0.314 177.006 177.300 0.034 0.000 1.226 681 P CA -0.410 62.706 63.100 0.026 0.000 0.765 681 P CB 0.504 32.219 31.700 0.025 0.000 0.835 682 L N 2.157 123.403 121.223 0.039 0.000 2.485 682 L HA 0.412 4.762 4.340 0.017 0.000 0.275 682 L C -0.260 176.651 176.870 0.069 0.000 1.207 682 L CA 0.020 54.893 54.840 0.055 0.000 0.855 682 L CB 0.248 42.346 42.059 0.065 0.000 1.114 682 L HN 0.418 nan 8.230 nan 0.000 0.485 683 A N 5.331 128.194 122.820 0.073 0.000 2.360 683 A HA 0.415 4.745 4.320 0.017 0.000 0.309 683 A C -0.591 177.053 177.584 0.099 0.000 1.311 683 A CA -0.570 51.512 52.037 0.074 0.000 0.805 683 A CB 0.090 19.111 19.000 0.034 0.000 1.144 683 A HN 0.711 nan 8.150 nan 0.000 0.486 684 F N 2.383 122.335 119.950 0.004 0.000 2.586 684 F HA 0.349 4.886 4.527 0.017 0.000 0.344 684 F C 0.450 176.253 175.800 0.004 0.000 1.188 684 F CA 0.586 58.588 58.000 0.002 0.000 1.359 684 F CB 0.654 39.655 39.000 0.001 0.000 1.129 684 F HN 0.637 nan 8.300 nan 0.000 0.609 685 Q N 4.049 123.113 119.800 -1.226 0.000 2.296 685 Q HA 0.217 4.568 4.340 0.017 0.000 0.254 685 Q C -1.664 173.754 176.000 -0.969 0.000 0.936 685 Q CA -1.007 54.267 55.803 -0.881 0.000 0.834 685 Q CB 1.546 30.063 28.738 -0.369 0.000 1.340 685 Q HN 0.529 nan 8.270 nan 0.000 0.428 686 D N 4.811 124.773 120.400 -0.729 0.000 2.531 686 D HA 0.086 4.736 4.640 0.017 0.000 0.239 686 D C -1.890 174.301 176.300 -0.182 0.000 1.144 686 D CA -0.109 53.690 54.000 -0.335 0.000 0.869 686 D CB 0.675 41.399 40.800 -0.126 0.000 1.160 686 D HN 0.287 nan 8.370 nan 0.000 0.484 687 P HA 0.176 nan 4.420 nan 0.000 0.294 687 P C -0.756 176.543 177.300 -0.002 0.000 1.294 687 P CA -0.679 62.397 63.100 -0.039 0.000 0.827 687 P CB 1.070 32.765 31.700 -0.008 0.000 0.992 688 S N 2.016 117.728 115.700 0.021 0.000 2.601 688 S HA 0.262 4.742 4.470 0.017 0.000 0.271 688 S C 1.161 175.788 174.600 0.044 0.000 1.305 688 S CA -0.785 57.459 58.200 0.073 0.000 1.022 688 S CB 1.187 64.477 63.200 0.150 0.000 0.940 688 S HN 0.469 nan 8.310 nan 0.000 0.525 689 R N 0.017 120.496 120.500 -0.035 0.000 2.173 689 R HA 0.094 4.444 4.340 0.017 0.000 0.208 689 R C -0.400 175.792 176.300 -0.181 0.000 1.035 689 R CA 0.383 56.390 56.100 -0.154 0.000 1.004 689 R CB -0.725 29.421 30.300 -0.257 0.000 0.917 689 R HN 0.661 nan 8.270 nan 0.000 0.462 690 H N 3.059 122.131 119.070 0.002 0.000 3.091 690 H HA 0.138 4.704 4.556 0.017 0.000 0.289 690 H C -2.161 173.188 175.328 0.036 0.000 0.995 690 H CA -1.754 54.300 56.048 0.011 0.000 1.461 690 H CB -0.323 29.441 29.762 0.003 0.000 1.510 690 H HN 0.030 nan 8.280 nan 0.000 0.546 691 P HA -0.087 nan 4.420 nan 0.000 0.267 691 P C -0.279 177.118 177.300 0.160 0.000 1.175 691 P CA 0.400 63.559 63.100 0.098 0.000 0.763 691 P CB 0.567 32.290 31.700 0.038 0.000 0.795 692 A N 2.631 125.587 122.820 0.226 0.000 2.304 692 A HA 0.599 4.930 4.320 0.017 0.000 0.271 692 A C 0.082 177.916 177.584 0.416 0.000 1.091 692 A CA -0.106 52.126 52.037 0.325 0.000 0.812 692 A CB 0.237 19.450 19.000 0.355 0.000 1.056 692 A HN 0.537 nan 8.150 nan 0.000 0.489 693 A N 1.015 124.095 122.820 0.433 0.000 2.252 693 A HA 0.623 4.953 4.320 0.017 0.000 0.309 693 A C -0.769 177.159 177.584 0.574 0.000 1.285 693 A CA -0.299 51.986 52.037 0.414 0.000 0.900 693 A CB -0.332 18.830 19.000 0.271 0.000 1.157 693 A HN 0.529 nan 8.150 nan 0.000 0.536 694 F N 2.324 122.355 119.950 0.134 0.000 2.379 694 F HA 0.673 5.210 4.527 0.016 0.000 0.332 694 F C 0.891 176.779 175.800 0.146 0.000 1.096 694 F CA -0.323 57.748 58.000 0.119 0.000 1.105 694 F CB 1.308 40.331 39.000 0.037 0.000 1.189 694 F HN 0.462 nan 8.300 nan 0.000 0.515 695 R N 1.313 121.985 120.500 0.288 0.000 2.668 695 R HA 0.275 4.625 4.340 0.017 0.000 0.272 695 R C -1.573 174.904 176.300 0.296 0.000 1.019 695 R CA -0.900 55.361 56.100 0.269 0.000 0.894 695 R CB 2.133 32.599 30.300 0.275 0.000 1.228 695 R HN 0.755 nan 8.270 nan 0.000 0.460 696 D N 2.443 123.001 120.400 0.265 0.000 2.308 696 D HA 0.558 5.208 4.640 0.017 0.000 0.242 696 D C -0.325 176.117 176.300 0.236 0.000 1.059 696 D CA -0.528 53.645 54.000 0.288 0.000 0.830 696 D CB 2.243 43.182 40.800 0.233 0.000 1.161 696 D HN 0.296 nan 8.370 nan 0.000 0.494 697 L N 0.693 122.071 121.223 0.258 0.000 2.591 697 L HA 0.656 5.006 4.340 0.017 0.000 0.257 697 L C -2.081 174.815 176.870 0.044 0.000 0.935 697 L CA -0.392 54.537 54.840 0.148 0.000 0.873 697 L CB 1.963 44.127 42.059 0.175 0.000 1.397 697 L HN 0.736 nan 8.230 nan 0.000 0.414 698 A N 3.396 126.178 122.820 -0.062 0.000 2.454 698 A HA 0.899 5.229 4.320 0.017 0.000 0.302 698 A C -1.644 175.803 177.584 -0.228 0.000 1.079 698 A CA -0.548 51.375 52.037 -0.190 0.000 0.731 698 A CB 2.162 21.075 19.000 -0.144 0.000 1.299 698 A HN 0.452 nan 8.150 nan 0.000 0.413 699 V N 0.876 120.586 119.914 -0.341 0.000 2.656 699 V HA 0.625 4.755 4.120 0.017 0.000 0.307 699 V C -0.473 175.497 176.094 -0.207 0.000 1.051 699 V CA -0.709 61.419 62.300 -0.286 0.000 0.893 699 V CB 1.608 33.186 31.823 -0.409 0.000 0.999 699 V HN 0.883 nan 8.190 nan 0.000 0.426 700 V N 2.689 122.530 119.914 -0.121 0.000 2.334 700 V HA 0.829 4.960 4.120 0.017 0.000 0.281 700 V C -0.343 175.759 176.094 0.013 0.000 1.016 700 V CA -0.561 61.705 62.300 -0.056 0.000 0.832 700 V CB 1.173 32.971 31.823 -0.041 0.000 0.999 700 V HN 0.596 nan 8.190 nan 0.000 0.439 701 V N 5.287 125.202 119.914 0.002 0.000 3.114 701 V HA 0.613 4.743 4.120 0.017 0.000 0.308 701 V C -2.461 173.516 176.094 -0.195 0.000 1.168 701 V CA -2.319 59.971 62.300 -0.017 0.000 1.015 701 V CB 3.534 35.310 31.823 -0.079 0.000 1.050 701 V HN 0.713 nan 8.190 nan 0.000 0.433 702 P HA -0.071 nan 4.420 nan 0.000 0.266 702 P C 0.374 177.502 177.300 -0.288 0.000 1.162 702 P CA 0.942 63.687 63.100 -0.592 0.000 0.758 702 P CB 0.402 31.866 31.700 -0.393 0.000 0.774 703 A N 6.390 129.067 122.820 -0.238 0.000 2.070 703 A HA -0.113 4.217 4.320 0.017 0.000 0.220 703 A C -0.298 177.231 177.584 -0.092 0.000 1.159 703 A CA 1.523 53.483 52.037 -0.128 0.000 0.656 703 A CB -1.982 16.961 19.000 -0.095 0.000 0.800 703 A HN 0.522 nan 8.150 nan 0.000 0.453 704 P HA 0.005 nan 4.420 nan 0.000 0.216 704 P C 0.480 177.751 177.300 -0.049 0.000 1.156 704 P CA 0.804 63.865 63.100 -0.065 0.000 0.855 704 P CB -0.697 30.963 31.700 -0.067 0.000 0.786 705 T N 4.096 118.610 114.554 -0.067 0.000 2.872 705 T HA 0.018 4.378 4.350 0.017 0.000 0.292 705 T C -2.074 172.622 174.700 -0.006 0.000 1.036 705 T CA -0.011 62.064 62.100 -0.042 0.000 1.136 705 T CB -0.617 68.214 68.868 -0.063 0.000 1.052 705 T HN 0.254 nan 8.240 nan 0.000 0.512 706 P HA 0.131 nan 4.420 nan 0.000 0.284 706 P C 0.394 177.780 177.300 0.143 0.000 1.253 706 P CA -0.718 62.430 63.100 0.080 0.000 0.800 706 P CB 0.700 32.441 31.700 0.068 0.000 0.961 707 Y N 4.093 124.419 120.300 0.043 0.000 2.102 707 Y HA -0.260 4.299 4.550 0.016 0.000 0.280 707 Y C 2.243 178.184 175.900 0.068 0.000 1.178 707 Y CA 2.378 60.520 58.100 0.070 0.000 1.146 707 Y CB -1.432 37.082 38.460 0.089 0.000 0.968 707 Y HN 0.552 nan 8.280 nan 0.000 0.504 708 G N 0.114 109.145 108.800 0.385 0.000 2.940 708 G HA2 -0.434 3.536 3.960 0.017 0.000 0.215 708 G HA3 -0.434 3.536 3.960 0.017 0.000 0.215 708 G C 1.526 176.549 174.900 0.204 0.000 1.322 708 G CA 1.436 46.669 45.100 0.221 0.000 0.781 708 G HN 0.544 nan 8.290 nan 0.000 0.728 709 E N -0.355 119.915 120.200 0.117 0.000 2.200 709 E HA -0.239 4.121 4.350 0.017 0.000 0.211 709 E C 2.705 179.360 176.600 0.092 0.000 1.048 709 E CA 1.619 58.068 56.400 0.080 0.000 0.851 709 E CB -0.318 29.410 29.700 0.046 0.000 0.747 709 E HN 0.317 nan 8.360 nan 0.000 0.462 710 V N 1.119 121.092 119.914 0.099 0.000 2.214 710 V HA -0.295 3.835 4.120 0.017 0.000 0.244 710 V C 2.367 178.563 176.094 0.171 0.000 1.045 710 V CA 2.122 64.459 62.300 0.061 0.000 0.993 710 V CB -0.734 31.057 31.823 -0.053 0.000 0.633 710 V HN 0.269 nan 8.190 nan 0.000 0.449 711 E N 0.293 120.683 120.200 0.316 0.000 2.086 711 E HA -0.334 4.026 4.350 0.017 0.000 0.200 711 E C 2.281 179.014 176.600 0.220 0.000 1.012 711 E CA 1.989 58.624 56.400 0.392 0.000 0.812 711 E CB -0.381 29.662 29.700 0.571 0.000 0.743 711 E HN 0.522 nan 8.360 nan 0.000 0.453 712 A N 1.562 124.482 122.820 0.168 0.000 1.869 712 A HA -0.243 4.087 4.320 0.017 0.000 0.218 712 A C 2.439 180.073 177.584 0.084 0.000 1.203 712 A CA 1.879 53.974 52.037 0.097 0.000 0.638 712 A CB -1.086 17.959 19.000 0.074 0.000 0.831 712 A HN 0.375 nan 8.150 nan 0.000 0.450 713 L N -0.352 120.921 121.223 0.083 0.000 1.961 713 L HA -0.196 4.155 4.340 0.017 0.000 0.210 713 L C 2.612 179.531 176.870 0.082 0.000 1.072 713 L CA 1.984 56.863 54.840 0.065 0.000 0.749 713 L CB -0.489 41.598 42.059 0.047 0.000 0.889 713 L HN 0.341 nan 8.230 nan 0.000 0.432 714 V N -0.034 119.949 119.914 0.115 0.000 2.250 714 V HA -0.414 3.716 4.120 0.017 0.000 0.253 714 V C 2.585 178.759 176.094 0.134 0.000 1.065 714 V CA 2.560 64.951 62.300 0.151 0.000 1.039 714 V CB -1.073 30.920 31.823 0.283 0.000 0.647 714 V HN 0.552 nan 8.190 nan 0.000 0.446 715 R N 0.354 120.925 120.500 0.119 0.000 2.070 715 R HA -0.203 4.147 4.340 0.017 0.000 0.233 715 R C 2.403 178.736 176.300 0.055 0.000 1.137 715 R CA 2.060 58.202 56.100 0.069 0.000 0.945 715 R CB -0.500 29.830 30.300 0.050 0.000 0.845 715 R HN 0.585 nan 8.270 nan 0.000 0.430 716 E N -0.625 119.606 120.200 0.053 0.000 2.401 716 E HA -0.142 4.218 4.350 0.017 0.000 0.199 716 E C 0.973 177.598 176.600 0.040 0.000 1.023 716 E CA 1.051 57.475 56.400 0.039 0.000 0.859 716 E CB 0.168 29.889 29.700 0.034 0.000 0.780 716 E HN 0.563 nan 8.360 nan 0.000 0.523 717 A N -0.143 122.710 122.820 0.054 0.000 2.229 717 A HA 0.369 4.700 4.320 0.017 0.000 0.211 717 A C 2.131 179.760 177.584 0.074 0.000 1.193 717 A CA 0.664 52.732 52.037 0.051 0.000 0.879 717 A CB 0.123 19.151 19.000 0.047 0.000 0.911 717 A HN 0.238 nan 8.150 nan 0.000 0.492 718 A N -0.314 122.571 122.820 0.109 0.000 1.997 718 A HA 0.326 4.657 4.320 0.017 0.000 0.221 718 A C 1.674 179.388 177.584 0.216 0.000 1.172 718 A CA 2.015 54.169 52.037 0.194 0.000 0.645 718 A CB -0.943 18.151 19.000 0.157 0.000 0.813 718 A HN 2.191 nan 8.150 nan 0.000 0.454 719 G N -3.000 105.865 108.800 0.107 0.000 2.541 719 G HA2 0.098 4.069 3.960 0.017 0.000 0.686 719 G HA3 0.098 4.069 3.960 0.017 0.000 0.686 719 G C -2.004 172.932 174.900 0.060 0.000 1.286 719 G CA -0.260 44.865 45.100 0.042 0.000 0.894 719 G HN 0.142 nan 8.290 nan 0.000 0.575 720 P HA 0.197 nan 4.420 nan 0.000 0.245 720 P C 0.406 177.967 177.300 0.434 0.000 1.212 720 P CA 0.786 63.975 63.100 0.148 0.000 0.774 720 P CB 0.035 31.811 31.700 0.126 0.000 0.999 721 Y N -1.010 119.342 120.300 0.087 0.000 2.607 721 Y HA 0.311 4.871 4.550 0.017 0.000 0.266 721 Y C 0.711 176.683 175.900 0.121 0.000 1.178 721 Y CA -2.018 56.157 58.100 0.126 0.000 1.226 721 Y CB -0.729 37.827 38.460 0.161 0.000 1.144 721 Y HN -0.095 nan 8.280 nan 0.000 0.528 722 L N 1.466 122.715 121.223 0.044 0.000 2.385 722 L HA 0.159 4.509 4.340 0.017 0.000 0.281 722 L C 1.222 177.884 176.870 -0.346 0.000 1.106 722 L CA 0.486 54.993 54.840 -0.555 0.000 0.856 722 L CB 0.422 42.245 42.059 -0.394 0.000 1.186 722 L HN 0.249 nan 8.230 nan 0.000 0.453 723 E N 2.256 122.218 120.200 -0.396 0.000 2.024 723 E HA 0.031 4.391 4.350 0.017 0.000 0.190 723 E C -0.024 176.438 176.600 -0.231 0.000 0.974 723 E CA 0.517 56.788 56.400 -0.215 0.000 0.810 723 E CB 0.353 29.969 29.700 -0.140 0.000 0.775 723 E HN 0.734 nan 8.360 nan 0.000 0.453 724 S N -0.406 115.115 115.700 -0.298 0.000 2.648 724 S HA 0.621 5.101 4.470 0.017 0.000 0.305 724 S C -0.835 173.613 174.600 -0.253 0.000 1.094 724 S CA -0.746 57.308 58.200 -0.244 0.000 0.983 724 S CB 1.958 65.014 63.200 -0.239 0.000 1.101 724 S HN 0.319 nan 8.310 nan 0.000 0.514 725 L N 1.659 122.767 121.223 -0.192 0.000 2.752 725 L HA 0.647 4.998 4.340 0.017 0.000 0.257 725 L C -1.100 175.645 176.870 -0.208 0.000 0.968 725 L CA -0.109 54.614 54.840 -0.194 0.000 0.953 725 L CB 0.503 42.453 42.059 -0.182 0.000 1.286 725 L HN 0.841 nan 8.230 nan 0.000 0.443 726 A N 3.779 126.493 122.820 -0.176 0.000 2.435 726 A HA 0.873 5.203 4.320 0.017 0.000 0.296 726 A C -1.761 175.754 177.584 -0.115 0.000 1.147 726 A CA -0.631 51.339 52.037 -0.112 0.000 0.775 726 A CB 2.049 21.050 19.000 0.002 0.000 1.340 726 A HN 0.661 nan 8.150 nan 0.000 0.427 727 L N 1.086 122.325 121.223 0.027 0.000 2.345 727 L HA 0.631 4.981 4.340 0.017 0.000 0.274 727 L C -0.516 176.507 176.870 0.256 0.000 0.999 727 L CA -0.432 54.495 54.840 0.145 0.000 0.849 727 L CB 0.761 42.934 42.059 0.191 0.000 1.220 727 L HN 0.689 nan 8.230 nan 0.000 0.422 728 F N 1.110 121.077 119.950 0.029 0.000 2.727 728 F HA 0.579 5.116 4.527 0.016 0.000 0.302 728 F C 0.131 175.928 175.800 -0.006 0.000 1.097 728 F CA -0.773 57.230 58.000 0.005 0.000 1.330 728 F CB -0.548 38.432 39.000 -0.033 0.000 1.084 728 F HN 0.516 nan 8.300 nan 0.000 0.578 729 D N -0.203 120.054 120.400 -0.239 0.000 2.926 729 D HA 0.499 5.149 4.640 0.017 0.000 0.272 729 D C -1.988 174.200 176.300 -0.187 0.000 1.172 729 D CA -0.546 53.331 54.000 -0.205 0.000 0.731 729 D CB 1.421 42.068 40.800 -0.255 0.000 1.282 729 D HN 0.201 nan 8.370 nan 0.000 0.430 730 L N -0.147 121.023 121.223 -0.089 0.000 2.948 730 L HA 0.788 5.138 4.340 0.017 0.000 0.248 730 L C -2.225 174.735 176.870 0.150 0.000 0.977 730 L CA -0.835 54.012 54.840 0.012 0.000 1.002 730 L CB 0.845 42.889 42.059 -0.025 0.000 1.519 730 L HN 0.550 nan 8.230 nan 0.000 0.422 731 Y N 0.051 120.301 120.300 -0.083 0.000 2.656 731 Y HA 0.666 5.225 4.550 0.014 0.000 0.334 731 Y C 0.362 176.233 175.900 -0.049 0.000 1.179 731 Y CA -1.012 57.055 58.100 -0.056 0.000 1.050 731 Y CB 0.367 38.799 38.460 -0.047 0.000 1.308 731 Y HN 0.696 nan 8.280 nan 0.000 0.456 732 Q N 1.979 121.657 119.800 -0.203 0.000 1.921 732 Q HA 0.305 4.656 4.340 0.017 0.000 0.208 732 Q C 0.545 176.131 176.000 -0.690 0.000 0.994 732 Q CA 2.558 58.180 55.803 -0.302 0.000 0.857 732 Q CB -0.834 27.803 28.738 -0.169 0.000 0.925 732 Q HN 1.569 nan 8.270 nan 0.000 0.421 733 G N -0.066 108.216 108.800 -0.863 0.000 3.445 733 G HA2 -0.057 3.913 3.960 0.017 0.000 0.686 733 G HA3 -0.057 3.913 3.960 0.017 0.000 0.686 733 G C -2.200 172.469 174.900 -0.385 0.000 1.113 733 G CA -0.243 44.203 45.100 -1.091 0.000 0.974 733 G HN 0.131 nan 8.290 nan 0.000 0.492 734 P HA -0.008 nan 4.420 nan 0.000 0.213 734 P C -1.064 176.200 177.300 -0.061 0.000 1.170 734 P CA 1.445 64.505 63.100 -0.066 0.000 0.898 734 P CB -0.435 31.268 31.700 0.004 0.000 0.787 735 P HA -0.008 nan 4.420 nan 0.000 0.278 735 P C -0.117 177.156 177.300 -0.045 0.000 1.366 735 P CA 0.916 64.009 63.100 -0.012 0.000 0.750 735 P CB -1.033 30.692 31.700 0.040 0.000 1.271 736 L N -6.649 114.524 121.223 -0.084 0.000 2.671 736 L HA 0.705 5.055 4.340 0.017 0.000 0.259 736 L C -2.906 173.903 176.870 -0.101 0.000 1.021 736 L CA -2.901 51.881 54.840 -0.098 0.000 0.871 736 L CB 0.518 42.513 42.059 -0.106 0.000 1.472 736 L HN -0.486 nan 8.230 nan 0.000 0.410 737 P HA -0.077 nan 4.420 nan 0.000 0.258 737 P C 0.245 177.539 177.300 -0.010 0.000 1.136 737 P CA 0.601 63.630 63.100 -0.120 0.000 0.761 737 P CB 0.461 31.937 31.700 -0.374 0.000 0.724 738 E N 2.516 122.713 120.200 -0.005 0.000 2.147 738 E HA -0.174 4.186 4.350 0.017 0.000 0.199 738 E C 1.776 178.395 176.600 0.032 0.000 1.005 738 E CA 1.814 58.214 56.400 0.001 0.000 0.810 738 E CB -0.307 29.391 29.700 -0.003 0.000 0.736 738 E HN 0.660 nan 8.360 nan 0.000 0.460 739 G N -0.870 108.006 108.800 0.127 0.000 3.702 739 G HA2 0.115 4.085 3.960 0.017 0.000 0.288 739 G HA3 0.115 4.085 3.960 0.017 0.000 0.288 739 G C -0.664 174.227 174.900 -0.016 0.000 1.193 739 G CA -0.228 44.915 45.100 0.071 0.000 0.952 739 G HN 0.101 nan 8.290 nan 0.000 0.544 740 H N -0.550 118.469 119.070 -0.086 0.000 2.946 740 H HA 0.621 5.187 4.556 0.016 0.000 0.365 740 H C -0.271 174.980 175.328 -0.128 0.000 1.197 740 H CA -0.755 55.236 56.048 -0.096 0.000 1.131 740 H CB 1.749 31.456 29.762 -0.092 0.000 1.849 740 H HN 0.183 nan 8.280 nan 0.000 0.555 741 K N -0.226 120.158 120.400 -0.027 0.000 2.444 741 K HA 0.707 5.037 4.320 0.017 0.000 0.252 741 K C -0.880 175.665 176.600 -0.092 0.000 0.993 741 K CA -1.184 55.046 56.287 -0.095 0.000 0.847 741 K CB 2.270 34.713 32.500 -0.096 0.000 1.340 741 K HN 0.582 nan 8.250 nan 0.000 0.446 742 S N 0.806 116.456 115.700 -0.082 0.000 2.608 742 S HA 0.612 5.092 4.470 0.017 0.000 0.291 742 S C -0.368 174.166 174.600 -0.109 0.000 1.146 742 S CA -0.908 57.262 58.200 -0.050 0.000 1.043 742 S CB 0.543 63.812 63.200 0.115 0.000 1.037 742 S HN 0.532 nan 8.310 nan 0.000 0.520 743 L N 1.800 122.890 121.223 -0.222 0.000 2.457 743 L HA 0.500 4.851 4.340 0.017 0.000 0.266 743 L C -0.155 176.492 176.870 -0.371 0.000 0.979 743 L CA -0.859 53.778 54.840 -0.339 0.000 0.857 743 L CB 1.660 43.343 42.059 -0.627 0.000 1.213 743 L HN 0.984 nan 8.230 nan 0.000 0.418 744 A N 3.939 126.524 122.820 -0.392 0.000 2.457 744 A HA 0.483 4.813 4.320 0.017 0.000 0.298 744 A C -0.845 176.483 177.584 -0.425 0.000 1.288 744 A CA 0.207 51.711 52.037 -0.888 0.000 0.956 744 A CB -0.485 17.546 19.000 -1.615 0.000 1.135 744 A HN 0.405 nan 8.150 nan 0.000 0.535 745 F N 1.711 121.518 119.950 -0.239 0.000 2.375 745 F HA 0.288 4.824 4.527 0.016 0.000 0.361 745 F C 0.615 176.752 175.800 0.561 0.000 1.117 745 F CA -0.892 57.229 58.000 0.201 0.000 1.037 745 F CB 0.963 40.007 39.000 0.074 0.000 1.192 745 F HN 0.627 nan 8.300 nan 0.000 0.452 746 H N 3.460 122.891 119.070 0.602 0.000 2.580 746 H HA 0.573 5.139 4.556 0.017 0.000 0.322 746 H C -0.867 174.457 175.328 -0.008 0.000 1.082 746 H CA -0.516 55.584 56.048 0.088 0.000 1.383 746 H CB 1.203 30.757 29.762 -0.348 0.000 1.450 746 H HN 0.412 nan 8.280 nan 0.000 0.505 747 L N 3.510 124.818 121.223 0.141 0.000 2.370 747 L HA 0.528 4.878 4.340 0.017 0.000 0.266 747 L C -0.444 176.363 176.870 -0.104 0.000 1.002 747 L CA -0.433 54.426 54.840 0.032 0.000 0.818 747 L CB 2.051 44.258 42.059 0.247 0.000 1.325 747 L HN 0.552 nan 8.230 nan 0.000 0.418 748 R N 1.156 121.498 120.500 -0.262 0.000 2.725 748 R HA 0.797 5.147 4.340 0.017 0.000 0.277 748 R C -1.755 174.353 176.300 -0.320 0.000 0.987 748 R CA -0.486 55.466 56.100 -0.247 0.000 0.901 748 R CB 1.926 31.983 30.300 -0.405 0.000 1.207 748 R HN 0.355 nan 8.270 nan 0.000 0.463 749 F N 0.437 120.411 119.950 0.041 0.000 2.626 749 F HA 0.647 5.184 4.527 0.017 0.000 0.311 749 F C -0.108 175.754 175.800 0.103 0.000 1.088 749 F CA -0.706 57.346 58.000 0.087 0.000 0.949 749 F CB 2.349 41.423 39.000 0.123 0.000 1.322 749 F HN 0.222 nan 8.300 nan 0.000 0.461 750 R N 0.244 120.905 120.500 0.268 0.000 2.690 750 R HA 0.341 4.691 4.340 0.017 0.000 0.269 750 R C -2.242 174.081 176.300 0.038 0.000 1.037 750 R CA -0.888 55.309 56.100 0.161 0.000 0.877 750 R CB 2.267 32.632 30.300 0.108 0.000 1.255 750 R HN 0.954 nan 8.270 nan 0.000 0.467 751 H N 3.713 122.715 119.070 -0.114 0.000 2.609 751 H HA 0.319 4.885 4.556 0.017 0.000 0.344 751 H C -1.731 173.480 175.328 -0.194 0.000 1.040 751 H CA -2.502 53.356 56.048 -0.317 0.000 1.216 751 H CB 2.205 31.775 29.762 -0.322 0.000 1.529 751 H HN 0.342 nan 8.280 nan 0.000 0.519 752 P HA -0.250 nan 4.420 nan 0.000 0.208 752 P C 1.051 178.292 177.300 -0.098 0.000 1.189 752 P CA 1.367 64.465 63.100 -0.002 0.000 0.931 752 P CB 0.413 32.109 31.700 -0.006 0.000 0.783 753 K N 0.036 120.282 120.400 -0.257 0.000 2.032 753 K HA -0.123 4.207 4.320 0.017 0.000 0.209 753 K C 1.534 177.739 176.600 -0.660 0.000 1.048 753 K CA 1.326 57.415 56.287 -0.331 0.000 0.927 753 K CB -0.231 32.086 32.500 -0.306 0.000 0.712 753 K HN 0.400 nan 8.250 nan 0.000 0.441 754 R N -0.948 119.004 120.500 -0.914 0.000 2.922 754 R HA 0.367 4.717 4.340 0.017 0.000 0.256 754 R C -0.446 175.453 176.300 -0.668 0.000 1.138 754 R CA -0.779 54.746 56.100 -0.957 0.000 0.995 754 R CB 0.025 30.027 30.300 -0.497 0.000 1.226 754 R HN -0.333 nan 8.270 nan 0.000 0.481 755 T N 0.941 115.306 114.554 -0.315 0.000 2.904 755 T HA 0.313 4.674 4.350 0.017 0.000 0.290 755 T C -0.038 174.690 174.700 0.047 0.000 1.018 755 T CA -0.502 61.590 62.100 -0.015 0.000 1.075 755 T CB 0.342 69.258 68.868 0.080 0.000 0.986 755 T HN 0.226 nan 8.240 nan 0.000 0.523 756 L N 3.198 124.494 121.223 0.121 0.000 2.313 756 L HA 0.362 4.712 4.340 0.017 0.000 0.282 756 L C 0.660 177.591 176.870 0.102 0.000 1.092 756 L CA -0.739 54.196 54.840 0.157 0.000 0.831 756 L CB 0.530 42.703 42.059 0.190 0.000 1.159 756 L HN 0.502 nan 8.230 nan 0.000 0.442 757 R N 2.818 123.374 120.500 0.093 0.000 2.347 757 R HA 0.026 4.377 4.340 0.017 0.000 0.304 757 R C 0.648 176.968 176.300 0.032 0.000 1.072 757 R CA -0.033 56.100 56.100 0.054 0.000 0.980 757 R CB 0.310 30.641 30.300 0.050 0.000 0.986 757 R HN 0.473 nan 8.270 nan 0.000 0.448 758 D N 2.976 123.387 120.400 0.018 0.000 2.239 758 D HA -0.175 4.475 4.640 0.017 0.000 0.202 758 D C 0.781 177.071 176.300 -0.018 0.000 0.993 758 D CA 1.160 55.159 54.000 -0.002 0.000 0.874 758 D CB 0.286 41.087 40.800 0.002 0.000 0.922 758 D HN 0.610 nan 8.370 nan 0.000 0.464 759 E N 0.702 120.897 120.200 -0.008 0.000 2.097 759 E HA -0.184 4.176 4.350 0.017 0.000 0.196 759 E C 1.924 178.503 176.600 -0.035 0.000 1.000 759 E CA 0.971 57.362 56.400 -0.015 0.000 0.804 759 E CB -0.167 29.530 29.700 -0.003 0.000 0.740 759 E HN 0.545 nan 8.360 nan 0.000 0.454 760 E N -0.072 120.107 120.200 -0.036 0.000 2.299 760 E HA -0.067 4.293 4.350 0.017 0.000 0.193 760 E C 2.175 178.692 176.600 -0.137 0.000 0.998 760 E CA 0.810 57.166 56.400 -0.074 0.000 0.851 760 E CB 0.023 29.697 29.700 -0.043 0.000 0.795 760 E HN 0.227 nan 8.360 nan 0.000 0.492 761 V N 0.258 120.090 119.914 -0.136 0.000 2.227 761 V HA -0.211 3.919 4.120 0.017 0.000 0.238 761 V C 1.580 177.552 176.094 -0.203 0.000 1.039 761 V CA 1.558 63.713 62.300 -0.241 0.000 0.990 761 V CB -0.783 30.932 31.823 -0.180 0.000 0.635 761 V HN -0.025 nan 8.190 nan 0.000 0.453 762 E N 0.691 120.823 120.200 -0.114 0.000 2.455 762 E HA -0.137 4.223 4.350 0.017 0.000 0.202 762 E C 2.007 178.565 176.600 -0.070 0.000 1.045 762 E CA 1.109 57.465 56.400 -0.074 0.000 0.872 762 E CB -0.244 29.433 29.700 -0.039 0.000 0.792 762 E HN 0.833 nan 8.360 nan 0.000 0.542 763 E N 0.666 120.813 120.200 -0.088 0.000 2.038 763 E HA -0.031 4.330 4.350 0.017 0.000 0.190 763 E C 1.996 178.545 176.600 -0.086 0.000 0.967 763 E CA 0.902 57.257 56.400 -0.074 0.000 0.816 763 E CB -0.174 29.482 29.700 -0.073 0.000 0.784 763 E HN 0.197 nan 8.360 nan 0.000 0.456 764 A N 1.605 124.349 122.820 -0.127 0.000 2.024 764 A HA -0.131 4.199 4.320 0.017 0.000 0.220 764 A C 2.418 179.956 177.584 -0.076 0.000 1.164 764 A CA 1.489 53.456 52.037 -0.117 0.000 0.643 764 A CB -0.902 17.994 19.000 -0.173 0.000 0.806 764 A HN 0.254 nan 8.150 nan 0.000 0.451 765 V N 0.820 120.674 119.914 -0.099 0.000 2.392 765 V HA -0.240 3.890 4.120 0.017 0.000 0.249 765 V C 2.836 178.927 176.094 -0.004 0.000 1.059 765 V CA 3.006 65.284 62.300 -0.036 0.000 1.051 765 V CB -0.489 31.309 31.823 -0.042 0.000 0.658 765 V HN 0.832 nan 8.190 nan 0.000 0.455 766 S N -0.181 115.507 115.700 -0.021 0.000 2.406 766 S HA -0.146 4.334 4.470 0.017 0.000 0.228 766 S C 2.014 176.609 174.600 -0.007 0.000 1.020 766 S CA 0.552 58.745 58.200 -0.012 0.000 0.965 766 S CB -0.541 62.648 63.200 -0.018 0.000 0.798 766 S HN 0.550 nan 8.310 nan 0.000 0.488 767 R N 1.199 121.691 120.500 -0.014 0.000 2.185 767 R HA 0.002 4.353 4.340 0.017 0.000 0.247 767 R C 2.131 178.436 176.300 0.008 0.000 1.159 767 R CA 1.106 57.200 56.100 -0.010 0.000 0.988 767 R CB -1.614 28.674 30.300 -0.020 0.000 0.871 767 R HN 0.499 nan 8.270 nan 0.000 0.458 768 V N 0.396 120.323 119.914 0.023 0.000 2.326 768 V HA -0.023 4.107 4.120 0.017 0.000 0.237 768 V C 2.440 178.549 176.094 0.023 0.000 1.044 768 V CA 1.378 63.701 62.300 0.038 0.000 1.035 768 V CB -1.052 30.815 31.823 0.074 0.000 0.675 768 V HN 0.284 nan 8.190 nan 0.000 0.470 769 A N 0.621 123.452 122.820 0.020 0.000 1.971 769 A HA -0.374 3.956 4.320 0.017 0.000 0.222 769 A C 2.123 179.707 177.584 -0.001 0.000 1.182 769 A CA 2.750 54.790 52.037 0.006 0.000 0.649 769 A CB -0.715 18.287 19.000 0.003 0.000 0.818 769 A HN 0.812 nan 8.150 nan 0.000 0.458 770 E N 0.018 120.218 120.200 -0.000 0.000 1.997 770 E HA -0.093 4.267 4.350 0.017 0.000 0.201 770 E C 1.903 178.502 176.600 -0.002 0.000 1.011 770 E CA 1.494 57.892 56.400 -0.003 0.000 0.847 770 E CB -0.556 29.141 29.700 -0.004 0.000 0.787 770 E HN 0.448 nan 8.360 nan 0.000 0.472 771 A N 0.479 123.300 122.820 0.002 0.000 2.248 771 A HA -0.005 4.325 4.320 0.017 0.000 0.210 771 A C 1.879 179.465 177.584 0.004 0.000 1.174 771 A CA 0.746 52.785 52.037 0.003 0.000 0.750 771 A CB -0.610 18.394 19.000 0.006 0.000 0.780 771 A HN 0.427 nan 8.150 nan 0.000 0.478 772 L N -0.060 121.165 121.223 0.003 0.000 1.899 772 L HA -0.035 4.316 4.340 0.017 0.000 0.223 772 L C 2.040 178.905 176.870 -0.009 0.000 1.088 772 L CA 2.230 57.069 54.840 -0.002 0.000 0.788 772 L CB -0.706 41.348 42.059 -0.009 0.000 0.889 772 L HN 0.364 nan 8.230 nan 0.000 0.431 773 R N -0.977 119.515 120.500 -0.013 0.000 2.356 773 R HA 0.229 4.579 4.340 0.017 0.000 0.234 773 R C 1.658 177.954 176.300 -0.007 0.000 0.929 773 R CA 0.525 56.618 56.100 -0.011 0.000 1.084 773 R CB -0.112 30.180 30.300 -0.014 0.000 1.105 773 R HN 0.577 nan 8.270 nan 0.000 0.515 774 A N 0.397 123.214 122.820 -0.006 0.000 2.172 774 A HA -0.054 4.276 4.320 0.017 0.000 0.216 774 A C 1.169 178.751 177.584 -0.003 0.000 1.154 774 A CA 0.614 52.648 52.037 -0.005 0.000 0.701 774 A CB -0.171 18.827 19.000 -0.004 0.000 0.789 774 A HN 0.163 nan 8.150 nan 0.000 0.465 775 R N 0.000 120.499 120.500 -0.002 0.000 2.786 775 R HA 0.000 4.350 4.340 0.017 0.000 0.208 775 R CA 0.000 56.099 56.100 -0.001 0.000 0.921 775 R CB 0.000 30.300 30.300 0.000 0.000 0.687 775 R HN 0.000 nan 8.270 nan 0.000 0.535