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 1vlj_1_B DATA FIRST_RESID -4 DATA SEQUENCE HHHHHMENFV FHNPTKIVFG RGTIPKIGEE IKNAGIRKVL FLYGGGSIKK DATA SEQUENCE NGVYDQVVDS LKKHGIEWVE VSGVKPNPVL SKVHEAVEVA KKEKVEAVLG DATA SEQUENCE VGGGSVVDSA KAVAAGALYE GDIWDAFIGK YQIEKALPIF DVLTISATGT DATA SEQUENCE EMNGNAVITN EKTKEKYGVS SKALYPKVSI IDPSVQFTLP KEQTVYGAVD DATA SEQUENCE AISHILEYYF DGSSPEISNE IAEGTIRTIM KMTERLIEKP DDYEARANLA DATA SEQUENCE WSATIALNGT MAVGRRGGEW ACHRIEHSLS ALYDIAHGAG LAIVFPAWMK DATA SEQUENCE YVYRKNPAQF ERFAKKIFGF EGEGEELILK GIEAFKNWLK KVGAPVSLKD DATA SEQUENCE AGIPEEDIDK IVDNVMLLVE KNLKPKGASL GRIMVLERED VREILKLAAK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -4 H HA 0.000 nan 4.556 nan 0.000 0.296 -4 H C 0.000 174.864 175.328 -0.774 0.000 0.993 -4 H CA 0.000 55.792 56.048 -0.426 0.000 1.023 -4 H CB 0.000 29.492 29.762 -0.449 0.000 1.292 -3 H N 2.235 121.121 119.070 -0.307 0.000 2.380 -3 H HA 0.118 4.673 4.556 -0.002 0.000 0.231 -3 H C 0.137 175.341 175.328 -0.206 0.000 1.415 -3 H CA -0.221 55.711 56.048 -0.193 0.000 1.433 -3 H CB 0.358 30.068 29.762 -0.086 0.000 1.544 -3 H HN 0.494 nan 8.280 nan 0.000 0.503 -2 H N 0.548 119.569 119.070 -0.082 0.000 2.536 -2 H HA 0.076 4.631 4.556 -0.002 0.000 0.276 -2 H C 0.230 175.274 175.328 -0.474 0.000 1.019 -2 H CA 0.292 56.176 56.048 -0.274 0.000 1.159 -2 H CB 0.421 29.954 29.762 -0.381 0.000 1.373 -2 H HN 0.554 nan 8.280 nan 0.000 0.584 -1 H N -0.194 118.986 119.070 0.184 0.000 2.551 -1 H HA 0.082 4.637 4.556 -0.003 0.000 0.238 -1 H C -0.323 175.097 175.328 0.154 0.000 1.345 -1 H CA -0.417 55.710 56.048 0.132 0.000 1.105 -1 H CB -0.149 29.663 29.762 0.084 0.000 1.805 -1 H HN 0.288 nan 8.280 nan 0.000 0.553 0 H N 1.423 120.574 119.070 0.136 0.000 2.646 0 H HA 0.230 4.784 4.556 -0.003 0.000 0.325 0 H C 0.003 175.393 175.328 0.104 0.000 1.075 0 H CA -0.582 55.533 56.048 0.112 0.000 1.421 0 H CB 0.849 30.664 29.762 0.087 0.000 1.461 0 H HN 0.232 nan 8.280 nan 0.000 0.525 1 M N 5.099 124.427 119.600 -0.454 0.000 2.077 1 M HA 0.213 4.692 4.480 -0.002 0.000 0.348 1 M C -0.807 175.116 176.300 -0.629 0.000 1.252 1 M CA -0.127 54.964 55.300 -0.350 0.000 1.096 1 M CB 0.320 32.836 32.600 -0.141 0.000 1.568 1 M HN 0.573 nan 8.290 nan 0.000 0.456 2 E N 3.092 123.136 120.200 -0.259 0.000 2.383 2 E HA 0.096 4.444 4.350 -0.002 0.000 0.264 2 E C -0.391 176.283 176.600 0.123 0.000 1.050 2 E CA -0.135 56.246 56.400 -0.032 0.000 0.896 2 E CB 0.319 30.102 29.700 0.139 0.000 0.982 2 E HN 0.646 nan 8.360 nan 0.000 0.424 3 N N 1.377 120.165 118.700 0.145 0.000 2.345 3 N HA 0.094 4.833 4.740 -0.002 0.000 0.243 3 N C -0.428 175.219 175.510 0.229 0.000 1.246 3 N CA 0.574 53.688 53.050 0.107 0.000 0.863 3 N CB 0.009 38.535 38.487 0.064 0.000 1.096 3 N HN 0.341 nan 8.380 nan 0.000 0.446 4 F N -2.447 117.525 119.950 0.037 0.000 2.713 4 F HA 0.699 5.224 4.527 -0.002 0.000 0.311 4 F C -1.435 174.402 175.800 0.062 0.000 1.141 4 F CA -1.245 56.788 58.000 0.055 0.000 0.939 4 F CB 0.773 39.812 39.000 0.065 0.000 1.325 4 F HN 0.078 nan 8.300 nan 0.000 0.453 5 V N 2.227 122.323 119.914 0.303 0.000 2.495 5 V HA 0.526 4.644 4.120 -0.002 0.000 0.298 5 V C -1.424 174.917 176.094 0.412 0.000 1.031 5 V CA -0.608 61.823 62.300 0.218 0.000 0.871 5 V CB 1.673 33.550 31.823 0.090 0.000 0.988 5 V HN 0.742 nan 8.190 nan 0.000 0.432 6 F N 4.555 124.682 119.950 0.296 0.000 2.493 6 F HA 0.670 5.196 4.527 -0.003 0.000 0.329 6 F C -0.581 175.341 175.800 0.204 0.000 1.126 6 F CA -0.169 57.984 58.000 0.256 0.000 0.937 6 F CB 1.128 40.312 39.000 0.307 0.000 1.146 6 F HN 0.643 nan 8.300 nan 0.000 0.442 7 H N 5.909 124.612 119.070 -0.612 0.000 3.188 7 H HA 0.227 4.781 4.556 -0.002 0.000 0.325 7 H C -2.000 172.929 175.328 -0.664 0.000 1.033 7 H CA -0.555 55.241 56.048 -0.420 0.000 1.443 7 H CB 1.224 30.842 29.762 -0.240 0.000 1.968 7 H HN 0.666 nan 8.280 nan 0.000 0.449 8 N N 6.588 124.783 118.700 -0.842 0.000 2.607 8 N HA 0.151 4.889 4.740 -0.002 0.000 0.271 8 N C -2.187 173.041 175.510 -0.470 0.000 1.142 8 N CA -1.353 51.289 53.050 -0.679 0.000 0.810 8 N CB 1.927 40.228 38.487 -0.310 0.000 1.306 8 N HN 0.472 nan 8.380 nan 0.000 0.536 9 P HA 0.091 nan 4.420 nan 0.000 0.249 9 P C -0.070 177.164 177.300 -0.111 0.000 1.229 9 P CA 0.102 63.017 63.100 -0.310 0.000 0.788 9 P CB 0.153 31.649 31.700 -0.340 0.000 1.072 10 T N 1.608 116.137 114.554 -0.041 0.000 2.916 10 T HA 0.060 4.408 4.350 -0.002 0.000 0.303 10 T C 0.243 174.979 174.700 0.060 0.000 1.025 10 T CA 0.221 62.344 62.100 0.039 0.000 1.142 10 T CB 0.817 69.750 68.868 0.108 0.000 0.947 10 T HN 0.075 nan 8.240 nan 0.000 0.544 11 K N 3.850 124.284 120.400 0.055 0.000 2.227 11 K HA 0.316 4.634 4.320 -0.002 0.000 0.280 11 K C -0.611 176.054 176.600 0.108 0.000 1.041 11 K CA -0.657 55.677 56.287 0.077 0.000 0.905 11 K CB 0.385 32.923 32.500 0.064 0.000 1.068 11 K HN 0.371 nan 8.250 nan 0.000 0.470 12 I N 5.220 125.873 120.570 0.139 0.000 2.336 12 I HA 0.204 4.372 4.170 -0.002 0.000 0.292 12 I C -0.349 175.854 176.117 0.143 0.000 0.991 12 I CA -0.844 60.565 61.300 0.181 0.000 1.227 12 I CB 1.445 39.618 38.000 0.289 0.000 1.366 12 I HN 0.348 nan 8.210 nan 0.000 0.466 13 V N 7.504 127.503 119.914 0.140 0.000 2.347 13 V HA 0.391 4.509 4.120 -0.002 0.000 0.280 13 V C -0.552 175.645 176.094 0.172 0.000 1.021 13 V CA -0.624 61.748 62.300 0.119 0.000 0.847 13 V CB 1.563 33.425 31.823 0.066 0.000 0.990 13 V HN 0.505 nan 8.190 nan 0.000 0.444 14 F N 3.595 123.545 119.950 -0.000 0.000 2.540 14 F HA 0.919 5.444 4.527 -0.003 0.000 0.317 14 F C 0.328 176.139 175.800 0.017 0.000 1.104 14 F CA 0.492 58.498 58.000 0.009 0.000 0.913 14 F CB 1.961 40.937 39.000 -0.040 0.000 1.170 14 F HN 0.854 nan 8.300 nan 0.000 0.450 15 G N 4.188 112.869 108.800 -0.198 0.000 2.354 15 G HA2 0.053 4.012 3.960 -0.002 0.000 0.582 15 G HA3 0.053 4.012 3.960 -0.002 0.000 0.582 15 G C -1.529 173.347 174.900 -0.040 0.000 1.316 15 G CA -1.393 43.708 45.100 0.003 0.000 0.995 15 G HN 0.769 nan 8.290 nan 0.000 0.573 16 R N 0.020 120.517 120.500 -0.005 0.000 2.522 16 R HA 0.413 4.751 4.340 -0.002 0.000 0.284 16 R C 1.420 177.675 176.300 -0.075 0.000 1.032 16 R CA 1.276 57.319 56.100 -0.094 0.000 1.049 16 R CB 0.454 30.623 30.300 -0.219 0.000 0.956 16 R HN 2.319 nan 8.270 nan 0.000 0.422 17 G N 1.695 110.448 108.800 -0.079 0.000 2.136 17 G HA2 -0.309 3.650 3.960 -0.002 0.000 0.242 17 G HA3 -0.309 3.650 3.960 -0.002 0.000 0.242 17 G C 0.732 175.602 174.900 -0.050 0.000 0.989 17 G CA 0.551 45.615 45.100 -0.061 0.000 0.682 17 G HN 0.703 nan 8.290 nan 0.000 0.522 18 T N -1.846 112.676 114.554 -0.055 0.000 3.057 18 T HA 0.319 4.667 4.350 -0.002 0.000 0.254 18 T C 2.329 176.995 174.700 -0.057 0.000 1.094 18 T CA 0.858 62.931 62.100 -0.044 0.000 1.088 18 T CB 0.034 68.883 68.868 -0.032 0.000 0.934 18 T HN 0.331 nan 8.240 nan 0.000 0.497 19 I N 1.977 122.503 120.570 -0.073 0.000 2.361 19 I HA -0.037 4.132 4.170 -0.002 0.000 0.251 19 I C -0.786 175.271 176.117 -0.100 0.000 1.133 19 I CA 0.833 62.079 61.300 -0.091 0.000 1.413 19 I CB -1.077 36.864 38.000 -0.098 0.000 1.073 19 I HN 0.184 nan 8.210 nan 0.000 0.424 20 P HA -0.170 nan 4.420 nan 0.000 0.226 20 P C 1.125 178.388 177.300 -0.061 0.000 1.146 20 P CA 1.093 64.159 63.100 -0.057 0.000 0.773 20 P CB -0.063 31.621 31.700 -0.027 0.000 0.772 21 K N -1.080 119.270 120.400 -0.083 0.000 2.432 21 K HA 0.008 4.326 4.320 -0.002 0.000 0.196 21 K C 1.756 178.238 176.600 -0.197 0.000 1.038 21 K CA 0.300 56.513 56.287 -0.122 0.000 0.986 21 K CB -0.732 31.722 32.500 -0.078 0.000 0.782 21 K HN 0.205 nan 8.250 nan 0.000 0.485 22 I N 1.363 121.821 120.570 -0.187 0.000 2.208 22 I HA -0.171 3.997 4.170 -0.002 0.000 0.245 22 I C 1.956 177.882 176.117 -0.319 0.000 1.097 22 I CA 1.569 62.734 61.300 -0.225 0.000 1.363 22 I CB -0.678 37.178 38.000 -0.239 0.000 1.051 22 I HN 0.152 nan 8.210 nan 0.000 0.413 23 G N -0.633 107.971 108.800 -0.327 0.000 2.422 23 G HA2 -0.263 3.696 3.960 -0.002 0.000 0.218 23 G HA3 -0.263 3.696 3.960 -0.002 0.000 0.218 23 G C 1.591 176.121 174.900 -0.616 0.000 1.140 23 G CA 0.745 45.636 45.100 -0.348 0.000 0.775 23 G HN 0.542 nan 8.290 nan 0.000 0.545 24 E N 0.265 119.894 120.200 -0.951 0.000 2.047 24 E HA -0.129 4.219 4.350 -0.002 0.000 0.191 24 E C 2.271 178.668 176.600 -0.338 0.000 0.987 24 E CA 0.883 56.824 56.400 -0.764 0.000 0.799 24 E CB -0.029 29.326 29.700 -0.576 0.000 0.752 24 E HN 0.323 nan 8.360 nan 0.000 0.449 25 E N 0.513 120.554 120.200 -0.265 0.000 2.085 25 E HA -0.188 4.161 4.350 -0.002 0.000 0.194 25 E C 2.251 178.726 176.600 -0.208 0.000 0.994 25 E CA 0.957 57.273 56.400 -0.139 0.000 0.801 25 E CB -0.184 29.491 29.700 -0.040 0.000 0.743 25 E HN 0.460 nan 8.360 nan 0.000 0.453 26 I N 0.944 121.254 120.570 -0.434 0.000 2.286 26 I HA -0.236 3.933 4.170 -0.002 0.000 0.245 26 I C 2.668 178.629 176.117 -0.261 0.000 1.104 26 I CA 0.978 61.906 61.300 -0.621 0.000 1.397 26 I CB -0.194 37.375 38.000 -0.719 0.000 1.072 26 I HN 0.030 nan 8.210 nan 0.000 0.417 27 K N 1.153 121.441 120.400 -0.187 0.000 2.032 27 K HA -0.215 4.104 4.320 -0.002 0.000 0.209 27 K C 1.838 178.414 176.600 -0.041 0.000 1.048 27 K CA 1.864 58.106 56.287 -0.075 0.000 0.927 27 K CB -0.031 32.452 32.500 -0.029 0.000 0.712 27 K HN 0.212 nan 8.250 nan 0.000 0.441 28 N N 0.380 119.049 118.700 -0.052 0.000 2.381 28 N HA -0.079 4.660 4.740 -0.002 0.000 0.182 28 N C 1.200 176.727 175.510 0.028 0.000 1.025 28 N CA 1.103 54.148 53.050 -0.007 0.000 0.888 28 N CB -0.116 38.365 38.487 -0.010 0.000 0.965 28 N HN 0.311 nan 8.380 nan 0.000 0.438 29 A N -0.177 122.671 122.820 0.047 0.000 2.238 29 A HA 0.387 4.706 4.320 -0.002 0.000 0.208 29 A C 1.433 179.074 177.584 0.095 0.000 1.177 29 A CA 0.754 52.863 52.037 0.120 0.000 0.804 29 A CB -0.406 18.771 19.000 0.295 0.000 0.823 29 A HN 0.289 nan 8.150 nan 0.000 0.482 30 G N -1.116 107.713 108.800 0.049 0.000 2.132 30 G HA2 -0.204 3.754 3.960 -0.002 0.000 0.234 30 G HA3 -0.204 3.754 3.960 -0.002 0.000 0.234 30 G C -0.030 174.897 174.900 0.047 0.000 0.989 30 G CA 0.266 45.393 45.100 0.046 0.000 0.676 30 G HN 0.450 nan 8.290 nan 0.000 0.522 31 I N -0.522 120.066 120.570 0.029 0.000 2.412 31 I HA 0.678 4.846 4.170 -0.002 0.000 0.296 31 I C 1.332 177.454 176.117 0.009 0.000 0.987 31 I CA -0.110 61.209 61.300 0.031 0.000 1.180 31 I CB 1.538 39.560 38.000 0.035 0.000 1.340 31 I HN 0.150 nan 8.210 nan 0.000 0.455 32 R N 4.821 125.343 120.500 0.037 0.000 2.250 32 R HA 0.327 4.665 4.340 -0.002 0.000 0.194 32 R C 0.724 177.065 176.300 0.068 0.000 0.927 32 R CA 0.403 56.531 56.100 0.045 0.000 1.052 32 R CB 0.313 30.641 30.300 0.047 0.000 1.055 32 R HN 0.620 nan 8.270 nan 0.000 0.537 33 K N 0.446 120.893 120.400 0.079 0.000 2.581 33 K HA 0.488 4.806 4.320 -0.002 0.000 0.249 33 K C -1.355 175.322 176.600 0.128 0.000 0.966 33 K CA -0.415 55.940 56.287 0.112 0.000 0.811 33 K CB 2.198 34.755 32.500 0.095 0.000 1.223 33 K HN 0.184 nan 8.250 nan 0.000 0.438 34 V N 1.360 121.378 119.914 0.173 0.000 2.960 34 V HA 0.632 4.750 4.120 -0.002 0.000 0.315 34 V C -1.039 175.209 176.094 0.256 0.000 1.087 34 V CA -1.223 61.187 62.300 0.183 0.000 0.982 34 V CB 1.658 33.553 31.823 0.119 0.000 1.039 34 V HN 0.690 nan 8.190 nan 0.000 0.437 35 L N 3.712 125.079 121.223 0.239 0.000 2.281 35 L HA 0.552 4.890 4.340 -0.002 0.000 0.285 35 L C -0.707 176.376 176.870 0.355 0.000 1.074 35 L CA -0.222 54.787 54.840 0.283 0.000 0.817 35 L CB 0.728 42.916 42.059 0.216 0.000 1.168 35 L HN 0.775 nan 8.230 nan 0.000 0.434 36 F N 7.118 127.217 119.950 0.248 0.000 2.350 36 F HA 0.466 4.991 4.527 -0.003 0.000 0.365 36 F C -1.142 174.839 175.800 0.301 0.000 1.122 36 F CA -1.345 56.791 58.000 0.227 0.000 1.139 36 F CB 0.971 40.080 39.000 0.181 0.000 1.220 36 F HN 0.431 nan 8.300 nan 0.000 0.499 37 L N 9.355 130.968 121.223 0.650 0.000 2.322 37 L HA 0.562 4.900 4.340 -0.002 0.000 0.281 37 L C -1.462 175.708 176.870 0.500 0.000 1.014 37 L CA -0.507 54.572 54.840 0.399 0.000 0.815 37 L CB 1.101 43.308 42.059 0.246 0.000 1.247 37 L HN 0.583 nan 8.230 nan 0.000 0.421 38 Y N 2.389 122.789 120.300 0.167 0.000 2.840 38 Y HA 0.920 5.469 4.550 -0.003 0.000 0.324 38 Y C 0.103 176.050 175.900 0.078 0.000 1.378 38 Y CA -0.592 57.596 58.100 0.147 0.000 1.077 38 Y CB 0.458 39.031 38.460 0.188 0.000 1.361 38 Y HN 0.578 nan 8.280 nan 0.000 0.459 39 G N -0.158 108.782 108.800 0.235 0.000 3.365 39 G HA2 0.396 4.354 3.960 -0.002 0.000 0.185 39 G HA3 0.396 4.354 3.960 -0.002 0.000 0.185 39 G C 0.437 175.383 174.900 0.077 0.000 1.565 39 G CA -0.532 44.631 45.100 0.105 0.000 0.984 39 G HN 1.270 nan 8.290 nan 0.000 0.604 40 G N -0.749 108.106 108.800 0.091 0.000 3.440 40 G HA2 0.433 4.391 3.960 -0.002 0.000 0.263 40 G HA3 0.433 4.391 3.960 -0.002 0.000 0.263 40 G C 1.119 176.078 174.900 0.099 0.000 1.236 40 G CA 0.738 45.878 45.100 0.066 0.000 0.927 40 G HN 1.853 nan 8.290 nan 0.000 0.530 41 G N 0.392 109.302 108.800 0.183 0.000 2.168 41 G HA2 -0.335 3.624 3.960 -0.002 0.000 0.257 41 G HA3 -0.335 3.624 3.960 -0.002 0.000 0.257 41 G C 1.666 176.607 174.900 0.067 0.000 0.997 41 G CA 1.267 46.443 45.100 0.127 0.000 0.708 41 G HN 1.359 nan 8.290 nan 0.000 0.520 42 S N -0.054 115.692 115.700 0.078 0.000 2.400 42 S HA -0.162 4.307 4.470 -0.002 0.000 0.232 42 S C 2.505 177.140 174.600 0.059 0.000 1.025 42 S CA 1.824 60.061 58.200 0.063 0.000 0.993 42 S CB -0.483 62.757 63.200 0.067 0.000 0.808 42 S HN 1.478 nan 8.310 nan 0.000 0.478 43 I N -0.913 119.701 120.570 0.074 0.000 2.394 43 I HA 0.001 4.170 4.170 -0.002 0.000 0.251 43 I C 2.319 178.471 176.117 0.059 0.000 1.136 43 I CA 1.129 62.470 61.300 0.067 0.000 1.425 43 I CB -0.349 37.703 38.000 0.086 0.000 1.079 43 I HN 0.106 nan 8.210 nan 0.000 0.425 44 K N 1.565 121.963 120.400 -0.004 0.000 2.062 44 K HA -0.136 4.183 4.320 -0.002 0.000 0.205 44 K C 2.266 178.868 176.600 0.004 0.000 1.051 44 K CA 1.434 57.695 56.287 -0.045 0.000 0.941 44 K CB -0.148 32.237 32.500 -0.192 0.000 0.719 44 K HN 0.331 nan 8.250 nan 0.000 0.440 45 K N 1.621 122.026 120.400 0.009 0.000 2.097 45 K HA -0.152 4.166 4.320 -0.002 0.000 0.206 45 K C 1.296 177.913 176.600 0.028 0.000 1.049 45 K CA 1.873 58.171 56.287 0.018 0.000 0.933 45 K CB -0.010 32.503 32.500 0.022 0.000 0.717 45 K HN 0.130 nan 8.250 nan 0.000 0.442 46 N N -0.836 117.884 118.700 0.034 0.000 2.268 46 N HA 0.072 4.810 4.740 -0.002 0.000 0.204 46 N C 0.784 176.310 175.510 0.027 0.000 1.124 46 N CA 0.690 53.758 53.050 0.031 0.000 0.838 46 N CB 0.640 39.144 38.487 0.028 0.000 0.994 46 N HN 0.350 nan 8.380 nan 0.000 0.489 47 G N -0.558 108.267 108.800 0.041 0.000 2.184 47 G HA2 -0.340 3.618 3.960 -0.002 0.000 0.264 47 G HA3 -0.340 3.618 3.960 -0.002 0.000 0.264 47 G C 0.842 175.763 174.900 0.035 0.000 0.975 47 G CA 0.454 45.580 45.100 0.043 0.000 0.642 47 G HN 0.261 nan 8.290 nan 0.000 0.536 48 V N -0.103 119.831 119.914 0.033 0.000 2.343 48 V HA -0.203 3.915 4.120 -0.002 0.000 0.247 48 V C 2.126 178.236 176.094 0.026 0.000 1.051 48 V CA 2.633 64.939 62.300 0.010 0.000 1.036 48 V CB -0.733 31.098 31.823 0.012 0.000 0.654 48 V HN 0.601 nan 8.190 nan 0.000 0.451 49 Y N 1.424 121.697 120.300 -0.045 0.000 2.128 49 Y HA -0.268 4.281 4.550 -0.003 0.000 0.284 49 Y C 2.449 178.336 175.900 -0.022 0.000 1.154 49 Y CA 2.195 60.273 58.100 -0.036 0.000 1.149 49 Y CB -0.323 38.064 38.460 -0.122 0.000 0.976 49 Y HN 0.332 nan 8.280 nan 0.000 0.505 50 D N -0.164 120.296 120.400 0.101 0.000 2.178 50 D HA -0.185 4.453 4.640 -0.002 0.000 0.201 50 D C 2.019 178.267 176.300 -0.087 0.000 0.980 50 D CA 1.452 55.459 54.000 0.012 0.000 0.842 50 D CB -0.270 40.585 40.800 0.092 0.000 0.948 50 D HN 0.605 nan 8.370 nan 0.000 0.472 51 Q N 0.316 120.067 119.800 -0.082 0.000 2.084 51 Q HA -0.090 4.248 4.340 -0.002 0.000 0.202 51 Q C 2.446 178.340 176.000 -0.177 0.000 0.978 51 Q CA 0.835 56.577 55.803 -0.103 0.000 0.844 51 Q CB 0.092 28.779 28.738 -0.085 0.000 0.898 51 Q HN 0.164 nan 8.270 nan 0.000 0.426 52 V N 0.078 119.837 119.914 -0.259 0.000 2.270 52 V HA -0.201 3.917 4.120 -0.002 0.000 0.245 52 V C 2.219 178.024 176.094 -0.483 0.000 1.043 52 V CA 1.328 63.389 62.300 -0.399 0.000 1.014 52 V CB -0.399 31.099 31.823 -0.542 0.000 0.645 52 V HN 0.163 nan 8.190 nan 0.000 0.447 53 V N 0.337 119.930 119.914 -0.535 0.000 2.407 53 V HA -0.248 3.871 4.120 -0.002 0.000 0.248 53 V C 2.270 178.212 176.094 -0.253 0.000 1.055 53 V CA 2.134 64.101 62.300 -0.556 0.000 1.049 53 V CB -0.697 30.836 31.823 -0.483 0.000 0.662 53 V HN 0.568 nan 8.190 nan 0.000 0.455 54 D N -0.497 119.810 120.400 -0.155 0.000 2.117 54 D HA -0.145 4.493 4.640 -0.002 0.000 0.197 54 D C 2.404 178.667 176.300 -0.061 0.000 0.987 54 D CA 1.725 55.686 54.000 -0.065 0.000 0.829 54 D CB -0.305 40.468 40.800 -0.046 0.000 0.961 54 D HN 0.407 nan 8.370 nan 0.000 0.460 55 S N -0.318 115.328 115.700 -0.091 0.000 2.355 55 S HA -0.067 4.401 4.470 -0.002 0.000 0.222 55 S C 2.117 176.733 174.600 0.027 0.000 1.031 55 S CA 0.592 58.792 58.200 -0.000 0.000 0.993 55 S CB -0.283 62.877 63.200 -0.066 0.000 0.859 55 S HN 0.169 nan 8.310 nan 0.000 0.453 56 L N 0.965 122.098 121.223 -0.151 0.000 2.012 56 L HA -0.140 4.199 4.340 -0.002 0.000 0.210 56 L C 2.753 179.668 176.870 0.075 0.000 1.073 56 L CA 1.554 56.324 54.840 -0.117 0.000 0.748 56 L CB -0.541 41.269 42.059 -0.414 0.000 0.891 56 L HN 0.301 nan 8.230 nan 0.000 0.431 57 K N 0.211 120.670 120.400 0.098 0.000 2.057 57 K HA -0.235 4.084 4.320 -0.002 0.000 0.207 57 K C 2.192 178.816 176.600 0.040 0.000 1.049 57 K CA 1.398 57.775 56.287 0.150 0.000 0.931 57 K CB -0.144 32.448 32.500 0.154 0.000 0.714 57 K HN 0.189 nan 8.250 nan 0.000 0.440 58 K N 0.429 120.809 120.400 -0.033 0.000 2.097 58 K HA -0.156 4.163 4.320 -0.002 0.000 0.206 58 K C 1.307 177.721 176.600 -0.309 0.000 1.049 58 K CA 1.293 57.469 56.287 -0.185 0.000 0.933 58 K CB 0.075 32.404 32.500 -0.285 0.000 0.717 58 K HN 0.289 nan 8.250 nan 0.000 0.442 59 H N -1.115 117.944 119.070 -0.019 0.000 2.517 59 H HA 0.136 4.691 4.556 -0.002 0.000 0.282 59 H C 0.611 175.936 175.328 -0.005 0.000 1.023 59 H CA 0.646 56.680 56.048 -0.024 0.000 1.169 59 H CB 0.794 30.522 29.762 -0.056 0.000 1.454 59 H HN 0.514 nan 8.280 nan 0.000 0.556 60 G N 1.806 110.650 108.800 0.074 0.000 2.221 60 G HA2 -0.246 3.712 3.960 -0.002 0.000 0.265 60 G HA3 -0.246 3.712 3.960 -0.002 0.000 0.265 60 G C 0.012 174.972 174.900 0.099 0.000 1.041 60 G CA -0.074 45.072 45.100 0.076 0.000 0.807 60 G HN 0.206 nan 8.290 nan 0.000 0.502 61 I N 0.601 121.251 120.570 0.134 0.000 2.331 61 I HA 0.363 4.531 4.170 -0.002 0.000 0.292 61 I C 0.683 176.973 176.117 0.289 0.000 0.998 61 I CA -1.148 60.239 61.300 0.146 0.000 1.267 61 I CB 1.226 39.264 38.000 0.064 0.000 1.386 61 I HN 0.390 nan 8.210 nan 0.000 0.476 62 E N 6.720 127.053 120.200 0.222 0.000 2.343 62 E HA 0.410 4.759 4.350 -0.002 0.000 0.269 62 E C -1.417 175.399 176.600 0.361 0.000 1.047 62 E CA -0.506 56.020 56.400 0.210 0.000 0.874 62 E CB 1.213 30.961 29.700 0.080 0.000 1.033 62 E HN 0.581 nan 8.360 nan 0.000 0.409 63 W N 2.574 123.922 121.300 0.080 0.000 3.074 63 W HA 0.545 5.204 4.660 -0.002 0.000 0.332 63 W C -1.948 174.650 176.519 0.131 0.000 1.253 63 W CA -0.992 56.427 57.345 0.123 0.000 1.180 63 W CB 0.411 29.984 29.460 0.189 0.000 1.445 63 W HN 0.309 nan 8.180 nan 0.000 0.573 64 V N -0.862 119.239 119.914 0.312 0.000 2.735 64 V HA 0.655 4.773 4.120 -0.002 0.000 0.310 64 V C -0.679 175.637 176.094 0.371 0.000 1.061 64 V CA -1.183 61.231 62.300 0.190 0.000 0.913 64 V CB 1.624 33.515 31.823 0.114 0.000 1.005 64 V HN 0.764 nan 8.190 nan 0.000 0.428 65 E N 2.147 122.519 120.200 0.287 0.000 2.204 65 E HA 0.759 5.107 4.350 -0.002 0.000 0.276 65 E C -1.378 175.283 176.600 0.101 0.000 0.974 65 E CA -0.834 55.724 56.400 0.263 0.000 0.815 65 E CB 2.503 32.361 29.700 0.262 0.000 1.119 65 E HN 0.631 nan 8.360 nan 0.000 0.393 66 V N 2.319 122.253 119.914 0.033 0.000 2.577 66 V HA 0.317 4.436 4.120 -0.002 0.000 0.303 66 V C -0.264 175.640 176.094 -0.316 0.000 1.042 66 V CA -0.571 61.679 62.300 -0.082 0.000 0.872 66 V CB 1.714 33.534 31.823 -0.004 0.000 0.998 66 V HN 0.836 nan 8.190 nan 0.000 0.423 67 S N 2.318 117.750 115.700 -0.447 0.000 2.759 67 S HA 0.901 5.370 4.470 -0.002 0.000 0.310 67 S C 0.748 175.152 174.600 -0.327 0.000 1.123 67 S CA -0.013 57.762 58.200 -0.709 0.000 0.959 67 S CB 1.850 64.451 63.200 -0.998 0.000 1.172 67 S HN 2.304 nan 8.310 nan 0.000 0.539 68 G N -0.796 107.849 108.800 -0.257 0.000 2.141 68 G HA2 -0.198 3.761 3.960 -0.002 0.000 0.231 68 G HA3 -0.198 3.761 3.960 -0.002 0.000 0.231 68 G C -0.010 174.846 174.900 -0.074 0.000 0.984 68 G CA -0.190 44.836 45.100 -0.123 0.000 0.660 68 G HN 1.142 nan 8.290 nan 0.000 0.525 69 V N 0.930 120.806 119.914 -0.062 0.000 2.694 69 V HA 0.194 4.312 4.120 -0.002 0.000 0.306 69 V C 1.095 177.185 176.094 -0.007 0.000 1.054 69 V CA 0.753 63.040 62.300 -0.023 0.000 1.161 69 V CB 0.928 32.758 31.823 0.011 0.000 0.916 69 V HN 0.407 nan 8.190 nan 0.000 0.490 70 K N 5.687 126.079 120.400 -0.013 0.000 2.095 70 K HA 0.336 4.655 4.320 -0.002 0.000 0.252 70 K C -1.678 174.927 176.600 0.010 0.000 0.977 70 K CA -1.596 54.688 56.287 -0.005 0.000 0.900 70 K CB 0.994 33.480 32.500 -0.023 0.000 1.060 70 K HN 0.288 nan 8.250 nan 0.000 0.449 71 P HA -0.164 nan 4.420 nan 0.000 0.216 71 P C -0.400 176.916 177.300 0.028 0.000 1.153 71 P CA 1.293 64.418 63.100 0.042 0.000 0.858 71 P CB 0.229 31.965 31.700 0.059 0.000 0.789 72 N N 0.416 119.119 118.700 0.005 0.000 2.500 72 N HA 0.183 4.921 4.740 -0.002 0.000 0.236 72 N C -2.502 172.977 175.510 -0.052 0.000 1.022 72 N CA -1.453 51.582 53.050 -0.025 0.000 0.935 72 N CB 0.568 39.036 38.487 -0.031 0.000 1.147 72 N HN 0.166 nan 8.380 nan 0.000 0.512 73 P HA 0.062 nan 4.420 nan 0.000 0.275 73 P C -0.092 177.141 177.300 -0.111 0.000 1.228 73 P CA -0.302 62.761 63.100 -0.062 0.000 0.786 73 P CB 1.096 32.773 31.700 -0.037 0.000 0.927 74 V N 0.918 120.758 119.914 -0.124 0.000 2.919 74 V HA 0.289 4.408 4.120 -0.002 0.000 0.316 74 V C 1.368 177.330 176.094 -0.220 0.000 1.077 74 V CA -0.765 61.424 62.300 -0.184 0.000 0.977 74 V CB 1.399 33.120 31.823 -0.169 0.000 1.039 74 V HN 0.383 nan 8.190 nan 0.000 0.441 75 L N 3.262 124.290 121.223 -0.324 0.000 2.141 75 L HA -0.027 4.311 4.340 -0.002 0.000 0.209 75 L C 2.596 179.179 176.870 -0.478 0.000 1.094 75 L CA 2.662 57.239 54.840 -0.439 0.000 0.763 75 L CB -0.540 41.167 42.059 -0.587 0.000 0.908 75 L HN 1.060 nan 8.230 nan 0.000 0.437 76 S N -0.911 114.612 115.700 -0.294 0.000 2.382 76 S HA -0.245 4.223 4.470 -0.002 0.000 0.228 76 S C 2.093 176.649 174.600 -0.073 0.000 1.027 76 S CA 1.260 59.379 58.200 -0.135 0.000 0.991 76 S CB -0.540 62.612 63.200 -0.080 0.000 0.823 76 S HN 0.434 nan 8.310 nan 0.000 0.469 77 K N 1.545 121.888 120.400 -0.095 0.000 2.103 77 K HA 0.150 4.468 4.320 -0.002 0.000 0.204 77 K C 1.866 178.451 176.600 -0.025 0.000 1.052 77 K CA 1.273 57.529 56.287 -0.051 0.000 0.945 77 K CB -0.947 31.518 32.500 -0.058 0.000 0.722 77 K HN 0.299 nan 8.250 nan 0.000 0.443 78 V N 0.760 120.636 119.914 -0.064 0.000 2.295 78 V HA -0.260 3.859 4.120 -0.002 0.000 0.246 78 V C 1.944 178.078 176.094 0.067 0.000 1.049 78 V CA 2.177 64.470 62.300 -0.011 0.000 1.024 78 V CB -0.644 31.148 31.823 -0.052 0.000 0.648 78 V HN 0.456 nan 8.190 nan 0.000 0.447 79 H N -0.298 118.788 119.070 0.027 0.000 2.319 79 H HA -0.229 4.326 4.556 -0.002 0.000 0.299 79 H C 2.482 177.823 175.328 0.023 0.000 1.092 79 H CA 1.721 57.786 56.048 0.030 0.000 1.302 79 H CB 0.101 29.867 29.762 0.006 0.000 1.373 79 H HN 0.501 nan 8.280 nan 0.000 0.497 80 E N 0.840 121.124 120.200 0.141 0.000 2.070 80 E HA -0.239 4.109 4.350 -0.002 0.000 0.197 80 E C 2.372 179.013 176.600 0.068 0.000 1.004 80 E CA 1.077 57.521 56.400 0.074 0.000 0.805 80 E CB -0.106 29.615 29.700 0.035 0.000 0.744 80 E HN 0.485 nan 8.360 nan 0.000 0.451 81 A N 0.467 123.330 122.820 0.072 0.000 1.929 81 A HA -0.073 4.246 4.320 -0.002 0.000 0.216 81 A C 2.406 180.048 177.584 0.098 0.000 1.176 81 A CA 1.146 53.230 52.037 0.079 0.000 0.628 81 A CB -0.485 18.561 19.000 0.078 0.000 0.816 81 A HN 0.228 nan 8.150 nan 0.000 0.444 82 V N 0.152 120.135 119.914 0.115 0.000 2.332 82 V HA -0.252 3.866 4.120 -0.002 0.000 0.248 82 V C 2.589 178.737 176.094 0.091 0.000 1.055 82 V CA 2.408 64.781 62.300 0.121 0.000 1.038 82 V CB -0.773 31.145 31.823 0.157 0.000 0.651 82 V HN 0.509 nan 8.190 nan 0.000 0.450 83 E N 0.006 120.252 120.200 0.077 0.000 2.077 83 E HA -0.155 4.193 4.350 -0.002 0.000 0.193 83 E C 2.156 178.785 176.600 0.049 0.000 0.989 83 E CA 1.212 57.641 56.400 0.049 0.000 0.800 83 E CB -0.659 29.062 29.700 0.034 0.000 0.746 83 E HN 0.426 nan 8.360 nan 0.000 0.452 84 V N 0.868 120.816 119.914 0.057 0.000 2.295 84 V HA -0.285 3.833 4.120 -0.002 0.000 0.246 84 V C 2.243 178.380 176.094 0.071 0.000 1.049 84 V CA 1.894 64.230 62.300 0.059 0.000 1.024 84 V CB -0.942 30.920 31.823 0.064 0.000 0.648 84 V HN 0.340 nan 8.190 nan 0.000 0.447 85 A N -0.446 122.426 122.820 0.086 0.000 1.908 85 A HA -0.257 4.062 4.320 -0.002 0.000 0.218 85 A C 2.308 179.940 177.584 0.080 0.000 1.181 85 A CA 2.108 54.203 52.037 0.095 0.000 0.627 85 A CB -0.421 18.644 19.000 0.109 0.000 0.818 85 A HN 0.559 nan 8.150 nan 0.000 0.445 86 K N -0.705 119.737 120.400 0.069 0.000 2.031 86 K HA -0.105 4.214 4.320 -0.002 0.000 0.205 86 K C 2.385 179.011 176.600 0.043 0.000 1.049 86 K CA 1.412 57.731 56.287 0.054 0.000 0.939 86 K CB -0.142 32.384 32.500 0.043 0.000 0.717 86 K HN 0.322 nan 8.250 nan 0.000 0.438 87 K N 1.184 121.607 120.400 0.039 0.000 2.097 87 K HA -0.083 4.236 4.320 -0.002 0.000 0.205 87 K C 1.591 178.211 176.600 0.033 0.000 1.050 87 K CA 1.238 57.542 56.287 0.029 0.000 0.938 87 K CB -0.067 32.447 32.500 0.024 0.000 0.718 87 K HN 0.179 nan 8.250 nan 0.000 0.442 88 E N 0.342 120.569 120.200 0.044 0.000 2.489 88 E HA 0.101 4.449 4.350 -0.002 0.000 0.193 88 E C -0.087 176.545 176.600 0.053 0.000 1.057 88 E CA 0.192 56.620 56.400 0.046 0.000 0.866 88 E CB 0.079 29.813 29.700 0.057 0.000 0.916 88 E HN 0.469 nan 8.360 nan 0.000 0.500 89 K N 0.316 120.749 120.400 0.055 0.000 3.150 89 K HA -0.151 4.168 4.320 -0.002 0.000 0.267 89 K C 0.274 176.917 176.600 0.071 0.000 1.028 89 K CA 0.504 56.826 56.287 0.058 0.000 0.753 89 K CB -2.182 30.345 32.500 0.046 0.000 1.288 89 K HN 0.119 nan 8.250 nan 0.000 0.473 90 V N -2.031 117.935 119.914 0.087 0.000 2.963 90 V HA 0.040 4.158 4.120 -0.002 0.000 0.306 90 V C 1.252 177.409 176.094 0.104 0.000 1.077 90 V CA 0.013 62.376 62.300 0.105 0.000 1.124 90 V CB 1.412 33.313 31.823 0.130 0.000 0.987 90 V HN 0.347 nan 8.190 nan 0.000 0.487 91 E N 2.636 122.902 120.200 0.111 0.000 2.415 91 E HA 0.520 4.868 4.350 -0.002 0.000 0.197 91 E C 0.538 177.225 176.600 0.144 0.000 1.007 91 E CA 0.717 57.184 56.400 0.112 0.000 0.890 91 E CB 0.950 30.710 29.700 0.101 0.000 0.891 91 E HN 1.023 nan 8.360 nan 0.000 0.496 92 A N 0.301 123.221 122.820 0.167 0.000 2.599 92 A HA 0.571 4.890 4.320 -0.002 0.000 0.290 92 A C -1.422 176.287 177.584 0.208 0.000 1.101 92 A CA -0.665 51.503 52.037 0.219 0.000 0.674 92 A CB 1.496 20.716 19.000 0.367 0.000 1.277 92 A HN -0.040 nan 8.150 nan 0.000 0.419 93 V N 0.858 120.903 119.914 0.219 0.000 2.448 93 V HA 0.578 4.696 4.120 -0.002 0.000 0.295 93 V C -0.888 175.340 176.094 0.223 0.000 1.025 93 V CA -0.417 62.002 62.300 0.199 0.000 0.859 93 V CB 1.224 33.142 31.823 0.158 0.000 0.988 93 V HN 0.836 nan 8.190 nan 0.000 0.431 94 L N 5.016 126.350 121.223 0.185 0.000 2.294 94 L HA 0.868 5.206 4.340 -0.002 0.000 0.283 94 L C 0.394 177.338 176.870 0.124 0.000 1.015 94 L CA 0.136 55.042 54.840 0.109 0.000 0.831 94 L CB 0.984 42.990 42.059 -0.088 0.000 1.217 94 L HN 0.696 nan 8.230 nan 0.000 0.420 95 G N 4.538 113.413 108.800 0.124 0.000 2.332 95 G HA2 0.579 4.538 3.960 -0.002 0.000 0.310 95 G HA3 0.579 4.538 3.960 -0.002 0.000 0.310 95 G C -1.361 173.613 174.900 0.123 0.000 1.123 95 G CA -0.413 44.783 45.100 0.160 0.000 0.873 95 G HN 0.472 nan 8.290 nan 0.000 0.460 96 V N 2.260 122.299 119.914 0.209 0.000 2.380 96 V HA 0.899 5.018 4.120 -0.002 0.000 0.286 96 V C 0.635 176.854 176.094 0.208 0.000 1.015 96 V CA 0.548 62.945 62.300 0.161 0.000 0.834 96 V CB 0.525 32.446 31.823 0.163 0.000 1.009 96 V HN 1.453 nan 8.190 nan 0.000 0.428 97 G N 3.453 112.335 108.800 0.137 0.000 2.356 97 G HA2 0.474 4.433 3.960 -0.002 0.000 0.266 97 G HA3 0.474 4.433 3.960 -0.002 0.000 0.266 97 G C -0.098 174.864 174.900 0.103 0.000 1.312 97 G CA 0.063 45.244 45.100 0.135 0.000 0.922 97 G HN 0.957 nan 8.290 nan 0.000 0.480 98 G N -1.069 107.793 108.800 0.103 0.000 2.510 98 G HA2 0.555 4.513 3.960 -0.002 0.000 0.280 98 G HA3 0.555 4.513 3.960 -0.002 0.000 0.280 98 G C 1.461 176.416 174.900 0.093 0.000 1.386 98 G CA 0.598 45.756 45.100 0.095 0.000 1.047 98 G HN 1.727 nan 8.290 nan 0.000 0.527 99 G N -0.491 108.367 108.800 0.096 0.000 2.442 99 G HA2 -0.185 3.773 3.960 -0.002 0.000 0.219 99 G HA3 -0.185 3.773 3.960 -0.002 0.000 0.219 99 G C 2.016 176.959 174.900 0.071 0.000 1.141 99 G CA 1.614 46.767 45.100 0.088 0.000 0.763 99 G HN 0.515 nan 8.290 nan 0.000 0.554 100 S N -0.342 115.400 115.700 0.070 0.000 2.382 100 S HA -0.101 4.367 4.470 -0.002 0.000 0.228 100 S C 2.490 177.125 174.600 0.058 0.000 1.027 100 S CA 1.195 59.425 58.200 0.051 0.000 0.991 100 S CB -0.143 63.086 63.200 0.048 0.000 0.823 100 S HN 0.216 nan 8.310 nan 0.000 0.469 101 V N 0.994 120.956 119.914 0.080 0.000 2.407 101 V HA -0.063 4.055 4.120 -0.002 0.000 0.245 101 V C 2.245 178.396 176.094 0.094 0.000 1.041 101 V CA 1.151 63.510 62.300 0.099 0.000 1.040 101 V CB -0.570 31.336 31.823 0.138 0.000 0.671 101 V HN 0.326 nan 8.190 nan 0.000 0.455 102 V N 0.285 120.249 119.914 0.083 0.000 2.358 102 V HA -0.227 3.892 4.120 -0.002 0.000 0.246 102 V C 2.248 178.376 176.094 0.056 0.000 1.047 102 V CA 2.087 64.428 62.300 0.069 0.000 1.035 102 V CB -0.730 31.126 31.823 0.055 0.000 0.658 102 V HN 0.513 nan 8.190 nan 0.000 0.452 103 D N 0.293 120.724 120.400 0.052 0.000 2.123 103 D HA -0.136 4.502 4.640 -0.002 0.000 0.196 103 D C 2.443 178.789 176.300 0.077 0.000 0.992 103 D CA 1.734 55.767 54.000 0.055 0.000 0.833 103 D CB -0.300 40.530 40.800 0.050 0.000 0.954 103 D HN 0.355 nan 8.370 nan 0.000 0.455 104 S N 0.086 115.827 115.700 0.068 0.000 2.382 104 S HA -0.134 4.335 4.470 -0.002 0.000 0.228 104 S C 2.073 176.728 174.600 0.091 0.000 1.027 104 S CA 1.019 59.261 58.200 0.070 0.000 0.991 104 S CB -0.268 62.963 63.200 0.051 0.000 0.823 104 S HN 0.380 nan 8.310 nan 0.000 0.469 105 A N 1.900 124.777 122.820 0.094 0.000 1.902 105 A HA -0.153 4.166 4.320 -0.002 0.000 0.217 105 A C 2.046 179.685 177.584 0.092 0.000 1.181 105 A CA 1.554 53.654 52.037 0.104 0.000 0.623 105 A CB -0.458 18.606 19.000 0.107 0.000 0.818 105 A HN 0.460 nan 8.150 nan 0.000 0.443 106 K N -0.321 120.123 120.400 0.073 0.000 2.063 106 K HA -0.090 4.228 4.320 -0.002 0.000 0.208 106 K C 2.274 178.930 176.600 0.094 0.000 1.048 106 K CA 1.266 57.587 56.287 0.057 0.000 0.928 106 K CB -0.331 32.183 32.500 0.024 0.000 0.713 106 K HN 0.446 nan 8.250 nan 0.000 0.442 107 A N 0.871 123.774 122.820 0.138 0.000 1.929 107 A HA -0.079 4.240 4.320 -0.002 0.000 0.216 107 A C 2.337 180.030 177.584 0.183 0.000 1.176 107 A CA 1.126 53.286 52.037 0.205 0.000 0.628 107 A CB -0.428 18.729 19.000 0.262 0.000 0.816 107 A HN 0.069 nan 8.150 nan 0.000 0.444 108 V N -0.190 119.812 119.914 0.147 0.000 2.453 108 V HA -0.189 3.929 4.120 -0.002 0.000 0.247 108 V C 3.017 179.195 176.094 0.141 0.000 1.048 108 V CA 1.706 64.093 62.300 0.144 0.000 1.049 108 V CB -1.104 30.796 31.823 0.127 0.000 0.672 108 V HN 0.589 nan 8.190 nan 0.000 0.457 109 A N 0.065 122.960 122.820 0.124 0.000 1.933 109 A HA -0.102 4.217 4.320 -0.002 0.000 0.218 109 A C 2.401 180.057 177.584 0.120 0.000 1.175 109 A CA 2.097 54.200 52.037 0.111 0.000 0.628 109 A CB -0.661 18.388 19.000 0.082 0.000 0.814 109 A HN 0.548 nan 8.150 nan 0.000 0.444 110 A N -0.547 122.350 122.820 0.128 0.000 1.854 110 A HA 0.200 4.518 4.320 -0.002 0.000 0.214 110 A C 2.434 180.151 177.584 0.223 0.000 1.192 110 A CA 1.728 53.858 52.037 0.154 0.000 0.611 110 A CB -1.423 17.652 19.000 0.125 0.000 0.832 110 A HN 0.750 nan 8.150 nan 0.000 0.442 111 G N -0.470 108.470 108.800 0.234 0.000 2.462 111 G HA2 0.016 3.974 3.960 -0.002 0.000 0.220 111 G HA3 0.016 3.974 3.960 -0.002 0.000 0.220 111 G C 1.601 176.629 174.900 0.213 0.000 1.121 111 G CA 1.310 46.571 45.100 0.270 0.000 0.758 111 G HN 0.812 nan 8.290 nan 0.000 0.559 112 A N 0.155 123.077 122.820 0.171 0.000 2.070 112 A HA 0.212 4.530 4.320 -0.002 0.000 0.220 112 A C 2.013 179.674 177.584 0.128 0.000 1.159 112 A CA 0.769 52.886 52.037 0.133 0.000 0.656 112 A CB -0.156 18.917 19.000 0.121 0.000 0.800 112 A HN 0.374 nan 8.150 nan 0.000 0.453 113 L N -1.603 119.717 121.223 0.162 0.000 2.818 113 L HA 0.275 4.614 4.340 -0.002 0.000 0.243 113 L C -0.149 176.850 176.870 0.214 0.000 1.185 113 L CA -0.252 54.684 54.840 0.161 0.000 0.988 113 L CB 0.070 42.222 42.059 0.156 0.000 1.292 113 L HN 0.436 nan 8.230 nan 0.000 0.519 114 Y N 0.059 120.371 120.300 0.019 0.000 2.391 114 Y HA 0.263 4.812 4.550 -0.002 0.000 0.341 114 Y C 0.903 176.745 175.900 -0.095 0.000 0.965 114 Y CA -1.145 56.892 58.100 -0.105 0.000 1.067 114 Y CB 1.786 40.107 38.460 -0.231 0.000 1.199 114 Y HN -0.027 nan 8.280 nan 0.000 0.450 115 E N 2.833 122.686 120.200 -0.579 0.000 2.208 115 E HA 0.123 4.472 4.350 -0.002 0.000 0.193 115 E C 0.833 177.044 176.600 -0.649 0.000 0.988 115 E CA 1.225 57.332 56.400 -0.487 0.000 0.828 115 E CB -0.104 29.380 29.700 -0.359 0.000 0.763 115 E HN 0.881 nan 8.360 nan 0.000 0.478 116 G N -0.643 107.344 108.800 -1.355 0.000 2.641 116 G HA2 0.125 4.084 3.960 -0.002 0.000 0.239 116 G HA3 0.125 4.084 3.960 -0.002 0.000 0.239 116 G C -0.862 173.870 174.900 -0.280 0.000 1.402 116 G CA -0.265 44.363 45.100 -0.787 0.000 1.046 116 G HN 0.141 nan 8.290 nan 0.000 0.565 117 D N -0.398 120.034 120.400 0.053 0.000 2.325 117 D HA 0.081 4.719 4.640 -0.002 0.000 0.251 117 D C 1.155 177.766 176.300 0.519 0.000 1.196 117 D CA -0.605 53.556 54.000 0.270 0.000 0.866 117 D CB 1.285 42.240 40.800 0.258 0.000 1.101 117 D HN 0.041 nan 8.370 nan 0.000 0.476 118 I N 5.753 126.645 120.570 0.538 0.000 2.850 118 I HA -0.105 4.063 4.170 -0.002 0.000 0.266 118 I C 1.720 178.167 176.117 0.549 0.000 1.257 118 I CA 0.607 62.211 61.300 0.506 0.000 1.465 118 I CB -0.291 37.974 38.000 0.441 0.000 1.091 118 I HN 0.611 nan 8.210 nan 0.000 0.467 119 W N 0.988 122.507 121.300 0.365 0.000 2.387 119 W HA -0.258 4.400 4.660 -0.003 0.000 0.272 119 W C 1.547 178.300 176.519 0.389 0.000 1.224 119 W CA 1.213 58.759 57.345 0.335 0.000 1.210 119 W CB -0.134 29.428 29.460 0.170 0.000 1.125 119 W HN 0.197 nan 8.180 nan 0.000 0.572 120 D N 0.743 121.329 120.400 0.310 0.000 2.158 120 D HA -0.189 4.450 4.640 -0.002 0.000 0.197 120 D C 2.328 178.639 176.300 0.019 0.000 0.995 120 D CA 1.962 56.056 54.000 0.157 0.000 0.846 120 D CB -0.718 40.233 40.800 0.252 0.000 0.941 120 D HN 0.190 nan 8.370 nan 0.000 0.456 121 A N -0.404 122.439 122.820 0.039 0.000 2.067 121 A HA -0.107 4.212 4.320 -0.002 0.000 0.219 121 A C 1.624 178.953 177.584 -0.424 0.000 1.158 121 A CA 0.704 52.623 52.037 -0.197 0.000 0.661 121 A CB -0.660 18.177 19.000 -0.272 0.000 0.801 121 A HN 0.175 nan 8.150 nan 0.000 0.452 122 F N -0.577 119.117 119.950 -0.425 0.000 2.776 122 F HA 0.225 4.750 4.527 -0.003 0.000 0.300 122 F C 1.343 176.837 175.800 -0.511 0.000 1.116 122 F CA 0.431 58.107 58.000 -0.540 0.000 1.375 122 F CB 0.184 38.626 39.000 -0.929 0.000 1.109 122 F HN 0.313 nan 8.300 nan 0.000 0.585 123 I N -3.807 116.581 120.570 -0.303 0.000 3.817 123 I HA 0.573 4.742 4.170 -0.002 0.000 0.325 123 I C 1.059 177.106 176.117 -0.117 0.000 1.550 123 I CA -0.085 61.104 61.300 -0.184 0.000 1.100 123 I CB 0.280 38.228 38.000 -0.086 0.000 1.216 123 I HN 0.050 nan 8.210 nan 0.000 0.481 124 G N 2.341 111.054 108.800 -0.144 0.000 2.176 124 G HA2 -0.294 3.665 3.960 -0.002 0.000 0.252 124 G HA3 -0.294 3.665 3.960 -0.002 0.000 0.252 124 G C 0.514 175.385 174.900 -0.049 0.000 1.024 124 G CA 0.569 45.604 45.100 -0.109 0.000 0.755 124 G HN 0.606 nan 8.290 nan 0.000 0.507 125 K N -1.380 119.012 120.400 -0.013 0.000 2.358 125 K HA 0.321 4.639 4.320 -0.002 0.000 0.200 125 K C -0.183 176.493 176.600 0.127 0.000 1.030 125 K CA -0.111 56.211 56.287 0.059 0.000 1.097 125 K CB 0.897 33.453 32.500 0.093 0.000 0.862 125 K HN 0.423 nan 8.250 nan 0.000 0.534 126 Y N 0.796 121.020 120.300 -0.128 0.000 2.390 126 Y HA 0.233 4.782 4.550 -0.003 0.000 0.324 126 Y C -1.860 173.898 175.900 -0.236 0.000 1.151 126 Y CA -1.469 56.503 58.100 -0.213 0.000 1.053 126 Y CB 1.506 39.693 38.460 -0.456 0.000 1.277 126 Y HN -0.198 nan 8.280 nan 0.000 0.432 127 Q N 5.697 125.147 119.800 -0.583 0.000 2.340 127 Q HA 0.533 4.871 4.340 -0.002 0.000 0.259 127 Q C -1.141 174.295 176.000 -0.939 0.000 0.964 127 Q CA -0.239 55.217 55.803 -0.579 0.000 0.900 127 Q CB 0.611 29.165 28.738 -0.307 0.000 1.228 127 Q HN 0.698 nan 8.270 nan 0.000 0.449 128 I N 4.480 124.546 120.570 -0.841 0.000 2.494 128 I HA 0.007 4.176 4.170 -0.002 0.000 0.289 128 I C 0.934 176.835 176.117 -0.359 0.000 1.106 128 I CA 0.210 61.091 61.300 -0.698 0.000 1.369 128 I CB 0.674 38.421 38.000 -0.421 0.000 1.410 128 I HN 0.674 nan 8.210 nan 0.000 0.523 129 E N 4.280 124.322 120.200 -0.263 0.000 2.340 129 E HA 0.016 4.364 4.350 -0.002 0.000 0.198 129 E C 0.196 176.763 176.600 -0.054 0.000 0.961 129 E CA 0.351 56.676 56.400 -0.124 0.000 0.905 129 E CB 0.446 30.096 29.700 -0.084 0.000 0.884 129 E HN 0.519 nan 8.360 nan 0.000 0.491 130 K N -0.259 120.131 120.400 -0.018 0.000 2.435 130 K HA 0.889 5.208 4.320 -0.002 0.000 0.251 130 K C -0.751 175.878 176.600 0.048 0.000 0.954 130 K CA -0.743 55.558 56.287 0.023 0.000 0.820 130 K CB 2.235 34.764 32.500 0.050 0.000 1.292 130 K HN 0.128 nan 8.250 nan 0.000 0.436 131 A N 1.432 124.279 122.820 0.045 0.000 2.587 131 A HA 0.703 5.022 4.320 -0.002 0.000 0.293 131 A C -0.702 176.917 177.584 0.059 0.000 1.087 131 A CA -1.170 50.904 52.037 0.062 0.000 0.692 131 A CB 0.970 19.993 19.000 0.040 0.000 1.291 131 A HN 0.833 nan 8.150 nan 0.000 0.407 132 L N 1.303 122.572 121.223 0.076 0.000 2.499 132 L HA 0.183 4.521 4.340 -0.002 0.000 0.281 132 L C -1.938 174.961 176.870 0.048 0.000 1.234 132 L CA -1.210 53.676 54.840 0.077 0.000 0.839 132 L CB 0.032 42.152 42.059 0.102 0.000 1.104 132 L HN 0.429 nan 8.230 nan 0.000 0.500 133 P HA 0.094 nan 4.420 nan 0.000 0.266 133 P C -0.829 176.426 177.300 -0.075 0.000 1.195 133 P CA 0.403 63.471 63.100 -0.054 0.000 0.768 133 P CB 0.427 32.131 31.700 0.006 0.000 0.838 134 I N 3.355 123.770 120.570 -0.257 0.000 2.433 134 I HA 0.408 4.577 4.170 -0.002 0.000 0.292 134 I C -0.307 175.538 176.117 -0.453 0.000 1.001 134 I CA -0.483 60.713 61.300 -0.173 0.000 1.119 134 I CB 0.902 38.851 38.000 -0.086 0.000 1.289 134 I HN 0.166 nan 8.210 nan 0.000 0.438 135 F N 3.982 123.937 119.950 0.009 0.000 2.546 135 F HA 0.556 5.081 4.527 -0.003 0.000 0.320 135 F C -0.283 175.504 175.800 -0.022 0.000 1.076 135 F CA -0.773 57.218 58.000 -0.015 0.000 0.928 135 F CB 1.767 40.740 39.000 -0.046 0.000 1.189 135 F HN 0.423 nan 8.300 nan 0.000 0.465 136 D N 0.068 120.558 120.400 0.149 0.000 2.753 136 D HA 0.459 5.098 4.640 -0.002 0.000 0.224 136 D C -1.798 174.525 176.300 0.040 0.000 1.213 136 D CA -0.499 53.546 54.000 0.076 0.000 0.833 136 D CB 2.367 43.205 40.800 0.062 0.000 1.607 136 D HN 0.278 nan 8.370 nan 0.000 0.463 137 V N 1.745 121.661 119.914 0.003 0.000 2.313 137 V HA 0.226 4.345 4.120 -0.002 0.000 0.278 137 V C -0.104 175.997 176.094 0.013 0.000 1.017 137 V CA -0.797 61.493 62.300 -0.018 0.000 0.823 137 V CB 0.974 32.751 31.823 -0.076 0.000 1.010 137 V HN 0.496 nan 8.190 nan 0.000 0.443 138 L N 5.360 126.595 121.223 0.020 0.000 2.290 138 L HA 0.488 4.826 4.340 -0.002 0.000 0.284 138 L C 1.249 178.131 176.870 0.019 0.000 1.078 138 L CA 0.842 55.704 54.840 0.037 0.000 0.815 138 L CB 1.737 43.828 42.059 0.053 0.000 1.162 138 L HN 0.791 nan 8.230 nan 0.000 0.435 139 T N 2.365 116.941 114.554 0.037 0.000 3.044 139 T HA 0.316 4.664 4.350 -0.002 0.000 0.260 139 T C 0.273 174.998 174.700 0.041 0.000 1.019 139 T CA 0.043 62.159 62.100 0.026 0.000 0.921 139 T CB -0.227 68.665 68.868 0.039 0.000 1.053 139 T HN 0.439 nan 8.240 nan 0.000 0.533 140 I N 0.726 121.332 120.570 0.060 0.000 2.610 140 I HA 0.568 4.737 4.170 -0.002 0.000 0.289 140 I C -1.665 174.506 176.117 0.090 0.000 1.163 140 I CA -0.722 60.624 61.300 0.076 0.000 1.044 140 I CB 2.188 40.242 38.000 0.091 0.000 1.251 140 I HN -0.089 nan 8.210 nan 0.000 0.424 141 S N 5.912 121.669 115.700 0.095 0.000 2.438 141 S HA 0.824 5.293 4.470 -0.002 0.000 0.293 141 S C 0.378 175.054 174.600 0.128 0.000 1.141 141 S CA 0.342 58.609 58.200 0.112 0.000 1.080 141 S CB 1.600 64.868 63.200 0.114 0.000 0.978 141 S HN 0.843 nan 8.310 nan 0.000 0.479 142 A N 2.823 125.731 122.820 0.147 0.000 1.838 142 A HA 0.122 4.441 4.320 -0.002 0.000 0.193 142 A C 1.516 179.236 177.584 0.226 0.000 1.607 142 A CA 0.417 52.556 52.037 0.169 0.000 1.618 142 A CB -0.711 18.398 19.000 0.183 0.000 1.539 142 A HN 0.692 nan 8.150 nan 0.000 0.618 143 T N -2.971 111.736 114.554 0.255 0.000 3.037 143 T HA 0.421 4.769 4.350 -0.002 0.000 0.251 143 T C 1.679 176.544 174.700 0.276 0.000 1.079 143 T CA 1.421 63.752 62.100 0.384 0.000 1.067 143 T CB 0.409 69.442 68.868 0.274 0.000 0.948 143 T HN 2.200 nan 8.240 nan 0.000 0.496 144 G N 0.843 109.741 108.800 0.162 0.000 2.175 144 G HA2 -0.358 3.600 3.960 -0.002 0.000 0.265 144 G HA3 -0.358 3.600 3.960 -0.002 0.000 0.265 144 G C 0.903 175.804 174.900 0.003 0.000 0.979 144 G CA 1.020 46.159 45.100 0.066 0.000 0.663 144 G HN 0.662 nan 8.290 nan 0.000 0.533 145 T N 0.984 115.551 114.554 0.021 0.000 2.849 145 T HA -0.135 4.214 4.350 -0.002 0.000 0.270 145 T C 2.304 176.977 174.700 -0.045 0.000 1.066 145 T CA 2.111 64.191 62.100 -0.033 0.000 1.130 145 T CB -0.296 68.574 68.868 0.003 0.000 0.864 145 T HN 0.769 nan 8.240 nan 0.000 0.481 146 E N 0.249 120.451 120.200 0.004 0.000 2.333 146 E HA -0.129 4.219 4.350 -0.002 0.000 0.198 146 E C 1.337 177.941 176.600 0.006 0.000 1.007 146 E CA 0.895 57.308 56.400 0.021 0.000 0.845 146 E CB -0.286 29.456 29.700 0.070 0.000 0.766 146 E HN 0.548 nan 8.360 nan 0.000 0.507 147 M N 1.137 120.716 119.600 -0.035 0.000 3.181 147 M HA 0.153 4.631 4.480 -0.002 0.000 0.422 147 M C -1.138 175.070 176.300 -0.153 0.000 1.481 147 M CA -0.300 54.983 55.300 -0.028 0.000 0.783 147 M CB 0.327 32.943 32.600 0.027 0.000 1.437 147 M HN 0.066 nan 8.290 nan 0.000 0.505 148 N N -2.103 116.369 118.700 -0.380 0.000 3.039 148 N HA 0.496 5.234 4.740 -0.002 0.000 0.257 148 N C 0.053 174.901 175.510 -1.103 0.000 1.497 148 N CA -0.556 52.004 53.050 -0.817 0.000 0.861 148 N CB 0.597 38.824 38.487 -0.435 0.000 1.479 148 N HN -0.045 nan 8.380 nan 0.000 0.547 149 G N -1.002 107.077 108.800 -1.201 0.000 3.523 149 G HA2 0.167 4.125 3.960 -0.002 0.000 0.270 149 G HA3 0.167 4.125 3.960 -0.002 0.000 0.270 149 G C -0.639 174.050 174.900 -0.351 0.000 1.134 149 G CA -0.327 44.355 45.100 -0.697 0.000 0.825 149 G HN 0.494 nan 8.290 nan 0.000 0.534 150 N N 0.865 119.375 118.700 -0.317 0.000 2.456 150 N HA 0.705 5.443 4.740 -0.002 0.000 0.296 150 N C -0.527 174.906 175.510 -0.129 0.000 1.102 150 N CA -0.171 52.747 53.050 -0.220 0.000 0.924 150 N CB 2.097 40.447 38.487 -0.229 0.000 1.186 150 N HN 0.163 nan 8.380 nan 0.000 0.492 151 A N 0.604 123.384 122.820 -0.067 0.000 2.488 151 A HA 0.614 4.933 4.320 -0.002 0.000 0.298 151 A C -1.304 176.387 177.584 0.178 0.000 1.044 151 A CA -0.581 51.487 52.037 0.053 0.000 0.693 151 A CB 1.121 20.187 19.000 0.111 0.000 1.272 151 A HN 0.327 nan 8.150 nan 0.000 0.402 152 V N 3.900 123.902 119.914 0.146 0.000 2.444 152 V HA 0.554 4.672 4.120 -0.002 0.000 0.294 152 V C -0.725 175.389 176.094 0.033 0.000 1.022 152 V CA -0.435 61.936 62.300 0.119 0.000 0.850 152 V CB 1.367 33.151 31.823 -0.065 0.000 0.992 152 V HN 0.734 nan 8.190 nan 0.000 0.426 153 I N 2.945 123.487 120.570 -0.047 0.000 2.689 153 I HA 0.477 4.646 4.170 -0.002 0.000 0.299 153 I C 0.139 176.149 176.117 -0.178 0.000 1.059 153 I CA -0.337 60.841 61.300 -0.203 0.000 1.055 153 I CB 2.503 40.240 38.000 -0.438 0.000 1.243 153 I HN 0.471 nan 8.210 nan 0.000 0.425 154 T N 4.030 118.452 114.554 -0.220 0.000 2.767 154 T HA 0.204 4.553 4.350 -0.002 0.000 0.284 154 T C 0.278 174.703 174.700 -0.458 0.000 0.973 154 T CA -0.443 61.488 62.100 -0.282 0.000 0.996 154 T CB 0.535 69.268 68.868 -0.225 0.000 0.927 154 T HN 0.393 nan 8.240 nan 0.000 0.456 155 N N 2.770 121.022 118.700 -0.746 0.000 2.439 155 N HA 0.063 4.801 4.740 -0.002 0.000 0.243 155 N C 0.833 176.014 175.510 -0.548 0.000 1.088 155 N CA -0.334 52.148 53.050 -0.946 0.000 0.940 155 N CB 0.924 38.363 38.487 -1.746 0.000 1.180 155 N HN 0.498 nan 8.380 nan 0.000 0.505 156 E N 2.867 122.831 120.200 -0.392 0.000 2.204 156 E HA -0.127 4.221 4.350 -0.002 0.000 0.194 156 E C 1.170 177.630 176.600 -0.234 0.000 0.989 156 E CA 1.197 57.438 56.400 -0.264 0.000 0.824 156 E CB 0.123 29.705 29.700 -0.198 0.000 0.756 156 E HN 0.588 nan 8.360 nan 0.000 0.477 157 K N 0.068 120.310 120.400 -0.263 0.000 2.097 157 K HA -0.084 4.235 4.320 -0.002 0.000 0.206 157 K C 1.791 178.282 176.600 -0.182 0.000 1.049 157 K CA 1.787 57.953 56.287 -0.200 0.000 0.933 157 K CB -0.116 32.263 32.500 -0.202 0.000 0.717 157 K HN 0.335 nan 8.250 nan 0.000 0.442 158 T N -2.674 111.739 114.554 -0.235 0.000 3.040 158 T HA 0.209 4.558 4.350 -0.002 0.000 0.266 158 T C 0.011 174.614 174.700 -0.161 0.000 1.005 158 T CA -0.506 61.495 62.100 -0.166 0.000 0.906 158 T CB 0.156 68.936 68.868 -0.145 0.000 1.082 158 T HN 0.052 nan 8.240 nan 0.000 0.531 159 K N 1.489 121.765 120.400 -0.206 0.000 3.077 159 K HA -0.157 4.161 4.320 -0.002 0.000 0.264 159 K C -0.905 175.578 176.600 -0.195 0.000 1.008 159 K CA 0.643 56.817 56.287 -0.188 0.000 0.740 159 K CB -1.575 30.839 32.500 -0.143 0.000 1.273 159 K HN 0.668 nan 8.250 nan 0.000 0.477 160 E N 1.307 121.325 120.200 -0.304 0.000 2.129 160 E HA 0.191 4.540 4.350 -0.002 0.000 0.268 160 E C -0.506 175.815 176.600 -0.465 0.000 0.900 160 E CA -0.603 55.516 56.400 -0.470 0.000 0.755 160 E CB 1.521 30.846 29.700 -0.623 0.000 1.117 160 E HN 0.092 nan 8.360 nan 0.000 0.410 161 K N 4.296 124.521 120.400 -0.292 0.000 2.347 161 K HA 0.240 4.558 4.320 -0.002 0.000 0.262 161 K C -1.484 175.174 176.600 0.097 0.000 1.052 161 K CA -0.424 55.775 56.287 -0.147 0.000 0.946 161 K CB 0.395 32.809 32.500 -0.144 0.000 1.220 161 K HN 0.320 nan 8.250 nan 0.000 0.450 162 Y N 0.473 120.863 120.300 0.151 0.000 2.524 162 Y HA 0.551 5.099 4.550 -0.003 0.000 0.344 162 Y C 0.724 176.793 175.900 0.281 0.000 1.012 162 Y CA -1.506 56.722 58.100 0.213 0.000 1.068 162 Y CB 2.024 40.593 38.460 0.181 0.000 1.249 162 Y HN 0.625 nan 8.280 nan 0.000 0.468 163 G N 0.319 109.365 108.800 0.411 0.000 2.410 163 G HA2 0.574 4.532 3.960 -0.002 0.000 0.330 163 G HA3 0.574 4.532 3.960 -0.002 0.000 0.330 163 G C -1.510 173.363 174.900 -0.046 0.000 1.142 163 G CA -0.667 44.569 45.100 0.227 0.000 0.902 163 G HN 0.540 nan 8.290 nan 0.000 0.491 164 V N -0.017 119.743 119.914 -0.256 0.000 3.040 164 V HA 0.852 4.970 4.120 -0.002 0.000 0.312 164 V C -0.656 175.247 176.094 -0.319 0.000 1.115 164 V CA -0.609 61.413 62.300 -0.464 0.000 0.998 164 V CB 2.569 33.844 31.823 -0.913 0.000 1.042 164 V HN 0.831 nan 8.190 nan 0.000 0.433 165 S N 2.955 118.478 115.700 -0.295 0.000 2.614 165 S HA 0.771 5.239 4.470 -0.002 0.000 0.288 165 S C -0.978 173.503 174.600 -0.198 0.000 1.137 165 S CA -0.468 57.592 58.200 -0.234 0.000 0.992 165 S CB 1.584 64.656 63.200 -0.213 0.000 1.026 165 S HN 1.040 nan 8.310 nan 0.000 0.486 166 S N 1.211 116.821 115.700 -0.150 0.000 2.537 166 S HA 0.362 4.830 4.470 -0.002 0.000 0.270 166 S C 0.727 175.347 174.600 0.034 0.000 1.142 166 S CA -0.643 57.501 58.200 -0.094 0.000 0.870 166 S CB 1.467 64.579 63.200 -0.146 0.000 1.112 166 S HN 0.332 nan 8.310 nan 0.000 0.466 167 K N 1.956 122.396 120.400 0.066 0.000 2.152 167 K HA 0.008 4.326 4.320 -0.002 0.000 0.206 167 K C 2.160 178.838 176.600 0.130 0.000 1.048 167 K CA 1.542 57.909 56.287 0.134 0.000 0.933 167 K CB -0.975 31.523 32.500 -0.004 0.000 0.721 167 K HN 0.769 nan 8.250 nan 0.000 0.447 168 A N 0.163 123.006 122.820 0.037 0.000 2.168 168 A HA 0.139 4.458 4.320 -0.002 0.000 0.215 168 A C 1.820 179.418 177.584 0.024 0.000 1.152 168 A CA 0.911 52.957 52.037 0.015 0.000 0.716 168 A CB -0.371 18.616 19.000 -0.022 0.000 0.794 168 A HN 0.393 nan 8.150 nan 0.000 0.465 169 L N -1.680 119.560 121.223 0.029 0.000 2.607 169 L HA 0.176 4.514 4.340 -0.002 0.000 0.228 169 L C -0.213 176.632 176.870 -0.042 0.000 1.123 169 L CA -0.500 54.324 54.840 -0.026 0.000 0.890 169 L CB -0.264 41.742 42.059 -0.088 0.000 1.103 169 L HN 0.265 nan 8.230 nan 0.000 0.468 170 Y N 1.909 122.145 120.300 -0.106 0.000 2.632 170 Y HA 0.071 4.619 4.550 -0.002 0.000 0.329 170 Y C -1.788 174.036 175.900 -0.127 0.000 1.174 170 Y CA -2.192 55.838 58.100 -0.116 0.000 1.469 170 Y CB -0.407 37.968 38.460 -0.141 0.000 1.242 170 Y HN -0.074 nan 8.280 nan 0.000 0.540 171 P HA 0.002 nan 4.420 nan 0.000 0.269 171 P C 0.344 177.563 177.300 -0.135 0.000 1.209 171 P CA -0.254 62.787 63.100 -0.099 0.000 0.776 171 P CB 0.915 32.574 31.700 -0.067 0.000 0.876 172 K N 0.905 121.101 120.400 -0.339 0.000 2.025 172 K HA 0.040 4.358 4.320 -0.002 0.000 0.207 172 K C 0.423 176.934 176.600 -0.148 0.000 1.049 172 K CA 1.346 57.441 56.287 -0.320 0.000 0.933 172 K CB -0.210 31.906 32.500 -0.640 0.000 0.714 172 K HN 0.295 nan 8.250 nan 0.000 0.438 173 V N 0.559 120.392 119.914 -0.135 0.000 2.777 173 V HA 0.247 4.365 4.120 -0.002 0.000 0.306 173 V C -0.920 175.230 176.094 0.093 0.000 1.112 173 V CA -0.866 61.477 62.300 0.072 0.000 0.917 173 V CB 2.202 34.160 31.823 0.225 0.000 1.018 173 V HN -0.050 nan 8.190 nan 0.000 0.426 174 S N 4.891 120.647 115.700 0.092 0.000 2.519 174 S HA 0.716 5.184 4.470 -0.002 0.000 0.309 174 S C -0.534 174.126 174.600 0.100 0.000 1.100 174 S CA -0.441 57.815 58.200 0.093 0.000 1.059 174 S CB 1.327 64.583 63.200 0.093 0.000 1.008 174 S HN 0.569 nan 8.310 nan 0.000 0.478 175 I N 3.775 124.384 120.570 0.066 0.000 2.339 175 I HA 0.440 4.608 4.170 -0.002 0.000 0.290 175 I C -0.850 175.272 176.117 0.008 0.000 0.994 175 I CA -0.494 60.827 61.300 0.036 0.000 1.191 175 I CB 1.065 39.061 38.000 -0.006 0.000 1.343 175 I HN 0.480 nan 8.210 nan 0.000 0.458 176 I N 5.510 126.071 120.570 -0.014 0.000 2.420 176 I HA 0.211 4.379 4.170 -0.002 0.000 0.282 176 I C -0.597 175.326 176.117 -0.324 0.000 1.019 176 I CA -0.308 60.921 61.300 -0.118 0.000 1.130 176 I CB 1.329 39.308 38.000 -0.035 0.000 1.262 176 I HN 0.460 nan 8.210 nan 0.000 0.454 177 D N 8.982 129.242 120.400 -0.234 0.000 2.454 177 D HA 0.301 4.939 4.640 -0.002 0.000 0.225 177 D C -1.844 174.317 176.300 -0.232 0.000 1.081 177 D CA -2.317 51.540 54.000 -0.238 0.000 0.864 177 D CB 1.899 42.608 40.800 -0.150 0.000 1.040 177 D HN 0.141 nan 8.370 nan 0.000 0.517 178 P HA -0.120 nan 4.420 nan 0.000 0.222 178 P C 1.319 178.491 177.300 -0.212 0.000 1.147 178 P CA 0.830 63.790 63.100 -0.234 0.000 0.790 178 P CB 0.170 31.642 31.700 -0.379 0.000 0.780 179 S N -0.662 114.911 115.700 -0.210 0.000 2.423 179 S HA -0.109 4.360 4.470 -0.002 0.000 0.231 179 S C 1.869 175.949 174.600 -0.867 0.000 1.014 179 S CA 1.149 58.847 58.200 -0.836 0.000 0.965 179 S CB -1.818 61.051 63.200 -0.552 0.000 0.785 179 S HN 0.163 nan 8.310 nan 0.000 0.495 180 V N -0.422 119.259 119.914 -0.387 0.000 3.078 180 V HA -0.003 4.116 4.120 -0.002 0.000 0.265 180 V C 1.857 177.866 176.094 -0.142 0.000 1.122 180 V CA 1.358 63.519 62.300 -0.232 0.000 1.141 180 V CB -1.251 30.497 31.823 -0.123 0.000 0.735 180 V HN 0.523 nan 8.190 nan 0.000 0.498 181 Q N -0.920 118.797 119.800 -0.140 0.000 2.444 181 Q HA 0.160 4.498 4.340 -0.002 0.000 0.206 181 Q C 1.632 177.751 176.000 0.198 0.000 0.948 181 Q CA 0.443 56.266 55.803 0.034 0.000 0.946 181 Q CB -0.073 28.698 28.738 0.054 0.000 1.027 181 Q HN 0.655 nan 8.270 nan 0.000 0.513 182 F N 0.818 120.792 119.950 0.039 0.000 2.269 182 F HA -0.120 4.406 4.527 -0.002 0.000 0.301 182 F C 2.475 178.291 175.800 0.027 0.000 1.082 182 F CA 1.418 59.441 58.000 0.038 0.000 1.360 182 F CB -1.042 37.986 39.000 0.047 0.000 1.041 182 F HN 0.121 nan 8.300 nan 0.000 0.512 183 T N -2.143 112.540 114.554 0.215 0.000 3.129 183 T HA 0.155 4.503 4.350 -0.002 0.000 0.251 183 T C 0.796 175.549 174.700 0.087 0.000 1.117 183 T CA -0.054 62.121 62.100 0.126 0.000 1.034 183 T CB -0.612 68.311 68.868 0.092 0.000 0.968 183 T HN -0.028 nan 8.240 nan 0.000 0.526 184 L N 2.531 123.809 121.223 0.092 0.000 2.453 184 L HA 0.274 4.613 4.340 -0.002 0.000 0.272 184 L C -1.869 175.023 176.870 0.036 0.000 1.182 184 L CA -2.011 52.866 54.840 0.062 0.000 0.858 184 L CB 0.184 42.283 42.059 0.066 0.000 1.120 184 L HN 0.068 nan 8.230 nan 0.000 0.474 185 P HA -0.018 nan 4.420 nan 0.000 0.266 185 P C 0.218 177.489 177.300 -0.048 0.000 1.195 185 P CA -0.231 62.861 63.100 -0.014 0.000 0.768 185 P CB 0.562 32.251 31.700 -0.018 0.000 0.838 186 K N 2.678 123.039 120.400 -0.064 0.000 2.059 186 K HA -0.309 4.009 4.320 -0.002 0.000 0.212 186 K C 2.002 178.490 176.600 -0.186 0.000 1.050 186 K CA 2.434 58.662 56.287 -0.097 0.000 0.927 186 K CB -0.605 31.840 32.500 -0.091 0.000 0.714 186 K HN 0.445 nan 8.250 nan 0.000 0.447 187 E N 1.119 121.163 120.200 -0.260 0.000 2.118 187 E HA -0.241 4.108 4.350 -0.002 0.000 0.195 187 E C 1.985 178.164 176.600 -0.702 0.000 0.992 187 E CA 1.631 57.689 56.400 -0.569 0.000 0.804 187 E CB -0.629 28.757 29.700 -0.523 0.000 0.741 187 E HN 0.473 nan 8.360 nan 0.000 0.458 188 Q N -0.338 119.293 119.800 -0.282 0.000 2.123 188 Q HA -0.066 4.273 4.340 -0.002 0.000 0.199 188 Q C 2.526 178.512 176.000 -0.023 0.000 0.966 188 Q CA 1.822 57.581 55.803 -0.073 0.000 0.845 188 Q CB -0.592 28.166 28.738 0.033 0.000 0.907 188 Q HN 0.630 nan 8.270 nan 0.000 0.439 189 T N 1.100 115.629 114.554 -0.043 0.000 2.665 189 T HA -0.121 4.228 4.350 -0.002 0.000 0.268 189 T C 2.063 176.771 174.700 0.014 0.000 1.035 189 T CA 1.555 63.658 62.100 0.006 0.000 1.151 189 T CB -0.264 68.605 68.868 0.002 0.000 0.862 189 T HN 0.039 nan 8.240 nan 0.000 0.438 190 V N 0.267 120.138 119.914 -0.072 0.000 2.358 190 V HA -0.137 3.981 4.120 -0.002 0.000 0.246 190 V C 2.257 178.418 176.094 0.111 0.000 1.047 190 V CA 1.427 63.706 62.300 -0.035 0.000 1.035 190 V CB -0.746 30.980 31.823 -0.162 0.000 0.658 190 V HN 0.455 nan 8.190 nan 0.000 0.452 191 Y N 1.436 121.757 120.300 0.036 0.000 2.207 191 Y HA -0.112 4.436 4.550 -0.003 0.000 0.287 191 Y C 2.546 178.480 175.900 0.058 0.000 1.156 191 Y CA 0.975 59.098 58.100 0.040 0.000 1.182 191 Y CB -1.503 36.984 38.460 0.044 0.000 0.979 191 Y HN 0.266 nan 8.280 nan 0.000 0.521 192 G N -0.620 108.315 108.800 0.226 0.000 2.402 192 G HA2 -0.152 3.806 3.960 -0.002 0.000 0.216 192 G HA3 -0.152 3.806 3.960 -0.002 0.000 0.216 192 G C 1.987 176.973 174.900 0.143 0.000 1.162 192 G CA 1.080 46.283 45.100 0.173 0.000 0.777 192 G HN 0.459 nan 8.290 nan 0.000 0.539 193 A N 0.309 123.220 122.820 0.151 0.000 1.883 193 A HA -0.009 4.310 4.320 -0.002 0.000 0.217 193 A C 2.615 180.302 177.584 0.172 0.000 1.186 193 A CA 2.031 54.168 52.037 0.167 0.000 0.624 193 A CB -0.782 18.355 19.000 0.228 0.000 0.822 193 A HN 0.279 nan 8.150 nan 0.000 0.444 194 V N 0.456 120.490 119.914 0.200 0.000 2.332 194 V HA -0.266 3.853 4.120 -0.002 0.000 0.248 194 V C 2.392 178.511 176.094 0.040 0.000 1.055 194 V CA 2.444 64.849 62.300 0.175 0.000 1.038 194 V CB -0.847 31.081 31.823 0.176 0.000 0.651 194 V HN 0.620 nan 8.190 nan 0.000 0.450 195 D N 0.185 120.585 120.400 0.000 0.000 2.104 195 D HA -0.155 4.483 4.640 -0.002 0.000 0.194 195 D C 2.171 178.303 176.300 -0.280 0.000 0.994 195 D CA 1.732 55.646 54.000 -0.143 0.000 0.830 195 D CB -0.193 40.601 40.800 -0.009 0.000 0.959 195 D HN 0.376 nan 8.370 nan 0.000 0.452 196 A N 0.213 122.984 122.820 -0.082 0.000 1.877 196 A HA -0.128 4.190 4.320 -0.002 0.000 0.216 196 A C 2.527 180.098 177.584 -0.022 0.000 1.186 196 A CA 1.291 53.323 52.037 -0.008 0.000 0.620 196 A CB -0.821 18.215 19.000 0.060 0.000 0.822 196 A HN 0.349 nan 8.150 nan 0.000 0.443 197 I N -0.107 120.441 120.570 -0.036 0.000 2.163 197 I HA -0.265 3.903 4.170 -0.002 0.000 0.243 197 I C 2.679 178.699 176.117 -0.160 0.000 1.085 197 I CA 1.616 62.860 61.300 -0.094 0.000 1.347 197 I CB -0.312 37.660 38.000 -0.046 0.000 1.044 197 I HN 0.229 nan 8.210 nan 0.000 0.408 198 S N -0.735 114.870 115.700 -0.159 0.000 2.382 198 S HA -0.203 4.266 4.470 -0.002 0.000 0.228 198 S C 1.817 176.454 174.600 0.062 0.000 1.027 198 S CA 1.167 59.238 58.200 -0.215 0.000 0.991 198 S CB -0.556 62.631 63.200 -0.022 0.000 0.823 198 S HN 0.537 nan 8.310 nan 0.000 0.469 199 H N 0.777 119.943 119.070 0.161 0.000 2.319 199 H HA -0.026 4.529 4.556 -0.002 0.000 0.299 199 H C 2.030 177.399 175.328 0.068 0.000 1.092 199 H CA 1.488 57.620 56.048 0.140 0.000 1.302 199 H CB -0.191 29.712 29.762 0.236 0.000 1.373 199 H HN 0.304 nan 8.280 nan 0.000 0.497 200 I N 0.639 121.296 120.570 0.146 0.000 2.179 200 I HA -0.271 3.898 4.170 -0.002 0.000 0.242 200 I C 2.087 178.199 176.117 -0.009 0.000 1.088 200 I CA 1.095 62.433 61.300 0.063 0.000 1.357 200 I CB -0.213 37.748 38.000 -0.066 0.000 1.051 200 I HN 0.233 nan 8.210 nan 0.000 0.409 201 L N 0.194 121.337 121.223 -0.134 0.000 2.201 201 L HA -0.161 4.178 4.340 -0.002 0.000 0.212 201 L C 2.576 179.487 176.870 0.067 0.000 1.105 201 L CA 0.932 55.689 54.840 -0.138 0.000 0.775 201 L CB -0.607 41.264 42.059 -0.313 0.000 0.913 201 L HN 0.273 nan 8.230 nan 0.000 0.440 202 E N -0.303 119.847 120.200 -0.082 0.000 2.110 202 E HA -0.205 4.143 4.350 -0.002 0.000 0.193 202 E C 2.057 178.328 176.600 -0.550 0.000 0.988 202 E CA 1.474 57.587 56.400 -0.477 0.000 0.804 202 E CB -0.133 28.766 29.700 -1.334 0.000 0.745 202 E HN 0.527 nan 8.360 nan 0.000 0.458 203 Y N -0.817 119.331 120.300 -0.253 0.000 2.269 203 Y HA -0.143 4.406 4.550 -0.003 0.000 0.294 203 Y C 2.241 178.096 175.900 -0.075 0.000 1.120 203 Y CA 0.808 58.827 58.100 -0.134 0.000 1.159 203 Y CB -0.720 37.695 38.460 -0.075 0.000 1.024 203 Y HN 0.083 nan 8.280 nan 0.000 0.532 204 Y N -0.788 119.446 120.300 -0.109 0.000 2.207 204 Y HA -0.260 4.289 4.550 -0.003 0.000 0.287 204 Y C 1.114 176.791 175.900 -0.371 0.000 1.156 204 Y CA 1.540 59.448 58.100 -0.321 0.000 1.182 204 Y CB -0.436 37.669 38.460 -0.592 0.000 0.979 204 Y HN 0.030 nan 8.280 nan 0.000 0.521 205 F N 0.243 120.237 119.950 0.073 0.000 2.639 205 F HA 0.133 4.658 4.527 -0.003 0.000 0.300 205 F C 1.431 177.287 175.800 0.093 0.000 1.109 205 F CA -0.170 57.855 58.000 0.041 0.000 1.335 205 F CB -0.404 38.720 39.000 0.207 0.000 1.014 205 F HN 0.167 nan 8.300 nan 0.000 0.537 206 D N -0.974 119.520 120.400 0.157 0.000 2.352 206 D HA 0.108 4.747 4.640 -0.002 0.000 0.232 206 D C 1.925 178.299 176.300 0.124 0.000 1.055 206 D CA 0.929 55.004 54.000 0.124 0.000 0.891 206 D CB -0.083 40.745 40.800 0.048 0.000 0.897 206 D HN 0.366 nan 8.370 nan 0.000 0.529 207 G N -0.106 108.764 108.800 0.117 0.000 2.254 207 G HA2 -0.273 3.686 3.960 -0.002 0.000 0.225 207 G HA3 -0.273 3.686 3.960 -0.002 0.000 0.225 207 G C 0.429 175.362 174.900 0.055 0.000 1.003 207 G CA 0.297 45.448 45.100 0.086 0.000 0.622 207 G HN 0.836 nan 8.290 nan 0.000 0.507 208 S N -0.664 115.066 115.700 0.050 0.000 2.603 208 S HA 0.689 5.158 4.470 -0.002 0.000 0.268 208 S C 0.417 175.008 174.600 -0.015 0.000 1.317 208 S CA 0.663 58.890 58.200 0.045 0.000 1.012 208 S CB 1.996 65.231 63.200 0.059 0.000 0.926 208 S HN 1.268 nan 8.310 nan 0.000 0.539 209 S N 1.882 117.601 115.700 0.032 0.000 2.612 209 S HA 0.385 4.854 4.470 -0.002 0.000 0.203 209 S C -2.994 171.698 174.600 0.152 0.000 0.965 209 S CA -1.027 57.208 58.200 0.058 0.000 1.157 209 S CB -0.158 63.132 63.200 0.149 0.000 1.526 209 S HN 0.616 nan 8.310 nan 0.000 0.423 210 P HA 0.252 nan 4.420 nan 0.000 0.271 210 P C 0.738 178.035 177.300 -0.006 0.000 1.216 210 P CA -0.024 63.097 63.100 0.035 0.000 0.771 210 P CB 0.914 32.602 31.700 -0.019 0.000 0.864 211 E N 2.957 123.144 120.200 -0.023 0.000 2.058 211 E HA -0.207 4.142 4.350 -0.002 0.000 0.194 211 E C 1.523 178.092 176.600 -0.051 0.000 0.997 211 E CA 1.413 57.775 56.400 -0.064 0.000 0.801 211 E CB -0.832 28.822 29.700 -0.077 0.000 0.746 211 E HN 0.378 nan 8.360 nan 0.000 0.450 212 I N 0.125 120.667 120.570 -0.047 0.000 2.226 212 I HA -0.207 3.962 4.170 -0.002 0.000 0.245 212 I C 1.981 178.059 176.117 -0.064 0.000 1.100 212 I CA 1.545 62.812 61.300 -0.054 0.000 1.374 212 I CB -0.505 37.463 38.000 -0.053 0.000 1.057 212 I HN 0.053 nan 8.210 nan 0.000 0.413 213 S N 1.122 116.779 115.700 -0.072 0.000 2.383 213 S HA -0.132 4.336 4.470 -0.002 0.000 0.227 213 S C 1.800 176.381 174.600 -0.032 0.000 1.026 213 S CA 1.270 59.422 58.200 -0.079 0.000 0.981 213 S CB -0.647 62.495 63.200 -0.097 0.000 0.818 213 S HN 0.513 nan 8.310 nan 0.000 0.472 214 N N 1.484 120.174 118.700 -0.017 0.000 2.084 214 N HA -0.080 4.659 4.740 -0.002 0.000 0.190 214 N C 1.704 177.244 175.510 0.050 0.000 1.030 214 N CA 1.007 54.092 53.050 0.058 0.000 0.849 214 N CB -0.405 38.088 38.487 0.010 0.000 1.012 214 N HN 0.386 nan 8.380 nan 0.000 0.423 215 E N 0.892 121.083 120.200 -0.014 0.000 2.038 215 E HA -0.112 4.236 4.350 -0.002 0.000 0.195 215 E C 2.244 178.809 176.600 -0.057 0.000 1.000 215 E CA 0.650 57.026 56.400 -0.040 0.000 0.803 215 E CB -0.329 29.342 29.700 -0.048 0.000 0.750 215 E HN 0.420 nan 8.360 nan 0.000 0.448 216 I N 1.087 121.622 120.570 -0.059 0.000 2.179 216 I HA -0.262 3.907 4.170 -0.002 0.000 0.242 216 I C 2.573 178.638 176.117 -0.086 0.000 1.088 216 I CA 1.045 62.301 61.300 -0.074 0.000 1.357 216 I CB -0.389 37.561 38.000 -0.083 0.000 1.051 216 I HN 0.005 nan 8.210 nan 0.000 0.409 217 A N 0.617 123.396 122.820 -0.069 0.000 1.883 217 A HA -0.261 4.058 4.320 -0.002 0.000 0.217 217 A C 2.195 179.663 177.584 -0.194 0.000 1.186 217 A CA 2.022 54.000 52.037 -0.098 0.000 0.624 217 A CB -0.639 18.367 19.000 0.010 0.000 0.822 217 A HN 0.457 nan 8.150 nan 0.000 0.444 218 E N -0.819 119.273 120.200 -0.180 0.000 2.047 218 E HA -0.053 4.296 4.350 -0.002 0.000 0.191 218 E C 2.190 178.647 176.600 -0.238 0.000 0.987 218 E CA 0.785 57.027 56.400 -0.263 0.000 0.799 218 E CB -0.416 29.170 29.700 -0.190 0.000 0.752 218 E HN 0.592 nan 8.360 nan 0.000 0.449 219 G N 0.516 109.217 108.800 -0.165 0.000 2.446 219 G HA2 -0.289 3.670 3.960 -0.002 0.000 0.217 219 G HA3 -0.289 3.670 3.960 -0.002 0.000 0.217 219 G C 1.641 176.455 174.900 -0.142 0.000 1.168 219 G CA 1.453 46.469 45.100 -0.141 0.000 0.771 219 G HN 0.201 nan 8.290 nan 0.000 0.551 220 T N 1.334 115.806 114.554 -0.137 0.000 2.708 220 T HA -0.047 4.302 4.350 -0.002 0.000 0.266 220 T C 2.399 177.001 174.700 -0.164 0.000 1.037 220 T CA 1.022 63.047 62.100 -0.125 0.000 1.146 220 T CB -0.167 68.631 68.868 -0.116 0.000 0.865 220 T HN 0.243 nan 8.240 nan 0.000 0.435 221 I N 0.833 121.262 120.570 -0.234 0.000 2.163 221 I HA -0.231 3.937 4.170 -0.002 0.000 0.243 221 I C 2.823 178.738 176.117 -0.337 0.000 1.085 221 I CA 1.462 62.578 61.300 -0.307 0.000 1.347 221 I CB -0.326 37.422 38.000 -0.419 0.000 1.044 221 I HN 0.137 nan 8.210 nan 0.000 0.408 222 R N -0.110 120.189 120.500 -0.335 0.000 2.096 222 R HA -0.138 4.201 4.340 -0.002 0.000 0.235 222 R C 2.313 178.487 176.300 -0.209 0.000 1.127 222 R CA 1.966 57.874 56.100 -0.319 0.000 0.968 222 R CB -0.695 29.433 30.300 -0.286 0.000 0.861 222 R HN 0.378 nan 8.270 nan 0.000 0.440 223 T N 1.386 115.851 114.554 -0.147 0.000 2.737 223 T HA -0.073 4.275 4.350 -0.002 0.000 0.265 223 T C 1.934 176.604 174.700 -0.050 0.000 1.038 223 T CA 1.148 63.202 62.100 -0.077 0.000 1.144 223 T CB -0.141 68.698 68.868 -0.047 0.000 0.866 223 T HN 0.140 nan 8.240 nan 0.000 0.434 224 I N 0.795 121.324 120.570 -0.068 0.000 2.208 224 I HA -0.214 3.954 4.170 -0.002 0.000 0.245 224 I C 2.547 178.673 176.117 0.015 0.000 1.097 224 I CA 1.430 62.721 61.300 -0.015 0.000 1.363 224 I CB -0.394 37.588 38.000 -0.031 0.000 1.051 224 I HN 0.250 nan 8.210 nan 0.000 0.413 225 M N 0.123 119.645 119.600 -0.130 0.000 2.117 225 M HA -0.229 4.249 4.480 -0.002 0.000 0.262 225 M C 2.311 178.706 176.300 0.159 0.000 1.065 225 M CA 1.875 57.111 55.300 -0.107 0.000 1.114 225 M CB -0.409 31.819 32.600 -0.620 0.000 1.361 225 M HN 0.085 nan 8.290 nan 0.000 0.408 226 K N -0.213 120.210 120.400 0.038 0.000 2.026 226 K HA -0.118 4.201 4.320 -0.002 0.000 0.208 226 K C 1.961 178.619 176.600 0.097 0.000 1.048 226 K CA 1.209 57.537 56.287 0.069 0.000 0.929 226 K CB -0.119 32.387 32.500 0.010 0.000 0.713 226 K HN 0.262 nan 8.250 nan 0.000 0.439 227 M N 0.475 120.125 119.600 0.084 0.000 2.175 227 M HA -0.091 4.387 4.480 -0.002 0.000 0.264 227 M C 2.120 178.485 176.300 0.109 0.000 1.063 227 M CA 1.594 56.944 55.300 0.083 0.000 1.119 227 M CB -1.219 31.424 32.600 0.071 0.000 1.377 227 M HN 0.100 nan 8.290 nan 0.000 0.415 228 T N 0.685 115.342 114.554 0.171 0.000 2.708 228 T HA -0.156 4.193 4.350 -0.002 0.000 0.266 228 T C 1.776 176.548 174.700 0.119 0.000 1.037 228 T CA 1.529 63.736 62.100 0.180 0.000 1.146 228 T CB -0.180 68.892 68.868 0.340 0.000 0.865 228 T HN 0.474 nan 8.240 nan 0.000 0.435 229 E N 0.784 121.083 120.200 0.165 0.000 2.077 229 E HA -0.127 4.222 4.350 -0.002 0.000 0.193 229 E C 2.569 179.201 176.600 0.053 0.000 0.989 229 E CA 0.887 57.345 56.400 0.097 0.000 0.800 229 E CB -0.132 29.658 29.700 0.151 0.000 0.746 229 E HN 0.397 nan 8.360 nan 0.000 0.452 230 R N 0.432 120.968 120.500 0.059 0.000 2.091 230 R HA -0.116 4.223 4.340 -0.002 0.000 0.238 230 R C 2.427 178.736 176.300 0.015 0.000 1.136 230 R CA 1.059 57.179 56.100 0.033 0.000 0.959 230 R CB -0.282 30.040 30.300 0.035 0.000 0.856 230 R HN 0.172 nan 8.270 nan 0.000 0.437 231 L N 0.201 121.438 121.223 0.025 0.000 2.217 231 L HA -0.105 4.234 4.340 -0.002 0.000 0.211 231 L C 2.242 179.107 176.870 -0.009 0.000 1.107 231 L CA 0.840 55.687 54.840 0.011 0.000 0.783 231 L CB -0.230 41.850 42.059 0.034 0.000 0.919 231 L HN 0.194 nan 8.230 nan 0.000 0.442 232 I N -0.395 120.167 120.570 -0.014 0.000 2.286 232 I HA -0.243 3.926 4.170 -0.002 0.000 0.248 232 I C 2.443 178.540 176.117 -0.033 0.000 1.115 232 I CA 1.095 62.373 61.300 -0.036 0.000 1.392 232 I CB -0.130 37.837 38.000 -0.054 0.000 1.065 232 I HN 0.289 nan 8.210 nan 0.000 0.418 233 E N 0.467 120.652 120.200 -0.024 0.000 2.122 233 E HA -0.044 4.305 4.350 -0.002 0.000 0.190 233 E C 0.903 177.483 176.600 -0.033 0.000 0.977 233 E CA 0.720 57.105 56.400 -0.025 0.000 0.820 233 E CB 0.126 29.817 29.700 -0.015 0.000 0.770 233 E HN 0.288 nan 8.360 nan 0.000 0.462 234 K N 0.915 121.292 120.400 -0.038 0.000 2.756 234 K HA 0.161 4.479 4.320 -0.002 0.000 0.218 234 K C -2.294 174.255 176.600 -0.084 0.000 1.057 234 K CA -1.367 54.883 56.287 -0.063 0.000 1.056 234 K CB 1.591 34.055 32.500 -0.059 0.000 1.235 234 K HN -0.243 nan 8.250 nan 0.000 0.547 235 P HA -0.108 nan 4.420 nan 0.000 0.230 235 P C 0.042 177.223 177.300 -0.199 0.000 1.158 235 P CA 0.902 63.959 63.100 -0.072 0.000 0.769 235 P CB 0.187 31.871 31.700 -0.027 0.000 0.807 236 D N -1.205 118.938 120.400 -0.428 0.000 2.427 236 D HA 0.001 4.639 4.640 -0.002 0.000 0.224 236 D C -0.053 175.749 176.300 -0.831 0.000 1.157 236 D CA -0.401 52.904 54.000 -1.158 0.000 0.828 236 D CB -0.855 39.385 40.800 -0.934 0.000 0.974 236 D HN -0.031 nan 8.370 nan 0.000 0.498 237 D N 0.630 120.830 120.400 -0.334 0.000 2.359 237 D HA -0.083 4.555 4.640 -0.002 0.000 0.250 237 D C 0.614 176.953 176.300 0.064 0.000 1.264 237 D CA -0.479 53.462 54.000 -0.098 0.000 0.911 237 D CB 0.132 40.907 40.800 -0.041 0.000 1.056 237 D HN 0.099 nan 8.370 nan 0.000 0.499 238 Y N 4.410 124.761 120.300 0.084 0.000 2.145 238 Y HA -0.191 4.358 4.550 -0.002 0.000 0.286 238 Y C 1.696 177.715 175.900 0.198 0.000 1.145 238 Y CA 1.568 59.841 58.100 0.288 0.000 1.148 238 Y CB 0.338 38.973 38.460 0.291 0.000 0.981 238 Y HN 0.382 nan 8.280 nan 0.000 0.507 239 E N 0.313 120.601 120.200 0.146 0.000 2.153 239 E HA -0.171 4.178 4.350 -0.002 0.000 0.194 239 E C 2.381 178.978 176.600 -0.004 0.000 0.988 239 E CA 1.047 57.481 56.400 0.057 0.000 0.811 239 E CB -0.779 28.993 29.700 0.121 0.000 0.746 239 E HN 0.585 nan 8.360 nan 0.000 0.466 240 A N 1.847 124.680 122.820 0.021 0.000 1.898 240 A HA -0.160 4.158 4.320 -0.002 0.000 0.216 240 A C 2.157 179.755 177.584 0.024 0.000 1.181 240 A CA 1.110 53.165 52.037 0.030 0.000 0.620 240 A CB -0.229 18.794 19.000 0.039 0.000 0.819 240 A HN 0.013 nan 8.150 nan 0.000 0.442 241 R N -0.268 120.233 120.500 0.002 0.000 2.073 241 R HA -0.082 4.257 4.340 -0.002 0.000 0.234 241 R C 2.454 178.726 176.300 -0.046 0.000 1.134 241 R CA 1.490 57.592 56.100 0.003 0.000 0.952 241 R CB -1.232 29.102 30.300 0.056 0.000 0.850 241 R HN 0.527 nan 8.270 nan 0.000 0.433 242 A N 1.777 124.476 122.820 -0.201 0.000 1.877 242 A HA -0.164 4.155 4.320 -0.002 0.000 0.216 242 A C 1.999 179.719 177.584 0.227 0.000 1.186 242 A CA 1.464 53.506 52.037 0.008 0.000 0.620 242 A CB -0.514 18.392 19.000 -0.157 0.000 0.822 242 A HN 0.323 nan 8.150 nan 0.000 0.443 243 N N -0.172 118.595 118.700 0.111 0.000 2.120 243 N HA -0.110 4.629 4.740 -0.002 0.000 0.188 243 N C 1.808 177.410 175.510 0.153 0.000 1.024 243 N CA 1.365 54.492 53.050 0.129 0.000 0.852 243 N CB -0.298 38.232 38.487 0.073 0.000 1.003 243 N HN 0.500 nan 8.380 nan 0.000 0.424 244 L N 1.107 122.403 121.223 0.122 0.000 2.046 244 L HA -0.133 4.205 4.340 -0.002 0.000 0.208 244 L C 2.367 179.330 176.870 0.155 0.000 1.077 244 L CA 0.985 55.895 54.840 0.116 0.000 0.747 244 L CB -0.361 41.758 42.059 0.100 0.000 0.896 244 L HN 0.084 nan 8.230 nan 0.000 0.432 245 A N -0.340 122.606 122.820 0.208 0.000 1.865 245 A HA -0.309 4.009 4.320 -0.002 0.000 0.217 245 A C 2.178 179.985 177.584 0.373 0.000 1.191 245 A CA 1.834 54.038 52.037 0.278 0.000 0.623 245 A CB -1.292 17.881 19.000 0.289 0.000 0.826 245 A HN 0.763 nan 8.150 nan 0.000 0.444 246 W N 1.017 122.439 121.300 0.204 0.000 2.388 246 W HA -0.133 4.526 4.660 -0.003 0.000 0.294 246 W C 2.098 178.645 176.519 0.047 0.000 1.212 246 W CA 1.512 58.905 57.345 0.080 0.000 1.271 246 W CB -0.120 29.273 29.460 -0.113 0.000 1.126 246 W HN 0.405 nan 8.180 nan 0.000 0.535 247 S N 0.963 116.682 115.700 0.033 0.000 2.370 247 S HA -0.193 4.276 4.470 -0.002 0.000 0.226 247 S C 2.045 176.591 174.600 -0.092 0.000 1.033 247 S CA 1.624 59.776 58.200 -0.080 0.000 1.011 247 S CB -0.772 62.427 63.200 -0.001 0.000 0.852 247 S HN 0.358 nan 8.310 nan 0.000 0.457 248 A N 1.197 124.016 122.820 -0.002 0.000 1.972 248 A HA -0.119 4.200 4.320 -0.002 0.000 0.219 248 A C 2.302 179.877 177.584 -0.015 0.000 1.169 248 A CA 2.018 54.080 52.037 0.041 0.000 0.635 248 A CB -1.163 17.899 19.000 0.102 0.000 0.810 248 A HN 0.489 nan 8.150 nan 0.000 0.446 249 T N 0.690 115.163 114.554 -0.135 0.000 2.770 249 T HA -0.085 4.263 4.350 -0.002 0.000 0.263 249 T C 1.856 176.334 174.700 -0.370 0.000 1.039 249 T CA 1.525 63.482 62.100 -0.238 0.000 1.142 249 T CB -0.522 68.141 68.868 -0.340 0.000 0.868 249 T HN 0.718 nan 8.240 nan 0.000 0.435 250 I N 0.317 120.533 120.570 -0.590 0.000 2.676 250 I HA 0.138 4.306 4.170 -0.002 0.000 0.259 250 I C 2.634 178.628 176.117 -0.204 0.000 1.194 250 I CA 0.878 61.906 61.300 -0.454 0.000 1.473 250 I CB -0.610 37.060 38.000 -0.549 0.000 1.096 250 I HN 0.094 nan 8.210 nan 0.000 0.443 251 A N 1.394 124.142 122.820 -0.120 0.000 1.948 251 A HA -0.118 4.200 4.320 -0.002 0.000 0.220 251 A C 1.930 179.554 177.584 0.067 0.000 1.177 251 A CA 1.813 53.861 52.037 0.017 0.000 0.636 251 A CB -0.495 18.578 19.000 0.121 0.000 0.815 251 A HN 0.506 nan 8.150 nan 0.000 0.449 252 L N -0.202 121.030 121.223 0.016 0.000 3.366 252 L HA 0.238 4.576 4.340 -0.002 0.000 0.304 252 L C 0.703 177.538 176.870 -0.057 0.000 1.292 252 L CA 0.416 55.254 54.840 -0.003 0.000 1.012 252 L CB 0.350 42.340 42.059 -0.115 0.000 1.414 252 L HN 0.519 nan 8.230 nan 0.000 0.603 253 N N -0.658 118.003 118.700 -0.065 0.000 2.336 253 N HA 0.202 4.940 4.740 -0.002 0.000 0.189 253 N C 1.176 176.695 175.510 0.014 0.000 1.113 253 N CA 0.810 53.838 53.050 -0.037 0.000 0.858 253 N CB 0.626 39.087 38.487 -0.045 0.000 0.970 253 N HN 0.254 nan 8.380 nan 0.000 0.471 254 G N -0.842 107.957 108.800 -0.001 0.000 2.278 254 G HA2 -0.285 3.674 3.960 -0.002 0.000 0.210 254 G HA3 -0.285 3.674 3.960 -0.002 0.000 0.210 254 G C 1.066 176.025 174.900 0.099 0.000 1.000 254 G CA 0.336 45.454 45.100 0.031 0.000 0.635 254 G HN 0.306 nan 8.290 nan 0.000 0.495 255 T N 1.690 116.294 114.554 0.083 0.000 2.653 255 T HA -0.151 4.197 4.350 -0.002 0.000 0.268 255 T C 2.414 176.988 174.700 -0.210 0.000 1.035 255 T CA 1.944 64.001 62.100 -0.072 0.000 1.154 255 T CB -0.240 68.566 68.868 -0.103 0.000 0.862 255 T HN 0.296 nan 8.240 nan 0.000 0.441 256 M N 0.265 119.693 119.600 -0.287 0.000 2.558 256 M HA 0.305 4.783 4.480 -0.002 0.000 0.255 256 M C 2.541 178.469 176.300 -0.620 0.000 1.113 256 M CA 0.339 55.423 55.300 -0.360 0.000 1.097 256 M CB -1.075 31.372 32.600 -0.254 0.000 1.426 256 M HN 0.271 nan 8.290 nan 0.000 0.488 257 A N 0.250 122.604 122.820 -0.776 0.000 1.975 257 A HA 0.090 4.408 4.320 -0.002 0.000 0.215 257 A C 1.218 178.605 177.584 -0.328 0.000 1.170 257 A CA 0.097 51.706 52.037 -0.713 0.000 0.656 257 A CB -0.404 18.312 19.000 -0.473 0.000 0.821 257 A HN 0.193 nan 8.150 nan 0.000 0.449 258 V N 0.881 120.556 119.914 -0.398 0.000 2.621 258 V HA 0.254 4.373 4.120 -0.002 0.000 0.300 258 V C 1.647 177.450 176.094 -0.485 0.000 1.031 258 V CA 1.600 63.480 62.300 -0.699 0.000 1.210 258 V CB -0.542 30.793 31.823 -0.813 0.000 0.864 258 V HN 1.209 nan 8.190 nan 0.000 0.477 259 G N 4.350 112.948 108.800 -0.336 0.000 2.179 259 G HA2 -0.238 3.721 3.960 -0.002 0.000 0.260 259 G HA3 -0.238 3.721 3.960 -0.002 0.000 0.260 259 G C 0.435 175.329 174.900 -0.011 0.000 0.977 259 G CA 0.474 45.535 45.100 -0.064 0.000 0.641 259 G HN 0.628 nan 8.290 nan 0.000 0.533 260 R N -1.159 119.344 120.500 0.005 0.000 2.917 260 R HA 0.707 5.046 4.340 -0.002 0.000 0.220 260 R C 1.029 177.412 176.300 0.138 0.000 1.485 260 R CA -0.787 55.359 56.100 0.077 0.000 1.037 260 R CB 0.468 30.831 30.300 0.105 0.000 1.929 260 R HN 0.112 nan 8.270 nan 0.000 0.526 261 R N -0.351 120.249 120.500 0.168 0.000 2.509 261 R HA 0.202 4.540 4.340 -0.002 0.000 0.300 261 R C 0.333 176.745 176.300 0.187 0.000 0.985 261 R CA 0.532 56.729 56.100 0.162 0.000 1.092 261 R CB 1.232 31.614 30.300 0.135 0.000 1.237 261 R HN 0.997 nan 8.270 nan 0.000 0.546 262 G N 0.255 109.216 108.800 0.267 0.000 2.179 262 G HA2 -0.174 3.784 3.960 -0.002 0.000 0.220 262 G HA3 -0.174 3.784 3.960 -0.002 0.000 0.220 262 G C 0.434 175.539 174.900 0.342 0.000 0.990 262 G CA -0.308 44.989 45.100 0.329 0.000 0.646 262 G HN 0.723 nan 8.290 nan 0.000 0.517 263 G N -0.792 108.076 108.800 0.114 0.000 2.758 263 G HA2 0.216 4.174 3.960 -0.002 0.000 0.686 263 G HA3 0.216 4.174 3.960 -0.002 0.000 0.686 263 G C 0.115 174.800 174.900 -0.358 0.000 1.389 263 G CA 0.752 45.586 45.100 -0.443 0.000 0.845 263 G HN 1.274 nan 8.290 nan 0.000 0.572 264 E N -0.694 119.136 120.200 -0.618 0.000 2.035 264 E HA 0.224 4.573 4.350 -0.002 0.000 0.191 264 E C 1.536 178.000 176.600 -0.226 0.000 0.966 264 E CA 1.889 58.114 56.400 -0.292 0.000 0.823 264 E CB -0.152 29.420 29.700 -0.212 0.000 0.791 264 E HN 1.101 nan 8.360 nan 0.000 0.459 265 W N -2.387 118.784 121.300 -0.214 0.000 1.619 265 W HA -0.313 4.346 4.660 -0.002 0.000 0.250 265 W C 1.320 177.726 176.519 -0.190 0.000 1.014 265 W CA 0.153 57.384 57.345 -0.190 0.000 0.427 265 W CB -1.840 27.515 29.460 -0.176 0.000 2.027 265 W HN 0.273 nan 8.180 nan 0.000 1.216 266 A N -0.505 122.220 122.820 -0.159 0.000 1.877 266 A HA -0.185 4.134 4.320 -0.002 0.000 0.216 266 A C 1.749 179.158 177.584 -0.293 0.000 1.186 266 A CA 1.978 53.902 52.037 -0.189 0.000 0.620 266 A CB -1.152 17.744 19.000 -0.173 0.000 0.822 266 A HN 0.514 nan 8.150 nan 0.000 0.443 267 C N -1.511 117.423 119.300 -0.610 0.000 2.413 267 C HA -0.114 4.344 4.460 -0.002 0.000 0.276 267 C C 2.601 177.488 174.990 -0.172 0.000 1.236 267 C CA 1.297 60.009 59.018 -0.511 0.000 1.735 267 C CB -1.708 25.462 27.740 -0.950 0.000 2.031 267 C HN 0.746 nan 8.230 nan 0.000 0.474 268 H N 0.273 119.301 119.070 -0.071 0.000 2.352 268 H HA -0.096 4.459 4.556 -0.002 0.000 0.299 268 H C 2.467 177.676 175.328 -0.197 0.000 1.097 268 H CA 1.731 57.816 56.048 0.062 0.000 1.311 268 H CB -0.106 29.829 29.762 0.288 0.000 1.377 268 H HN 0.421 nan 8.280 nan 0.000 0.504 269 R N -0.299 120.156 120.500 -0.075 0.000 2.073 269 R HA -0.006 4.332 4.340 -0.002 0.000 0.229 269 R C 2.315 178.605 176.300 -0.016 0.000 1.120 269 R CA 1.183 57.197 56.100 -0.144 0.000 0.967 269 R CB -0.123 30.153 30.300 -0.041 0.000 0.862 269 R HN 0.287 nan 8.270 nan 0.000 0.436 270 I N 0.855 121.417 120.570 -0.013 0.000 2.163 270 I HA -0.292 3.876 4.170 -0.002 0.000 0.243 270 I C 2.650 178.805 176.117 0.064 0.000 1.085 270 I CA 1.225 62.537 61.300 0.021 0.000 1.347 270 I CB -0.342 37.647 38.000 -0.018 0.000 1.044 270 I HN 0.220 nan 8.210 nan 0.000 0.408 271 E N 0.886 121.115 120.200 0.049 0.000 2.118 271 E HA -0.253 4.096 4.350 -0.002 0.000 0.195 271 E C 2.043 178.796 176.600 0.255 0.000 0.992 271 E CA 1.648 58.116 56.400 0.113 0.000 0.804 271 E CB -0.285 29.454 29.700 0.067 0.000 0.741 271 E HN 0.616 nan 8.360 nan 0.000 0.458 272 H N -0.604 118.563 119.070 0.161 0.000 2.353 272 H HA -0.087 4.467 4.556 -0.003 0.000 0.298 272 H C 2.353 177.748 175.328 0.112 0.000 1.103 272 H CA 1.244 57.383 56.048 0.151 0.000 1.293 272 H CB 0.221 30.091 29.762 0.181 0.000 1.372 272 H HN 0.119 nan 8.280 nan 0.000 0.501 273 S N 0.505 116.348 115.700 0.239 0.000 2.383 273 S HA -0.091 4.378 4.470 -0.002 0.000 0.227 273 S C 2.260 176.935 174.600 0.126 0.000 1.026 273 S CA 0.619 58.907 58.200 0.148 0.000 0.981 273 S CB -0.101 63.177 63.200 0.130 0.000 0.818 273 S HN 0.266 nan 8.310 nan 0.000 0.472 274 L N 0.917 122.244 121.223 0.172 0.000 2.046 274 L HA -0.088 4.250 4.340 -0.002 0.000 0.208 274 L C 2.521 179.519 176.870 0.213 0.000 1.077 274 L CA 1.033 56.020 54.840 0.244 0.000 0.747 274 L CB -0.696 41.472 42.059 0.181 0.000 0.896 274 L HN 0.250 nan 8.230 nan 0.000 0.432 275 S N -0.145 115.645 115.700 0.150 0.000 2.387 275 S HA -0.075 4.394 4.470 -0.002 0.000 0.226 275 S C 2.203 176.821 174.600 0.029 0.000 1.026 275 S CA 1.034 59.293 58.200 0.098 0.000 0.972 275 S CB -0.169 63.089 63.200 0.097 0.000 0.814 275 S HN 0.471 nan 8.310 nan 0.000 0.477 276 A N 1.294 124.117 122.820 0.005 0.000 1.902 276 A HA 0.025 4.344 4.320 -0.002 0.000 0.217 276 A C 2.029 179.536 177.584 -0.128 0.000 1.181 276 A CA 1.114 53.109 52.037 -0.069 0.000 0.623 276 A CB -0.532 18.429 19.000 -0.064 0.000 0.818 276 A HN 0.463 nan 8.150 nan 0.000 0.443 277 L N -3.020 118.092 121.223 -0.185 0.000 2.249 277 L HA 0.002 4.340 4.340 -0.002 0.000 0.207 277 L C 1.633 178.131 176.870 -0.620 0.000 1.090 277 L CA 0.907 55.467 54.840 -0.467 0.000 0.802 277 L CB -0.112 41.520 42.059 -0.712 0.000 0.947 277 L HN 0.522 nan 8.230 nan 0.000 0.453 278 Y N -2.305 117.990 120.300 -0.009 0.000 2.527 278 Y HA 0.139 4.689 4.550 -0.001 0.000 0.247 278 Y C 0.439 176.332 175.900 -0.011 0.000 1.138 278 Y CA -0.757 57.337 58.100 -0.009 0.000 1.228 278 Y CB 0.289 38.746 38.460 -0.005 0.000 1.252 278 Y HN 0.035 nan 8.280 nan 0.000 0.531 279 D N 1.330 121.783 120.400 0.089 0.000 2.911 279 D HA -0.204 4.434 4.640 -0.002 0.000 0.227 279 D C -0.036 176.304 176.300 0.066 0.000 1.164 279 D CA 0.783 54.814 54.000 0.052 0.000 0.782 279 D CB -1.248 39.568 40.800 0.027 0.000 1.094 279 D HN 0.564 nan 8.370 nan 0.000 0.425 280 I N -3.168 117.452 120.570 0.083 0.000 3.004 280 I HA 0.517 4.685 4.170 -0.002 0.000 0.287 280 I C 0.962 177.078 176.117 -0.001 0.000 1.144 280 I CA -0.612 60.705 61.300 0.027 0.000 1.353 280 I CB 0.834 38.831 38.000 -0.004 0.000 1.417 280 I HN 0.084 nan 8.210 nan 0.000 0.602 281 A N 2.257 125.026 122.820 -0.085 0.000 2.511 281 A HA 0.015 4.333 4.320 -0.002 0.000 0.242 281 A C 1.073 178.594 177.584 -0.106 0.000 1.069 281 A CA 0.165 52.135 52.037 -0.113 0.000 0.763 281 A CB -0.272 18.541 19.000 -0.313 0.000 1.001 281 A HN 0.995 nan 8.150 nan 0.000 0.498 282 H N 2.703 121.733 119.070 -0.068 0.000 2.289 282 H HA -0.164 4.391 4.556 -0.002 0.000 0.296 282 H C 2.057 177.335 175.328 -0.082 0.000 1.091 282 H CA 2.917 58.952 56.048 -0.023 0.000 1.274 282 H CB -0.356 29.445 29.762 0.065 0.000 1.364 282 H HN 0.677 nan 8.280 nan 0.000 0.490 283 G N -0.575 108.113 108.800 -0.187 0.000 2.448 283 G HA2 -0.173 3.786 3.960 -0.002 0.000 0.219 283 G HA3 -0.173 3.786 3.960 -0.002 0.000 0.219 283 G C 1.862 176.585 174.900 -0.296 0.000 1.127 283 G CA 0.828 45.801 45.100 -0.211 0.000 0.766 283 G HN 0.651 nan 8.290 nan 0.000 0.552 284 A N 0.877 123.330 122.820 -0.612 0.000 1.897 284 A HA 0.240 4.559 4.320 -0.002 0.000 0.215 284 A C 2.690 180.123 177.584 -0.253 0.000 1.181 284 A CA 1.853 53.536 52.037 -0.590 0.000 0.620 284 A CB -0.946 17.526 19.000 -0.880 0.000 0.821 284 A HN 0.449 nan 8.150 nan 0.000 0.443 285 G N -0.071 108.603 108.800 -0.209 0.000 2.422 285 G HA2 -0.162 3.796 3.960 -0.002 0.000 0.218 285 G HA3 -0.162 3.796 3.960 -0.002 0.000 0.218 285 G C 1.534 176.381 174.900 -0.088 0.000 1.146 285 G CA 1.062 46.101 45.100 -0.102 0.000 0.769 285 G HN 0.425 nan 8.290 nan 0.000 0.547 286 L N 0.610 121.742 121.223 -0.151 0.000 2.093 286 L HA 0.003 4.342 4.340 -0.002 0.000 0.208 286 L C 3.359 180.274 176.870 0.075 0.000 1.085 286 L CA 0.842 55.647 54.840 -0.058 0.000 0.755 286 L CB -0.317 41.645 42.059 -0.163 0.000 0.904 286 L HN 0.292 nan 8.230 nan 0.000 0.435 287 A N 0.199 123.028 122.820 0.015 0.000 1.972 287 A HA -0.160 4.158 4.320 -0.002 0.000 0.219 287 A C 2.194 179.801 177.584 0.038 0.000 1.169 287 A CA 1.462 53.518 52.037 0.032 0.000 0.635 287 A CB -0.549 18.457 19.000 0.010 0.000 0.810 287 A HN 0.365 nan 8.150 nan 0.000 0.446 288 I N -0.951 119.631 120.570 0.021 0.000 2.193 288 I HA -0.155 4.014 4.170 -0.002 0.000 0.240 288 I C 2.313 178.468 176.117 0.063 0.000 1.084 288 I CA 1.003 62.317 61.300 0.024 0.000 1.365 288 I CB -0.277 37.717 38.000 -0.009 0.000 1.064 288 I HN 0.137 nan 8.210 nan 0.000 0.410 289 V N 0.173 120.125 119.914 0.063 0.000 2.379 289 V HA -0.238 3.880 4.120 -0.002 0.000 0.245 289 V C 2.265 178.443 176.094 0.140 0.000 1.044 289 V CA 1.630 63.967 62.300 0.062 0.000 1.036 289 V CB -0.627 31.189 31.823 -0.012 0.000 0.664 289 V HN 0.224 nan 8.190 nan 0.000 0.453 290 F N 0.982 121.007 119.950 0.125 0.000 2.065 290 F HA -0.109 4.416 4.527 -0.003 0.000 0.298 290 F C 0.043 176.064 175.800 0.368 0.000 1.112 290 F CA 2.354 60.507 58.000 0.256 0.000 1.212 290 F CB -1.597 37.587 39.000 0.307 0.000 0.975 290 F HN 0.259 nan 8.300 nan 0.000 0.476 291 P HA -0.161 nan 4.420 nan 0.000 0.218 291 P C 1.268 178.733 177.300 0.275 0.000 1.148 291 P CA 2.114 65.447 63.100 0.388 0.000 0.822 291 P CB -0.254 31.579 31.700 0.222 0.000 0.784 292 A N -1.549 121.404 122.820 0.221 0.000 1.872 292 A HA -0.150 4.169 4.320 -0.002 0.000 0.214 292 A C 2.184 179.875 177.584 0.179 0.000 1.187 292 A CA 1.089 53.219 52.037 0.155 0.000 0.614 292 A CB -1.914 17.146 19.000 0.100 0.000 0.826 292 A HN 0.226 nan 8.150 nan 0.000 0.442 293 W N 0.623 121.921 121.300 -0.003 0.000 2.318 293 W HA -0.260 4.398 4.660 -0.003 0.000 0.313 293 W C 2.155 178.691 176.519 0.029 0.000 1.221 293 W CA 2.468 59.792 57.345 -0.035 0.000 1.266 293 W CB -0.286 29.056 29.460 -0.197 0.000 1.150 293 W HN 0.302 nan 8.180 nan 0.000 0.496 294 M N 0.196 119.887 119.600 0.151 0.000 2.080 294 M HA -0.264 4.215 4.480 -0.002 0.000 0.260 294 M C 2.333 178.507 176.300 -0.211 0.000 1.068 294 M CA 2.377 57.638 55.300 -0.065 0.000 1.109 294 M CB -0.885 31.902 32.600 0.312 0.000 1.342 294 M HN -0.172 nan 8.290 nan 0.000 0.405 295 K N -0.643 119.756 120.400 -0.002 0.000 2.147 295 K HA -0.182 4.137 4.320 -0.002 0.000 0.205 295 K C 1.738 178.348 176.600 0.017 0.000 1.049 295 K CA 1.255 57.584 56.287 0.070 0.000 0.936 295 K CB -0.705 31.848 32.500 0.089 0.000 0.722 295 K HN 0.552 nan 8.250 nan 0.000 0.446 296 Y N 0.229 120.392 120.300 -0.229 0.000 2.314 296 Y HA -0.033 4.515 4.550 -0.003 0.000 0.293 296 Y C 1.876 177.490 175.900 -0.477 0.000 1.129 296 Y CA 1.587 59.506 58.100 -0.302 0.000 1.201 296 Y CB 0.311 38.626 38.460 -0.242 0.000 0.999 296 Y HN 0.097 nan 8.280 nan 0.000 0.541 297 V N -2.138 117.409 119.914 -0.611 0.000 3.643 297 V HA 0.027 4.145 4.120 -0.002 0.000 0.280 297 V C 1.705 177.351 176.094 -0.746 0.000 1.351 297 V CA 0.510 62.375 62.300 -0.724 0.000 1.073 297 V CB -1.508 29.752 31.823 -0.938 0.000 0.863 297 V HN 0.455 nan 8.190 nan 0.000 0.436 298 Y N 1.801 121.575 120.300 -0.878 0.000 2.333 298 Y HA 0.060 4.609 4.550 -0.001 0.000 0.290 298 Y C 2.336 177.926 175.900 -0.516 0.000 1.144 298 Y CA 1.335 58.767 58.100 -1.113 0.000 1.228 298 Y CB -0.851 36.783 38.460 -1.376 0.000 0.985 298 Y HN 0.123 nan 8.280 nan 0.000 0.542 299 R N 0.491 120.474 120.500 -0.861 0.000 2.237 299 R HA -0.071 4.267 4.340 -0.002 0.000 0.219 299 R C 1.850 177.987 176.300 -0.272 0.000 1.080 299 R CA 1.134 56.941 56.100 -0.488 0.000 0.995 299 R CB -0.170 29.792 30.300 -0.563 0.000 0.875 299 R HN 0.207 nan 8.270 nan 0.000 0.462 300 K N -0.009 120.231 120.400 -0.268 0.000 2.459 300 K HA 0.056 4.375 4.320 -0.002 0.000 0.193 300 K C 0.588 177.164 176.600 -0.040 0.000 1.030 300 K CA 0.397 56.597 56.287 -0.144 0.000 1.026 300 K CB -0.103 32.312 32.500 -0.141 0.000 0.809 300 K HN 0.195 nan 8.250 nan 0.000 0.504 301 N N -0.489 118.231 118.700 0.034 0.000 2.620 301 N HA 0.147 4.885 4.740 -0.002 0.000 0.277 301 N C -2.443 173.243 175.510 0.294 0.000 1.726 301 N CA -1.457 51.690 53.050 0.163 0.000 0.840 301 N CB 0.989 39.650 38.487 0.291 0.000 1.379 301 N HN 0.013 nan 8.380 nan 0.000 0.506 302 P HA -0.083 nan 4.420 nan 0.000 0.216 302 P C 1.180 178.622 177.300 0.236 0.000 1.153 302 P CA 1.008 64.238 63.100 0.218 0.000 0.848 302 P CB 0.287 32.048 31.700 0.101 0.000 0.787 303 A N -0.009 122.888 122.820 0.129 0.000 1.933 303 A HA -0.231 4.088 4.320 -0.002 0.000 0.218 303 A C 2.453 180.144 177.584 0.179 0.000 1.175 303 A CA 2.032 54.142 52.037 0.123 0.000 0.628 303 A CB -1.412 17.610 19.000 0.037 0.000 0.814 303 A HN 0.167 nan 8.150 nan 0.000 0.444 304 Q N -1.362 118.545 119.800 0.178 0.000 2.172 304 Q HA -0.007 4.331 4.340 -0.002 0.000 0.200 304 Q C 1.478 177.675 176.000 0.330 0.000 0.964 304 Q CA 1.403 57.286 55.803 0.134 0.000 0.855 304 Q CB -0.423 28.306 28.738 -0.014 0.000 0.918 304 Q HN 0.642 nan 8.270 nan 0.000 0.444 305 F N 0.568 120.768 119.950 0.417 0.000 2.234 305 F HA -0.099 4.426 4.527 -0.003 0.000 0.299 305 F C 1.978 178.003 175.800 0.374 0.000 1.087 305 F CA 1.296 59.549 58.000 0.422 0.000 1.340 305 F CB -0.020 39.079 39.000 0.165 0.000 1.031 305 F HN 0.180 nan 8.300 nan 0.000 0.500 306 E N -0.125 120.323 120.200 0.413 0.000 2.072 306 E HA -0.220 4.128 4.350 -0.002 0.000 0.191 306 E C 2.270 179.048 176.600 0.297 0.000 0.985 306 E CA 0.873 57.454 56.400 0.301 0.000 0.801 306 E CB -0.235 29.589 29.700 0.206 0.000 0.750 306 E HN 0.292 nan 8.360 nan 0.000 0.452 307 R N 0.252 120.922 120.500 0.285 0.000 2.115 307 R HA -0.155 4.183 4.340 -0.002 0.000 0.230 307 R C 2.168 178.649 176.300 0.301 0.000 1.111 307 R CA 0.930 57.175 56.100 0.242 0.000 0.976 307 R CB -0.244 30.172 30.300 0.194 0.000 0.870 307 R HN 0.155 nan 8.270 nan 0.000 0.445 308 F N 1.137 121.250 119.950 0.272 0.000 2.095 308 F HA -0.202 4.323 4.527 -0.004 0.000 0.298 308 F C 2.144 178.057 175.800 0.189 0.000 1.104 308 F CA 1.774 59.892 58.000 0.196 0.000 1.232 308 F CB -0.552 38.655 39.000 0.345 0.000 0.987 308 F HN 0.099 nan 8.300 nan 0.000 0.475 309 A N 0.198 123.235 122.820 0.361 0.000 1.902 309 A HA -0.214 4.105 4.320 -0.002 0.000 0.217 309 A C 2.252 179.938 177.584 0.171 0.000 1.181 309 A CA 2.014 54.269 52.037 0.362 0.000 0.623 309 A CB -0.670 18.618 19.000 0.480 0.000 0.818 309 A HN 0.496 nan 8.150 nan 0.000 0.443 310 K N -0.666 119.810 120.400 0.128 0.000 2.031 310 K HA -0.053 4.265 4.320 -0.002 0.000 0.205 310 K C 1.868 178.417 176.600 -0.085 0.000 1.049 310 K CA 1.239 57.555 56.287 0.047 0.000 0.939 310 K CB -0.084 32.462 32.500 0.076 0.000 0.717 310 K HN 0.192 nan 8.250 nan 0.000 0.438 311 K N 0.363 120.691 120.400 -0.119 0.000 2.211 311 K HA 0.074 4.392 4.320 -0.002 0.000 0.201 311 K C 1.985 178.358 176.600 -0.380 0.000 1.052 311 K CA 0.646 56.817 56.287 -0.193 0.000 0.973 311 K CB 0.184 32.617 32.500 -0.112 0.000 0.766 311 K HN 0.102 nan 8.250 nan 0.000 0.466 312 I N -0.502 119.703 120.570 -0.610 0.000 2.585 312 I HA -0.045 4.124 4.170 -0.002 0.000 0.254 312 I C 1.330 176.796 176.117 -1.085 0.000 1.129 312 I CA 1.101 61.810 61.300 -0.985 0.000 1.455 312 I CB -0.497 36.588 38.000 -1.526 0.000 1.111 312 I HN -0.077 nan 8.210 nan 0.000 0.433 313 F N 0.365 119.972 119.950 -0.571 0.000 2.706 313 F HA 0.409 4.938 4.527 0.002 0.000 0.313 313 F C 1.737 177.066 175.800 -0.786 0.000 1.096 313 F CA 0.283 57.859 58.000 -0.707 0.000 1.219 313 F CB -0.045 38.390 39.000 -0.942 0.000 1.051 313 F HN 0.178 nan 8.300 nan 0.000 0.568 314 G N 0.505 109.077 108.800 -0.380 0.000 2.153 314 G HA2 -0.317 3.642 3.960 -0.002 0.000 0.252 314 G HA3 -0.317 3.642 3.960 -0.002 0.000 0.252 314 G C 0.179 175.002 174.900 -0.128 0.000 0.994 314 G CA -0.246 44.715 45.100 -0.230 0.000 0.698 314 G HN 0.108 nan 8.290 nan 0.000 0.521 315 F N 0.661 120.649 119.950 0.063 0.000 2.450 315 F HA 0.611 5.138 4.527 -0.000 0.000 0.339 315 F C 0.913 176.738 175.800 0.043 0.000 1.146 315 F CA -0.723 57.310 58.000 0.054 0.000 1.267 315 F CB 0.621 39.660 39.000 0.065 0.000 1.178 315 F HN -0.040 nan 8.300 nan 0.000 0.585 316 E N 0.135 120.486 120.200 0.252 0.000 2.277 316 E HA 0.728 5.076 4.350 -0.002 0.000 0.266 316 E C 0.313 176.982 176.600 0.114 0.000 0.901 316 E CA -0.423 56.062 56.400 0.142 0.000 0.782 316 E CB 1.927 31.685 29.700 0.098 0.000 1.228 316 E HN 0.730 nan 8.360 nan 0.000 0.424 317 G N 0.045 108.897 108.800 0.087 0.000 2.291 317 G HA2 0.438 4.396 3.960 -0.002 0.000 0.249 317 G HA3 0.438 4.396 3.960 -0.002 0.000 0.249 317 G C -1.187 173.751 174.900 0.063 0.000 1.340 317 G CA 0.085 45.221 45.100 0.061 0.000 1.017 317 G HN 0.697 nan 8.290 nan 0.000 0.470 318 E N -1.806 118.424 120.200 0.050 0.000 2.390 318 E HA 0.918 5.267 4.350 -0.002 0.000 0.280 318 E C 0.992 177.617 176.600 0.042 0.000 0.992 318 E CA 0.922 57.355 56.400 0.054 0.000 0.790 318 E CB 0.883 30.610 29.700 0.045 0.000 1.248 318 E HN 2.812 nan 8.360 nan 0.000 0.447 319 G N 0.314 109.145 108.800 0.051 0.000 2.593 319 G HA2 -0.245 3.713 3.960 -0.002 0.000 0.237 319 G HA3 -0.245 3.713 3.960 -0.002 0.000 0.237 319 G C 1.009 175.922 174.900 0.021 0.000 1.312 319 G CA 1.008 46.132 45.100 0.040 0.000 0.896 319 G HN 1.355 nan 8.290 nan 0.000 0.574 320 E N -0.231 119.976 120.200 0.012 0.000 2.110 320 E HA -0.108 4.241 4.350 -0.002 0.000 0.193 320 E C 2.190 178.733 176.600 -0.096 0.000 0.988 320 E CA 1.606 57.988 56.400 -0.029 0.000 0.804 320 E CB -0.184 29.540 29.700 0.040 0.000 0.745 320 E HN 0.623 nan 8.360 nan 0.000 0.458 321 E N 0.130 120.296 120.200 -0.056 0.000 2.070 321 E HA -0.233 4.116 4.350 -0.002 0.000 0.197 321 E C 2.193 178.742 176.600 -0.085 0.000 1.004 321 E CA 1.334 57.691 56.400 -0.072 0.000 0.805 321 E CB -0.145 29.524 29.700 -0.051 0.000 0.744 321 E HN 0.248 nan 8.360 nan 0.000 0.451 322 L N 1.056 122.254 121.223 -0.041 0.000 2.056 322 L HA -0.140 4.199 4.340 -0.002 0.000 0.207 322 L C 2.061 178.953 176.870 0.036 0.000 1.078 322 L CA 1.438 56.277 54.840 -0.001 0.000 0.749 322 L CB -0.322 41.776 42.059 0.065 0.000 0.901 322 L HN 0.125 nan 8.230 nan 0.000 0.433 323 I N -0.774 119.797 120.570 0.002 0.000 2.163 323 I HA -0.352 3.816 4.170 -0.002 0.000 0.243 323 I C 2.358 178.406 176.117 -0.115 0.000 1.085 323 I CA 1.691 62.973 61.300 -0.030 0.000 1.347 323 I CB -0.375 37.480 38.000 -0.242 0.000 1.044 323 I HN 0.284 nan 8.210 nan 0.000 0.408 324 L N 0.011 121.102 121.223 -0.220 0.000 2.156 324 L HA -0.175 4.164 4.340 -0.002 0.000 0.208 324 L C 2.783 179.600 176.870 -0.089 0.000 1.095 324 L CA 0.812 55.536 54.840 -0.192 0.000 0.770 324 L CB -0.658 41.284 42.059 -0.195 0.000 0.914 324 L HN 0.077 nan 8.230 nan 0.000 0.439 325 K N 0.566 120.894 120.400 -0.121 0.000 2.032 325 K HA -0.135 4.183 4.320 -0.002 0.000 0.209 325 K C 2.050 178.618 176.600 -0.053 0.000 1.048 325 K CA 1.383 57.534 56.287 -0.225 0.000 0.927 325 K CB -1.099 31.111 32.500 -0.483 0.000 0.712 325 K HN 0.586 nan 8.250 nan 0.000 0.441 326 G N 0.414 109.329 108.800 0.192 0.000 2.418 326 G HA2 -0.159 3.799 3.960 -0.002 0.000 0.217 326 G HA3 -0.159 3.799 3.960 -0.002 0.000 0.217 326 G C 1.629 176.846 174.900 0.528 0.000 1.158 326 G CA 1.086 46.477 45.100 0.485 0.000 0.771 326 G HN 0.512 nan 8.290 nan 0.000 0.545 327 I N 0.298 121.118 120.570 0.417 0.000 2.179 327 I HA -0.122 4.047 4.170 -0.002 0.000 0.242 327 I C 2.677 178.974 176.117 0.301 0.000 1.088 327 I CA 1.363 62.907 61.300 0.408 0.000 1.357 327 I CB -0.170 37.949 38.000 0.197 0.000 1.051 327 I HN 0.145 nan 8.210 nan 0.000 0.409 328 E N 1.274 121.558 120.200 0.140 0.000 2.110 328 E HA -0.183 4.166 4.350 -0.002 0.000 0.193 328 E C 2.127 178.761 176.600 0.057 0.000 0.988 328 E CA 1.515 57.959 56.400 0.073 0.000 0.804 328 E CB -0.159 29.542 29.700 0.001 0.000 0.745 328 E HN 0.431 nan 8.360 nan 0.000 0.458 329 A N -0.223 122.585 122.820 -0.021 0.000 1.933 329 A HA -0.140 4.178 4.320 -0.002 0.000 0.218 329 A C 2.093 179.622 177.584 -0.093 0.000 1.175 329 A CA 1.298 53.186 52.037 -0.248 0.000 0.628 329 A CB -0.794 17.746 19.000 -0.767 0.000 0.814 329 A HN 0.426 nan 8.150 nan 0.000 0.444 330 F N 0.722 120.698 119.950 0.044 0.000 2.113 330 F HA -0.065 4.460 4.527 -0.003 0.000 0.297 330 F C 2.106 178.138 175.800 0.386 0.000 1.103 330 F CA 1.891 60.165 58.000 0.457 0.000 1.248 330 F CB -0.408 39.011 39.000 0.698 0.000 0.999 330 F HN 0.210 nan 8.300 nan 0.000 0.475 331 K N 0.106 120.565 120.400 0.098 0.000 2.063 331 K HA -0.223 4.095 4.320 -0.002 0.000 0.208 331 K C 1.898 178.507 176.600 0.016 0.000 1.048 331 K CA 1.724 58.001 56.287 -0.017 0.000 0.928 331 K CB -0.249 32.281 32.500 0.051 0.000 0.713 331 K HN 0.217 nan 8.250 nan 0.000 0.442 332 N N -0.054 118.690 118.700 0.074 0.000 2.188 332 N HA -0.172 4.566 4.740 -0.002 0.000 0.184 332 N C 1.270 176.840 175.510 0.099 0.000 1.018 332 N CA 1.100 54.190 53.050 0.067 0.000 0.858 332 N CB -0.368 38.158 38.487 0.065 0.000 0.989 332 N HN 0.373 nan 8.380 nan 0.000 0.426 333 W N 1.780 123.102 121.300 0.036 0.000 2.381 333 W HA 0.032 4.689 4.660 -0.005 0.000 0.301 333 W C 1.858 178.393 176.519 0.028 0.000 1.205 333 W CA 0.815 58.214 57.345 0.090 0.000 1.285 333 W CB -0.395 29.221 29.460 0.260 0.000 1.133 333 W HN -0.042 nan 8.180 nan 0.000 0.521 334 L N 0.624 121.886 121.223 0.065 0.000 2.042 334 L HA -0.304 4.034 4.340 -0.002 0.000 0.210 334 L C 2.726 179.479 176.870 -0.195 0.000 1.076 334 L CA 2.022 56.782 54.840 -0.133 0.000 0.749 334 L CB -1.433 40.549 42.059 -0.128 0.000 0.893 334 L HN -0.172 nan 8.230 nan 0.000 0.432 335 K N 0.304 120.629 120.400 -0.124 0.000 2.025 335 K HA -0.197 4.121 4.320 -0.002 0.000 0.207 335 K C 2.147 178.660 176.600 -0.145 0.000 1.049 335 K CA 1.634 57.859 56.287 -0.102 0.000 0.933 335 K CB -0.212 32.255 32.500 -0.054 0.000 0.714 335 K HN 0.313 nan 8.250 nan 0.000 0.438 336 K N 0.463 120.756 120.400 -0.178 0.000 2.034 336 K HA -0.158 4.160 4.320 -0.002 0.000 0.214 336 K C 1.804 178.234 176.600 -0.283 0.000 1.051 336 K CA 2.210 58.372 56.287 -0.208 0.000 0.931 336 K CB -0.414 31.953 32.500 -0.221 0.000 0.715 336 K HN 0.350 nan 8.250 nan 0.000 0.446 337 V N -2.900 116.737 119.914 -0.463 0.000 3.573 337 V HA 0.265 4.383 4.120 -0.002 0.000 0.270 337 V C 0.943 176.876 176.094 -0.269 0.000 1.221 337 V CA 0.760 62.797 62.300 -0.437 0.000 1.163 337 V CB -0.304 31.083 31.823 -0.727 0.000 0.847 337 V HN 0.521 nan 8.190 nan 0.000 0.468 338 G N -0.680 107.999 108.800 -0.201 0.000 2.144 338 G HA2 0.005 3.964 3.960 -0.002 0.000 0.218 338 G HA3 0.005 3.964 3.960 -0.002 0.000 0.218 338 G C 0.251 175.116 174.900 -0.058 0.000 0.988 338 G CA 0.092 45.120 45.100 -0.120 0.000 0.659 338 G HN 1.561 nan 8.290 nan 0.000 0.522 339 A N 0.775 123.567 122.820 -0.046 0.000 2.302 339 A HA 0.811 5.130 4.320 -0.002 0.000 0.285 339 A C -1.480 176.127 177.584 0.037 0.000 1.105 339 A CA -1.074 51.009 52.037 0.077 0.000 0.816 339 A CB 0.664 19.721 19.000 0.094 0.000 1.067 339 A HN 0.225 nan 8.150 nan 0.000 0.489 340 P HA 0.198 nan 4.420 nan 0.000 0.271 340 P C 0.309 177.606 177.300 -0.005 0.000 1.216 340 P CA 0.078 63.185 63.100 0.012 0.000 0.776 340 P CB 1.058 32.759 31.700 0.001 0.000 0.881 341 V N -0.614 119.293 119.914 -0.011 0.000 3.253 341 V HA 0.326 4.444 4.120 -0.002 0.000 0.320 341 V C 0.190 176.284 176.094 -0.002 0.000 1.442 341 V CA -0.025 62.270 62.300 -0.007 0.000 1.097 341 V CB -0.488 31.327 31.823 -0.014 0.000 1.008 341 V HN 0.675 nan 8.190 nan 0.000 0.463 342 S N -1.082 114.611 115.700 -0.011 0.000 2.579 342 S HA 0.627 5.096 4.470 -0.002 0.000 0.272 342 S C 0.289 174.869 174.600 -0.034 0.000 1.141 342 S CA -0.666 57.525 58.200 -0.015 0.000 0.843 342 S CB 1.859 65.051 63.200 -0.014 0.000 1.122 342 S HN 0.050 nan 8.310 nan 0.000 0.468 343 L N 1.164 122.362 121.223 -0.042 0.000 2.079 343 L HA -0.112 4.227 4.340 -0.002 0.000 0.210 343 L C 2.762 179.582 176.870 -0.083 0.000 1.081 343 L CA 1.883 56.678 54.840 -0.075 0.000 0.752 343 L CB -0.503 41.514 42.059 -0.071 0.000 0.896 343 L HN 0.897 nan 8.230 nan 0.000 0.433 344 K N 0.160 120.527 120.400 -0.055 0.000 2.057 344 K HA -0.202 4.117 4.320 -0.002 0.000 0.206 344 K C 1.631 178.205 176.600 -0.043 0.000 1.050 344 K CA 1.677 57.936 56.287 -0.048 0.000 0.935 344 K CB -0.004 32.477 32.500 -0.031 0.000 0.715 344 K HN 0.188 nan 8.250 nan 0.000 0.439 345 D N 0.334 120.714 120.400 -0.035 0.000 2.182 345 D HA -0.152 4.487 4.640 -0.002 0.000 0.201 345 D C 1.339 177.621 176.300 -0.031 0.000 0.986 345 D CA 1.377 55.362 54.000 -0.026 0.000 0.847 345 D CB 0.004 40.793 40.800 -0.018 0.000 0.942 345 D HN 0.394 nan 8.370 nan 0.000 0.467 346 A N -0.839 121.949 122.820 -0.054 0.000 2.308 346 A HA 0.474 4.793 4.320 -0.002 0.000 0.217 346 A C 1.650 179.177 177.584 -0.096 0.000 1.216 346 A CA 0.816 52.812 52.037 -0.069 0.000 0.864 346 A CB 0.040 18.983 19.000 -0.095 0.000 0.902 346 A HN 0.202 nan 8.150 nan 0.000 0.499 347 G N -0.581 108.164 108.800 -0.092 0.000 2.147 347 G HA2 -0.221 3.738 3.960 -0.002 0.000 0.244 347 G HA3 -0.221 3.738 3.960 -0.002 0.000 0.244 347 G C -0.005 174.799 174.900 -0.161 0.000 1.005 347 G CA 0.344 45.388 45.100 -0.094 0.000 0.713 347 G HN 0.468 nan 8.290 nan 0.000 0.515 348 I N 2.742 123.175 120.570 -0.227 0.000 2.312 348 I HA 0.320 4.488 4.170 -0.002 0.000 0.290 348 I C -1.548 174.465 176.117 -0.172 0.000 1.008 348 I CA -2.390 58.703 61.300 -0.346 0.000 1.226 348 I CB 1.568 39.242 38.000 -0.544 0.000 1.371 348 I HN -0.068 nan 8.210 nan 0.000 0.468 349 P HA 0.091 nan 4.420 nan 0.000 0.274 349 P C 0.352 177.637 177.300 -0.024 0.000 1.231 349 P CA -0.243 62.831 63.100 -0.044 0.000 0.790 349 P CB 1.205 32.897 31.700 -0.012 0.000 0.951 350 E N 1.261 121.451 120.200 -0.015 0.000 2.118 350 E HA -0.244 4.105 4.350 -0.002 0.000 0.195 350 E C 1.697 178.303 176.600 0.010 0.000 0.992 350 E CA 1.813 58.211 56.400 -0.005 0.000 0.804 350 E CB 0.007 29.704 29.700 -0.004 0.000 0.741 350 E HN 0.492 nan 8.360 nan 0.000 0.458 351 E N -0.172 120.036 120.200 0.014 0.000 2.409 351 E HA -0.166 4.183 4.350 -0.002 0.000 0.198 351 E C 0.968 177.590 176.600 0.038 0.000 1.024 351 E CA 1.268 57.681 56.400 0.022 0.000 0.861 351 E CB -0.534 29.178 29.700 0.019 0.000 0.788 351 E HN 0.414 nan 8.360 nan 0.000 0.521 352 D N 0.044 120.477 120.400 0.055 0.000 2.347 352 D HA 0.206 4.844 4.640 -0.002 0.000 0.215 352 D C 1.684 178.035 176.300 0.086 0.000 0.976 352 D CA 0.230 54.286 54.000 0.094 0.000 0.884 352 D CB -0.305 40.605 40.800 0.184 0.000 0.915 352 D HN 0.392 nan 8.370 nan 0.000 0.526 353 I N 0.914 121.517 120.570 0.056 0.000 2.151 353 I HA -0.312 3.856 4.170 -0.002 0.000 0.243 353 I C 1.682 177.825 176.117 0.044 0.000 1.080 353 I CA 1.292 62.620 61.300 0.047 0.000 1.339 353 I CB -0.037 37.977 38.000 0.023 0.000 1.039 353 I HN -0.091 nan 8.210 nan 0.000 0.409 354 D N 0.650 121.072 120.400 0.036 0.000 2.144 354 D HA -0.153 4.486 4.640 -0.002 0.000 0.199 354 D C 2.181 178.502 176.300 0.034 0.000 0.984 354 D CA 1.103 55.120 54.000 0.030 0.000 0.834 354 D CB -0.101 40.713 40.800 0.024 0.000 0.955 354 D HN 0.254 nan 8.370 nan 0.000 0.465 355 K N -0.035 120.390 120.400 0.040 0.000 2.097 355 K HA -0.046 4.273 4.320 -0.002 0.000 0.206 355 K C 2.126 178.748 176.600 0.038 0.000 1.049 355 K CA 0.678 56.985 56.287 0.033 0.000 0.933 355 K CB -0.026 32.492 32.500 0.030 0.000 0.717 355 K HN 0.169 nan 8.250 nan 0.000 0.442 356 I N 0.344 120.953 120.570 0.065 0.000 2.252 356 I HA -0.262 3.906 4.170 -0.002 0.000 0.245 356 I C 2.082 178.236 176.117 0.061 0.000 1.102 356 I CA 0.937 62.285 61.300 0.079 0.000 1.385 356 I CB -0.220 37.855 38.000 0.124 0.000 1.064 356 I HN -0.072 nan 8.210 nan 0.000 0.414 357 V N 0.744 120.687 119.914 0.049 0.000 2.343 357 V HA -0.297 3.821 4.120 -0.002 0.000 0.247 357 V C 2.083 178.203 176.094 0.043 0.000 1.051 357 V CA 1.950 64.273 62.300 0.039 0.000 1.036 357 V CB -0.715 31.124 31.823 0.026 0.000 0.654 357 V HN 0.399 nan 8.190 nan 0.000 0.451 358 D N 0.061 120.485 120.400 0.040 0.000 2.104 358 D HA -0.194 4.445 4.640 -0.002 0.000 0.194 358 D C 2.133 178.466 176.300 0.056 0.000 0.994 358 D CA 1.395 55.420 54.000 0.042 0.000 0.830 358 D CB -0.526 40.294 40.800 0.032 0.000 0.959 358 D HN 0.436 nan 8.370 nan 0.000 0.452 359 N N 0.603 119.335 118.700 0.055 0.000 2.166 359 N HA -0.124 4.615 4.740 -0.002 0.000 0.186 359 N C 1.869 177.447 175.510 0.114 0.000 1.019 359 N CA 0.759 53.854 53.050 0.075 0.000 0.856 359 N CB 0.145 38.662 38.487 0.050 0.000 0.993 359 N HN 0.001 nan 8.380 nan 0.000 0.426 360 V N 1.798 121.770 119.914 0.096 0.000 2.295 360 V HA -0.225 3.893 4.120 -0.002 0.000 0.246 360 V C 2.582 178.732 176.094 0.093 0.000 1.049 360 V CA 1.266 63.626 62.300 0.100 0.000 1.024 360 V CB -0.390 31.474 31.823 0.070 0.000 0.648 360 V HN 0.352 nan 8.190 nan 0.000 0.447 361 M N -0.834 118.811 119.600 0.074 0.000 2.213 361 M HA -0.111 4.367 4.480 -0.002 0.000 0.263 361 M C 2.206 178.552 176.300 0.077 0.000 1.062 361 M CA 1.593 56.931 55.300 0.063 0.000 1.105 361 M CB -1.256 31.374 32.600 0.050 0.000 1.385 361 M HN 0.393 nan 8.290 nan 0.000 0.417 362 L N 0.744 122.030 121.223 0.105 0.000 2.056 362 L HA -0.117 4.221 4.340 -0.002 0.000 0.207 362 L C 2.283 179.261 176.870 0.179 0.000 1.078 362 L CA 1.441 56.365 54.840 0.140 0.000 0.749 362 L CB -0.897 41.259 42.059 0.161 0.000 0.901 362 L HN 0.258 nan 8.230 nan 0.000 0.433 363 L N -1.536 119.822 121.223 0.225 0.000 2.042 363 L HA -0.202 4.136 4.340 -0.002 0.000 0.210 363 L C 2.266 179.109 176.870 -0.045 0.000 1.076 363 L CA 1.573 56.523 54.840 0.184 0.000 0.749 363 L CB -0.239 42.001 42.059 0.301 0.000 0.893 363 L HN 0.145 nan 8.230 nan 0.000 0.432 364 V N -0.136 119.786 119.914 0.013 0.000 2.295 364 V HA -0.277 3.841 4.120 -0.002 0.000 0.246 364 V C 2.652 178.725 176.094 -0.034 0.000 1.049 364 V CA 2.038 64.329 62.300 -0.016 0.000 1.024 364 V CB -0.621 31.211 31.823 0.015 0.000 0.648 364 V HN 0.471 nan 8.190 nan 0.000 0.447 365 E N -0.657 119.542 120.200 -0.002 0.000 2.077 365 E HA -0.196 4.153 4.350 -0.002 0.000 0.193 365 E C 2.407 178.994 176.600 -0.022 0.000 0.989 365 E CA 1.537 57.939 56.400 0.002 0.000 0.800 365 E CB -0.267 29.454 29.700 0.036 0.000 0.746 365 E HN 0.712 nan 8.360 nan 0.000 0.452 366 K N -0.318 120.060 120.400 -0.037 0.000 2.276 366 K HA 0.193 4.512 4.320 -0.002 0.000 0.198 366 K C 1.925 178.380 176.600 -0.243 0.000 1.052 366 K CA 0.755 57.014 56.287 -0.046 0.000 0.984 366 K CB -0.214 32.372 32.500 0.145 0.000 0.836 366 K HN 0.404 nan 8.250 nan 0.000 0.490 367 N N -0.137 118.280 118.700 -0.472 0.000 2.499 367 N HA 0.103 4.842 4.740 -0.002 0.000 0.182 367 N C 1.612 176.936 175.510 -0.310 0.000 1.034 367 N CA 0.481 53.177 53.050 -0.590 0.000 0.882 367 N CB 0.387 38.179 38.487 -1.159 0.000 1.125 367 N HN 0.159 nan 8.380 nan 0.000 0.436 368 L N 0.885 121.975 121.223 -0.221 0.000 2.130 368 L HA 0.020 4.359 4.340 -0.002 0.000 0.200 368 L C 2.649 179.461 176.870 -0.097 0.000 1.075 368 L CA 0.491 55.250 54.840 -0.135 0.000 0.768 368 L CB -0.638 41.370 42.059 -0.086 0.000 0.933 368 L HN -0.069 nan 8.230 nan 0.000 0.451 369 K N 0.192 120.545 120.400 -0.077 0.000 2.044 369 K HA -0.129 4.190 4.320 -0.002 0.000 0.210 369 K C -0.052 176.515 176.600 -0.054 0.000 1.049 369 K CA 1.617 57.874 56.287 -0.049 0.000 0.927 369 K CB -1.694 30.788 32.500 -0.030 0.000 0.713 369 K HN 0.319 nan 8.250 nan 0.000 0.443 370 P HA -0.188 nan 4.420 nan 0.000 0.218 370 P C 0.920 178.175 177.300 -0.075 0.000 1.146 370 P CA 1.385 64.444 63.100 -0.068 0.000 0.813 370 P CB -0.076 31.574 31.700 -0.085 0.000 0.778 371 K N -1.996 118.350 120.400 -0.090 0.000 2.399 371 K HA 0.312 4.631 4.320 -0.002 0.000 0.204 371 K C 0.999 177.562 176.600 -0.062 0.000 1.023 371 K CA 0.537 56.771 56.287 -0.088 0.000 1.127 371 K CB -0.499 31.929 32.500 -0.119 0.000 0.856 371 K HN 0.055 nan 8.250 nan 0.000 0.514 372 G N 0.981 109.753 108.800 -0.047 0.000 2.168 372 G HA2 -0.341 3.618 3.960 -0.002 0.000 0.257 372 G HA3 -0.341 3.618 3.960 -0.002 0.000 0.257 372 G C 0.299 175.187 174.900 -0.020 0.000 0.997 372 G CA 0.277 45.361 45.100 -0.028 0.000 0.708 372 G HN 0.727 nan 8.290 nan 0.000 0.520 373 A N -0.453 122.347 122.820 -0.033 0.000 2.286 373 A HA 0.911 5.230 4.320 -0.002 0.000 0.286 373 A C 0.698 178.278 177.584 -0.006 0.000 1.097 373 A CA 0.793 52.818 52.037 -0.020 0.000 0.821 373 A CB 0.970 19.941 19.000 -0.048 0.000 1.076 373 A HN 1.982 nan 8.150 nan 0.000 0.490 374 S N 0.242 115.953 115.700 0.019 0.000 2.627 374 S HA 0.623 5.092 4.470 -0.002 0.000 0.283 374 S C -0.737 173.891 174.600 0.047 0.000 1.127 374 S CA -0.754 57.463 58.200 0.029 0.000 0.863 374 S CB 1.075 64.298 63.200 0.039 0.000 1.121 374 S HN 0.715 nan 8.310 nan 0.000 0.479 375 L N 2.409 123.662 121.223 0.049 0.000 2.363 375 L HA 0.540 4.879 4.340 -0.002 0.000 0.286 375 L C 0.834 177.758 176.870 0.090 0.000 1.106 375 L CA 0.959 55.836 54.840 0.061 0.000 0.859 375 L CB -0.434 41.656 42.059 0.052 0.000 1.223 375 L HN 1.322 nan 8.230 nan 0.000 0.446 376 G N 3.593 112.454 108.800 0.102 0.000 2.712 376 G HA2 -0.224 3.735 3.960 -0.002 0.000 0.683 376 G HA3 -0.224 3.735 3.960 -0.002 0.000 0.683 376 G C -0.253 174.728 174.900 0.135 0.000 1.320 376 G CA 0.151 45.339 45.100 0.146 0.000 0.847 376 G HN 0.743 nan 8.290 nan 0.000 0.553 377 R N -0.873 119.722 120.500 0.158 0.000 3.969 377 R HA 0.228 4.566 4.340 -0.002 0.000 0.120 377 R C 2.620 178.995 176.300 0.124 0.000 0.681 377 R CA 0.771 56.947 56.100 0.126 0.000 1.259 377 R CB -0.363 30.007 30.300 0.116 0.000 1.619 377 R HN 0.993 nan 8.270 nan 0.000 0.452 378 I N -0.632 120.033 120.570 0.159 0.000 2.614 378 I HA 0.161 4.329 4.170 -0.002 0.000 0.258 378 I C 0.694 176.856 176.117 0.074 0.000 1.189 378 I CA 1.077 62.448 61.300 0.119 0.000 1.462 378 I CB 0.176 38.263 38.000 0.145 0.000 1.092 378 I HN 0.105 nan 8.210 nan 0.000 0.442 379 M N 1.630 121.295 119.600 0.107 0.000 2.234 379 M HA 0.418 4.897 4.480 -0.002 0.000 0.267 379 M C -1.630 174.744 176.300 0.124 0.000 1.022 379 M CA -0.511 54.835 55.300 0.076 0.000 0.993 379 M CB 2.271 34.888 32.600 0.028 0.000 1.836 379 M HN -0.154 nan 8.290 nan 0.000 0.479 380 V N 5.585 125.555 119.914 0.093 0.000 2.649 380 V HA 0.364 4.482 4.120 -0.002 0.000 0.292 380 V C -0.150 176.004 176.094 0.100 0.000 1.055 380 V CA -0.325 62.033 62.300 0.096 0.000 1.023 380 V CB 1.431 33.295 31.823 0.068 0.000 0.992 380 V HN 0.737 nan 8.190 nan 0.000 0.480 381 L N 4.794 126.079 121.223 0.104 0.000 2.296 381 L HA 0.542 4.881 4.340 -0.002 0.000 0.286 381 L C 0.190 177.099 176.870 0.066 0.000 1.023 381 L CA -0.524 54.377 54.840 0.101 0.000 0.812 381 L CB 1.355 43.480 42.059 0.110 0.000 1.223 381 L HN 0.568 nan 8.230 nan 0.000 0.421 382 E N 2.037 122.272 120.200 0.059 0.000 2.330 382 E HA 0.203 4.552 4.350 -0.002 0.000 0.256 382 E C 0.731 177.349 176.600 0.030 0.000 1.146 382 E CA -0.558 55.867 56.400 0.042 0.000 0.945 382 E CB 1.034 30.758 29.700 0.041 0.000 1.182 382 E HN 0.437 nan 8.360 nan 0.000 0.480 383 R N 0.788 121.303 120.500 0.026 0.000 2.113 383 R HA -0.253 4.086 4.340 -0.002 0.000 0.244 383 R C 1.383 177.688 176.300 0.007 0.000 1.142 383 R CA 2.224 58.335 56.100 0.018 0.000 0.953 383 R CB -0.017 30.296 30.300 0.021 0.000 0.860 383 R HN 0.363 nan 8.270 nan 0.000 0.438 384 E N 0.542 120.751 120.200 0.015 0.000 2.150 384 E HA -0.146 4.203 4.350 -0.002 0.000 0.193 384 E C 1.674 178.269 176.600 -0.009 0.000 0.985 384 E CA 1.544 57.952 56.400 0.012 0.000 0.814 384 E CB -0.115 29.603 29.700 0.030 0.000 0.752 384 E HN 0.465 nan 8.360 nan 0.000 0.466 385 D N -0.053 120.346 120.400 -0.002 0.000 2.117 385 D HA -0.110 4.528 4.640 -0.002 0.000 0.198 385 D C 2.017 178.162 176.300 -0.259 0.000 0.982 385 D CA 0.988 54.931 54.000 -0.094 0.000 0.828 385 D CB -0.159 40.675 40.800 0.056 0.000 0.967 385 D HN 0.063 nan 8.370 nan 0.000 0.464 386 V N 1.455 121.301 119.914 -0.113 0.000 2.332 386 V HA -0.245 3.873 4.120 -0.002 0.000 0.248 386 V C 2.622 178.655 176.094 -0.103 0.000 1.055 386 V CA 1.577 63.820 62.300 -0.094 0.000 1.038 386 V CB -0.542 31.267 31.823 -0.024 0.000 0.651 386 V HN 0.138 nan 8.190 nan 0.000 0.450 387 R N -0.144 120.312 120.500 -0.074 0.000 2.091 387 R HA -0.181 4.158 4.340 -0.002 0.000 0.238 387 R C 2.329 178.575 176.300 -0.089 0.000 1.136 387 R CA 1.662 57.729 56.100 -0.055 0.000 0.959 387 R CB -0.135 30.151 30.300 -0.024 0.000 0.856 387 R HN 0.526 nan 8.270 nan 0.000 0.437 388 E N 0.490 120.599 120.200 -0.152 0.000 2.106 388 E HA -0.163 4.186 4.350 -0.002 0.000 0.192 388 E C 2.094 178.563 176.600 -0.218 0.000 0.984 388 E CA 1.011 57.319 56.400 -0.154 0.000 0.806 388 E CB -0.144 29.479 29.700 -0.127 0.000 0.750 388 E HN 0.466 nan 8.360 nan 0.000 0.458 389 I N 0.947 121.291 120.570 -0.375 0.000 2.226 389 I HA -0.265 3.903 4.170 -0.002 0.000 0.245 389 I C 2.445 178.507 176.117 -0.092 0.000 1.100 389 I CA 0.896 62.043 61.300 -0.255 0.000 1.374 389 I CB -0.248 37.601 38.000 -0.252 0.000 1.057 389 I HN 0.046 nan 8.210 nan 0.000 0.413 390 L N 0.212 121.389 121.223 -0.077 0.000 2.131 390 L HA -0.207 4.131 4.340 -0.002 0.000 0.210 390 L C 2.792 179.649 176.870 -0.022 0.000 1.092 390 L CA 1.106 55.927 54.840 -0.031 0.000 0.759 390 L CB -0.612 41.437 42.059 -0.016 0.000 0.903 390 L HN 0.064 nan 8.230 nan 0.000 0.435 391 K N 0.034 120.416 120.400 -0.029 0.000 2.097 391 K HA -0.043 4.275 4.320 -0.002 0.000 0.205 391 K C 1.976 178.575 176.600 -0.002 0.000 1.050 391 K CA 0.854 57.134 56.287 -0.012 0.000 0.938 391 K CB -0.635 31.860 32.500 -0.009 0.000 0.718 391 K HN 0.314 nan 8.250 nan 0.000 0.442 392 L N 0.102 121.325 121.223 -0.002 0.000 2.083 392 L HA -0.081 4.258 4.340 -0.002 0.000 0.209 392 L C 2.399 179.281 176.870 0.021 0.000 1.083 392 L CA 1.492 56.344 54.840 0.021 0.000 0.752 392 L CB -0.414 41.669 42.059 0.040 0.000 0.899 392 L HN 0.302 nan 8.230 nan 0.000 0.433 393 A N -1.017 121.811 122.820 0.013 0.000 2.275 393 A HA 0.333 4.651 4.320 -0.002 0.000 0.212 393 A C 2.216 179.800 177.584 -0.000 0.000 1.201 393 A CA 0.734 52.780 52.037 0.015 0.000 0.843 393 A CB -0.255 18.755 19.000 0.018 0.000 0.873 393 A HN 0.326 nan 8.150 nan 0.000 0.492 394 A N -0.443 122.375 122.820 -0.004 0.000 1.929 394 A HA 0.409 4.727 4.320 -0.002 0.000 0.216 394 A C 1.493 179.068 177.584 -0.014 0.000 1.176 394 A CA 1.930 53.960 52.037 -0.012 0.000 0.628 394 A CB -0.277 18.717 19.000 -0.009 0.000 0.816 394 A HN 0.784 nan 8.150 nan 0.000 0.444 395 K N 0.000 120.396 120.400 -0.007 0.000 2.780 395 K HA 0.000 4.319 4.320 -0.002 0.000 0.191 395 K CA 0.000 56.282 56.287 -0.007 0.000 0.838 395 K CB 0.000 32.496 32.500 -0.006 0.000 1.064 395 K HN 0.000 nan 8.250 nan 0.000 0.543