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 1uvm_1_C DATA FIRST_RESID 1 DATA SEQUENCE PRRAPAFPLS DIKAQMLFAN NIKAQQASKR SFKEGAIETY EGLLSVDPRF DATA SEQUENCE LSFKNELSRY LTDHFPANVD EYGRVYGNGV RTNFFGMRHM NGFPMIPATW DATA SEQUENCE PLASNLKKRA DADLADGPVS ERDNLLFRAA VRLMFSDLEP VPLKIRKGSS DATA SEQUENCE TCIPYFSNDM GTKIEIAERA LEKAEEAGNL MLQGKFDDAY QLHQMGGAYY DATA SEQUENCE VVYRAQSTDA ITLDPKTGKF VSKDRMVADF EYAVTGGEQG SLFAASKDAS DATA SEQUENCE RLKEQYGIDV PDGFFCERRR TAMGGPFALN APIMAVAQPV RNKIYSKYAY DATA SEQUENCE TFHHTTRLNK EEKVKEWSLC VATDVSDHDT FWPGWLRDLI CDELLNMGYA DATA SEQUENCE PWWVKLFETS LKLPVYVGAP APEQGHTLLG DPSNPDLEVG LSSGQGATDL DATA SEQUENCE MGTLLMSITY LVMQLDHTAP HLNSRIKDMP SACRFLDSYW QGHEEIRQIS DATA SEQUENCE KSDDAMLGWT KGRALVGGHR LFEMLKEGKV NPSPYMKISY EHGGAFLGDI DATA SEQUENCE LLYDSRREPG SAIFVGNINS MLNNQFSPEY GVQSGVRDRS KRKRPFPGLA DATA SEQUENCE WASMKDTYGA CPIYSDVLEA IERCWWNAFG ESYRAYREDM LKRDTLELSR DATA SEQUENCE YVASMARQAG LAELTPIDLE VLADPNKLQY KWTEADVSAN IHEVLMHGVS DATA SEQUENCE VEKTERFLRS VMPR 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 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.276 177.300 -0.041 0.000 1.155 1 P CA 0.000 63.082 63.100 -0.031 0.000 0.800 1 P CB 0.000 31.686 31.700 -0.024 0.000 0.726 2 R N 0.398 120.876 120.500 -0.037 0.000 2.583 2 R HA 0.678 5.010 4.340 -0.012 0.000 0.268 2 R C 0.266 176.529 176.300 -0.061 0.000 1.101 2 R CA -0.617 55.458 56.100 -0.043 0.000 1.180 2 R CB -0.103 30.179 30.300 -0.030 0.000 1.128 2 R HN 0.580 nan 8.270 nan 0.000 0.568 3 R N 0.327 120.784 120.500 -0.072 0.000 2.490 3 R HA 0.629 4.962 4.340 -0.012 0.000 0.278 3 R C -0.530 175.718 176.300 -0.087 0.000 1.069 3 R CA -0.470 55.569 56.100 -0.101 0.000 1.080 3 R CB 0.831 31.061 30.300 -0.116 0.000 1.030 3 R HN 0.711 nan 8.270 nan 0.000 0.491 4 A N 4.177 126.938 122.820 -0.099 0.000 2.440 4 A HA 0.325 4.638 4.320 -0.012 0.000 0.251 4 A C -1.900 175.631 177.584 -0.089 0.000 1.089 4 A CA -1.558 50.438 52.037 -0.067 0.000 0.779 4 A CB -0.219 18.752 19.000 -0.049 0.000 1.022 4 A HN 0.761 nan 8.150 nan 0.000 0.492 5 P HA 0.383 nan 4.420 nan 0.000 0.271 5 P C -0.619 176.494 177.300 -0.311 0.000 1.218 5 P CA 0.115 63.077 63.100 -0.231 0.000 0.780 5 P CB 1.235 32.824 31.700 -0.185 0.000 0.901 6 A N 2.855 125.400 122.820 -0.458 0.000 2.386 6 A HA 0.771 5.084 4.320 -0.012 0.000 0.311 6 A C -1.293 175.973 177.584 -0.531 0.000 1.068 6 A CA -0.560 51.337 52.037 -0.234 0.000 0.743 6 A CB 0.841 19.943 19.000 0.170 0.000 1.258 6 A HN 0.386 nan 8.150 nan 0.000 0.429 7 F N 2.583 122.634 119.950 0.169 0.000 2.529 7 F HA 0.548 5.071 4.527 -0.008 0.000 0.320 7 F C -2.135 173.771 175.800 0.176 0.000 1.118 7 F CA -2.165 55.925 58.000 0.149 0.000 0.915 7 F CB 2.304 41.389 39.000 0.141 0.000 1.161 7 F HN 0.358 nan 8.300 nan 0.000 0.445 8 P HA 0.043 nan 4.420 nan 0.000 0.274 8 P C 0.796 178.288 177.300 0.320 0.000 1.246 8 P CA -0.377 62.872 63.100 0.249 0.000 0.795 8 P CB 1.428 33.221 31.700 0.155 0.000 1.006 9 L N 2.343 123.771 121.223 0.343 0.000 2.127 9 L HA -0.198 4.135 4.340 -0.012 0.000 0.211 9 L C 2.354 179.363 176.870 0.231 0.000 1.089 9 L CA 2.676 57.736 54.840 0.366 0.000 0.757 9 L CB -1.614 40.659 42.059 0.357 0.000 0.899 9 L HN 0.484 nan 8.230 nan 0.000 0.434 10 S N -1.834 113.970 115.700 0.174 0.000 2.469 10 S HA -0.146 4.317 4.470 -0.012 0.000 0.238 10 S C 1.058 175.736 174.600 0.129 0.000 0.998 10 S CA 0.395 58.669 58.200 0.124 0.000 0.957 10 S CB -0.915 62.342 63.200 0.095 0.000 0.764 10 S HN 0.638 nan 8.310 nan 0.000 0.514 11 D N 0.808 121.310 120.400 0.170 0.000 2.414 11 D HA 0.053 4.686 4.640 -0.012 0.000 0.242 11 D C 1.107 177.469 176.300 0.102 0.000 1.129 11 D CA -0.189 53.905 54.000 0.156 0.000 0.885 11 D CB 0.857 41.807 40.800 0.250 0.000 1.198 11 D HN 0.157 nan 8.370 nan 0.000 0.437 12 I N 4.052 124.656 120.570 0.057 0.000 2.423 12 I HA -0.226 3.937 4.170 -0.012 0.000 0.254 12 I C 2.059 178.158 176.117 -0.029 0.000 1.151 12 I CA 1.469 62.784 61.300 0.024 0.000 1.421 12 I CB -0.019 37.990 38.000 0.014 0.000 1.079 12 I HN 0.385 nan 8.210 nan 0.000 0.431 13 K N 0.211 120.536 120.400 -0.124 0.000 2.148 13 K HA -0.060 4.253 4.320 -0.012 0.000 0.204 13 K C 2.074 178.584 176.600 -0.151 0.000 1.050 13 K CA 1.287 57.417 56.287 -0.261 0.000 0.942 13 K CB -0.231 31.854 32.500 -0.691 0.000 0.724 13 K HN 0.478 nan 8.250 nan 0.000 0.446 14 A N 0.796 123.617 122.820 0.002 0.000 1.935 14 A HA -0.086 4.227 4.320 -0.012 0.000 0.214 14 A C 1.997 179.681 177.584 0.166 0.000 1.178 14 A CA 0.655 52.776 52.037 0.140 0.000 0.640 14 A CB -0.107 19.110 19.000 0.363 0.000 0.825 14 A HN 0.121 nan 8.150 nan 0.000 0.447 15 Q N -0.239 119.658 119.800 0.160 0.000 2.135 15 Q HA -0.130 4.203 4.340 -0.012 0.000 0.204 15 Q C 1.991 178.075 176.000 0.140 0.000 0.981 15 Q CA 1.402 57.319 55.803 0.190 0.000 0.856 15 Q CB -0.458 28.350 28.738 0.116 0.000 0.902 15 Q HN 0.681 nan 8.270 nan 0.000 0.425 16 M N 0.083 119.713 119.600 0.049 0.000 2.632 16 M HA -0.072 4.401 4.480 -0.012 0.000 0.256 16 M C 1.723 178.031 176.300 0.013 0.000 1.080 16 M CA 0.793 56.124 55.300 0.052 0.000 1.084 16 M CB -0.290 32.346 32.600 0.060 0.000 1.439 16 M HN 0.149 nan 8.290 nan 0.000 0.509 17 L N -1.065 120.023 121.223 -0.225 0.000 2.492 17 L HA 0.056 4.388 4.340 -0.012 0.000 0.223 17 L C -0.162 176.242 176.870 -0.777 0.000 1.132 17 L CA 0.262 54.757 54.840 -0.575 0.000 0.850 17 L CB -0.136 41.321 42.059 -1.004 0.000 0.966 17 L HN 0.086 nan 8.230 nan 0.000 0.454 18 F N 0.064 120.027 119.950 0.022 0.000 2.460 18 F HA 0.564 5.083 4.527 -0.013 0.000 0.341 18 F C 0.672 176.475 175.800 0.006 0.000 1.130 18 F CA -1.021 56.989 58.000 0.016 0.000 0.962 18 F CB 0.795 39.751 39.000 -0.073 0.000 1.171 18 F HN -0.213 nan 8.300 nan 0.000 0.436 19 A N 1.886 124.792 122.820 0.143 0.000 2.409 19 A HA 0.069 4.382 4.320 -0.012 0.000 0.246 19 A C 0.568 178.236 177.584 0.139 0.000 1.099 19 A CA -0.342 51.758 52.037 0.104 0.000 0.789 19 A CB 0.109 19.201 19.000 0.153 0.000 1.053 19 A HN 0.777 nan 8.150 nan 0.000 0.503 20 N N 0.670 119.441 118.700 0.118 0.000 3.254 20 N HA 0.148 4.881 4.740 -0.012 0.000 0.308 20 N C -0.810 174.749 175.510 0.082 0.000 1.281 20 N CA 0.042 53.144 53.050 0.085 0.000 1.212 20 N CB -0.861 37.666 38.487 0.065 0.000 1.478 20 N HN 0.720 nan 8.380 nan 0.000 0.548 21 N N -0.902 117.852 118.700 0.089 0.000 2.416 21 N HA 0.271 5.004 4.740 -0.012 0.000 0.276 21 N C 0.609 176.142 175.510 0.038 0.000 1.261 21 N CA -0.818 52.274 53.050 0.070 0.000 0.790 21 N CB 0.787 39.333 38.487 0.098 0.000 1.554 21 N HN -0.247 nan 8.380 nan 0.000 0.481 22 I N 0.203 120.783 120.570 0.016 0.000 2.208 22 I HA -0.220 3.942 4.170 -0.012 0.000 0.245 22 I C 1.851 177.947 176.117 -0.035 0.000 1.097 22 I CA 1.357 62.650 61.300 -0.013 0.000 1.363 22 I CB -0.942 37.052 38.000 -0.011 0.000 1.051 22 I HN 0.642 nan 8.210 nan 0.000 0.413 23 K N 1.085 121.480 120.400 -0.008 0.000 2.002 23 K HA -0.112 4.201 4.320 -0.012 0.000 0.209 23 K C 2.251 178.771 176.600 -0.133 0.000 1.048 23 K CA 1.594 57.864 56.287 -0.029 0.000 0.930 23 K CB -0.423 32.109 32.500 0.053 0.000 0.714 23 K HN 0.316 nan 8.250 nan 0.000 0.438 24 A N 1.847 124.644 122.820 -0.038 0.000 1.883 24 A HA -0.207 4.106 4.320 -0.012 0.000 0.217 24 A C 2.209 179.613 177.584 -0.300 0.000 1.186 24 A CA 1.428 53.397 52.037 -0.113 0.000 0.624 24 A CB -0.374 18.769 19.000 0.238 0.000 0.822 24 A HN 0.262 nan 8.150 nan 0.000 0.444 25 Q N -0.425 119.269 119.800 -0.175 0.000 2.084 25 Q HA -0.204 4.129 4.340 -0.012 0.000 0.202 25 Q C 2.176 177.995 176.000 -0.302 0.000 0.978 25 Q CA 1.824 57.485 55.803 -0.236 0.000 0.844 25 Q CB -0.482 28.188 28.738 -0.113 0.000 0.898 25 Q HN 0.832 nan 8.270 nan 0.000 0.426 26 Q N -0.032 119.631 119.800 -0.228 0.000 2.084 26 Q HA -0.081 4.252 4.340 -0.012 0.000 0.202 26 Q C 2.032 177.891 176.000 -0.236 0.000 0.978 26 Q CA 1.370 57.062 55.803 -0.185 0.000 0.844 26 Q CB -0.155 28.512 28.738 -0.118 0.000 0.898 26 Q HN 0.392 nan 8.270 nan 0.000 0.426 27 A N 0.797 123.371 122.820 -0.409 0.000 1.933 27 A HA -0.221 4.092 4.320 -0.012 0.000 0.218 27 A C 2.224 179.612 177.584 -0.327 0.000 1.175 27 A CA 1.819 53.565 52.037 -0.484 0.000 0.628 27 A CB -0.708 17.507 19.000 -1.309 0.000 0.814 27 A HN 0.479 nan 8.150 nan 0.000 0.444 28 S N 0.107 115.357 115.700 -0.750 0.000 2.383 28 S HA -0.152 4.311 4.470 -0.012 0.000 0.227 28 S C 1.661 176.171 174.600 -0.151 0.000 1.026 28 S CA 1.518 59.147 58.200 -0.952 0.000 0.981 28 S CB -0.320 61.726 63.200 -1.923 0.000 0.818 28 S HN 0.636 nan 8.310 nan 0.000 0.472 29 K N 0.608 120.899 120.400 -0.182 0.000 2.361 29 K HA 0.223 4.536 4.320 -0.012 0.000 0.194 29 K C 0.776 177.338 176.600 -0.063 0.000 1.032 29 K CA -0.304 55.884 56.287 -0.165 0.000 1.048 29 K CB 0.048 32.430 32.500 -0.196 0.000 0.842 29 K HN 0.289 nan 8.250 nan 0.000 0.526 30 R N 2.789 123.336 120.500 0.078 0.000 2.486 30 R HA -0.069 4.263 4.340 -0.012 0.000 0.304 30 R C -0.212 176.250 176.300 0.271 0.000 0.913 30 R CA 0.206 56.384 56.100 0.130 0.000 1.124 30 R CB 0.215 30.596 30.300 0.134 0.000 0.891 30 R HN 0.131 nan 8.270 nan 0.000 0.410 31 S N 4.276 120.080 115.700 0.173 0.000 2.693 31 S HA 0.230 4.693 4.470 -0.012 0.000 0.276 31 S C -0.004 174.727 174.600 0.218 0.000 1.192 31 S CA -0.963 57.387 58.200 0.251 0.000 0.994 31 S CB 0.695 63.998 63.200 0.171 0.000 1.012 31 S HN 0.526 nan 8.310 nan 0.000 0.550 32 F N 1.388 121.409 119.950 0.119 0.000 2.629 32 F HA 0.370 4.890 4.527 -0.012 0.000 0.377 32 F C 0.174 176.015 175.800 0.068 0.000 1.101 32 F CA 0.683 58.726 58.000 0.071 0.000 1.301 32 F CB 0.210 39.243 39.000 0.054 0.000 1.062 32 F HN 0.572 nan 8.300 nan 0.000 0.583 33 K N 4.593 124.573 120.400 -0.700 0.000 2.469 33 K HA 0.446 4.759 4.320 -0.012 0.000 0.254 33 K C -1.453 174.750 176.600 -0.661 0.000 0.939 33 K CA -0.772 55.251 56.287 -0.440 0.000 0.812 33 K CB 1.918 34.285 32.500 -0.223 0.000 1.301 33 K HN 0.729 nan 8.250 nan 0.000 0.433 34 E N 0.515 120.481 120.200 -0.389 0.000 2.423 34 E HA 0.806 5.149 4.350 -0.012 0.000 0.280 34 E C -0.834 175.434 176.600 -0.553 0.000 1.030 34 E CA -1.477 54.655 56.400 -0.447 0.000 0.812 34 E CB 1.867 31.444 29.700 -0.205 0.000 1.313 34 E HN 0.608 nan 8.360 nan 0.000 0.456 35 G N -0.232 107.936 108.800 -1.052 0.000 2.358 35 G HA2 0.477 4.429 3.960 -0.012 0.000 0.301 35 G HA3 0.477 4.429 3.960 -0.012 0.000 0.301 35 G C -1.104 173.209 174.900 -0.979 0.000 1.539 35 G CA -0.462 44.025 45.100 -1.021 0.000 0.893 35 G HN 0.785 nan 8.290 nan 0.000 0.636 36 A N 0.526 123.061 122.820 -0.475 0.000 2.531 36 A HA 0.550 4.863 4.320 -0.012 0.000 0.236 36 A C 1.010 178.527 177.584 -0.112 0.000 1.062 36 A CA 0.471 52.451 52.037 -0.095 0.000 0.760 36 A CB -0.267 18.844 19.000 0.184 0.000 0.995 36 A HN 1.822 nan 8.150 nan 0.000 0.501 37 I N -0.928 119.608 120.570 -0.056 0.000 2.713 37 I HA 0.424 4.587 4.170 -0.012 0.000 0.300 37 I C 0.336 176.439 176.117 -0.023 0.000 1.009 37 I CA -0.591 60.680 61.300 -0.048 0.000 1.305 37 I CB 1.084 39.063 38.000 -0.034 0.000 1.430 37 I HN 0.711 nan 8.210 nan 0.000 0.546 38 E N 2.932 123.112 120.200 -0.033 0.000 1.861 38 E HA 0.116 4.459 4.350 -0.012 0.000 0.263 38 E C 0.457 177.010 176.600 -0.077 0.000 1.137 38 E CA -0.165 56.215 56.400 -0.034 0.000 0.944 38 E CB 0.452 30.140 29.700 -0.019 0.000 1.092 38 E HN 0.806 nan 8.360 nan 0.000 0.420 39 T N 3.239 117.720 114.554 -0.121 0.000 2.653 39 T HA -0.194 4.149 4.350 -0.012 0.000 0.268 39 T C -0.147 174.236 174.700 -0.529 0.000 1.035 39 T CA 1.609 63.541 62.100 -0.279 0.000 1.154 39 T CB -0.101 68.588 68.868 -0.299 0.000 0.862 39 T HN 0.354 nan 8.240 nan 0.000 0.441 40 Y N -0.417 119.884 120.300 0.002 0.000 2.615 40 Y HA 0.399 4.942 4.550 -0.012 0.000 0.341 40 Y C -0.202 175.710 175.900 0.021 0.000 1.089 40 Y CA -1.785 56.333 58.100 0.030 0.000 1.049 40 Y CB 1.150 39.675 38.460 0.109 0.000 1.296 40 Y HN -0.068 nan 8.280 nan 0.000 0.470 41 E N 0.613 120.926 120.200 0.189 0.000 2.558 41 E HA 0.249 4.591 4.350 -0.012 0.000 0.255 41 E C 0.794 177.457 176.600 0.106 0.000 0.968 41 E CA 1.464 57.924 56.400 0.099 0.000 0.939 41 E CB 0.080 29.819 29.700 0.065 0.000 0.921 41 E HN 0.892 nan 8.360 nan 0.000 0.477 42 G N 3.215 112.053 108.800 0.064 0.000 2.189 42 G HA2 -0.291 3.662 3.960 -0.012 0.000 0.267 42 G HA3 -0.291 3.662 3.960 -0.012 0.000 0.267 42 G C -0.028 174.902 174.900 0.052 0.000 0.975 42 G CA 0.072 45.204 45.100 0.053 0.000 0.644 42 G HN 0.466 nan 8.290 nan 0.000 0.537 43 L N 0.695 121.950 121.223 0.054 0.000 2.343 43 L HA 0.647 4.980 4.340 -0.012 0.000 0.278 43 L C -0.545 176.299 176.870 -0.043 0.000 0.996 43 L CA -1.007 53.838 54.840 0.008 0.000 0.831 43 L CB 1.155 43.216 42.059 0.004 0.000 1.232 43 L HN -0.012 nan 8.230 nan 0.000 0.413 44 L N 3.190 124.404 121.223 -0.015 0.000 2.350 44 L HA 0.225 4.558 4.340 -0.012 0.000 0.275 44 L C 1.638 178.537 176.870 0.048 0.000 1.099 44 L CA 0.484 55.334 54.840 0.016 0.000 0.808 44 L CB 1.784 43.875 42.059 0.054 0.000 1.149 44 L HN 0.765 nan 8.230 nan 0.000 0.442 45 S N 1.667 117.436 115.700 0.116 0.000 2.465 45 S HA -0.115 4.348 4.470 -0.012 0.000 0.241 45 S C 1.066 175.926 174.600 0.432 0.000 1.000 45 S CA 1.034 59.434 58.200 0.334 0.000 0.964 45 S CB -0.469 62.924 63.200 0.321 0.000 0.763 45 S HN 0.589 nan 8.310 nan 0.000 0.512 46 V N -1.720 118.357 119.914 0.272 0.000 3.483 46 V HA 0.303 4.416 4.120 -0.012 0.000 0.301 46 V C 0.332 176.489 176.094 0.105 0.000 1.389 46 V CA -0.406 62.004 62.300 0.184 0.000 1.101 46 V CB -0.623 31.289 31.823 0.149 0.000 0.971 46 V HN 0.303 nan 8.190 nan 0.000 0.434 47 D N 2.431 122.917 120.400 0.144 0.000 2.583 47 D HA 0.030 4.663 4.640 -0.012 0.000 0.232 47 D C -1.391 174.917 176.300 0.013 0.000 1.128 47 D CA -0.698 53.346 54.000 0.074 0.000 0.859 47 D CB 1.979 42.843 40.800 0.107 0.000 1.169 47 D HN 0.162 nan 8.370 nan 0.000 0.481 48 P HA -0.127 nan 4.420 nan 0.000 0.216 48 P C 1.087 178.261 177.300 -0.211 0.000 1.150 48 P CA 1.341 64.353 63.100 -0.148 0.000 0.837 48 P CB 0.265 31.880 31.700 -0.141 0.000 0.786 49 R N -1.886 118.436 120.500 -0.296 0.000 2.066 49 R HA -0.097 4.235 4.340 -0.012 0.000 0.232 49 R C 2.170 178.194 176.300 -0.459 0.000 1.131 49 R CA 1.141 56.891 56.100 -0.584 0.000 0.955 49 R CB -1.419 28.186 30.300 -1.159 0.000 0.851 49 R HN 0.141 nan 8.270 nan 0.000 0.432 50 F N 1.248 120.992 119.950 -0.343 0.000 2.126 50 F HA -0.128 4.392 4.527 -0.012 0.000 0.299 50 F C 1.707 177.564 175.800 0.095 0.000 1.096 50 F CA 1.428 59.442 58.000 0.023 0.000 1.255 50 F CB -0.235 38.880 39.000 0.192 0.000 0.997 50 F HN -0.086 nan 8.300 nan 0.000 0.479 51 L N -1.277 119.904 121.223 -0.070 0.000 2.093 51 L HA -0.193 4.140 4.340 -0.012 0.000 0.208 51 L C 2.705 179.411 176.870 -0.273 0.000 1.085 51 L CA 1.391 56.032 54.840 -0.331 0.000 0.755 51 L CB -1.047 40.653 42.059 -0.599 0.000 0.904 51 L HN 0.163 nan 8.230 nan 0.000 0.435 52 S N 0.056 115.628 115.700 -0.214 0.000 2.356 52 S HA -0.244 4.219 4.470 -0.012 0.000 0.223 52 S C 1.987 176.542 174.600 -0.074 0.000 1.032 52 S CA 1.449 59.558 58.200 -0.151 0.000 1.005 52 S CB -0.361 62.735 63.200 -0.173 0.000 0.867 52 S HN 0.417 nan 8.310 nan 0.000 0.449 53 F N 2.177 121.987 119.950 -0.234 0.000 2.065 53 F HA -0.105 4.415 4.527 -0.012 0.000 0.298 53 F C 2.147 177.852 175.800 -0.158 0.000 1.112 53 F CA 2.034 59.917 58.000 -0.196 0.000 1.212 53 F CB -0.547 38.325 39.000 -0.213 0.000 0.975 53 F HN 0.127 nan 8.300 nan 0.000 0.476 54 K N -0.016 120.188 120.400 -0.327 0.000 2.103 54 K HA -0.256 4.057 4.320 -0.012 0.000 0.207 54 K C 1.931 178.465 176.600 -0.110 0.000 1.048 54 K CA 1.599 57.693 56.287 -0.322 0.000 0.930 54 K CB -0.531 31.949 32.500 -0.032 0.000 0.716 54 K HN 0.362 nan 8.250 nan 0.000 0.444 55 N N 1.260 120.012 118.700 0.087 0.000 2.120 55 N HA -0.197 4.536 4.740 -0.012 0.000 0.188 55 N C 1.690 177.218 175.510 0.029 0.000 1.024 55 N CA 1.441 54.556 53.050 0.109 0.000 0.852 55 N CB 0.105 38.694 38.487 0.171 0.000 1.003 55 N HN 0.200 nan 8.380 nan 0.000 0.424 56 E N -0.596 119.571 120.200 -0.055 0.000 2.028 56 E HA -0.142 4.201 4.350 -0.012 0.000 0.190 56 E C 1.867 178.429 176.600 -0.062 0.000 0.984 56 E CA 0.757 57.134 56.400 -0.038 0.000 0.800 56 E CB -0.184 29.473 29.700 -0.072 0.000 0.758 56 E HN 0.324 nan 8.360 nan 0.000 0.448 57 L N 1.170 122.224 121.223 -0.283 0.000 2.012 57 L HA -0.210 4.123 4.340 -0.012 0.000 0.210 57 L C 2.530 179.348 176.870 -0.086 0.000 1.073 57 L CA 2.461 57.126 54.840 -0.292 0.000 0.748 57 L CB -0.744 40.889 42.059 -0.710 0.000 0.891 57 L HN 0.166 nan 8.230 nan 0.000 0.431 58 S N -0.982 114.697 115.700 -0.035 0.000 2.368 58 S HA -0.226 4.236 4.470 -0.012 0.000 0.225 58 S C 2.167 176.969 174.600 0.337 0.000 1.030 58 S CA 1.165 59.465 58.200 0.166 0.000 0.999 58 S CB -0.607 62.736 63.200 0.238 0.000 0.844 58 S HN 0.506 nan 8.310 nan 0.000 0.459 59 R N -0.582 120.141 120.500 0.371 0.000 2.073 59 R HA 0.039 4.372 4.340 -0.012 0.000 0.229 59 R C 2.353 178.841 176.300 0.313 0.000 1.120 59 R CA 1.476 57.852 56.100 0.459 0.000 0.967 59 R CB -0.582 29.920 30.300 0.337 0.000 0.862 59 R HN 0.573 nan 8.270 nan 0.000 0.436 60 Y N 1.582 121.949 120.300 0.112 0.000 2.089 60 Y HA -0.222 4.321 4.550 -0.012 0.000 0.282 60 Y C 1.961 177.915 175.900 0.090 0.000 1.139 60 Y CA 1.614 59.757 58.100 0.071 0.000 1.123 60 Y CB -0.329 38.094 38.460 -0.060 0.000 0.980 60 Y HN -0.056 nan 8.280 nan 0.000 0.493 61 L N -0.785 120.500 121.223 0.103 0.000 2.013 61 L HA -0.303 4.030 4.340 -0.012 0.000 0.212 61 L C 2.340 179.251 176.870 0.068 0.000 1.073 61 L CA 2.044 56.828 54.840 -0.092 0.000 0.753 61 L CB -1.092 40.463 42.059 -0.841 0.000 0.890 61 L HN 0.260 nan 8.230 nan 0.000 0.432 62 T N -1.239 113.417 114.554 0.169 0.000 2.788 62 T HA -0.199 4.144 4.350 -0.012 0.000 0.268 62 T C 1.569 176.331 174.700 0.103 0.000 1.044 62 T CA 1.375 63.593 62.100 0.196 0.000 1.139 62 T CB -0.219 68.582 68.868 -0.113 0.000 0.867 62 T HN 0.325 nan 8.240 nan 0.000 0.454 63 D N 0.413 120.848 120.400 0.058 0.000 2.084 63 D HA -0.086 4.547 4.640 -0.012 0.000 0.194 63 D C 1.914 178.044 176.300 -0.282 0.000 0.990 63 D CA 1.263 55.224 54.000 -0.065 0.000 0.826 63 D CB -0.145 40.635 40.800 -0.033 0.000 0.971 63 D HN 0.451 nan 8.370 nan 0.000 0.453 64 H N -1.802 116.952 119.070 -0.527 0.000 2.548 64 H HA 0.119 4.668 4.556 -0.012 0.000 0.268 64 H C -0.115 174.571 175.328 -1.070 0.000 0.975 64 H CA 0.440 55.953 56.048 -0.892 0.000 1.195 64 H CB 0.070 29.020 29.762 -1.354 0.000 1.397 64 H HN 0.033 nan 8.280 nan 0.000 0.572 65 F N 0.237 120.213 119.950 0.043 0.000 2.710 65 F HA 0.344 4.864 4.527 -0.012 0.000 0.345 65 F C -2.562 173.322 175.800 0.141 0.000 1.362 65 F CA -2.888 55.175 58.000 0.105 0.000 1.175 65 F CB 0.956 40.048 39.000 0.152 0.000 1.561 65 F HN -0.155 nan 8.300 nan 0.000 0.593 66 P HA 0.196 nan 4.420 nan 0.000 0.272 66 P C -0.080 177.272 177.300 0.086 0.000 1.230 66 P CA -0.269 62.890 63.100 0.099 0.000 0.788 66 P CB 0.769 32.495 31.700 0.043 0.000 0.949 67 A N 2.124 124.965 122.820 0.035 0.000 2.498 67 A HA 0.074 4.387 4.320 -0.012 0.000 0.239 67 A C 0.086 177.638 177.584 -0.053 0.000 1.068 67 A CA 0.147 52.177 52.037 -0.011 0.000 0.766 67 A CB -0.723 18.278 19.000 0.002 0.000 1.003 67 A HN 0.612 nan 8.150 nan 0.000 0.497 68 N N 1.068 119.654 118.700 -0.190 0.000 2.898 68 N HA 0.438 5.171 4.740 -0.012 0.000 0.245 68 N C -1.564 173.647 175.510 -0.498 0.000 1.185 68 N CA -0.270 52.452 53.050 -0.546 0.000 0.879 68 N CB 1.370 39.305 38.487 -0.921 0.000 1.157 68 N HN 0.343 nan 8.380 nan 0.000 0.503 69 V N 1.616 121.484 119.914 -0.077 0.000 2.525 69 V HA 0.164 4.277 4.120 -0.012 0.000 0.299 69 V C -0.190 176.046 176.094 0.237 0.000 1.034 69 V CA -0.995 61.334 62.300 0.049 0.000 0.863 69 V CB 1.594 33.319 31.823 -0.162 0.000 0.999 69 V HN 0.550 nan 8.190 nan 0.000 0.423 70 D N 2.971 123.564 120.400 0.321 0.000 2.414 70 D HA 0.146 4.779 4.640 -0.012 0.000 0.251 70 D C 0.920 177.294 176.300 0.123 0.000 1.252 70 D CA -0.439 53.691 54.000 0.216 0.000 0.999 70 D CB 0.826 41.706 40.800 0.133 0.000 1.093 70 D HN 0.441 nan 8.370 nan 0.000 0.515 71 E N -1.320 118.906 120.200 0.043 0.000 2.267 71 E HA -0.163 4.180 4.350 -0.012 0.000 0.197 71 E C 0.664 177.069 176.600 -0.326 0.000 0.998 71 E CA 1.192 57.523 56.400 -0.115 0.000 0.830 71 E CB -0.569 28.992 29.700 -0.231 0.000 0.751 71 E HN 0.502 nan 8.360 nan 0.000 0.491 72 Y N -0.467 119.735 120.300 -0.163 0.000 2.532 72 Y HA 0.321 4.864 4.550 -0.012 0.000 0.283 72 Y C 1.549 177.427 175.900 -0.037 0.000 1.181 72 Y CA 0.116 58.016 58.100 -0.332 0.000 1.256 72 Y CB 0.557 38.758 38.460 -0.430 0.000 1.112 72 Y HN 0.125 nan 8.280 nan 0.000 0.521 73 G N 0.888 109.814 108.800 0.210 0.000 2.168 73 G HA2 -0.335 3.618 3.960 -0.012 0.000 0.263 73 G HA3 -0.335 3.618 3.960 -0.012 0.000 0.263 73 G C 0.293 175.328 174.900 0.225 0.000 0.977 73 G CA -0.133 45.137 45.100 0.283 0.000 0.659 73 G HN 0.377 nan 8.290 nan 0.000 0.533 74 R N -0.261 120.372 120.500 0.221 0.000 2.390 74 R HA 0.569 4.901 4.340 -0.012 0.000 0.291 74 R C 0.359 176.831 176.300 0.288 0.000 1.070 74 R CA -0.107 56.135 56.100 0.236 0.000 1.014 74 R CB 2.041 32.288 30.300 -0.089 0.000 1.007 74 R HN 0.409 nan 8.270 nan 0.000 0.466 75 V N 4.210 124.315 119.914 0.319 0.000 2.617 75 V HA 0.612 4.724 4.120 -0.012 0.000 0.298 75 V C -1.055 175.219 176.094 0.299 0.000 1.048 75 V CA -0.295 62.122 62.300 0.194 0.000 0.964 75 V CB 0.919 32.782 31.823 0.066 0.000 1.004 75 V HN 0.812 nan 8.190 nan 0.000 0.466 76 Y N 3.200 123.580 120.300 0.132 0.000 2.829 76 Y HA 0.906 5.449 4.550 -0.012 0.000 0.322 76 Y C 0.701 176.662 175.900 0.101 0.000 1.357 76 Y CA -0.332 57.843 58.100 0.125 0.000 1.081 76 Y CB 0.617 39.151 38.460 0.122 0.000 1.339 76 Y HN 1.477 nan 8.280 nan 0.000 0.469 77 G N 1.900 110.832 108.800 0.220 0.000 2.602 77 G HA2 -0.470 3.483 3.960 -0.012 0.000 0.310 77 G HA3 -0.470 3.483 3.960 -0.012 0.000 0.310 77 G C 0.559 175.488 174.900 0.049 0.000 1.183 77 G CA 1.176 46.348 45.100 0.121 0.000 0.979 77 G HN 1.582 nan 8.290 nan 0.000 0.545 78 N N 2.397 121.107 118.700 0.016 0.000 2.550 78 N HA 0.346 5.079 4.740 -0.012 0.000 0.186 78 N C 1.829 177.361 175.510 0.036 0.000 1.110 78 N CA 1.766 54.857 53.050 0.068 0.000 0.912 78 N CB -0.466 38.114 38.487 0.156 0.000 0.968 78 N HN 2.375 nan 8.380 nan 0.000 0.448 79 G N -1.039 107.752 108.800 -0.014 0.000 2.176 79 G HA2 -0.234 3.718 3.960 -0.012 0.000 0.252 79 G HA3 -0.234 3.718 3.960 -0.012 0.000 0.252 79 G C -0.519 174.387 174.900 0.011 0.000 1.024 79 G CA 0.386 45.489 45.100 0.005 0.000 0.755 79 G HN 0.336 nan 8.290 nan 0.000 0.507 80 V N 0.347 120.253 119.914 -0.013 0.000 2.398 80 V HA 0.550 4.663 4.120 -0.012 0.000 0.286 80 V C 1.297 177.348 176.094 -0.071 0.000 1.026 80 V CA 0.010 62.300 62.300 -0.016 0.000 0.868 80 V CB 1.544 33.412 31.823 0.074 0.000 0.982 80 V HN 0.579 nan 8.190 nan 0.000 0.443 81 R N 2.217 122.663 120.500 -0.090 0.000 2.365 81 R HA 0.379 4.712 4.340 -0.012 0.000 0.223 81 R C 0.547 176.820 176.300 -0.045 0.000 0.899 81 R CA 0.019 56.081 56.100 -0.063 0.000 1.059 81 R CB 0.816 31.096 30.300 -0.032 0.000 1.086 81 R HN 0.590 nan 8.270 nan 0.000 0.522 82 T N 0.442 114.905 114.554 -0.151 0.000 2.739 82 T HA 0.190 4.533 4.350 -0.012 0.000 0.303 82 T C -1.520 172.967 174.700 -0.356 0.000 1.389 82 T CA -0.823 61.182 62.100 -0.159 0.000 1.001 82 T CB 1.171 69.980 68.868 -0.099 0.000 1.436 82 T HN 0.386 nan 8.240 nan 0.000 0.500 83 N N 0.214 118.734 118.700 -0.301 0.000 2.235 83 N HA 0.213 4.946 4.740 -0.012 0.000 0.231 83 N C -0.057 175.073 175.510 -0.633 0.000 1.330 83 N CA 0.123 52.899 53.050 -0.456 0.000 0.898 83 N CB -0.057 38.091 38.487 -0.564 0.000 1.151 83 N HN 0.481 nan 8.380 nan 0.000 0.472 84 F N -1.903 117.752 119.950 -0.493 0.000 2.647 84 F HA 0.381 4.901 4.527 -0.012 0.000 0.300 84 F C 0.418 176.124 175.800 -0.158 0.000 1.106 84 F CA -0.536 57.324 58.000 -0.233 0.000 1.313 84 F CB -0.414 38.520 39.000 -0.110 0.000 1.007 84 F HN 0.370 nan 8.300 nan 0.000 0.536 85 F N -0.507 119.532 119.950 0.148 0.000 2.771 85 F HA 0.039 4.558 4.527 -0.012 0.000 0.299 85 F C 2.319 178.108 175.800 -0.019 0.000 1.177 85 F CA 0.216 58.246 58.000 0.049 0.000 1.450 85 F CB -0.451 38.619 39.000 0.116 0.000 1.114 85 F HN 0.150 nan 8.300 nan 0.000 0.587 86 G N 1.402 110.304 108.800 0.169 0.000 2.462 86 G HA2 -0.276 3.677 3.960 -0.012 0.000 0.220 86 G HA3 -0.276 3.677 3.960 -0.012 0.000 0.220 86 G C 1.615 176.666 174.900 0.252 0.000 1.121 86 G CA 0.843 46.062 45.100 0.198 0.000 0.758 86 G HN 0.508 nan 8.290 nan 0.000 0.559 87 M N -0.429 119.278 119.600 0.179 0.000 2.619 87 M HA 0.270 4.743 4.480 -0.012 0.000 0.251 87 M C 1.183 177.513 176.300 0.051 0.000 1.106 87 M CA 0.496 55.909 55.300 0.187 0.000 1.086 87 M CB 0.076 32.787 32.600 0.186 0.000 1.465 87 M HN -0.094 nan 8.290 nan 0.000 0.506 88 R N 1.958 122.314 120.500 -0.240 0.000 4.779 88 R HA 0.206 4.539 4.340 -0.012 0.000 0.217 88 R C -0.756 175.176 176.300 -0.614 0.000 1.934 88 R CA 0.049 55.675 56.100 -0.791 0.000 1.623 88 R CB -0.608 28.974 30.300 -1.196 0.000 1.364 88 R HN 0.468 nan 8.270 nan 0.000 0.799 89 H N 0.616 119.739 119.070 0.090 0.000 2.622 89 H HA 0.253 4.802 4.556 -0.012 0.000 0.363 89 H C 0.167 175.695 175.328 0.334 0.000 1.151 89 H CA -0.987 55.196 56.048 0.226 0.000 1.184 89 H CB 1.830 31.704 29.762 0.186 0.000 1.643 89 H HN -0.029 nan 8.280 nan 0.000 0.531 90 M N 2.595 122.462 119.600 0.444 0.000 3.011 90 M HA 0.101 4.574 4.480 -0.012 0.000 0.292 90 M C -0.223 176.355 176.300 0.464 0.000 1.440 90 M CA -0.186 55.364 55.300 0.417 0.000 1.552 90 M CB -1.843 30.932 32.600 0.292 0.000 1.187 90 M HN 0.410 nan 8.290 nan 0.000 0.520 91 N N 1.434 120.362 118.700 0.380 0.000 2.365 91 N HA 0.262 4.995 4.740 -0.012 0.000 0.265 91 N C 1.236 176.825 175.510 0.133 0.000 1.288 91 N CA 1.012 54.209 53.050 0.245 0.000 0.869 91 N CB 0.315 38.936 38.487 0.223 0.000 1.071 91 N HN 0.869 nan 8.380 nan 0.000 0.480 92 G N 1.298 110.095 108.800 -0.005 0.000 2.231 92 G HA2 -0.238 3.715 3.960 -0.012 0.000 0.206 92 G HA3 -0.238 3.715 3.960 -0.012 0.000 0.206 92 G C -0.312 174.311 174.900 -0.462 0.000 0.996 92 G CA -0.650 44.293 45.100 -0.262 0.000 0.645 92 G HN 0.466 nan 8.290 nan 0.000 0.498 93 F N 3.442 123.422 119.950 0.050 0.000 2.375 93 F HA 0.517 5.037 4.527 -0.011 0.000 0.361 93 F C -1.645 174.230 175.800 0.126 0.000 1.117 93 F CA -2.172 55.883 58.000 0.091 0.000 1.037 93 F CB 2.313 41.386 39.000 0.121 0.000 1.192 93 F HN -0.114 nan 8.300 nan 0.000 0.452 94 P HA 0.240 nan 4.420 nan 0.000 0.278 94 P C -0.594 176.850 177.300 0.239 0.000 1.258 94 P CA -0.683 62.543 63.100 0.210 0.000 0.811 94 P CB 1.338 33.141 31.700 0.172 0.000 1.063 95 M N 0.498 120.190 119.600 0.153 0.000 2.240 95 M HA 0.429 4.901 4.480 -0.012 0.000 0.333 95 M C -0.484 175.866 176.300 0.084 0.000 1.110 95 M CA 0.536 55.906 55.300 0.117 0.000 1.173 95 M CB 0.009 32.646 32.600 0.062 0.000 1.458 95 M HN 0.061 nan 8.290 nan 0.000 0.458 96 I N 2.728 123.332 120.570 0.056 0.000 2.533 96 I HA 0.542 4.705 4.170 -0.012 0.000 0.290 96 I C -2.389 173.744 176.117 0.025 0.000 1.056 96 I CA -1.852 59.446 61.300 -0.004 0.000 1.057 96 I CB 1.821 39.796 38.000 -0.041 0.000 1.240 96 I HN 0.642 nan 8.210 nan 0.000 0.423 97 P HA 0.472 nan 4.420 nan 0.000 0.283 97 P C -0.747 176.470 177.300 -0.137 0.000 1.278 97 P CA -0.418 62.646 63.100 -0.060 0.000 0.834 97 P CB 1.826 33.554 31.700 0.047 0.000 1.150 98 A N 0.312 122.973 122.820 -0.264 0.000 2.272 98 A HA 0.455 4.768 4.320 -0.012 0.000 0.275 98 A C 0.487 177.901 177.584 -0.283 0.000 1.096 98 A CA -0.190 51.627 52.037 -0.367 0.000 0.822 98 A CB -0.449 18.022 19.000 -0.883 0.000 1.088 98 A HN 0.524 nan 8.150 nan 0.000 0.495 99 T N -0.264 114.202 114.554 -0.147 0.000 2.899 99 T HA 0.321 4.664 4.350 -0.012 0.000 0.295 99 T C -0.736 174.014 174.700 0.082 0.000 1.033 99 T CA 0.150 62.240 62.100 -0.017 0.000 1.084 99 T CB -0.061 68.802 68.868 -0.009 0.000 0.979 99 T HN 0.380 nan 8.240 nan 0.000 0.532 100 W N 5.477 126.811 121.300 0.056 0.000 2.315 100 W HA 0.379 5.032 4.660 -0.013 0.000 0.316 100 W C -1.805 174.759 176.519 0.075 0.000 1.211 100 W CA -2.023 55.389 57.345 0.112 0.000 1.201 100 W CB 0.560 30.093 29.460 0.121 0.000 1.184 100 W HN 0.483 nan 8.180 nan 0.000 0.544 101 P HA 0.059 nan 4.420 nan 0.000 0.276 101 P C -0.634 176.749 177.300 0.138 0.000 1.230 101 P CA -0.297 62.876 63.100 0.122 0.000 0.776 101 P CB 1.085 32.808 31.700 0.038 0.000 0.888 102 L N 3.319 124.596 121.223 0.090 0.000 2.513 102 L HA 0.068 4.400 4.340 -0.012 0.000 0.272 102 L C 1.821 178.711 176.870 0.032 0.000 1.187 102 L CA 0.572 55.453 54.840 0.068 0.000 0.895 102 L CB 0.010 42.094 42.059 0.042 0.000 1.147 102 L HN 0.512 nan 8.230 nan 0.000 0.483 103 A N 2.540 125.369 122.820 0.014 0.000 2.067 103 A HA 0.082 4.395 4.320 -0.012 0.000 0.217 103 A C 1.024 178.605 177.584 -0.005 0.000 1.156 103 A CA 1.063 53.105 52.037 0.008 0.000 0.683 103 A CB -0.047 18.946 19.000 -0.011 0.000 0.808 103 A HN 0.589 nan 8.150 nan 0.000 0.455 104 S N -0.306 115.383 115.700 -0.020 0.000 2.614 104 S HA 0.378 4.841 4.470 -0.012 0.000 0.275 104 S C -0.260 174.328 174.600 -0.020 0.000 1.161 104 S CA -0.346 57.843 58.200 -0.017 0.000 0.969 104 S CB 0.794 63.978 63.200 -0.027 0.000 1.059 104 S HN 0.434 nan 8.310 nan 0.000 0.482 105 N N 5.674 124.372 118.700 -0.005 0.000 2.235 105 N HA 0.132 4.865 4.740 -0.012 0.000 0.209 105 N C 1.167 176.695 175.510 0.031 0.000 1.122 105 N CA -0.135 52.911 53.050 -0.007 0.000 0.845 105 N CB -0.366 38.113 38.487 -0.014 0.000 1.004 105 N HN 0.615 nan 8.380 nan 0.000 0.499 106 L N 0.226 121.466 121.223 0.029 0.000 2.012 106 L HA -0.134 4.199 4.340 -0.012 0.000 0.210 106 L C 2.581 179.483 176.870 0.053 0.000 1.073 106 L CA 1.562 56.433 54.840 0.052 0.000 0.748 106 L CB -0.379 41.702 42.059 0.037 0.000 0.891 106 L HN 0.276 nan 8.230 nan 0.000 0.431 107 K N 0.796 121.206 120.400 0.018 0.000 2.062 107 K HA -0.216 4.097 4.320 -0.012 0.000 0.205 107 K C 2.261 178.887 176.600 0.045 0.000 1.051 107 K CA 1.278 57.573 56.287 0.013 0.000 0.941 107 K CB -0.014 32.464 32.500 -0.037 0.000 0.719 107 K HN 0.069 nan 8.250 nan 0.000 0.440 108 K N 0.738 121.161 120.400 0.038 0.000 2.074 108 K HA -0.191 4.122 4.320 -0.012 0.000 0.209 108 K C 2.146 178.881 176.600 0.226 0.000 1.048 108 K CA 1.538 57.871 56.287 0.077 0.000 0.926 108 K CB -0.001 32.473 32.500 -0.043 0.000 0.713 108 K HN 0.146 nan 8.250 nan 0.000 0.444 109 R N -0.271 120.367 120.500 0.231 0.000 2.066 109 R HA -0.055 4.278 4.340 -0.012 0.000 0.232 109 R C 2.436 178.850 176.300 0.191 0.000 1.131 109 R CA 1.144 57.425 56.100 0.303 0.000 0.955 109 R CB -0.304 30.148 30.300 0.255 0.000 0.851 109 R HN 0.250 nan 8.270 nan 0.000 0.432 110 A N 1.508 124.407 122.820 0.132 0.000 1.902 110 A HA -0.196 4.117 4.320 -0.012 0.000 0.217 110 A C 1.471 179.105 177.584 0.083 0.000 1.181 110 A CA 1.877 53.967 52.037 0.088 0.000 0.623 110 A CB -0.410 18.625 19.000 0.059 0.000 0.818 110 A HN 0.175 nan 8.150 nan 0.000 0.443 111 D N -0.117 120.341 120.400 0.096 0.000 2.264 111 D HA 0.040 4.673 4.640 -0.012 0.000 0.208 111 D C 1.676 178.041 176.300 0.108 0.000 0.966 111 D CA 1.264 55.318 54.000 0.090 0.000 0.864 111 D CB -0.208 40.646 40.800 0.089 0.000 0.933 111 D HN 0.445 nan 8.370 nan 0.000 0.499 112 A N 0.168 123.077 122.820 0.149 0.000 2.337 112 A HA 0.039 4.351 4.320 -0.012 0.000 0.227 112 A C 0.060 177.673 177.584 0.049 0.000 1.259 112 A CA -0.036 52.074 52.037 0.122 0.000 0.870 112 A CB 0.105 19.211 19.000 0.176 0.000 0.927 112 A HN -0.030 nan 8.150 nan 0.000 0.497 113 D N -0.606 119.826 120.400 0.053 0.000 2.746 113 D HA -0.132 4.501 4.640 -0.012 0.000 0.236 113 D C -0.486 175.819 176.300 0.009 0.000 1.129 113 D CA 0.898 54.913 54.000 0.025 0.000 0.691 113 D CB -1.287 39.520 40.800 0.013 0.000 1.077 113 D HN 0.466 nan 8.370 nan 0.000 0.432 114 L N -0.184 121.059 121.223 0.034 0.000 2.331 114 L HA 0.679 5.012 4.340 -0.012 0.000 0.275 114 L C 1.039 177.961 176.870 0.087 0.000 1.022 114 L CA -0.907 53.958 54.840 0.041 0.000 0.812 114 L CB 1.530 43.618 42.059 0.048 0.000 1.257 114 L HN 0.045 nan 8.230 nan 0.000 0.435 115 A N 0.694 123.570 122.820 0.094 0.000 2.386 115 A HA 0.207 4.520 4.320 -0.012 0.000 0.248 115 A C 0.286 177.961 177.584 0.152 0.000 1.082 115 A CA -0.275 51.803 52.037 0.068 0.000 0.789 115 A CB 0.117 19.108 19.000 -0.014 0.000 1.025 115 A HN 0.843 nan 8.150 nan 0.000 0.490 116 D N 0.245 120.603 120.400 -0.070 0.000 2.358 116 D HA 0.412 5.044 4.640 -0.012 0.000 0.224 116 D C 0.358 176.144 176.300 -0.858 0.000 1.123 116 D CA 0.593 54.510 54.000 -0.137 0.000 0.833 116 D CB -0.088 40.691 40.800 -0.034 0.000 0.946 116 D HN 0.908 nan 8.370 nan 0.000 0.505 117 G N -0.377 107.634 108.800 -1.316 0.000 2.338 117 G HA2 0.358 4.311 3.960 -0.012 0.000 0.295 117 G HA3 0.358 4.311 3.960 -0.012 0.000 0.295 117 G C -3.234 171.028 174.900 -1.062 0.000 1.461 117 G CA -1.155 42.933 45.100 -1.688 0.000 0.817 117 G HN -0.153 nan 8.290 nan 0.000 0.556 118 P HA 0.152 nan 4.420 nan 0.000 0.261 118 P C 1.078 178.357 177.300 -0.035 0.000 1.183 118 P CA -0.078 62.933 63.100 -0.149 0.000 0.761 118 P CB 1.435 33.114 31.700 -0.037 0.000 0.785 119 V N 2.671 122.673 119.914 0.146 0.000 2.951 119 V HA 0.004 4.117 4.120 -0.012 0.000 0.255 119 V C 0.534 176.627 176.094 -0.002 0.000 1.088 119 V CA 1.977 64.282 62.300 0.010 0.000 1.109 119 V CB -0.241 31.552 31.823 -0.050 0.000 0.724 119 V HN 0.661 nan 8.190 nan 0.000 0.471 120 S N -1.357 114.363 115.700 0.034 0.000 2.632 120 S HA 0.501 4.964 4.470 -0.012 0.000 0.289 120 S C 0.443 175.042 174.600 -0.000 0.000 1.115 120 S CA 0.114 58.312 58.200 -0.002 0.000 0.889 120 S CB 1.667 64.859 63.200 -0.014 0.000 1.116 120 S HN 0.193 nan 8.310 nan 0.000 0.486 121 E N 1.374 121.562 120.200 -0.019 0.000 2.153 121 E HA -0.156 4.187 4.350 -0.012 0.000 0.194 121 E C 1.969 178.553 176.600 -0.026 0.000 0.988 121 E CA 1.650 58.038 56.400 -0.020 0.000 0.811 121 E CB -0.203 29.481 29.700 -0.027 0.000 0.746 121 E HN 0.668 nan 8.360 nan 0.000 0.466 122 R N 0.258 120.731 120.500 -0.045 0.000 2.080 122 R HA -0.184 4.149 4.340 -0.012 0.000 0.236 122 R C 1.407 177.661 176.300 -0.076 0.000 1.137 122 R CA 2.096 58.149 56.100 -0.078 0.000 0.943 122 R CB -0.429 29.809 30.300 -0.105 0.000 0.846 122 R HN 0.181 nan 8.270 nan 0.000 0.431 123 D N 0.171 120.548 120.400 -0.038 0.000 2.123 123 D HA -0.184 4.448 4.640 -0.012 0.000 0.196 123 D C 1.599 177.914 176.300 0.025 0.000 0.992 123 D CA 1.426 55.398 54.000 -0.046 0.000 0.833 123 D CB -0.641 40.243 40.800 0.141 0.000 0.954 123 D HN 0.328 nan 8.370 nan 0.000 0.455 124 N N 0.281 119.039 118.700 0.096 0.000 2.104 124 N HA -0.113 4.620 4.740 -0.012 0.000 0.190 124 N C 1.755 177.321 175.510 0.093 0.000 1.024 124 N CA 0.860 53.996 53.050 0.143 0.000 0.853 124 N CB -0.282 38.242 38.487 0.061 0.000 1.008 124 N HN 0.154 nan 8.380 nan 0.000 0.424 125 L N -0.144 121.087 121.223 0.013 0.000 2.093 125 L HA -0.103 4.230 4.340 -0.012 0.000 0.208 125 L C 2.240 179.087 176.870 -0.038 0.000 1.085 125 L CA 0.710 55.544 54.840 -0.011 0.000 0.755 125 L CB -0.419 41.615 42.059 -0.040 0.000 0.904 125 L HN 0.241 nan 8.230 nan 0.000 0.435 126 L N -1.399 119.758 121.223 -0.110 0.000 2.056 126 L HA -0.191 4.141 4.340 -0.012 0.000 0.207 126 L C 2.516 179.291 176.870 -0.159 0.000 1.078 126 L CA 1.381 56.102 54.840 -0.198 0.000 0.749 126 L CB -0.517 41.349 42.059 -0.322 0.000 0.901 126 L HN 0.113 nan 8.230 nan 0.000 0.433 127 F N 0.086 120.032 119.950 -0.007 0.000 2.134 127 F HA -0.200 4.320 4.527 -0.012 0.000 0.299 127 F C 2.754 178.576 175.800 0.037 0.000 1.097 127 F CA 1.136 59.152 58.000 0.027 0.000 1.264 127 F CB -0.190 38.833 39.000 0.039 0.000 1.001 127 F HN -0.085 nan 8.300 nan 0.000 0.479 128 R N -0.116 120.502 120.500 0.197 0.000 2.115 128 R HA -0.053 4.279 4.340 -0.012 0.000 0.226 128 R C 2.381 178.726 176.300 0.075 0.000 1.100 128 R CA 0.920 57.089 56.100 0.115 0.000 0.980 128 R CB -0.538 29.809 30.300 0.079 0.000 0.875 128 R HN 0.255 nan 8.270 nan 0.000 0.445 129 A N 1.314 124.151 122.820 0.029 0.000 1.898 129 A HA -0.074 4.239 4.320 -0.012 0.000 0.216 129 A C 2.379 179.962 177.584 -0.001 0.000 1.181 129 A CA 1.492 53.521 52.037 -0.014 0.000 0.620 129 A CB -0.660 18.287 19.000 -0.088 0.000 0.819 129 A HN 0.359 nan 8.150 nan 0.000 0.442 130 A N -0.307 122.517 122.820 0.007 0.000 1.892 130 A HA -0.111 4.202 4.320 -0.012 0.000 0.218 130 A C 2.244 180.029 177.584 0.334 0.000 1.188 130 A CA 2.145 54.292 52.037 0.184 0.000 0.631 130 A CB -1.118 18.083 19.000 0.336 0.000 0.822 130 A HN 0.460 nan 8.150 nan 0.000 0.447 131 V N 0.050 120.118 119.914 0.258 0.000 2.295 131 V HA -0.296 3.816 4.120 -0.012 0.000 0.246 131 V C 2.630 178.889 176.094 0.276 0.000 1.049 131 V CA 2.307 64.763 62.300 0.259 0.000 1.024 131 V CB -0.899 30.958 31.823 0.056 0.000 0.648 131 V HN 0.545 nan 8.190 nan 0.000 0.447 132 R N -0.241 120.362 120.500 0.171 0.000 2.096 132 R HA -0.075 4.258 4.340 -0.012 0.000 0.235 132 R C 2.274 178.702 176.300 0.215 0.000 1.127 132 R CA 1.329 57.526 56.100 0.162 0.000 0.968 132 R CB -0.428 29.933 30.300 0.101 0.000 0.861 132 R HN 0.433 nan 8.270 nan 0.000 0.440 133 L N -0.058 121.305 121.223 0.233 0.000 2.109 133 L HA -0.086 4.247 4.340 -0.012 0.000 0.207 133 L C 2.490 179.584 176.870 0.374 0.000 1.086 133 L CA 1.131 56.161 54.840 0.318 0.000 0.760 133 L CB -0.264 41.975 42.059 0.300 0.000 0.910 133 L HN 0.220 nan 8.230 nan 0.000 0.437 134 M N -1.261 118.542 119.600 0.339 0.000 2.236 134 M HA -0.099 4.374 4.480 -0.012 0.000 0.266 134 M C 1.179 177.407 176.300 -0.120 0.000 1.070 134 M CA 1.741 57.101 55.300 0.099 0.000 1.137 134 M CB 0.050 32.654 32.600 0.006 0.000 1.378 134 M HN 0.082 nan 8.290 nan 0.000 0.426 135 F N -0.584 119.403 119.950 0.061 0.000 2.641 135 F HA 0.126 4.646 4.527 -0.012 0.000 0.302 135 F C 2.153 178.033 175.800 0.133 0.000 1.098 135 F CA -0.071 57.956 58.000 0.046 0.000 1.318 135 F CB -0.420 38.503 39.000 -0.127 0.000 1.035 135 F HN 0.120 nan 8.300 nan 0.000 0.551 136 S N -1.357 114.482 115.700 0.232 0.000 2.355 136 S HA 0.009 4.471 4.470 -0.012 0.000 0.216 136 S C 0.727 175.383 174.600 0.093 0.000 1.037 136 S CA 0.577 58.883 58.200 0.178 0.000 0.955 136 S CB -0.130 63.164 63.200 0.157 0.000 0.877 136 S HN 0.157 nan 8.310 nan 0.000 0.488 137 D N 2.286 122.723 120.400 0.063 0.000 2.930 137 D HA 0.396 5.029 4.640 -0.012 0.000 0.304 137 D C -0.549 175.745 176.300 -0.011 0.000 1.298 137 D CA -0.095 53.916 54.000 0.018 0.000 0.949 137 D CB 0.397 41.208 40.800 0.018 0.000 1.013 137 D HN 0.382 nan 8.370 nan 0.000 0.510 138 L N 0.590 121.800 121.223 -0.023 0.000 2.439 138 L HA 0.187 4.520 4.340 -0.012 0.000 0.269 138 L C 0.886 177.726 176.870 -0.051 0.000 1.179 138 L CA 0.017 54.829 54.840 -0.047 0.000 0.828 138 L CB 0.713 42.738 42.059 -0.056 0.000 1.106 138 L HN -0.079 nan 8.230 nan 0.000 0.467 139 E N 2.280 122.452 120.200 -0.047 0.000 2.176 139 E HA 0.374 4.717 4.350 -0.012 0.000 0.267 139 E C -2.377 174.206 176.600 -0.028 0.000 0.893 139 E CA -2.016 54.362 56.400 -0.038 0.000 0.761 139 E CB 1.724 31.403 29.700 -0.035 0.000 1.133 139 E HN 0.292 nan 8.360 nan 0.000 0.409 140 P HA 0.012 nan 4.420 nan 0.000 0.268 140 P C -0.450 176.855 177.300 0.009 0.000 1.205 140 P CA -0.081 63.022 63.100 0.004 0.000 0.771 140 P CB 0.633 32.339 31.700 0.009 0.000 0.858 141 V N 0.455 120.384 119.914 0.025 0.000 3.167 141 V HA 0.758 4.871 4.120 -0.012 0.000 0.310 141 V C -2.849 173.269 176.094 0.041 0.000 1.207 141 V CA -3.060 59.253 62.300 0.021 0.000 1.059 141 V CB 1.453 33.280 31.823 0.007 0.000 1.079 141 V HN 0.214 nan 8.190 nan 0.000 0.446 142 P HA 0.371 nan 4.420 nan 0.000 0.278 142 P C -0.634 176.711 177.300 0.075 0.000 1.238 142 P CA -0.369 62.765 63.100 0.056 0.000 0.794 142 P CB 0.594 32.323 31.700 0.048 0.000 0.955 143 L N 3.304 124.579 121.223 0.087 0.000 2.385 143 L HA 0.160 4.493 4.340 -0.012 0.000 0.281 143 L C 0.108 177.058 176.870 0.132 0.000 1.106 143 L CA -0.314 54.588 54.840 0.103 0.000 0.856 143 L CB 0.045 42.152 42.059 0.079 0.000 1.186 143 L HN 0.177 nan 8.230 nan 0.000 0.453 144 K N 6.608 127.095 120.400 0.144 0.000 2.143 144 K HA 0.532 4.845 4.320 -0.012 0.000 0.272 144 K C -0.617 176.083 176.600 0.166 0.000 1.001 144 K CA -0.350 56.035 56.287 0.164 0.000 0.915 144 K CB 2.006 34.626 32.500 0.201 0.000 1.047 144 K HN 0.572 nan 8.250 nan 0.000 0.458 145 I N 2.097 122.756 120.570 0.150 0.000 2.436 145 I HA 0.274 4.437 4.170 -0.012 0.000 0.289 145 I C 0.205 176.342 176.117 0.034 0.000 1.010 145 I CA -1.242 60.118 61.300 0.101 0.000 1.098 145 I CB 1.912 39.968 38.000 0.093 0.000 1.266 145 I HN 0.357 nan 8.210 nan 0.000 0.434 146 R N 5.964 126.457 120.500 -0.011 0.000 2.522 146 R HA 0.129 4.462 4.340 -0.012 0.000 0.284 146 R C -0.496 175.767 176.300 -0.063 0.000 1.032 146 R CA 0.207 56.281 56.100 -0.044 0.000 1.049 146 R CB 0.412 30.684 30.300 -0.047 0.000 0.956 146 R HN 0.437 nan 8.270 nan 0.000 0.422 147 K N 3.002 123.372 120.400 -0.049 0.000 2.326 147 K HA 0.201 4.514 4.320 -0.012 0.000 0.275 147 K C 0.880 177.437 176.600 -0.071 0.000 1.018 147 K CA 0.714 56.975 56.287 -0.044 0.000 0.962 147 K CB 0.700 33.192 32.500 -0.014 0.000 0.953 147 K HN 0.906 nan 8.250 nan 0.000 0.475 148 G N 1.282 110.037 108.800 -0.075 0.000 2.220 148 G HA2 -0.343 3.610 3.960 -0.012 0.000 0.269 148 G HA3 -0.343 3.610 3.960 -0.012 0.000 0.269 148 G C 0.226 175.069 174.900 -0.094 0.000 0.977 148 G CA 0.749 45.801 45.100 -0.080 0.000 0.634 148 G HN 0.726 nan 8.290 nan 0.000 0.539 149 S N -0.220 115.411 115.700 -0.116 0.000 2.576 149 S HA 0.608 5.071 4.470 -0.012 0.000 0.276 149 S C 0.473 174.977 174.600 -0.161 0.000 1.339 149 S CA 0.742 58.866 58.200 -0.126 0.000 1.039 149 S CB 1.811 64.925 63.200 -0.143 0.000 0.902 149 S HN 1.440 nan 8.310 nan 0.000 0.516 150 S N 1.219 116.846 115.700 -0.122 0.000 2.584 150 S HA 0.331 4.794 4.470 -0.012 0.000 0.273 150 S C 1.424 175.887 174.600 -0.229 0.000 1.311 150 S CA -0.094 58.029 58.200 -0.128 0.000 1.034 150 S CB 0.507 63.684 63.200 -0.038 0.000 0.939 150 S HN 1.021 nan 8.310 nan 0.000 0.513 151 T N 1.257 115.670 114.554 -0.235 0.000 3.148 151 T HA 0.137 4.480 4.350 -0.012 0.000 0.253 151 T C 1.318 175.844 174.700 -0.290 0.000 1.134 151 T CA 0.355 62.333 62.100 -0.204 0.000 1.051 151 T CB -1.489 67.365 68.868 -0.024 0.000 0.959 151 T HN 0.768 nan 8.240 nan 0.000 0.525 152 C N 0.316 119.247 119.300 -0.614 0.000 0.168 152 C HA -0.248 4.204 4.460 -0.012 0.000 0.017 152 C C 1.109 175.246 174.990 -1.421 0.000 0.171 152 C CA -0.711 57.515 59.018 -1.319 0.000 0.499 152 C CB -1.591 25.835 27.740 -0.524 0.000 3.212 152 C HN 0.742 nan 8.230 nan 0.000 1.118 153 I N 3.816 123.864 120.570 -0.870 0.000 2.741 153 I HA 0.079 4.242 4.170 -0.012 0.000 0.288 153 I C -0.870 175.065 176.117 -0.303 0.000 1.192 153 I CA -0.015 61.013 61.300 -0.454 0.000 1.426 153 I CB 0.599 38.444 38.000 -0.258 0.000 1.367 153 I HN 0.578 nan 8.210 nan 0.000 0.563 154 P HA 0.031 nan 4.420 nan 0.000 0.272 154 P C 0.772 177.990 177.300 -0.137 0.000 1.276 154 P CA 0.557 63.483 63.100 -0.290 0.000 0.871 154 P CB 0.331 31.810 31.700 -0.368 0.000 1.313 155 Y N -0.922 119.403 120.300 0.043 0.000 2.420 155 Y HA 0.232 4.771 4.550 -0.019 0.000 0.292 155 Y C 0.907 176.932 175.900 0.208 0.000 1.119 155 Y CA -0.088 58.078 58.100 0.109 0.000 1.229 155 Y CB -1.163 37.313 38.460 0.026 0.000 1.026 155 Y HN -0.284 nan 8.280 nan 0.000 0.554 156 F N 0.416 120.420 119.950 0.091 0.000 3.067 156 F HA -0.270 4.248 4.527 -0.014 0.000 0.279 156 F C 0.737 176.548 175.800 0.019 0.000 0.945 156 F CA 0.590 58.594 58.000 0.006 0.000 0.948 156 F CB -1.596 37.378 39.000 -0.043 0.000 0.898 156 F HN -0.019 nan 8.300 nan 0.000 0.746 157 S N -0.062 115.701 115.700 0.105 0.000 2.586 157 S HA 0.512 4.975 4.470 -0.012 0.000 0.274 157 S C 0.879 175.462 174.600 -0.029 0.000 1.281 157 S CA -0.232 57.994 58.200 0.043 0.000 1.035 157 S CB 0.973 64.179 63.200 0.010 0.000 0.962 157 S HN 0.350 nan 8.310 nan 0.000 0.512 158 N N 1.870 120.550 118.700 -0.032 0.000 2.171 158 N HA 0.179 4.911 4.740 -0.012 0.000 0.212 158 N C -1.177 174.291 175.510 -0.070 0.000 1.184 158 N CA -0.245 52.768 53.050 -0.062 0.000 0.888 158 N CB 0.408 38.872 38.487 -0.038 0.000 1.038 158 N HN 0.633 nan 8.380 nan 0.000 0.517 159 D N 0.505 120.868 120.400 -0.062 0.000 2.343 159 D HA 0.036 4.669 4.640 -0.012 0.000 0.255 159 D C 1.190 177.438 176.300 -0.086 0.000 1.187 159 D CA -0.195 53.766 54.000 -0.064 0.000 0.875 159 D CB 0.735 41.502 40.800 -0.055 0.000 1.136 159 D HN -0.113 nan 8.370 nan 0.000 0.469 160 M N 3.995 123.539 119.600 -0.093 0.000 2.108 160 M HA 0.017 4.490 4.480 -0.012 0.000 0.261 160 M C 1.866 178.082 176.300 -0.141 0.000 1.066 160 M CA 2.119 57.342 55.300 -0.128 0.000 1.107 160 M CB -0.805 31.705 32.600 -0.149 0.000 1.356 160 M HN 0.518 nan 8.290 nan 0.000 0.406 161 G N -1.468 107.260 108.800 -0.121 0.000 2.446 161 G HA2 -0.241 3.712 3.960 -0.012 0.000 0.217 161 G HA3 -0.241 3.712 3.960 -0.012 0.000 0.217 161 G C 1.439 176.290 174.900 -0.080 0.000 1.168 161 G CA 1.570 46.607 45.100 -0.106 0.000 0.771 161 G HN 0.510 nan 8.290 nan 0.000 0.551 162 T N 0.684 115.193 114.554 -0.076 0.000 2.746 162 T HA -0.047 4.296 4.350 -0.012 0.000 0.267 162 T C 2.333 177.013 174.700 -0.032 0.000 1.039 162 T CA 1.404 63.461 62.100 -0.071 0.000 1.142 162 T CB -0.134 68.681 68.868 -0.088 0.000 0.866 162 T HN 0.306 nan 8.240 nan 0.000 0.444 163 K N 0.587 120.964 120.400 -0.038 0.000 2.057 163 K HA -0.015 4.298 4.320 -0.012 0.000 0.207 163 K C 2.219 178.903 176.600 0.140 0.000 1.049 163 K CA 0.960 57.260 56.287 0.021 0.000 0.931 163 K CB -0.246 32.167 32.500 -0.145 0.000 0.714 163 K HN 0.234 nan 8.250 nan 0.000 0.440 164 I N 2.040 122.629 120.570 0.031 0.000 2.163 164 I HA -0.256 3.907 4.170 -0.012 0.000 0.243 164 I C 2.091 178.232 176.117 0.041 0.000 1.085 164 I CA 1.666 62.988 61.300 0.037 0.000 1.347 164 I CB -1.055 36.914 38.000 -0.052 0.000 1.044 164 I HN 0.271 nan 8.210 nan 0.000 0.408 165 E N 0.761 120.967 120.200 0.010 0.000 2.051 165 E HA -0.206 4.137 4.350 -0.012 0.000 0.192 165 E C 2.381 178.987 176.600 0.010 0.000 0.991 165 E CA 1.181 57.578 56.400 -0.005 0.000 0.799 165 E CB -0.150 29.530 29.700 -0.034 0.000 0.748 165 E HN 0.432 nan 8.360 nan 0.000 0.449 166 I N 1.263 121.863 120.570 0.050 0.000 2.163 166 I HA -0.317 3.846 4.170 -0.012 0.000 0.243 166 I C 2.582 178.697 176.117 -0.003 0.000 1.085 166 I CA 1.147 62.489 61.300 0.071 0.000 1.347 166 I CB -0.312 37.815 38.000 0.212 0.000 1.044 166 I HN 0.103 nan 8.210 nan 0.000 0.408 167 A N 0.250 123.086 122.820 0.027 0.000 1.877 167 A HA -0.220 4.093 4.320 -0.012 0.000 0.216 167 A C 2.205 179.716 177.584 -0.121 0.000 1.186 167 A CA 1.673 53.626 52.037 -0.140 0.000 0.620 167 A CB -0.572 18.432 19.000 0.005 0.000 0.822 167 A HN 0.450 nan 8.150 nan 0.000 0.443 168 E N -0.935 119.236 120.200 -0.048 0.000 2.047 168 E HA -0.218 4.125 4.350 -0.012 0.000 0.191 168 E C 2.288 178.849 176.600 -0.065 0.000 0.987 168 E CA 1.262 57.632 56.400 -0.050 0.000 0.799 168 E CB -0.167 29.524 29.700 -0.016 0.000 0.752 168 E HN 0.474 nan 8.360 nan 0.000 0.449 169 R N 1.448 121.917 120.500 -0.051 0.000 2.105 169 R HA -0.117 4.216 4.340 -0.012 0.000 0.239 169 R C 1.975 178.223 176.300 -0.087 0.000 1.135 169 R CA 1.652 57.723 56.100 -0.049 0.000 0.967 169 R CB -0.661 29.627 30.300 -0.020 0.000 0.861 169 R HN 0.149 nan 8.270 nan 0.000 0.442 170 A N 0.654 123.401 122.820 -0.121 0.000 1.877 170 A HA -0.088 4.224 4.320 -0.012 0.000 0.216 170 A C 2.242 179.708 177.584 -0.196 0.000 1.186 170 A CA 1.554 53.491 52.037 -0.167 0.000 0.620 170 A CB -0.668 18.189 19.000 -0.240 0.000 0.822 170 A HN 0.362 nan 8.150 nan 0.000 0.443 171 L N -1.029 120.042 121.223 -0.254 0.000 2.191 171 L HA -0.191 4.142 4.340 -0.012 0.000 0.212 171 L C 2.481 179.325 176.870 -0.043 0.000 1.103 171 L CA 1.558 56.200 54.840 -0.331 0.000 0.769 171 L CB -0.524 41.319 42.059 -0.359 0.000 0.908 171 L HN 0.524 nan 8.230 nan 0.000 0.438 172 E N -0.312 119.847 120.200 -0.068 0.000 2.122 172 E HA -0.096 4.247 4.350 -0.012 0.000 0.190 172 E C 1.643 178.162 176.600 -0.135 0.000 0.977 172 E CA 0.522 56.889 56.400 -0.054 0.000 0.820 172 E CB 0.384 30.052 29.700 -0.052 0.000 0.770 172 E HN 0.148 nan 8.360 nan 0.000 0.462 173 K N -0.168 120.105 120.400 -0.213 0.000 2.374 173 K HA 0.225 4.538 4.320 -0.012 0.000 0.196 173 K C 1.434 177.772 176.600 -0.438 0.000 1.023 173 K CA 0.314 56.347 56.287 -0.424 0.000 1.103 173 K CB 0.769 32.857 32.500 -0.686 0.000 0.848 173 K HN 0.033 nan 8.250 nan 0.000 0.528 174 A N 1.561 124.257 122.820 -0.207 0.000 1.917 174 A HA -0.240 4.073 4.320 -0.012 0.000 0.219 174 A C 2.192 179.661 177.584 -0.192 0.000 1.182 174 A CA 1.940 53.965 52.037 -0.020 0.000 0.633 174 A CB -0.352 18.878 19.000 0.383 0.000 0.819 174 A HN 0.444 nan 8.150 nan 0.000 0.448 175 E N -0.543 119.200 120.200 -0.762 0.000 2.085 175 E HA -0.255 4.087 4.350 -0.012 0.000 0.194 175 E C 2.054 178.286 176.600 -0.613 0.000 0.994 175 E CA 1.437 56.972 56.400 -1.442 0.000 0.801 175 E CB -0.156 28.572 29.700 -1.620 0.000 0.743 175 E HN 0.771 nan 8.360 nan 0.000 0.453 176 E N -0.510 119.444 120.200 -0.411 0.000 2.152 176 E HA -0.154 4.189 4.350 -0.012 0.000 0.192 176 E C 1.809 178.360 176.600 -0.081 0.000 0.983 176 E CA 0.785 57.062 56.400 -0.206 0.000 0.818 176 E CB -0.040 29.566 29.700 -0.158 0.000 0.758 176 E HN 0.327 nan 8.360 nan 0.000 0.467 177 A N 0.739 123.492 122.820 -0.112 0.000 1.897 177 A HA 0.003 4.316 4.320 -0.012 0.000 0.215 177 A C 2.393 180.010 177.584 0.055 0.000 1.181 177 A CA 1.371 53.438 52.037 0.050 0.000 0.620 177 A CB -1.090 17.938 19.000 0.047 0.000 0.821 177 A HN 0.422 nan 8.150 nan 0.000 0.443 178 G N 0.382 109.255 108.800 0.122 0.000 2.491 178 G HA2 -0.320 3.633 3.960 -0.012 0.000 0.218 178 G HA3 -0.320 3.633 3.960 -0.012 0.000 0.218 178 G C 1.415 176.403 174.900 0.146 0.000 1.180 178 G CA 1.181 46.420 45.100 0.231 0.000 0.774 178 G HN 0.512 nan 8.290 nan 0.000 0.562 179 N N 0.454 119.229 118.700 0.125 0.000 2.166 179 N HA -0.035 4.698 4.740 -0.012 0.000 0.186 179 N C 2.293 177.799 175.510 -0.007 0.000 1.019 179 N CA 0.652 53.745 53.050 0.072 0.000 0.856 179 N CB -0.354 38.154 38.487 0.035 0.000 0.993 179 N HN 0.309 nan 8.380 nan 0.000 0.426 180 L N 0.411 121.616 121.223 -0.030 0.000 2.046 180 L HA -0.082 4.251 4.340 -0.012 0.000 0.208 180 L C 2.344 179.085 176.870 -0.215 0.000 1.077 180 L CA 0.959 55.751 54.840 -0.080 0.000 0.747 180 L CB -0.256 41.777 42.059 -0.044 0.000 0.896 180 L HN 0.162 nan 8.230 nan 0.000 0.432 181 M N -0.866 118.566 119.600 -0.280 0.000 2.175 181 M HA -0.210 4.263 4.480 -0.012 0.000 0.264 181 M C 2.223 178.258 176.300 -0.440 0.000 1.063 181 M CA 1.574 56.479 55.300 -0.658 0.000 1.119 181 M CB -0.238 32.094 32.600 -0.447 0.000 1.377 181 M HN 0.239 nan 8.290 nan 0.000 0.415 182 L N -0.239 120.893 121.223 -0.152 0.000 2.191 182 L HA -0.216 4.117 4.340 -0.012 0.000 0.212 182 L C 1.911 178.748 176.870 -0.055 0.000 1.103 182 L CA 1.203 56.016 54.840 -0.046 0.000 0.769 182 L CB -0.402 41.676 42.059 0.032 0.000 0.908 182 L HN 0.393 nan 8.230 nan 0.000 0.438 183 Q N -0.504 119.241 119.800 -0.092 0.000 2.320 183 Q HA 0.135 4.468 4.340 -0.012 0.000 0.201 183 Q C 1.303 177.263 176.000 -0.068 0.000 0.910 183 Q CA 0.486 56.257 55.803 -0.054 0.000 0.946 183 Q CB 0.581 29.294 28.738 -0.040 0.000 1.062 183 Q HN 0.535 nan 8.270 nan 0.000 0.503 184 G N 1.897 110.601 108.800 -0.160 0.000 2.148 184 G HA2 -0.314 3.639 3.960 -0.012 0.000 0.254 184 G HA3 -0.314 3.639 3.960 -0.012 0.000 0.254 184 G C 0.105 174.944 174.900 -0.102 0.000 0.981 184 G CA 0.064 45.113 45.100 -0.085 0.000 0.670 184 G HN 0.268 nan 8.290 nan 0.000 0.528 185 K N 0.366 120.628 120.400 -0.231 0.000 2.518 185 K HA 0.461 4.774 4.320 -0.012 0.000 0.244 185 K C 0.987 177.509 176.600 -0.129 0.000 1.232 185 K CA -0.638 55.587 56.287 -0.104 0.000 1.189 185 K CB -0.265 32.193 32.500 -0.070 0.000 1.737 185 K HN 0.292 nan 8.250 nan 0.000 0.333 186 F N 0.521 120.493 119.950 0.037 0.000 2.186 186 F HA -0.174 4.345 4.527 -0.012 0.000 0.299 186 F C 1.784 177.619 175.800 0.057 0.000 1.090 186 F CA 1.006 59.031 58.000 0.041 0.000 1.307 186 F CB 0.045 39.055 39.000 0.017 0.000 1.019 186 F HN 0.331 nan 8.300 nan 0.000 0.489 187 D N 0.239 120.767 120.400 0.215 0.000 2.144 187 D HA -0.155 4.478 4.640 -0.012 0.000 0.199 187 D C 1.781 178.159 176.300 0.129 0.000 0.984 187 D CA 1.302 55.396 54.000 0.158 0.000 0.834 187 D CB -0.389 40.469 40.800 0.097 0.000 0.955 187 D HN 0.227 nan 8.370 nan 0.000 0.465 188 D N 0.251 120.693 120.400 0.069 0.000 2.117 188 D HA -0.057 4.576 4.640 -0.012 0.000 0.198 188 D C 2.017 178.315 176.300 -0.002 0.000 0.982 188 D CA 1.104 55.111 54.000 0.011 0.000 0.828 188 D CB -0.241 40.552 40.800 -0.012 0.000 0.967 188 D HN 0.119 nan 8.370 nan 0.000 0.464 189 A N 0.099 122.948 122.820 0.047 0.000 1.933 189 A HA -0.212 4.100 4.320 -0.012 0.000 0.218 189 A C 2.164 179.807 177.584 0.098 0.000 1.175 189 A CA 1.157 53.248 52.037 0.090 0.000 0.628 189 A CB -0.881 18.175 19.000 0.093 0.000 0.814 189 A HN 0.322 nan 8.150 nan 0.000 0.444 190 Y N 0.438 120.743 120.300 0.009 0.000 2.163 190 Y HA -0.178 4.368 4.550 -0.007 0.000 0.288 190 Y C 2.476 178.338 175.900 -0.064 0.000 1.136 190 Y CA 2.159 60.246 58.100 -0.021 0.000 1.147 190 Y CB -0.518 37.927 38.460 -0.025 0.000 0.987 190 Y HN 0.424 nan 8.280 nan 0.000 0.509 191 Q N -0.194 119.503 119.800 -0.171 0.000 2.084 191 Q HA -0.157 4.176 4.340 -0.012 0.000 0.202 191 Q C 2.234 178.062 176.000 -0.287 0.000 0.978 191 Q CA 1.991 57.643 55.803 -0.252 0.000 0.844 191 Q CB -0.147 28.540 28.738 -0.085 0.000 0.898 191 Q HN 0.506 nan 8.270 nan 0.000 0.426 192 L N -0.933 120.102 121.223 -0.314 0.000 2.162 192 L HA -0.068 4.265 4.340 -0.012 0.000 0.205 192 L C 1.401 177.916 176.870 -0.593 0.000 1.086 192 L CA 0.709 55.241 54.840 -0.513 0.000 0.778 192 L CB 0.021 41.618 42.059 -0.769 0.000 0.928 192 L HN 0.315 nan 8.230 nan 0.000 0.446 193 H N -1.094 117.911 119.070 -0.109 0.000 3.078 193 H HA 0.203 4.756 4.556 -0.004 0.000 0.263 193 H C 0.094 175.353 175.328 -0.115 0.000 1.177 193 H CA -0.151 55.845 56.048 -0.088 0.000 1.128 193 H CB 0.752 30.481 29.762 -0.056 0.000 1.623 193 H HN 0.113 nan 8.280 nan 0.000 0.592 194 Q N 0.054 119.749 119.800 -0.174 0.000 2.480 194 Q HA -0.188 4.145 4.340 -0.012 0.000 0.265 194 Q C -0.250 175.747 176.000 -0.005 0.000 1.072 194 Q CA 0.738 56.365 55.803 -0.294 0.000 1.018 194 Q CB -1.903 26.697 28.738 -0.231 0.000 1.433 194 Q HN 0.479 nan 8.270 nan 0.000 0.513 195 M N 0.041 119.696 119.600 0.092 0.000 2.080 195 M HA 0.528 5.001 4.480 -0.012 0.000 0.350 195 M C 0.815 177.234 176.300 0.199 0.000 1.143 195 M CA 0.395 55.764 55.300 0.115 0.000 1.064 195 M CB 0.954 33.610 32.600 0.095 0.000 1.429 195 M HN 0.417 nan 8.290 nan 0.000 0.418 196 G N 0.977 109.880 108.800 0.171 0.000 2.291 196 G HA2 0.379 4.331 3.960 -0.012 0.000 0.249 196 G HA3 0.379 4.331 3.960 -0.012 0.000 0.249 196 G C -0.159 174.675 174.900 -0.111 0.000 1.340 196 G CA -0.050 45.099 45.100 0.082 0.000 1.017 196 G HN 1.013 nan 8.290 nan 0.000 0.470 197 G N -0.541 107.999 108.800 -0.434 0.000 3.226 197 G HA2 0.445 4.398 3.960 -0.012 0.000 0.270 197 G HA3 0.445 4.398 3.960 -0.012 0.000 0.270 197 G C 0.737 175.422 174.900 -0.358 0.000 1.592 197 G CA 2.203 46.889 45.100 -0.690 0.000 1.055 197 G HN 2.956 nan 8.290 nan 0.000 0.582 198 A N -2.193 120.459 122.820 -0.281 0.000 2.566 198 A HA 0.699 5.012 4.320 -0.012 0.000 0.290 198 A C -1.325 176.132 177.584 -0.211 0.000 1.071 198 A CA -0.227 51.713 52.037 -0.163 0.000 0.658 198 A CB 0.276 19.275 19.000 -0.001 0.000 1.285 198 A HN 1.495 nan 8.150 nan 0.000 0.427 199 Y N -0.401 119.930 120.300 0.051 0.000 2.301 199 Y HA 0.477 5.021 4.550 -0.009 0.000 0.325 199 Y C -0.186 175.827 175.900 0.188 0.000 1.203 199 Y CA 0.614 58.761 58.100 0.078 0.000 1.255 199 Y CB 1.100 39.576 38.460 0.026 0.000 1.232 199 Y HN 0.620 nan 8.280 nan 0.000 0.501 200 Y N 2.560 123.014 120.300 0.256 0.000 2.385 200 Y HA 0.522 5.065 4.550 -0.011 0.000 0.341 200 Y C -0.970 175.059 175.900 0.214 0.000 0.965 200 Y CA -1.123 57.170 58.100 0.323 0.000 1.180 200 Y CB 0.459 39.160 38.460 0.401 0.000 1.139 200 Y HN 0.310 nan 8.280 nan 0.000 0.502 201 V N 8.369 128.140 119.914 -0.238 0.000 2.385 201 V HA 0.406 4.519 4.120 -0.012 0.000 0.269 201 V C -0.059 175.665 176.094 -0.616 0.000 1.043 201 V CA -0.375 61.699 62.300 -0.377 0.000 0.906 201 V CB 0.482 32.077 31.823 -0.379 0.000 0.995 201 V HN 0.670 nan 8.190 nan 0.000 0.467 202 V N 3.118 122.729 119.914 -0.506 0.000 3.113 202 V HA 0.708 4.821 4.120 -0.012 0.000 0.316 202 V C -1.348 174.379 176.094 -0.612 0.000 1.125 202 V CA -1.001 61.044 62.300 -0.425 0.000 1.026 202 V CB 2.147 33.927 31.823 -0.073 0.000 1.080 202 V HN 0.579 nan 8.190 nan 0.000 0.444 203 Y N 1.098 121.356 120.300 -0.071 0.000 2.335 203 Y HA 0.733 5.277 4.550 -0.012 0.000 0.338 203 Y C 0.610 176.480 175.900 -0.050 0.000 0.977 203 Y CA -0.596 57.464 58.100 -0.067 0.000 1.114 203 Y CB 1.676 40.092 38.460 -0.073 0.000 1.182 203 Y HN 0.540 nan 8.280 nan 0.000 0.463 204 R N 1.563 122.102 120.500 0.064 0.000 2.787 204 R HA 0.836 5.169 4.340 -0.012 0.000 0.271 204 R C -0.716 175.560 176.300 -0.041 0.000 0.993 204 R CA -1.199 54.898 56.100 -0.006 0.000 0.993 204 R CB 1.860 32.159 30.300 -0.001 0.000 1.155 204 R HN 0.752 nan 8.270 nan 0.000 0.486 205 A N 1.390 124.131 122.820 -0.132 0.000 2.310 205 A HA 0.187 4.500 4.320 -0.012 0.000 0.299 205 A C -0.423 177.084 177.584 -0.127 0.000 1.147 205 A CA -0.394 51.570 52.037 -0.123 0.000 0.818 205 A CB 0.837 19.744 19.000 -0.154 0.000 1.096 205 A HN 0.683 nan 8.150 nan 0.000 0.495 206 Q N 2.048 121.784 119.800 -0.106 0.000 2.466 206 Q HA 0.284 4.617 4.340 -0.012 0.000 0.242 206 Q C 0.774 176.689 176.000 -0.141 0.000 1.046 206 Q CA 0.105 55.842 55.803 -0.109 0.000 0.841 206 Q CB 0.716 29.396 28.738 -0.096 0.000 1.193 206 Q HN 0.929 nan 8.270 nan 0.000 0.508 207 S N 1.858 117.490 115.700 -0.113 0.000 2.440 207 S HA -0.093 4.370 4.470 -0.012 0.000 0.238 207 S C 0.799 175.318 174.600 -0.134 0.000 1.010 207 S CA 1.182 59.329 58.200 -0.088 0.000 0.972 207 S CB -0.371 62.826 63.200 -0.004 0.000 0.774 207 S HN 0.699 nan 8.310 nan 0.000 0.501 208 T N -1.398 113.079 114.554 -0.128 0.000 2.893 208 T HA 0.707 5.050 4.350 -0.012 0.000 0.293 208 T C -1.537 173.093 174.700 -0.117 0.000 1.027 208 T CA -0.814 61.241 62.100 -0.075 0.000 0.988 208 T CB 2.294 71.218 68.868 0.094 0.000 1.043 208 T HN 0.075 nan 8.240 nan 0.000 0.461 209 D N 0.451 120.827 120.400 -0.039 0.000 2.583 209 D HA 0.602 5.235 4.640 -0.012 0.000 0.248 209 D C -0.448 175.934 176.300 0.136 0.000 1.209 209 D CA -0.452 53.547 54.000 -0.001 0.000 0.848 209 D CB 2.176 42.925 40.800 -0.086 0.000 1.431 209 D HN 0.948 nan 8.370 nan 0.000 0.436 210 A N 1.430 124.287 122.820 0.062 0.000 2.531 210 A HA 0.499 4.812 4.320 -0.012 0.000 0.236 210 A C -0.059 177.558 177.584 0.054 0.000 1.062 210 A CA 0.421 52.495 52.037 0.061 0.000 0.760 210 A CB -0.125 18.888 19.000 0.023 0.000 0.995 210 A HN 0.468 nan 8.150 nan 0.000 0.501 211 I N 1.220 121.851 120.570 0.103 0.000 2.722 211 I HA 0.455 4.618 4.170 -0.012 0.000 0.295 211 I C 0.065 176.348 176.117 0.276 0.000 1.161 211 I CA -0.444 60.913 61.300 0.095 0.000 1.032 211 I CB 2.916 40.970 38.000 0.090 0.000 1.244 211 I HN 0.812 nan 8.210 nan 0.000 0.421 212 T N 2.474 117.161 114.554 0.221 0.000 2.916 212 T HA 0.703 5.046 4.350 -0.012 0.000 0.292 212 T C -1.088 173.688 174.700 0.126 0.000 1.055 212 T CA -0.788 61.471 62.100 0.264 0.000 1.009 212 T CB 2.207 71.148 68.868 0.123 0.000 1.118 212 T HN 0.343 nan 8.240 nan 0.000 0.497 213 L N 2.151 123.375 121.223 0.001 0.000 2.294 213 L HA 0.471 4.804 4.340 -0.012 0.000 0.283 213 L C -0.414 176.332 176.870 -0.207 0.000 1.015 213 L CA -0.386 54.204 54.840 -0.417 0.000 0.831 213 L CB 0.891 42.525 42.059 -0.709 0.000 1.217 213 L HN 0.813 nan 8.230 nan 0.000 0.420 214 D N 7.128 127.414 120.400 -0.190 0.000 2.349 214 D HA 0.099 4.732 4.640 -0.012 0.000 0.266 214 D C -1.750 174.482 176.300 -0.113 0.000 1.293 214 D CA -1.574 52.364 54.000 -0.104 0.000 0.926 214 D CB 1.615 42.372 40.800 -0.071 0.000 1.090 214 D HN 0.411 nan 8.370 nan 0.000 0.502 215 P HA -0.203 nan 4.420 nan 0.000 0.216 215 P C 1.405 178.671 177.300 -0.058 0.000 1.157 215 P CA 1.055 64.117 63.100 -0.063 0.000 0.880 215 P CB 0.307 31.987 31.700 -0.032 0.000 0.791 216 K N -0.945 119.428 120.400 -0.045 0.000 2.032 216 K HA -0.125 4.188 4.320 -0.012 0.000 0.209 216 K C 2.174 178.750 176.600 -0.041 0.000 1.048 216 K CA 1.977 58.243 56.287 -0.035 0.000 0.927 216 K CB -1.164 31.320 32.500 -0.025 0.000 0.712 216 K HN 0.125 nan 8.250 nan 0.000 0.441 217 T N -1.628 112.896 114.554 -0.051 0.000 3.037 217 T HA 0.132 4.475 4.350 -0.012 0.000 0.251 217 T C 0.983 175.639 174.700 -0.074 0.000 1.079 217 T CA 1.255 63.325 62.100 -0.049 0.000 1.067 217 T CB -0.041 68.806 68.868 -0.035 0.000 0.948 217 T HN 0.489 nan 8.240 nan 0.000 0.496 218 G N 1.635 110.365 108.800 -0.117 0.000 2.189 218 G HA2 -0.203 3.750 3.960 -0.012 0.000 0.267 218 G HA3 -0.203 3.750 3.960 -0.012 0.000 0.267 218 G C 0.043 174.803 174.900 -0.233 0.000 0.975 218 G CA 0.348 45.347 45.100 -0.169 0.000 0.644 218 G HN 0.505 nan 8.290 nan 0.000 0.537 219 K N -0.266 120.028 120.400 -0.177 0.000 2.098 219 K HA 0.681 4.994 4.320 -0.012 0.000 0.258 219 K C 0.112 176.613 176.600 -0.165 0.000 0.973 219 K CA -0.890 55.330 56.287 -0.110 0.000 0.898 219 K CB 0.763 33.266 32.500 0.005 0.000 1.057 219 K HN 0.076 nan 8.250 nan 0.000 0.447 220 F N 0.227 120.176 119.950 -0.002 0.000 2.371 220 F HA 0.299 4.818 4.527 -0.012 0.000 0.329 220 F C 0.517 176.416 175.800 0.165 0.000 1.107 220 F CA -0.551 57.471 58.000 0.036 0.000 1.137 220 F CB 1.022 40.064 39.000 0.070 0.000 1.214 220 F HN -0.053 nan 8.300 nan 0.000 0.536 221 V N 1.656 121.704 119.914 0.222 0.000 2.577 221 V HA 0.339 4.452 4.120 -0.012 0.000 0.303 221 V C -0.658 175.296 176.094 -0.232 0.000 1.042 221 V CA -0.985 61.332 62.300 0.027 0.000 0.872 221 V CB 1.859 33.688 31.823 0.011 0.000 0.998 221 V HN 0.816 nan 8.190 nan 0.000 0.423 222 S N 3.644 118.982 115.700 -0.604 0.000 2.554 222 S HA 0.534 4.997 4.470 -0.012 0.000 0.278 222 S C -0.302 174.133 174.600 -0.275 0.000 1.242 222 S CA -0.730 57.059 58.200 -0.685 0.000 1.051 222 S CB 1.170 63.663 63.200 -1.179 0.000 0.986 222 S HN 0.728 nan 8.310 nan 0.000 0.502 223 K N 1.518 121.821 120.400 -0.163 0.000 2.447 223 K HA 0.034 4.347 4.320 -0.012 0.000 0.281 223 K C -0.784 175.771 176.600 -0.076 0.000 1.031 223 K CA -0.152 56.084 56.287 -0.084 0.000 1.019 223 K CB 0.075 32.547 32.500 -0.047 0.000 0.918 223 K HN 0.581 nan 8.250 nan 0.000 0.476 224 D N 3.446 123.813 120.400 -0.055 0.000 2.382 224 D HA 0.113 4.746 4.640 -0.012 0.000 0.245 224 D C -0.226 176.045 176.300 -0.048 0.000 1.120 224 D CA 0.264 54.238 54.000 -0.043 0.000 0.890 224 D CB 0.713 41.498 40.800 -0.026 0.000 1.201 224 D HN 0.297 nan 8.370 nan 0.000 0.433 225 R N 2.306 122.771 120.500 -0.059 0.000 2.409 225 R HA 0.316 4.649 4.340 -0.012 0.000 0.313 225 R C -0.209 176.017 176.300 -0.122 0.000 0.953 225 R CA -0.828 55.227 56.100 -0.075 0.000 0.849 225 R CB 1.186 31.445 30.300 -0.068 0.000 1.171 225 R HN 0.354 nan 8.270 nan 0.000 0.458 226 M N 3.126 122.648 119.600 -0.131 0.000 2.217 226 M HA 0.247 4.720 4.480 -0.012 0.000 0.354 226 M C 0.435 176.569 176.300 -0.278 0.000 1.225 226 M CA -0.539 54.639 55.300 -0.203 0.000 1.137 226 M CB 0.698 33.207 32.600 -0.152 0.000 1.576 226 M HN 0.362 nan 8.290 nan 0.000 0.461 227 V N 0.065 119.698 119.914 -0.469 0.000 2.962 227 V HA 1.009 5.122 4.120 -0.012 0.000 0.313 227 V C -0.514 175.268 176.094 -0.520 0.000 1.099 227 V CA -1.285 60.742 62.300 -0.455 0.000 0.971 227 V CB 1.598 33.138 31.823 -0.472 0.000 1.028 227 V HN 0.933 nan 8.190 nan 0.000 0.430 228 A N 2.422 125.074 122.820 -0.279 0.000 2.290 228 A HA 0.775 5.087 4.320 -0.012 0.000 0.310 228 A C -0.156 177.508 177.584 0.132 0.000 1.202 228 A CA -0.332 51.588 52.037 -0.195 0.000 0.837 228 A CB 0.385 19.321 19.000 -0.106 0.000 1.139 228 A HN 1.168 nan 8.150 nan 0.000 0.509 229 D N 0.986 121.530 120.400 0.241 0.000 2.433 229 D HA 0.148 4.781 4.640 -0.012 0.000 0.255 229 D C 0.814 177.106 176.300 -0.013 0.000 1.226 229 D CA -0.604 53.555 54.000 0.264 0.000 1.015 229 D CB 0.038 40.996 40.800 0.264 0.000 1.091 229 D HN 0.369 nan 8.370 nan 0.000 0.527 230 F N 0.158 119.740 119.950 -0.614 0.000 2.091 230 F HA -0.222 4.298 4.527 -0.013 0.000 0.299 230 F C 2.090 177.673 175.800 -0.361 0.000 1.103 230 F CA 1.675 59.113 58.000 -0.936 0.000 1.228 230 F CB 0.057 38.305 39.000 -1.253 0.000 0.984 230 F HN 0.182 nan 8.300 nan 0.000 0.477 231 E N -0.338 119.680 120.200 -0.303 0.000 2.051 231 E HA -0.275 4.068 4.350 -0.012 0.000 0.192 231 E C 2.070 178.540 176.600 -0.217 0.000 0.991 231 E CA 1.618 57.846 56.400 -0.286 0.000 0.799 231 E CB -1.013 28.650 29.700 -0.061 0.000 0.748 231 E HN 0.653 nan 8.360 nan 0.000 0.449 232 Y N 1.019 121.212 120.300 -0.179 0.000 2.145 232 Y HA -0.256 4.287 4.550 -0.012 0.000 0.286 232 Y C 2.285 178.098 175.900 -0.144 0.000 1.145 232 Y CA 1.901 59.935 58.100 -0.110 0.000 1.148 232 Y CB -0.188 38.258 38.460 -0.022 0.000 0.981 232 Y HN 0.051 nan 8.280 nan 0.000 0.507 233 A N -0.454 122.407 122.820 0.067 0.000 1.933 233 A HA -0.180 4.133 4.320 -0.012 0.000 0.218 233 A C 2.125 179.616 177.584 -0.155 0.000 1.175 233 A CA 2.188 54.239 52.037 0.024 0.000 0.628 233 A CB -1.435 17.640 19.000 0.127 0.000 0.814 233 A HN 0.501 nan 8.150 nan 0.000 0.444 234 V N -2.539 117.139 119.914 -0.393 0.000 3.306 234 V HA 0.018 4.131 4.120 -0.012 0.000 0.264 234 V C 1.637 177.572 176.094 -0.265 0.000 1.149 234 V CA 1.751 63.828 62.300 -0.371 0.000 1.143 234 V CB -1.149 30.316 31.823 -0.596 0.000 0.767 234 V HN 0.643 nan 8.190 nan 0.000 0.476 235 T N -3.162 111.232 114.554 -0.266 0.000 3.176 235 T HA 0.469 4.812 4.350 -0.012 0.000 0.263 235 T C 1.488 176.045 174.700 -0.238 0.000 1.021 235 T CA 0.463 62.427 62.100 -0.226 0.000 0.905 235 T CB 0.011 68.746 68.868 -0.221 0.000 1.057 235 T HN 1.416 nan 8.240 nan 0.000 0.558 236 G N 0.891 109.557 108.800 -0.224 0.000 2.233 236 G HA2 0.053 4.006 3.960 -0.012 0.000 0.270 236 G HA3 0.053 4.006 3.960 -0.012 0.000 0.270 236 G C 1.117 175.793 174.900 -0.374 0.000 1.011 236 G CA 0.408 45.385 45.100 -0.206 0.000 0.762 236 G HN 1.867 nan 8.290 nan 0.000 0.511 237 G N -1.382 106.981 108.800 -0.728 0.000 2.175 237 G HA2 -0.270 3.683 3.960 -0.012 0.000 0.244 237 G HA3 -0.270 3.683 3.960 -0.012 0.000 0.244 237 G C 0.799 175.267 174.900 -0.720 0.000 0.982 237 G CA 1.151 45.382 45.100 -1.448 0.000 0.641 237 G HN 0.742 nan 8.290 nan 0.000 0.527 238 E N -0.201 119.756 120.200 -0.405 0.000 2.208 238 E HA 0.033 4.376 4.350 -0.012 0.000 0.193 238 E C 1.475 177.969 176.600 -0.177 0.000 0.988 238 E CA 0.969 57.233 56.400 -0.226 0.000 0.828 238 E CB 0.105 29.712 29.700 -0.155 0.000 0.763 238 E HN 0.729 nan 8.360 nan 0.000 0.478 239 Q N -1.691 117.990 119.800 -0.198 0.000 3.022 239 Q HA 0.489 4.822 4.340 -0.012 0.000 0.313 239 Q C 0.082 176.065 176.000 -0.029 0.000 1.018 239 Q CA -0.406 55.341 55.803 -0.094 0.000 0.799 239 Q CB 2.046 30.735 28.738 -0.082 0.000 1.498 239 Q HN 0.165 nan 8.270 nan 0.000 0.494 240 G N 0.799 109.620 108.800 0.035 0.000 2.645 240 G HA2 -0.197 3.756 3.960 -0.012 0.000 0.246 240 G HA3 -0.197 3.756 3.960 -0.012 0.000 0.246 240 G C -0.536 174.511 174.900 0.245 0.000 1.322 240 G CA -0.135 45.035 45.100 0.116 0.000 0.898 240 G HN 1.093 nan 8.290 nan 0.000 0.573 241 S N -1.861 114.016 115.700 0.294 0.000 2.607 241 S HA 0.722 5.185 4.470 -0.012 0.000 0.273 241 S C -1.197 173.446 174.600 0.072 0.000 1.148 241 S CA -0.486 57.873 58.200 0.265 0.000 0.833 241 S CB 2.306 65.601 63.200 0.158 0.000 1.130 241 S HN 1.765 nan 8.310 nan 0.000 0.470 242 L N 2.549 123.724 121.223 -0.080 0.000 2.298 242 L HA 0.835 5.167 4.340 -0.012 0.000 0.284 242 L C -1.343 175.552 176.870 0.041 0.000 1.013 242 L CA -0.467 54.193 54.840 -0.299 0.000 0.824 242 L CB 0.543 42.334 42.059 -0.447 0.000 1.221 242 L HN 0.785 nan 8.230 nan 0.000 0.418 243 F N 3.119 122.990 119.950 -0.133 0.000 2.643 243 F HA 0.908 5.428 4.527 -0.012 0.000 0.314 243 F C -0.291 175.477 175.800 -0.052 0.000 1.096 243 F CA -1.448 56.511 58.000 -0.068 0.000 0.953 243 F CB 0.772 39.747 39.000 -0.041 0.000 1.345 243 F HN 0.519 nan 8.300 nan 0.000 0.468 244 A N 1.640 124.490 122.820 0.050 0.000 2.451 244 A HA 0.630 4.943 4.320 -0.012 0.000 0.266 244 A C 0.396 177.965 177.584 -0.025 0.000 1.119 244 A CA 0.055 52.074 52.037 -0.029 0.000 0.786 244 A CB -0.823 18.201 19.000 0.040 0.000 1.061 244 A HN 1.465 nan 8.150 nan 0.000 0.503 245 A N 2.695 125.430 122.820 -0.142 0.000 2.406 245 A HA 0.482 4.795 4.320 -0.012 0.000 0.243 245 A C 0.866 178.472 177.584 0.037 0.000 1.082 245 A CA 0.399 52.389 52.037 -0.079 0.000 0.786 245 A CB 0.107 19.039 19.000 -0.113 0.000 1.029 245 A HN 1.321 nan 8.150 nan 0.000 0.495 246 S N -0.259 115.488 115.700 0.078 0.000 2.430 246 S HA 0.293 4.755 4.470 -0.012 0.000 0.289 246 S C 0.648 175.319 174.600 0.117 0.000 1.143 246 S CA -0.541 57.718 58.200 0.099 0.000 1.067 246 S CB 0.171 63.432 63.200 0.103 0.000 0.964 246 S HN 0.600 nan 8.310 nan 0.000 0.485 247 K N 2.534 123.020 120.400 0.144 0.000 2.374 247 K HA 0.091 4.404 4.320 -0.012 0.000 0.196 247 K C 0.045 176.838 176.600 0.322 0.000 1.023 247 K CA -0.185 56.233 56.287 0.219 0.000 1.103 247 K CB 0.180 32.786 32.500 0.177 0.000 0.848 247 K HN 0.582 nan 8.250 nan 0.000 0.528 248 D N 0.897 121.448 120.400 0.250 0.000 2.487 248 D HA -0.050 4.583 4.640 -0.012 0.000 0.243 248 D C 0.343 176.722 176.300 0.132 0.000 1.154 248 D CA 0.137 54.259 54.000 0.204 0.000 0.876 248 D CB 1.177 42.055 40.800 0.130 0.000 1.161 248 D HN 0.211 nan 8.370 nan 0.000 0.478 249 A N 3.126 125.982 122.820 0.059 0.000 2.308 249 A HA 0.054 4.367 4.320 -0.012 0.000 0.217 249 A C 2.153 179.716 177.584 -0.035 0.000 1.216 249 A CA -0.005 52.041 52.037 0.016 0.000 0.864 249 A CB 0.109 19.104 19.000 -0.009 0.000 0.902 249 A HN 0.526 nan 8.150 nan 0.000 0.499 250 S N 1.169 116.851 115.700 -0.031 0.000 2.372 250 S HA -0.301 4.161 4.470 -0.012 0.000 0.227 250 S C 2.185 176.760 174.600 -0.042 0.000 1.044 250 S CA 1.993 60.168 58.200 -0.042 0.000 1.050 250 S CB -0.427 62.758 63.200 -0.024 0.000 0.901 250 S HN 0.878 nan 8.310 nan 0.000 0.447 251 R N 1.575 122.062 120.500 -0.023 0.000 2.154 251 R HA -0.131 4.202 4.340 -0.012 0.000 0.248 251 R C 1.932 178.199 176.300 -0.056 0.000 1.155 251 R CA 1.646 57.727 56.100 -0.033 0.000 0.979 251 R CB -1.058 29.242 30.300 0.000 0.000 0.869 251 R HN 0.368 nan 8.270 nan 0.000 0.452 252 L N 0.632 121.825 121.223 -0.050 0.000 2.187 252 L HA -0.140 4.193 4.340 -0.012 0.000 0.213 252 L C 2.596 179.442 176.870 -0.039 0.000 1.100 252 L CA 1.409 56.225 54.840 -0.041 0.000 0.765 252 L CB -0.582 41.320 42.059 -0.261 0.000 0.904 252 L HN 0.214 nan 8.230 nan 0.000 0.437 253 K N 1.135 121.495 120.400 -0.066 0.000 1.967 253 K HA -0.189 4.124 4.320 -0.012 0.000 0.212 253 K C 2.106 178.670 176.600 -0.061 0.000 1.044 253 K CA 1.851 58.104 56.287 -0.057 0.000 0.942 253 K CB -0.350 32.114 32.500 -0.059 0.000 0.726 253 K HN 0.368 nan 8.250 nan 0.000 0.440 254 E N 0.783 120.938 120.200 -0.075 0.000 2.085 254 E HA -0.271 4.072 4.350 -0.012 0.000 0.194 254 E C 2.023 178.539 176.600 -0.139 0.000 0.994 254 E CA 1.493 57.843 56.400 -0.085 0.000 0.801 254 E CB -0.486 29.169 29.700 -0.075 0.000 0.743 254 E HN 0.534 nan 8.360 nan 0.000 0.453 255 Q N -0.578 119.081 119.800 -0.236 0.000 2.079 255 Q HA -0.101 4.232 4.340 -0.012 0.000 0.200 255 Q C 0.918 176.563 176.000 -0.593 0.000 0.974 255 Q CA 1.618 57.115 55.803 -0.510 0.000 0.840 255 Q CB 0.001 28.226 28.738 -0.856 0.000 0.898 255 Q HN 0.436 nan 8.270 nan 0.000 0.430 256 Y N -2.095 118.209 120.300 0.006 0.000 2.588 256 Y HA 0.339 4.882 4.550 -0.012 0.000 0.247 256 Y C 0.977 176.877 175.900 0.000 0.000 1.157 256 Y CA 0.019 58.134 58.100 0.025 0.000 1.215 256 Y CB 1.025 39.519 38.460 0.057 0.000 1.245 256 Y HN 0.116 nan 8.280 nan 0.000 0.534 257 G N 1.533 110.375 108.800 0.069 0.000 2.249 257 G HA2 -0.311 3.642 3.960 -0.012 0.000 0.273 257 G HA3 -0.311 3.642 3.960 -0.012 0.000 0.273 257 G C -0.036 174.881 174.900 0.029 0.000 1.036 257 G CA 0.239 45.359 45.100 0.033 0.000 0.824 257 G HN 0.372 nan 8.290 nan 0.000 0.504 258 I N 0.458 121.043 120.570 0.024 0.000 2.353 258 I HA 0.210 4.373 4.170 -0.012 0.000 0.293 258 I C 0.243 176.319 176.117 -0.068 0.000 0.992 258 I CA -0.674 60.612 61.300 -0.024 0.000 1.268 258 I CB 1.194 39.152 38.000 -0.070 0.000 1.387 258 I HN 0.031 nan 8.210 nan 0.000 0.478 259 D N 5.991 126.343 120.400 -0.079 0.000 2.348 259 D HA 0.147 4.780 4.640 -0.012 0.000 0.253 259 D C -0.866 175.346 176.300 -0.147 0.000 1.161 259 D CA 0.022 53.960 54.000 -0.103 0.000 0.876 259 D CB 1.360 42.099 40.800 -0.103 0.000 1.160 259 D HN 0.080 nan 8.370 nan 0.000 0.459 260 V N 6.327 126.155 119.914 -0.145 0.000 2.313 260 V HA 0.254 4.367 4.120 -0.012 0.000 0.278 260 V C -1.889 174.097 176.094 -0.179 0.000 1.017 260 V CA -1.418 60.779 62.300 -0.172 0.000 0.823 260 V CB 1.121 32.863 31.823 -0.135 0.000 1.010 260 V HN 0.494 nan 8.190 nan 0.000 0.443 261 P HA 0.169 nan 4.420 nan 0.000 0.272 261 P C -0.396 176.865 177.300 -0.064 0.000 1.240 261 P CA -0.385 62.590 63.100 -0.210 0.000 0.791 261 P CB 0.477 31.927 31.700 -0.417 0.000 0.978 262 D N 0.006 120.395 120.400 -0.018 0.000 2.443 262 D HA 0.296 4.929 4.640 -0.012 0.000 0.239 262 D C 1.076 177.363 176.300 -0.022 0.000 1.136 262 D CA 1.214 55.211 54.000 -0.006 0.000 0.879 262 D CB -0.198 40.628 40.800 0.044 0.000 1.195 262 D HN 0.661 nan 8.370 nan 0.000 0.443 263 G N 2.187 110.865 108.800 -0.205 0.000 2.176 263 G HA2 -0.257 3.696 3.960 -0.012 0.000 0.252 263 G HA3 -0.257 3.696 3.960 -0.012 0.000 0.252 263 G C -0.167 174.194 174.900 -0.899 0.000 1.024 263 G CA -0.045 44.729 45.100 -0.544 0.000 0.755 263 G HN 0.363 nan 8.290 nan 0.000 0.507 264 F N -0.589 118.852 119.950 -0.849 0.000 2.495 264 F HA 0.816 5.335 4.527 -0.012 0.000 0.327 264 F C 0.321 175.664 175.800 -0.762 0.000 1.103 264 F CA -1.157 56.481 58.000 -0.603 0.000 0.949 264 F CB 1.362 40.162 39.000 -0.333 0.000 1.142 264 F HN -0.005 nan 8.300 nan 0.000 0.457 265 F N 0.506 120.420 119.950 -0.061 0.000 2.654 265 F HA 0.580 5.100 4.527 -0.012 0.000 0.334 265 F C -0.137 175.789 175.800 0.211 0.000 1.078 265 F CA -1.208 56.825 58.000 0.056 0.000 0.986 265 F CB 0.711 39.725 39.000 0.023 0.000 1.362 265 F HN 0.231 nan 8.300 nan 0.000 0.498 266 C N 1.137 120.701 119.300 0.439 0.000 2.539 266 C HA 0.275 4.728 4.460 -0.012 0.000 0.392 266 C C 0.340 175.548 174.990 0.363 0.000 1.269 266 C CA -0.746 58.494 59.018 0.370 0.000 2.250 266 C CB -0.133 27.784 27.740 0.295 0.000 2.584 266 C HN 0.663 nan 8.230 nan 0.000 0.589 267 E N 1.177 121.527 120.200 0.249 0.000 2.404 267 E HA 0.119 4.461 4.350 -0.012 0.000 0.261 267 E C 0.237 176.846 176.600 0.014 0.000 1.074 267 E CA -0.103 56.328 56.400 0.051 0.000 0.917 267 E CB 0.538 30.243 29.700 0.008 0.000 0.965 267 E HN 0.503 nan 8.360 nan 0.000 0.433 268 R N 2.715 123.164 120.500 -0.085 0.000 2.442 268 R HA 0.115 4.448 4.340 -0.012 0.000 0.291 268 R C -0.433 175.842 176.300 -0.042 0.000 1.069 268 R CA -0.061 56.005 56.100 -0.057 0.000 1.022 268 R CB 0.566 30.813 30.300 -0.089 0.000 0.976 268 R HN 0.435 nan 8.270 nan 0.000 0.443 269 R N 3.799 124.290 120.500 -0.015 0.000 2.637 269 R HA 0.420 4.753 4.340 -0.012 0.000 0.291 269 R C -0.391 175.937 176.300 0.046 0.000 0.963 269 R CA -0.929 55.181 56.100 0.017 0.000 0.901 269 R CB 2.101 32.419 30.300 0.030 0.000 1.160 269 R HN 0.613 nan 8.270 nan 0.000 0.457 270 R N 0.338 120.881 120.500 0.073 0.000 2.803 270 R HA 0.301 4.633 4.340 -0.012 0.000 0.276 270 R C -0.287 176.071 176.300 0.097 0.000 0.978 270 R CA -0.606 55.534 56.100 0.067 0.000 0.939 270 R CB 2.294 32.599 30.300 0.009 0.000 1.179 270 R HN 0.699 nan 8.270 nan 0.000 0.472 271 T N -0.744 113.829 114.554 0.031 0.000 2.913 271 T HA 0.625 4.967 4.350 -0.012 0.000 0.297 271 T C -0.064 174.540 174.700 -0.159 0.000 1.029 271 T CA -0.689 61.305 62.100 -0.176 0.000 1.104 271 T CB 1.537 70.297 68.868 -0.180 0.000 0.964 271 T HN 0.591 nan 8.240 nan 0.000 0.532 272 A N 3.710 126.400 122.820 -0.218 0.000 2.475 272 A HA 0.770 5.082 4.320 -0.012 0.000 0.301 272 A C -0.442 177.067 177.584 -0.125 0.000 1.059 272 A CA -1.146 50.823 52.037 -0.114 0.000 0.710 272 A CB 1.538 20.513 19.000 -0.041 0.000 1.288 272 A HN 0.870 nan 8.150 nan 0.000 0.408 273 M N 1.744 121.302 119.600 -0.070 0.000 2.393 273 M HA 0.498 4.971 4.480 -0.012 0.000 0.316 273 M C 0.112 176.498 176.300 0.143 0.000 1.087 273 M CA -0.401 54.901 55.300 0.003 0.000 0.937 273 M CB 2.098 34.603 32.600 -0.158 0.000 1.668 273 M HN 0.861 nan 8.290 nan 0.000 0.438 274 G N 1.230 110.195 108.800 0.275 0.000 2.370 274 G HA2 0.620 4.573 3.960 -0.012 0.000 0.317 274 G HA3 0.620 4.573 3.960 -0.012 0.000 0.317 274 G C -0.095 174.991 174.900 0.311 0.000 1.162 274 G CA -0.480 44.778 45.100 0.263 0.000 0.922 274 G HN 0.872 nan 8.290 nan 0.000 0.454 275 G N 2.385 111.356 108.800 0.284 0.000 2.507 275 G HA2 0.604 4.557 3.960 -0.012 0.000 0.271 275 G HA3 0.604 4.557 3.960 -0.012 0.000 0.271 275 G C -2.237 172.622 174.900 -0.068 0.000 1.189 275 G CA -1.222 43.909 45.100 0.051 0.000 0.859 275 G HN 0.485 nan 8.290 nan 0.000 0.542 276 P HA -0.015 nan 4.420 nan 0.000 0.264 276 P C 0.415 177.715 177.300 -0.000 0.000 1.229 276 P CA -0.306 62.718 63.100 -0.125 0.000 0.780 276 P CB 0.786 32.399 31.700 -0.144 0.000 0.808 277 F N 5.164 125.049 119.950 -0.109 0.000 2.154 277 F HA -0.225 4.294 4.527 -0.013 0.000 0.301 277 F C 2.240 178.024 175.800 -0.026 0.000 1.087 277 F CA 1.911 59.879 58.000 -0.053 0.000 1.274 277 F CB -0.827 38.146 39.000 -0.046 0.000 1.009 277 F HN 0.395 nan 8.300 nan 0.000 0.485 278 A N -0.352 122.401 122.820 -0.112 0.000 2.019 278 A HA -0.139 4.174 4.320 -0.012 0.000 0.219 278 A C 2.081 179.561 177.584 -0.173 0.000 1.164 278 A CA 1.649 53.574 52.037 -0.186 0.000 0.644 278 A CB -0.988 17.985 19.000 -0.045 0.000 0.805 278 A HN 0.459 nan 8.150 nan 0.000 0.449 279 L N -0.334 120.823 121.223 -0.110 0.000 2.162 279 L HA 0.048 4.380 4.340 -0.012 0.000 0.205 279 L C 1.656 178.478 176.870 -0.081 0.000 1.086 279 L CA 1.907 56.703 54.840 -0.073 0.000 0.778 279 L CB -0.675 41.345 42.059 -0.064 0.000 0.928 279 L HN 0.249 nan 8.230 nan 0.000 0.446 280 N N 0.282 118.926 118.700 -0.093 0.000 2.188 280 N HA -0.076 4.657 4.740 -0.012 0.000 0.184 280 N C 1.870 177.336 175.510 -0.074 0.000 1.018 280 N CA 1.359 54.394 53.050 -0.025 0.000 0.858 280 N CB -0.408 38.133 38.487 0.089 0.000 0.989 280 N HN 0.498 nan 8.380 nan 0.000 0.426 281 A N 1.502 124.119 122.820 -0.339 0.000 1.873 281 A HA -0.119 4.193 4.320 -0.012 0.000 0.218 281 A C -0.261 177.225 177.584 -0.163 0.000 1.193 281 A CA 1.645 53.455 52.037 -0.379 0.000 0.629 281 A CB -1.653 16.944 19.000 -0.671 0.000 0.826 281 A HN 0.236 nan 8.150 nan 0.000 0.447 282 P HA -0.104 nan 4.420 nan 0.000 0.218 282 P C 1.293 178.918 177.300 0.542 0.000 1.148 282 P CA 0.957 64.088 63.100 0.050 0.000 0.822 282 P CB -0.117 31.725 31.700 0.238 0.000 0.784 283 I N -1.979 118.822 120.570 0.384 0.000 2.333 283 I HA -0.148 4.015 4.170 -0.012 0.000 0.246 283 I C 2.303 178.706 176.117 0.476 0.000 1.106 283 I CA 1.320 62.949 61.300 0.549 0.000 1.411 283 I CB -0.516 37.674 38.000 0.318 0.000 1.082 283 I HN -0.132 nan 8.210 nan 0.000 0.420 284 M N 0.484 120.251 119.600 0.279 0.000 2.229 284 M HA -0.129 4.344 4.480 -0.012 0.000 0.264 284 M C 2.408 178.839 176.300 0.217 0.000 1.063 284 M CA 1.689 57.123 55.300 0.225 0.000 1.114 284 M CB -0.441 32.261 32.600 0.170 0.000 1.387 284 M HN 0.263 nan 8.290 nan 0.000 0.420 285 A N -0.431 122.523 122.820 0.223 0.000 2.070 285 A HA -0.056 4.256 4.320 -0.012 0.000 0.220 285 A C 2.168 179.908 177.584 0.261 0.000 1.159 285 A CA 1.388 53.559 52.037 0.225 0.000 0.656 285 A CB -0.608 18.508 19.000 0.193 0.000 0.800 285 A HN 0.329 nan 8.150 nan 0.000 0.453 286 V N -1.156 118.947 119.914 0.315 0.000 2.672 286 V HA 0.001 4.114 4.120 -0.012 0.000 0.242 286 V C 2.915 179.086 176.094 0.129 0.000 1.059 286 V CA 1.187 63.594 62.300 0.178 0.000 1.081 286 V CB -0.764 31.143 31.823 0.140 0.000 0.752 286 V HN 0.538 nan 8.190 nan 0.000 0.472 287 A N -0.081 122.869 122.820 0.216 0.000 1.908 287 A HA -0.322 3.991 4.320 -0.012 0.000 0.218 287 A C 2.140 179.733 177.584 0.015 0.000 1.181 287 A CA 2.434 54.543 52.037 0.120 0.000 0.627 287 A CB -0.549 18.568 19.000 0.195 0.000 0.818 287 A HN 0.509 nan 8.150 nan 0.000 0.445 288 Q N 0.105 119.937 119.800 0.053 0.000 2.050 288 Q HA -0.071 4.262 4.340 -0.012 0.000 0.202 288 Q C -0.691 175.286 176.000 -0.038 0.000 0.980 288 Q CA 2.285 58.100 55.803 0.021 0.000 0.840 288 Q CB -1.325 27.448 28.738 0.058 0.000 0.898 288 Q HN 0.448 nan 8.270 nan 0.000 0.424 289 P HA -0.126 nan 4.420 nan 0.000 0.216 289 P C 1.230 178.443 177.300 -0.145 0.000 1.150 289 P CA 1.147 64.205 63.100 -0.070 0.000 0.837 289 P CB -0.009 31.662 31.700 -0.049 0.000 0.786 290 V N -0.052 119.736 119.914 -0.210 0.000 2.295 290 V HA -0.246 3.866 4.120 -0.012 0.000 0.246 290 V C 2.466 178.341 176.094 -0.364 0.000 1.049 290 V CA 1.795 63.880 62.300 -0.359 0.000 1.024 290 V CB -0.952 30.523 31.823 -0.580 0.000 0.648 290 V HN 0.086 nan 8.190 nan 0.000 0.447 291 R N 0.271 120.565 120.500 -0.344 0.000 2.083 291 R HA -0.161 4.172 4.340 -0.012 0.000 0.237 291 R C 2.251 178.282 176.300 -0.448 0.000 1.137 291 R CA 1.701 57.477 56.100 -0.540 0.000 0.951 291 R CB -0.575 29.543 30.300 -0.304 0.000 0.851 291 R HN 0.526 nan 8.270 nan 0.000 0.434 292 N N 1.027 119.612 118.700 -0.192 0.000 2.104 292 N HA -0.205 4.528 4.740 -0.012 0.000 0.190 292 N C 1.615 177.054 175.510 -0.118 0.000 1.024 292 N CA 1.274 54.264 53.050 -0.100 0.000 0.853 292 N CB -0.184 38.262 38.487 -0.068 0.000 1.008 292 N HN 0.283 nan 8.380 nan 0.000 0.424 293 K N 1.274 121.586 120.400 -0.146 0.000 2.001 293 K HA -0.051 4.262 4.320 -0.012 0.000 0.208 293 K C 2.160 178.713 176.600 -0.080 0.000 1.048 293 K CA 1.126 57.350 56.287 -0.105 0.000 0.932 293 K CB -0.151 32.300 32.500 -0.081 0.000 0.715 293 K HN 0.277 nan 8.250 nan 0.000 0.437 294 I N -1.732 118.756 120.570 -0.136 0.000 2.493 294 I HA -0.182 3.981 4.170 -0.012 0.000 0.254 294 I C 1.306 177.485 176.117 0.104 0.000 1.160 294 I CA 1.087 62.396 61.300 0.015 0.000 1.445 294 I CB -0.448 37.358 38.000 -0.323 0.000 1.086 294 I HN 0.053 nan 8.210 nan 0.000 0.433 295 Y N 2.122 122.401 120.300 -0.034 0.000 2.516 295 Y HA -0.026 4.517 4.550 -0.012 0.000 0.291 295 Y C 2.881 178.702 175.900 -0.132 0.000 1.131 295 Y CA 0.287 58.316 58.100 -0.118 0.000 1.281 295 Y CB -0.749 37.510 38.460 -0.335 0.000 1.013 295 Y HN 0.472 nan 8.280 nan 0.000 0.554 296 S N -0.440 115.279 115.700 0.031 0.000 2.440 296 S HA -0.036 4.427 4.470 -0.012 0.000 0.194 296 S C 2.000 176.570 174.600 -0.049 0.000 0.952 296 S CA 0.400 58.591 58.200 -0.015 0.000 0.898 296 S CB -0.545 62.626 63.200 -0.049 0.000 0.875 296 S HN 0.193 nan 8.310 nan 0.000 0.581 297 K N 0.237 120.541 120.400 -0.161 0.000 2.113 297 K HA -0.119 4.194 4.320 -0.012 0.000 0.208 297 K C 0.342 176.664 176.600 -0.463 0.000 1.047 297 K CA 1.447 57.508 56.287 -0.377 0.000 0.928 297 K CB -0.233 31.892 32.500 -0.624 0.000 0.716 297 K HN 0.569 nan 8.250 nan 0.000 0.446 298 Y N -0.579 119.792 120.300 0.119 0.000 2.751 298 Y HA 0.360 4.903 4.550 -0.012 0.000 0.289 298 Y C 1.149 177.110 175.900 0.101 0.000 1.110 298 Y CA -0.348 57.827 58.100 0.124 0.000 1.251 298 Y CB 0.138 38.718 38.460 0.200 0.000 1.178 298 Y HN 0.073 nan 8.280 nan 0.000 0.540 299 A N -0.352 122.582 122.820 0.190 0.000 1.948 299 A HA -0.312 4.001 4.320 -0.012 0.000 0.220 299 A C 1.937 179.577 177.584 0.094 0.000 1.177 299 A CA 1.920 54.065 52.037 0.180 0.000 0.636 299 A CB -0.936 18.161 19.000 0.161 0.000 0.815 299 A HN 0.634 nan 8.150 nan 0.000 0.449 300 Y N 0.990 121.287 120.300 -0.005 0.000 2.114 300 Y HA -0.226 4.317 4.550 -0.012 0.000 0.282 300 Y C 2.614 178.474 175.900 -0.067 0.000 1.165 300 Y CA 2.477 60.557 58.100 -0.033 0.000 1.148 300 Y CB -0.521 37.909 38.460 -0.050 0.000 0.972 300 Y HN 0.309 nan 8.280 nan 0.000 0.504 301 T N -0.528 114.021 114.554 -0.009 0.000 2.976 301 T HA 0.006 4.349 4.350 -0.012 0.000 0.257 301 T C 1.254 175.780 174.700 -0.290 0.000 1.051 301 T CA 1.291 63.202 62.100 -0.315 0.000 1.141 301 T CB -0.281 68.030 68.868 -0.927 0.000 0.881 301 T HN 0.321 nan 8.240 nan 0.000 0.461 302 F N -0.559 119.455 119.950 0.107 0.000 2.717 302 F HA 0.290 4.811 4.527 -0.011 0.000 0.297 302 F C 1.132 176.824 175.800 -0.180 0.000 1.113 302 F CA -0.432 57.651 58.000 0.137 0.000 1.319 302 F CB 0.340 39.416 39.000 0.126 0.000 1.097 302 F HN 0.166 nan 8.300 nan 0.000 0.595 303 H N 1.846 120.654 119.070 -0.436 0.000 2.597 303 H HA 0.247 4.796 4.556 -0.012 0.000 0.303 303 H C -0.832 174.021 175.328 -0.791 0.000 1.057 303 H CA -0.530 55.190 56.048 -0.547 0.000 1.261 303 H CB 0.185 29.819 29.762 -0.213 0.000 1.397 303 H HN 0.052 nan 8.280 nan 0.000 0.461 304 H N 4.157 123.186 119.070 -0.069 0.000 2.658 304 H HA 0.121 4.670 4.556 -0.012 0.000 0.337 304 H C 0.390 175.639 175.328 -0.131 0.000 1.009 304 H CA -0.452 55.513 56.048 -0.139 0.000 1.231 304 H CB 2.042 31.791 29.762 -0.021 0.000 1.508 304 H HN 0.753 nan 8.280 nan 0.000 0.517 305 T N -0.349 114.148 114.554 -0.094 0.000 3.479 305 T HA 0.078 4.421 4.350 -0.012 0.000 0.197 305 T C 1.021 175.791 174.700 0.117 0.000 0.912 305 T CA 0.482 62.603 62.100 0.035 0.000 1.281 305 T CB -0.280 68.473 68.868 -0.192 0.000 1.588 305 T HN 0.528 nan 8.240 nan 0.000 0.389 306 T N 0.400 114.934 114.554 -0.033 0.000 2.847 306 T HA 0.394 4.737 4.350 -0.012 0.000 0.279 306 T C 1.299 175.946 174.700 -0.090 0.000 0.984 306 T CA -0.604 61.474 62.100 -0.038 0.000 0.988 306 T CB 1.306 70.127 68.868 -0.077 0.000 1.040 306 T HN 0.653 nan 8.240 nan 0.000 0.528 307 R N -0.011 120.436 120.500 -0.088 0.000 2.189 307 R HA 0.058 4.390 4.340 -0.012 0.000 0.223 307 R C 1.642 177.921 176.300 -0.035 0.000 1.092 307 R CA 0.647 56.681 56.100 -0.112 0.000 0.989 307 R CB -0.696 29.588 30.300 -0.027 0.000 0.876 307 R HN 0.433 nan 8.270 nan 0.000 0.457 308 L N 1.641 122.841 121.223 -0.038 0.000 2.209 308 L HA 0.000 4.333 4.340 -0.012 0.000 0.207 308 L C 2.176 179.017 176.870 -0.050 0.000 1.094 308 L CA 1.501 56.327 54.840 -0.022 0.000 0.790 308 L CB -0.782 41.253 42.059 -0.039 0.000 0.932 308 L HN 0.276 nan 8.230 nan 0.000 0.447 309 N N 0.198 118.846 118.700 -0.087 0.000 2.043 309 N HA -0.243 4.490 4.740 -0.012 0.000 0.193 309 N C 1.753 177.189 175.510 -0.123 0.000 1.037 309 N CA 1.777 54.759 53.050 -0.114 0.000 0.851 309 N CB 0.032 38.433 38.487 -0.143 0.000 1.027 309 N HN 0.229 nan 8.380 nan 0.000 0.422 310 K N 0.020 120.331 120.400 -0.149 0.000 2.026 310 K HA -0.151 4.161 4.320 -0.012 0.000 0.208 310 K C 2.079 178.683 176.600 0.006 0.000 1.048 310 K CA 1.372 57.540 56.287 -0.199 0.000 0.929 310 K CB -0.235 31.861 32.500 -0.674 0.000 0.713 310 K HN 0.361 nan 8.250 nan 0.000 0.439 311 E N 1.461 121.772 120.200 0.184 0.000 2.070 311 E HA -0.256 4.087 4.350 -0.012 0.000 0.197 311 E C 1.772 178.337 176.600 -0.058 0.000 1.004 311 E CA 1.546 58.051 56.400 0.176 0.000 0.805 311 E CB 0.110 29.891 29.700 0.135 0.000 0.744 311 E HN 0.268 nan 8.360 nan 0.000 0.451 312 E N 0.264 120.421 120.200 -0.072 0.000 2.070 312 E HA -0.243 4.100 4.350 -0.012 0.000 0.197 312 E C 2.112 178.625 176.600 -0.145 0.000 1.004 312 E CA 1.654 58.000 56.400 -0.090 0.000 0.805 312 E CB 0.005 29.664 29.700 -0.067 0.000 0.744 312 E HN 0.210 nan 8.360 nan 0.000 0.451 313 K N 0.202 120.464 120.400 -0.229 0.000 2.002 313 K HA -0.107 4.206 4.320 -0.012 0.000 0.209 313 K C 2.179 178.366 176.600 -0.688 0.000 1.048 313 K CA 1.345 57.424 56.287 -0.348 0.000 0.930 313 K CB -0.175 32.001 32.500 -0.541 0.000 0.714 313 K HN -0.018 nan 8.250 nan 0.000 0.438 314 V N 2.931 122.330 119.914 -0.858 0.000 2.626 314 V HA -0.226 3.887 4.120 -0.012 0.000 0.252 314 V C 2.109 177.805 176.094 -0.664 0.000 1.067 314 V CA 1.757 63.300 62.300 -1.262 0.000 1.081 314 V CB -0.648 30.692 31.823 -0.804 0.000 0.686 314 V HN 0.414 nan 8.190 nan 0.000 0.468 315 K N 0.502 120.684 120.400 -0.363 0.000 2.365 315 K HA -0.103 4.210 4.320 -0.012 0.000 0.199 315 K C 1.441 178.006 176.600 -0.058 0.000 1.045 315 K CA 1.334 57.516 56.287 -0.174 0.000 0.962 315 K CB -0.213 32.213 32.500 -0.124 0.000 0.759 315 K HN 0.483 nan 8.250 nan 0.000 0.469 316 E N 0.167 120.333 120.200 -0.056 0.000 2.502 316 E HA -0.019 4.324 4.350 -0.012 0.000 0.194 316 E C -0.383 176.415 176.600 0.330 0.000 1.062 316 E CA -0.062 56.414 56.400 0.127 0.000 0.867 316 E CB 0.137 29.941 29.700 0.173 0.000 0.888 316 E HN 0.272 nan 8.360 nan 0.000 0.510 317 W N 0.535 121.879 121.300 0.072 0.000 2.381 317 W HA 0.193 4.845 4.660 -0.012 0.000 0.329 317 W C 1.224 177.807 176.519 0.106 0.000 1.157 317 W CA -1.303 56.099 57.345 0.095 0.000 1.240 317 W CB 0.863 30.377 29.460 0.091 0.000 1.199 317 W HN -0.190 nan 8.180 nan 0.000 0.579 318 S N 0.905 116.816 115.700 0.352 0.000 2.478 318 S HA 0.086 4.549 4.470 -0.012 0.000 0.222 318 S C 0.046 174.799 174.600 0.255 0.000 1.008 318 S CA 0.201 58.556 58.200 0.258 0.000 0.928 318 S CB 0.070 63.400 63.200 0.217 0.000 0.781 318 S HN 0.276 nan 8.310 nan 0.000 0.518 319 L N 0.359 121.756 121.223 0.291 0.000 2.482 319 L HA 0.634 4.967 4.340 -0.012 0.000 0.263 319 L C -1.761 175.320 176.870 0.352 0.000 0.957 319 L CA -0.647 54.312 54.840 0.198 0.000 0.836 319 L CB 1.805 43.799 42.059 -0.109 0.000 1.324 319 L HN 0.083 nan 8.230 nan 0.000 0.406 320 C N 5.108 124.578 119.300 0.284 0.000 2.381 320 C HA 0.854 5.307 4.460 -0.012 0.000 0.328 320 C C -1.022 174.001 174.990 0.054 0.000 1.190 320 C CA -0.414 58.830 59.018 0.376 0.000 1.369 320 C CB 0.660 28.675 27.740 0.458 0.000 2.029 320 C HN 0.619 nan 8.230 nan 0.000 0.448 321 V N 6.232 126.169 119.914 0.040 0.000 2.357 321 V HA 0.638 4.751 4.120 -0.012 0.000 0.284 321 V C 0.667 176.761 176.094 -0.001 0.000 1.018 321 V CA -0.231 61.954 62.300 -0.192 0.000 0.841 321 V CB 1.379 33.113 31.823 -0.148 0.000 0.991 321 V HN 1.074 nan 8.190 nan 0.000 0.437 322 A N 4.217 127.067 122.820 0.051 0.000 2.343 322 A HA 0.624 4.937 4.320 -0.012 0.000 0.305 322 A C 0.697 178.378 177.584 0.162 0.000 1.308 322 A CA -0.237 51.879 52.037 0.132 0.000 0.949 322 A CB -0.104 19.021 19.000 0.208 0.000 1.148 322 A HN 0.901 nan 8.150 nan 0.000 0.545 323 T N -0.219 114.394 114.554 0.099 0.000 2.881 323 T HA 0.631 4.973 4.350 -0.012 0.000 0.278 323 T C -0.667 174.141 174.700 0.180 0.000 0.982 323 T CA -0.574 61.618 62.100 0.153 0.000 0.989 323 T CB 1.428 70.365 68.868 0.116 0.000 1.058 323 T HN 0.426 nan 8.240 nan 0.000 0.529 324 D N -0.486 120.036 120.400 0.204 0.000 2.879 324 D HA 0.551 5.184 4.640 -0.012 0.000 0.236 324 D C -1.328 175.101 176.300 0.214 0.000 1.171 324 D CA -0.440 53.668 54.000 0.181 0.000 0.868 324 D CB 2.171 43.034 40.800 0.105 0.000 1.598 324 D HN 0.518 nan 8.370 nan 0.000 0.497 325 V N 1.555 121.605 119.914 0.226 0.000 2.495 325 V HA 0.503 4.616 4.120 -0.012 0.000 0.298 325 V C 0.211 176.430 176.094 0.208 0.000 1.031 325 V CA -0.947 61.495 62.300 0.235 0.000 0.871 325 V CB 1.660 33.668 31.823 0.308 0.000 0.988 325 V HN 0.569 nan 8.190 nan 0.000 0.432 326 S N 3.200 119.008 115.700 0.180 0.000 2.499 326 S HA 0.257 4.720 4.470 -0.012 0.000 0.275 326 S C 0.417 175.233 174.600 0.359 0.000 1.257 326 S CA -0.144 58.187 58.200 0.218 0.000 1.050 326 S CB -0.026 63.289 63.200 0.190 0.000 0.937 326 S HN 0.974 nan 8.310 nan 0.000 0.490 327 D N 3.042 123.621 120.400 0.299 0.000 2.740 327 D HA -0.240 4.392 4.640 -0.012 0.000 0.231 327 D C 0.915 177.432 176.300 0.361 0.000 1.194 327 D CA 1.047 55.215 54.000 0.279 0.000 0.673 327 D CB -1.251 39.669 40.800 0.200 0.000 0.995 327 D HN 0.898 nan 8.370 nan 0.000 0.411 328 H N 0.467 119.687 119.070 0.250 0.000 2.289 328 H HA -0.185 4.364 4.556 -0.012 0.000 0.294 328 H C 1.146 176.623 175.328 0.249 0.000 1.095 328 H CA 2.273 58.478 56.048 0.261 0.000 1.256 328 H CB 0.331 30.215 29.762 0.203 0.000 1.359 328 H HN 0.330 nan 8.280 nan 0.000 0.487 329 D N -0.437 120.074 120.400 0.185 0.000 2.117 329 D HA -0.120 4.513 4.640 -0.012 0.000 0.197 329 D C 2.297 178.598 176.300 0.002 0.000 0.987 329 D CA 2.289 56.323 54.000 0.057 0.000 0.829 329 D CB -0.571 40.264 40.800 0.059 0.000 0.961 329 D HN 0.640 nan 8.370 nan 0.000 0.460 330 T N -2.614 111.936 114.554 -0.007 0.000 3.055 330 T HA -0.007 4.336 4.350 -0.012 0.000 0.265 330 T C 1.802 176.448 174.700 -0.090 0.000 1.111 330 T CA 0.296 62.348 62.100 -0.080 0.000 1.118 330 T CB -0.517 68.257 68.868 -0.157 0.000 0.909 330 T HN 0.074 nan 8.240 nan 0.000 0.501 331 F N -0.414 119.538 119.950 0.004 0.000 2.754 331 F HA 0.367 4.887 4.527 -0.012 0.000 0.297 331 F C 0.816 176.588 175.800 -0.048 0.000 1.122 331 F CA -1.582 56.414 58.000 -0.006 0.000 1.400 331 F CB 0.055 39.057 39.000 0.002 0.000 1.117 331 F HN 0.162 nan 8.300 nan 0.000 0.587 332 W N 5.543 126.768 121.300 -0.125 0.000 2.435 332 W HA 0.019 4.672 4.660 -0.012 0.000 0.337 332 W C -2.224 174.151 176.519 -0.239 0.000 1.300 332 W CA -1.709 55.481 57.345 -0.259 0.000 1.298 332 W CB 0.149 29.426 29.460 -0.305 0.000 1.217 332 W HN -0.176 nan 8.180 nan 0.000 0.565 333 P HA 0.092 nan 4.420 nan 0.000 0.282 333 P C 0.618 177.334 177.300 -0.973 0.000 1.274 333 P CA 0.214 62.748 63.100 -0.942 0.000 0.770 333 P CB 1.262 32.026 31.700 -1.561 0.000 0.867 334 G N 4.142 112.733 108.800 -0.348 0.000 2.462 334 G HA2 -0.234 3.719 3.960 -0.012 0.000 0.220 334 G HA3 -0.234 3.719 3.960 -0.012 0.000 0.220 334 G C 1.256 176.045 174.900 -0.185 0.000 1.121 334 G CA 0.006 45.020 45.100 -0.143 0.000 0.758 334 G HN 0.694 nan 8.290 nan 0.000 0.559 335 W N 0.240 121.419 121.300 -0.201 0.000 2.374 335 W HA 0.026 4.679 4.660 -0.012 0.000 0.288 335 W C 1.705 178.054 176.519 -0.284 0.000 1.218 335 W CA 0.509 57.738 57.345 -0.193 0.000 1.245 335 W CB -0.983 28.373 29.460 -0.174 0.000 1.126 335 W HN 0.181 nan 8.180 nan 0.000 0.545 336 L N 2.281 122.985 121.223 -0.865 0.000 2.093 336 L HA -0.091 4.242 4.340 -0.012 0.000 0.208 336 L C 3.071 179.753 176.870 -0.313 0.000 1.085 336 L CA 2.141 56.500 54.840 -0.802 0.000 0.755 336 L CB -0.927 40.237 42.059 -1.493 0.000 0.904 336 L HN -0.035 nan 8.230 nan 0.000 0.435 337 R N -0.397 119.973 120.500 -0.216 0.000 2.083 337 R HA -0.199 4.134 4.340 -0.012 0.000 0.237 337 R C 1.696 178.065 176.300 0.114 0.000 1.137 337 R CA 2.155 58.363 56.100 0.180 0.000 0.951 337 R CB -0.584 29.876 30.300 0.266 0.000 0.851 337 R HN 0.437 nan 8.270 nan 0.000 0.434 338 D N 0.894 121.332 120.400 0.064 0.000 2.178 338 D HA -0.162 4.471 4.640 -0.012 0.000 0.202 338 D C 1.984 178.322 176.300 0.063 0.000 0.974 338 D CA 0.910 54.955 54.000 0.076 0.000 0.841 338 D CB -0.192 40.656 40.800 0.080 0.000 0.953 338 D HN 0.313 nan 8.370 nan 0.000 0.478 339 L N 0.628 121.888 121.223 0.061 0.000 2.027 339 L HA -0.126 4.207 4.340 -0.012 0.000 0.206 339 L C 2.341 179.226 176.870 0.025 0.000 1.074 339 L CA 1.011 55.884 54.840 0.056 0.000 0.745 339 L CB -0.166 41.943 42.059 0.084 0.000 0.898 339 L HN -0.096 nan 8.230 nan 0.000 0.433 340 I N -0.673 119.908 120.570 0.019 0.000 2.163 340 I HA -0.403 3.759 4.170 -0.012 0.000 0.243 340 I C 2.651 178.700 176.117 -0.113 0.000 1.085 340 I CA 1.532 62.811 61.300 -0.035 0.000 1.347 340 I CB -0.507 37.514 38.000 0.035 0.000 1.044 340 I HN 0.458 nan 8.210 nan 0.000 0.408 341 C N 0.429 119.716 119.300 -0.021 0.000 2.432 341 C HA -0.215 4.238 4.460 -0.012 0.000 0.277 341 C C 2.614 177.578 174.990 -0.042 0.000 1.249 341 C CA 1.409 60.409 59.018 -0.031 0.000 1.725 341 C CB -1.047 26.735 27.740 0.069 0.000 2.028 341 C HN 0.582 nan 8.230 nan 0.000 0.477 342 D N 0.466 120.862 120.400 -0.008 0.000 2.104 342 D HA -0.186 4.447 4.640 -0.012 0.000 0.194 342 D C 2.078 178.365 176.300 -0.021 0.000 0.994 342 D CA 1.700 55.700 54.000 -0.001 0.000 0.830 342 D CB -0.187 40.623 40.800 0.017 0.000 0.959 342 D HN 0.410 nan 8.370 nan 0.000 0.452 343 E N -0.231 119.946 120.200 -0.040 0.000 2.106 343 E HA -0.067 4.275 4.350 -0.012 0.000 0.192 343 E C 2.164 178.704 176.600 -0.100 0.000 0.984 343 E CA 0.738 57.109 56.400 -0.048 0.000 0.806 343 E CB -0.350 29.328 29.700 -0.037 0.000 0.750 343 E HN 0.412 nan 8.360 nan 0.000 0.458 344 L N -0.126 120.971 121.223 -0.210 0.000 2.083 344 L HA -0.171 4.162 4.340 -0.012 0.000 0.209 344 L C 2.429 179.251 176.870 -0.081 0.000 1.083 344 L CA 0.876 55.520 54.840 -0.326 0.000 0.752 344 L CB -0.384 41.321 42.059 -0.589 0.000 0.899 344 L HN 0.206 nan 8.230 nan 0.000 0.433 345 L N -0.472 120.727 121.223 -0.040 0.000 2.056 345 L HA -0.183 4.150 4.340 -0.012 0.000 0.207 345 L C 2.311 179.196 176.870 0.024 0.000 1.078 345 L CA 0.906 55.755 54.840 0.016 0.000 0.749 345 L CB -0.594 41.475 42.059 0.015 0.000 0.901 345 L HN 0.357 nan 8.230 nan 0.000 0.433 346 N N 0.071 118.778 118.700 0.011 0.000 2.223 346 N HA -0.166 4.567 4.740 -0.012 0.000 0.185 346 N C 1.750 177.279 175.510 0.032 0.000 1.016 346 N CA 1.394 54.455 53.050 0.019 0.000 0.863 346 N CB -0.211 38.284 38.487 0.013 0.000 0.983 346 N HN 0.386 nan 8.380 nan 0.000 0.429 347 M N -0.839 118.789 119.600 0.047 0.000 2.562 347 M HA 0.089 4.561 4.480 -0.012 0.000 0.257 347 M C 0.959 177.315 176.300 0.094 0.000 1.099 347 M CA 0.678 56.029 55.300 0.085 0.000 1.099 347 M CB 0.267 32.947 32.600 0.134 0.000 1.427 347 M HN 0.264 nan 8.290 nan 0.000 0.489 348 G N -0.503 108.345 108.800 0.080 0.000 2.148 348 G HA2 -0.250 3.702 3.960 -0.012 0.000 0.203 348 G HA3 -0.250 3.702 3.960 -0.012 0.000 0.203 348 G C -0.206 174.696 174.900 0.004 0.000 0.993 348 G CA -0.703 44.415 45.100 0.031 0.000 0.661 348 G HN 0.430 nan 8.290 nan 0.000 0.518 349 Y N 1.233 121.461 120.300 -0.119 0.000 2.497 349 Y HA 0.378 4.921 4.550 -0.013 0.000 0.334 349 Y C 1.419 177.198 175.900 -0.200 0.000 1.199 349 Y CA 0.301 58.290 58.100 -0.186 0.000 1.425 349 Y CB 0.775 39.127 38.460 -0.180 0.000 1.291 349 Y HN 0.529 nan 8.280 nan 0.000 0.562 350 A N 6.322 128.981 122.820 -0.268 0.000 2.584 350 A HA 0.013 4.326 4.320 -0.012 0.000 0.239 350 A C -1.748 175.638 177.584 -0.329 0.000 1.043 350 A CA -0.970 50.818 52.037 -0.416 0.000 0.756 350 A CB -0.173 18.226 19.000 -1.003 0.000 0.963 350 A HN 0.655 nan 8.150 nan 0.000 0.511 351 P HA -0.155 nan 4.420 nan 0.000 0.216 351 P C 1.614 178.919 177.300 0.009 0.000 1.153 351 P CA 1.718 64.807 63.100 -0.018 0.000 0.848 351 P CB -0.125 31.612 31.700 0.062 0.000 0.787 352 W N -1.658 119.718 121.300 0.128 0.000 2.342 352 W HA -0.140 4.516 4.660 -0.007 0.000 0.297 352 W C 1.825 178.442 176.519 0.163 0.000 1.213 352 W CA 0.347 57.760 57.345 0.112 0.000 1.251 352 W CB -1.877 27.639 29.460 0.092 0.000 1.136 352 W HN 0.062 nan 8.180 nan 0.000 0.526 353 W N 2.125 123.052 121.300 -0.622 0.000 2.409 353 W HA -0.090 4.563 4.660 -0.012 0.000 0.299 353 W C 2.397 178.886 176.519 -0.050 0.000 1.203 353 W CA 2.545 59.655 57.345 -0.391 0.000 1.298 353 W CB -0.613 28.359 29.460 -0.814 0.000 1.127 353 W HN -0.279 nan 8.180 nan 0.000 0.528 354 V N 1.227 121.183 119.914 0.070 0.000 2.427 354 V HA -0.278 3.835 4.120 -0.012 0.000 0.248 354 V C 2.282 178.362 176.094 -0.024 0.000 1.051 354 V CA 2.186 64.496 62.300 0.015 0.000 1.048 354 V CB -0.958 30.909 31.823 0.073 0.000 0.666 354 V HN 0.032 nan 8.190 nan 0.000 0.456 355 K N 0.423 120.836 120.400 0.021 0.000 2.097 355 K HA -0.086 4.227 4.320 -0.012 0.000 0.206 355 K C 1.878 178.500 176.600 0.036 0.000 1.049 355 K CA 1.484 57.809 56.287 0.063 0.000 0.933 355 K CB -0.507 32.050 32.500 0.096 0.000 0.717 355 K HN 0.408 nan 8.250 nan 0.000 0.442 356 L N -0.635 120.566 121.223 -0.037 0.000 2.017 356 L HA -0.129 4.204 4.340 -0.012 0.000 0.208 356 L C 2.199 178.972 176.870 -0.163 0.000 1.073 356 L CA 1.297 56.092 54.840 -0.075 0.000 0.745 356 L CB -0.482 41.513 42.059 -0.106 0.000 0.894 356 L HN 0.147 nan 8.230 nan 0.000 0.432 357 F N 0.937 120.569 119.950 -0.530 0.000 2.102 357 F HA -0.263 4.256 4.527 -0.013 0.000 0.298 357 F C 2.652 178.338 175.800 -0.189 0.000 1.105 357 F CA 2.011 59.729 58.000 -0.471 0.000 1.239 357 F CB -0.166 38.394 39.000 -0.734 0.000 0.991 357 F HN 0.115 nan 8.300 nan 0.000 0.474 358 E N -0.605 119.614 120.200 0.032 0.000 2.058 358 E HA -0.228 4.115 4.350 -0.012 0.000 0.194 358 E C 1.985 178.572 176.600 -0.022 0.000 0.997 358 E CA 2.049 58.470 56.400 0.034 0.000 0.801 358 E CB -0.298 29.458 29.700 0.093 0.000 0.746 358 E HN 0.392 nan 8.360 nan 0.000 0.450 359 T N 0.426 114.990 114.554 0.016 0.000 2.788 359 T HA -0.163 4.180 4.350 -0.012 0.000 0.268 359 T C 2.019 176.699 174.700 -0.033 0.000 1.044 359 T CA 1.488 63.609 62.100 0.035 0.000 1.139 359 T CB -0.357 68.615 68.868 0.174 0.000 0.867 359 T HN 0.328 nan 8.240 nan 0.000 0.454 360 S N 1.225 116.865 115.700 -0.100 0.000 2.469 360 S HA 0.048 4.510 4.470 -0.012 0.000 0.238 360 S C 1.541 176.117 174.600 -0.041 0.000 0.998 360 S CA 0.648 58.794 58.200 -0.091 0.000 0.957 360 S CB -0.569 62.522 63.200 -0.181 0.000 0.764 360 S HN 0.480 nan 8.310 nan 0.000 0.514 361 L N 0.104 121.252 121.223 -0.126 0.000 2.741 361 L HA 0.392 4.725 4.340 -0.012 0.000 0.237 361 L C 1.093 177.958 176.870 -0.009 0.000 1.178 361 L CA -0.013 54.767 54.840 -0.100 0.000 0.973 361 L CB 0.121 42.083 42.059 -0.162 0.000 1.255 361 L HN 0.225 nan 8.230 nan 0.000 0.498 362 K N -0.496 119.909 120.400 0.008 0.000 2.553 362 K HA 0.254 4.567 4.320 -0.012 0.000 0.205 362 K C -0.210 176.391 176.600 0.002 0.000 1.168 362 K CA -0.525 55.763 56.287 0.002 0.000 1.043 362 K CB 1.242 33.725 32.500 -0.028 0.000 0.967 362 K HN 0.012 nan 8.250 nan 0.000 0.585 363 L N 3.236 124.491 121.223 0.054 0.000 2.485 363 L HA 0.119 4.452 4.340 -0.012 0.000 0.275 363 L C -2.337 174.589 176.870 0.094 0.000 1.207 363 L CA -1.368 53.495 54.840 0.038 0.000 0.855 363 L CB 0.151 42.206 42.059 -0.006 0.000 1.114 363 L HN -0.105 nan 8.230 nan 0.000 0.485 364 P HA 0.116 nan 4.420 nan 0.000 0.270 364 P C -1.533 175.857 177.300 0.151 0.000 1.227 364 P CA -0.117 63.033 63.100 0.082 0.000 0.788 364 P CB 0.612 32.340 31.700 0.046 0.000 0.926 365 V N -0.697 119.323 119.914 0.177 0.000 2.588 365 V HA 0.497 4.610 4.120 -0.012 0.000 0.304 365 V C -1.368 174.860 176.094 0.223 0.000 1.042 365 V CA -1.007 61.416 62.300 0.204 0.000 0.877 365 V CB 1.584 33.493 31.823 0.143 0.000 0.996 365 V HN 0.402 nan 8.190 nan 0.000 0.425 366 Y N 4.254 124.636 120.300 0.137 0.000 2.385 366 Y HA 0.695 5.239 4.550 -0.010 0.000 0.341 366 Y C -0.195 175.725 175.900 0.033 0.000 0.965 366 Y CA -0.638 57.561 58.100 0.164 0.000 1.180 366 Y CB 1.476 40.104 38.460 0.280 0.000 1.139 366 Y HN 0.678 nan 8.280 nan 0.000 0.502 367 V N 7.896 127.476 119.914 -0.558 0.000 2.432 367 V HA 0.266 4.378 4.120 -0.012 0.000 0.271 367 V C 0.858 176.466 176.094 -0.810 0.000 1.046 367 V CA 0.622 62.564 62.300 -0.597 0.000 0.945 367 V CB 0.700 32.163 31.823 -0.599 0.000 0.992 367 V HN 1.077 nan 8.190 nan 0.000 0.471 368 G N 3.721 112.189 108.800 -0.554 0.000 2.583 368 G HA2 0.403 4.356 3.960 -0.012 0.000 0.215 368 G HA3 0.403 4.356 3.960 -0.012 0.000 0.215 368 G C 0.323 174.930 174.900 -0.488 0.000 1.481 368 G CA 0.526 45.375 45.100 -0.418 0.000 0.948 368 G HN 1.044 nan 8.290 nan 0.000 0.511 369 A N 0.152 122.884 122.820 -0.147 0.000 2.943 369 A HA 0.664 4.977 4.320 -0.012 0.000 0.327 369 A C -1.881 175.700 177.584 -0.006 0.000 1.141 369 A CA -0.858 51.133 52.037 -0.076 0.000 0.773 369 A CB 1.462 20.526 19.000 0.107 0.000 1.143 369 A HN 0.186 nan 8.150 nan 0.000 0.463 370 P HA 0.158 nan 4.420 nan 0.000 0.223 370 P C 0.491 177.635 177.300 -0.260 0.000 1.151 370 P CA 1.703 64.424 63.100 -0.633 0.000 0.787 370 P CB 0.388 31.665 31.700 -0.705 0.000 0.788 371 A N -2.394 120.353 122.820 -0.121 0.000 2.586 371 A HA 0.598 4.911 4.320 -0.012 0.000 0.290 371 A C -3.127 174.261 177.584 -0.327 0.000 1.086 371 A CA -1.580 50.230 52.037 -0.378 0.000 0.665 371 A CB 0.169 19.029 19.000 -0.234 0.000 1.279 371 A HN -0.300 nan 8.150 nan 0.000 0.423 372 P HA 0.381 nan 4.420 nan 0.000 0.265 372 P C -0.237 177.040 177.300 -0.038 0.000 1.193 372 P CA 1.220 64.202 63.100 -0.197 0.000 0.765 372 P CB 0.508 32.065 31.700 -0.238 0.000 0.823 373 E N -0.557 119.686 120.200 0.071 0.000 3.286 373 E HA -0.235 4.108 4.350 -0.012 0.000 0.292 373 E C -0.490 176.177 176.600 0.112 0.000 0.928 373 E CA 1.298 57.750 56.400 0.086 0.000 0.982 373 E CB -1.672 28.052 29.700 0.041 0.000 1.500 373 E HN 0.573 nan 8.360 nan 0.000 0.441 374 Q N -1.398 118.478 119.800 0.127 0.000 2.423 374 Q HA 0.674 5.007 4.340 -0.012 0.000 0.278 374 Q C 0.473 176.524 176.000 0.084 0.000 1.097 374 Q CA -0.479 55.428 55.803 0.173 0.000 0.809 374 Q CB 2.441 31.310 28.738 0.218 0.000 1.391 374 Q HN 0.241 nan 8.270 nan 0.000 0.428 375 G N 0.162 109.060 108.800 0.163 0.000 2.384 375 G HA2 -0.202 3.751 3.960 -0.012 0.000 0.200 375 G HA3 -0.202 3.751 3.960 -0.012 0.000 0.200 375 G C -1.055 173.757 174.900 -0.148 0.000 1.205 375 G CA -0.227 44.745 45.100 -0.212 0.000 1.116 375 G HN 0.921 nan 8.290 nan 0.000 0.547 376 H N -0.415 118.598 119.070 -0.094 0.000 2.592 376 H HA -0.029 4.519 4.556 -0.012 0.000 0.323 376 H C 0.058 175.406 175.328 0.033 0.000 1.117 376 H CA 1.297 57.336 56.048 -0.016 0.000 1.120 376 H CB -1.724 28.129 29.762 0.152 0.000 1.561 376 H HN 0.767 nan 8.280 nan 0.000 0.409 377 T N 0.949 115.407 114.554 -0.161 0.000 2.971 377 T HA 0.421 4.764 4.350 -0.012 0.000 0.304 377 T C -0.392 174.382 174.700 0.124 0.000 1.038 377 T CA -0.897 61.295 62.100 0.154 0.000 1.007 377 T CB 1.932 71.011 68.868 0.353 0.000 1.055 377 T HN 0.262 nan 8.240 nan 0.000 0.451 378 L N 4.358 125.812 121.223 0.385 0.000 2.276 378 L HA 0.619 4.952 4.340 -0.012 0.000 0.286 378 L C -1.165 175.948 176.870 0.406 0.000 1.061 378 L CA -0.320 54.791 54.840 0.451 0.000 0.807 378 L CB 0.235 42.621 42.059 0.545 0.000 1.177 378 L HN 0.586 nan 8.230 nan 0.000 0.429 379 L N 6.224 127.638 121.223 0.317 0.000 2.282 379 L HA 0.801 5.134 4.340 -0.012 0.000 0.288 379 L C 0.580 177.582 176.870 0.219 0.000 1.033 379 L CA -0.382 54.608 54.840 0.251 0.000 0.807 379 L CB 0.939 43.130 42.059 0.220 0.000 1.209 379 L HN 0.945 nan 8.230 nan 0.000 0.423 380 G N 2.199 111.124 108.800 0.208 0.000 2.692 380 G HA2 -0.169 3.784 3.960 -0.012 0.000 0.686 380 G HA3 -0.169 3.784 3.960 -0.012 0.000 0.686 380 G C -1.255 173.825 174.900 0.301 0.000 1.243 380 G CA -0.875 44.336 45.100 0.184 0.000 0.782 380 G HN 0.652 nan 8.290 nan 0.000 0.625 381 D N 1.775 122.308 120.400 0.222 0.000 2.317 381 D HA 0.533 5.166 4.640 -0.012 0.000 0.234 381 D C -1.017 175.260 176.300 -0.038 0.000 1.112 381 D CA -2.198 51.896 54.000 0.157 0.000 0.840 381 D CB 1.724 42.625 40.800 0.169 0.000 1.078 381 D HN 0.021 nan 8.370 nan 0.000 0.486 382 P HA -0.029 nan 4.420 nan 0.000 0.223 382 P C 1.095 178.300 177.300 -0.159 0.000 1.151 382 P CA 0.587 63.574 63.100 -0.188 0.000 0.787 382 P CB 0.387 31.912 31.700 -0.291 0.000 0.788 383 S N -0.283 115.355 115.700 -0.104 0.000 2.442 383 S HA -0.064 4.399 4.470 -0.012 0.000 0.236 383 S C 0.802 175.371 174.600 -0.052 0.000 1.007 383 S CA 0.859 59.052 58.200 -0.011 0.000 0.965 383 S CB -0.794 62.412 63.200 0.010 0.000 0.773 383 S HN 0.402 nan 8.310 nan 0.000 0.504 384 N N 0.309 118.891 118.700 -0.197 0.000 2.710 384 N HA 0.226 4.959 4.740 -0.012 0.000 0.244 384 N C -3.681 171.587 175.510 -0.404 0.000 1.321 384 N CA -1.248 51.582 53.050 -0.367 0.000 0.758 384 N CB 0.848 39.268 38.487 -0.113 0.000 1.284 384 N HN -0.058 nan 8.380 nan 0.000 0.530 385 P HA -0.011 nan 4.420 nan 0.000 0.258 385 P C -0.267 176.894 177.300 -0.231 0.000 1.172 385 P CA 0.617 63.495 63.100 -0.369 0.000 0.762 385 P CB 0.348 31.793 31.700 -0.425 0.000 0.764 386 D N 1.678 122.011 120.400 -0.113 0.000 2.783 386 D HA 0.087 4.720 4.640 -0.012 0.000 0.306 386 D C -0.313 175.976 176.300 -0.020 0.000 1.633 386 D CA -0.169 53.796 54.000 -0.058 0.000 0.796 386 D CB -0.762 40.010 40.800 -0.047 0.000 1.230 386 D HN 0.017 nan 8.370 nan 0.000 0.441 387 L N 0.844 122.061 121.223 -0.010 0.000 2.453 387 L HA 0.382 4.715 4.340 -0.012 0.000 0.261 387 L C 0.741 177.621 176.870 0.015 0.000 1.179 387 L CA 0.517 55.363 54.840 0.010 0.000 0.813 387 L CB 0.754 42.830 42.059 0.029 0.000 1.110 387 L HN 0.001 nan 8.230 nan 0.000 0.466 388 E N 1.617 121.827 120.200 0.017 0.000 3.786 388 E HA 0.120 4.462 4.350 -0.012 0.000 0.215 388 E C 0.678 177.291 176.600 0.021 0.000 1.188 388 E CA 0.018 56.434 56.400 0.027 0.000 1.248 388 E CB 0.820 30.535 29.700 0.026 0.000 1.260 388 E HN 0.489 nan 8.360 nan 0.000 0.426 389 V N -1.575 118.345 119.914 0.010 0.000 3.380 389 V HA 0.296 4.409 4.120 -0.012 0.000 0.268 389 V C 0.999 177.086 176.094 -0.011 0.000 1.168 389 V CA 1.177 63.470 62.300 -0.011 0.000 1.156 389 V CB -0.491 31.308 31.823 -0.040 0.000 0.785 389 V HN 0.495 nan 8.190 nan 0.000 0.487 390 G N 0.143 108.969 108.800 0.043 0.000 2.601 390 G HA2 -0.150 3.803 3.960 -0.012 0.000 0.224 390 G HA3 -0.150 3.803 3.960 -0.012 0.000 0.224 390 G C -0.674 174.243 174.900 0.029 0.000 1.171 390 G CA -0.117 45.053 45.100 0.118 0.000 1.009 390 G HN 0.512 nan 8.290 nan 0.000 0.589 391 L N 1.591 122.724 121.223 -0.151 0.000 2.296 391 L HA 0.618 4.951 4.340 -0.012 0.000 0.286 391 L C 0.194 176.852 176.870 -0.353 0.000 1.023 391 L CA -0.604 53.960 54.840 -0.460 0.000 0.812 391 L CB 1.653 43.318 42.059 -0.657 0.000 1.223 391 L HN 0.591 nan 8.230 nan 0.000 0.421 392 S N 1.045 116.480 115.700 -0.442 0.000 2.513 392 S HA 0.052 4.515 4.470 -0.012 0.000 0.276 392 S C 1.152 175.505 174.600 -0.412 0.000 1.254 392 S CA -0.403 57.471 58.200 -0.544 0.000 1.053 392 S CB 1.601 64.134 63.200 -1.111 0.000 0.958 392 S HN 0.810 nan 8.310 nan 0.000 0.491 393 S N 2.603 118.129 115.700 -0.290 0.000 2.442 393 S HA -0.060 4.402 4.470 -0.012 0.000 0.236 393 S C 1.484 176.019 174.600 -0.108 0.000 1.007 393 S CA 0.790 58.894 58.200 -0.159 0.000 0.965 393 S CB -0.328 62.816 63.200 -0.093 0.000 0.773 393 S HN 0.819 nan 8.310 nan 0.000 0.504 394 G N 0.466 109.186 108.800 -0.135 0.000 3.337 394 G HA2 0.180 4.133 3.960 -0.012 0.000 0.246 394 G HA3 0.180 4.133 3.960 -0.012 0.000 0.246 394 G C 0.202 175.202 174.900 0.167 0.000 1.131 394 G CA -0.449 44.689 45.100 0.064 0.000 0.773 394 G HN 0.439 nan 8.290 nan 0.000 0.544 395 Q N 0.522 120.334 119.800 0.020 0.000 2.373 395 Q HA 0.202 4.534 4.340 -0.012 0.000 0.255 395 Q C 1.548 177.585 176.000 0.062 0.000 0.980 395 Q CA 0.198 56.048 55.803 0.079 0.000 0.882 395 Q CB 1.394 30.068 28.738 -0.107 0.000 1.249 395 Q HN 0.114 nan 8.270 nan 0.000 0.438 396 G N 2.271 111.127 108.800 0.093 0.000 2.498 396 G HA2 -0.102 3.851 3.960 -0.012 0.000 0.219 396 G HA3 -0.102 3.851 3.960 -0.012 0.000 0.219 396 G C 0.647 175.641 174.900 0.156 0.000 1.119 396 G CA 0.798 45.981 45.100 0.139 0.000 0.766 396 G HN 0.613 nan 8.290 nan 0.000 0.552 397 A N -0.743 122.159 122.820 0.136 0.000 2.616 397 A HA 0.484 4.796 4.320 -0.012 0.000 0.294 397 A C 1.755 179.380 177.584 0.068 0.000 1.091 397 A CA 0.798 52.940 52.037 0.175 0.000 0.971 397 A CB -0.038 19.208 19.000 0.410 0.000 1.222 397 A HN 0.064 nan 8.150 nan 0.000 0.521 398 T N 1.629 116.175 114.554 -0.014 0.000 2.653 398 T HA -0.226 4.117 4.350 -0.012 0.000 0.268 398 T C 1.813 176.483 174.700 -0.050 0.000 1.035 398 T CA 2.114 64.155 62.100 -0.098 0.000 1.154 398 T CB -0.340 68.464 68.868 -0.106 0.000 0.862 398 T HN 0.826 nan 8.240 nan 0.000 0.441 399 D N 1.887 122.290 120.400 0.005 0.000 2.104 399 D HA -0.123 4.510 4.640 -0.012 0.000 0.194 399 D C 2.159 178.472 176.300 0.021 0.000 0.994 399 D CA 1.066 55.079 54.000 0.023 0.000 0.830 399 D CB -0.932 39.900 40.800 0.053 0.000 0.959 399 D HN 0.365 nan 8.370 nan 0.000 0.452 400 L N -0.690 120.546 121.223 0.021 0.000 2.079 400 L HA -0.149 4.184 4.340 -0.012 0.000 0.210 400 L C 2.810 179.753 176.870 0.122 0.000 1.081 400 L CA 0.901 55.750 54.840 0.015 0.000 0.752 400 L CB -0.425 41.656 42.059 0.036 0.000 0.896 400 L HN 0.011 nan 8.230 nan 0.000 0.433 401 M N -0.431 119.252 119.600 0.139 0.000 2.132 401 M HA -0.080 4.393 4.480 -0.012 0.000 0.263 401 M C 2.388 178.898 176.300 0.351 0.000 1.065 401 M CA 1.835 57.265 55.300 0.216 0.000 1.122 401 M CB -1.760 30.730 32.600 -0.182 0.000 1.365 401 M HN 0.283 nan 8.290 nan 0.000 0.411 402 G N -0.605 108.312 108.800 0.195 0.000 2.408 402 G HA2 -0.153 3.800 3.960 -0.012 0.000 0.217 402 G HA3 -0.153 3.800 3.960 -0.012 0.000 0.217 402 G C 1.561 176.626 174.900 0.276 0.000 1.150 402 G CA 1.304 46.606 45.100 0.338 0.000 0.776 402 G HN 0.404 nan 8.290 nan 0.000 0.542 403 T N 0.950 115.603 114.554 0.166 0.000 2.777 403 T HA -0.048 4.295 4.350 -0.012 0.000 0.266 403 T C 2.268 177.097 174.700 0.216 0.000 1.040 403 T CA 0.961 63.150 62.100 0.149 0.000 1.141 403 T CB -0.177 68.665 68.868 -0.043 0.000 0.868 403 T HN 0.163 nan 8.240 nan 0.000 0.444 404 L N 0.661 122.021 121.223 0.228 0.000 1.994 404 L HA -0.065 4.268 4.340 -0.012 0.000 0.208 404 L C 2.367 179.475 176.870 0.397 0.000 1.071 404 L CA 1.286 56.325 54.840 0.331 0.000 0.745 404 L CB -0.395 41.873 42.059 0.348 0.000 0.892 404 L HN 0.208 nan 8.230 nan 0.000 0.431 405 L N -0.309 121.145 121.223 0.386 0.000 1.971 405 L HA -0.295 4.038 4.340 -0.012 0.000 0.215 405 L C 2.438 179.473 176.870 0.275 0.000 1.072 405 L CA 2.181 57.200 54.840 0.297 0.000 0.758 405 L CB -0.536 41.672 42.059 0.249 0.000 0.889 405 L HN 0.259 nan 8.230 nan 0.000 0.433 406 M N -1.110 118.630 119.600 0.232 0.000 2.175 406 M HA -0.117 4.355 4.480 -0.012 0.000 0.264 406 M C 2.608 178.875 176.300 -0.055 0.000 1.063 406 M CA 1.769 57.037 55.300 -0.053 0.000 1.119 406 M CB -1.791 30.800 32.600 -0.015 0.000 1.377 406 M HN 0.498 nan 8.290 nan 0.000 0.415 407 S N 0.790 116.692 115.700 0.337 0.000 2.359 407 S HA -0.093 4.370 4.470 -0.012 0.000 0.224 407 S C 1.872 176.737 174.600 0.442 0.000 1.035 407 S CA 0.982 59.527 58.200 0.576 0.000 1.018 407 S CB -0.004 63.685 63.200 0.815 0.000 0.876 407 S HN 0.271 nan 8.310 nan 0.000 0.448 408 I N 1.449 122.197 120.570 0.295 0.000 2.315 408 I HA -0.079 4.084 4.170 -0.012 0.000 0.248 408 I C 2.479 178.566 176.117 -0.050 0.000 1.117 408 I CA 1.309 62.611 61.300 0.004 0.000 1.404 408 I CB -2.127 35.689 38.000 -0.306 0.000 1.071 408 I HN 0.306 nan 8.210 nan 0.000 0.419 409 T N 0.810 115.391 114.554 0.045 0.000 2.684 409 T HA -0.208 4.135 4.350 -0.012 0.000 0.267 409 T C 1.896 176.670 174.700 0.123 0.000 1.036 409 T CA 1.686 63.852 62.100 0.110 0.000 1.148 409 T CB -0.370 68.531 68.868 0.054 0.000 0.863 409 T HN 0.186 nan 8.240 nan 0.000 0.436 410 Y N 0.964 121.399 120.300 0.225 0.000 2.200 410 Y HA 0.042 4.585 4.550 -0.012 0.000 0.290 410 Y C 2.194 178.167 175.900 0.121 0.000 1.137 410 Y CA -0.006 58.208 58.100 0.189 0.000 1.163 410 Y CB -1.107 37.469 38.460 0.194 0.000 0.988 410 Y HN 0.112 nan 8.280 nan 0.000 0.518 411 L N -0.324 121.030 121.223 0.218 0.000 2.012 411 L HA -0.158 4.175 4.340 -0.012 0.000 0.210 411 L C 2.186 179.028 176.870 -0.046 0.000 1.073 411 L CA 1.509 56.317 54.840 -0.053 0.000 0.748 411 L CB -1.060 40.824 42.059 -0.293 0.000 0.891 411 L HN 0.053 nan 8.230 nan 0.000 0.431 412 V N -0.264 119.646 119.914 -0.008 0.000 2.287 412 V HA -0.383 3.730 4.120 -0.012 0.000 0.248 412 V C 2.681 178.834 176.094 0.097 0.000 1.053 412 V CA 2.385 64.696 62.300 0.018 0.000 1.027 412 V CB -0.576 31.301 31.823 0.091 0.000 0.646 412 V HN 0.610 nan 8.190 nan 0.000 0.447 413 M N -0.773 118.946 119.600 0.199 0.000 2.108 413 M HA -0.293 4.180 4.480 -0.012 0.000 0.261 413 M C 2.367 178.867 176.300 0.333 0.000 1.066 413 M CA 1.971 57.463 55.300 0.321 0.000 1.107 413 M CB -0.178 32.639 32.600 0.363 0.000 1.356 413 M HN 0.380 nan 8.290 nan 0.000 0.406 414 Q N -0.142 119.799 119.800 0.235 0.000 2.119 414 Q HA -0.154 4.179 4.340 -0.012 0.000 0.201 414 Q C 2.027 178.120 176.000 0.155 0.000 0.972 414 Q CA 1.435 57.380 55.803 0.237 0.000 0.847 414 Q CB -0.159 28.595 28.738 0.027 0.000 0.903 414 Q HN 0.553 nan 8.270 nan 0.000 0.433 415 L N 0.604 121.845 121.223 0.029 0.000 2.005 415 L HA -0.214 4.119 4.340 -0.012 0.000 0.207 415 L C 1.909 178.752 176.870 -0.044 0.000 1.072 415 L CA 1.029 55.836 54.840 -0.055 0.000 0.744 415 L CB -0.460 41.519 42.059 -0.134 0.000 0.895 415 L HN 0.182 nan 8.230 nan 0.000 0.433 416 D N -0.854 119.508 120.400 -0.064 0.000 2.104 416 D HA -0.181 4.452 4.640 -0.012 0.000 0.194 416 D C 2.033 178.167 176.300 -0.277 0.000 0.994 416 D CA 1.424 55.296 54.000 -0.213 0.000 0.830 416 D CB -0.155 40.429 40.800 -0.361 0.000 0.959 416 D HN 0.444 nan 8.370 nan 0.000 0.452 417 H N -1.573 117.554 119.070 0.094 0.000 2.648 417 H HA 0.167 4.716 4.556 -0.012 0.000 0.265 417 H C 1.545 176.946 175.328 0.123 0.000 0.961 417 H CA 1.318 57.428 56.048 0.102 0.000 1.185 417 H CB 0.902 30.734 29.762 0.116 0.000 1.449 417 H HN 0.262 nan 8.280 nan 0.000 0.523 418 T N -3.413 111.298 114.554 0.262 0.000 3.051 418 T HA 0.366 4.709 4.350 -0.012 0.000 0.254 418 T C 1.129 175.988 174.700 0.265 0.000 0.916 418 T CA 0.292 62.561 62.100 0.282 0.000 0.894 418 T CB 0.193 69.354 68.868 0.489 0.000 1.251 418 T HN 0.138 nan 8.240 nan 0.000 0.517 419 A N 2.550 125.453 122.820 0.137 0.000 3.105 419 A HA 0.605 4.918 4.320 -0.012 0.000 0.297 419 A C -1.408 176.020 177.584 -0.260 0.000 0.977 419 A CA -1.079 50.904 52.037 -0.090 0.000 1.020 419 A CB 0.411 19.287 19.000 -0.207 0.000 1.098 419 A HN 0.301 nan 8.150 nan 0.000 0.497 420 P HA -0.256 nan 4.420 nan 0.000 0.218 420 P C 1.118 178.377 177.300 -0.068 0.000 1.146 420 P CA 1.631 64.700 63.100 -0.053 0.000 0.813 420 P CB -0.374 31.337 31.700 0.017 0.000 0.778 421 H N -0.607 118.447 119.070 -0.026 0.000 2.543 421 H HA 0.021 4.570 4.556 -0.012 0.000 0.286 421 H C 1.712 177.005 175.328 -0.058 0.000 1.037 421 H CA 0.573 56.604 56.048 -0.029 0.000 1.250 421 H CB -1.208 28.554 29.762 0.000 0.000 1.373 421 H HN 0.213 nan 8.280 nan 0.000 0.580 422 L N 0.450 121.412 121.223 -0.434 0.000 2.509 422 L HA -0.019 4.313 4.340 -0.012 0.000 0.222 422 L C 1.834 178.453 176.870 -0.418 0.000 1.123 422 L CA 0.010 54.611 54.840 -0.399 0.000 0.856 422 L CB -0.208 41.570 42.059 -0.468 0.000 0.985 422 L HN 0.116 nan 8.230 nan 0.000 0.456 423 N N 0.489 119.002 118.700 -0.312 0.000 2.104 423 N HA -0.190 4.543 4.740 -0.012 0.000 0.190 423 N C 2.052 177.423 175.510 -0.230 0.000 1.024 423 N CA 1.829 54.711 53.050 -0.280 0.000 0.853 423 N CB -0.383 37.993 38.487 -0.185 0.000 1.008 423 N HN 0.358 nan 8.380 nan 0.000 0.424 424 S N 0.447 116.052 115.700 -0.158 0.000 2.493 424 S HA -0.037 4.426 4.470 -0.012 0.000 0.243 424 S C 1.603 176.128 174.600 -0.124 0.000 0.991 424 S CA 0.604 58.738 58.200 -0.110 0.000 0.957 424 S CB -0.115 63.049 63.200 -0.061 0.000 0.756 424 S HN 0.242 nan 8.310 nan 0.000 0.521 425 R N 0.086 120.468 120.500 -0.198 0.000 2.300 425 R HA 0.364 4.697 4.340 -0.012 0.000 0.199 425 R C -0.248 175.923 176.300 -0.214 0.000 0.920 425 R CA 0.303 56.292 56.100 -0.185 0.000 1.046 425 R CB 0.050 30.230 30.300 -0.200 0.000 0.984 425 R HN 0.481 nan 8.270 nan 0.000 0.493 426 I N 0.927 121.338 120.570 -0.266 0.000 2.460 426 I HA 0.161 4.324 4.170 -0.012 0.000 0.277 426 I C 0.552 176.585 176.117 -0.141 0.000 1.057 426 I CA -0.035 61.134 61.300 -0.220 0.000 1.179 426 I CB 1.478 39.287 38.000 -0.318 0.000 1.329 426 I HN -0.191 nan 8.210 nan 0.000 0.478 427 K N 2.682 123.028 120.400 -0.090 0.000 2.435 427 K HA 0.198 4.511 4.320 -0.012 0.000 0.199 427 K C -0.508 176.065 176.600 -0.045 0.000 1.153 427 K CA 0.136 56.384 56.287 -0.065 0.000 0.974 427 K CB 0.669 33.139 32.500 -0.050 0.000 0.997 427 K HN 0.678 nan 8.250 nan 0.000 0.547 428 D N -2.172 118.205 120.400 -0.038 0.000 2.779 428 D HA 0.082 4.715 4.640 -0.012 0.000 0.331 428 D C 0.642 176.932 176.300 -0.017 0.000 1.331 428 D CA -0.728 53.258 54.000 -0.023 0.000 0.866 428 D CB 0.136 40.928 40.800 -0.015 0.000 1.409 428 D HN -0.365 nan 8.370 nan 0.000 0.486 429 M N -0.569 119.027 119.600 -0.006 0.000 2.065 429 M HA 0.004 4.477 4.480 -0.012 0.000 0.259 429 M C -1.013 175.291 176.300 0.006 0.000 1.069 429 M CA 1.812 57.113 55.300 0.001 0.000 1.110 429 M CB -2.295 30.311 32.600 0.010 0.000 1.328 429 M HN 0.384 nan 8.290 nan 0.000 0.405 430 P HA -0.115 nan 4.420 nan 0.000 0.215 430 P C 1.682 178.996 177.300 0.022 0.000 1.157 430 P CA 2.283 65.394 63.100 0.019 0.000 0.868 430 P CB -0.253 31.458 31.700 0.018 0.000 0.788 431 S N -0.819 114.889 115.700 0.013 0.000 2.402 431 S HA -0.084 4.379 4.470 -0.012 0.000 0.229 431 S C 2.071 176.690 174.600 0.033 0.000 1.021 431 S CA 1.089 59.301 58.200 0.020 0.000 0.974 431 S CB -1.401 61.795 63.200 -0.006 0.000 0.800 431 S HN 0.102 nan 8.310 nan 0.000 0.484 432 A N 1.205 124.027 122.820 0.004 0.000 1.855 432 A HA -0.043 4.270 4.320 -0.012 0.000 0.215 432 A C 2.536 180.127 177.584 0.011 0.000 1.191 432 A CA 1.434 53.469 52.037 -0.002 0.000 0.613 432 A CB -1.562 17.416 19.000 -0.037 0.000 0.829 432 A HN 0.674 nan 8.150 nan 0.000 0.442 433 C N -1.053 118.246 119.300 -0.003 0.000 2.413 433 C HA -0.118 4.335 4.460 -0.012 0.000 0.276 433 C C 2.886 177.880 174.990 0.006 0.000 1.236 433 C CA 1.259 60.270 59.018 -0.012 0.000 1.735 433 C CB -1.391 26.362 27.740 0.022 0.000 2.031 433 C HN 0.595 nan 8.230 nan 0.000 0.474 434 R N -0.611 119.916 120.500 0.045 0.000 2.073 434 R HA -0.152 4.181 4.340 -0.012 0.000 0.234 434 R C 2.098 178.437 176.300 0.066 0.000 1.134 434 R CA 1.886 58.024 56.100 0.064 0.000 0.952 434 R CB -0.569 29.775 30.300 0.074 0.000 0.850 434 R HN 0.626 nan 8.270 nan 0.000 0.433 435 F N 1.037 120.950 119.950 -0.061 0.000 2.146 435 F HA -0.170 4.349 4.527 -0.012 0.000 0.298 435 F C 1.957 177.686 175.800 -0.117 0.000 1.096 435 F CA 1.154 59.107 58.000 -0.079 0.000 1.275 435 F CB -0.278 38.650 39.000 -0.119 0.000 1.008 435 F HN -0.053 nan 8.300 nan 0.000 0.480 436 L N 0.809 121.890 121.223 -0.236 0.000 2.093 436 L HA -0.125 4.207 4.340 -0.012 0.000 0.208 436 L C 1.942 178.521 176.870 -0.484 0.000 1.085 436 L CA 2.322 56.838 54.840 -0.540 0.000 0.755 436 L CB -1.140 40.535 42.059 -0.639 0.000 0.904 436 L HN 0.313 nan 8.230 nan 0.000 0.435 437 D N -1.697 118.574 120.400 -0.216 0.000 2.123 437 D HA -0.245 4.387 4.640 -0.012 0.000 0.196 437 D C 2.260 178.603 176.300 0.072 0.000 0.992 437 D CA 1.394 55.431 54.000 0.061 0.000 0.833 437 D CB -0.026 40.879 40.800 0.175 0.000 0.954 437 D HN 0.393 nan 8.370 nan 0.000 0.455 438 S N -1.708 113.947 115.700 -0.074 0.000 2.371 438 S HA -0.197 4.266 4.470 -0.012 0.000 0.224 438 S C 1.981 176.455 174.600 -0.210 0.000 1.029 438 S CA 0.895 59.042 58.200 -0.088 0.000 0.978 438 S CB -0.782 62.385 63.200 -0.054 0.000 0.833 438 S HN 0.546 nan 8.310 nan 0.000 0.466 439 Y N 0.438 120.428 120.300 -0.516 0.000 2.181 439 Y HA -0.132 4.411 4.550 -0.012 0.000 0.288 439 Y C 1.863 177.635 175.900 -0.214 0.000 1.146 439 Y CA 2.072 59.869 58.100 -0.506 0.000 1.164 439 Y CB -0.409 37.577 38.460 -0.791 0.000 0.982 439 Y HN 0.359 nan 8.280 nan 0.000 0.515 440 W N 1.036 122.159 121.300 -0.295 0.000 2.525 440 W HA -0.077 4.576 4.660 -0.012 0.000 0.259 440 W C 1.728 178.118 176.519 -0.215 0.000 1.253 440 W CA 0.999 58.143 57.345 -0.334 0.000 1.262 440 W CB -0.725 28.517 29.460 -0.363 0.000 1.122 440 W HN 0.330 nan 8.180 nan 0.000 0.607 441 Q N -0.670 119.088 119.800 -0.070 0.000 2.365 441 Q HA 0.201 4.534 4.340 -0.012 0.000 0.203 441 Q C 1.609 177.186 176.000 -0.705 0.000 0.929 441 Q CA 0.583 56.199 55.803 -0.313 0.000 0.948 441 Q CB -0.032 28.349 28.738 -0.595 0.000 1.043 441 Q HN 0.252 nan 8.270 nan 0.000 0.505 442 G N 0.729 109.040 108.800 -0.815 0.000 2.148 442 G HA2 -0.317 3.636 3.960 -0.012 0.000 0.254 442 G HA3 -0.317 3.636 3.960 -0.012 0.000 0.254 442 G C 0.165 174.745 174.900 -0.534 0.000 0.981 442 G CA 0.442 44.807 45.100 -1.225 0.000 0.670 442 G HN 0.640 nan 8.290 nan 0.000 0.528 443 H N 0.095 118.958 119.070 -0.344 0.000 2.543 443 H HA 0.200 4.749 4.556 -0.012 0.000 0.269 443 H C 0.917 176.162 175.328 -0.139 0.000 1.005 443 H CA 0.263 56.198 56.048 -0.189 0.000 1.146 443 H CB 0.436 30.130 29.762 -0.113 0.000 1.353 443 H HN 0.412 nan 8.280 nan 0.000 0.595 444 E N 0.591 120.754 120.200 -0.062 0.000 2.281 444 E HA 0.013 4.356 4.350 -0.012 0.000 0.257 444 E C 0.791 177.377 176.600 -0.024 0.000 0.971 444 E CA -0.302 56.093 56.400 -0.008 0.000 0.839 444 E CB 1.137 30.845 29.700 0.013 0.000 1.238 444 E HN 0.516 nan 8.360 nan 0.000 0.412 445 E N 0.165 120.386 120.200 0.035 0.000 2.482 445 E HA -0.017 4.326 4.350 -0.012 0.000 0.196 445 E C 0.730 177.281 176.600 -0.080 0.000 1.047 445 E CA 0.504 56.920 56.400 0.027 0.000 0.869 445 E CB -0.389 29.384 29.700 0.122 0.000 0.836 445 E HN 0.388 nan 8.360 nan 0.000 0.520 446 I N -1.267 119.234 120.570 -0.115 0.000 2.441 446 I HA 0.590 4.753 4.170 -0.012 0.000 0.295 446 I C -0.327 175.609 176.117 -0.301 0.000 0.994 446 I CA -1.266 59.829 61.300 -0.342 0.000 1.144 446 I CB 1.749 39.602 38.000 -0.245 0.000 1.314 446 I HN -0.159 nan 8.210 nan 0.000 0.445 447 R N 3.867 123.989 120.500 -0.630 0.000 2.831 447 R HA 0.693 5.026 4.340 -0.012 0.000 0.266 447 R C -1.521 174.418 176.300 -0.600 0.000 1.051 447 R CA -0.980 54.739 56.100 -0.635 0.000 0.943 447 R CB 2.410 32.425 30.300 -0.475 0.000 1.228 447 R HN 0.854 nan 8.270 nan 0.000 0.467 448 Q N 0.434 120.050 119.800 -0.306 0.000 2.578 448 Q HA 0.558 4.891 4.340 -0.012 0.000 0.284 448 Q C -1.468 174.548 176.000 0.026 0.000 0.960 448 Q CA -1.004 54.715 55.803 -0.142 0.000 0.809 448 Q CB 1.754 30.453 28.738 -0.067 0.000 1.462 448 Q HN 0.626 nan 8.270 nan 0.000 0.392 449 I N -0.494 120.034 120.570 -0.071 0.000 2.499 449 I HA 0.885 5.048 4.170 -0.012 0.000 0.288 449 I C -0.874 175.058 176.117 -0.308 0.000 1.048 449 I CA -0.599 60.576 61.300 -0.209 0.000 1.062 449 I CB 2.140 39.849 38.000 -0.486 0.000 1.238 449 I HN 0.877 nan 8.210 nan 0.000 0.426 450 S N 4.123 119.907 115.700 0.140 0.000 2.625 450 S HA 0.732 5.194 4.470 -0.012 0.000 0.271 450 S C -1.118 173.870 174.600 0.647 0.000 1.161 450 S CA -0.901 57.547 58.200 0.414 0.000 0.820 450 S CB 2.469 65.937 63.200 0.446 0.000 1.137 450 S HN 0.887 nan 8.310 nan 0.000 0.470 451 K N 0.760 121.467 120.400 0.512 0.000 2.587 451 K HA 0.541 4.853 4.320 -0.012 0.000 0.256 451 K C 0.063 176.802 176.600 0.231 0.000 0.974 451 K CA 0.006 56.511 56.287 0.364 0.000 0.855 451 K CB 1.326 33.971 32.500 0.242 0.000 1.292 451 K HN 0.885 nan 8.250 nan 0.000 0.444 452 S N 1.668 117.469 115.700 0.167 0.000 4.137 452 S HA -0.290 4.172 4.470 -0.012 0.000 0.550 452 S C 0.454 175.060 174.600 0.010 0.000 1.887 452 S CA 2.017 60.222 58.200 0.009 0.000 4.230 452 S CB -0.927 62.234 63.200 -0.065 0.000 0.378 452 S HN 1.006 nan 8.310 nan 0.000 0.490 453 D N 1.729 122.090 120.400 -0.065 0.000 2.388 453 D HA 0.368 5.001 4.640 -0.012 0.000 0.221 453 D C -0.351 176.082 176.300 0.223 0.000 1.133 453 D CA 0.010 54.058 54.000 0.080 0.000 0.831 453 D CB -0.204 40.601 40.800 0.008 0.000 0.962 453 D HN 0.312 nan 8.370 nan 0.000 0.502 454 D N 0.248 120.788 120.400 0.234 0.000 2.362 454 D HA 0.678 5.311 4.640 -0.012 0.000 0.247 454 D C -1.120 175.438 176.300 0.430 0.000 1.050 454 D CA -0.643 53.520 54.000 0.271 0.000 0.839 454 D CB 1.892 42.765 40.800 0.123 0.000 1.283 454 D HN 0.174 nan 8.370 nan 0.000 0.477 455 A N 2.843 125.837 122.820 0.289 0.000 2.586 455 A HA 0.700 5.012 4.320 -0.012 0.000 0.291 455 A C -1.524 175.932 177.584 -0.212 0.000 1.062 455 A CA -0.704 51.308 52.037 -0.041 0.000 0.666 455 A CB 1.374 20.124 19.000 -0.417 0.000 1.281 455 A HN 0.474 nan 8.150 nan 0.000 0.421 456 M N 1.757 121.133 119.600 -0.374 0.000 2.267 456 M HA 0.404 4.877 4.480 -0.012 0.000 0.289 456 M C -1.523 174.717 176.300 -0.098 0.000 1.043 456 M CA -0.170 55.041 55.300 -0.147 0.000 0.928 456 M CB 1.780 34.333 32.600 -0.079 0.000 1.613 456 M HN 0.579 nan 8.290 nan 0.000 0.450 457 L N 2.362 123.497 121.223 -0.147 0.000 2.295 457 L HA 0.819 5.152 4.340 -0.012 0.000 0.285 457 L C 0.493 176.968 176.870 -0.657 0.000 1.035 457 L CA -0.624 53.971 54.840 -0.409 0.000 0.806 457 L CB 1.514 43.385 42.059 -0.313 0.000 1.214 457 L HN 0.809 nan 8.230 nan 0.000 0.426 458 G N 2.202 110.138 108.800 -1.441 0.000 2.481 458 G HA2 0.601 4.553 3.960 -0.012 0.000 0.315 458 G HA3 0.601 4.553 3.960 -0.012 0.000 0.315 458 G C -1.836 172.318 174.900 -1.243 0.000 1.231 458 G CA -0.365 43.711 45.100 -1.706 0.000 0.968 458 G HN 0.483 nan 8.290 nan 0.000 0.482 459 W N 1.356 122.331 121.300 -0.542 0.000 2.839 459 W HA 0.382 5.035 4.660 -0.012 0.000 0.334 459 W C 0.457 176.891 176.519 -0.141 0.000 1.064 459 W CA -0.624 56.564 57.345 -0.261 0.000 1.236 459 W CB 2.388 31.761 29.460 -0.145 0.000 1.405 459 W HN 0.826 nan 8.180 nan 0.000 0.478 460 T N -0.377 114.235 114.554 0.097 0.000 2.924 460 T HA 0.396 4.739 4.350 -0.012 0.000 0.301 460 T C 0.412 175.214 174.700 0.171 0.000 1.120 460 T CA -0.686 61.501 62.100 0.145 0.000 0.940 460 T CB 1.040 69.974 68.868 0.111 0.000 1.591 460 T HN 0.018 nan 8.240 nan 0.000 0.578 461 K N 0.782 121.267 120.400 0.141 0.000 2.295 461 K HA 0.635 4.948 4.320 -0.012 0.000 0.270 461 K C 0.587 177.257 176.600 0.117 0.000 1.011 461 K CA 0.359 56.720 56.287 0.123 0.000 0.953 461 K CB 0.582 33.139 32.500 0.094 0.000 0.956 461 K HN 1.114 nan 8.250 nan 0.000 0.477 462 G N 0.790 109.654 108.800 0.108 0.000 2.356 462 G HA2 -0.042 3.911 3.960 -0.012 0.000 0.288 462 G HA3 -0.042 3.911 3.960 -0.012 0.000 0.288 462 G C 0.255 175.201 174.900 0.077 0.000 1.302 462 G CA -0.817 44.339 45.100 0.093 0.000 0.887 462 G HN 0.459 nan 8.290 nan 0.000 0.521 463 R N -0.321 120.190 120.500 0.017 0.000 2.120 463 R HA -0.008 4.325 4.340 -0.012 0.000 0.234 463 R C 2.908 179.255 176.300 0.079 0.000 1.123 463 R CA 1.926 57.979 56.100 -0.078 0.000 0.975 463 R CB -0.319 29.709 30.300 -0.454 0.000 0.866 463 R HN 0.603 nan 8.270 nan 0.000 0.446 464 A N 0.927 123.913 122.820 0.277 0.000 2.014 464 A HA -0.108 4.205 4.320 -0.012 0.000 0.218 464 A C 1.993 179.742 177.584 0.274 0.000 1.163 464 A CA 0.601 52.884 52.037 0.409 0.000 0.652 464 A CB -0.301 19.022 19.000 0.539 0.000 0.808 464 A HN 0.231 nan 8.150 nan 0.000 0.449 465 L N -0.171 121.183 121.223 0.218 0.000 2.051 465 L HA -0.159 4.173 4.340 -0.012 0.000 0.214 465 L C 2.359 179.222 176.870 -0.011 0.000 1.076 465 L CA 2.223 57.107 54.840 0.072 0.000 0.758 465 L CB -0.536 41.611 42.059 0.147 0.000 0.890 465 L HN 0.201 nan 8.230 nan 0.000 0.433 466 V N -0.461 119.485 119.914 0.053 0.000 2.548 466 V HA -0.086 4.027 4.120 -0.012 0.000 0.249 466 V C 2.328 178.422 176.094 0.001 0.000 1.055 466 V CA 1.683 64.020 62.300 0.062 0.000 1.065 466 V CB -0.568 31.277 31.823 0.036 0.000 0.681 466 V HN 0.611 nan 8.190 nan 0.000 0.462 467 G N -0.491 108.296 108.800 -0.022 0.000 2.408 467 G HA2 -0.101 3.851 3.960 -0.012 0.000 0.217 467 G HA3 -0.101 3.851 3.960 -0.012 0.000 0.217 467 G C 1.576 176.345 174.900 -0.218 0.000 1.150 467 G CA 0.726 45.816 45.100 -0.018 0.000 0.776 467 G HN 0.643 nan 8.290 nan 0.000 0.542 468 G N 0.179 108.593 108.800 -0.643 0.000 2.440 468 G HA2 -0.229 3.724 3.960 -0.012 0.000 0.218 468 G HA3 -0.229 3.724 3.960 -0.012 0.000 0.218 468 G C 1.533 175.888 174.900 -0.909 0.000 1.154 468 G CA 1.255 45.426 45.100 -1.549 0.000 0.767 468 G HN 0.558 nan 8.290 nan 0.000 0.552 469 H N -0.050 118.771 119.070 -0.414 0.000 2.389 469 H HA 0.095 4.644 4.556 -0.012 0.000 0.299 469 H C 2.861 178.128 175.328 -0.101 0.000 1.081 469 H CA 1.142 57.076 56.048 -0.189 0.000 1.345 469 H CB 0.162 29.839 29.762 -0.142 0.000 1.393 469 H HN 0.125 nan 8.280 nan 0.000 0.520 470 R N 0.083 120.576 120.500 -0.011 0.000 2.096 470 R HA -0.097 4.236 4.340 -0.012 0.000 0.235 470 R C 2.118 178.419 176.300 0.002 0.000 1.127 470 R CA 0.718 56.825 56.100 0.012 0.000 0.968 470 R CB -0.632 29.683 30.300 0.026 0.000 0.861 470 R HN 0.271 nan 8.270 nan 0.000 0.440 471 L N 0.460 121.657 121.223 -0.044 0.000 2.027 471 L HA -0.120 4.213 4.340 -0.012 0.000 0.206 471 L C 2.101 179.011 176.870 0.068 0.000 1.074 471 L CA 1.600 56.419 54.840 -0.035 0.000 0.745 471 L CB -0.894 41.148 42.059 -0.029 0.000 0.898 471 L HN -0.009 nan 8.230 nan 0.000 0.433 472 F N 0.793 120.650 119.950 -0.155 0.000 2.161 472 F HA -0.197 4.322 4.527 -0.012 0.000 0.300 472 F C 2.487 178.291 175.800 0.007 0.000 1.089 472 F CA 1.879 59.830 58.000 -0.080 0.000 1.282 472 F CB -0.570 38.328 39.000 -0.170 0.000 1.010 472 F HN 0.308 nan 8.300 nan 0.000 0.485 473 E N 0.101 120.349 120.200 0.078 0.000 2.106 473 E HA -0.224 4.119 4.350 -0.012 0.000 0.192 473 E C 2.409 179.002 176.600 -0.012 0.000 0.984 473 E CA 1.440 57.839 56.400 -0.002 0.000 0.806 473 E CB -0.528 29.184 29.700 0.019 0.000 0.750 473 E HN 0.481 nan 8.360 nan 0.000 0.458 474 M N -0.463 119.148 119.600 0.018 0.000 2.117 474 M HA -0.144 4.329 4.480 -0.012 0.000 0.262 474 M C 1.755 178.081 176.300 0.044 0.000 1.065 474 M CA 1.320 56.626 55.300 0.009 0.000 1.114 474 M CB -0.032 32.548 32.600 -0.033 0.000 1.361 474 M HN 0.190 nan 8.290 nan 0.000 0.408 475 L N 0.201 121.487 121.223 0.105 0.000 2.005 475 L HA -0.238 4.095 4.340 -0.012 0.000 0.207 475 L C 2.605 179.585 176.870 0.183 0.000 1.072 475 L CA 1.652 56.622 54.840 0.217 0.000 0.744 475 L CB -0.795 41.484 42.059 0.368 0.000 0.895 475 L HN 0.345 nan 8.230 nan 0.000 0.433 476 K N 0.305 120.653 120.400 -0.088 0.000 2.074 476 K HA -0.295 4.018 4.320 -0.012 0.000 0.209 476 K C 2.036 178.578 176.600 -0.097 0.000 1.048 476 K CA 1.969 58.043 56.287 -0.354 0.000 0.926 476 K CB 0.002 32.105 32.500 -0.662 0.000 0.713 476 K HN 0.101 nan 8.250 nan 0.000 0.444 477 E N -0.312 119.853 120.200 -0.059 0.000 2.058 477 E HA -0.120 4.223 4.350 -0.012 0.000 0.194 477 E C 0.924 177.548 176.600 0.040 0.000 0.997 477 E CA 1.653 58.041 56.400 -0.021 0.000 0.801 477 E CB -0.322 29.371 29.700 -0.012 0.000 0.746 477 E HN 0.547 nan 8.360 nan 0.000 0.450 478 G N -0.074 108.778 108.800 0.086 0.000 2.198 478 G HA2 -0.381 3.572 3.960 -0.012 0.000 0.260 478 G HA3 -0.381 3.572 3.960 -0.012 0.000 0.260 478 G C 0.676 175.616 174.900 0.066 0.000 1.025 478 G CA 0.957 46.123 45.100 0.109 0.000 0.769 478 G HN 0.397 nan 8.290 nan 0.000 0.507 479 K N -1.413 119.016 120.400 0.048 0.000 2.313 479 K HA 0.379 4.692 4.320 -0.012 0.000 0.197 479 K C 0.656 177.278 176.600 0.037 0.000 1.061 479 K CA 0.711 57.019 56.287 0.036 0.000 0.980 479 K CB 1.059 33.575 32.500 0.026 0.000 0.888 479 K HN 0.287 nan 8.250 nan 0.000 0.502 480 V N 2.419 122.357 119.914 0.040 0.000 2.487 480 V HA 0.167 4.280 4.120 -0.012 0.000 0.298 480 V C -0.729 175.391 176.094 0.045 0.000 1.028 480 V CA -1.315 61.010 62.300 0.040 0.000 0.860 480 V CB 1.458 33.306 31.823 0.043 0.000 0.991 480 V HN 0.160 nan 8.190 nan 0.000 0.427 481 N N 7.039 125.764 118.700 0.043 0.000 2.452 481 N HA 0.180 4.913 4.740 -0.012 0.000 0.266 481 N C -1.070 174.479 175.510 0.064 0.000 1.209 481 N CA -1.644 51.434 53.050 0.047 0.000 0.929 481 N CB 1.283 39.785 38.487 0.025 0.000 1.063 481 N HN 0.412 nan 8.380 nan 0.000 0.472 482 P HA -0.019 nan 4.420 nan 0.000 0.242 482 P C -0.367 177.076 177.300 0.238 0.000 1.197 482 P CA 0.403 63.547 63.100 0.073 0.000 0.765 482 P CB 0.385 32.038 31.700 -0.078 0.000 0.936 483 S N 0.640 116.421 115.700 0.135 0.000 2.548 483 S HA 0.528 4.991 4.470 -0.012 0.000 0.286 483 S C -2.335 172.239 174.600 -0.042 0.000 1.098 483 S CA -1.680 56.575 58.200 0.091 0.000 0.930 483 S CB 2.002 65.290 63.200 0.147 0.000 1.070 483 S HN -0.174 nan 8.310 nan 0.000 0.480 484 P HA 0.170 nan 4.420 nan 0.000 0.257 484 P C 0.184 177.266 177.300 -0.362 0.000 1.241 484 P CA 0.289 63.179 63.100 -0.350 0.000 0.816 484 P CB 0.044 31.433 31.700 -0.518 0.000 1.150 485 Y N -0.747 119.627 120.300 0.124 0.000 2.389 485 Y HA 0.276 4.819 4.550 -0.012 0.000 0.292 485 Y C 1.683 177.603 175.900 0.032 0.000 1.117 485 Y CA 0.567 58.758 58.100 0.150 0.000 1.195 485 Y CB -0.038 38.569 38.460 0.245 0.000 1.076 485 Y HN -0.145 nan 8.280 nan 0.000 0.548 486 M N -0.559 119.111 119.600 0.116 0.000 2.664 486 M HA 0.298 4.771 4.480 -0.012 0.000 0.279 486 M C -0.918 175.326 176.300 -0.094 0.000 1.275 486 M CA -0.970 54.299 55.300 -0.051 0.000 0.829 486 M CB 1.819 34.439 32.600 0.033 0.000 1.727 486 M HN -0.280 nan 8.290 nan 0.000 0.459 487 K N 2.105 122.375 120.400 -0.217 0.000 2.273 487 K HA 0.473 4.786 4.320 -0.012 0.000 0.287 487 K C -0.770 175.841 176.600 0.018 0.000 1.089 487 K CA -0.218 55.994 56.287 -0.124 0.000 0.909 487 K CB 0.306 32.683 32.500 -0.204 0.000 1.123 487 K HN 0.427 nan 8.250 nan 0.000 0.473 488 I N 2.069 122.687 120.570 0.080 0.000 2.460 488 I HA 0.254 4.416 4.170 -0.012 0.000 0.298 488 I C 0.833 177.039 176.117 0.149 0.000 0.989 488 I CA -0.354 61.041 61.300 0.159 0.000 1.173 488 I CB 1.448 39.580 38.000 0.220 0.000 1.338 488 I HN 0.560 nan 8.210 nan 0.000 0.456 489 S N 5.002 120.800 115.700 0.165 0.000 2.840 489 S HA 0.689 5.152 4.470 -0.012 0.000 0.307 489 S C -0.994 173.737 174.600 0.219 0.000 1.180 489 S CA -0.770 57.526 58.200 0.160 0.000 0.846 489 S CB 1.784 65.013 63.200 0.047 0.000 1.233 489 S HN 0.449 nan 8.310 nan 0.000 0.548 490 Y N 0.021 120.434 120.300 0.187 0.000 2.387 490 Y HA 0.721 5.264 4.550 -0.012 0.000 0.330 490 Y C 0.024 176.048 175.900 0.206 0.000 1.133 490 Y CA -1.057 57.176 58.100 0.221 0.000 1.152 490 Y CB 0.565 39.215 38.460 0.317 0.000 1.215 490 Y HN 0.891 nan 8.280 nan 0.000 0.466 491 E N 1.945 122.243 120.200 0.165 0.000 2.324 491 E HA -0.009 4.334 4.350 -0.012 0.000 0.271 491 E C -1.071 175.614 176.600 0.142 0.000 1.028 491 E CA -0.441 56.016 56.400 0.095 0.000 0.890 491 E CB 0.234 30.030 29.700 0.160 0.000 1.004 491 E HN 0.845 nan 8.360 nan 0.000 0.431 492 H N 4.073 123.115 119.070 -0.047 0.000 3.205 492 H HA 0.273 4.822 4.556 -0.012 0.000 0.262 492 H C 0.002 175.407 175.328 0.128 0.000 1.333 492 H CA 1.219 57.309 56.048 0.070 0.000 1.499 492 H CB -0.255 29.502 29.762 -0.008 0.000 1.609 492 H HN 0.719 nan 8.280 nan 0.000 0.498 493 G N 3.563 112.347 108.800 -0.027 0.000 2.943 493 G HA2 -0.105 3.848 3.960 -0.012 0.000 0.250 493 G HA3 -0.105 3.848 3.960 -0.012 0.000 0.250 493 G C 0.420 175.393 174.900 0.122 0.000 0.996 493 G CA -0.462 44.640 45.100 0.002 0.000 1.248 493 G HN 0.945 nan 8.290 nan 0.000 0.589 494 G N -0.057 108.862 108.800 0.199 0.000 2.225 494 G HA2 0.673 4.625 3.960 -0.012 0.000 0.245 494 G HA3 0.673 4.625 3.960 -0.012 0.000 0.245 494 G C 0.539 175.568 174.900 0.215 0.000 1.249 494 G CA 0.961 46.198 45.100 0.229 0.000 0.919 494 G HN 2.012 nan 8.290 nan 0.000 0.486 495 A N 1.875 124.831 122.820 0.227 0.000 2.594 495 A HA 0.815 5.127 4.320 -0.012 0.000 0.291 495 A C -1.680 176.090 177.584 0.310 0.000 1.105 495 A CA -0.685 51.502 52.037 0.251 0.000 0.694 495 A CB 1.879 20.970 19.000 0.152 0.000 1.291 495 A HN 1.241 nan 8.150 nan 0.000 0.410 496 F N 1.222 121.208 119.950 0.061 0.000 2.617 496 F HA 0.550 5.070 4.527 -0.012 0.000 0.325 496 F C -0.275 175.420 175.800 -0.175 0.000 1.179 496 F CA -0.991 56.965 58.000 -0.073 0.000 0.965 496 F CB 1.339 40.261 39.000 -0.131 0.000 1.232 496 F HN 0.449 nan 8.300 nan 0.000 0.461 497 L N 5.978 126.767 121.223 -0.723 0.000 3.739 497 L HA -0.131 4.202 4.340 -0.012 0.000 0.442 497 L C 1.177 177.818 176.870 -0.382 0.000 1.241 497 L CA 1.632 56.083 54.840 -0.649 0.000 0.819 497 L CB -1.565 39.915 42.059 -0.965 0.000 1.679 497 L HN 1.292 nan 8.230 nan 0.000 0.889 498 G N -2.336 106.333 108.800 -0.218 0.000 2.268 498 G HA2 -0.232 3.721 3.960 -0.012 0.000 0.240 498 G HA3 -0.232 3.721 3.960 -0.012 0.000 0.240 498 G C 0.179 175.044 174.900 -0.058 0.000 1.010 498 G CA 0.174 45.201 45.100 -0.122 0.000 0.618 498 G HN 0.466 nan 8.290 nan 0.000 0.516 499 D N 0.849 121.202 120.400 -0.079 0.000 2.232 499 D HA 0.542 5.174 4.640 -0.012 0.000 0.242 499 D C 0.577 177.009 176.300 0.220 0.000 1.093 499 D CA -0.265 53.754 54.000 0.031 0.000 0.845 499 D CB 1.514 42.259 40.800 -0.091 0.000 1.124 499 D HN 0.310 nan 8.370 nan 0.000 0.467 500 I N 1.930 122.631 120.570 0.218 0.000 2.474 500 I HA 0.004 4.166 4.170 -0.012 0.000 0.287 500 I C 0.215 176.458 176.117 0.210 0.000 1.048 500 I CA -0.717 60.708 61.300 0.208 0.000 1.383 500 I CB 1.031 39.105 38.000 0.123 0.000 1.412 500 I HN 0.085 nan 8.210 nan 0.000 0.531 501 L N 8.175 129.443 121.223 0.076 0.000 2.312 501 L HA 0.273 4.606 4.340 -0.012 0.000 0.287 501 L C -0.599 176.107 176.870 -0.273 0.000 1.091 501 L CA -0.147 54.466 54.840 -0.379 0.000 0.846 501 L CB 0.512 42.266 42.059 -0.508 0.000 1.219 501 L HN 0.405 nan 8.230 nan 0.000 0.439 502 L N 6.168 127.243 121.223 -0.247 0.000 2.278 502 L HA 0.378 4.711 4.340 -0.012 0.000 0.287 502 L C -1.025 175.741 176.870 -0.173 0.000 1.072 502 L CA 0.255 55.037 54.840 -0.096 0.000 0.819 502 L CB 0.237 42.280 42.059 -0.027 0.000 1.176 502 L HN 0.450 nan 8.230 nan 0.000 0.435 503 Y N 2.898 123.221 120.300 0.038 0.000 2.352 503 Y HA 0.370 4.913 4.550 -0.012 0.000 0.326 503 Y C 0.410 176.363 175.900 0.089 0.000 1.166 503 Y CA -0.571 57.558 58.100 0.047 0.000 1.182 503 Y CB 1.101 39.608 38.460 0.077 0.000 1.216 503 Y HN 0.764 nan 8.280 nan 0.000 0.474 504 D N -1.347 119.182 120.400 0.215 0.000 2.530 504 D HA 0.126 4.758 4.640 -0.012 0.000 0.282 504 D C 1.163 177.531 176.300 0.113 0.000 1.204 504 D CA -0.068 54.020 54.000 0.146 0.000 1.093 504 D CB -0.145 40.708 40.800 0.089 0.000 1.154 504 D HN 0.371 nan 8.370 nan 0.000 0.593 505 S N -1.246 114.486 115.700 0.054 0.000 2.440 505 S HA -0.191 4.271 4.470 -0.012 0.000 0.238 505 S C 1.682 176.277 174.600 -0.007 0.000 1.010 505 S CA 0.647 58.845 58.200 -0.004 0.000 0.972 505 S CB -0.505 62.692 63.200 -0.006 0.000 0.774 505 S HN 0.430 nan 8.310 nan 0.000 0.501 506 R N 0.406 120.923 120.500 0.029 0.000 2.200 506 R HA 0.234 4.567 4.340 -0.012 0.000 0.208 506 R C 0.097 176.411 176.300 0.024 0.000 1.033 506 R CA 0.153 56.268 56.100 0.025 0.000 1.000 506 R CB -0.031 30.296 30.300 0.044 0.000 0.906 506 R HN 0.132 nan 8.270 nan 0.000 0.462 507 R N 1.379 121.915 120.500 0.061 0.000 3.336 507 R HA -0.161 4.172 4.340 -0.012 0.000 0.260 507 R C -1.241 175.083 176.300 0.040 0.000 1.032 507 R CA 0.935 57.016 56.100 -0.031 0.000 0.693 507 R CB -2.389 27.803 30.300 -0.181 0.000 1.134 507 R HN 0.514 nan 8.270 nan 0.000 0.433 508 E N -0.821 119.548 120.200 0.281 0.000 2.293 508 E HA 0.267 4.610 4.350 -0.012 0.000 0.270 508 E C -1.977 174.822 176.600 0.333 0.000 0.879 508 E CA -2.258 54.304 56.400 0.272 0.000 0.756 508 E CB 1.844 31.633 29.700 0.148 0.000 1.208 508 E HN -0.241 nan 8.360 nan 0.000 0.428 509 P HA -0.213 nan 4.420 nan 0.000 0.216 509 P C 1.364 178.650 177.300 -0.024 0.000 1.153 509 P CA 1.569 64.722 63.100 0.088 0.000 0.858 509 P CB 0.132 31.936 31.700 0.175 0.000 0.789 510 G N -0.187 108.641 108.800 0.047 0.000 2.469 510 G HA2 -0.263 3.689 3.960 -0.012 0.000 0.219 510 G HA3 -0.263 3.689 3.960 -0.012 0.000 0.219 510 G C 1.317 176.207 174.900 -0.017 0.000 1.150 510 G CA 1.385 46.494 45.100 0.015 0.000 0.763 510 G HN 0.456 nan 8.290 nan 0.000 0.561 511 S N -0.400 115.302 115.700 0.004 0.000 2.583 511 S HA 0.727 5.190 4.470 -0.012 0.000 0.239 511 S C 0.566 175.135 174.600 -0.052 0.000 0.966 511 S CA 0.154 58.349 58.200 -0.007 0.000 0.973 511 S CB 0.459 63.678 63.200 0.032 0.000 0.794 511 S HN 0.595 nan 8.310 nan 0.000 0.463 512 A N 1.857 124.580 122.820 -0.161 0.000 2.281 512 A HA 0.903 5.216 4.320 -0.012 0.000 0.329 512 A C -0.150 177.232 177.584 -0.337 0.000 1.122 512 A CA -1.134 50.698 52.037 -0.342 0.000 0.850 512 A CB 0.700 19.236 19.000 -0.773 0.000 1.207 512 A HN 0.915 nan 8.150 nan 0.000 0.495 513 I N -3.095 117.265 120.570 -0.351 0.000 2.894 513 I HA 0.646 4.808 4.170 -0.012 0.000 0.302 513 I C -1.509 174.435 176.117 -0.289 0.000 1.188 513 I CA -0.822 60.322 61.300 -0.260 0.000 1.014 513 I CB 2.117 40.052 38.000 -0.109 0.000 1.242 513 I HN 0.485 nan 8.210 nan 0.000 0.430 514 F N 4.492 124.373 119.950 -0.116 0.000 2.404 514 F HA 0.557 5.077 4.527 -0.012 0.000 0.358 514 F C 0.360 176.122 175.800 -0.064 0.000 1.120 514 F CA -0.635 57.311 58.000 -0.089 0.000 1.144 514 F CB 1.779 40.728 39.000 -0.085 0.000 1.133 514 F HN 0.407 nan 8.300 nan 0.000 0.495 515 V N 1.490 121.500 119.914 0.161 0.000 2.864 515 V HA 0.867 4.980 4.120 -0.012 0.000 0.314 515 V C 0.292 176.440 176.094 0.090 0.000 1.073 515 V CA -0.987 61.365 62.300 0.087 0.000 0.956 515 V CB 1.094 32.955 31.823 0.062 0.000 1.023 515 V HN 0.756 nan 8.190 nan 0.000 0.435 516 G N 1.309 110.134 108.800 0.043 0.000 2.630 516 G HA2 0.131 4.084 3.960 -0.012 0.000 0.236 516 G HA3 0.131 4.084 3.960 -0.012 0.000 0.236 516 G C -0.027 174.988 174.900 0.192 0.000 1.248 516 G CA -0.209 44.918 45.100 0.044 0.000 0.844 516 G HN 0.979 nan 8.290 nan 0.000 0.588 517 N N 0.898 119.743 118.700 0.241 0.000 2.437 517 N HA 0.064 4.797 4.740 -0.012 0.000 0.243 517 N C 1.207 176.907 175.510 0.316 0.000 1.041 517 N CA -0.749 52.436 53.050 0.224 0.000 0.940 517 N CB 1.061 39.640 38.487 0.154 0.000 1.133 517 N HN 0.260 nan 8.380 nan 0.000 0.506 518 I N 4.324 125.044 120.570 0.249 0.000 2.361 518 I HA -0.177 3.986 4.170 -0.012 0.000 0.251 518 I C 1.692 177.890 176.117 0.135 0.000 1.133 518 I CA 1.174 62.587 61.300 0.188 0.000 1.413 518 I CB -0.428 37.686 38.000 0.190 0.000 1.073 518 I HN 0.616 nan 8.210 nan 0.000 0.424 519 N N -0.417 118.372 118.700 0.148 0.000 2.289 519 N HA -0.148 4.585 4.740 -0.012 0.000 0.184 519 N C 1.839 177.409 175.510 0.100 0.000 1.016 519 N CA 1.519 54.641 53.050 0.120 0.000 0.872 519 N CB -0.048 38.412 38.487 -0.045 0.000 0.973 519 N HN 0.326 nan 8.380 nan 0.000 0.433 520 S N -0.212 115.552 115.700 0.107 0.000 2.406 520 S HA -0.062 4.400 4.470 -0.012 0.000 0.228 520 S C 1.793 176.421 174.600 0.047 0.000 1.020 520 S CA 0.652 58.927 58.200 0.125 0.000 0.965 520 S CB -0.201 63.135 63.200 0.225 0.000 0.798 520 S HN 0.446 nan 8.310 nan 0.000 0.488 521 M N 1.226 120.679 119.600 -0.244 0.000 2.086 521 M HA -0.073 4.400 4.480 -0.012 0.000 0.261 521 M C 1.747 177.952 176.300 -0.159 0.000 1.067 521 M CA 1.504 56.450 55.300 -0.590 0.000 1.116 521 M CB -0.294 31.606 32.600 -1.166 0.000 1.348 521 M HN 0.269 nan 8.290 nan 0.000 0.407 522 L N 0.456 121.681 121.223 0.003 0.000 2.042 522 L HA -0.284 4.049 4.340 -0.012 0.000 0.210 522 L C 2.168 179.161 176.870 0.204 0.000 1.076 522 L CA 1.215 56.176 54.840 0.202 0.000 0.749 522 L CB -1.186 41.077 42.059 0.340 0.000 0.893 522 L HN 0.384 nan 8.230 nan 0.000 0.432 523 N N 0.347 119.144 118.700 0.161 0.000 2.084 523 N HA -0.188 4.545 4.740 -0.012 0.000 0.190 523 N C 1.548 177.138 175.510 0.132 0.000 1.030 523 N CA 1.492 54.637 53.050 0.159 0.000 0.849 523 N CB -0.658 37.896 38.487 0.112 0.000 1.012 523 N HN 0.438 nan 8.380 nan 0.000 0.423 524 N N 0.545 119.304 118.700 0.100 0.000 2.166 524 N HA -0.102 4.630 4.740 -0.012 0.000 0.186 524 N C 1.575 177.135 175.510 0.084 0.000 1.019 524 N CA 0.719 53.836 53.050 0.112 0.000 0.856 524 N CB 0.008 38.586 38.487 0.152 0.000 0.993 524 N HN 0.420 nan 8.380 nan 0.000 0.426 525 Q N -0.571 119.209 119.800 -0.034 0.000 2.163 525 Q HA 0.039 4.372 4.340 -0.012 0.000 0.198 525 Q C 0.811 176.736 176.000 -0.126 0.000 0.954 525 Q CA 0.919 56.628 55.803 -0.157 0.000 0.851 525 Q CB 0.266 28.662 28.738 -0.570 0.000 0.928 525 Q HN 0.390 nan 8.270 nan 0.000 0.459 526 F N -1.306 118.920 119.950 0.460 0.000 2.704 526 F HA 0.235 4.755 4.527 -0.012 0.000 0.304 526 F C 0.480 176.585 175.800 0.508 0.000 1.094 526 F CA -0.298 58.072 58.000 0.616 0.000 1.275 526 F CB 1.201 40.539 39.000 0.562 0.000 1.073 526 F HN -0.279 nan 8.300 nan 0.000 0.586 527 S N 1.572 117.517 115.700 0.408 0.000 2.300 527 S HA 0.221 4.684 4.470 -0.012 0.000 0.172 527 S C -2.574 172.128 174.600 0.169 0.000 1.484 527 S CA -0.952 57.431 58.200 0.304 0.000 1.265 527 S CB 0.386 63.751 63.200 0.275 0.000 1.313 527 S HN -0.129 nan 8.310 nan 0.000 0.387 528 P HA 0.206 nan 4.420 nan 0.000 0.272 528 P C 0.150 177.458 177.300 0.013 0.000 1.240 528 P CA -0.161 62.977 63.100 0.063 0.000 0.791 528 P CB 1.030 32.736 31.700 0.011 0.000 0.978 529 E N -0.316 119.860 120.200 -0.040 0.000 2.435 529 E HA -0.024 4.319 4.350 -0.012 0.000 0.195 529 E C -0.221 176.047 176.600 -0.553 0.000 1.029 529 E CA 0.852 57.069 56.400 -0.304 0.000 0.865 529 E CB -0.116 29.332 29.700 -0.419 0.000 0.833 529 E HN 0.500 nan 8.360 nan 0.000 0.510 530 Y N -0.950 119.344 120.300 -0.010 0.000 2.588 530 Y HA 0.496 5.039 4.550 -0.012 0.000 0.343 530 Y C 0.713 176.578 175.900 -0.058 0.000 1.065 530 Y CA -1.265 56.815 58.100 -0.033 0.000 1.038 530 Y CB 1.144 39.584 38.460 -0.032 0.000 1.297 530 Y HN -0.177 nan 8.280 nan 0.000 0.467 531 G N -0.026 108.838 108.800 0.107 0.000 2.563 531 G HA2 0.377 4.330 3.960 -0.012 0.000 0.283 531 G HA3 0.377 4.330 3.960 -0.012 0.000 0.283 531 G C 0.752 175.651 174.900 -0.001 0.000 1.309 531 G CA -0.180 44.926 45.100 0.010 0.000 1.022 531 G HN 0.851 nan 8.290 nan 0.000 0.501 532 V N -3.132 116.761 119.914 -0.035 0.000 3.380 532 V HA 0.085 4.198 4.120 -0.012 0.000 0.268 532 V C 0.961 177.023 176.094 -0.054 0.000 1.168 532 V CA 1.281 63.556 62.300 -0.042 0.000 1.156 532 V CB -1.469 30.340 31.823 -0.023 0.000 0.785 532 V HN 0.772 nan 8.190 nan 0.000 0.487 533 Q N 1.105 120.881 119.800 -0.040 0.000 2.439 533 Q HA -0.223 4.110 4.340 -0.012 0.000 0.325 533 Q C 1.283 177.252 176.000 -0.052 0.000 1.372 533 Q CA 0.591 56.366 55.803 -0.047 0.000 0.909 533 Q CB -1.844 26.853 28.738 -0.069 0.000 1.167 533 Q HN 0.961 nan 8.270 nan 0.000 0.418 534 S N -2.100 113.578 115.700 -0.037 0.000 2.547 534 S HA -0.041 4.422 4.470 -0.012 0.000 0.235 534 S C 1.673 176.257 174.600 -0.027 0.000 0.980 534 S CA 0.517 58.697 58.200 -0.033 0.000 0.941 534 S CB 0.233 63.423 63.200 -0.017 0.000 0.763 534 S HN 0.679 nan 8.310 nan 0.000 0.532 535 G N 1.073 109.857 108.800 -0.027 0.000 2.623 535 G HA2 0.160 4.112 3.960 -0.012 0.000 0.214 535 G HA3 0.160 4.112 3.960 -0.012 0.000 0.214 535 G C 0.327 175.212 174.900 -0.024 0.000 1.138 535 G CA -0.095 44.993 45.100 -0.021 0.000 0.794 535 G HN 0.443 nan 8.290 nan 0.000 0.535 536 V N 2.509 122.401 119.914 -0.037 0.000 2.372 536 V HA 0.193 4.305 4.120 -0.012 0.000 0.261 536 V C 1.284 177.359 176.094 -0.033 0.000 1.055 536 V CA -0.770 61.506 62.300 -0.040 0.000 0.930 536 V CB 1.073 32.858 31.823 -0.064 0.000 1.031 536 V HN 0.176 nan 8.190 nan 0.000 0.479 537 R N 2.222 122.716 120.500 -0.010 0.000 2.070 537 R HA -0.065 4.268 4.340 -0.012 0.000 0.233 537 R C 0.993 177.323 176.300 0.050 0.000 1.137 537 R CA 0.844 56.953 56.100 0.015 0.000 0.945 537 R CB -0.404 29.905 30.300 0.016 0.000 0.845 537 R HN 0.724 nan 8.270 nan 0.000 0.430 538 D N 1.592 122.022 120.400 0.049 0.000 2.383 538 D HA 0.012 4.645 4.640 -0.012 0.000 0.245 538 D C 0.761 177.061 176.300 -0.001 0.000 1.263 538 D CA 0.058 54.124 54.000 0.111 0.000 0.936 538 D CB 0.407 41.257 40.800 0.082 0.000 1.053 538 D HN 0.047 nan 8.370 nan 0.000 0.507 539 R N 1.403 121.858 120.500 -0.074 0.000 2.117 539 R HA -0.164 4.169 4.340 -0.012 0.000 0.243 539 R C 2.187 178.209 176.300 -0.462 0.000 1.143 539 R CA 1.535 57.383 56.100 -0.420 0.000 0.968 539 R CB -0.297 29.524 30.300 -0.798 0.000 0.863 539 R HN 0.452 nan 8.270 nan 0.000 0.444 540 S N 0.986 116.465 115.700 -0.369 0.000 2.440 540 S HA -0.131 4.331 4.470 -0.012 0.000 0.238 540 S C 1.590 176.104 174.600 -0.142 0.000 1.010 540 S CA 1.082 59.157 58.200 -0.207 0.000 0.972 540 S CB -0.046 63.135 63.200 -0.033 0.000 0.774 540 S HN 0.308 nan 8.310 nan 0.000 0.501 541 K N 0.447 120.772 120.400 -0.126 0.000 2.393 541 K HA 0.194 4.507 4.320 -0.012 0.000 0.193 541 K C 0.684 177.196 176.600 -0.146 0.000 1.026 541 K CA -0.068 56.154 56.287 -0.109 0.000 1.064 541 K CB 0.212 32.671 32.500 -0.069 0.000 0.833 541 K HN 0.409 nan 8.250 nan 0.000 0.521 542 R N 0.815 121.201 120.500 -0.191 0.000 2.637 542 R HA 0.127 4.460 4.340 -0.012 0.000 0.269 542 R C 1.111 177.268 176.300 -0.239 0.000 1.089 542 R CA -0.377 55.598 56.100 -0.209 0.000 1.177 542 R CB 0.441 30.603 30.300 -0.230 0.000 1.091 542 R HN -0.172 nan 8.270 nan 0.000 0.540 543 K N 1.434 121.655 120.400 -0.297 0.000 2.228 543 K HA -0.038 4.275 4.320 -0.012 0.000 0.202 543 K C 0.383 176.850 176.600 -0.221 0.000 1.051 543 K CA 1.209 57.254 56.287 -0.405 0.000 0.960 543 K CB 0.176 32.128 32.500 -0.913 0.000 0.743 543 K HN 0.400 nan 8.250 nan 0.000 0.458 544 R N 0.530 120.931 120.500 -0.165 0.000 2.494 544 R HA 0.175 4.508 4.340 -0.012 0.000 0.284 544 R C -2.191 173.994 176.300 -0.192 0.000 1.525 544 R CA -1.380 54.662 56.100 -0.096 0.000 1.460 544 R CB 1.187 31.470 30.300 -0.029 0.000 1.134 544 R HN -0.122 nan 8.270 nan 0.000 0.592 545 P HA -0.129 nan 4.420 nan 0.000 0.215 545 P C -0.301 176.378 177.300 -1.035 0.000 1.153 545 P CA 1.281 63.989 63.100 -0.652 0.000 0.853 545 P CB 0.275 31.649 31.700 -0.544 0.000 0.788 546 F N -3.579 116.323 119.950 -0.079 0.000 2.794 546 F HA 0.340 4.859 4.527 -0.012 0.000 0.353 546 F C -1.951 173.847 175.800 -0.003 0.000 1.371 546 F CA -1.966 56.003 58.000 -0.052 0.000 1.173 546 F CB 1.073 40.033 39.000 -0.067 0.000 1.693 546 F HN -0.124 nan 8.300 nan 0.000 0.606 547 P HA -0.194 nan 4.420 nan 0.000 0.217 547 P C 1.951 179.340 177.300 0.149 0.000 1.151 547 P CA 1.871 65.063 63.100 0.154 0.000 0.849 547 P CB 0.264 32.073 31.700 0.181 0.000 0.787 548 G N -0.132 108.720 108.800 0.087 0.000 2.442 548 G HA2 -0.241 3.712 3.960 -0.012 0.000 0.219 548 G HA3 -0.241 3.712 3.960 -0.012 0.000 0.219 548 G C 1.408 176.352 174.900 0.072 0.000 1.141 548 G CA 0.506 45.608 45.100 0.004 0.000 0.763 548 G HN 0.249 nan 8.290 nan 0.000 0.554 549 L N 0.675 121.963 121.223 0.109 0.000 2.261 549 L HA -0.111 4.222 4.340 -0.012 0.000 0.216 549 L C 3.258 180.205 176.870 0.127 0.000 1.114 549 L CA 0.769 55.666 54.840 0.095 0.000 0.777 549 L CB -0.474 41.624 42.059 0.064 0.000 0.910 549 L HN 0.317 nan 8.230 nan 0.000 0.440 550 A N -0.541 122.379 122.820 0.167 0.000 2.070 550 A HA -0.241 4.072 4.320 -0.012 0.000 0.220 550 A C 2.154 179.873 177.584 0.226 0.000 1.159 550 A CA 0.906 53.059 52.037 0.194 0.000 0.656 550 A CB -0.776 18.360 19.000 0.226 0.000 0.800 550 A HN 0.693 nan 8.150 nan 0.000 0.453 551 W N 0.492 121.793 121.300 0.002 0.000 2.388 551 W HA -0.122 4.531 4.660 -0.012 0.000 0.294 551 W C 2.188 178.714 176.519 0.012 0.000 1.212 551 W CA 1.280 58.614 57.345 -0.017 0.000 1.271 551 W CB -0.061 29.332 29.460 -0.112 0.000 1.126 551 W HN 0.437 nan 8.180 nan 0.000 0.535 552 A N 0.288 123.183 122.820 0.124 0.000 2.019 552 A HA -0.197 4.116 4.320 -0.012 0.000 0.219 552 A C 1.882 179.445 177.584 -0.035 0.000 1.164 552 A CA 2.146 54.197 52.037 0.022 0.000 0.644 552 A CB -0.884 18.138 19.000 0.035 0.000 0.805 552 A HN 0.311 nan 8.150 nan 0.000 0.449 553 S N -1.723 113.972 115.700 -0.008 0.000 2.539 553 S HA 0.145 4.608 4.470 -0.012 0.000 0.221 553 S C 1.667 176.265 174.600 -0.003 0.000 0.987 553 S CA 0.559 58.748 58.200 -0.018 0.000 0.929 553 S CB -0.382 62.820 63.200 0.004 0.000 0.832 553 S HN 0.521 nan 8.310 nan 0.000 0.492 554 M N 1.878 121.480 119.600 0.004 0.000 2.088 554 M HA -0.225 4.248 4.480 -0.012 0.000 0.256 554 M C 2.147 178.513 176.300 0.110 0.000 1.071 554 M CA 2.155 57.523 55.300 0.113 0.000 1.097 554 M CB -0.231 32.296 32.600 -0.123 0.000 1.315 554 M HN 0.289 nan 8.290 nan 0.000 0.406 555 K N 0.654 121.026 120.400 -0.047 0.000 2.009 555 K HA -0.217 4.096 4.320 -0.012 0.000 0.210 555 K C 1.811 178.276 176.600 -0.226 0.000 1.049 555 K CA 2.268 58.445 56.287 -0.183 0.000 0.929 555 K CB -0.705 31.717 32.500 -0.130 0.000 0.714 555 K HN 0.509 nan 8.250 nan 0.000 0.440 556 D N -1.041 119.270 120.400 -0.147 0.000 2.149 556 D HA -0.140 4.493 4.640 -0.012 0.000 0.198 556 D C 1.226 177.421 176.300 -0.175 0.000 0.990 556 D CA 1.597 55.510 54.000 -0.145 0.000 0.839 556 D CB 0.217 40.949 40.800 -0.113 0.000 0.948 556 D HN 0.318 nan 8.370 nan 0.000 0.460 557 T N -1.237 113.197 114.554 -0.200 0.000 2.894 557 T HA -0.070 4.272 4.350 -0.012 0.000 0.258 557 T C 1.111 175.476 174.700 -0.558 0.000 1.043 557 T CA 0.799 62.655 62.100 -0.408 0.000 1.141 557 T CB -0.072 68.427 68.868 -0.614 0.000 0.873 557 T HN 0.245 nan 8.240 nan 0.000 0.449 558 Y N -0.086 120.165 120.300 -0.082 0.000 2.500 558 Y HA 0.429 4.972 4.550 -0.012 0.000 0.246 558 Y C 2.319 177.998 175.900 -0.368 0.000 1.146 558 Y CA -0.740 57.319 58.100 -0.068 0.000 1.230 558 Y CB -0.123 38.428 38.460 0.153 0.000 1.214 558 Y HN 0.188 nan 8.280 nan 0.000 0.526 559 G N 0.584 109.019 108.800 -0.609 0.000 2.479 559 G HA2 -0.219 3.734 3.960 -0.012 0.000 0.220 559 G HA3 -0.219 3.734 3.960 -0.012 0.000 0.220 559 G C 1.639 176.294 174.900 -0.409 0.000 1.115 559 G CA 1.052 45.564 45.100 -0.980 0.000 0.757 559 G HN 0.432 nan 8.290 nan 0.000 0.560 560 A N -0.845 121.857 122.820 -0.197 0.000 2.218 560 A HA 0.250 4.562 4.320 -0.012 0.000 0.209 560 A C 1.347 178.929 177.584 -0.003 0.000 1.168 560 A CA 0.233 52.224 52.037 -0.078 0.000 0.804 560 A CB -0.528 18.440 19.000 -0.053 0.000 0.834 560 A HN 0.426 nan 8.150 nan 0.000 0.482 561 C N 0.938 120.262 119.300 0.040 0.000 2.648 561 C HA 0.333 4.786 4.460 -0.012 0.000 0.415 561 C C -0.620 174.435 174.990 0.108 0.000 1.366 561 C CA -1.322 57.761 59.018 0.108 0.000 1.756 561 C CB 0.296 28.152 27.740 0.193 0.000 2.549 561 C HN 0.423 nan 8.230 nan 0.000 0.597 562 P HA -0.188 nan 4.420 nan 0.000 0.217 562 P C 0.899 178.245 177.300 0.077 0.000 1.158 562 P CA 1.998 65.146 63.100 0.079 0.000 0.887 562 P CB -0.123 31.622 31.700 0.074 0.000 0.792 563 I N -5.726 114.855 120.570 0.018 0.000 3.858 563 I HA 0.139 4.302 4.170 -0.012 0.000 0.325 563 I C 1.853 177.943 176.117 -0.046 0.000 1.403 563 I CA -0.289 60.946 61.300 -0.108 0.000 1.169 563 I CB -0.861 36.829 38.000 -0.516 0.000 1.077 563 I HN -0.131 nan 8.210 nan 0.000 0.403 564 Y N 2.071 122.345 120.300 -0.044 0.000 2.040 564 Y HA -0.358 4.184 4.550 -0.012 0.000 0.275 564 Y C 2.676 178.570 175.900 -0.009 0.000 1.171 564 Y CA 2.480 60.572 58.100 -0.013 0.000 1.123 564 Y CB -0.190 38.286 38.460 0.026 0.000 0.963 564 Y HN 0.288 nan 8.280 nan 0.000 0.493 565 S N 0.253 115.999 115.700 0.077 0.000 2.370 565 S HA -0.233 4.230 4.470 -0.012 0.000 0.226 565 S C 1.359 175.935 174.600 -0.041 0.000 1.033 565 S CA 1.709 59.898 58.200 -0.020 0.000 1.011 565 S CB -0.576 62.686 63.200 0.103 0.000 0.852 565 S HN 0.627 nan 8.310 nan 0.000 0.457 566 D N 0.713 121.112 120.400 -0.002 0.000 2.123 566 D HA -0.085 4.548 4.640 -0.012 0.000 0.196 566 D C 1.877 178.166 176.300 -0.018 0.000 0.992 566 D CA 0.899 54.931 54.000 0.053 0.000 0.833 566 D CB -0.294 40.579 40.800 0.122 0.000 0.954 566 D HN 0.183 nan 8.370 nan 0.000 0.455 567 V N 0.550 120.365 119.914 -0.164 0.000 2.307 567 V HA -0.184 3.929 4.120 -0.012 0.000 0.245 567 V C 2.394 178.446 176.094 -0.071 0.000 1.045 567 V CA 1.155 63.364 62.300 -0.150 0.000 1.024 567 V CB -0.452 31.255 31.823 -0.193 0.000 0.651 567 V HN 0.266 nan 8.190 nan 0.000 0.449 568 L N -0.396 120.736 121.223 -0.151 0.000 2.127 568 L HA -0.216 4.117 4.340 -0.012 0.000 0.211 568 L C 2.572 179.482 176.870 0.066 0.000 1.089 568 L CA 1.630 56.436 54.840 -0.057 0.000 0.757 568 L CB -0.413 41.517 42.059 -0.216 0.000 0.899 568 L HN 0.451 nan 8.230 nan 0.000 0.434 569 E N -0.379 119.844 120.200 0.039 0.000 2.076 569 E HA -0.138 4.205 4.350 -0.012 0.000 0.190 569 E C 2.290 178.929 176.600 0.065 0.000 0.979 569 E CA 0.907 57.352 56.400 0.077 0.000 0.807 569 E CB -0.092 29.649 29.700 0.068 0.000 0.761 569 E HN 0.468 nan 8.360 nan 0.000 0.454 570 A N 1.203 124.043 122.820 0.033 0.000 1.972 570 A HA -0.170 4.143 4.320 -0.012 0.000 0.219 570 A C 2.105 179.688 177.584 -0.002 0.000 1.169 570 A CA 0.982 52.977 52.037 -0.069 0.000 0.635 570 A CB -0.522 18.483 19.000 0.009 0.000 0.810 570 A HN 0.148 nan 8.150 nan 0.000 0.446 571 I N -1.100 119.530 120.570 0.100 0.000 2.202 571 I HA -0.205 3.958 4.170 -0.012 0.000 0.242 571 I C 2.566 178.888 176.117 0.341 0.000 1.091 571 I CA 1.690 63.120 61.300 0.218 0.000 1.368 571 I CB -0.268 37.868 38.000 0.227 0.000 1.058 571 I HN 0.379 nan 8.210 nan 0.000 0.410 572 E N 1.342 121.728 120.200 0.310 0.000 2.058 572 E HA -0.287 4.056 4.350 -0.012 0.000 0.194 572 E C 2.258 179.145 176.600 0.478 0.000 0.997 572 E CA 1.646 58.285 56.400 0.399 0.000 0.801 572 E CB -0.184 29.712 29.700 0.327 0.000 0.746 572 E HN 0.188 nan 8.360 nan 0.000 0.450 573 R N -0.711 119.967 120.500 0.297 0.000 2.073 573 R HA -0.112 4.221 4.340 -0.012 0.000 0.234 573 R C 2.272 178.740 176.300 0.280 0.000 1.134 573 R CA 1.738 57.977 56.100 0.232 0.000 0.952 573 R CB -0.605 29.702 30.300 0.010 0.000 0.850 573 R HN 0.340 nan 8.270 nan 0.000 0.433 574 C N -0.467 118.981 119.300 0.247 0.000 2.450 574 C HA -0.048 4.405 4.460 -0.012 0.000 0.279 574 C C 2.298 177.621 174.990 0.554 0.000 1.335 574 C CA -0.144 59.040 59.018 0.277 0.000 1.749 574 C CB -1.240 26.537 27.740 0.063 0.000 1.963 574 C HN 0.689 nan 8.230 nan 0.000 0.501 575 W N -0.346 121.216 121.300 0.437 0.000 2.425 575 W HA -0.105 4.548 4.660 -0.012 0.000 0.277 575 W C 2.039 178.667 176.519 0.182 0.000 1.231 575 W CA 0.920 58.391 57.345 0.210 0.000 1.248 575 W CB -0.535 28.905 29.460 -0.034 0.000 1.117 575 W HN 0.475 nan 8.180 nan 0.000 0.568 576 W N 1.155 122.662 121.300 0.345 0.000 2.378 576 W HA -0.201 4.452 4.660 -0.012 0.000 0.313 576 W C 2.334 178.914 176.519 0.102 0.000 1.197 576 W CA 1.604 59.076 57.345 0.211 0.000 1.304 576 W CB -0.904 28.650 29.460 0.158 0.000 1.148 576 W HN -0.260 nan 8.180 nan 0.000 0.494 577 N N -0.030 118.875 118.700 0.343 0.000 2.192 577 N HA -0.179 4.554 4.740 -0.012 0.000 0.188 577 N C 1.503 177.029 175.510 0.025 0.000 1.013 577 N CA 1.966 55.118 53.050 0.170 0.000 0.863 577 N CB -0.896 37.659 38.487 0.113 0.000 0.990 577 N HN 0.197 nan 8.380 nan 0.000 0.430 578 A N -0.901 121.892 122.820 -0.046 0.000 1.911 578 A HA 0.177 4.490 4.320 -0.012 0.000 0.212 578 A C 1.321 178.535 177.584 -0.617 0.000 1.189 578 A CA 0.549 52.377 52.037 -0.349 0.000 0.639 578 A CB -0.179 18.568 19.000 -0.422 0.000 0.839 578 A HN 0.202 nan 8.150 nan 0.000 0.449 579 F N -1.043 118.631 119.950 -0.460 0.000 2.682 579 F HA 0.374 4.894 4.527 -0.012 0.000 0.308 579 F C 1.705 177.282 175.800 -0.371 0.000 1.093 579 F CA 0.295 58.003 58.000 -0.486 0.000 1.244 579 F CB 0.412 38.948 39.000 -0.775 0.000 1.052 579 F HN 0.313 nan 8.300 nan 0.000 0.573 580 G N 1.608 110.297 108.800 -0.184 0.000 2.203 580 G HA2 -0.296 3.657 3.960 -0.012 0.000 0.263 580 G HA3 -0.296 3.657 3.960 -0.012 0.000 0.263 580 G C 0.011 174.412 174.900 -0.830 0.000 1.012 580 G CA 0.794 45.705 45.100 -0.315 0.000 0.749 580 G HN 0.516 nan 8.290 nan 0.000 0.512 581 E N -1.625 118.037 120.200 -0.897 0.000 2.433 581 E HA 0.703 5.046 4.350 -0.012 0.000 0.273 581 E C -0.435 175.708 176.600 -0.762 0.000 0.950 581 E CA -0.597 55.348 56.400 -0.758 0.000 0.796 581 E CB 1.125 30.670 29.700 -0.259 0.000 1.330 581 E HN 0.406 nan 8.360 nan 0.000 0.455 582 S N 0.407 115.901 115.700 -0.343 0.000 2.465 582 S HA 0.085 4.547 4.470 -0.012 0.000 0.279 582 S C 0.173 174.693 174.600 -0.134 0.000 1.201 582 S CA -0.558 57.611 58.200 -0.051 0.000 1.053 582 S CB 0.043 63.326 63.200 0.138 0.000 0.953 582 S HN 0.675 nan 8.310 nan 0.000 0.488 583 Y N 5.695 125.798 120.300 -0.328 0.000 2.145 583 Y HA -0.163 4.379 4.550 -0.012 0.000 0.286 583 Y C 2.517 178.108 175.900 -0.516 0.000 1.145 583 Y CA 2.095 59.714 58.100 -0.801 0.000 1.148 583 Y CB -0.171 37.809 38.460 -0.801 0.000 0.981 583 Y HN 0.798 nan 8.280 nan 0.000 0.507 584 R N 0.501 120.817 120.500 -0.307 0.000 2.096 584 R HA -0.249 4.084 4.340 -0.012 0.000 0.240 584 R C 2.296 178.323 176.300 -0.456 0.000 1.139 584 R CA 1.661 57.562 56.100 -0.332 0.000 0.952 584 R CB -0.674 29.693 30.300 0.111 0.000 0.854 584 R HN 0.468 nan 8.270 nan 0.000 0.436 585 A N 0.032 122.700 122.820 -0.253 0.000 1.902 585 A HA -0.216 4.097 4.320 -0.012 0.000 0.217 585 A C 2.021 179.413 177.584 -0.319 0.000 1.181 585 A CA 1.350 53.261 52.037 -0.209 0.000 0.623 585 A CB -0.936 18.017 19.000 -0.078 0.000 0.818 585 A HN 0.641 nan 8.150 nan 0.000 0.443 586 Y N 0.914 120.885 120.300 -0.547 0.000 2.081 586 Y HA -0.254 4.289 4.550 -0.012 0.000 0.280 586 Y C 2.389 177.817 175.900 -0.787 0.000 1.163 586 Y CA 2.236 59.971 58.100 -0.609 0.000 1.135 586 Y CB -0.245 37.783 38.460 -0.720 0.000 0.970 586 Y HN 0.195 nan 8.280 nan 0.000 0.498 587 R N 0.727 120.455 120.500 -1.286 0.000 2.115 587 R HA -0.121 4.212 4.340 -0.012 0.000 0.230 587 R C 2.119 177.764 176.300 -1.092 0.000 1.111 587 R CA 1.577 56.737 56.100 -1.566 0.000 0.976 587 R CB -0.750 27.945 30.300 -2.675 0.000 0.870 587 R HN 0.580 nan 8.270 nan 0.000 0.445 588 E N 0.586 120.303 120.200 -0.804 0.000 2.110 588 E HA -0.153 4.190 4.350 -0.012 0.000 0.193 588 E C 1.383 177.800 176.600 -0.305 0.000 0.988 588 E CA 1.150 57.314 56.400 -0.393 0.000 0.804 588 E CB 0.001 29.581 29.700 -0.200 0.000 0.745 588 E HN 0.270 nan 8.360 nan 0.000 0.458 589 D N 0.480 120.676 120.400 -0.340 0.000 2.084 589 D HA -0.183 4.450 4.640 -0.012 0.000 0.194 589 D C 1.894 178.028 176.300 -0.276 0.000 0.990 589 D CA 0.995 54.844 54.000 -0.251 0.000 0.826 589 D CB -0.242 40.425 40.800 -0.223 0.000 0.971 589 D HN 0.133 nan 8.370 nan 0.000 0.453 590 M N 0.375 119.713 119.600 -0.437 0.000 2.108 590 M HA -0.152 4.321 4.480 -0.012 0.000 0.261 590 M C 2.225 178.388 176.300 -0.228 0.000 1.066 590 M CA 1.048 56.119 55.300 -0.381 0.000 1.107 590 M CB -0.070 32.171 32.600 -0.598 0.000 1.356 590 M HN 0.033 nan 8.290 nan 0.000 0.406 591 L N 0.284 121.362 121.223 -0.241 0.000 1.990 591 L HA -0.323 4.009 4.340 -0.012 0.000 0.213 591 L C 2.262 179.094 176.870 -0.064 0.000 1.072 591 L CA 1.861 56.643 54.840 -0.098 0.000 0.755 591 L CB -0.410 41.626 42.059 -0.038 0.000 0.889 591 L HN 0.345 nan 8.230 nan 0.000 0.432 592 K N -0.742 119.609 120.400 -0.082 0.000 2.057 592 K HA -0.186 4.127 4.320 -0.012 0.000 0.207 592 K C 2.115 178.692 176.600 -0.039 0.000 1.049 592 K CA 1.294 57.549 56.287 -0.053 0.000 0.931 592 K CB -0.186 32.279 32.500 -0.057 0.000 0.714 592 K HN 0.375 nan 8.250 nan 0.000 0.440 593 R N 0.984 121.454 120.500 -0.051 0.000 2.070 593 R HA -0.133 4.200 4.340 -0.012 0.000 0.233 593 R C 1.844 178.161 176.300 0.028 0.000 1.137 593 R CA 1.616 57.704 56.100 -0.019 0.000 0.945 593 R CB -0.343 29.935 30.300 -0.037 0.000 0.845 593 R HN 0.241 nan 8.270 nan 0.000 0.430 594 D N -0.249 120.174 120.400 0.038 0.000 2.178 594 D HA -0.073 4.560 4.640 -0.012 0.000 0.202 594 D C 1.762 178.094 176.300 0.054 0.000 0.974 594 D CA 1.180 55.263 54.000 0.138 0.000 0.841 594 D CB -0.205 40.710 40.800 0.193 0.000 0.953 594 D HN 0.165 nan 8.370 nan 0.000 0.478 595 T N 1.163 115.712 114.554 -0.009 0.000 2.720 595 T HA -0.091 4.252 4.350 -0.012 0.000 0.268 595 T C 2.204 176.879 174.700 -0.042 0.000 1.037 595 T CA 0.581 62.647 62.100 -0.057 0.000 1.144 595 T CB -0.196 68.647 68.868 -0.042 0.000 0.864 595 T HN 0.135 nan 8.240 nan 0.000 0.444 596 L N 0.492 121.713 121.223 -0.003 0.000 2.027 596 L HA -0.089 4.244 4.340 -0.012 0.000 0.206 596 L C 2.823 179.725 176.870 0.054 0.000 1.074 596 L CA 1.289 56.137 54.840 0.013 0.000 0.745 596 L CB -0.429 41.639 42.059 0.015 0.000 0.898 596 L HN 0.192 nan 8.230 nan 0.000 0.433 597 E N 0.491 120.759 120.200 0.114 0.000 2.118 597 E HA -0.257 4.085 4.350 -0.012 0.000 0.195 597 E C 1.973 178.768 176.600 0.326 0.000 0.992 597 E CA 1.121 57.670 56.400 0.249 0.000 0.804 597 E CB -0.289 29.616 29.700 0.341 0.000 0.741 597 E HN 0.260 nan 8.360 nan 0.000 0.458 598 L N 0.475 121.723 121.223 0.042 0.000 2.127 598 L HA -0.150 4.183 4.340 -0.012 0.000 0.211 598 L C 2.094 178.951 176.870 -0.022 0.000 1.089 598 L CA 2.243 56.911 54.840 -0.286 0.000 0.757 598 L CB -0.756 40.909 42.059 -0.657 0.000 0.899 598 L HN 0.244 nan 8.230 nan 0.000 0.434 599 S N -1.188 114.508 115.700 -0.007 0.000 2.507 599 S HA -0.204 4.259 4.470 -0.012 0.000 0.235 599 S C 2.128 176.738 174.600 0.017 0.000 0.988 599 S CA 0.829 59.027 58.200 -0.004 0.000 0.944 599 S CB -0.711 62.479 63.200 -0.018 0.000 0.762 599 S HN 0.610 nan 8.310 nan 0.000 0.526 600 R N -0.290 120.244 120.500 0.056 0.000 2.148 600 R HA 0.002 4.335 4.340 -0.012 0.000 0.223 600 R C 1.245 177.432 176.300 -0.189 0.000 1.088 600 R CA 1.136 57.192 56.100 -0.073 0.000 0.985 600 R CB -0.181 30.054 30.300 -0.108 0.000 0.880 600 R HN 0.559 nan 8.270 nan 0.000 0.451 601 Y N -0.764 119.554 120.300 0.031 0.000 2.476 601 Y HA 0.149 4.691 4.550 -0.012 0.000 0.283 601 Y C 0.544 176.443 175.900 -0.002 0.000 1.109 601 Y CA -0.003 58.122 58.100 0.042 0.000 1.246 601 Y CB 0.698 39.231 38.460 0.122 0.000 1.068 601 Y HN -0.238 nan 8.280 nan 0.000 0.552 602 V N 1.284 121.260 119.914 0.103 0.000 2.339 602 V HA 0.284 4.397 4.120 -0.012 0.000 0.261 602 V C 1.027 177.124 176.094 0.004 0.000 1.058 602 V CA -0.166 62.154 62.300 0.032 0.000 0.897 602 V CB 0.258 32.072 31.823 -0.016 0.000 1.052 602 V HN 0.368 nan 8.190 nan 0.000 0.480 603 A N 4.836 127.657 122.820 0.003 0.000 1.859 603 A HA -0.183 4.130 4.320 -0.012 0.000 0.217 603 A C 2.426 180.001 177.584 -0.015 0.000 1.198 603 A CA 2.480 54.511 52.037 -0.010 0.000 0.629 603 A CB -0.739 18.256 19.000 -0.008 0.000 0.830 603 A HN 0.994 nan 8.150 nan 0.000 0.446 604 S N -0.900 114.790 115.700 -0.015 0.000 2.400 604 S HA -0.083 4.380 4.470 -0.012 0.000 0.232 604 S C 1.094 175.679 174.600 -0.024 0.000 1.025 604 S CA 1.131 59.319 58.200 -0.020 0.000 0.993 604 S CB -0.661 62.526 63.200 -0.021 0.000 0.808 604 S HN 0.557 nan 8.310 nan 0.000 0.478 605 M N 2.688 122.272 119.600 -0.027 0.000 2.268 605 M HA 0.424 4.897 4.480 -0.012 0.000 0.349 605 M C 0.357 176.640 176.300 -0.029 0.000 1.485 605 M CA -0.225 55.055 55.300 -0.033 0.000 1.094 605 M CB 0.285 32.859 32.600 -0.043 0.000 1.843 605 M HN 0.384 nan 8.290 nan 0.000 0.460 606 A N 5.257 128.060 122.820 -0.028 0.000 2.586 606 A HA -0.013 4.300 4.320 -0.012 0.000 0.231 606 A C 0.603 178.172 177.584 -0.024 0.000 1.055 606 A CA 0.177 52.199 52.037 -0.025 0.000 0.756 606 A CB 0.107 19.093 19.000 -0.024 0.000 0.988 606 A HN 0.982 nan 8.150 nan 0.000 0.509 607 R N 0.414 120.901 120.500 -0.022 0.000 2.400 607 R HA -0.040 4.292 4.340 -0.012 0.000 0.207 607 R C 0.141 176.430 176.300 -0.018 0.000 1.192 607 R CA 1.075 57.162 56.100 -0.020 0.000 1.181 607 R CB -0.321 29.968 30.300 -0.020 0.000 0.947 607 R HN 0.808 nan 8.270 nan 0.000 0.479 608 Q N -2.040 117.747 119.800 -0.021 0.000 1.320 608 Q HA 0.061 4.394 4.340 -0.012 0.000 0.128 608 Q C -1.178 174.808 176.000 -0.024 0.000 0.729 608 Q CA -0.141 55.650 55.803 -0.021 0.000 0.620 608 Q CB 0.136 28.864 28.738 -0.016 0.000 1.133 608 Q HN 0.356 nan 8.270 nan 0.000 0.319 609 A N 0.344 123.148 122.820 -0.027 0.000 2.407 609 A HA 0.675 4.988 4.320 -0.012 0.000 0.248 609 A C 1.056 178.620 177.584 -0.034 0.000 1.082 609 A CA 0.669 52.689 52.037 -0.028 0.000 0.785 609 A CB 0.328 19.310 19.000 -0.030 0.000 1.020 609 A HN 0.332 nan 8.150 nan 0.000 0.489 610 G N -0.177 108.604 108.800 -0.032 0.000 2.313 610 G HA2 0.227 4.180 3.960 -0.012 0.000 0.283 610 G HA3 0.227 4.180 3.960 -0.012 0.000 0.283 610 G C 0.482 175.354 174.900 -0.046 0.000 1.476 610 G CA 0.113 45.192 45.100 -0.035 0.000 1.054 610 G HN 0.755 nan 8.290 nan 0.000 0.550 611 L N 0.951 122.146 121.223 -0.046 0.000 2.965 611 L HA 0.275 4.608 4.340 -0.012 0.000 0.254 611 L C 2.536 179.374 176.870 -0.054 0.000 1.220 611 L CA 0.207 55.013 54.840 -0.057 0.000 1.023 611 L CB 0.156 42.183 42.059 -0.053 0.000 1.355 611 L HN 0.554 nan 8.230 nan 0.000 0.545 612 A N 0.601 123.394 122.820 -0.046 0.000 1.869 612 A HA -0.210 4.102 4.320 -0.012 0.000 0.218 612 A C 2.115 179.668 177.584 -0.051 0.000 1.203 612 A CA 1.724 53.735 52.037 -0.044 0.000 0.638 612 A CB -0.177 18.801 19.000 -0.037 0.000 0.831 612 A HN 0.371 nan 8.150 nan 0.000 0.450 613 E N -0.229 119.939 120.200 -0.053 0.000 2.418 613 E HA 0.059 4.402 4.350 -0.012 0.000 0.197 613 E C 0.289 176.848 176.600 -0.069 0.000 1.026 613 E CA 0.091 56.457 56.400 -0.057 0.000 0.862 613 E CB -0.272 29.397 29.700 -0.052 0.000 0.799 613 E HN 0.605 nan 8.360 nan 0.000 0.518 614 L N 1.944 123.122 121.223 -0.075 0.000 2.349 614 L HA 0.145 4.478 4.340 -0.012 0.000 0.275 614 L C 1.024 177.835 176.870 -0.098 0.000 1.115 614 L CA -0.380 54.407 54.840 -0.089 0.000 0.820 614 L CB 0.789 42.792 42.059 -0.093 0.000 1.135 614 L HN -0.043 nan 8.230 nan 0.000 0.445 615 T N -0.603 113.877 114.554 -0.122 0.000 2.824 615 T HA 0.274 4.617 4.350 -0.012 0.000 0.277 615 T C -1.950 172.655 174.700 -0.160 0.000 0.975 615 T CA -1.702 60.310 62.100 -0.145 0.000 0.966 615 T CB 1.392 70.149 68.868 -0.184 0.000 1.054 615 T HN 0.321 nan 8.240 nan 0.000 0.533 616 P HA 0.104 nan 4.420 nan 0.000 0.218 616 P C 1.525 178.687 177.300 -0.231 0.000 1.149 616 P CA 0.682 63.688 63.100 -0.157 0.000 0.817 616 P CB -0.067 31.545 31.700 -0.146 0.000 0.785 617 I N -0.492 119.833 120.570 -0.409 0.000 2.252 617 I HA -0.211 3.952 4.170 -0.012 0.000 0.245 617 I C 1.775 177.636 176.117 -0.427 0.000 1.102 617 I CA 1.408 62.257 61.300 -0.752 0.000 1.385 617 I CB -0.623 36.744 38.000 -1.056 0.000 1.064 617 I HN -0.086 nan 8.210 nan 0.000 0.414 618 D N 1.026 121.257 120.400 -0.281 0.000 2.116 618 D HA -0.180 4.452 4.640 -0.012 0.000 0.193 618 D C 2.317 178.558 176.300 -0.099 0.000 0.998 618 D CA 1.403 55.304 54.000 -0.165 0.000 0.836 618 D CB -0.356 40.363 40.800 -0.136 0.000 0.951 618 D HN 0.276 nan 8.370 nan 0.000 0.449 619 L N 0.819 121.990 121.223 -0.087 0.000 2.017 619 L HA -0.136 4.197 4.340 -0.012 0.000 0.208 619 L C 2.402 179.298 176.870 0.044 0.000 1.073 619 L CA 1.015 55.840 54.840 -0.025 0.000 0.745 619 L CB -0.439 41.607 42.059 -0.022 0.000 0.894 619 L HN -0.029 nan 8.230 nan 0.000 0.432 620 E N 0.058 120.296 120.200 0.065 0.000 2.110 620 E HA -0.159 4.184 4.350 -0.012 0.000 0.193 620 E C 2.388 179.102 176.600 0.189 0.000 0.988 620 E CA 1.118 57.626 56.400 0.181 0.000 0.804 620 E CB -0.271 29.628 29.700 0.332 0.000 0.745 620 E HN 0.323 nan 8.360 nan 0.000 0.458 621 V N 1.501 121.504 119.914 0.149 0.000 2.358 621 V HA -0.200 3.913 4.120 -0.012 0.000 0.246 621 V C 2.491 178.637 176.094 0.086 0.000 1.047 621 V CA 1.143 63.519 62.300 0.126 0.000 1.035 621 V CB -0.416 31.456 31.823 0.081 0.000 0.658 621 V HN 0.191 nan 8.190 nan 0.000 0.452 622 L N -0.101 121.170 121.223 0.080 0.000 2.201 622 L HA -0.122 4.211 4.340 -0.012 0.000 0.212 622 L C 2.526 179.512 176.870 0.193 0.000 1.105 622 L CA 1.398 56.322 54.840 0.141 0.000 0.775 622 L CB -0.529 41.581 42.059 0.087 0.000 0.913 622 L HN 0.373 nan 8.230 nan 0.000 0.440 623 A N -1.396 121.516 122.820 0.152 0.000 1.975 623 A HA -0.089 4.224 4.320 -0.012 0.000 0.215 623 A C 0.649 178.297 177.584 0.107 0.000 1.170 623 A CA 0.961 53.086 52.037 0.146 0.000 0.656 623 A CB 0.046 19.143 19.000 0.160 0.000 0.821 623 A HN 0.337 nan 8.150 nan 0.000 0.449 624 D N -2.098 118.366 120.400 0.107 0.000 2.472 624 D HA 0.338 4.971 4.640 -0.012 0.000 0.248 624 D C -2.431 173.900 176.300 0.052 0.000 1.271 624 D CA -1.639 52.415 54.000 0.089 0.000 0.888 624 D CB 1.095 41.976 40.800 0.135 0.000 1.337 624 D HN -0.108 nan 8.370 nan 0.000 0.526 625 P HA -0.121 nan 4.420 nan 0.000 0.218 625 P C 0.923 178.198 177.300 -0.042 0.000 1.146 625 P CA 1.016 64.107 63.100 -0.014 0.000 0.813 625 P CB 0.132 31.805 31.700 -0.045 0.000 0.778 626 N N -0.505 118.180 118.700 -0.026 0.000 2.258 626 N HA -0.182 4.551 4.740 -0.012 0.000 0.187 626 N C 1.415 176.707 175.510 -0.364 0.000 1.012 626 N CA 0.795 53.822 53.050 -0.039 0.000 0.870 626 N CB -0.218 38.370 38.487 0.168 0.000 0.977 626 N HN 0.267 nan 8.380 nan 0.000 0.434 627 K N 0.329 120.455 120.400 -0.456 0.000 2.362 627 K HA -0.075 4.237 4.320 -0.012 0.000 0.200 627 K C 1.278 177.611 176.600 -0.445 0.000 1.046 627 K CA 0.385 56.171 56.287 -0.836 0.000 0.952 627 K CB 0.070 32.333 32.500 -0.395 0.000 0.753 627 K HN 0.093 nan 8.250 nan 0.000 0.466 628 L N 0.610 121.734 121.223 -0.166 0.000 2.610 628 L HA -0.044 4.289 4.340 -0.012 0.000 0.232 628 L C 1.668 178.512 176.870 -0.043 0.000 1.149 628 L CA 1.358 56.190 54.840 -0.013 0.000 0.872 628 L CB 0.018 42.094 42.059 0.028 0.000 0.992 628 L HN 0.032 nan 8.230 nan 0.000 0.447 629 Q N -1.957 117.758 119.800 -0.141 0.000 2.481 629 Q HA 0.025 4.358 4.340 -0.012 0.000 0.219 629 Q C 1.225 177.214 176.000 -0.018 0.000 0.920 629 Q CA 1.140 56.918 55.803 -0.042 0.000 0.915 629 Q CB 0.076 28.823 28.738 0.015 0.000 1.057 629 Q HN 0.608 nan 8.270 nan 0.000 0.581 630 Y N -1.809 118.462 120.300 -0.049 0.000 2.467 630 Y HA 0.515 5.058 4.550 -0.012 0.000 0.250 630 Y C 1.311 177.088 175.900 -0.205 0.000 1.155 630 Y CA -0.068 57.972 58.100 -0.099 0.000 1.249 630 Y CB 0.216 38.618 38.460 -0.096 0.000 1.146 630 Y HN -0.075 nan 8.280 nan 0.000 0.524 631 K N -1.260 118.905 120.400 -0.392 0.000 2.606 631 K HA 0.171 4.484 4.320 -0.012 0.000 0.199 631 K C -0.177 176.094 176.600 -0.548 0.000 1.403 631 K CA 0.024 55.959 56.287 -0.586 0.000 1.011 631 K CB 0.619 32.463 32.500 -1.093 0.000 1.623 631 K HN 0.130 nan 8.250 nan 0.000 0.512 632 W N 0.455 121.664 121.300 -0.151 0.000 2.869 632 W HA 0.476 5.129 4.660 -0.012 0.000 0.345 632 W C -0.128 176.334 176.519 -0.096 0.000 1.191 632 W CA -0.646 56.625 57.345 -0.123 0.000 1.104 632 W CB 0.754 30.146 29.460 -0.114 0.000 1.471 632 W HN -0.148 nan 8.180 nan 0.000 0.612 633 T N -0.303 114.356 114.554 0.175 0.000 2.906 633 T HA 0.118 4.460 4.350 -0.012 0.000 0.295 633 T C 0.936 175.688 174.700 0.087 0.000 1.075 633 T CA -0.383 61.772 62.100 0.091 0.000 1.005 633 T CB 1.615 70.468 68.868 -0.025 0.000 1.136 633 T HN 0.531 nan 8.240 nan 0.000 0.498 634 E N 1.926 122.192 120.200 0.110 0.000 2.136 634 E HA -0.278 4.065 4.350 -0.012 0.000 0.208 634 E C 1.795 178.336 176.600 -0.097 0.000 1.035 634 E CA 2.144 58.569 56.400 0.042 0.000 0.838 634 E CB -0.379 29.262 29.700 -0.098 0.000 0.748 634 E HN 0.669 nan 8.360 nan 0.000 0.459 635 A N 0.488 123.255 122.820 -0.090 0.000 2.172 635 A HA -0.144 4.169 4.320 -0.012 0.000 0.216 635 A C 1.379 178.922 177.584 -0.069 0.000 1.154 635 A CA 1.450 53.427 52.037 -0.101 0.000 0.701 635 A CB -0.137 18.800 19.000 -0.105 0.000 0.789 635 A HN 0.359 nan 8.150 nan 0.000 0.465 636 D N -0.790 119.579 120.400 -0.051 0.000 2.349 636 D HA 0.133 4.766 4.640 -0.012 0.000 0.215 636 D C -0.000 176.187 176.300 -0.189 0.000 1.016 636 D CA 0.409 54.341 54.000 -0.114 0.000 0.870 636 D CB 0.384 41.098 40.800 -0.143 0.000 0.917 636 D HN 0.185 nan 8.370 nan 0.000 0.524 637 V N 1.347 121.199 119.914 -0.104 0.000 2.435 637 V HA 0.148 4.261 4.120 -0.012 0.000 0.290 637 V C 0.444 176.506 176.094 -0.053 0.000 1.030 637 V CA -0.851 61.400 62.300 -0.081 0.000 0.881 637 V CB 1.873 33.717 31.823 0.033 0.000 0.983 637 V HN -0.049 nan 8.190 nan 0.000 0.445 638 S N 3.231 118.888 115.700 -0.072 0.000 2.571 638 S HA 0.062 4.525 4.470 -0.012 0.000 0.298 638 S C 1.519 176.112 174.600 -0.011 0.000 1.280 638 S CA 0.252 58.419 58.200 -0.055 0.000 1.052 638 S CB 0.860 64.023 63.200 -0.063 0.000 0.799 638 S HN 1.054 nan 8.310 nan 0.000 0.501 639 A N 3.531 126.339 122.820 -0.021 0.000 1.933 639 A HA -0.184 4.129 4.320 -0.012 0.000 0.218 639 A C 2.055 179.656 177.584 0.030 0.000 1.175 639 A CA 1.591 53.630 52.037 0.002 0.000 0.628 639 A CB -0.671 18.311 19.000 -0.029 0.000 0.814 639 A HN 0.922 nan 8.150 nan 0.000 0.444 640 N N 0.251 118.953 118.700 0.002 0.000 2.381 640 N HA -0.118 4.615 4.740 -0.012 0.000 0.182 640 N C 1.285 176.799 175.510 0.008 0.000 1.025 640 N CA 1.488 54.539 53.050 0.001 0.000 0.888 640 N CB -0.387 38.090 38.487 -0.017 0.000 0.965 640 N HN 0.382 nan 8.380 nan 0.000 0.438 641 I N 1.131 121.705 120.570 0.007 0.000 2.400 641 I HA -0.101 4.062 4.170 -0.012 0.000 0.248 641 I C 2.441 178.569 176.117 0.018 0.000 1.109 641 I CA 0.702 61.999 61.300 -0.004 0.000 1.425 641 I CB -1.526 36.457 38.000 -0.029 0.000 1.094 641 I HN 0.272 nan 8.210 nan 0.000 0.425 642 H N 1.985 121.037 119.070 -0.030 0.000 2.390 642 H HA -0.172 4.377 4.556 -0.012 0.000 0.298 642 H C 1.586 176.907 175.328 -0.011 0.000 1.106 642 H CA 1.749 57.785 56.048 -0.019 0.000 1.297 642 H CB 0.348 30.095 29.762 -0.025 0.000 1.375 642 H HN 0.439 nan 8.280 nan 0.000 0.509 643 E N -0.126 120.106 120.200 0.054 0.000 2.409 643 E HA -0.076 4.267 4.350 -0.012 0.000 0.198 643 E C 2.226 178.826 176.600 -0.000 0.000 1.024 643 E CA 0.512 56.917 56.400 0.009 0.000 0.861 643 E CB 0.296 30.001 29.700 0.009 0.000 0.788 643 E HN 0.267 nan 8.360 nan 0.000 0.521 644 V N 0.735 120.651 119.914 0.003 0.000 2.649 644 V HA -0.135 3.978 4.120 -0.012 0.000 0.248 644 V C 1.864 177.962 176.094 0.007 0.000 1.054 644 V CA 1.182 63.510 62.300 0.046 0.000 1.073 644 V CB -0.077 31.779 31.823 0.055 0.000 0.699 644 V HN 0.286 nan 8.190 nan 0.000 0.463 645 L N -1.386 119.792 121.223 -0.076 0.000 2.515 645 L HA 0.268 4.600 4.340 -0.012 0.000 0.223 645 L C 0.520 177.314 176.870 -0.126 0.000 1.079 645 L CA 0.370 55.144 54.840 -0.109 0.000 0.857 645 L CB 0.140 42.109 42.059 -0.150 0.000 1.050 645 L HN 0.264 nan 8.230 nan 0.000 0.476 646 M N -1.323 118.179 119.600 -0.163 0.000 2.644 646 M HA 0.465 4.938 4.480 -0.012 0.000 0.304 646 M C -1.010 175.306 176.300 0.027 0.000 1.215 646 M CA -0.363 54.887 55.300 -0.084 0.000 0.871 646 M CB 1.890 34.396 32.600 -0.157 0.000 1.740 646 M HN -0.129 nan 8.290 nan 0.000 0.464 647 H N -0.512 118.564 119.070 0.010 0.000 2.851 647 H HA 0.746 5.296 4.556 -0.011 0.000 0.372 647 H C -1.290 174.072 175.328 0.057 0.000 1.158 647 H CA -0.256 55.812 56.048 0.033 0.000 1.159 647 H CB 2.193 31.966 29.762 0.019 0.000 1.757 647 H HN 0.827 nan 8.280 nan 0.000 0.546 648 G N 1.697 110.607 108.800 0.183 0.000 2.489 648 G HA2 0.503 4.455 3.960 -0.012 0.000 0.327 648 G HA3 0.503 4.455 3.960 -0.012 0.000 0.327 648 G C -0.919 174.144 174.900 0.272 0.000 1.189 648 G CA -0.464 44.761 45.100 0.209 0.000 0.962 648 G HN 0.423 nan 8.290 nan 0.000 0.486 649 V N 0.645 120.660 119.914 0.168 0.000 2.617 649 V HA 0.420 4.533 4.120 -0.012 0.000 0.298 649 V C 0.935 177.085 176.094 0.093 0.000 1.048 649 V CA -0.545 61.830 62.300 0.125 0.000 0.964 649 V CB 1.679 33.554 31.823 0.088 0.000 1.004 649 V HN 1.065 nan 8.190 nan 0.000 0.466 650 S N 3.134 118.880 115.700 0.076 0.000 2.558 650 S HA 0.024 4.487 4.470 -0.012 0.000 0.291 650 S C 1.098 175.730 174.600 0.052 0.000 1.306 650 S CA -0.252 57.983 58.200 0.058 0.000 1.056 650 S CB 0.820 64.048 63.200 0.047 0.000 0.836 650 S HN 0.524 nan 8.310 nan 0.000 0.504 651 V N 2.492 122.432 119.914 0.043 0.000 2.490 651 V HA -0.156 3.957 4.120 -0.012 0.000 0.250 651 V C 2.393 178.513 176.094 0.043 0.000 1.061 651 V CA 2.091 64.415 62.300 0.040 0.000 1.064 651 V CB -1.466 30.372 31.823 0.026 0.000 0.670 651 V HN 0.867 nan 8.190 nan 0.000 0.461 652 E N 0.743 120.966 120.200 0.038 0.000 2.077 652 E HA -0.181 4.162 4.350 -0.012 0.000 0.193 652 E C 2.173 178.805 176.600 0.052 0.000 0.989 652 E CA 1.157 57.579 56.400 0.037 0.000 0.800 652 E CB -0.341 29.377 29.700 0.029 0.000 0.746 652 E HN 0.559 nan 8.360 nan 0.000 0.452 653 K N -0.103 120.331 120.400 0.055 0.000 2.155 653 K HA -0.054 4.259 4.320 -0.012 0.000 0.203 653 K C 2.301 178.969 176.600 0.113 0.000 1.052 653 K CA 1.588 57.916 56.287 0.068 0.000 0.948 653 K CB -0.103 32.423 32.500 0.044 0.000 0.728 653 K HN 0.298 nan 8.250 nan 0.000 0.448 654 T N -1.518 113.102 114.554 0.110 0.000 2.942 654 T HA -0.064 4.278 4.350 -0.012 0.000 0.265 654 T C 1.817 176.634 174.700 0.195 0.000 1.062 654 T CA 0.787 62.992 62.100 0.175 0.000 1.139 654 T CB 0.015 68.959 68.868 0.127 0.000 0.883 654 T HN 0.183 nan 8.240 nan 0.000 0.468 655 E N 0.967 121.232 120.200 0.109 0.000 2.051 655 E HA -0.162 4.181 4.350 -0.012 0.000 0.192 655 E C 2.538 179.174 176.600 0.061 0.000 0.991 655 E CA 0.928 57.366 56.400 0.064 0.000 0.799 655 E CB -0.099 29.624 29.700 0.038 0.000 0.748 655 E HN 0.483 nan 8.360 nan 0.000 0.449 656 R N -0.488 120.061 120.500 0.082 0.000 2.073 656 R HA -0.176 4.157 4.340 -0.012 0.000 0.234 656 R C 2.311 178.674 176.300 0.104 0.000 1.134 656 R CA 1.642 57.786 56.100 0.073 0.000 0.952 656 R CB -0.418 29.928 30.300 0.077 0.000 0.850 656 R HN 0.224 nan 8.270 nan 0.000 0.433 657 F N 0.938 120.910 119.950 0.037 0.000 2.069 657 F HA -0.226 4.294 4.527 -0.013 0.000 0.298 657 F C 1.872 177.710 175.800 0.062 0.000 1.113 657 F CA 1.442 59.490 58.000 0.080 0.000 1.214 657 F CB -0.576 38.478 39.000 0.092 0.000 0.978 657 F HN 0.061 nan 8.300 nan 0.000 0.474 658 L N 0.754 121.918 121.223 -0.097 0.000 2.079 658 L HA -0.166 4.166 4.340 -0.012 0.000 0.210 658 L C 2.578 179.267 176.870 -0.302 0.000 1.081 658 L CA 1.714 56.390 54.840 -0.274 0.000 0.752 658 L CB -0.796 41.221 42.059 -0.069 0.000 0.896 658 L HN 0.110 nan 8.230 nan 0.000 0.433 659 R N -0.961 119.437 120.500 -0.171 0.000 2.096 659 R HA -0.131 4.202 4.340 -0.012 0.000 0.235 659 R C 2.431 178.631 176.300 -0.168 0.000 1.127 659 R CA 1.422 57.434 56.100 -0.147 0.000 0.968 659 R CB -0.260 29.995 30.300 -0.074 0.000 0.861 659 R HN 0.615 nan 8.270 nan 0.000 0.440 660 S N -1.180 114.435 115.700 -0.141 0.000 2.515 660 S HA -0.005 4.458 4.470 -0.012 0.000 0.231 660 S C 1.680 176.219 174.600 -0.101 0.000 0.987 660 S CA 0.638 58.815 58.200 -0.038 0.000 0.936 660 S CB 0.308 63.563 63.200 0.092 0.000 0.766 660 S HN 0.084 nan 8.310 nan 0.000 0.528 661 V N 1.136 120.799 119.914 -0.418 0.000 2.521 661 V HA 0.266 4.379 4.120 -0.012 0.000 0.239 661 V C 1.399 177.015 176.094 -0.796 0.000 1.053 661 V CA 0.718 62.592 62.300 -0.710 0.000 1.073 661 V CB -0.336 30.848 31.823 -1.065 0.000 0.746 661 V HN 0.455 nan 8.190 nan 0.000 0.476 662 M N 0.542 119.680 119.600 -0.771 0.000 2.232 662 M HA 0.110 4.583 4.480 -0.012 0.000 0.321 662 M C -1.209 174.749 176.300 -0.569 0.000 1.101 662 M CA -0.992 53.781 55.300 -0.878 0.000 1.181 662 M CB 0.319 32.563 32.600 -0.592 0.000 1.432 662 M HN 0.011 nan 8.290 nan 0.000 0.457 663 P HA -0.070 nan 4.420 nan 0.000 0.210 663 P C -0.076 177.124 177.300 -0.167 0.000 1.185 663 P CA 1.499 64.454 63.100 -0.243 0.000 0.924 663 P CB 0.344 31.964 31.700 -0.132 0.000 0.786 664 R N 0.000 120.414 120.500 -0.143 0.000 2.786 664 R HA 0.000 4.333 4.340 -0.012 0.000 0.208 664 R CA 0.000 56.042 56.100 -0.097 0.000 0.921 664 R CB 0.000 30.266 30.300 -0.056 0.000 0.687 664 R HN 0.000 nan 8.270 nan 0.000 0.535