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 1a4s_1_A DATA FIRST_RESID 1 DATA SEQUENCE AQLVDSMPSA STGSVVVTDD LNYWGGRRIK SKDGATTEPV FEPATGRVLC DATA SEQUENCE QMVPCGAEEV DQAVQSAQAA YLKWSKMAGI ERSRVMLEAA RIIRERRDNI DATA SEQUENCE AKLEVINNGK TITEAEYDID AAWQCIEYYA GLAPTLSGQH IQLPGGAFAY DATA SEQUENCE TRREPLGVCA GILAWNYPFM IAAWKCAPAL ACGNAVVFKP SPMTPVTGVI DATA SEQUENCE LAEIFHEAGV PVGLVNVVQG GAETGSLLCH HPNVAKVSFT GSVPTGKKVM DATA SEQUENCE EMSAKTVKHV TLELGGKSPL LIFKDCELEN AVRGALMANF LTQGQVCTNG DATA SEQUENCE TRVFVQREIM PQFLEEVVKR TKAIVVGDPL LTETRMGGLI SKPQLDKVLG DATA SEQUENCE FVAQAKKEGA RVLCGGEPLT PSDPKLKNGY FMSPCVLDNC RDDMTCVKEE DATA SEQUENCE IFGPVMSVLP FDTEEEVLQR ANNTTFGLAS GVFTRDISRA HRVAANLEAG DATA SEQUENCE TCYINTYSIS PVEVPFGGYK MSGFGRENGQ ATVDYYSQLK TVIVEMGDVD DATA SEQUENCE SLF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.578 177.584 -0.010 0.000 1.274 1 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 1 A CB 0.000 18.999 19.000 -0.002 0.000 0.831 2 Q N 0.821 120.616 119.800 -0.008 0.000 2.123 2 Q HA -0.018 4.331 4.340 0.015 0.000 0.199 2 Q C 1.747 177.740 176.000 -0.012 0.000 0.966 2 Q CA 1.881 57.678 55.803 -0.009 0.000 0.845 2 Q CB -0.811 27.922 28.738 -0.008 0.000 0.907 2 Q HN 0.780 nan 8.270 nan 0.000 0.439 3 L N 1.063 122.279 121.223 -0.012 0.000 2.046 3 L HA -0.108 4.241 4.340 0.015 0.000 0.208 3 L C 2.324 179.183 176.870 -0.018 0.000 1.077 3 L CA 1.259 56.091 54.840 -0.013 0.000 0.747 3 L CB -0.497 41.555 42.059 -0.011 0.000 0.896 3 L HN 0.035 nan 8.230 nan 0.000 0.432 4 V N -0.386 119.515 119.914 -0.020 0.000 2.358 4 V HA -0.244 3.884 4.120 0.015 0.000 0.246 4 V C 2.101 178.178 176.094 -0.029 0.000 1.047 4 V CA 1.883 64.165 62.300 -0.030 0.000 1.035 4 V CB -0.726 31.077 31.823 -0.034 0.000 0.658 4 V HN 0.441 nan 8.190 nan 0.000 0.452 5 D N 0.101 120.487 120.400 -0.023 0.000 2.310 5 D HA -0.085 4.564 4.640 0.015 0.000 0.212 5 D C 2.213 178.501 176.300 -0.020 0.000 0.965 5 D CA 1.476 55.463 54.000 -0.021 0.000 0.879 5 D CB -0.032 40.758 40.800 -0.017 0.000 0.921 5 D HN 0.585 nan 8.370 nan 0.000 0.510 6 S N -0.696 114.993 115.700 -0.018 0.000 2.631 6 S HA 0.027 4.506 4.470 0.015 0.000 0.217 6 S C 1.709 176.298 174.600 -0.018 0.000 0.958 6 S CA -0.157 58.033 58.200 -0.017 0.000 0.920 6 S CB -0.039 63.153 63.200 -0.014 0.000 0.776 6 S HN -0.037 nan 8.310 nan 0.000 0.517 7 M N 1.767 121.353 119.600 -0.023 0.000 2.175 7 M HA 0.105 4.594 4.480 0.015 0.000 0.264 7 M C -1.050 175.237 176.300 -0.022 0.000 1.063 7 M CA 0.488 55.773 55.300 -0.024 0.000 1.119 7 M CB -2.405 30.175 32.600 -0.033 0.000 1.377 7 M HN 0.236 nan 8.290 nan 0.000 0.415 8 P HA -0.083 nan 4.420 nan 0.000 0.219 8 P C 1.248 178.538 177.300 -0.016 0.000 1.146 8 P CA 1.463 64.551 63.100 -0.019 0.000 0.808 8 P CB -0.184 31.505 31.700 -0.019 0.000 0.779 9 S N -2.651 113.040 115.700 -0.015 0.000 2.572 9 S HA 0.474 4.952 4.470 0.015 0.000 0.228 9 S C 0.768 175.361 174.600 -0.012 0.000 0.963 9 S CA -0.425 57.768 58.200 -0.012 0.000 0.939 9 S CB -0.514 62.679 63.200 -0.011 0.000 0.804 9 S HN 0.041 nan 8.310 nan 0.000 0.480 10 A N 1.551 124.363 122.820 -0.013 0.000 2.252 10 A HA 0.869 5.198 4.320 0.015 0.000 0.305 10 A C 0.331 177.909 177.584 -0.010 0.000 1.097 10 A CA -0.158 51.872 52.037 -0.012 0.000 0.849 10 A CB 1.064 20.056 19.000 -0.013 0.000 1.142 10 A HN 1.150 nan 8.150 nan 0.000 0.499 11 S N -0.916 114.779 115.700 -0.008 0.000 2.611 11 S HA 0.561 5.040 4.470 0.015 0.000 0.268 11 S C -0.392 174.206 174.600 -0.004 0.000 1.156 11 S CA -0.360 57.836 58.200 -0.006 0.000 0.817 11 S CB 0.513 63.709 63.200 -0.006 0.000 1.122 11 S HN 0.859 nan 8.310 nan 0.000 0.466 12 T N 1.546 116.100 114.554 -0.000 0.000 2.934 12 T HA 0.470 4.828 4.350 0.015 0.000 0.306 12 T C 1.569 176.270 174.700 0.001 0.000 1.042 12 T CA 1.508 63.610 62.100 0.003 0.000 1.145 12 T CB -0.112 68.764 68.868 0.013 0.000 0.982 12 T HN 2.071 nan 8.240 nan 0.000 0.544 13 G N 2.059 110.858 108.800 -0.001 0.000 2.179 13 G HA2 -0.337 3.632 3.960 0.015 0.000 0.260 13 G HA3 -0.337 3.632 3.960 0.015 0.000 0.260 13 G C 1.152 176.051 174.900 -0.002 0.000 0.977 13 G CA 1.012 46.111 45.100 -0.001 0.000 0.641 13 G HN 1.013 nan 8.290 nan 0.000 0.533 14 S N -1.213 114.485 115.700 -0.004 0.000 2.483 14 S HA 0.503 4.981 4.470 0.015 0.000 0.221 14 S C 1.046 175.642 174.600 -0.006 0.000 1.030 14 S CA 0.836 59.033 58.200 -0.005 0.000 0.925 14 S CB 0.478 63.675 63.200 -0.006 0.000 0.795 14 S HN 0.817 nan 8.310 nan 0.000 0.511 15 V N 1.959 121.869 119.914 -0.006 0.000 2.732 15 V HA 0.575 4.704 4.120 0.015 0.000 0.297 15 V C 0.015 176.104 176.094 -0.008 0.000 1.060 15 V CA -0.425 61.871 62.300 -0.008 0.000 1.038 15 V CB 1.447 33.265 31.823 -0.008 0.000 1.003 15 V HN 0.346 nan 8.190 nan 0.000 0.481 16 V N 5.185 125.093 119.914 -0.010 0.000 2.789 16 V HA 0.585 4.714 4.120 0.015 0.000 0.311 16 V C -0.664 175.421 176.094 -0.014 0.000 1.073 16 V CA -0.399 61.893 62.300 -0.014 0.000 0.921 16 V CB 2.439 34.254 31.823 -0.013 0.000 1.009 16 V HN 0.596 nan 8.190 nan 0.000 0.426 17 V N 5.779 125.682 119.914 -0.018 0.000 2.370 17 V HA 0.406 4.535 4.120 0.015 0.000 0.279 17 V C 1.026 177.110 176.094 -0.017 0.000 1.029 17 V CA 0.466 62.757 62.300 -0.015 0.000 0.870 17 V CB 1.503 33.318 31.823 -0.013 0.000 0.984 17 V HN 1.067 nan 8.190 nan 0.000 0.451 18 T N -0.872 113.674 114.554 -0.014 0.000 3.040 18 T HA 0.223 4.582 4.350 0.015 0.000 0.266 18 T C 0.249 174.940 174.700 -0.015 0.000 1.005 18 T CA -0.388 61.703 62.100 -0.015 0.000 0.906 18 T CB -0.013 68.847 68.868 -0.014 0.000 1.082 18 T HN 0.546 nan 8.240 nan 0.000 0.531 19 D N 2.543 122.935 120.400 -0.013 0.000 2.329 19 D HA 0.188 4.837 4.640 0.015 0.000 0.246 19 D C -0.487 175.804 176.300 -0.015 0.000 1.111 19 D CA -0.210 53.783 54.000 -0.013 0.000 0.941 19 D CB 0.872 41.667 40.800 -0.008 0.000 1.169 19 D HN 0.243 nan 8.370 nan 0.000 0.441 20 D N 1.060 121.447 120.400 -0.021 0.000 2.389 20 D HA 0.084 4.732 4.640 0.015 0.000 0.247 20 D C 0.976 177.265 176.300 -0.017 0.000 1.128 20 D CA -0.036 53.946 54.000 -0.030 0.000 0.884 20 D CB 1.544 42.310 40.800 -0.057 0.000 1.194 20 D HN 0.237 nan 8.370 nan 0.000 0.441 21 L N 1.644 122.862 121.223 -0.008 0.000 2.640 21 L HA 0.101 4.450 4.340 0.015 0.000 0.230 21 L C 0.647 177.531 176.870 0.025 0.000 1.123 21 L CA -0.052 54.795 54.840 0.013 0.000 0.900 21 L CB -0.009 42.065 42.059 0.024 0.000 1.146 21 L HN 0.130 nan 8.230 nan 0.000 0.484 22 N N 0.457 119.148 118.700 -0.015 0.000 2.498 22 N HA 0.249 4.997 4.740 0.015 0.000 0.287 22 N C -1.409 174.020 175.510 -0.135 0.000 1.097 22 N CA -0.100 52.935 53.050 -0.025 0.000 0.973 22 N CB 1.783 40.242 38.487 -0.046 0.000 1.153 22 N HN -0.056 nan 8.380 nan 0.000 0.472 23 Y N 1.941 122.114 120.300 -0.211 0.000 2.298 23 Y HA 0.410 4.969 4.550 0.014 0.000 0.322 23 Y C -1.844 174.049 175.900 -0.013 0.000 1.138 23 Y CA -0.860 57.101 58.100 -0.231 0.000 1.127 23 Y CB 0.587 38.972 38.460 -0.125 0.000 1.178 23 Y HN 0.660 nan 8.280 nan 0.000 0.428 24 W N 3.290 124.337 121.300 -0.421 0.000 3.137 24 W HA 0.660 5.328 4.660 0.014 0.000 0.324 24 W C 0.379 176.677 176.519 -0.368 0.000 1.253 24 W CA -1.494 55.654 57.345 -0.329 0.000 1.183 24 W CB 0.871 30.245 29.460 -0.143 0.000 1.424 24 W HN 1.043 nan 8.180 nan 0.000 0.566 25 G N 0.546 109.357 108.800 0.020 0.000 2.198 25 G HA2 0.225 4.194 3.960 0.015 0.000 0.260 25 G HA3 0.225 4.194 3.960 0.015 0.000 0.260 25 G C 1.091 175.846 174.900 -0.241 0.000 1.025 25 G CA 1.230 46.303 45.100 -0.046 0.000 0.769 25 G HN 2.689 nan 8.290 nan 0.000 0.507 26 G N -1.231 107.278 108.800 -0.485 0.000 2.160 26 G HA2 0.007 3.976 3.960 0.015 0.000 0.251 26 G HA3 0.007 3.976 3.960 0.015 0.000 0.251 26 G C 0.214 174.689 174.900 -0.710 0.000 1.008 26 G CA 1.373 46.030 45.100 -0.737 0.000 0.724 26 G HN 2.234 nan 8.290 nan 0.000 0.514 27 R N -1.966 117.960 120.500 -0.957 0.000 2.629 27 R HA 0.659 5.008 4.340 0.015 0.000 0.266 27 R C -0.343 175.638 176.300 -0.532 0.000 1.051 27 R CA -1.256 54.516 56.100 -0.547 0.000 0.895 27 R CB 1.109 31.225 30.300 -0.308 0.000 1.246 27 R HN 0.123 nan 8.270 nan 0.000 0.459 28 R N 1.728 122.145 120.500 -0.139 0.000 2.537 28 R HA 0.227 4.576 4.340 0.015 0.000 0.280 28 R C -0.051 176.091 176.300 -0.263 0.000 1.058 28 R CA -0.245 55.796 56.100 -0.099 0.000 1.057 28 R CB 0.450 30.757 30.300 0.011 0.000 0.973 28 R HN 0.366 nan 8.270 nan 0.000 0.438 29 I N 3.312 123.658 120.570 -0.374 0.000 2.315 29 I HA 0.153 4.332 4.170 0.015 0.000 0.291 29 I C 0.222 176.203 176.117 -0.226 0.000 1.006 29 I CA -0.883 60.162 61.300 -0.426 0.000 1.265 29 I CB 1.229 38.743 38.000 -0.810 0.000 1.387 29 I HN 0.376 nan 8.210 nan 0.000 0.475 30 K N 4.503 124.809 120.400 -0.155 0.000 2.402 30 K HA 0.105 4.434 4.320 0.015 0.000 0.285 30 K C 0.458 177.023 176.600 -0.059 0.000 1.054 30 K CA -0.030 56.206 56.287 -0.086 0.000 1.001 30 K CB 0.314 32.776 32.500 -0.063 0.000 0.946 30 K HN 0.734 nan 8.250 nan 0.000 0.473 31 S N 2.524 118.201 115.700 -0.038 0.000 2.576 31 S HA 0.260 4.739 4.470 0.015 0.000 0.272 31 S C 0.143 174.745 174.600 0.002 0.000 1.352 31 S CA -0.436 57.760 58.200 -0.007 0.000 1.021 31 S CB 1.054 64.255 63.200 0.002 0.000 0.887 31 S HN 0.556 nan 8.310 nan 0.000 0.542 32 K N -0.681 119.731 120.400 0.019 0.000 2.644 32 K HA 0.392 4.721 4.320 0.015 0.000 0.284 32 K C -0.521 176.096 176.600 0.028 0.000 1.023 32 K CA 0.416 56.715 56.287 0.020 0.000 0.809 32 K CB 0.612 33.125 32.500 0.020 0.000 1.504 32 K HN 0.727 nan 8.250 nan 0.000 0.365 33 D N -1.340 119.075 120.400 0.026 0.000 2.154 33 D HA -0.147 4.501 4.640 0.015 0.000 0.165 33 D C 0.453 176.767 176.300 0.022 0.000 1.405 33 D CA 3.113 57.130 54.000 0.027 0.000 1.308 33 D CB -1.440 39.382 40.800 0.036 0.000 1.265 33 D HN 1.211 nan 8.370 nan 0.000 0.498 34 G N 0.405 109.217 108.800 0.020 0.000 2.295 34 G HA2 0.104 4.073 3.960 0.015 0.000 0.287 34 G HA3 0.104 4.073 3.960 0.015 0.000 0.287 34 G C 0.501 175.413 174.900 0.021 0.000 1.055 34 G CA 1.004 46.114 45.100 0.017 0.000 0.922 34 G HN 1.464 nan 8.290 nan 0.000 0.503 35 A N 0.087 122.923 122.820 0.026 0.000 2.520 35 A HA 0.565 4.893 4.320 0.015 0.000 0.235 35 A C 1.171 178.770 177.584 0.025 0.000 1.065 35 A CA 1.088 53.143 52.037 0.030 0.000 0.764 35 A CB 0.203 19.227 19.000 0.039 0.000 1.002 35 A HN 1.178 nan 8.150 nan 0.000 0.502 36 T N 2.834 117.403 114.554 0.025 0.000 2.831 36 T HA 0.330 4.689 4.350 0.015 0.000 0.291 36 T C 1.014 175.727 174.700 0.022 0.000 0.981 36 T CA 0.781 62.895 62.100 0.022 0.000 1.174 36 T CB -0.403 68.479 68.868 0.023 0.000 0.929 36 T HN 0.949 nan 8.240 nan 0.000 0.532 37 T N 1.446 116.009 114.554 0.014 0.000 2.862 37 T HA 0.555 4.914 4.350 0.015 0.000 0.276 37 T C -0.461 174.241 174.700 0.004 0.000 0.974 37 T CA -1.035 61.070 62.100 0.008 0.000 0.966 37 T CB 1.136 70.002 68.868 -0.003 0.000 1.072 37 T HN 0.427 nan 8.240 nan 0.000 0.538 38 E N 1.181 121.376 120.200 -0.008 0.000 2.293 38 E HA 0.429 4.788 4.350 0.015 0.000 0.270 38 E C -2.822 173.730 176.600 -0.081 0.000 0.879 38 E CA -2.400 53.989 56.400 -0.019 0.000 0.756 38 E CB 2.054 31.759 29.700 0.008 0.000 1.208 38 E HN 0.492 nan 8.360 nan 0.000 0.428 39 P HA 0.080 nan 4.420 nan 0.000 0.271 39 P C -0.305 176.690 177.300 -0.507 0.000 1.218 39 P CA -0.357 62.518 63.100 -0.374 0.000 0.780 39 P CB 0.912 32.294 31.700 -0.531 0.000 0.901 40 V N 3.447 123.043 119.914 -0.530 0.000 2.444 40 V HA 0.582 4.711 4.120 0.015 0.000 0.294 40 V C -1.326 174.523 176.094 -0.408 0.000 1.022 40 V CA -0.735 61.356 62.300 -0.349 0.000 0.850 40 V CB 0.412 32.162 31.823 -0.120 0.000 0.992 40 V HN 0.189 nan 8.190 nan 0.000 0.426 41 F N 3.235 123.203 119.950 0.031 0.000 2.440 41 F HA 0.590 5.125 4.527 0.014 0.000 0.328 41 F C 0.552 176.354 175.800 0.003 0.000 1.070 41 F CA -0.595 57.427 58.000 0.036 0.000 1.011 41 F CB 1.568 40.646 39.000 0.131 0.000 1.226 41 F HN 0.649 nan 8.300 nan 0.000 0.491 42 E N 3.197 123.498 120.200 0.168 0.000 2.081 42 E HA 0.279 4.638 4.350 0.015 0.000 0.276 42 E C -2.146 174.402 176.600 -0.087 0.000 0.950 42 E CA -1.956 54.465 56.400 0.034 0.000 0.776 42 E CB 1.362 31.063 29.700 0.001 0.000 1.094 42 E HN 0.233 nan 8.360 nan 0.000 0.402 43 P HA -0.158 nan 4.420 nan 0.000 0.216 43 P C 0.825 177.816 177.300 -0.516 0.000 1.150 43 P CA 1.435 64.366 63.100 -0.281 0.000 0.837 43 P CB 0.230 31.875 31.700 -0.091 0.000 0.786 44 A N -0.826 121.811 122.820 -0.305 0.000 2.015 44 A HA -0.136 4.193 4.320 0.015 0.000 0.219 44 A C 2.042 179.558 177.584 -0.114 0.000 1.163 44 A CA 2.408 54.321 52.037 -0.208 0.000 0.646 44 A CB -1.474 17.542 19.000 0.027 0.000 0.806 44 A HN 0.371 nan 8.150 nan 0.000 0.448 45 T N -7.023 107.422 114.554 -0.182 0.000 2.954 45 T HA 0.442 4.800 4.350 0.015 0.000 0.252 45 T C 1.431 176.013 174.700 -0.197 0.000 0.983 45 T CA 1.062 63.094 62.100 -0.114 0.000 0.941 45 T CB 0.423 69.264 68.868 -0.045 0.000 1.141 45 T HN 1.685 nan 8.240 nan 0.000 0.500 46 G N 2.044 110.635 108.800 -0.348 0.000 2.175 46 G HA2 -0.243 3.726 3.960 0.015 0.000 0.244 46 G HA3 -0.243 3.726 3.960 0.015 0.000 0.244 46 G C 0.231 175.161 174.900 0.049 0.000 0.982 46 G CA -0.032 44.887 45.100 -0.301 0.000 0.641 46 G HN 0.728 nan 8.290 nan 0.000 0.527 47 R N -0.460 120.074 120.500 0.057 0.000 2.707 47 R HA 0.504 4.853 4.340 0.015 0.000 0.270 47 R C 0.246 176.657 176.300 0.186 0.000 1.083 47 R CA -0.238 55.927 56.100 0.109 0.000 1.182 47 R CB 0.880 31.204 30.300 0.040 0.000 1.084 47 R HN 0.071 nan 8.270 nan 0.000 0.528 48 V N 3.292 123.256 119.914 0.083 0.000 2.383 48 V HA 0.080 4.209 4.120 0.015 0.000 0.275 48 V C 1.080 177.129 176.094 -0.074 0.000 1.036 48 V CA -0.064 62.187 62.300 -0.082 0.000 0.889 48 V CB 1.305 33.054 31.823 -0.122 0.000 0.985 48 V HN 0.662 nan 8.190 nan 0.000 0.459 49 L N 4.320 125.482 121.223 -0.102 0.000 2.354 49 L HA 0.215 4.564 4.340 0.015 0.000 0.212 49 L C 0.751 177.582 176.870 -0.065 0.000 1.091 49 L CA 0.621 55.426 54.840 -0.057 0.000 0.828 49 L CB 0.323 42.359 42.059 -0.038 0.000 0.973 49 L HN 0.917 nan 8.230 nan 0.000 0.461 50 C N -4.001 115.238 119.300 -0.102 0.000 3.056 50 C HA 0.338 4.806 4.460 0.015 0.000 0.336 50 C C -1.585 173.338 174.990 -0.113 0.000 1.356 50 C CA -1.241 57.727 59.018 -0.083 0.000 1.216 50 C CB 1.232 28.942 27.740 -0.051 0.000 1.391 50 C HN 0.043 nan 8.230 nan 0.000 0.445 51 Q N 1.111 120.864 119.800 -0.078 0.000 2.282 51 Q HA 0.600 4.949 4.340 0.015 0.000 0.260 51 Q C -0.508 175.466 176.000 -0.043 0.000 0.964 51 Q CA -0.316 55.442 55.803 -0.074 0.000 0.880 51 Q CB 1.935 30.642 28.738 -0.052 0.000 1.286 51 Q HN 0.917 nan 8.270 nan 0.000 0.445 52 M N 0.641 120.220 119.600 -0.035 0.000 2.188 52 M HA 0.406 4.894 4.480 0.015 0.000 0.357 52 M C -0.930 175.378 176.300 0.013 0.000 1.204 52 M CA -0.527 54.772 55.300 -0.001 0.000 1.095 52 M CB 1.283 33.890 32.600 0.011 0.000 1.604 52 M HN 0.205 nan 8.290 nan 0.000 0.464 53 V N 7.163 127.093 119.914 0.026 0.000 2.293 53 V HA 0.642 4.771 4.120 0.015 0.000 0.275 53 V C -2.380 173.751 176.094 0.062 0.000 1.021 53 V CA -1.993 60.329 62.300 0.037 0.000 0.815 53 V CB 0.861 32.702 31.823 0.030 0.000 1.025 53 V HN 0.955 nan 8.190 nan 0.000 0.448 54 P HA 0.161 nan 4.420 nan 0.000 0.269 54 P C -0.235 177.118 177.300 0.089 0.000 1.209 54 P CA -0.025 63.121 63.100 0.077 0.000 0.776 54 P CB 0.771 32.511 31.700 0.066 0.000 0.876 55 C N 2.448 121.808 119.300 0.101 0.000 2.405 55 C HA 0.666 5.135 4.460 0.015 0.000 0.365 55 C C 1.432 176.462 174.990 0.068 0.000 1.233 55 C CA 0.158 59.239 59.018 0.103 0.000 2.230 55 C CB 0.732 28.537 27.740 0.107 0.000 2.443 55 C HN 0.743 nan 8.230 nan 0.000 0.556 56 G N 0.780 109.614 108.800 0.058 0.000 2.795 56 G HA2 0.520 4.489 3.960 0.015 0.000 0.267 56 G HA3 0.520 4.489 3.960 0.015 0.000 0.267 56 G C 0.919 175.833 174.900 0.025 0.000 1.362 56 G CA 0.289 45.415 45.100 0.043 0.000 1.048 56 G HN 0.920 nan 8.290 nan 0.000 0.547 57 A N -0.612 122.224 122.820 0.027 0.000 1.908 57 A HA -0.052 4.277 4.320 0.015 0.000 0.218 57 A C 2.113 179.700 177.584 0.005 0.000 1.181 57 A CA 2.406 54.458 52.037 0.025 0.000 0.627 57 A CB -0.592 18.422 19.000 0.024 0.000 0.818 57 A HN 0.600 nan 8.150 nan 0.000 0.445 58 E N 0.186 120.386 120.200 0.000 0.000 2.077 58 E HA -0.155 4.204 4.350 0.015 0.000 0.193 58 E C 1.842 178.398 176.600 -0.074 0.000 0.989 58 E CA 1.587 57.979 56.400 -0.012 0.000 0.800 58 E CB -0.312 29.398 29.700 0.018 0.000 0.746 58 E HN 0.722 nan 8.360 nan 0.000 0.452 59 E N 0.113 120.265 120.200 -0.079 0.000 2.072 59 E HA -0.074 4.284 4.350 0.015 0.000 0.190 59 E C 2.074 178.354 176.600 -0.534 0.000 0.982 59 E CA 0.719 56.980 56.400 -0.231 0.000 0.803 59 E CB -0.120 29.585 29.700 0.009 0.000 0.755 59 E HN 0.036 nan 8.360 nan 0.000 0.453 60 V N 1.260 121.010 119.914 -0.275 0.000 2.343 60 V HA -0.274 3.855 4.120 0.015 0.000 0.247 60 V C 1.975 177.876 176.094 -0.321 0.000 1.051 60 V CA 2.157 64.296 62.300 -0.267 0.000 1.036 60 V CB -0.485 31.287 31.823 -0.085 0.000 0.654 60 V HN 0.300 nan 8.190 nan 0.000 0.451 61 D N -0.681 119.615 120.400 -0.173 0.000 2.144 61 D HA -0.205 4.444 4.640 0.015 0.000 0.199 61 D C 2.241 178.395 176.300 -0.244 0.000 0.984 61 D CA 1.364 55.309 54.000 -0.092 0.000 0.834 61 D CB -0.057 40.789 40.800 0.077 0.000 0.955 61 D HN 0.480 nan 8.370 nan 0.000 0.465 62 Q N -0.477 119.088 119.800 -0.390 0.000 2.084 62 Q HA -0.104 4.245 4.340 0.015 0.000 0.202 62 Q C 2.224 177.813 176.000 -0.684 0.000 0.978 62 Q CA 1.362 56.876 55.803 -0.481 0.000 0.844 62 Q CB -0.172 28.246 28.738 -0.533 0.000 0.898 62 Q HN 0.377 nan 8.270 nan 0.000 0.426 63 A N 0.068 122.284 122.820 -1.006 0.000 1.883 63 A HA -0.170 4.159 4.320 0.015 0.000 0.217 63 A C 2.272 179.661 177.584 -0.324 0.000 1.186 63 A CA 1.579 53.214 52.037 -0.671 0.000 0.624 63 A CB -0.788 17.855 19.000 -0.595 0.000 0.822 63 A HN 0.238 nan 8.150 nan 0.000 0.444 64 V N -0.076 119.622 119.914 -0.360 0.000 2.358 64 V HA -0.309 3.820 4.120 0.015 0.000 0.246 64 V C 2.638 178.628 176.094 -0.173 0.000 1.047 64 V CA 2.200 64.316 62.300 -0.306 0.000 1.035 64 V CB -0.971 30.488 31.823 -0.606 0.000 0.658 64 V HN 0.634 nan 8.190 nan 0.000 0.452 65 Q N -0.266 119.446 119.800 -0.147 0.000 2.096 65 Q HA -0.228 4.121 4.340 0.015 0.000 0.204 65 Q C 2.539 178.529 176.000 -0.018 0.000 0.982 65 Q CA 1.995 57.767 55.803 -0.052 0.000 0.850 65 Q CB -0.350 28.367 28.738 -0.036 0.000 0.901 65 Q HN 0.647 nan 8.270 nan 0.000 0.422 66 S N 0.218 115.900 115.700 -0.030 0.000 2.368 66 S HA -0.132 4.347 4.470 0.015 0.000 0.224 66 S C 2.041 176.670 174.600 0.049 0.000 1.029 66 S CA 1.001 59.224 58.200 0.037 0.000 0.988 66 S CB -0.173 63.080 63.200 0.088 0.000 0.838 66 S HN 0.431 nan 8.310 nan 0.000 0.462 67 A N 0.978 123.810 122.820 0.019 0.000 1.908 67 A HA -0.155 4.173 4.320 0.015 0.000 0.218 67 A C 2.166 179.795 177.584 0.076 0.000 1.181 67 A CA 2.121 54.177 52.037 0.031 0.000 0.627 67 A CB -1.118 17.872 19.000 -0.017 0.000 0.818 67 A HN 0.650 nan 8.150 nan 0.000 0.445 68 Q N -0.035 119.803 119.800 0.063 0.000 2.050 68 Q HA -0.027 4.322 4.340 0.015 0.000 0.202 68 Q C 2.025 178.130 176.000 0.175 0.000 0.980 68 Q CA 2.379 58.261 55.803 0.131 0.000 0.840 68 Q CB -0.659 28.130 28.738 0.083 0.000 0.898 68 Q HN 0.530 nan 8.270 nan 0.000 0.424 69 A N 0.243 123.131 122.820 0.112 0.000 1.933 69 A HA 0.016 4.345 4.320 0.015 0.000 0.218 69 A C 2.278 179.925 177.584 0.105 0.000 1.175 69 A CA 1.767 53.862 52.037 0.098 0.000 0.628 69 A CB -1.090 17.953 19.000 0.073 0.000 0.814 69 A HN 0.538 nan 8.150 nan 0.000 0.444 70 A N -1.421 121.466 122.820 0.111 0.000 1.930 70 A HA -0.061 4.267 4.320 0.015 0.000 0.217 70 A C 2.081 179.760 177.584 0.157 0.000 1.175 70 A CA 1.541 53.639 52.037 0.102 0.000 0.627 70 A CB -0.781 18.250 19.000 0.053 0.000 0.815 70 A HN 0.759 nan 8.150 nan 0.000 0.443 71 Y N 0.368 120.714 120.300 0.076 0.000 2.165 71 Y HA -0.208 4.349 4.550 0.013 0.000 0.286 71 Y C 1.790 177.766 175.900 0.128 0.000 1.155 71 Y CA 1.586 59.758 58.100 0.120 0.000 1.164 71 Y CB -0.402 38.108 38.460 0.083 0.000 0.978 71 Y HN 0.184 nan 8.280 nan 0.000 0.513 72 L N 0.799 121.959 121.223 -0.104 0.000 2.081 72 L HA -0.209 4.140 4.340 0.015 0.000 0.212 72 L C 2.412 179.205 176.870 -0.129 0.000 1.080 72 L CA 2.201 56.929 54.840 -0.187 0.000 0.754 72 L CB -1.306 40.737 42.059 -0.028 0.000 0.893 72 L HN 0.287 nan 8.230 nan 0.000 0.433 73 K N -1.333 119.061 120.400 -0.012 0.000 2.067 73 K HA -0.179 4.150 4.320 0.015 0.000 0.203 73 K C 2.176 178.826 176.600 0.084 0.000 1.048 73 K CA 1.132 57.442 56.287 0.038 0.000 0.954 73 K CB -0.763 31.789 32.500 0.087 0.000 0.737 73 K HN 0.362 nan 8.250 nan 0.000 0.444 74 W N 1.732 122.983 121.300 -0.081 0.000 2.363 74 W HA -0.183 4.486 4.660 0.016 0.000 0.296 74 W C 1.551 178.022 176.519 -0.079 0.000 1.212 74 W CA 1.873 59.185 57.345 -0.054 0.000 1.260 74 W CB -0.166 29.286 29.460 -0.013 0.000 1.131 74 W HN 0.324 nan 8.180 nan 0.000 0.530 75 S N 0.181 115.833 115.700 -0.079 0.000 2.507 75 S HA -0.101 4.378 4.470 0.015 0.000 0.235 75 S C 1.262 175.749 174.600 -0.188 0.000 0.988 75 S CA 0.818 58.899 58.200 -0.198 0.000 0.944 75 S CB -0.212 62.760 63.200 -0.382 0.000 0.762 75 S HN -0.018 nan 8.310 nan 0.000 0.526 76 K N 0.785 121.090 120.400 -0.158 0.000 2.404 76 K HA 0.409 4.738 4.320 0.015 0.000 0.194 76 K C 0.241 176.763 176.600 -0.130 0.000 1.023 76 K CA 0.056 56.272 56.287 -0.120 0.000 1.094 76 K CB -0.251 32.199 32.500 -0.083 0.000 0.841 76 K HN 0.528 nan 8.250 nan 0.000 0.523 77 M N 0.528 120.009 119.600 -0.198 0.000 2.216 77 M HA 0.298 4.787 4.480 0.015 0.000 0.356 77 M C 0.353 176.497 176.300 -0.260 0.000 1.205 77 M CA -0.561 54.600 55.300 -0.231 0.000 1.122 77 M CB 1.420 33.836 32.600 -0.306 0.000 1.571 77 M HN -0.041 nan 8.290 nan 0.000 0.464 78 A N 2.297 125.007 122.820 -0.182 0.000 2.366 78 A HA 0.480 4.808 4.320 0.015 0.000 0.250 78 A C 1.370 178.842 177.584 -0.186 0.000 1.099 78 A CA 0.126 52.070 52.037 -0.154 0.000 0.794 78 A CB -0.360 18.580 19.000 -0.100 0.000 1.056 78 A HN 1.049 nan 8.150 nan 0.000 0.499 79 G N -0.381 108.337 108.800 -0.136 0.000 2.469 79 G HA2 -0.222 3.747 3.960 0.015 0.000 0.219 79 G HA3 -0.222 3.747 3.960 0.015 0.000 0.219 79 G C 1.315 176.156 174.900 -0.098 0.000 1.150 79 G CA 1.388 46.417 45.100 -0.119 0.000 0.763 79 G HN 0.702 nan 8.290 nan 0.000 0.561 80 I N 0.330 120.854 120.570 -0.077 0.000 2.493 80 I HA -0.029 4.149 4.170 0.015 0.000 0.254 80 I C 2.581 178.664 176.117 -0.056 0.000 1.160 80 I CA 1.097 62.367 61.300 -0.051 0.000 1.445 80 I CB 0.047 38.024 38.000 -0.039 0.000 1.086 80 I HN 0.289 nan 8.210 nan 0.000 0.433 81 E N -0.080 120.061 120.200 -0.098 0.000 2.122 81 E HA -0.106 4.253 4.350 0.015 0.000 0.190 81 E C 2.225 178.742 176.600 -0.138 0.000 0.977 81 E CA 0.521 56.863 56.400 -0.096 0.000 0.820 81 E CB -0.059 29.575 29.700 -0.110 0.000 0.770 81 E HN 0.445 nan 8.360 nan 0.000 0.462 82 R N 0.714 121.036 120.500 -0.297 0.000 2.075 82 R HA -0.061 4.288 4.340 0.015 0.000 0.232 82 R C 2.582 178.906 176.300 0.039 0.000 1.126 82 R CA 1.112 56.986 56.100 -0.375 0.000 0.963 82 R CB -0.409 29.517 30.300 -0.623 0.000 0.858 82 R HN 0.020 nan 8.270 nan 0.000 0.435 83 S N 0.631 116.341 115.700 0.018 0.000 2.372 83 S HA -0.174 4.304 4.470 0.015 0.000 0.227 83 S C 2.028 176.697 174.600 0.116 0.000 1.044 83 S CA 1.265 59.513 58.200 0.080 0.000 1.050 83 S CB -0.076 63.144 63.200 0.032 0.000 0.901 83 S HN 0.217 nan 8.310 nan 0.000 0.447 84 R N 0.299 120.852 120.500 0.088 0.000 2.096 84 R HA -0.026 4.322 4.340 0.015 0.000 0.235 84 R C 2.265 178.649 176.300 0.139 0.000 1.127 84 R CA 1.293 57.449 56.100 0.093 0.000 0.968 84 R CB -1.063 29.276 30.300 0.066 0.000 0.861 84 R HN 0.415 nan 8.270 nan 0.000 0.440 85 V N 1.148 121.184 119.914 0.204 0.000 2.323 85 V HA -0.226 3.903 4.120 0.015 0.000 0.244 85 V C 2.461 178.724 176.094 0.282 0.000 1.041 85 V CA 1.567 64.022 62.300 0.259 0.000 1.025 85 V CB -0.378 31.678 31.823 0.389 0.000 0.656 85 V HN 0.267 nan 8.190 nan 0.000 0.451 86 M N -0.750 119.053 119.600 0.339 0.000 2.149 86 M HA -0.196 4.292 4.480 0.015 0.000 0.261 86 M C 2.184 178.638 176.300 0.256 0.000 1.064 86 M CA 1.890 57.406 55.300 0.359 0.000 1.102 86 M CB -0.515 32.304 32.600 0.365 0.000 1.369 86 M HN 0.277 nan 8.290 nan 0.000 0.408 87 L N -0.236 121.102 121.223 0.191 0.000 2.046 87 L HA -0.192 4.157 4.340 0.015 0.000 0.208 87 L C 2.609 179.537 176.870 0.098 0.000 1.077 87 L CA 0.982 55.904 54.840 0.138 0.000 0.747 87 L CB -0.640 41.482 42.059 0.104 0.000 0.896 87 L HN 0.277 nan 8.230 nan 0.000 0.432 88 E N 0.217 120.475 120.200 0.097 0.000 2.110 88 E HA -0.203 4.156 4.350 0.015 0.000 0.193 88 E C 2.251 178.879 176.600 0.047 0.000 0.988 88 E CA 1.322 57.761 56.400 0.064 0.000 0.804 88 E CB -0.237 29.509 29.700 0.076 0.000 0.745 88 E HN 0.476 nan 8.360 nan 0.000 0.458 89 A N 1.678 124.542 122.820 0.073 0.000 1.858 89 A HA -0.118 4.211 4.320 0.015 0.000 0.216 89 A C 2.471 180.042 177.584 -0.022 0.000 1.190 89 A CA 2.311 54.330 52.037 -0.030 0.000 0.617 89 A CB -0.753 18.162 19.000 -0.143 0.000 0.827 89 A HN 0.280 nan 8.150 nan 0.000 0.443 90 A N -0.497 122.364 122.820 0.068 0.000 1.940 90 A HA -0.201 4.128 4.320 0.015 0.000 0.219 90 A C 2.256 179.805 177.584 -0.058 0.000 1.176 90 A CA 1.836 53.945 52.037 0.121 0.000 0.631 90 A CB -0.546 18.598 19.000 0.239 0.000 0.814 90 A HN 0.569 nan 8.150 nan 0.000 0.446 91 R N -0.294 120.159 120.500 -0.079 0.000 2.091 91 R HA -0.121 4.228 4.340 0.015 0.000 0.238 91 R C 1.862 178.078 176.300 -0.139 0.000 1.136 91 R CA 1.912 57.922 56.100 -0.150 0.000 0.959 91 R CB -0.387 29.863 30.300 -0.084 0.000 0.856 91 R HN 0.574 nan 8.270 nan 0.000 0.437 92 I N 0.311 120.835 120.570 -0.077 0.000 2.353 92 I HA -0.238 3.941 4.170 0.015 0.000 0.248 92 I C 2.111 178.192 176.117 -0.059 0.000 1.119 92 I CA 0.982 62.246 61.300 -0.061 0.000 1.417 92 I CB -0.105 37.875 38.000 -0.034 0.000 1.078 92 I HN 0.185 nan 8.210 nan 0.000 0.421 93 I N 0.224 120.775 120.570 -0.031 0.000 2.252 93 I HA -0.249 3.930 4.170 0.015 0.000 0.245 93 I C 2.730 178.816 176.117 -0.052 0.000 1.102 93 I CA 1.148 62.472 61.300 0.039 0.000 1.385 93 I CB -0.430 37.708 38.000 0.229 0.000 1.064 93 I HN 0.128 nan 8.210 nan 0.000 0.414 94 R N 0.903 121.237 120.500 -0.277 0.000 2.094 94 R HA -0.231 4.118 4.340 0.015 0.000 0.239 94 R C 2.226 178.392 176.300 -0.223 0.000 1.137 94 R CA 2.015 57.825 56.100 -0.483 0.000 0.943 94 R CB -0.398 29.449 30.300 -0.754 0.000 0.850 94 R HN 0.438 nan 8.270 nan 0.000 0.433 95 E N -0.145 119.949 120.200 -0.177 0.000 2.118 95 E HA -0.185 4.174 4.350 0.015 0.000 0.195 95 E C 1.306 177.859 176.600 -0.079 0.000 0.992 95 E CA 1.116 57.449 56.400 -0.112 0.000 0.804 95 E CB 0.048 29.694 29.700 -0.090 0.000 0.741 95 E HN 0.273 nan 8.360 nan 0.000 0.458 96 R N 0.250 120.708 120.500 -0.070 0.000 2.552 96 R HA 0.199 4.548 4.340 0.015 0.000 0.314 96 R C 1.628 177.887 176.300 -0.069 0.000 1.041 96 R CA -0.326 55.737 56.100 -0.061 0.000 1.076 96 R CB 0.362 30.628 30.300 -0.056 0.000 1.290 96 R HN -0.047 nan 8.270 nan 0.000 0.563 97 R N 1.847 122.317 120.500 -0.050 0.000 2.097 97 R HA -0.161 4.187 4.340 0.015 0.000 0.236 97 R C 0.633 176.901 176.300 -0.053 0.000 1.135 97 R CA 2.004 58.090 56.100 -0.024 0.000 0.934 97 R CB -0.095 30.227 30.300 0.037 0.000 0.846 97 R HN 0.201 nan 8.270 nan 0.000 0.431 98 D N 0.256 120.630 120.400 -0.043 0.000 2.117 98 D HA -0.122 4.527 4.640 0.015 0.000 0.197 98 D C 1.680 177.944 176.300 -0.059 0.000 0.987 98 D CA 0.934 54.906 54.000 -0.046 0.000 0.829 98 D CB -0.478 40.301 40.800 -0.036 0.000 0.961 98 D HN 0.237 nan 8.370 nan 0.000 0.460 99 N N 0.669 119.331 118.700 -0.064 0.000 2.142 99 N HA -0.060 4.689 4.740 0.015 0.000 0.186 99 N C 2.112 177.565 175.510 -0.095 0.000 1.023 99 N CA 0.418 53.428 53.050 -0.067 0.000 0.852 99 N CB -0.292 38.161 38.487 -0.058 0.000 0.998 99 N HN 0.273 nan 8.380 nan 0.000 0.424 100 I N 1.080 121.565 120.570 -0.142 0.000 2.226 100 I HA -0.247 3.932 4.170 0.015 0.000 0.245 100 I C 2.294 178.279 176.117 -0.220 0.000 1.100 100 I CA 1.025 62.182 61.300 -0.238 0.000 1.374 100 I CB -0.330 37.415 38.000 -0.426 0.000 1.057 100 I HN 0.065 nan 8.210 nan 0.000 0.413 101 A N 0.581 123.303 122.820 -0.164 0.000 1.877 101 A HA -0.247 4.081 4.320 0.015 0.000 0.216 101 A C 2.402 179.941 177.584 -0.075 0.000 1.186 101 A CA 1.678 53.647 52.037 -0.112 0.000 0.620 101 A CB -0.528 18.430 19.000 -0.070 0.000 0.822 101 A HN 0.275 nan 8.150 nan 0.000 0.443 102 K N -0.666 119.696 120.400 -0.063 0.000 2.020 102 K HA -0.128 4.201 4.320 0.015 0.000 0.212 102 K C 1.982 178.558 176.600 -0.039 0.000 1.050 102 K CA 1.582 57.844 56.287 -0.042 0.000 0.929 102 K CB -0.399 32.079 32.500 -0.038 0.000 0.714 102 K HN 0.499 nan 8.250 nan 0.000 0.443 103 L N 0.963 122.156 121.223 -0.050 0.000 2.131 103 L HA -0.211 4.138 4.340 0.015 0.000 0.210 103 L C 2.315 179.170 176.870 -0.025 0.000 1.092 103 L CA 1.506 56.325 54.840 -0.035 0.000 0.759 103 L CB -0.265 41.769 42.059 -0.042 0.000 0.903 103 L HN 0.275 nan 8.230 nan 0.000 0.435 104 E N -0.501 119.673 120.200 -0.044 0.000 2.110 104 E HA -0.182 4.177 4.350 0.015 0.000 0.193 104 E C 2.023 178.619 176.600 -0.006 0.000 0.988 104 E CA 1.376 57.766 56.400 -0.018 0.000 0.804 104 E CB -0.042 29.633 29.700 -0.042 0.000 0.745 104 E HN 0.291 nan 8.360 nan 0.000 0.458 105 V N 0.659 120.562 119.914 -0.017 0.000 2.343 105 V HA -0.243 3.886 4.120 0.015 0.000 0.247 105 V C 2.331 178.423 176.094 -0.003 0.000 1.051 105 V CA 1.790 64.084 62.300 -0.010 0.000 1.036 105 V CB -0.417 31.400 31.823 -0.010 0.000 0.654 105 V HN 0.341 nan 8.190 nan 0.000 0.451 106 I N 0.259 120.827 120.570 -0.003 0.000 2.226 106 I HA -0.281 3.898 4.170 0.015 0.000 0.245 106 I C 2.364 178.487 176.117 0.010 0.000 1.100 106 I CA 2.142 63.441 61.300 -0.000 0.000 1.374 106 I CB -0.420 37.578 38.000 -0.003 0.000 1.057 106 I HN 0.419 nan 8.210 nan 0.000 0.413 107 N N 0.250 118.963 118.700 0.022 0.000 2.207 107 N HA -0.192 4.557 4.740 0.015 0.000 0.182 107 N C 1.846 177.390 175.510 0.056 0.000 1.020 107 N CA 0.898 53.974 53.050 0.043 0.000 0.858 107 N CB 0.086 38.606 38.487 0.055 0.000 0.991 107 N HN 0.282 nan 8.380 nan 0.000 0.427 108 N N -0.304 118.426 118.700 0.051 0.000 2.402 108 N HA -0.019 4.730 4.740 0.015 0.000 0.174 108 N C 1.050 176.583 175.510 0.039 0.000 1.027 108 N CA 1.438 54.531 53.050 0.071 0.000 0.891 108 N CB 0.601 39.129 38.487 0.069 0.000 1.016 108 N HN 0.367 nan 8.380 nan 0.000 0.439 109 G N 1.347 110.151 108.800 0.006 0.000 2.195 109 G HA2 -0.267 3.702 3.960 0.015 0.000 0.224 109 G HA3 -0.267 3.702 3.960 0.015 0.000 0.224 109 G C 0.015 174.905 174.900 -0.015 0.000 0.990 109 G CA 0.503 45.591 45.100 -0.020 0.000 0.639 109 G HN 0.730 nan 8.290 nan 0.000 0.514 110 K N 0.842 121.230 120.400 -0.021 0.000 2.102 110 K HA 0.619 4.948 4.320 0.015 0.000 0.244 110 K C 0.835 177.429 176.600 -0.009 0.000 1.021 110 K CA 0.149 56.418 56.287 -0.031 0.000 0.913 110 K CB 0.417 32.863 32.500 -0.091 0.000 1.062 110 K HN 0.427 nan 8.250 nan 0.000 0.485 111 T N -1.068 113.488 114.554 0.004 0.000 2.860 111 T HA 0.122 4.481 4.350 0.015 0.000 0.299 111 T C 1.365 176.077 174.700 0.020 0.000 1.045 111 T CA -0.557 61.555 62.100 0.020 0.000 1.071 111 T CB 0.193 69.079 68.868 0.030 0.000 0.985 111 T HN 0.554 nan 8.240 nan 0.000 0.537 112 I N 0.387 120.969 120.570 0.020 0.000 2.493 112 I HA -0.003 4.176 4.170 0.015 0.000 0.254 112 I C 2.560 178.701 176.117 0.041 0.000 1.160 112 I CA 0.834 62.144 61.300 0.016 0.000 1.445 112 I CB -1.770 36.232 38.000 0.004 0.000 1.086 112 I HN 0.678 nan 8.210 nan 0.000 0.433 113 T N 0.766 115.357 114.554 0.062 0.000 2.684 113 T HA -0.191 4.168 4.350 0.015 0.000 0.267 113 T C 1.814 176.650 174.700 0.226 0.000 1.036 113 T CA 2.005 64.175 62.100 0.118 0.000 1.148 113 T CB -0.310 68.627 68.868 0.116 0.000 0.863 113 T HN 0.502 nan 8.240 nan 0.000 0.436 114 E N 0.832 121.131 120.200 0.165 0.000 2.047 114 E HA -0.019 4.340 4.350 0.015 0.000 0.191 114 E C 2.623 179.327 176.600 0.174 0.000 0.987 114 E CA 0.862 57.373 56.400 0.185 0.000 0.799 114 E CB -0.235 29.497 29.700 0.054 0.000 0.752 114 E HN 0.462 nan 8.360 nan 0.000 0.449 115 A N 1.570 124.436 122.820 0.076 0.000 1.940 115 A HA -0.267 4.062 4.320 0.015 0.000 0.219 115 A C 1.890 179.501 177.584 0.046 0.000 1.176 115 A CA 1.582 53.642 52.037 0.038 0.000 0.631 115 A CB -0.469 18.529 19.000 -0.003 0.000 0.814 115 A HN 0.203 nan 8.150 nan 0.000 0.446 116 E N -1.443 118.774 120.200 0.028 0.000 2.110 116 E HA -0.210 4.149 4.350 0.015 0.000 0.193 116 E C 1.757 178.324 176.600 -0.055 0.000 0.988 116 E CA 1.472 57.846 56.400 -0.043 0.000 0.804 116 E CB -0.317 29.313 29.700 -0.116 0.000 0.745 116 E HN 0.833 nan 8.360 nan 0.000 0.458 117 Y N 1.440 121.753 120.300 0.022 0.000 2.242 117 Y HA -0.177 4.381 4.550 0.014 0.000 0.291 117 Y C 2.022 177.931 175.900 0.016 0.000 1.137 117 Y CA 1.165 59.274 58.100 0.015 0.000 1.181 117 Y CB -0.100 38.373 38.460 0.022 0.000 0.989 117 Y HN -0.001 nan 8.280 nan 0.000 0.527 118 D N -0.116 120.403 120.400 0.199 0.000 2.104 118 D HA -0.168 4.481 4.640 0.015 0.000 0.194 118 D C 2.018 178.385 176.300 0.112 0.000 0.994 118 D CA 1.335 55.424 54.000 0.147 0.000 0.830 118 D CB -0.203 40.687 40.800 0.150 0.000 0.959 118 D HN 0.198 nan 8.370 nan 0.000 0.452 119 I N 0.996 121.621 120.570 0.092 0.000 2.500 119 I HA -0.118 4.060 4.170 0.015 0.000 0.252 119 I C 1.605 177.795 176.117 0.122 0.000 1.142 119 I CA 0.903 62.276 61.300 0.122 0.000 1.451 119 I CB -0.863 37.136 38.000 -0.001 0.000 1.093 119 I HN -0.089 nan 8.210 nan 0.000 0.430 120 D N 1.456 121.854 120.400 -0.003 0.000 2.097 120 D HA -0.084 4.565 4.640 0.015 0.000 0.197 120 D C 2.329 178.296 176.300 -0.554 0.000 0.984 120 D CA 1.592 55.390 54.000 -0.337 0.000 0.826 120 D CB -0.028 40.670 40.800 -0.170 0.000 0.973 120 D HN 0.243 nan 8.370 nan 0.000 0.460 121 A N 1.062 123.775 122.820 -0.178 0.000 1.948 121 A HA -0.161 4.167 4.320 0.015 0.000 0.220 121 A C 2.302 179.921 177.584 0.059 0.000 1.177 121 A CA 2.538 54.551 52.037 -0.041 0.000 0.636 121 A CB -0.773 18.298 19.000 0.119 0.000 0.815 121 A HN 0.254 nan 8.150 nan 0.000 0.449 122 A N -0.044 122.832 122.820 0.093 0.000 1.877 122 A HA -0.162 4.167 4.320 0.015 0.000 0.216 122 A C 2.185 179.913 177.584 0.240 0.000 1.186 122 A CA 1.596 53.753 52.037 0.200 0.000 0.620 122 A CB -1.100 18.095 19.000 0.324 0.000 0.822 122 A HN 1.068 nan 8.150 nan 0.000 0.443 123 W N -0.395 121.033 121.300 0.213 0.000 2.436 123 W HA -0.092 4.576 4.660 0.014 0.000 0.284 123 W C 1.451 178.069 176.519 0.164 0.000 1.225 123 W CA 0.972 58.415 57.345 0.164 0.000 1.271 123 W CB -0.657 28.876 29.460 0.122 0.000 1.114 123 W HN 0.358 nan 8.180 nan 0.000 0.559 124 Q N 0.738 120.332 119.800 -0.343 0.000 2.167 124 Q HA -0.161 4.188 4.340 0.015 0.000 0.202 124 Q C 2.510 178.547 176.000 0.062 0.000 0.970 124 Q CA 1.908 57.559 55.803 -0.254 0.000 0.855 124 Q CB -0.595 27.820 28.738 -0.538 0.000 0.911 124 Q HN 0.404 nan 8.270 nan 0.000 0.438 125 C N 0.391 119.764 119.300 0.121 0.000 2.440 125 C HA -0.059 4.409 4.460 0.015 0.000 0.278 125 C C 2.588 177.793 174.990 0.359 0.000 1.295 125 C CA 0.244 59.386 59.018 0.207 0.000 1.738 125 C CB -0.923 26.997 27.740 0.300 0.000 1.987 125 C HN 0.418 nan 8.230 nan 0.000 0.492 126 I N 0.479 121.266 120.570 0.361 0.000 2.315 126 I HA -0.146 4.033 4.170 0.015 0.000 0.248 126 I C 2.622 178.951 176.117 0.353 0.000 1.117 126 I CA 1.829 63.363 61.300 0.390 0.000 1.404 126 I CB -0.622 37.600 38.000 0.370 0.000 1.071 126 I HN 0.459 nan 8.210 nan 0.000 0.419 127 E N 0.430 120.835 120.200 0.342 0.000 2.072 127 E HA -0.275 4.083 4.350 0.015 0.000 0.191 127 E C 2.206 178.931 176.600 0.208 0.000 0.985 127 E CA 1.086 57.660 56.400 0.289 0.000 0.801 127 E CB -0.137 29.785 29.700 0.371 0.000 0.750 127 E HN 0.471 nan 8.360 nan 0.000 0.452 128 Y N -0.534 119.793 120.300 0.044 0.000 2.207 128 Y HA -0.279 4.278 4.550 0.011 0.000 0.287 128 Y C 1.465 177.252 175.900 -0.189 0.000 1.156 128 Y CA 1.776 59.803 58.100 -0.121 0.000 1.182 128 Y CB -0.102 38.192 38.460 -0.276 0.000 0.979 128 Y HN 0.147 nan 8.280 nan 0.000 0.521 129 Y N -0.844 119.549 120.300 0.155 0.000 2.420 129 Y HA 0.072 4.628 4.550 0.009 0.000 0.292 129 Y C 2.488 178.405 175.900 0.029 0.000 1.119 129 Y CA 0.573 58.709 58.100 0.061 0.000 1.229 129 Y CB -0.894 37.650 38.460 0.139 0.000 1.026 129 Y HN 0.205 nan 8.280 nan 0.000 0.554 130 A N 0.201 123.142 122.820 0.203 0.000 1.892 130 A HA -0.191 4.138 4.320 0.015 0.000 0.218 130 A C 2.604 180.217 177.584 0.047 0.000 1.188 130 A CA 2.036 54.159 52.037 0.144 0.000 0.631 130 A CB -1.474 17.625 19.000 0.166 0.000 0.822 130 A HN 0.456 nan 8.150 nan 0.000 0.447 131 G N -0.768 108.018 108.800 -0.023 0.000 2.422 131 G HA2 -0.078 3.891 3.960 0.015 0.000 0.218 131 G HA3 -0.078 3.891 3.960 0.015 0.000 0.218 131 G C 1.330 176.153 174.900 -0.128 0.000 1.146 131 G CA 1.159 46.207 45.100 -0.087 0.000 0.769 131 G HN 0.370 nan 8.290 nan 0.000 0.547 132 L N 1.123 122.239 121.223 -0.179 0.000 2.217 132 L HA 0.240 4.589 4.340 0.015 0.000 0.211 132 L C 3.153 180.013 176.870 -0.016 0.000 1.107 132 L CA 1.120 55.890 54.840 -0.116 0.000 0.783 132 L CB -0.652 41.334 42.059 -0.121 0.000 0.919 132 L HN 0.262 nan 8.230 nan 0.000 0.442 133 A N 0.759 123.589 122.820 0.017 0.000 1.884 133 A HA -0.178 4.151 4.320 0.015 0.000 0.219 133 A C -0.211 177.362 177.584 -0.018 0.000 1.197 133 A CA 2.138 54.182 52.037 0.012 0.000 0.637 133 A CB -1.973 17.036 19.000 0.015 0.000 0.827 133 A HN 0.347 nan 8.150 nan 0.000 0.450 134 P HA 0.055 nan 4.420 nan 0.000 0.242 134 P C 0.931 178.215 177.300 -0.026 0.000 1.197 134 P CA 1.087 64.168 63.100 -0.031 0.000 0.765 134 P CB 0.169 31.852 31.700 -0.029 0.000 0.936 135 T N -1.016 113.524 114.554 -0.023 0.000 3.037 135 T HA 0.130 4.489 4.350 0.015 0.000 0.252 135 T C 0.500 175.197 174.700 -0.005 0.000 1.073 135 T CA -0.137 61.952 62.100 -0.018 0.000 1.091 135 T CB -0.286 68.564 68.868 -0.031 0.000 0.935 135 T HN -0.139 nan 8.240 nan 0.000 0.488 136 L N 3.679 124.902 121.223 0.002 0.000 2.601 136 L HA 0.208 4.557 4.340 0.015 0.000 0.277 136 L C 0.655 177.533 176.870 0.013 0.000 1.219 136 L CA 0.494 55.342 54.840 0.015 0.000 0.915 136 L CB -0.592 41.476 42.059 0.016 0.000 1.160 136 L HN 0.324 nan 8.230 nan 0.000 0.494 137 S N 1.246 116.960 115.700 0.023 0.000 2.615 137 S HA 0.877 5.356 4.470 0.015 0.000 0.268 137 S C -0.356 174.270 174.600 0.043 0.000 1.146 137 S CA -0.358 57.860 58.200 0.030 0.000 0.818 137 S CB 1.171 64.385 63.200 0.022 0.000 1.111 137 S HN 0.754 nan 8.310 nan 0.000 0.465 138 G N -0.250 108.587 108.800 0.063 0.000 2.857 138 G HA2 0.675 4.644 3.960 0.015 0.000 0.217 138 G HA3 0.675 4.644 3.960 0.015 0.000 0.217 138 G C -1.118 173.838 174.900 0.093 0.000 1.357 138 G CA -0.780 44.367 45.100 0.079 0.000 1.033 138 G HN 0.788 nan 8.290 nan 0.000 0.571 139 Q N -1.198 118.674 119.800 0.119 0.000 2.378 139 Q HA 0.390 4.738 4.340 0.015 0.000 0.276 139 Q C -1.292 174.842 176.000 0.224 0.000 1.083 139 Q CA -0.805 55.078 55.803 0.133 0.000 0.856 139 Q CB 2.497 31.290 28.738 0.091 0.000 1.383 139 Q HN 0.603 nan 8.270 nan 0.000 0.458 140 H N 1.098 120.234 119.070 0.109 0.000 2.658 140 H HA 0.497 5.058 4.556 0.009 0.000 0.337 140 H C -1.662 173.737 175.328 0.118 0.000 1.009 140 H CA -0.488 55.650 56.048 0.149 0.000 1.231 140 H CB 0.550 30.364 29.762 0.088 0.000 1.508 140 H HN 0.556 nan 8.280 nan 0.000 0.517 141 I N 4.542 124.984 120.570 -0.214 0.000 2.498 141 I HA 0.155 4.334 4.170 0.015 0.000 0.290 141 I C -0.296 175.735 176.117 -0.142 0.000 1.032 141 I CA -0.699 60.540 61.300 -0.102 0.000 1.073 141 I CB 2.399 40.385 38.000 -0.023 0.000 1.251 141 I HN 0.457 nan 8.210 nan 0.000 0.426 142 Q N 5.912 125.689 119.800 -0.039 0.000 2.279 142 Q HA 0.578 4.927 4.340 0.015 0.000 0.256 142 Q C -1.065 174.952 176.000 0.029 0.000 0.937 142 Q CA -0.211 55.604 55.803 0.020 0.000 0.933 142 Q CB 1.607 30.380 28.738 0.057 0.000 1.189 142 Q HN 0.480 nan 8.270 nan 0.000 0.417 143 L N 3.270 124.521 121.223 0.047 0.000 2.313 143 L HA 0.572 4.921 4.340 0.015 0.000 0.268 143 L C -2.148 174.738 176.870 0.026 0.000 1.010 143 L CA -2.643 52.211 54.840 0.023 0.000 0.814 143 L CB 1.090 43.153 42.059 0.006 0.000 1.304 143 L HN 0.409 nan 8.230 nan 0.000 0.441 144 P HA 0.066 nan 4.420 nan 0.000 0.262 144 P C 0.420 177.730 177.300 0.016 0.000 1.182 144 P CA 0.526 63.633 63.100 0.011 0.000 0.761 144 P CB 0.386 32.088 31.700 0.002 0.000 0.795 145 G N 2.465 111.276 108.800 0.019 0.000 2.225 145 G HA2 -0.022 3.947 3.960 0.015 0.000 0.264 145 G HA3 -0.022 3.947 3.960 0.015 0.000 0.264 145 G C 0.901 175.821 174.900 0.034 0.000 1.060 145 G CA 0.397 45.509 45.100 0.020 0.000 0.833 145 G HN 1.063 nan 8.290 nan 0.000 0.498 146 G N -1.537 107.293 108.800 0.051 0.000 2.284 146 G HA2 0.128 4.097 3.960 0.015 0.000 0.247 146 G HA3 0.128 4.097 3.960 0.015 0.000 0.247 146 G C 1.228 176.202 174.900 0.123 0.000 1.012 146 G CA 1.280 46.428 45.100 0.080 0.000 0.618 146 G HN 2.354 nan 8.290 nan 0.000 0.521 147 A N 0.027 122.897 122.820 0.084 0.000 2.409 147 A HA 0.718 5.046 4.320 0.015 0.000 0.246 147 A C 0.044 177.725 177.584 0.162 0.000 1.099 147 A CA 1.068 53.148 52.037 0.071 0.000 0.789 147 A CB 0.092 19.086 19.000 -0.011 0.000 1.053 147 A HN 1.879 nan 8.150 nan 0.000 0.503 148 F N -2.416 117.521 119.950 -0.021 0.000 2.645 148 F HA 0.799 5.332 4.527 0.011 0.000 0.310 148 F C -0.298 175.454 175.800 -0.080 0.000 1.102 148 F CA -0.662 57.290 58.000 -0.081 0.000 0.952 148 F CB 1.160 40.100 39.000 -0.101 0.000 1.326 148 F HN 0.791 nan 8.300 nan 0.000 0.456 149 A N 1.703 124.495 122.820 -0.046 0.000 2.386 149 A HA 0.907 5.236 4.320 0.015 0.000 0.308 149 A C -1.970 175.667 177.584 0.088 0.000 1.128 149 A CA -0.757 51.210 52.037 -0.115 0.000 0.789 149 A CB 1.305 20.235 19.000 -0.117 0.000 1.325 149 A HN 1.385 nan 8.150 nan 0.000 0.437 150 Y N -1.448 118.856 120.300 0.007 0.000 2.544 150 Y HA 0.732 5.288 4.550 0.009 0.000 0.342 150 Y C -0.232 175.693 175.900 0.042 0.000 1.062 150 Y CA -0.668 57.482 58.100 0.085 0.000 1.023 150 Y CB 1.045 39.627 38.460 0.203 0.000 1.308 150 Y HN 0.738 nan 8.280 nan 0.000 0.457 151 T N 0.444 115.114 114.554 0.193 0.000 2.859 151 T HA 0.694 5.053 4.350 0.015 0.000 0.281 151 T C -0.632 174.181 174.700 0.189 0.000 1.005 151 T CA -1.107 61.050 62.100 0.095 0.000 1.025 151 T CB 1.456 70.354 68.868 0.049 0.000 0.977 151 T HN 0.804 nan 8.240 nan 0.000 0.458 152 R N 1.379 121.965 120.500 0.143 0.000 2.346 152 R HA 0.453 4.802 4.340 0.015 0.000 0.311 152 R C 0.012 176.361 176.300 0.080 0.000 0.983 152 R CA -0.866 55.321 56.100 0.145 0.000 0.880 152 R CB 1.671 32.061 30.300 0.150 0.000 1.100 152 R HN 0.607 nan 8.270 nan 0.000 0.453 153 R N 2.659 123.199 120.500 0.067 0.000 2.234 153 R HA 0.101 4.449 4.340 0.015 0.000 0.324 153 R C -0.672 175.656 176.300 0.047 0.000 1.054 153 R CA 0.086 56.215 56.100 0.048 0.000 0.912 153 R CB 0.676 31.000 30.300 0.041 0.000 1.030 153 R HN 0.622 nan 8.270 nan 0.000 0.455 154 E N 5.195 125.424 120.200 0.049 0.000 2.277 154 E HA 0.391 4.750 4.350 0.015 0.000 0.266 154 E C -2.433 174.210 176.600 0.072 0.000 0.901 154 E CA -2.447 53.989 56.400 0.060 0.000 0.782 154 E CB 2.146 31.884 29.700 0.064 0.000 1.228 154 E HN 0.493 nan 8.360 nan 0.000 0.424 155 P HA 0.004 nan 4.420 nan 0.000 0.273 155 P C 0.176 177.532 177.300 0.093 0.000 1.250 155 P CA -0.286 62.905 63.100 0.150 0.000 0.793 155 P CB 0.766 32.650 31.700 0.306 0.000 1.011 156 L N -0.193 121.039 121.223 0.015 0.000 2.130 156 L HA 0.310 4.659 4.340 0.015 0.000 0.200 156 L C 1.737 178.492 176.870 -0.191 0.000 1.075 156 L CA 2.216 56.994 54.840 -0.103 0.000 0.768 156 L CB -1.606 40.346 42.059 -0.177 0.000 0.933 156 L HN 0.811 nan 8.230 nan 0.000 0.451 157 G N -1.698 106.879 108.800 -0.371 0.000 2.272 157 G HA2 -0.018 3.951 3.960 0.015 0.000 0.068 157 G HA3 -0.018 3.951 3.960 0.015 0.000 0.068 157 G C -1.262 173.272 174.900 -0.609 0.000 1.073 157 G CA -0.221 44.340 45.100 -0.899 0.000 1.154 157 G HN -0.151 nan 8.290 nan 0.000 0.429 158 V N 1.234 120.940 119.914 -0.347 0.000 2.364 158 V HA 0.480 4.609 4.120 0.015 0.000 0.272 158 V C 0.237 176.289 176.094 -0.071 0.000 1.036 158 V CA -0.449 61.752 62.300 -0.164 0.000 0.880 158 V CB 0.519 32.270 31.823 -0.121 0.000 0.991 158 V HN 0.791 nan 8.190 nan 0.000 0.460 159 C N 4.685 123.984 119.300 -0.002 0.000 2.358 159 C HA 0.842 5.310 4.460 0.015 0.000 0.342 159 C C 0.749 175.794 174.990 0.092 0.000 1.234 159 C CA -0.751 58.311 59.018 0.073 0.000 1.969 159 C CB 0.671 28.527 27.740 0.193 0.000 2.346 159 C HN 0.960 nan 8.230 nan 0.000 0.525 160 A N 2.045 124.925 122.820 0.100 0.000 2.317 160 A HA 0.831 5.160 4.320 0.015 0.000 0.327 160 A C 0.071 177.751 177.584 0.161 0.000 1.178 160 A CA -0.196 51.911 52.037 0.116 0.000 0.817 160 A CB 0.697 19.746 19.000 0.083 0.000 1.189 160 A HN 1.171 nan 8.150 nan 0.000 0.489 161 G N 0.697 109.617 108.800 0.200 0.000 2.452 161 G HA2 0.592 4.561 3.960 0.015 0.000 0.324 161 G HA3 0.592 4.561 3.960 0.015 0.000 0.324 161 G C -1.005 174.013 174.900 0.196 0.000 1.214 161 G CA -0.446 44.766 45.100 0.188 0.000 0.947 161 G HN 0.640 nan 8.290 nan 0.000 0.478 162 I N 2.043 122.709 120.570 0.161 0.000 2.418 162 I HA 0.373 4.552 4.170 0.015 0.000 0.287 162 I C -0.214 175.904 176.117 0.002 0.000 1.008 162 I CA -0.471 60.922 61.300 0.156 0.000 1.104 162 I CB 1.706 39.881 38.000 0.291 0.000 1.264 162 I HN 0.161 nan 8.210 nan 0.000 0.438 163 L N 5.006 126.242 121.223 0.022 0.000 2.304 163 L HA 0.912 5.261 4.340 0.015 0.000 0.268 163 L C 0.154 176.978 176.870 -0.078 0.000 1.010 163 L CA -0.861 53.946 54.840 -0.054 0.000 0.813 163 L CB 1.442 43.501 42.059 0.000 0.000 1.315 163 L HN 0.571 nan 8.230 nan 0.000 0.445 164 A N 0.014 122.756 122.820 -0.129 0.000 2.282 164 A HA 0.478 4.807 4.320 0.015 0.000 0.324 164 A C 0.069 177.614 177.584 -0.064 0.000 1.119 164 A CA -0.674 51.251 52.037 -0.186 0.000 0.880 164 A CB 0.754 19.535 19.000 -0.365 0.000 1.294 164 A HN 0.962 nan 8.150 nan 0.000 0.493 165 W N 0.549 121.892 121.300 0.072 0.000 3.278 165 W HA 0.062 4.732 4.660 0.017 0.000 0.308 165 W C 0.590 177.154 176.519 0.075 0.000 1.253 165 W CA 0.539 57.931 57.345 0.079 0.000 1.759 165 W CB -0.461 29.050 29.460 0.085 0.000 1.093 165 W HN 0.832 nan 8.180 nan 0.000 0.648 166 N N 1.109 119.689 118.700 -0.200 0.000 2.416 166 N HA -0.153 4.596 4.740 0.015 0.000 0.177 166 N C -0.493 174.910 175.510 -0.179 0.000 1.036 166 N CA 0.673 53.650 53.050 -0.122 0.000 0.901 166 N CB -0.918 37.379 38.487 -0.316 0.000 0.976 166 N HN 0.144 nan 8.380 nan 0.000 0.444 167 Y N -0.446 119.798 120.300 -0.093 0.000 2.513 167 Y HA 0.416 4.976 4.550 0.017 0.000 0.341 167 Y C -1.920 173.925 175.900 -0.092 0.000 1.075 167 Y CA -1.918 56.114 58.100 -0.113 0.000 1.190 167 Y CB 1.953 40.263 38.460 -0.249 0.000 1.111 167 Y HN -0.079 nan 8.280 nan 0.000 0.644 168 P HA -0.203 nan 4.420 nan 0.000 0.213 168 P C 1.721 179.074 177.300 0.089 0.000 1.170 168 P CA 1.471 64.634 63.100 0.105 0.000 0.898 168 P CB 0.199 31.991 31.700 0.153 0.000 0.787 169 F N -1.047 118.892 119.950 -0.018 0.000 2.163 169 F HA -0.022 4.514 4.527 0.015 0.000 0.297 169 F C 2.421 178.166 175.800 -0.092 0.000 1.094 169 F CA 1.224 59.207 58.000 -0.029 0.000 1.290 169 F CB -0.517 38.482 39.000 -0.001 0.000 1.017 169 F HN -0.251 nan 8.300 nan 0.000 0.483 170 M N -0.184 119.423 119.600 0.011 0.000 2.099 170 M HA -0.185 4.304 4.480 0.015 0.000 0.262 170 M C 2.291 178.270 176.300 -0.534 0.000 1.067 170 M CA 1.689 56.830 55.300 -0.264 0.000 1.124 170 M CB -0.454 31.948 32.600 -0.330 0.000 1.353 170 M HN 0.318 nan 8.290 nan 0.000 0.410 171 I N 0.361 120.686 120.570 -0.409 0.000 2.394 171 I HA -0.216 3.963 4.170 0.015 0.000 0.251 171 I C 2.232 178.201 176.117 -0.247 0.000 1.136 171 I CA 1.362 62.474 61.300 -0.314 0.000 1.425 171 I CB -0.351 37.530 38.000 -0.199 0.000 1.079 171 I HN 0.365 nan 8.210 nan 0.000 0.425 172 A N 0.909 123.516 122.820 -0.355 0.000 1.877 172 A HA -0.188 4.141 4.320 0.015 0.000 0.216 172 A C 2.495 179.826 177.584 -0.421 0.000 1.186 172 A CA 1.876 53.548 52.037 -0.609 0.000 0.620 172 A CB -0.888 17.612 19.000 -0.834 0.000 0.822 172 A HN 0.536 nan 8.150 nan 0.000 0.443 173 A N -1.570 121.071 122.820 -0.298 0.000 1.898 173 A HA -0.104 4.225 4.320 0.015 0.000 0.216 173 A C 1.888 179.569 177.584 0.162 0.000 1.181 173 A CA 1.421 53.413 52.037 -0.075 0.000 0.620 173 A CB -0.867 18.090 19.000 -0.071 0.000 0.819 173 A HN 0.701 nan 8.150 nan 0.000 0.442 174 W N 0.576 121.828 121.300 -0.080 0.000 2.387 174 W HA -0.061 4.613 4.660 0.023 0.000 0.272 174 W C 2.012 178.485 176.519 -0.078 0.000 1.224 174 W CA 1.294 58.621 57.345 -0.031 0.000 1.210 174 W CB -0.287 29.164 29.460 -0.015 0.000 1.125 174 W HN 0.395 nan 8.180 nan 0.000 0.572 175 K N -1.666 118.783 120.400 0.081 0.000 2.242 175 K HA -0.002 4.327 4.320 0.015 0.000 0.200 175 K C 1.930 178.428 176.600 -0.170 0.000 1.050 175 K CA 1.004 57.279 56.287 -0.019 0.000 0.981 175 K CB -0.480 32.038 32.500 0.030 0.000 0.795 175 K HN -0.015 nan 8.250 nan 0.000 0.477 176 C N 1.175 120.398 119.300 -0.128 0.000 2.440 176 C HA -0.017 4.452 4.460 0.015 0.000 0.278 176 C C 2.851 177.732 174.990 -0.181 0.000 1.295 176 C CA 0.896 59.828 59.018 -0.143 0.000 1.738 176 C CB -0.718 26.998 27.740 -0.039 0.000 1.987 176 C HN 0.521 nan 8.230 nan 0.000 0.492 177 A N 2.173 124.949 122.820 -0.074 0.000 1.841 177 A HA -0.070 4.259 4.320 0.015 0.000 0.214 177 A C 0.470 177.894 177.584 -0.267 0.000 1.195 177 A CA 1.952 53.993 52.037 0.008 0.000 0.611 177 A CB -1.897 17.259 19.000 0.260 0.000 0.835 177 A HN 0.480 nan 8.150 nan 0.000 0.443 178 P HA -0.133 nan 4.420 nan 0.000 0.217 178 P C 1.577 178.471 177.300 -0.676 0.000 1.150 178 P CA 2.007 64.519 63.100 -0.980 0.000 0.832 178 P CB -0.187 30.855 31.700 -1.096 0.000 0.787 179 A N -0.285 122.018 122.820 -0.861 0.000 1.877 179 A HA -0.152 4.177 4.320 0.015 0.000 0.216 179 A C 2.240 179.761 177.584 -0.105 0.000 1.186 179 A CA 1.531 53.257 52.037 -0.518 0.000 0.620 179 A CB -1.570 17.181 19.000 -0.415 0.000 0.822 179 A HN 0.092 nan 8.150 nan 0.000 0.443 180 L N -0.537 120.631 121.223 -0.091 0.000 2.072 180 L HA -0.023 4.326 4.340 0.015 0.000 0.205 180 L C 2.964 180.049 176.870 0.360 0.000 1.079 180 L CA 1.787 56.722 54.840 0.159 0.000 0.752 180 L CB -0.854 41.151 42.059 -0.089 0.000 0.906 180 L HN 0.382 nan 8.230 nan 0.000 0.436 181 A N -1.762 121.153 122.820 0.158 0.000 1.933 181 A HA -0.234 4.095 4.320 0.015 0.000 0.218 181 A C 2.290 179.927 177.584 0.089 0.000 1.175 181 A CA 1.788 53.916 52.037 0.151 0.000 0.628 181 A CB -1.286 17.810 19.000 0.160 0.000 0.814 181 A HN 0.537 nan 8.150 nan 0.000 0.444 182 C N -1.243 118.105 119.300 0.080 0.000 2.511 182 C HA 0.373 4.842 4.460 0.015 0.000 0.277 182 C C 1.954 177.006 174.990 0.104 0.000 1.451 182 C CA 0.546 59.615 59.018 0.086 0.000 1.735 182 C CB -1.295 26.514 27.740 0.115 0.000 1.704 182 C HN 1.104 nan 8.230 nan 0.000 0.571 183 G N 0.952 109.850 108.800 0.164 0.000 2.134 183 G HA2 -0.178 3.791 3.960 0.015 0.000 0.209 183 G HA3 -0.178 3.791 3.960 0.015 0.000 0.209 183 G C -0.223 174.965 174.900 0.480 0.000 0.993 183 G CA -0.275 44.928 45.100 0.171 0.000 0.669 183 G HN 0.525 nan 8.290 nan 0.000 0.519 184 N N 0.245 119.194 118.700 0.416 0.000 2.447 184 N HA 0.694 5.442 4.740 0.015 0.000 0.271 184 N C 0.364 176.033 175.510 0.264 0.000 1.226 184 N CA 0.328 53.575 53.050 0.328 0.000 0.980 184 N CB 1.500 40.077 38.487 0.151 0.000 1.206 184 N HN 0.581 nan 8.380 nan 0.000 0.558 185 A N 0.200 123.103 122.820 0.137 0.000 2.281 185 A HA 0.695 5.023 4.320 0.015 0.000 0.329 185 A C -0.528 177.051 177.584 -0.008 0.000 1.122 185 A CA -0.509 51.545 52.037 0.029 0.000 0.850 185 A CB 0.925 19.969 19.000 0.074 0.000 1.207 185 A HN 0.356 nan 8.150 nan 0.000 0.495 186 V N 0.549 120.453 119.914 -0.016 0.000 2.841 186 V HA 0.518 4.647 4.120 0.015 0.000 0.310 186 V C -0.889 175.252 176.094 0.078 0.000 1.090 186 V CA -0.491 61.837 62.300 0.048 0.000 0.930 186 V CB 1.966 33.835 31.823 0.076 0.000 1.014 186 V HN 0.675 nan 8.190 nan 0.000 0.425 187 V N 5.263 125.231 119.914 0.090 0.000 2.407 187 V HA 0.612 4.741 4.120 0.015 0.000 0.291 187 V C -0.643 175.545 176.094 0.157 0.000 1.018 187 V CA -0.491 61.844 62.300 0.058 0.000 0.842 187 V CB 1.224 33.038 31.823 -0.016 0.000 0.996 187 V HN 0.780 nan 8.190 nan 0.000 0.426 188 F N 2.134 122.133 119.950 0.081 0.000 2.598 188 F HA 0.815 5.351 4.527 0.015 0.000 0.327 188 F C -0.479 175.379 175.800 0.096 0.000 1.057 188 F CA -1.376 56.672 58.000 0.080 0.000 0.957 188 F CB 1.928 40.971 39.000 0.071 0.000 1.278 188 F HN 0.323 nan 8.300 nan 0.000 0.484 189 K N 2.970 123.574 120.400 0.340 0.000 2.559 189 K HA 0.495 4.824 4.320 0.015 0.000 0.249 189 K C -3.016 173.753 176.600 0.281 0.000 0.958 189 K CA -2.012 54.414 56.287 0.231 0.000 0.901 189 K CB 1.581 34.184 32.500 0.171 0.000 1.124 189 K HN 0.356 nan 8.250 nan 0.000 0.437 190 P HA -0.049 nan 4.420 nan 0.000 0.269 190 P C -0.521 176.899 177.300 0.201 0.000 1.215 190 P CA -0.221 63.035 63.100 0.260 0.000 0.780 190 P CB 0.887 32.741 31.700 0.256 0.000 0.898 191 S N 3.115 118.935 115.700 0.200 0.000 2.561 191 S HA 0.009 4.488 4.470 0.015 0.000 0.294 191 S C -1.160 173.554 174.600 0.190 0.000 1.294 191 S CA -0.758 57.578 58.200 0.227 0.000 1.055 191 S CB -0.411 62.998 63.200 0.349 0.000 0.819 191 S HN 0.332 nan 8.310 nan 0.000 0.503 192 P HA -0.044 nan 4.420 nan 0.000 0.234 192 P C 1.011 178.366 177.300 0.092 0.000 1.167 192 P CA 1.040 64.208 63.100 0.113 0.000 0.763 192 P CB 0.040 31.798 31.700 0.097 0.000 0.835 193 M N -0.687 118.976 119.600 0.105 0.000 2.476 193 M HA 0.035 4.524 4.480 0.015 0.000 0.262 193 M C 0.459 176.819 176.300 0.101 0.000 1.111 193 M CA 1.253 56.595 55.300 0.070 0.000 1.127 193 M CB -0.166 32.415 32.600 -0.030 0.000 1.376 193 M HN -0.033 nan 8.290 nan 0.000 0.465 194 T N -2.237 112.408 114.554 0.152 0.000 3.504 194 T HA 0.326 4.685 4.350 0.015 0.000 0.286 194 T C -2.379 172.413 174.700 0.153 0.000 1.530 194 T CA -1.252 60.942 62.100 0.156 0.000 1.652 194 T CB 0.611 69.605 68.868 0.210 0.000 0.895 194 T HN 0.010 nan 8.240 nan 0.000 0.674 195 P HA 0.111 nan 4.420 nan 0.000 0.245 195 P C 1.432 178.802 177.300 0.116 0.000 1.203 195 P CA 0.051 63.224 63.100 0.121 0.000 0.792 195 P CB 0.443 32.194 31.700 0.086 0.000 0.997 196 V N 0.141 120.116 119.914 0.102 0.000 2.685 196 V HA -0.046 4.083 4.120 0.015 0.000 0.244 196 V C 2.241 178.402 176.094 0.112 0.000 1.054 196 V CA 2.312 64.661 62.300 0.082 0.000 1.076 196 V CB -1.440 30.412 31.823 0.049 0.000 0.725 196 V HN 0.156 nan 8.190 nan 0.000 0.467 197 T N -2.199 112.446 114.554 0.152 0.000 2.995 197 T HA 0.080 4.439 4.350 0.015 0.000 0.269 197 T C 2.031 176.934 174.700 0.339 0.000 1.091 197 T CA 1.139 63.375 62.100 0.226 0.000 1.128 197 T CB -0.803 68.205 68.868 0.234 0.000 0.891 197 T HN 0.648 nan 8.240 nan 0.000 0.492 198 G N 1.451 110.426 108.800 0.292 0.000 2.469 198 G HA2 -0.213 3.756 3.960 0.015 0.000 0.219 198 G HA3 -0.213 3.756 3.960 0.015 0.000 0.219 198 G C 1.618 176.697 174.900 0.297 0.000 1.150 198 G CA 1.086 46.413 45.100 0.378 0.000 0.763 198 G HN 0.583 nan 8.290 nan 0.000 0.561 199 V N 0.744 120.726 119.914 0.113 0.000 3.041 199 V HA 0.035 4.164 4.120 0.015 0.000 0.260 199 V C 2.442 178.470 176.094 -0.110 0.000 1.105 199 V CA 0.698 62.941 62.300 -0.095 0.000 1.125 199 V CB -0.322 31.409 31.823 -0.153 0.000 0.730 199 V HN 0.283 nan 8.190 nan 0.000 0.479 200 I N -0.120 120.483 120.570 0.056 0.000 2.202 200 I HA -0.153 4.025 4.170 0.015 0.000 0.242 200 I C 2.461 178.662 176.117 0.139 0.000 1.091 200 I CA 1.655 63.008 61.300 0.088 0.000 1.368 200 I CB -1.230 36.859 38.000 0.148 0.000 1.058 200 I HN 0.420 nan 8.210 nan 0.000 0.410 201 L N 1.715 123.083 121.223 0.243 0.000 2.013 201 L HA -0.193 4.156 4.340 0.015 0.000 0.212 201 L C 2.603 179.545 176.870 0.120 0.000 1.073 201 L CA 2.366 57.258 54.840 0.085 0.000 0.753 201 L CB -0.904 41.081 42.059 -0.122 0.000 0.890 201 L HN 0.213 nan 8.230 nan 0.000 0.432 202 A N -1.150 121.770 122.820 0.166 0.000 1.933 202 A HA -0.216 4.113 4.320 0.015 0.000 0.218 202 A C 2.161 179.819 177.584 0.123 0.000 1.175 202 A CA 1.755 53.904 52.037 0.187 0.000 0.628 202 A CB -0.597 18.398 19.000 -0.008 0.000 0.814 202 A HN 0.636 nan 8.150 nan 0.000 0.444 203 E N -0.512 119.610 120.200 -0.129 0.000 2.150 203 E HA -0.094 4.265 4.350 0.015 0.000 0.193 203 E C 1.766 178.440 176.600 0.123 0.000 0.985 203 E CA 0.961 57.356 56.400 -0.009 0.000 0.814 203 E CB -0.217 29.425 29.700 -0.096 0.000 0.752 203 E HN 0.697 nan 8.360 nan 0.000 0.466 204 I N 0.261 120.862 120.570 0.051 0.000 2.394 204 I HA -0.224 3.955 4.170 0.015 0.000 0.251 204 I C 1.717 177.828 176.117 -0.009 0.000 1.136 204 I CA 0.741 62.038 61.300 -0.006 0.000 1.425 204 I CB -0.062 37.894 38.000 -0.073 0.000 1.079 204 I HN 0.044 nan 8.210 nan 0.000 0.425 205 F N 0.335 120.342 119.950 0.094 0.000 2.134 205 F HA -0.230 4.305 4.527 0.014 0.000 0.299 205 F C 2.649 178.428 175.800 -0.036 0.000 1.097 205 F CA 1.455 59.460 58.000 0.007 0.000 1.264 205 F CB -0.825 38.135 39.000 -0.067 0.000 1.001 205 F HN 0.156 nan 8.300 nan 0.000 0.479 206 H N -0.409 118.797 119.070 0.227 0.000 2.353 206 H HA -0.123 4.442 4.556 0.016 0.000 0.300 206 H C 2.155 177.554 175.328 0.118 0.000 1.090 206 H CA 1.596 57.741 56.048 0.160 0.000 1.327 206 H CB -0.290 29.585 29.762 0.189 0.000 1.383 206 H HN 0.377 nan 8.280 nan 0.000 0.508 207 E N 0.504 120.836 120.200 0.220 0.000 2.085 207 E HA -0.141 4.217 4.350 0.015 0.000 0.194 207 E C 2.311 178.974 176.600 0.105 0.000 0.994 207 E CA 0.812 57.290 56.400 0.131 0.000 0.801 207 E CB 0.012 29.763 29.700 0.086 0.000 0.743 207 E HN 0.386 nan 8.360 nan 0.000 0.453 208 A N -0.300 122.584 122.820 0.107 0.000 2.121 208 A HA 0.041 4.369 4.320 0.015 0.000 0.218 208 A C 1.712 179.369 177.584 0.121 0.000 1.154 208 A CA 1.404 53.505 52.037 0.107 0.000 0.679 208 A CB -0.062 19.015 19.000 0.128 0.000 0.795 208 A HN 0.410 nan 8.150 nan 0.000 0.458 209 G N -2.456 106.412 108.800 0.113 0.000 2.173 209 G HA2 -0.058 3.911 3.960 0.015 0.000 0.142 209 G HA3 -0.058 3.911 3.960 0.015 0.000 0.142 209 G C 0.092 175.042 174.900 0.083 0.000 1.019 209 G CA -0.063 45.102 45.100 0.108 0.000 0.699 209 G HN 0.596 nan 8.290 nan 0.000 0.495 210 V N 2.038 121.938 119.914 -0.024 0.000 2.740 210 V HA 0.351 4.480 4.120 0.015 0.000 0.303 210 V C -1.279 174.727 176.094 -0.147 0.000 1.054 210 V CA -0.734 61.434 62.300 -0.219 0.000 1.106 210 V CB 1.096 32.645 31.823 -0.456 0.000 0.957 210 V HN 0.187 nan 8.190 nan 0.000 0.486 211 P HA -0.002 nan 4.420 nan 0.000 0.262 211 P C -0.543 176.746 177.300 -0.018 0.000 1.182 211 P CA 0.045 63.153 63.100 0.015 0.000 0.761 211 P CB 0.108 31.857 31.700 0.081 0.000 0.795 212 V N 3.600 123.569 119.914 0.091 0.000 2.539 212 V HA 0.171 4.300 4.120 0.015 0.000 0.300 212 V C 1.724 177.936 176.094 0.196 0.000 1.019 212 V CA 1.908 64.337 62.300 0.215 0.000 1.160 212 V CB -0.629 31.290 31.823 0.161 0.000 0.901 212 V HN 1.061 nan 8.190 nan 0.000 0.481 213 G N 3.613 112.631 108.800 0.364 0.000 2.179 213 G HA2 -0.235 3.734 3.960 0.015 0.000 0.220 213 G HA3 -0.235 3.734 3.960 0.015 0.000 0.220 213 G C 0.451 175.426 174.900 0.125 0.000 0.990 213 G CA 0.252 45.480 45.100 0.212 0.000 0.646 213 G HN 0.714 nan 8.290 nan 0.000 0.517 214 L N 0.581 121.792 121.223 -0.019 0.000 2.083 214 L HA 0.291 4.640 4.340 0.015 0.000 0.209 214 L C 1.187 177.992 176.870 -0.110 0.000 1.083 214 L CA 1.950 56.691 54.840 -0.165 0.000 0.752 214 L CB 0.104 41.884 42.059 -0.465 0.000 0.899 214 L HN 0.245 nan 8.230 nan 0.000 0.433 215 V N 1.432 121.355 119.914 0.015 0.000 2.378 215 V HA 0.391 4.520 4.120 0.015 0.000 0.288 215 V C -0.557 175.709 176.094 0.287 0.000 1.016 215 V CA -0.880 61.494 62.300 0.123 0.000 0.840 215 V CB 1.274 33.177 31.823 0.134 0.000 0.994 215 V HN 0.233 nan 8.190 nan 0.000 0.431 216 N N 3.017 121.812 118.700 0.159 0.000 2.292 216 N HA 0.752 5.501 4.740 0.015 0.000 0.303 216 N C -1.402 174.056 175.510 -0.087 0.000 1.140 216 N CA -0.499 52.651 53.050 0.167 0.000 0.788 216 N CB 3.005 41.579 38.487 0.146 0.000 1.361 216 N HN 0.344 nan 8.380 nan 0.000 0.489 217 V N 1.112 121.035 119.914 0.015 0.000 2.577 217 V HA 0.399 4.528 4.120 0.015 0.000 0.303 217 V C -0.294 175.853 176.094 0.088 0.000 1.042 217 V CA -0.864 61.303 62.300 -0.222 0.000 0.872 217 V CB 1.768 33.417 31.823 -0.290 0.000 0.998 217 V HN 0.522 nan 8.190 nan 0.000 0.423 218 V N 1.995 121.941 119.914 0.052 0.000 2.487 218 V HA 0.695 4.824 4.120 0.015 0.000 0.298 218 V C -0.556 175.608 176.094 0.117 0.000 1.028 218 V CA -0.608 61.787 62.300 0.158 0.000 0.860 218 V CB 1.780 33.657 31.823 0.091 0.000 0.991 218 V HN 0.764 nan 8.190 nan 0.000 0.427 219 Q N 2.482 122.364 119.800 0.137 0.000 2.205 219 Q HA 0.903 5.252 4.340 0.015 0.000 0.249 219 Q C 0.318 176.383 176.000 0.109 0.000 0.948 219 Q CA 0.185 56.058 55.803 0.116 0.000 0.895 219 Q CB 2.048 30.846 28.738 0.101 0.000 1.249 219 Q HN 1.464 nan 8.270 nan 0.000 0.458 220 G N -1.021 107.841 108.800 0.104 0.000 2.359 220 G HA2 0.372 4.341 3.960 0.015 0.000 0.293 220 G HA3 0.372 4.341 3.960 0.015 0.000 0.293 220 G C -0.713 174.247 174.900 0.100 0.000 1.300 220 G CA -0.320 44.836 45.100 0.093 0.000 0.888 220 G HN 0.689 nan 8.290 nan 0.000 0.541 221 G N -1.192 107.663 108.800 0.093 0.000 3.134 221 G HA2 0.694 4.663 3.960 0.015 0.000 0.158 221 G HA3 0.694 4.663 3.960 0.015 0.000 0.158 221 G C 1.641 176.601 174.900 0.101 0.000 1.334 221 G CA 1.194 46.355 45.100 0.102 0.000 1.001 221 G HN 1.776 nan 8.290 nan 0.000 0.600 222 A N -0.298 122.578 122.820 0.094 0.000 1.908 222 A HA -0.080 4.249 4.320 0.015 0.000 0.218 222 A C 2.144 179.771 177.584 0.072 0.000 1.181 222 A CA 2.497 54.585 52.037 0.085 0.000 0.627 222 A CB -0.750 18.293 19.000 0.072 0.000 0.818 222 A HN 0.728 nan 8.150 nan 0.000 0.445 223 E N -0.488 119.754 120.200 0.069 0.000 2.051 223 E HA -0.163 4.196 4.350 0.015 0.000 0.192 223 E C 1.860 178.504 176.600 0.072 0.000 0.991 223 E CA 2.050 58.491 56.400 0.069 0.000 0.799 223 E CB -0.588 29.149 29.700 0.061 0.000 0.748 223 E HN 0.460 nan 8.360 nan 0.000 0.449 224 T N -0.268 114.330 114.554 0.074 0.000 2.759 224 T HA -0.114 4.245 4.350 0.015 0.000 0.269 224 T C 1.730 176.475 174.700 0.074 0.000 1.042 224 T CA 1.283 63.427 62.100 0.073 0.000 1.140 224 T CB -0.684 68.232 68.868 0.079 0.000 0.864 224 T HN 0.465 nan 8.240 nan 0.000 0.455 225 G N 0.891 109.741 108.800 0.083 0.000 2.408 225 G HA2 -0.151 3.818 3.960 0.015 0.000 0.217 225 G HA3 -0.151 3.818 3.960 0.015 0.000 0.217 225 G C 1.873 176.792 174.900 0.033 0.000 1.150 225 G CA 0.919 46.068 45.100 0.083 0.000 0.776 225 G HN 0.499 nan 8.290 nan 0.000 0.542 226 S N 0.720 116.434 115.700 0.023 0.000 2.368 226 S HA -0.056 4.423 4.470 0.015 0.000 0.225 226 S C 2.294 176.909 174.600 0.026 0.000 1.030 226 S CA 0.915 59.101 58.200 -0.023 0.000 0.999 226 S CB -0.293 62.943 63.200 0.061 0.000 0.844 226 S HN 0.295 nan 8.310 nan 0.000 0.459 227 L N 1.096 122.378 121.223 0.097 0.000 2.042 227 L HA -0.150 4.199 4.340 0.015 0.000 0.210 227 L C 2.288 179.231 176.870 0.122 0.000 1.076 227 L CA 1.115 56.035 54.840 0.134 0.000 0.749 227 L CB -0.625 41.495 42.059 0.103 0.000 0.893 227 L HN 0.277 nan 8.230 nan 0.000 0.432 228 L N -1.387 119.877 121.223 0.068 0.000 2.017 228 L HA -0.278 4.071 4.340 0.015 0.000 0.208 228 L C 2.676 179.575 176.870 0.047 0.000 1.073 228 L CA 1.271 56.146 54.840 0.058 0.000 0.745 228 L CB -0.611 41.475 42.059 0.046 0.000 0.894 228 L HN 0.399 nan 8.230 nan 0.000 0.432 229 C N -1.155 118.122 119.300 -0.039 0.000 2.422 229 C HA -0.157 4.312 4.460 0.015 0.000 0.279 229 C C 2.608 177.519 174.990 -0.132 0.000 1.305 229 C CA 0.404 59.346 59.018 -0.126 0.000 1.757 229 C CB -1.201 26.377 27.740 -0.269 0.000 1.962 229 C HN 0.499 nan 8.230 nan 0.000 0.499 230 H N -1.806 117.294 119.070 0.049 0.000 2.563 230 H HA 0.086 4.651 4.556 0.015 0.000 0.264 230 H C 0.634 175.981 175.328 0.032 0.000 0.957 230 H CA 0.351 56.415 56.048 0.027 0.000 1.173 230 H CB -0.565 29.202 29.762 0.008 0.000 1.420 230 H HN 0.599 nan 8.280 nan 0.000 0.551 231 H N 3.390 122.514 119.070 0.091 0.000 2.929 231 H HA 0.006 4.571 4.556 0.014 0.000 0.317 231 H C -1.243 174.106 175.328 0.036 0.000 1.031 231 H CA -1.340 54.737 56.048 0.048 0.000 1.466 231 H CB 1.254 31.024 29.762 0.014 0.000 1.482 231 H HN 0.038 nan 8.280 nan 0.000 0.561 232 P HA -0.090 nan 4.420 nan 0.000 0.226 232 P C -0.302 177.052 177.300 0.089 0.000 1.153 232 P CA 1.169 64.249 63.100 -0.034 0.000 0.777 232 P CB 0.360 31.989 31.700 -0.118 0.000 0.794 233 N N -1.103 117.778 118.700 0.302 0.000 2.234 233 N HA 0.132 4.881 4.740 0.015 0.000 0.227 233 N C -0.597 174.997 175.510 0.140 0.000 1.151 233 N CA -0.236 52.948 53.050 0.223 0.000 0.865 233 N CB 0.675 39.300 38.487 0.230 0.000 1.066 233 N HN -0.109 nan 8.380 nan 0.000 0.515 234 V N 1.205 121.211 119.914 0.154 0.000 2.407 234 V HA 0.376 4.505 4.120 0.015 0.000 0.278 234 V C 0.892 177.010 176.094 0.040 0.000 1.037 234 V CA -0.247 62.081 62.300 0.047 0.000 0.900 234 V CB 1.244 33.098 31.823 0.052 0.000 0.983 234 V HN 0.259 nan 8.190 nan 0.000 0.459 235 A N 4.951 127.768 122.820 -0.004 0.000 2.081 235 A HA 0.228 4.556 4.320 0.015 0.000 0.214 235 A C 0.885 178.495 177.584 0.044 0.000 1.158 235 A CA 0.646 52.687 52.037 0.006 0.000 0.724 235 A CB 0.162 19.119 19.000 -0.072 0.000 0.826 235 A HN 0.666 nan 8.150 nan 0.000 0.463 236 K N -0.730 119.691 120.400 0.035 0.000 2.546 236 K HA 0.550 4.879 4.320 0.015 0.000 0.264 236 K C -2.141 174.500 176.600 0.068 0.000 0.937 236 K CA -0.468 55.858 56.287 0.064 0.000 0.833 236 K CB 2.204 34.699 32.500 -0.008 0.000 1.378 236 K HN -0.074 nan 8.250 nan 0.000 0.432 237 V N 1.796 121.758 119.914 0.079 0.000 2.604 237 V HA 0.470 4.599 4.120 0.015 0.000 0.305 237 V C -0.698 175.453 176.094 0.095 0.000 1.043 237 V CA -0.697 61.656 62.300 0.088 0.000 0.888 237 V CB 1.676 33.543 31.823 0.073 0.000 0.995 237 V HN 0.772 nan 8.190 nan 0.000 0.429 238 S N 4.713 120.489 115.700 0.125 0.000 2.552 238 S HA 0.725 5.204 4.470 0.015 0.000 0.314 238 S C -1.276 173.426 174.600 0.171 0.000 1.099 238 S CA -0.419 57.854 58.200 0.121 0.000 1.070 238 S CB 0.745 64.028 63.200 0.137 0.000 0.998 238 S HN 0.573 nan 8.310 nan 0.000 0.474 239 F N 3.731 123.673 119.950 -0.013 0.000 2.508 239 F HA 0.726 5.262 4.527 0.014 0.000 0.325 239 F C -0.395 175.390 175.800 -0.025 0.000 1.090 239 F CA -0.163 57.828 58.000 -0.015 0.000 0.945 239 F CB 2.150 41.125 39.000 -0.041 0.000 1.156 239 F HN 0.480 nan 8.300 nan 0.000 0.463 240 T N 3.960 118.002 114.554 -0.853 0.000 2.848 240 T HA 0.809 5.168 4.350 0.015 0.000 0.285 240 T C -0.277 173.743 174.700 -1.134 0.000 0.995 240 T CA -0.238 61.452 62.100 -0.684 0.000 0.970 240 T CB 1.304 69.986 68.868 -0.311 0.000 0.976 240 T HN 1.137 nan 8.240 nan 0.000 0.441 241 G N 1.592 109.976 108.800 -0.694 0.000 2.367 241 G HA2 0.436 4.404 3.960 0.015 0.000 0.272 241 G HA3 0.436 4.404 3.960 0.015 0.000 0.272 241 G C -0.550 174.334 174.900 -0.026 0.000 1.271 241 G CA -0.184 44.667 45.100 -0.414 0.000 0.893 241 G HN 0.980 nan 8.290 nan 0.000 0.485 242 S N -0.850 114.917 115.700 0.112 0.000 2.614 242 S HA 0.476 4.955 4.470 0.015 0.000 0.265 242 S C 1.542 176.253 174.600 0.186 0.000 1.303 242 S CA 0.353 58.620 58.200 0.112 0.000 1.000 242 S CB 1.440 64.688 63.200 0.079 0.000 0.935 242 S HN 1.267 nan 8.310 nan 0.000 0.551 243 V N 2.327 122.328 119.914 0.146 0.000 2.261 243 V HA -0.048 4.081 4.120 0.015 0.000 0.246 243 V C -0.690 175.428 176.094 0.041 0.000 1.047 243 V CA 1.838 64.199 62.300 0.103 0.000 1.015 243 V CB -1.876 30.001 31.823 0.090 0.000 0.642 243 V HN 0.746 nan 8.190 nan 0.000 0.446 244 P HA -0.087 nan 4.420 nan 0.000 0.217 244 P C 1.753 179.039 177.300 -0.023 0.000 1.150 244 P CA 1.588 64.694 63.100 0.011 0.000 0.832 244 P CB -0.197 31.522 31.700 0.031 0.000 0.787 245 T N -1.384 113.171 114.554 0.002 0.000 2.904 245 T HA -0.020 4.339 4.350 0.015 0.000 0.267 245 T C 2.019 176.483 174.700 -0.394 0.000 1.059 245 T CA 1.511 63.553 62.100 -0.095 0.000 1.137 245 T CB -1.093 67.825 68.868 0.084 0.000 0.879 245 T HN 0.165 nan 8.240 nan 0.000 0.467 246 G N 1.759 110.369 108.800 -0.316 0.000 2.408 246 G HA2 -0.154 3.815 3.960 0.015 0.000 0.217 246 G HA3 -0.154 3.815 3.960 0.015 0.000 0.217 246 G C 1.581 176.297 174.900 -0.307 0.000 1.150 246 G CA 0.472 45.284 45.100 -0.482 0.000 0.776 246 G HN 0.410 nan 8.290 nan 0.000 0.542 247 K N 0.476 120.775 120.400 -0.168 0.000 2.044 247 K HA -0.109 4.220 4.320 0.015 0.000 0.210 247 K C 2.566 179.091 176.600 -0.125 0.000 1.049 247 K CA 1.386 57.607 56.287 -0.110 0.000 0.927 247 K CB -0.124 32.338 32.500 -0.063 0.000 0.713 247 K HN 0.181 nan 8.250 nan 0.000 0.443 248 K N 0.588 120.898 120.400 -0.150 0.000 2.097 248 K HA -0.083 4.245 4.320 0.015 0.000 0.205 248 K C 2.178 178.670 176.600 -0.179 0.000 1.050 248 K CA 0.989 57.197 56.287 -0.132 0.000 0.938 248 K CB -0.258 32.174 32.500 -0.113 0.000 0.718 248 K HN -0.018 nan 8.250 nan 0.000 0.442 249 V N 2.117 121.849 119.914 -0.302 0.000 2.332 249 V HA -0.287 3.842 4.120 0.015 0.000 0.248 249 V C 2.490 178.473 176.094 -0.184 0.000 1.055 249 V CA 1.849 63.962 62.300 -0.311 0.000 1.038 249 V CB -0.395 31.100 31.823 -0.546 0.000 0.651 249 V HN 0.364 nan 8.190 nan 0.000 0.450 250 M N -0.411 119.099 119.600 -0.150 0.000 2.132 250 M HA -0.199 4.290 4.480 0.015 0.000 0.263 250 M C 2.176 178.457 176.300 -0.032 0.000 1.065 250 M CA 1.924 57.193 55.300 -0.052 0.000 1.122 250 M CB -0.175 32.423 32.600 -0.003 0.000 1.365 250 M HN 0.338 nan 8.290 nan 0.000 0.411 251 E N 0.098 120.273 120.200 -0.043 0.000 2.049 251 E HA -0.255 4.104 4.350 0.015 0.000 0.198 251 E C 1.939 178.530 176.600 -0.015 0.000 1.007 251 E CA 2.177 58.563 56.400 -0.023 0.000 0.809 251 E CB -0.220 29.467 29.700 -0.022 0.000 0.749 251 E HN 0.584 nan 8.360 nan 0.000 0.450 252 M N 0.070 119.637 119.600 -0.056 0.000 2.213 252 M HA -0.122 4.367 4.480 0.015 0.000 0.263 252 M C 2.235 178.500 176.300 -0.059 0.000 1.062 252 M CA 0.982 56.237 55.300 -0.075 0.000 1.105 252 M CB 0.089 32.480 32.600 -0.348 0.000 1.385 252 M HN -0.038 nan 8.290 nan 0.000 0.417 253 S N 0.502 116.164 115.700 -0.064 0.000 2.453 253 S HA 0.044 4.522 4.470 0.015 0.000 0.231 253 S C 2.009 176.615 174.600 0.010 0.000 1.005 253 S CA 0.884 59.070 58.200 -0.023 0.000 0.949 253 S CB -0.229 62.962 63.200 -0.016 0.000 0.774 253 S HN 0.537 nan 8.310 nan 0.000 0.510 254 A N 1.940 124.766 122.820 0.010 0.000 2.019 254 A HA -0.107 4.222 4.320 0.015 0.000 0.219 254 A C 1.959 179.556 177.584 0.022 0.000 1.164 254 A CA 1.287 53.330 52.037 0.011 0.000 0.644 254 A CB -0.361 18.642 19.000 0.006 0.000 0.805 254 A HN 0.444 nan 8.150 nan 0.000 0.449 255 K N -0.952 119.477 120.400 0.047 0.000 2.209 255 K HA -0.048 4.281 4.320 0.015 0.000 0.204 255 K C 0.739 177.364 176.600 0.041 0.000 1.048 255 K CA 1.566 57.884 56.287 0.053 0.000 0.940 255 K CB -0.059 32.499 32.500 0.096 0.000 0.729 255 K HN 0.337 nan 8.250 nan 0.000 0.451 256 T N 0.251 114.832 114.554 0.045 0.000 3.228 256 T HA 0.123 4.482 4.350 0.015 0.000 0.278 256 T C -0.367 174.351 174.700 0.030 0.000 1.014 256 T CA -0.241 61.881 62.100 0.037 0.000 0.904 256 T CB 0.462 69.361 68.868 0.050 0.000 1.110 256 T HN -0.097 nan 8.240 nan 0.000 0.541 257 V N 1.164 121.087 119.914 0.016 0.000 5.325 257 V HA -0.243 3.886 4.120 0.015 0.000 0.291 257 V C 0.585 176.681 176.094 0.002 0.000 0.541 257 V CA 0.774 63.071 62.300 -0.004 0.000 0.687 257 V CB -2.031 29.785 31.823 -0.011 0.000 0.491 257 V HN 0.553 nan 8.190 nan 0.000 1.145 258 K N 0.767 121.183 120.400 0.026 0.000 2.295 258 K HA 0.327 4.656 4.320 0.015 0.000 0.270 258 K C 0.710 177.343 176.600 0.055 0.000 1.011 258 K CA -0.634 55.697 56.287 0.073 0.000 0.953 258 K CB 0.413 32.956 32.500 0.071 0.000 0.956 258 K HN 0.544 nan 8.250 nan 0.000 0.477 259 H N 1.149 120.228 119.070 0.015 0.000 2.964 259 H HA 0.056 4.620 4.556 0.013 0.000 0.328 259 H C -0.392 174.961 175.328 0.041 0.000 1.030 259 H CA 0.026 56.088 56.048 0.023 0.000 1.445 259 H CB 0.578 30.342 29.762 0.003 0.000 1.449 259 H HN 0.090 nan 8.280 nan 0.000 0.581 260 V N 3.520 123.536 119.914 0.170 0.000 2.588 260 V HA 0.229 4.358 4.120 0.015 0.000 0.304 260 V C 0.107 176.344 176.094 0.239 0.000 1.042 260 V CA -0.770 61.636 62.300 0.178 0.000 0.877 260 V CB 2.110 34.050 31.823 0.194 0.000 0.996 260 V HN 0.921 nan 8.190 nan 0.000 0.425 261 T N 3.021 117.629 114.554 0.089 0.000 2.861 261 T HA 0.841 5.200 4.350 0.015 0.000 0.287 261 T C -0.978 173.638 174.700 -0.140 0.000 1.003 261 T CA -0.684 61.408 62.100 -0.013 0.000 0.977 261 T CB 1.563 70.362 68.868 -0.115 0.000 0.996 261 T HN 0.367 nan 8.240 nan 0.000 0.448 262 L N 2.229 123.221 121.223 -0.384 0.000 2.381 262 L HA 0.552 4.901 4.340 0.015 0.000 0.274 262 L C -0.187 176.551 176.870 -0.221 0.000 0.988 262 L CA -0.823 53.851 54.840 -0.277 0.000 0.824 262 L CB 2.094 43.865 42.059 -0.479 0.000 1.263 262 L HN 0.675 nan 8.230 nan 0.000 0.410 263 E N 4.196 124.343 120.200 -0.088 0.000 2.256 263 E HA 0.365 4.723 4.350 0.015 0.000 0.243 263 E C -0.804 175.774 176.600 -0.037 0.000 0.925 263 E CA -0.580 55.764 56.400 -0.093 0.000 0.748 263 E CB 2.036 31.702 29.700 -0.056 0.000 1.206 263 E HN 0.280 nan 8.360 nan 0.000 0.428 264 L N 0.465 121.686 121.223 -0.005 0.000 2.874 264 L HA 0.526 4.875 4.340 0.015 0.000 0.229 264 L C 1.453 178.363 176.870 0.066 0.000 1.200 264 L CA -0.324 54.554 54.840 0.063 0.000 0.976 264 L CB -0.242 41.878 42.059 0.102 0.000 1.887 264 L HN 0.458 nan 8.230 nan 0.000 0.543 265 G N -1.921 106.938 108.800 0.099 0.000 2.630 265 G HA2 0.596 4.565 3.960 0.015 0.000 0.223 265 G HA3 0.596 4.565 3.960 0.015 0.000 0.223 265 G C -0.590 174.245 174.900 -0.108 0.000 1.434 265 G CA 0.102 45.202 45.100 -0.001 0.000 1.057 265 G HN 0.876 nan 8.290 nan 0.000 0.570 266 G N -2.162 106.362 108.800 -0.460 0.000 2.600 266 G HA2 0.474 4.442 3.960 0.015 0.000 0.293 266 G HA3 0.474 4.442 3.960 0.015 0.000 0.293 266 G C -1.555 172.759 174.900 -0.977 0.000 1.408 266 G CA -0.419 44.255 45.100 -0.709 0.000 0.782 266 G HN 0.549 nan 8.290 nan 0.000 0.482 267 K N 0.686 120.718 120.400 -0.613 0.000 3.301 267 K HA 0.453 4.782 4.320 0.015 0.000 0.170 267 K C 0.002 176.584 176.600 -0.030 0.000 1.061 267 K CA -0.516 55.621 56.287 -0.250 0.000 0.807 267 K CB 0.075 32.525 32.500 -0.084 0.000 0.889 267 K HN 0.418 nan 8.250 nan 0.000 0.564 268 S N 3.002 118.696 115.700 -0.010 0.000 2.562 268 S HA 0.314 4.793 4.470 0.015 0.000 0.281 268 S C -2.392 172.283 174.600 0.124 0.000 1.333 268 S CA -0.625 57.633 58.200 0.096 0.000 1.052 268 S CB 0.582 63.885 63.200 0.172 0.000 0.884 268 S HN 0.394 nan 8.310 nan 0.000 0.506 269 P HA 0.475 nan 4.420 nan 0.000 0.293 269 P C -1.358 176.094 177.300 0.254 0.000 1.291 269 P CA -0.831 62.419 63.100 0.249 0.000 0.867 269 P CB 1.131 33.008 31.700 0.296 0.000 1.074 270 L N 4.008 125.373 121.223 0.236 0.000 2.372 270 L HA 0.422 4.771 4.340 0.015 0.000 0.273 270 L C -1.224 175.780 176.870 0.223 0.000 0.989 270 L CA -0.554 54.430 54.840 0.240 0.000 0.841 270 L CB 0.792 42.923 42.059 0.121 0.000 1.225 270 L HN 0.178 nan 8.230 nan 0.000 0.414 271 L N 6.223 127.569 121.223 0.205 0.000 2.272 271 L HA 0.538 4.887 4.340 0.015 0.000 0.289 271 L C -0.520 176.453 176.870 0.171 0.000 1.032 271 L CA -0.564 54.322 54.840 0.076 0.000 0.810 271 L CB 1.373 43.366 42.059 -0.109 0.000 1.205 271 L HN 0.499 nan 8.230 nan 0.000 0.422 272 I N 3.428 124.061 120.570 0.104 0.000 2.405 272 I HA 0.325 4.504 4.170 0.015 0.000 0.280 272 I C -0.267 175.897 176.117 0.079 0.000 1.027 272 I CA -0.198 61.180 61.300 0.129 0.000 1.161 272 I CB 1.082 39.016 38.000 -0.110 0.000 1.300 272 I HN 0.419 nan 8.210 nan 0.000 0.463 273 F N 4.952 125.051 119.950 0.249 0.000 2.375 273 F HA 0.203 4.739 4.527 0.014 0.000 0.313 273 F C 1.876 177.724 175.800 0.079 0.000 1.176 273 F CA -0.388 57.736 58.000 0.208 0.000 1.142 273 F CB 0.959 40.077 39.000 0.195 0.000 1.275 273 F HN 0.431 nan 8.300 nan 0.000 0.544 274 K N 0.015 120.547 120.400 0.220 0.000 2.288 274 K HA -0.117 4.212 4.320 0.015 0.000 0.201 274 K C 0.674 177.347 176.600 0.121 0.000 1.048 274 K CA 1.596 57.942 56.287 0.098 0.000 0.956 274 K CB -0.334 32.189 32.500 0.038 0.000 0.746 274 K HN 0.664 nan 8.250 nan 0.000 0.461 275 D N 1.980 122.476 120.400 0.161 0.000 2.324 275 D HA -0.054 4.595 4.640 0.015 0.000 0.235 275 D C 0.913 177.294 176.300 0.135 0.000 1.095 275 D CA -0.211 53.859 54.000 0.117 0.000 0.871 275 D CB -0.875 39.977 40.800 0.086 0.000 0.906 275 D HN 0.414 nan 8.370 nan 0.000 0.522 276 C N -0.081 119.325 119.300 0.176 0.000 2.633 276 C HA 0.398 4.867 4.460 0.015 0.000 0.345 276 C C 0.589 175.667 174.990 0.147 0.000 1.384 276 C CA -1.041 58.097 59.018 0.200 0.000 2.418 276 C CB 0.057 27.949 27.740 0.253 0.000 2.425 276 C HN 0.200 nan 8.230 nan 0.000 0.705 277 E N 0.833 121.131 120.200 0.163 0.000 2.052 277 E HA 0.149 4.508 4.350 0.015 0.000 0.283 277 E C 0.854 177.507 176.600 0.088 0.000 1.071 277 E CA -0.224 56.245 56.400 0.116 0.000 0.851 277 E CB 0.794 30.566 29.700 0.119 0.000 1.066 277 E HN 0.613 nan 8.360 nan 0.000 0.396 278 L N 2.790 124.051 121.223 0.063 0.000 2.013 278 L HA -0.267 4.082 4.340 0.015 0.000 0.212 278 L C 2.318 179.192 176.870 0.008 0.000 1.073 278 L CA 1.781 56.648 54.840 0.046 0.000 0.753 278 L CB -0.080 42.008 42.059 0.050 0.000 0.890 278 L HN 0.579 nan 8.230 nan 0.000 0.432 279 E N 0.232 120.436 120.200 0.007 0.000 2.110 279 E HA -0.219 4.139 4.350 0.015 0.000 0.193 279 E C 1.841 178.428 176.600 -0.021 0.000 0.988 279 E CA 1.489 57.881 56.400 -0.014 0.000 0.804 279 E CB -0.098 29.602 29.700 0.000 0.000 0.745 279 E HN 0.381 nan 8.360 nan 0.000 0.458 280 N N 0.139 118.850 118.700 0.018 0.000 2.142 280 N HA -0.078 4.671 4.740 0.015 0.000 0.186 280 N C 1.619 177.017 175.510 -0.186 0.000 1.023 280 N CA 1.397 54.488 53.050 0.068 0.000 0.852 280 N CB -0.474 38.149 38.487 0.226 0.000 0.998 280 N HN 0.319 nan 8.380 nan 0.000 0.424 281 A N 0.893 123.445 122.820 -0.447 0.000 1.908 281 A HA -0.100 4.229 4.320 0.015 0.000 0.218 281 A C 2.540 179.873 177.584 -0.417 0.000 1.181 281 A CA 1.340 52.774 52.037 -1.005 0.000 0.627 281 A CB -0.829 17.864 19.000 -0.511 0.000 0.818 281 A HN 0.097 nan 8.150 nan 0.000 0.445 282 V N 0.170 119.992 119.914 -0.154 0.000 2.255 282 V HA -0.318 3.811 4.120 0.015 0.000 0.247 282 V C 2.655 178.675 176.094 -0.122 0.000 1.051 282 V CA 2.374 64.588 62.300 -0.142 0.000 1.018 282 V CB -0.867 30.847 31.823 -0.181 0.000 0.641 282 V HN 0.565 nan 8.190 nan 0.000 0.445 283 R N 0.126 120.572 120.500 -0.089 0.000 2.096 283 R HA -0.170 4.179 4.340 0.015 0.000 0.240 283 R C 2.479 178.767 176.300 -0.019 0.000 1.139 283 R CA 1.677 57.756 56.100 -0.034 0.000 0.952 283 R CB -1.110 29.196 30.300 0.010 0.000 0.854 283 R HN 0.602 nan 8.270 nan 0.000 0.436 284 G N 1.002 109.784 108.800 -0.031 0.000 2.491 284 G HA2 -0.325 3.644 3.960 0.015 0.000 0.218 284 G HA3 -0.325 3.644 3.960 0.015 0.000 0.218 284 G C 1.604 176.487 174.900 -0.029 0.000 1.180 284 G CA 1.053 46.219 45.100 0.111 0.000 0.774 284 G HN 0.451 nan 8.290 nan 0.000 0.562 285 A N 0.040 122.805 122.820 -0.093 0.000 1.940 285 A HA 0.057 4.386 4.320 0.015 0.000 0.219 285 A C 2.382 179.851 177.584 -0.191 0.000 1.176 285 A CA 1.508 53.481 52.037 -0.108 0.000 0.631 285 A CB -0.344 18.723 19.000 0.112 0.000 0.814 285 A HN 0.306 nan 8.150 nan 0.000 0.446 286 L N -0.992 120.167 121.223 -0.106 0.000 2.027 286 L HA -0.065 4.284 4.340 0.015 0.000 0.206 286 L C 2.518 179.337 176.870 -0.085 0.000 1.074 286 L CA 1.576 56.394 54.840 -0.038 0.000 0.745 286 L CB -1.034 41.062 42.059 0.062 0.000 0.898 286 L HN 0.333 nan 8.230 nan 0.000 0.433 287 M N -1.161 118.399 119.600 -0.066 0.000 2.460 287 M HA -0.032 4.457 4.480 0.015 0.000 0.263 287 M C 2.034 178.257 176.300 -0.129 0.000 1.071 287 M CA 1.053 56.318 55.300 -0.059 0.000 1.096 287 M CB -1.182 31.409 32.600 -0.016 0.000 1.408 287 M HN 0.257 nan 8.290 nan 0.000 0.463 288 A N -0.320 122.323 122.820 -0.295 0.000 2.169 288 A HA 0.008 4.337 4.320 0.015 0.000 0.212 288 A C 1.849 179.153 177.584 -0.466 0.000 1.153 288 A CA 0.861 52.552 52.037 -0.577 0.000 0.756 288 A CB -0.168 18.180 19.000 -1.088 0.000 0.813 288 A HN 0.486 nan 8.150 nan 0.000 0.471 289 N N -2.183 116.210 118.700 -0.511 0.000 2.325 289 N HA 0.141 4.889 4.740 0.015 0.000 0.220 289 N C -0.218 174.936 175.510 -0.594 0.000 1.176 289 N CA 0.403 53.043 53.050 -0.684 0.000 0.861 289 N CB 0.508 38.291 38.487 -1.174 0.000 1.230 289 N HN 0.368 nan 8.380 nan 0.000 0.479 290 F N 1.476 121.372 119.950 -0.090 0.000 2.654 290 F HA 0.425 4.961 4.527 0.015 0.000 0.303 290 F C 0.714 176.475 175.800 -0.064 0.000 1.099 290 F CA -0.357 57.600 58.000 -0.073 0.000 1.270 290 F CB -0.200 38.763 39.000 -0.062 0.000 1.024 290 F HN -0.225 nan 8.300 nan 0.000 0.548 291 L N 0.076 121.331 121.223 0.054 0.000 2.467 291 L HA 0.137 4.486 4.340 0.015 0.000 0.270 291 L C 1.258 178.127 176.870 -0.002 0.000 1.205 291 L CA 0.076 54.932 54.840 0.026 0.000 0.828 291 L CB 0.021 42.088 42.059 0.013 0.000 1.101 291 L HN 0.157 nan 8.230 nan 0.000 0.479 292 T N 2.091 116.628 114.554 -0.029 0.000 3.795 292 T HA -0.230 4.129 4.350 0.015 0.000 0.370 292 T C 0.566 175.244 174.700 -0.038 0.000 0.761 292 T CA 0.964 63.016 62.100 -0.079 0.000 1.923 292 T CB -1.084 67.664 68.868 -0.201 0.000 1.795 292 T HN 0.786 nan 8.240 nan 0.000 0.762 293 Q N -2.158 117.650 119.800 0.013 0.000 2.480 293 Q HA -0.170 4.178 4.340 0.015 0.000 0.265 293 Q C 1.251 177.272 176.000 0.035 0.000 1.072 293 Q CA 2.034 57.862 55.803 0.042 0.000 1.018 293 Q CB -1.925 26.835 28.738 0.037 0.000 1.433 293 Q HN 1.636 nan 8.270 nan 0.000 0.513 294 G N -0.917 107.890 108.800 0.012 0.000 2.153 294 G HA2 -0.370 3.599 3.960 0.015 0.000 0.252 294 G HA3 -0.370 3.599 3.960 0.015 0.000 0.252 294 G C 0.049 174.779 174.900 -0.284 0.000 0.994 294 G CA 0.398 45.455 45.100 -0.070 0.000 0.698 294 G HN 0.436 nan 8.290 nan 0.000 0.521 295 Q N -0.118 119.465 119.800 -0.362 0.000 2.923 295 Q HA 0.523 4.871 4.340 0.015 0.000 0.363 295 Q C -0.382 175.052 176.000 -0.942 0.000 1.159 295 Q CA -0.246 55.035 55.803 -0.871 0.000 1.073 295 Q CB 1.515 30.121 28.738 -0.221 0.000 1.364 295 Q HN 0.291 nan 8.270 nan 0.000 0.466 296 V N 0.047 119.510 119.914 -0.752 0.000 2.638 296 V HA 0.072 4.201 4.120 0.015 0.000 0.306 296 V C 1.072 177.120 176.094 -0.077 0.000 1.052 296 V CA -0.884 61.279 62.300 -0.230 0.000 0.885 296 V CB 1.390 33.184 31.823 -0.048 0.000 0.999 296 V HN 0.752 nan 8.190 nan 0.000 0.424 297 C N 0.992 120.369 119.300 0.128 0.000 2.440 297 C HA -0.087 4.382 4.460 0.015 0.000 0.278 297 C C 2.449 177.525 174.990 0.144 0.000 1.295 297 C CA 1.286 60.432 59.018 0.214 0.000 1.738 297 C CB -1.551 26.311 27.740 0.204 0.000 1.987 297 C HN 0.963 nan 8.230 nan 0.000 0.492 298 T N -1.674 112.971 114.554 0.151 0.000 3.148 298 T HA 0.063 4.421 4.350 0.015 0.000 0.253 298 T C 0.427 175.277 174.700 0.250 0.000 1.134 298 T CA -0.054 62.173 62.100 0.212 0.000 1.051 298 T CB -1.185 67.830 68.868 0.245 0.000 0.959 298 T HN 0.703 nan 8.240 nan 0.000 0.525 299 N N 1.527 120.297 118.700 0.116 0.000 2.293 299 N HA 0.190 4.938 4.740 0.015 0.000 0.253 299 N C 0.391 175.889 175.510 -0.020 0.000 1.248 299 N CA -0.024 53.033 53.050 0.012 0.000 0.845 299 N CB 0.255 38.666 38.487 -0.127 0.000 1.073 299 N HN 0.489 nan 8.380 nan 0.000 0.464 300 G N 0.822 109.467 108.800 -0.258 0.000 2.770 300 G HA2 0.092 4.061 3.960 0.015 0.000 0.307 300 G HA3 0.092 4.061 3.960 0.015 0.000 0.307 300 G C 1.026 175.779 174.900 -0.244 0.000 0.863 300 G CA -0.518 44.444 45.100 -0.229 0.000 1.595 300 G HN 0.667 nan 8.290 nan 0.000 0.496 301 T N -1.140 113.315 114.554 -0.164 0.000 3.107 301 T HA 0.198 4.557 4.350 0.015 0.000 0.249 301 T C 0.988 175.582 174.700 -0.177 0.000 1.096 301 T CA -0.154 61.834 62.100 -0.186 0.000 1.012 301 T CB 0.242 69.011 68.868 -0.165 0.000 0.977 301 T HN 0.302 nan 8.240 nan 0.000 0.527 302 R N 1.315 121.713 120.500 -0.171 0.000 2.310 302 R HA 0.537 4.886 4.340 0.015 0.000 0.316 302 R C -1.429 174.650 176.300 -0.368 0.000 1.004 302 R CA -0.486 55.432 56.100 -0.303 0.000 0.900 302 R CB 1.848 31.989 30.300 -0.264 0.000 1.152 302 R HN 0.140 nan 8.270 nan 0.000 0.513 303 V N 5.034 124.727 119.914 -0.368 0.000 2.348 303 V HA 0.288 4.417 4.120 0.015 0.000 0.270 303 V C -0.341 175.560 176.094 -0.321 0.000 1.037 303 V CA -0.422 61.723 62.300 -0.259 0.000 0.872 303 V CB 0.342 32.066 31.823 -0.166 0.000 1.002 303 V HN 0.502 nan 8.190 nan 0.000 0.464 304 F N 4.112 124.012 119.950 -0.083 0.000 2.391 304 F HA 0.538 5.073 4.527 0.014 0.000 0.359 304 F C 0.200 176.035 175.800 0.057 0.000 1.122 304 F CA -0.443 57.559 58.000 0.004 0.000 1.120 304 F CB 1.577 40.532 39.000 -0.075 0.000 1.142 304 F HN 0.189 nan 8.300 nan 0.000 0.483 305 V N 3.860 123.839 119.914 0.108 0.000 2.487 305 V HA 0.250 4.379 4.120 0.015 0.000 0.298 305 V C -0.078 175.760 176.094 -0.426 0.000 1.028 305 V CA -1.157 61.029 62.300 -0.190 0.000 0.860 305 V CB 1.542 33.069 31.823 -0.492 0.000 0.991 305 V HN 0.647 nan 8.190 nan 0.000 0.427 306 Q N 3.251 122.554 119.800 -0.829 0.000 2.269 306 Q HA 0.020 4.369 4.340 0.015 0.000 0.300 306 Q C 1.526 177.203 176.000 -0.539 0.000 1.070 306 Q CA 0.367 55.453 55.803 -1.195 0.000 0.957 306 Q CB 0.470 28.682 28.738 -0.876 0.000 1.131 306 Q HN 0.624 nan 8.270 nan 0.000 0.377 307 R N 2.992 123.228 120.500 -0.441 0.000 2.134 307 R HA -0.314 4.035 4.340 0.015 0.000 0.248 307 R C 1.171 177.386 176.300 -0.142 0.000 1.143 307 R CA 2.514 58.483 56.100 -0.219 0.000 0.957 307 R CB 0.129 30.337 30.300 -0.154 0.000 0.867 307 R HN 0.733 nan 8.270 nan 0.000 0.441 308 E N 0.062 120.183 120.200 -0.132 0.000 2.118 308 E HA -0.192 4.167 4.350 0.015 0.000 0.195 308 E C 1.702 178.271 176.600 -0.052 0.000 0.992 308 E CA 1.807 58.163 56.400 -0.073 0.000 0.804 308 E CB -0.157 29.510 29.700 -0.056 0.000 0.741 308 E HN 0.684 nan 8.360 nan 0.000 0.458 309 I N -2.344 118.186 120.570 -0.067 0.000 3.928 309 I HA 0.263 4.442 4.170 0.015 0.000 0.335 309 I C 1.763 177.888 176.117 0.013 0.000 1.325 309 I CA -0.154 61.136 61.300 -0.017 0.000 1.107 309 I CB 0.119 38.116 38.000 -0.005 0.000 1.014 309 I HN -0.010 nan 8.210 nan 0.000 0.400 310 M N 2.870 122.456 119.600 -0.024 0.000 2.065 310 M HA 0.019 4.508 4.480 0.015 0.000 0.259 310 M C -0.903 175.451 176.300 0.090 0.000 1.069 310 M CA 2.575 57.887 55.300 0.019 0.000 1.110 310 M CB -1.116 31.463 32.600 -0.036 0.000 1.328 310 M HN 0.053 nan 8.290 nan 0.000 0.405 311 P HA -0.215 nan 4.420 nan 0.000 0.214 311 P C 1.177 178.504 177.300 0.045 0.000 1.163 311 P CA 1.749 64.873 63.100 0.039 0.000 0.889 311 P CB -0.632 31.078 31.700 0.017 0.000 0.790 312 Q N -1.157 118.671 119.800 0.047 0.000 2.224 312 Q HA -0.171 4.178 4.340 0.015 0.000 0.203 312 Q C 2.146 178.176 176.000 0.051 0.000 0.970 312 Q CA 1.357 57.181 55.803 0.035 0.000 0.865 312 Q CB -1.497 27.260 28.738 0.031 0.000 0.922 312 Q HN 0.273 nan 8.270 nan 0.000 0.445 313 F N 1.513 121.438 119.950 -0.041 0.000 2.113 313 F HA -0.147 4.389 4.527 0.014 0.000 0.297 313 F C 1.837 177.611 175.800 -0.044 0.000 1.103 313 F CA 0.758 58.728 58.000 -0.050 0.000 1.248 313 F CB -0.115 38.850 39.000 -0.059 0.000 0.999 313 F HN 0.011 nan 8.300 nan 0.000 0.475 314 L N 1.078 122.328 121.223 0.045 0.000 2.046 314 L HA -0.185 4.164 4.340 0.015 0.000 0.208 314 L C 2.458 179.263 176.870 -0.109 0.000 1.077 314 L CA 2.005 56.827 54.840 -0.030 0.000 0.747 314 L CB -1.364 40.743 42.059 0.081 0.000 0.896 314 L HN 0.390 nan 8.230 nan 0.000 0.432 315 E N -0.591 119.564 120.200 -0.074 0.000 2.038 315 E HA -0.306 4.052 4.350 0.015 0.000 0.195 315 E C 2.038 178.570 176.600 -0.114 0.000 1.000 315 E CA 1.633 57.990 56.400 -0.073 0.000 0.803 315 E CB 0.021 29.694 29.700 -0.045 0.000 0.750 315 E HN 0.438 nan 8.360 nan 0.000 0.448 316 E N -0.089 120.017 120.200 -0.157 0.000 2.152 316 E HA -0.101 4.258 4.350 0.015 0.000 0.192 316 E C 1.893 178.353 176.600 -0.232 0.000 0.983 316 E CA 0.791 57.087 56.400 -0.173 0.000 0.818 316 E CB -0.072 29.528 29.700 -0.168 0.000 0.758 316 E HN 0.203 nan 8.360 nan 0.000 0.467 317 V N -0.665 119.023 119.914 -0.375 0.000 2.548 317 V HA -0.124 4.005 4.120 0.015 0.000 0.249 317 V C 2.018 178.003 176.094 -0.181 0.000 1.055 317 V CA 1.258 63.333 62.300 -0.375 0.000 1.065 317 V CB 0.072 31.471 31.823 -0.708 0.000 0.681 317 V HN 0.224 nan 8.190 nan 0.000 0.462 318 V N 0.367 120.193 119.914 -0.147 0.000 2.427 318 V HA -0.224 3.905 4.120 0.015 0.000 0.248 318 V C 2.450 178.493 176.094 -0.086 0.000 1.051 318 V CA 2.360 64.609 62.300 -0.086 0.000 1.048 318 V CB -0.704 31.081 31.823 -0.063 0.000 0.666 318 V HN 0.579 nan 8.190 nan 0.000 0.456 319 K N 0.150 120.495 120.400 -0.092 0.000 2.057 319 K HA -0.172 4.157 4.320 0.015 0.000 0.206 319 K C 2.388 178.938 176.600 -0.084 0.000 1.050 319 K CA 1.135 57.374 56.287 -0.080 0.000 0.935 319 K CB -0.084 32.371 32.500 -0.074 0.000 0.715 319 K HN 0.279 nan 8.250 nan 0.000 0.439 320 R N 0.183 120.628 120.500 -0.092 0.000 2.096 320 R HA -0.067 4.282 4.340 0.015 0.000 0.235 320 R C 2.250 178.491 176.300 -0.099 0.000 1.127 320 R CA 1.624 57.674 56.100 -0.084 0.000 0.968 320 R CB -0.882 29.370 30.300 -0.080 0.000 0.861 320 R HN 0.307 nan 8.270 nan 0.000 0.440 321 T N 1.348 115.834 114.554 -0.113 0.000 2.770 321 T HA -0.063 4.295 4.350 0.015 0.000 0.263 321 T C 1.772 176.342 174.700 -0.216 0.000 1.039 321 T CA 1.152 63.123 62.100 -0.215 0.000 1.142 321 T CB -0.025 68.732 68.868 -0.185 0.000 0.868 321 T HN 0.242 nan 8.240 nan 0.000 0.435 322 K N 1.212 121.526 120.400 -0.143 0.000 2.209 322 K HA 0.062 4.391 4.320 0.015 0.000 0.204 322 K C 2.337 178.872 176.600 -0.108 0.000 1.048 322 K CA 1.016 57.232 56.287 -0.118 0.000 0.940 322 K CB -0.161 32.287 32.500 -0.085 0.000 0.729 322 K HN 0.276 nan 8.250 nan 0.000 0.451 323 A N 1.023 123.782 122.820 -0.101 0.000 2.167 323 A HA 0.030 4.359 4.320 0.015 0.000 0.214 323 A C 0.825 178.354 177.584 -0.091 0.000 1.151 323 A CA 0.133 52.120 52.037 -0.084 0.000 0.735 323 A CB -0.349 18.610 19.000 -0.069 0.000 0.802 323 A HN 0.150 nan 8.150 nan 0.000 0.467 324 I N 1.491 121.987 120.570 -0.123 0.000 2.741 324 I HA -0.049 4.130 4.170 0.015 0.000 0.288 324 I C -0.273 175.786 176.117 -0.098 0.000 1.192 324 I CA 0.058 61.285 61.300 -0.121 0.000 1.426 324 I CB 0.739 38.619 38.000 -0.199 0.000 1.367 324 I HN -0.097 nan 8.210 nan 0.000 0.563 325 V N 8.378 128.250 119.914 -0.070 0.000 2.427 325 V HA 0.095 4.224 4.120 0.015 0.000 0.268 325 V C 0.273 176.335 176.094 -0.054 0.000 1.046 325 V CA -0.291 61.971 62.300 -0.063 0.000 0.970 325 V CB 1.073 32.867 31.823 -0.048 0.000 1.001 325 V HN 0.375 nan 8.190 nan 0.000 0.476 326 V N 5.328 125.199 119.914 -0.072 0.000 2.384 326 V HA 0.978 5.107 4.120 0.015 0.000 0.287 326 V C 0.658 176.667 176.094 -0.142 0.000 1.020 326 V CA 0.637 62.907 62.300 -0.050 0.000 0.850 326 V CB 0.795 32.588 31.823 -0.049 0.000 0.987 326 V HN 1.113 nan 8.190 nan 0.000 0.436 327 G N 3.732 112.486 108.800 -0.077 0.000 2.512 327 G HA2 0.151 4.120 3.960 0.015 0.000 0.181 327 G HA3 0.151 4.120 3.960 0.015 0.000 0.181 327 G C -1.359 173.578 174.900 0.062 0.000 1.173 327 G CA -0.529 44.462 45.100 -0.181 0.000 0.988 327 G HN 0.541 nan 8.290 nan 0.000 0.485 328 D N 2.117 122.532 120.400 0.025 0.000 2.382 328 D HA 0.319 4.968 4.640 0.015 0.000 0.259 328 D C -0.681 175.654 176.300 0.058 0.000 1.224 328 D CA -1.705 52.335 54.000 0.067 0.000 0.894 328 D CB 1.631 42.444 40.800 0.022 0.000 1.127 328 D HN 0.038 nan 8.370 nan 0.000 0.487 329 P HA -0.119 nan 4.420 nan 0.000 0.226 329 P C 1.310 178.625 177.300 0.026 0.000 1.153 329 P CA 0.126 63.255 63.100 0.048 0.000 0.777 329 P CB 0.462 32.185 31.700 0.040 0.000 0.794 330 L N -1.387 119.848 121.223 0.020 0.000 2.599 330 L HA 0.090 4.439 4.340 0.015 0.000 0.230 330 L C 0.853 177.726 176.870 0.006 0.000 1.141 330 L CA 0.498 55.343 54.840 0.009 0.000 0.877 330 L CB -1.190 40.872 42.059 0.005 0.000 1.009 330 L HN -0.091 nan 8.230 nan 0.000 0.447 331 L N -0.891 120.337 121.223 0.008 0.000 2.312 331 L HA 0.193 4.542 4.340 0.015 0.000 0.281 331 L C 1.891 178.765 176.870 0.006 0.000 1.070 331 L CA 0.347 55.188 54.840 0.002 0.000 0.805 331 L CB 0.996 43.053 42.059 -0.003 0.000 1.174 331 L HN 0.221 nan 8.230 nan 0.000 0.434 332 T N -1.528 113.029 114.554 0.005 0.000 2.929 332 T HA -0.112 4.247 4.350 0.015 0.000 0.271 332 T C 0.949 175.656 174.700 0.012 0.000 1.085 332 T CA 1.244 63.350 62.100 0.010 0.000 1.125 332 T CB -0.079 68.794 68.868 0.008 0.000 0.874 332 T HN 0.649 nan 8.240 nan 0.000 0.494 333 E N 0.949 121.152 120.200 0.004 0.000 2.481 333 E HA 0.084 4.443 4.350 0.015 0.000 0.198 333 E C 0.021 176.619 176.600 -0.003 0.000 1.027 333 E CA -0.095 56.305 56.400 0.000 0.000 0.900 333 E CB -0.463 29.233 29.700 -0.007 0.000 0.993 333 E HN 0.323 nan 8.360 nan 0.000 0.482 334 T N 1.703 116.257 114.554 0.000 0.000 2.926 334 T HA 0.199 4.558 4.350 0.015 0.000 0.307 334 T C 0.778 175.484 174.700 0.010 0.000 1.059 334 T CA -0.141 61.961 62.100 0.002 0.000 1.122 334 T CB 1.260 70.137 68.868 0.015 0.000 0.972 334 T HN 0.027 nan 8.240 nan 0.000 0.545 335 R N 0.800 121.303 120.500 0.004 0.000 2.521 335 R HA 0.351 4.700 4.340 0.015 0.000 0.289 335 R C -0.202 176.105 176.300 0.011 0.000 0.936 335 R CA 0.021 56.124 56.100 0.005 0.000 1.089 335 R CB 0.463 30.757 30.300 -0.010 0.000 1.348 335 R HN 0.618 nan 8.270 nan 0.000 0.536 336 M N -0.342 119.272 119.600 0.023 0.000 2.322 336 M HA 0.486 4.975 4.480 0.015 0.000 0.285 336 M C -0.793 175.576 176.300 0.116 0.000 1.119 336 M CA -0.574 54.753 55.300 0.046 0.000 0.953 336 M CB 2.210 34.822 32.600 0.020 0.000 1.701 336 M HN 0.104 nan 8.290 nan 0.000 0.479 337 G N 1.788 110.656 108.800 0.112 0.000 2.857 337 G HA2 0.752 4.721 3.960 0.015 0.000 0.217 337 G HA3 0.752 4.721 3.960 0.015 0.000 0.217 337 G C -0.357 174.567 174.900 0.040 0.000 1.357 337 G CA -0.539 44.657 45.100 0.161 0.000 1.033 337 G HN 0.829 nan 8.290 nan 0.000 0.571 338 G N -1.099 107.495 108.800 -0.344 0.000 2.476 338 G HA2 0.501 4.470 3.960 0.015 0.000 0.286 338 G HA3 0.501 4.470 3.960 0.015 0.000 0.286 338 G C 0.176 174.956 174.900 -0.200 0.000 1.177 338 G CA -0.648 44.079 45.100 -0.621 0.000 0.870 338 G HN 0.497 nan 8.290 nan 0.000 0.528 339 L N 1.279 122.440 121.223 -0.104 0.000 2.476 339 L HA 0.146 4.495 4.340 0.015 0.000 0.255 339 L C 1.873 178.727 176.870 -0.027 0.000 1.218 339 L CA -0.702 54.123 54.840 -0.026 0.000 0.819 339 L CB 0.444 42.498 42.059 -0.008 0.000 1.119 339 L HN 0.428 nan 8.230 nan 0.000 0.485 340 I N -0.186 120.301 120.570 -0.138 0.000 2.394 340 I HA -0.134 4.045 4.170 0.015 0.000 0.251 340 I C 1.066 177.063 176.117 -0.200 0.000 1.136 340 I CA 1.130 62.290 61.300 -0.233 0.000 1.425 340 I CB 0.204 37.758 38.000 -0.744 0.000 1.079 340 I HN 0.866 nan 8.210 nan 0.000 0.425 341 S N -1.441 114.017 115.700 -0.403 0.000 2.625 341 S HA 0.272 4.751 4.470 0.015 0.000 0.271 341 S C 0.321 174.272 174.600 -1.081 0.000 1.161 341 S CA -0.711 57.054 58.200 -0.725 0.000 0.820 341 S CB 2.154 65.074 63.200 -0.468 0.000 1.137 341 S HN -0.020 nan 8.310 nan 0.000 0.470 342 K N 1.024 120.638 120.400 -1.309 0.000 2.025 342 K HA 0.236 4.565 4.320 0.015 0.000 0.207 342 K C -1.218 175.128 176.600 -0.424 0.000 1.049 342 K CA 1.515 57.281 56.287 -0.868 0.000 0.933 342 K CB -1.487 30.614 32.500 -0.665 0.000 0.714 342 K HN 0.474 nan 8.250 nan 0.000 0.438 343 P HA -0.145 nan 4.420 nan 0.000 0.216 343 P C 1.096 178.314 177.300 -0.138 0.000 1.150 343 P CA 1.181 64.170 63.100 -0.185 0.000 0.837 343 P CB 0.047 31.660 31.700 -0.145 0.000 0.786 344 Q N -0.811 118.882 119.800 -0.179 0.000 2.046 344 Q HA -0.133 4.216 4.340 0.015 0.000 0.200 344 Q C 2.160 178.141 176.000 -0.031 0.000 0.975 344 Q CA 1.107 56.867 55.803 -0.071 0.000 0.836 344 Q CB -1.342 27.326 28.738 -0.116 0.000 0.896 344 Q HN 0.203 nan 8.270 nan 0.000 0.428 345 L N 1.750 122.906 121.223 -0.111 0.000 1.990 345 L HA -0.215 4.134 4.340 0.015 0.000 0.213 345 L C 1.552 178.414 176.870 -0.013 0.000 1.072 345 L CA 2.102 56.912 54.840 -0.051 0.000 0.755 345 L CB -0.803 41.202 42.059 -0.091 0.000 0.889 345 L HN 0.078 nan 8.230 nan 0.000 0.432 346 D N -0.259 120.110 120.400 -0.052 0.000 2.104 346 D HA -0.247 4.402 4.640 0.015 0.000 0.194 346 D C 2.141 178.443 176.300 0.003 0.000 0.994 346 D CA 1.640 55.622 54.000 -0.029 0.000 0.830 346 D CB -0.202 40.562 40.800 -0.059 0.000 0.959 346 D HN 0.453 nan 8.370 nan 0.000 0.452 347 K N 0.819 121.232 120.400 0.021 0.000 2.057 347 K HA -0.107 4.221 4.320 0.015 0.000 0.207 347 K C 2.025 178.741 176.600 0.192 0.000 1.049 347 K CA 0.840 57.163 56.287 0.060 0.000 0.931 347 K CB -0.036 32.528 32.500 0.107 0.000 0.714 347 K HN -0.045 nan 8.250 nan 0.000 0.440 348 V N 1.971 122.021 119.914 0.225 0.000 2.343 348 V HA -0.255 3.874 4.120 0.015 0.000 0.247 348 V C 2.374 178.600 176.094 0.220 0.000 1.051 348 V CA 1.564 64.034 62.300 0.284 0.000 1.036 348 V CB -0.355 31.578 31.823 0.184 0.000 0.654 348 V HN 0.324 nan 8.190 nan 0.000 0.451 349 L N 0.320 121.617 121.223 0.123 0.000 2.093 349 L HA -0.071 4.277 4.340 0.015 0.000 0.208 349 L C 2.677 179.590 176.870 0.071 0.000 1.085 349 L CA 1.609 56.501 54.840 0.087 0.000 0.755 349 L CB -1.181 40.907 42.059 0.048 0.000 0.904 349 L HN 0.474 nan 8.230 nan 0.000 0.435 350 G N -0.225 108.595 108.800 0.032 0.000 2.469 350 G HA2 -0.297 3.672 3.960 0.015 0.000 0.220 350 G HA3 -0.297 3.672 3.960 0.015 0.000 0.220 350 G C 1.382 176.256 174.900 -0.043 0.000 1.136 350 G CA 0.638 45.714 45.100 -0.040 0.000 0.759 350 G HN 0.191 nan 8.290 nan 0.000 0.562 351 F N 0.419 120.391 119.950 0.037 0.000 2.134 351 F HA -0.041 4.495 4.527 0.015 0.000 0.299 351 F C 2.858 178.680 175.800 0.036 0.000 1.097 351 F CA 0.858 58.883 58.000 0.041 0.000 1.264 351 F CB -0.409 38.624 39.000 0.054 0.000 1.001 351 F HN -0.010 nan 8.300 nan 0.000 0.479 352 V N -0.437 119.607 119.914 0.217 0.000 2.427 352 V HA -0.258 3.871 4.120 0.015 0.000 0.248 352 V C 2.517 178.664 176.094 0.088 0.000 1.051 352 V CA 1.591 63.971 62.300 0.134 0.000 1.048 352 V CB -1.292 30.592 31.823 0.102 0.000 0.666 352 V HN 0.342 nan 8.190 nan 0.000 0.456 353 A N -0.734 122.125 122.820 0.065 0.000 1.902 353 A HA -0.299 4.030 4.320 0.015 0.000 0.217 353 A C 2.263 179.867 177.584 0.033 0.000 1.181 353 A CA 2.044 54.103 52.037 0.037 0.000 0.623 353 A CB -0.555 18.455 19.000 0.017 0.000 0.818 353 A HN 0.569 nan 8.150 nan 0.000 0.443 354 Q N -0.569 119.250 119.800 0.031 0.000 2.124 354 Q HA -0.145 4.203 4.340 0.015 0.000 0.202 354 Q C 2.184 178.219 176.000 0.058 0.000 0.977 354 Q CA 1.467 57.287 55.803 0.028 0.000 0.850 354 Q CB -0.309 28.428 28.738 -0.001 0.000 0.901 354 Q HN 0.619 nan 8.270 nan 0.000 0.429 355 A N 1.868 124.741 122.820 0.089 0.000 1.902 355 A HA -0.223 4.106 4.320 0.015 0.000 0.217 355 A C 1.939 179.556 177.584 0.055 0.000 1.181 355 A CA 1.800 53.887 52.037 0.083 0.000 0.623 355 A CB -0.448 18.608 19.000 0.093 0.000 0.818 355 A HN 0.525 nan 8.150 nan 0.000 0.443 356 K N 0.046 120.475 120.400 0.047 0.000 2.148 356 K HA -0.075 4.254 4.320 0.015 0.000 0.204 356 K C 1.654 178.270 176.600 0.028 0.000 1.050 356 K CA 1.340 57.648 56.287 0.034 0.000 0.942 356 K CB -0.236 32.282 32.500 0.029 0.000 0.724 356 K HN 0.374 nan 8.250 nan 0.000 0.446 357 K N 1.330 121.747 120.400 0.027 0.000 2.211 357 K HA -0.106 4.223 4.320 0.015 0.000 0.203 357 K C 1.667 178.282 176.600 0.024 0.000 1.050 357 K CA 1.446 57.746 56.287 0.022 0.000 0.945 357 K CB 0.032 32.542 32.500 0.017 0.000 0.732 357 K HN 0.366 nan 8.250 nan 0.000 0.451 358 E N -0.795 119.424 120.200 0.032 0.000 2.442 358 E HA 0.020 4.378 4.350 0.015 0.000 0.195 358 E C 1.075 177.694 176.600 0.031 0.000 1.030 358 E CA 0.517 56.937 56.400 0.033 0.000 0.869 358 E CB 0.596 30.322 29.700 0.043 0.000 0.857 358 E HN 0.496 nan 8.360 nan 0.000 0.505 359 G N 0.933 109.750 108.800 0.029 0.000 2.485 359 G HA2 -0.132 3.837 3.960 0.015 0.000 0.181 359 G HA3 -0.132 3.837 3.960 0.015 0.000 0.181 359 G C 0.394 175.309 174.900 0.026 0.000 0.999 359 G CA -0.250 44.865 45.100 0.026 0.000 0.721 359 G HN 0.396 nan 8.290 nan 0.000 0.486 360 A N 0.707 123.545 122.820 0.030 0.000 2.425 360 A HA 0.646 4.974 4.320 0.015 0.000 0.242 360 A C 0.625 178.225 177.584 0.026 0.000 1.077 360 A CA 0.268 52.322 52.037 0.029 0.000 0.781 360 A CB 0.335 19.356 19.000 0.036 0.000 1.020 360 A HN 0.361 nan 8.150 nan 0.000 0.494 361 R N 1.899 122.413 120.500 0.022 0.000 2.265 361 R HA 0.400 4.748 4.340 0.015 0.000 0.328 361 R C -1.297 175.016 176.300 0.022 0.000 0.969 361 R CA -0.373 55.739 56.100 0.020 0.000 0.832 361 R CB 1.000 31.310 30.300 0.017 0.000 1.139 361 R HN 0.520 nan 8.270 nan 0.000 0.457 362 V N 7.286 127.213 119.914 0.021 0.000 2.439 362 V HA 0.040 4.169 4.120 0.015 0.000 0.271 362 V C 1.567 177.670 176.094 0.015 0.000 1.040 362 V CA 0.187 62.500 62.300 0.022 0.000 1.002 362 V CB 1.058 32.895 31.823 0.022 0.000 1.000 362 V HN 0.766 nan 8.190 nan 0.000 0.477 363 L N 4.540 125.772 121.223 0.015 0.000 2.375 363 L HA 0.197 4.546 4.340 0.015 0.000 0.215 363 L C 0.740 177.608 176.870 -0.003 0.000 1.108 363 L CA 0.471 55.315 54.840 0.006 0.000 0.830 363 L CB 0.279 42.343 42.059 0.009 0.000 0.959 363 L HN 0.903 nan 8.230 nan 0.000 0.457 364 C N -3.523 115.777 119.300 -0.000 0.000 3.275 364 C HA 0.677 5.146 4.460 0.015 0.000 0.345 364 C C 0.583 175.567 174.990 -0.011 0.000 1.257 364 C CA -0.811 58.198 59.018 -0.015 0.000 1.203 364 C CB 0.608 28.327 27.740 -0.035 0.000 1.492 364 C HN 0.592 nan 8.230 nan 0.000 0.484 365 G N 0.600 109.387 108.800 -0.023 0.000 2.598 365 G HA2 0.387 4.356 3.960 0.015 0.000 0.269 365 G HA3 0.387 4.356 3.960 0.015 0.000 0.269 365 G C 1.206 176.110 174.900 0.007 0.000 1.289 365 G CA 1.736 46.824 45.100 -0.020 0.000 0.926 365 G HN 3.419 nan 8.290 nan 0.000 0.567 366 G N -1.388 107.425 108.800 0.021 0.000 2.132 366 G HA2 0.060 4.029 3.960 0.015 0.000 0.228 366 G HA3 0.060 4.029 3.960 0.015 0.000 0.228 366 G C -0.015 174.907 174.900 0.038 0.000 1.000 366 G CA 1.519 46.644 45.100 0.041 0.000 0.693 366 G HN 1.236 nan 8.290 nan 0.000 0.515 367 E N -0.110 120.108 120.200 0.030 0.000 2.393 367 E HA 0.496 4.855 4.350 0.015 0.000 0.273 367 E C -2.694 173.929 176.600 0.038 0.000 0.918 367 E CA -2.334 54.083 56.400 0.029 0.000 0.773 367 E CB 2.528 32.238 29.700 0.017 0.000 1.275 367 E HN 0.067 nan 8.360 nan 0.000 0.451 368 P HA 0.059 nan 4.420 nan 0.000 0.269 368 P C -0.947 176.384 177.300 0.052 0.000 1.217 368 P CA 0.088 63.221 63.100 0.055 0.000 0.783 368 P CB 0.520 32.247 31.700 0.045 0.000 0.898 369 L N 0.595 121.866 121.223 0.080 0.000 2.482 369 L HA 0.520 4.869 4.340 0.015 0.000 0.263 369 L C -1.253 175.640 176.870 0.038 0.000 0.957 369 L CA -0.234 54.631 54.840 0.041 0.000 0.836 369 L CB 2.197 44.273 42.059 0.029 0.000 1.324 369 L HN 0.233 nan 8.230 nan 0.000 0.406 370 T N 3.821 118.357 114.554 -0.030 0.000 2.864 370 T HA 0.491 4.850 4.350 0.015 0.000 0.310 370 T C -2.513 172.096 174.700 -0.152 0.000 1.040 370 T CA -1.026 61.037 62.100 -0.062 0.000 0.977 370 T CB 1.103 69.956 68.868 -0.025 0.000 0.976 370 T HN 0.412 nan 8.240 nan 0.000 0.459 371 P HA 0.259 nan 4.420 nan 0.000 0.270 371 P C 0.845 178.032 177.300 -0.187 0.000 1.223 371 P CA -0.301 62.608 63.100 -0.319 0.000 0.785 371 P CB 0.584 31.954 31.700 -0.551 0.000 0.923 372 S N -0.639 114.971 115.700 -0.150 0.000 2.359 372 S HA -0.139 4.339 4.470 0.015 0.000 0.224 372 S C 0.788 175.335 174.600 -0.089 0.000 1.035 372 S CA 1.185 59.325 58.200 -0.100 0.000 1.018 372 S CB -0.765 62.385 63.200 -0.084 0.000 0.876 372 S HN 0.670 nan 8.310 nan 0.000 0.448 373 D N 2.193 122.534 120.400 -0.099 0.000 2.451 373 D HA 0.042 4.690 4.640 0.015 0.000 0.254 373 D C -1.908 174.356 176.300 -0.060 0.000 1.204 373 D CA -1.667 52.290 54.000 -0.072 0.000 0.896 373 D CB 1.015 41.771 40.800 -0.072 0.000 1.136 373 D HN 0.026 nan 8.370 nan 0.000 0.499 374 P HA -0.126 nan 4.420 nan 0.000 0.225 374 P C 0.740 178.032 177.300 -0.014 0.000 1.148 374 P CA 1.282 64.366 63.100 -0.026 0.000 0.779 374 P CB 0.042 31.730 31.700 -0.020 0.000 0.780 375 K N -1.472 118.921 120.400 -0.012 0.000 2.418 375 K HA 0.060 4.389 4.320 0.015 0.000 0.195 375 K C 1.095 177.706 176.600 0.017 0.000 1.035 375 K CA 0.735 57.022 56.287 0.000 0.000 1.003 375 K CB -0.474 32.026 32.500 -0.000 0.000 0.793 375 K HN 0.015 nan 8.250 nan 0.000 0.494 376 L N 0.682 121.919 121.223 0.024 0.000 2.640 376 L HA 0.234 4.583 4.340 0.015 0.000 0.230 376 L C 1.402 178.343 176.870 0.118 0.000 1.123 376 L CA 0.730 55.629 54.840 0.097 0.000 0.900 376 L CB 0.186 42.245 42.059 0.000 0.000 1.146 376 L HN -0.044 nan 8.230 nan 0.000 0.484 377 K N 0.170 120.596 120.400 0.043 0.000 2.147 377 K HA -0.037 4.291 4.320 0.015 0.000 0.205 377 K C 1.200 177.836 176.600 0.060 0.000 1.049 377 K CA 1.245 57.554 56.287 0.037 0.000 0.936 377 K CB -0.179 32.328 32.500 0.011 0.000 0.722 377 K HN 0.354 nan 8.250 nan 0.000 0.446 378 N N -0.258 118.462 118.700 0.032 0.000 2.276 378 N HA 0.112 4.860 4.740 0.015 0.000 0.212 378 N C 0.080 175.527 175.510 -0.106 0.000 1.127 378 N CA -0.270 52.778 53.050 -0.002 0.000 0.834 378 N CB 0.832 39.309 38.487 -0.017 0.000 1.014 378 N HN 0.116 nan 8.380 nan 0.000 0.491 379 G N -0.237 108.540 108.800 -0.037 0.000 2.616 379 G HA2 0.083 4.052 3.960 0.015 0.000 0.268 379 G HA3 0.083 4.052 3.960 0.015 0.000 0.268 379 G C -0.733 173.952 174.900 -0.359 0.000 1.213 379 G CA -0.296 44.581 45.100 -0.370 0.000 0.926 379 G HN 0.233 nan 8.290 nan 0.000 0.523 380 Y N 0.318 120.324 120.300 -0.491 0.000 2.812 380 Y HA 0.397 4.956 4.550 0.014 0.000 0.354 380 Y C -0.304 175.382 175.900 -0.358 0.000 1.276 380 Y CA -1.478 56.423 58.100 -0.333 0.000 1.639 380 Y CB -0.716 37.562 38.460 -0.303 0.000 1.741 380 Y HN 0.150 nan 8.280 nan 0.000 0.479 381 F N 2.440 122.434 119.950 0.073 0.000 2.425 381 F HA 0.685 5.221 4.527 0.015 0.000 0.331 381 F C 0.318 176.132 175.800 0.024 0.000 1.085 381 F CA -1.091 56.927 58.000 0.029 0.000 1.028 381 F CB 1.439 40.435 39.000 -0.006 0.000 1.177 381 F HN 0.145 nan 8.300 nan 0.000 0.487 382 M N 0.174 119.905 119.600 0.218 0.000 2.622 382 M HA 0.674 5.163 4.480 0.015 0.000 0.276 382 M C -1.322 175.025 176.300 0.077 0.000 1.265 382 M CA -0.887 54.484 55.300 0.118 0.000 0.850 382 M CB 2.320 34.971 32.600 0.085 0.000 1.720 382 M HN 0.433 nan 8.290 nan 0.000 0.465 383 S N 0.521 116.238 115.700 0.028 0.000 2.525 383 S HA 0.688 5.167 4.470 0.015 0.000 0.278 383 S C -2.666 171.903 174.600 -0.051 0.000 1.234 383 S CA -1.238 56.947 58.200 -0.025 0.000 1.058 383 S CB 0.398 63.576 63.200 -0.037 0.000 0.983 383 S HN 0.609 nan 8.310 nan 0.000 0.495 384 P HA 0.169 nan 4.420 nan 0.000 0.266 384 P C -0.570 176.644 177.300 -0.144 0.000 1.195 384 P CA -0.334 62.623 63.100 -0.240 0.000 0.768 384 P CB 0.334 31.615 31.700 -0.698 0.000 0.838 385 C N 3.599 122.927 119.300 0.047 0.000 2.498 385 C HA 0.583 5.051 4.460 0.015 0.000 0.316 385 C C -0.669 174.422 174.990 0.168 0.000 1.209 385 C CA -0.316 58.752 59.018 0.083 0.000 1.518 385 C CB 0.870 28.660 27.740 0.083 0.000 2.147 385 C HN 0.375 nan 8.230 nan 0.000 0.483 386 V N 7.062 127.040 119.914 0.106 0.000 2.448 386 V HA 0.517 4.646 4.120 0.015 0.000 0.295 386 V C -0.291 175.837 176.094 0.057 0.000 1.025 386 V CA -0.353 62.009 62.300 0.103 0.000 0.859 386 V CB 1.491 33.368 31.823 0.090 0.000 0.988 386 V HN 0.781 nan 8.190 nan 0.000 0.431 387 L N 3.714 124.963 121.223 0.044 0.000 2.334 387 L HA 0.727 5.076 4.340 0.015 0.000 0.276 387 L C -0.646 176.236 176.870 0.020 0.000 1.014 387 L CA -0.378 54.479 54.840 0.029 0.000 0.815 387 L CB 1.989 44.062 42.059 0.023 0.000 1.268 387 L HN 0.550 nan 8.230 nan 0.000 0.428 388 D N 0.496 120.908 120.400 0.019 0.000 2.493 388 D HA 0.308 4.957 4.640 0.015 0.000 0.239 388 D C -0.318 175.990 176.300 0.013 0.000 1.049 388 D CA -0.412 53.598 54.000 0.016 0.000 1.008 388 D CB 1.530 42.343 40.800 0.021 0.000 1.398 388 D HN 0.471 nan 8.370 nan 0.000 0.513 389 N N -0.638 118.069 118.700 0.012 0.000 2.758 389 N HA -0.169 4.580 4.740 0.015 0.000 0.248 389 N C -1.243 174.276 175.510 0.014 0.000 1.076 389 N CA 0.483 53.541 53.050 0.014 0.000 0.696 389 N CB -1.119 37.377 38.487 0.016 0.000 0.979 389 N HN 0.282 nan 8.380 nan 0.000 0.550 390 C N -0.221 119.082 119.300 0.006 0.000 2.335 390 C HA 0.705 5.173 4.460 0.015 0.000 0.363 390 C C 0.979 175.978 174.990 0.015 0.000 1.198 390 C CA -0.519 58.502 59.018 0.003 0.000 2.279 390 C CB 1.415 29.140 27.740 -0.025 0.000 2.334 390 C HN 0.394 nan 8.230 nan 0.000 0.559 391 R N 0.492 121.007 120.500 0.025 0.000 2.837 391 R HA 0.280 4.628 4.340 0.015 0.000 0.271 391 R C 0.004 176.335 176.300 0.053 0.000 0.993 391 R CA -0.703 55.423 56.100 0.043 0.000 0.931 391 R CB 1.135 31.462 30.300 0.044 0.000 1.206 391 R HN 0.606 nan 8.270 nan 0.000 0.474 392 D N 0.706 121.152 120.400 0.076 0.000 2.263 392 D HA -0.165 4.484 4.640 0.015 0.000 0.208 392 D C 0.997 177.344 176.300 0.078 0.000 0.971 392 D CA 1.394 55.450 54.000 0.093 0.000 0.867 392 D CB 0.124 40.991 40.800 0.112 0.000 0.929 392 D HN 0.572 nan 8.370 nan 0.000 0.492 393 D N -0.861 119.578 120.400 0.065 0.000 2.350 393 D HA -0.073 4.576 4.640 0.015 0.000 0.213 393 D C 0.806 177.143 176.300 0.062 0.000 1.031 393 D CA -0.093 53.943 54.000 0.060 0.000 0.861 393 D CB 0.032 40.862 40.800 0.050 0.000 0.926 393 D HN 0.159 nan 8.370 nan 0.000 0.520 394 M N 0.904 120.541 119.600 0.062 0.000 2.245 394 M HA 0.023 4.511 4.480 0.015 0.000 0.330 394 M C 1.333 177.686 176.300 0.088 0.000 1.098 394 M CA 0.088 55.429 55.300 0.067 0.000 1.172 394 M CB 1.132 33.766 32.600 0.057 0.000 1.467 394 M HN -0.198 nan 8.290 nan 0.000 0.454 395 T N 1.012 115.633 114.554 0.111 0.000 2.788 395 T HA -0.142 4.216 4.350 0.015 0.000 0.268 395 T C 1.593 176.404 174.700 0.185 0.000 1.044 395 T CA 1.789 63.987 62.100 0.162 0.000 1.139 395 T CB -0.402 68.578 68.868 0.188 0.000 0.867 395 T HN 0.941 nan 8.240 nan 0.000 0.454 396 C N 0.640 120.030 119.300 0.150 0.000 2.468 396 C HA 0.223 4.691 4.460 0.015 0.000 0.277 396 C C 2.469 177.468 174.990 0.015 0.000 1.400 396 C CA -0.426 58.644 59.018 0.086 0.000 1.770 396 C CB -1.388 26.405 27.740 0.089 0.000 1.905 396 C HN 0.289 nan 8.230 nan 0.000 0.519 397 V N 1.055 120.991 119.914 0.036 0.000 2.878 397 V HA -0.025 4.104 4.120 0.015 0.000 0.250 397 V C 2.602 178.733 176.094 0.062 0.000 1.075 397 V CA 1.672 63.983 62.300 0.018 0.000 1.096 397 V CB -0.517 31.317 31.823 0.019 0.000 0.724 397 V HN 0.571 nan 8.190 nan 0.000 0.467 398 K N -0.216 120.243 120.400 0.099 0.000 2.242 398 K HA 0.119 4.448 4.320 0.015 0.000 0.200 398 K C 0.500 177.226 176.600 0.209 0.000 1.050 398 K CA 0.386 56.762 56.287 0.148 0.000 0.981 398 K CB 0.281 32.860 32.500 0.131 0.000 0.795 398 K HN 0.428 nan 8.250 nan 0.000 0.477 399 E N 1.665 121.960 120.200 0.159 0.000 2.214 399 E HA 0.073 4.431 4.350 0.015 0.000 0.274 399 E C -0.923 175.681 176.600 0.007 0.000 0.977 399 E CA -0.369 56.139 56.400 0.179 0.000 0.827 399 E CB 1.687 31.524 29.700 0.228 0.000 1.130 399 E HN 0.113 nan 8.360 nan 0.000 0.394 400 E N 2.872 123.095 120.200 0.039 0.000 2.299 400 E HA 0.034 4.393 4.350 0.015 0.000 0.272 400 E C 0.376 176.872 176.600 -0.173 0.000 1.043 400 E CA -0.041 56.293 56.400 -0.109 0.000 0.895 400 E CB 0.378 30.003 29.700 -0.124 0.000 1.011 400 E HN 0.496 nan 8.360 nan 0.000 0.432 401 I N 4.175 124.582 120.570 -0.272 0.000 2.628 401 I HA -0.025 4.154 4.170 0.015 0.000 0.255 401 I C 0.423 176.563 176.117 0.039 0.000 1.119 401 I CA 0.034 61.069 61.300 -0.441 0.000 1.448 401 I CB 0.092 37.794 38.000 -0.497 0.000 1.133 401 I HN 0.695 nan 8.210 nan 0.000 0.438 402 F N 1.662 121.553 119.950 -0.100 0.000 3.058 402 F HA -0.157 4.378 4.527 0.014 0.000 0.295 402 F C 0.337 176.188 175.800 0.084 0.000 0.875 402 F CA 0.593 58.605 58.000 0.019 0.000 1.150 402 F CB -1.301 37.754 39.000 0.090 0.000 1.175 402 F HN 0.168 nan 8.300 nan 0.000 0.599 403 G N -0.486 108.340 108.800 0.043 0.000 2.727 403 G HA2 0.673 4.642 3.960 0.015 0.000 0.289 403 G HA3 0.673 4.642 3.960 0.015 0.000 0.289 403 G C -3.139 171.785 174.900 0.039 0.000 1.418 403 G CA -0.845 44.288 45.100 0.055 0.000 0.818 403 G HN -0.129 nan 8.290 nan 0.000 0.486 404 P HA 0.342 nan 4.420 nan 0.000 0.238 404 P C -0.744 176.733 177.300 0.295 0.000 1.794 404 P CA -0.181 63.080 63.100 0.267 0.000 1.088 404 P CB 0.563 32.449 31.700 0.310 0.000 1.923 405 V N 4.475 124.467 119.914 0.131 0.000 2.419 405 V HA 0.297 4.426 4.120 0.015 0.000 0.287 405 V C 0.264 176.345 176.094 -0.020 0.000 1.017 405 V CA -0.569 61.782 62.300 0.086 0.000 0.844 405 V CB 1.904 33.749 31.823 0.037 0.000 1.011 405 V HN 0.415 nan 8.190 nan 0.000 0.429 406 M N 3.547 123.145 119.600 -0.004 0.000 2.180 406 M HA 0.463 4.952 4.480 0.015 0.000 0.358 406 M C -0.172 176.094 176.300 -0.057 0.000 1.233 406 M CA 0.282 55.520 55.300 -0.102 0.000 1.114 406 M CB 1.074 33.607 32.600 -0.112 0.000 1.594 406 M HN 0.604 nan 8.290 nan 0.000 0.467 407 S N 3.946 119.585 115.700 -0.101 0.000 2.437 407 S HA 0.591 5.070 4.470 0.015 0.000 0.305 407 S C -0.739 173.778 174.600 -0.138 0.000 1.109 407 S CA -0.813 57.329 58.200 -0.096 0.000 1.099 407 S CB 1.436 64.569 63.200 -0.111 0.000 1.004 407 S HN 0.588 nan 8.310 nan 0.000 0.475 408 V N 4.593 124.452 119.914 -0.092 0.000 2.555 408 V HA 0.639 4.767 4.120 0.015 0.000 0.302 408 V C -0.793 175.229 176.094 -0.119 0.000 1.038 408 V CA -0.683 61.557 62.300 -0.101 0.000 0.887 408 V CB 1.285 33.125 31.823 0.027 0.000 0.991 408 V HN 0.697 nan 8.190 nan 0.000 0.434 409 L N 6.356 127.479 121.223 -0.166 0.000 2.445 409 L HA 0.639 4.988 4.340 0.015 0.000 0.262 409 L C -2.630 174.262 176.870 0.037 0.000 0.974 409 L CA -1.363 53.429 54.840 -0.081 0.000 0.822 409 L CB 2.770 44.740 42.059 -0.148 0.000 1.339 409 L HN 0.417 nan 8.230 nan 0.000 0.409 410 P HA 0.482 nan 4.420 nan 0.000 0.278 410 P C -1.381 176.041 177.300 0.204 0.000 1.258 410 P CA -0.337 62.795 63.100 0.053 0.000 0.811 410 P CB 1.257 32.959 31.700 0.003 0.000 1.063 411 F N -1.250 118.703 119.950 0.006 0.000 2.645 411 F HA 0.516 5.052 4.527 0.015 0.000 0.310 411 F C -0.084 175.697 175.800 -0.032 0.000 1.102 411 F CA -0.834 57.161 58.000 -0.008 0.000 0.952 411 F CB 0.811 39.783 39.000 -0.046 0.000 1.326 411 F HN 0.083 nan 8.300 nan 0.000 0.456 412 D N 0.063 120.561 120.400 0.162 0.000 2.463 412 D HA 0.087 4.736 4.640 0.015 0.000 0.237 412 D C 0.455 176.873 176.300 0.197 0.000 1.013 412 D CA 1.359 55.387 54.000 0.047 0.000 0.910 412 D CB 0.939 41.766 40.800 0.045 0.000 1.080 412 D HN 0.690 nan 8.370 nan 0.000 0.498 413 T N -2.153 112.605 114.554 0.340 0.000 2.901 413 T HA 0.296 4.654 4.350 0.015 0.000 0.293 413 T C 0.783 175.663 174.700 0.300 0.000 1.084 413 T CA -0.752 61.524 62.100 0.294 0.000 1.008 413 T CB 3.127 72.089 68.868 0.156 0.000 1.170 413 T HN -0.158 nan 8.240 nan 0.000 0.509 414 E N 0.390 120.776 120.200 0.310 0.000 2.077 414 E HA -0.225 4.134 4.350 0.015 0.000 0.193 414 E C 1.724 178.358 176.600 0.058 0.000 0.989 414 E CA 1.554 58.106 56.400 0.254 0.000 0.800 414 E CB -0.037 29.811 29.700 0.248 0.000 0.746 414 E HN 0.860 nan 8.360 nan 0.000 0.452 415 E N 0.504 120.735 120.200 0.052 0.000 2.153 415 E HA -0.244 4.115 4.350 0.015 0.000 0.194 415 E C 2.063 178.647 176.600 -0.027 0.000 0.988 415 E CA 1.204 57.608 56.400 0.007 0.000 0.811 415 E CB -0.052 29.660 29.700 0.020 0.000 0.746 415 E HN 0.320 nan 8.360 nan 0.000 0.466 416 E N 0.302 120.493 120.200 -0.015 0.000 2.015 416 E HA -0.176 4.183 4.350 0.015 0.000 0.191 416 E C 2.206 178.705 176.600 -0.168 0.000 0.991 416 E CA 2.001 58.375 56.400 -0.043 0.000 0.802 416 E CB 0.009 29.726 29.700 0.029 0.000 0.759 416 E HN 0.283 nan 8.360 nan 0.000 0.447 417 V N 0.785 120.506 119.914 -0.322 0.000 2.332 417 V HA -0.267 3.862 4.120 0.015 0.000 0.248 417 V C 2.735 178.509 176.094 -0.533 0.000 1.055 417 V CA 1.595 63.491 62.300 -0.673 0.000 1.038 417 V CB -0.998 30.095 31.823 -1.218 0.000 0.651 417 V HN 0.228 nan 8.190 nan 0.000 0.450 418 L N 0.835 121.867 121.223 -0.317 0.000 2.079 418 L HA -0.272 4.077 4.340 0.015 0.000 0.210 418 L C 2.974 179.744 176.870 -0.167 0.000 1.081 418 L CA 2.365 57.082 54.840 -0.205 0.000 0.752 418 L CB -0.587 41.410 42.059 -0.103 0.000 0.896 418 L HN 0.584 nan 8.230 nan 0.000 0.433 419 Q N -0.074 119.643 119.800 -0.139 0.000 2.119 419 Q HA -0.188 4.161 4.340 0.015 0.000 0.201 419 Q C 2.053 177.990 176.000 -0.104 0.000 0.972 419 Q CA 1.340 57.089 55.803 -0.090 0.000 0.847 419 Q CB -0.321 28.385 28.738 -0.054 0.000 0.903 419 Q HN 0.319 nan 8.270 nan 0.000 0.433 420 R N 0.488 120.881 120.500 -0.180 0.000 2.115 420 R HA 0.136 4.485 4.340 0.015 0.000 0.226 420 R C 2.405 178.613 176.300 -0.153 0.000 1.100 420 R CA 1.045 57.059 56.100 -0.144 0.000 0.980 420 R CB -0.451 29.756 30.300 -0.154 0.000 0.875 420 R HN 0.416 nan 8.270 nan 0.000 0.445 421 A N 1.524 124.136 122.820 -0.346 0.000 1.930 421 A HA -0.126 4.203 4.320 0.015 0.000 0.217 421 A C 1.628 179.201 177.584 -0.019 0.000 1.175 421 A CA 1.331 53.260 52.037 -0.180 0.000 0.627 421 A CB -0.258 18.578 19.000 -0.273 0.000 0.815 421 A HN 0.198 nan 8.150 nan 0.000 0.443 422 N N -0.073 118.606 118.700 -0.035 0.000 2.463 422 N HA -0.053 4.696 4.740 0.015 0.000 0.181 422 N C 0.426 175.958 175.510 0.035 0.000 1.078 422 N CA 0.221 53.278 53.050 0.012 0.000 0.902 422 N CB -0.558 37.928 38.487 -0.002 0.000 0.970 422 N HN 0.627 nan 8.380 nan 0.000 0.451 423 N N 0.911 119.630 118.700 0.030 0.000 2.971 423 N HA -0.012 4.737 4.740 0.015 0.000 0.294 423 N C -0.821 174.729 175.510 0.067 0.000 1.210 423 N CA 0.144 53.218 53.050 0.040 0.000 1.157 423 N CB 0.133 38.641 38.487 0.035 0.000 1.450 423 N HN -0.029 nan 8.380 nan 0.000 0.527 424 T N -1.061 113.535 114.554 0.070 0.000 2.786 424 T HA 0.077 4.436 4.350 0.015 0.000 0.316 424 T C 0.420 175.146 174.700 0.044 0.000 1.503 424 T CA -0.484 61.667 62.100 0.085 0.000 1.019 424 T CB 1.564 70.541 68.868 0.180 0.000 1.415 424 T HN 0.029 nan 8.240 nan 0.000 0.496 425 T N 1.251 115.780 114.554 -0.041 0.000 3.060 425 T HA 0.381 4.740 4.350 0.015 0.000 0.249 425 T C -0.023 174.629 174.700 -0.080 0.000 1.079 425 T CA 0.017 62.057 62.100 -0.099 0.000 1.013 425 T CB -0.406 68.348 68.868 -0.190 0.000 0.975 425 T HN 0.367 nan 8.240 nan 0.000 0.518 426 F N 0.718 120.700 119.950 0.053 0.000 2.380 426 F HA 0.590 5.125 4.527 0.014 0.000 0.325 426 F C 1.386 177.224 175.800 0.063 0.000 1.136 426 F CA -0.761 57.273 58.000 0.056 0.000 1.171 426 F CB 1.169 40.203 39.000 0.057 0.000 1.230 426 F HN -0.023 nan 8.300 nan 0.000 0.554 427 G N 1.756 110.726 108.800 0.284 0.000 5.114 427 G HA2 0.240 4.209 3.960 0.015 0.000 0.209 427 G HA3 0.240 4.209 3.960 0.015 0.000 0.209 427 G C -0.059 174.898 174.900 0.094 0.000 1.021 427 G CA -0.216 44.984 45.100 0.168 0.000 0.608 427 G HN 0.567 nan 8.290 nan 0.000 0.360 428 L N 0.669 121.940 121.223 0.081 0.000 2.062 428 L HA 0.799 5.148 4.340 0.015 0.000 0.202 428 L C 1.245 178.110 176.870 -0.009 0.000 1.079 428 L CA 2.252 57.110 54.840 0.030 0.000 0.755 428 L CB -0.135 41.965 42.059 0.069 0.000 0.913 428 L HN 0.447 nan 8.230 nan 0.000 0.445 429 A N -2.339 120.499 122.820 0.030 0.000 2.524 429 A HA 0.837 5.166 4.320 0.015 0.000 0.289 429 A C -0.779 176.825 177.584 0.033 0.000 1.248 429 A CA 0.204 52.232 52.037 -0.015 0.000 0.712 429 A CB 1.066 20.105 19.000 0.064 0.000 1.312 429 A HN 0.386 nan 8.150 nan 0.000 0.441 430 S N -2.218 113.491 115.700 0.015 0.000 2.683 430 S HA 0.862 5.341 4.470 0.015 0.000 0.269 430 S C -0.357 174.359 174.600 0.194 0.000 1.165 430 S CA -0.176 58.105 58.200 0.135 0.000 0.840 430 S CB 0.775 63.995 63.200 0.034 0.000 1.169 430 S HN 2.480 nan 8.310 nan 0.000 0.490 431 G N -0.990 107.981 108.800 0.286 0.000 2.646 431 G HA2 0.673 4.642 3.960 0.015 0.000 0.291 431 G HA3 0.673 4.642 3.960 0.015 0.000 0.291 431 G C -2.038 172.999 174.900 0.228 0.000 1.445 431 G CA -0.213 45.067 45.100 0.300 0.000 0.814 431 G HN 1.580 nan 8.290 nan 0.000 0.495 432 V N 0.249 120.240 119.914 0.129 0.000 2.733 432 V HA 0.797 4.926 4.120 0.015 0.000 0.306 432 V C -1.772 174.354 176.094 0.054 0.000 1.084 432 V CA -0.977 61.425 62.300 0.170 0.000 0.905 432 V CB 1.598 33.501 31.823 0.133 0.000 1.010 432 V HN 0.619 nan 8.190 nan 0.000 0.424 433 F N 4.784 124.863 119.950 0.216 0.000 2.402 433 F HA 0.824 5.361 4.527 0.017 0.000 0.355 433 F C 0.350 176.288 175.800 0.230 0.000 1.123 433 F CA -0.045 58.063 58.000 0.181 0.000 1.021 433 F CB 2.061 41.154 39.000 0.156 0.000 1.160 433 F HN 0.626 nan 8.300 nan 0.000 0.451 434 T N 2.635 117.331 114.554 0.237 0.000 2.827 434 T HA 0.327 4.685 4.350 0.015 0.000 0.328 434 T C 0.228 174.960 174.700 0.054 0.000 1.598 434 T CA -0.618 61.575 62.100 0.156 0.000 1.043 434 T CB 1.463 70.338 68.868 0.013 0.000 1.447 434 T HN 0.561 nan 8.240 nan 0.000 0.491 435 R N 0.772 121.293 120.500 0.036 0.000 2.254 435 R HA 0.193 4.542 4.340 0.015 0.000 0.193 435 R C -0.093 176.192 176.300 -0.024 0.000 0.929 435 R CA 0.057 56.165 56.100 0.013 0.000 1.038 435 R CB -0.199 30.123 30.300 0.037 0.000 1.009 435 R HN 0.680 nan 8.270 nan 0.000 0.512 436 D N 1.165 121.537 120.400 -0.047 0.000 2.417 436 D HA -0.018 4.631 4.640 0.015 0.000 0.250 436 D C 1.347 177.601 176.300 -0.077 0.000 1.166 436 D CA 0.014 53.979 54.000 -0.058 0.000 0.881 436 D CB 0.812 41.565 40.800 -0.078 0.000 1.164 436 D HN -0.007 nan 8.370 nan 0.000 0.467 437 I N 2.787 123.332 120.570 -0.042 0.000 2.252 437 I HA -0.246 3.933 4.170 0.015 0.000 0.245 437 I C 1.593 177.718 176.117 0.013 0.000 1.102 437 I CA 0.997 62.284 61.300 -0.022 0.000 1.385 437 I CB 0.084 38.112 38.000 0.047 0.000 1.064 437 I HN 0.366 nan 8.210 nan 0.000 0.414 438 S N 0.751 116.459 115.700 0.013 0.000 2.355 438 S HA -0.214 4.265 4.470 0.015 0.000 0.222 438 S C 1.988 176.565 174.600 -0.038 0.000 1.031 438 S CA 1.536 59.748 58.200 0.021 0.000 0.993 438 S CB -0.418 62.782 63.200 0.001 0.000 0.859 438 S HN 0.442 nan 8.310 nan 0.000 0.453 439 R N 1.444 121.879 120.500 -0.108 0.000 2.094 439 R HA -0.164 4.185 4.340 0.015 0.000 0.239 439 R C 2.390 178.574 176.300 -0.194 0.000 1.137 439 R CA 1.585 57.568 56.100 -0.195 0.000 0.943 439 R CB -0.668 29.434 30.300 -0.331 0.000 0.850 439 R HN 0.363 nan 8.270 nan 0.000 0.433 440 A N 0.657 123.350 122.820 -0.213 0.000 1.869 440 A HA -0.247 4.082 4.320 0.015 0.000 0.218 440 A C 2.042 179.481 177.584 -0.242 0.000 1.203 440 A CA 1.926 53.808 52.037 -0.258 0.000 0.638 440 A CB -1.069 17.706 19.000 -0.375 0.000 0.831 440 A HN 0.541 nan 8.150 nan 0.000 0.450 441 H N -1.276 117.758 119.070 -0.060 0.000 2.428 441 H HA -0.044 4.521 4.556 0.016 0.000 0.296 441 H C 2.252 177.552 175.328 -0.047 0.000 1.062 441 H CA 1.545 57.563 56.048 -0.049 0.000 1.350 441 H CB -0.196 29.541 29.762 -0.041 0.000 1.403 441 H HN 0.600 nan 8.280 nan 0.000 0.533 442 R N 0.864 121.394 120.500 0.050 0.000 2.075 442 R HA -0.077 4.272 4.340 0.015 0.000 0.232 442 R C 2.179 178.474 176.300 -0.009 0.000 1.126 442 R CA 1.051 57.158 56.100 0.011 0.000 0.963 442 R CB -0.170 30.121 30.300 -0.014 0.000 0.858 442 R HN 0.002 nan 8.270 nan 0.000 0.435 443 V N 1.162 121.056 119.914 -0.034 0.000 2.343 443 V HA -0.203 3.926 4.120 0.015 0.000 0.247 443 V C 2.454 178.540 176.094 -0.014 0.000 1.051 443 V CA 1.920 64.211 62.300 -0.016 0.000 1.036 443 V CB -0.550 31.275 31.823 0.003 0.000 0.654 443 V HN 0.573 nan 8.190 nan 0.000 0.451 444 A N -0.248 122.559 122.820 -0.021 0.000 1.972 444 A HA -0.074 4.255 4.320 0.015 0.000 0.219 444 A C 2.360 179.931 177.584 -0.021 0.000 1.169 444 A CA 1.908 53.927 52.037 -0.030 0.000 0.635 444 A CB -0.609 18.374 19.000 -0.028 0.000 0.810 444 A HN 0.570 nan 8.150 nan 0.000 0.446 445 A N -0.077 122.745 122.820 0.004 0.000 1.968 445 A HA -0.099 4.230 4.320 0.015 0.000 0.217 445 A C 1.742 179.330 177.584 0.007 0.000 1.169 445 A CA 1.467 53.510 52.037 0.010 0.000 0.638 445 A CB -0.365 18.647 19.000 0.020 0.000 0.812 445 A HN 0.518 nan 8.150 nan 0.000 0.446 446 N N -0.557 118.142 118.700 -0.001 0.000 2.373 446 N HA 0.088 4.837 4.740 0.015 0.000 0.181 446 N C -0.320 175.186 175.510 -0.007 0.000 1.082 446 N CA 0.104 53.154 53.050 -0.000 0.000 0.885 446 N CB -0.030 38.454 38.487 -0.006 0.000 0.977 446 N HN 0.232 nan 8.380 nan 0.000 0.462 447 L N 2.009 123.219 121.223 -0.023 0.000 2.360 447 L HA 0.107 4.456 4.340 0.015 0.000 0.276 447 L C 0.468 177.310 176.870 -0.046 0.000 1.121 447 L CA 0.013 54.831 54.840 -0.037 0.000 0.845 447 L CB 0.181 42.210 42.059 -0.050 0.000 1.143 447 L HN 0.007 nan 8.230 nan 0.000 0.452 448 E N 3.846 124.039 120.200 -0.010 0.000 1.892 448 E HA 0.505 4.864 4.350 0.015 0.000 0.271 448 E C -0.471 176.090 176.600 -0.065 0.000 1.146 448 E CA -0.184 56.242 56.400 0.043 0.000 1.096 448 E CB 0.410 30.179 29.700 0.114 0.000 1.155 448 E HN 0.648 nan 8.360 nan 0.000 0.458 449 A N 0.300 122.860 122.820 -0.433 0.000 2.612 449 A HA 0.589 4.918 4.320 0.015 0.000 0.293 449 A C 0.925 177.900 177.584 -1.016 0.000 1.075 449 A CA -0.384 51.340 52.037 -0.523 0.000 0.680 449 A CB 1.031 19.902 19.000 -0.216 0.000 1.279 449 A HN 0.431 nan 8.150 nan 0.000 0.411 450 G N -0.403 107.985 108.800 -0.687 0.000 2.422 450 G HA2 0.315 4.284 3.960 0.015 0.000 0.218 450 G HA3 0.315 4.284 3.960 0.015 0.000 0.218 450 G C 0.507 175.204 174.900 -0.339 0.000 1.140 450 G CA 1.724 46.523 45.100 -0.501 0.000 0.775 450 G HN 0.866 nan 8.290 nan 0.000 0.545 451 T N -0.799 113.568 114.554 -0.312 0.000 2.886 451 T HA 0.448 4.806 4.350 0.015 0.000 0.292 451 T C -1.297 173.146 174.700 -0.428 0.000 1.012 451 T CA -0.497 61.395 62.100 -0.347 0.000 0.982 451 T CB 2.188 70.842 68.868 -0.357 0.000 1.018 451 T HN 0.073 nan 8.240 nan 0.000 0.451 452 C N 4.397 123.435 119.300 -0.436 0.000 2.441 452 C HA 0.739 5.208 4.460 0.015 0.000 0.318 452 C C -1.388 173.325 174.990 -0.463 0.000 1.222 452 C CA -0.830 57.956 59.018 -0.386 0.000 1.474 452 C CB -0.634 26.985 27.740 -0.201 0.000 2.125 452 C HN 0.886 nan 8.230 nan 0.000 0.479 453 Y N 5.393 125.561 120.300 -0.220 0.000 2.320 453 Y HA 0.596 5.155 4.550 0.016 0.000 0.334 453 Y C 0.601 176.368 175.900 -0.222 0.000 1.055 453 Y CA -0.634 57.319 58.100 -0.245 0.000 1.143 453 Y CB 0.723 38.965 38.460 -0.364 0.000 1.193 453 Y HN 0.475 nan 8.280 nan 0.000 0.477 454 I N 4.306 124.826 120.570 -0.083 0.000 2.328 454 I HA 0.178 4.356 4.170 0.015 0.000 0.287 454 I C -0.307 175.628 176.117 -0.303 0.000 1.012 454 I CA -0.485 60.700 61.300 -0.193 0.000 1.195 454 I CB 0.678 38.574 38.000 -0.172 0.000 1.350 454 I HN 0.738 nan 8.210 nan 0.000 0.464 455 N N 2.602 120.919 118.700 -0.639 0.000 2.747 455 N HA -0.171 4.578 4.740 0.015 0.000 0.249 455 N C -0.204 174.949 175.510 -0.595 0.000 1.107 455 N CA 1.333 53.853 53.050 -0.883 0.000 0.707 455 N CB -0.730 37.583 38.487 -0.291 0.000 1.054 455 N HN 0.820 nan 8.380 nan 0.000 0.555 456 T N -2.063 112.177 114.554 -0.523 0.000 2.658 456 T HA 0.611 4.970 4.350 0.015 0.000 0.306 456 T C -2.343 172.376 174.700 0.031 0.000 1.544 456 T CA -0.473 61.604 62.100 -0.038 0.000 0.991 456 T CB 1.035 69.873 68.868 -0.050 0.000 1.774 456 T HN 0.093 nan 8.240 nan 0.000 0.479 457 Y N -0.107 120.051 120.300 -0.238 0.000 2.565 457 Y HA 0.453 5.013 4.550 0.017 0.000 0.330 457 Y C 0.458 175.904 175.900 -0.757 0.000 1.150 457 Y CA 0.305 58.058 58.100 -0.578 0.000 1.055 457 Y CB 1.839 40.199 38.460 -0.168 0.000 1.337 457 Y HN 0.845 nan 8.280 nan 0.000 0.457 458 S N 1.853 116.901 115.700 -1.087 0.000 3.382 458 S HA -0.168 4.311 4.470 0.015 0.000 0.293 458 S C -0.273 174.102 174.600 -0.376 0.000 1.262 458 S CA 0.693 58.606 58.200 -0.477 0.000 0.969 458 S CB -1.412 61.722 63.200 -0.110 0.000 1.136 458 S HN 0.438 nan 8.310 nan 0.000 0.635 459 I N 1.683 121.998 120.570 -0.426 0.000 2.696 459 I HA 0.286 4.465 4.170 0.015 0.000 0.284 459 I C 0.871 176.972 176.117 -0.028 0.000 1.129 459 I CA 0.140 61.358 61.300 -0.136 0.000 1.410 459 I CB 0.958 38.928 38.000 -0.050 0.000 1.399 459 I HN 0.137 nan 8.210 nan 0.000 0.579 460 S N 5.776 121.450 115.700 -0.044 0.000 2.216 460 S HA 0.357 4.836 4.470 0.015 0.000 0.156 460 S C -2.298 172.259 174.600 -0.072 0.000 1.665 460 S CA -0.851 57.318 58.200 -0.051 0.000 1.262 460 S CB 0.553 63.751 63.200 -0.003 0.000 1.207 460 S HN 0.451 nan 8.310 nan 0.000 0.427 461 P HA 0.140 nan 4.420 nan 0.000 0.276 461 P C 1.214 178.360 177.300 -0.256 0.000 1.230 461 P CA -0.553 62.465 63.100 -0.137 0.000 0.776 461 P CB 0.649 32.287 31.700 -0.104 0.000 0.888 462 V N 0.753 120.466 119.914 -0.335 0.000 2.720 462 V HA -0.212 3.917 4.120 0.015 0.000 0.256 462 V C 1.541 177.163 176.094 -0.786 0.000 1.082 462 V CA 1.494 63.440 62.300 -0.591 0.000 1.101 462 V CB -1.467 29.943 31.823 -0.688 0.000 0.693 462 V HN 0.367 nan 8.190 nan 0.000 0.479 463 E N 1.139 121.035 120.200 -0.507 0.000 2.268 463 E HA 0.046 4.404 4.350 0.015 0.000 0.195 463 E C 0.772 177.255 176.600 -0.196 0.000 0.995 463 E CA 1.010 57.203 56.400 -0.346 0.000 0.836 463 E CB -0.010 29.619 29.700 -0.118 0.000 0.763 463 E HN 0.814 nan 8.360 nan 0.000 0.491 464 V N -2.701 117.101 119.914 -0.186 0.000 2.864 464 V HA 0.586 4.715 4.120 0.015 0.000 0.314 464 V C -2.813 173.235 176.094 -0.077 0.000 1.073 464 V CA -3.145 59.103 62.300 -0.088 0.000 0.956 464 V CB 2.027 33.813 31.823 -0.061 0.000 1.023 464 V HN -0.243 nan 8.190 nan 0.000 0.435 465 P HA 0.454 nan 4.420 nan 0.000 0.274 465 P C -1.315 176.033 177.300 0.081 0.000 1.237 465 P CA 0.013 63.138 63.100 0.041 0.000 0.793 465 P CB 0.440 32.186 31.700 0.078 0.000 0.977 466 F N 0.910 120.809 119.950 -0.086 0.000 2.574 466 F HA 0.733 5.267 4.527 0.012 0.000 0.313 466 F C -0.507 175.268 175.800 -0.042 0.000 1.130 466 F CA -0.026 57.925 58.000 -0.083 0.000 0.936 466 F CB 1.714 40.643 39.000 -0.118 0.000 1.219 466 F HN 0.607 nan 8.300 nan 0.000 0.445 467 G N 2.333 110.587 108.800 -0.910 0.000 2.349 467 G HA2 0.480 4.448 3.960 0.015 0.000 0.294 467 G HA3 0.480 4.448 3.960 0.015 0.000 0.294 467 G C -1.241 173.385 174.900 -0.457 0.000 1.380 467 G CA -0.245 44.383 45.100 -0.787 0.000 0.811 467 G HN 1.044 nan 8.290 nan 0.000 0.519 468 G N -1.460 107.186 108.800 -0.256 0.000 2.504 468 G HA2 0.561 4.529 3.960 0.015 0.000 0.288 468 G HA3 0.561 4.529 3.960 0.015 0.000 0.288 468 G C -1.103 173.915 174.900 0.196 0.000 1.182 468 G CA -0.272 44.800 45.100 -0.047 0.000 0.894 468 G HN 0.400 nan 8.290 nan 0.000 0.521 469 Y N -0.007 120.279 120.300 -0.023 0.000 2.568 469 Y HA 0.429 4.986 4.550 0.012 0.000 0.327 469 Y C 1.395 177.319 175.900 0.040 0.000 1.163 469 Y CA -1.271 56.838 58.100 0.014 0.000 1.219 469 Y CB 1.439 39.906 38.460 0.013 0.000 1.308 469 Y HN 0.838 nan 8.280 nan 0.000 0.503 470 K N -0.391 120.107 120.400 0.163 0.000 2.004 470 K HA -0.328 4.001 4.320 0.015 0.000 0.116 470 K C 0.885 177.541 176.600 0.094 0.000 1.340 470 K CA 2.176 58.526 56.287 0.106 0.000 0.509 470 K CB -0.993 31.575 32.500 0.113 0.000 0.538 470 K HN 0.671 nan 8.250 nan 0.000 0.955 471 M N 0.931 120.570 119.600 0.065 0.000 2.628 471 M HA 0.005 4.494 4.480 0.015 0.000 0.232 471 M C 0.883 177.234 176.300 0.086 0.000 1.128 471 M CA 0.627 55.945 55.300 0.030 0.000 1.040 471 M CB 0.170 32.732 32.600 -0.063 0.000 1.608 471 M HN 0.277 nan 8.290 nan 0.000 0.507 472 S N 0.444 116.230 115.700 0.143 0.000 2.593 472 S HA 0.352 4.831 4.470 0.015 0.000 0.217 472 S C 0.876 175.488 174.600 0.020 0.000 0.966 472 S CA 0.413 58.703 58.200 0.150 0.000 0.914 472 S CB 0.114 63.410 63.200 0.160 0.000 0.776 472 S HN 0.778 nan 8.310 nan 0.000 0.523 473 G N 1.398 110.180 108.800 -0.030 0.000 2.409 473 G HA2 0.121 4.090 3.960 0.015 0.000 0.421 473 G HA3 0.121 4.090 3.960 0.015 0.000 0.421 473 G C -1.137 173.675 174.900 -0.148 0.000 1.259 473 G CA -0.532 44.436 45.100 -0.221 0.000 1.011 473 G HN 0.535 nan 8.290 nan 0.000 0.497 474 F N -2.155 117.753 119.950 -0.069 0.000 2.711 474 F HA 0.918 5.453 4.527 0.013 0.000 0.313 474 F C 0.567 176.235 175.800 -0.220 0.000 1.141 474 F CA -0.444 57.489 58.000 -0.111 0.000 0.941 474 F CB 1.155 40.110 39.000 -0.075 0.000 1.349 474 F HN 2.529 nan 8.300 nan 0.000 0.464 475 G N 1.304 110.066 108.800 -0.062 0.000 2.699 475 G HA2 0.345 4.314 3.960 0.015 0.000 0.686 475 G HA3 0.345 4.314 3.960 0.015 0.000 0.686 475 G C -1.691 172.887 174.900 -0.537 0.000 1.301 475 G CA -1.161 43.526 45.100 -0.689 0.000 0.816 475 G HN 0.811 nan 8.290 nan 0.000 0.595 476 R N 0.117 120.238 120.500 -0.631 0.000 2.837 476 R HA 0.805 5.153 4.340 0.015 0.000 0.271 476 R C -0.519 175.756 176.300 -0.041 0.000 0.993 476 R CA -0.972 55.010 56.100 -0.196 0.000 0.931 476 R CB 1.863 32.183 30.300 0.033 0.000 1.206 476 R HN 0.710 nan 8.270 nan 0.000 0.474 477 E N 0.988 121.212 120.200 0.039 0.000 2.312 477 E HA 0.491 4.849 4.350 0.015 0.000 0.267 477 E C -0.966 175.627 176.600 -0.010 0.000 0.894 477 E CA -0.465 55.979 56.400 0.074 0.000 0.773 477 E CB 1.116 30.889 29.700 0.122 0.000 1.241 477 E HN 0.478 nan 8.360 nan 0.000 0.432 478 N N 0.530 119.210 118.700 -0.033 0.000 5.558 478 N HA -0.122 4.627 4.740 0.015 0.000 0.377 478 N C 0.024 175.540 175.510 0.010 0.000 1.295 478 N CA 1.274 54.236 53.050 -0.146 0.000 2.509 478 N CB -0.798 37.392 38.487 -0.496 0.000 0.579 478 N HN 0.969 nan 8.380 nan 0.000 0.690 479 G N -0.297 108.409 108.800 -0.158 0.000 2.855 479 G HA2 -0.268 3.701 3.960 0.015 0.000 0.352 479 G HA3 -0.268 3.701 3.960 0.015 0.000 0.352 479 G C 0.508 175.572 174.900 0.274 0.000 1.415 479 G CA 0.671 45.783 45.100 0.021 0.000 0.871 479 G HN 0.719 nan 8.290 nan 0.000 0.543 480 Q N -0.135 119.806 119.800 0.235 0.000 2.331 480 Q HA 0.306 4.655 4.340 0.015 0.000 0.203 480 Q C 2.998 179.122 176.000 0.206 0.000 0.944 480 Q CA 1.420 57.358 55.803 0.225 0.000 0.892 480 Q CB -0.030 28.793 28.738 0.140 0.000 0.983 480 Q HN 1.021 nan 8.270 nan 0.000 0.482 481 A N 0.916 123.851 122.820 0.191 0.000 1.933 481 A HA -0.160 4.168 4.320 0.015 0.000 0.218 481 A C 2.185 179.927 177.584 0.263 0.000 1.175 481 A CA 1.670 53.818 52.037 0.185 0.000 0.628 481 A CB -0.821 18.301 19.000 0.202 0.000 0.814 481 A HN 0.271 nan 8.150 nan 0.000 0.444 482 T N 0.073 114.843 114.554 0.361 0.000 2.849 482 T HA -0.140 4.219 4.350 0.015 0.000 0.270 482 T C 1.941 176.879 174.700 0.397 0.000 1.066 482 T CA 1.602 63.981 62.100 0.465 0.000 1.130 482 T CB -0.727 68.370 68.868 0.382 0.000 0.864 482 T HN 0.692 nan 8.240 nan 0.000 0.481 483 V N 1.320 121.408 119.914 0.290 0.000 2.469 483 V HA -0.181 3.948 4.120 0.015 0.000 0.251 483 V C 1.822 177.988 176.094 0.121 0.000 1.064 483 V CA 1.974 64.401 62.300 0.212 0.000 1.066 483 V CB -0.653 31.280 31.823 0.183 0.000 0.667 483 V HN 0.254 nan 8.190 nan 0.000 0.461 484 D N -0.245 120.149 120.400 -0.010 0.000 2.263 484 D HA -0.115 4.534 4.640 0.015 0.000 0.208 484 D C 1.727 177.836 176.300 -0.319 0.000 0.971 484 D CA 1.633 55.513 54.000 -0.200 0.000 0.867 484 D CB -0.337 40.258 40.800 -0.342 0.000 0.929 484 D HN 0.724 nan 8.370 nan 0.000 0.492 485 Y N -1.565 118.751 120.300 0.027 0.000 2.490 485 Y HA 0.064 4.627 4.550 0.021 0.000 0.281 485 Y C 0.736 176.448 175.900 -0.312 0.000 1.174 485 Y CA 0.236 58.272 58.100 -0.107 0.000 1.295 485 Y CB -0.022 38.348 38.460 -0.150 0.000 1.062 485 Y HN -0.010 nan 8.280 nan 0.000 0.522 486 Y N -1.092 119.260 120.300 0.086 0.000 2.626 486 Y HA 0.274 4.831 4.550 0.010 0.000 0.248 486 Y C 0.517 176.411 175.900 -0.009 0.000 1.147 486 Y CA -0.608 57.507 58.100 0.025 0.000 1.219 486 Y CB 0.594 39.062 38.460 0.014 0.000 1.279 486 Y HN -0.054 nan 8.280 nan 0.000 0.541 487 S N 0.152 115.896 115.700 0.074 0.000 2.638 487 S HA 0.757 5.236 4.470 0.015 0.000 0.274 487 S C -1.280 173.313 174.600 -0.011 0.000 1.157 487 S CA -0.896 57.325 58.200 0.035 0.000 0.826 487 S CB 2.573 65.808 63.200 0.059 0.000 1.139 487 S HN 0.176 nan 8.310 nan 0.000 0.474 488 Q N 0.638 120.439 119.800 0.001 0.000 2.340 488 Q HA 0.632 4.981 4.340 0.015 0.000 0.276 488 Q C -1.705 174.305 176.000 0.017 0.000 1.048 488 Q CA -1.018 54.788 55.803 0.005 0.000 0.832 488 Q CB 1.479 30.222 28.738 0.008 0.000 1.373 488 Q HN 0.688 nan 8.270 nan 0.000 0.409 489 L N 2.070 123.301 121.223 0.013 0.000 2.292 489 L HA 0.510 4.858 4.340 0.015 0.000 0.284 489 L C -0.164 176.710 176.870 0.007 0.000 1.065 489 L CA -0.549 54.299 54.840 0.013 0.000 0.806 489 L CB 1.187 43.249 42.059 0.005 0.000 1.175 489 L HN 0.626 nan 8.230 nan 0.000 0.431 490 K N 2.134 122.537 120.400 0.006 0.000 2.235 490 K HA 0.398 4.727 4.320 0.015 0.000 0.266 490 K C -0.893 175.669 176.600 -0.062 0.000 0.980 490 K CA -0.453 55.822 56.287 -0.019 0.000 0.849 490 K CB 1.381 33.876 32.500 -0.008 0.000 1.098 490 K HN 0.491 nan 8.250 nan 0.000 0.445 491 T N 3.275 117.776 114.554 -0.089 0.000 2.744 491 T HA 0.270 4.629 4.350 0.015 0.000 0.291 491 T C -0.724 173.840 174.700 -0.227 0.000 0.957 491 T CA -0.522 61.494 62.100 -0.140 0.000 1.002 491 T CB 1.023 69.831 68.868 -0.100 0.000 0.919 491 T HN 0.299 nan 8.240 nan 0.000 0.468 492 V N 5.569 125.239 119.914 -0.407 0.000 2.378 492 V HA 0.470 4.599 4.120 0.015 0.000 0.288 492 V C -0.162 175.625 176.094 -0.512 0.000 1.016 492 V CA -0.776 61.194 62.300 -0.551 0.000 0.840 492 V CB 1.325 32.536 31.823 -1.021 0.000 0.994 492 V HN 0.807 nan 8.190 nan 0.000 0.431 493 I N 5.411 125.778 120.570 -0.338 0.000 2.330 493 I HA 0.447 4.625 4.170 0.015 0.000 0.289 493 I C -0.320 175.613 176.117 -0.306 0.000 1.001 493 I CA -0.683 60.445 61.300 -0.287 0.000 1.193 493 I CB 1.919 39.808 38.000 -0.184 0.000 1.345 493 I HN 0.467 nan 8.210 nan 0.000 0.461 494 V N 6.267 125.915 119.914 -0.444 0.000 2.347 494 V HA 0.449 4.578 4.120 0.015 0.000 0.280 494 V C -0.277 175.644 176.094 -0.287 0.000 1.021 494 V CA -0.360 61.686 62.300 -0.424 0.000 0.847 494 V CB 1.596 33.066 31.823 -0.587 0.000 0.990 494 V HN 0.772 nan 8.190 nan 0.000 0.444 495 E N 6.306 126.419 120.200 -0.144 0.000 2.194 495 E HA 0.312 4.671 4.350 0.015 0.000 0.284 495 E C 0.433 177.020 176.600 -0.022 0.000 1.035 495 E CA -0.213 56.146 56.400 -0.068 0.000 0.836 495 E CB 1.383 31.056 29.700 -0.046 0.000 1.070 495 E HN 0.732 nan 8.360 nan 0.000 0.401 496 M N 2.914 122.525 119.600 0.020 0.000 2.509 496 M HA 0.244 4.733 4.480 0.015 0.000 0.250 496 M C 0.837 177.164 176.300 0.045 0.000 1.132 496 M CA 0.527 55.866 55.300 0.064 0.000 1.080 496 M CB 0.133 32.804 32.600 0.118 0.000 1.408 496 M HN 0.577 nan 8.290 nan 0.000 0.484 497 G N -0.634 108.182 108.800 0.027 0.000 3.356 497 G HA2 0.308 4.277 3.960 0.015 0.000 0.178 497 G HA3 0.308 4.277 3.960 0.015 0.000 0.178 497 G C -0.953 173.954 174.900 0.012 0.000 1.130 497 G CA -0.357 44.755 45.100 0.021 0.000 0.800 497 G HN 0.110 nan 8.290 nan 0.000 0.669 498 D N -0.118 120.288 120.400 0.009 0.000 2.340 498 D HA 0.460 5.109 4.640 0.015 0.000 0.251 498 D C 0.119 176.420 176.300 0.001 0.000 1.080 498 D CA -0.197 53.807 54.000 0.006 0.000 0.971 498 D CB 2.118 42.922 40.800 0.005 0.000 1.137 498 D HN 0.031 nan 8.370 nan 0.000 0.475 499 V N 1.547 121.462 119.914 0.002 0.000 2.583 499 V HA 0.032 4.161 4.120 0.015 0.000 0.287 499 V C 0.289 176.380 176.094 -0.004 0.000 1.051 499 V CA -0.330 61.970 62.300 -0.000 0.000 1.010 499 V CB 0.978 32.805 31.823 0.007 0.000 0.988 499 V HN 0.357 nan 8.190 nan 0.000 0.478 500 D N 3.012 123.406 120.400 -0.010 0.000 2.325 500 D HA 0.282 4.931 4.640 0.015 0.000 0.251 500 D C -0.109 176.176 176.300 -0.026 0.000 1.196 500 D CA 0.427 54.414 54.000 -0.021 0.000 0.866 500 D CB 1.544 42.328 40.800 -0.027 0.000 1.101 500 D HN 0.505 nan 8.370 nan 0.000 0.476 501 S N 2.063 117.741 115.700 -0.037 0.000 2.526 501 S HA 0.384 4.863 4.470 0.015 0.000 0.293 501 S C 0.892 175.399 174.600 -0.155 0.000 1.092 501 S CA -0.711 57.459 58.200 -0.049 0.000 0.980 501 S CB 0.996 64.207 63.200 0.019 0.000 1.048 501 S HN 0.368 nan 8.310 nan 0.000 0.483 502 L N 3.234 124.237 121.223 -0.365 0.000 2.592 502 L HA 0.350 4.698 4.340 0.015 0.000 0.227 502 L C -0.707 175.785 176.870 -0.631 0.000 1.127 502 L CA 0.304 54.782 54.840 -0.602 0.000 0.884 502 L CB -0.145 41.366 42.059 -0.913 0.000 1.065 502 L HN 0.486 nan 8.230 nan 0.000 0.457 503 F N 0.000 119.945 119.950 -0.008 0.000 2.286 503 F HA 0.000 4.535 4.527 0.014 0.000 0.279 503 F CA 0.000 57.996 58.000 -0.007 0.000 1.383 503 F CB 0.000 38.995 39.000 -0.008 0.000 1.145 503 F HN 0.000 nan 8.300 nan 0.000 0.574