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 1l5l_1_A DATA FIRST_RESID 3 DATA SEQUENCE TLHALLRDIP APDAEAMART QQHIDGLLKP PGSLGRLETL AVQLAGMPGL DATA SEQUENCE NGTPQVGEKA VLVMCADHGV WDEGVAVSPK IVTAIQAANM TRGTTGVCVL DATA SEQUENCE AAQAGAKVHV IDVGIDAEPI PGVVNMRVAR GCGNIAVGPA MSRLQAEALL DATA SEQUENCE LEVSRYTcDL AQRGVTLFGV GELGMANTTP AAAMVSVFTG SDAKEVVGIG DATA SEQUENCE ANLPPSRIDN KVDVVRRAIA INQPNPRDGI DVLSKVGGFD LVGMTGVMLG DATA SEQUENCE AARcGLPVLL DGFLSYSAAL AACQIAPAVR PYLIPSHFSA EKGARIALAH DATA SEQUENCE LSMEPYLHMA MRLGEGSGAA LAMPIVEAAC AMFHNMGELA ASNIVLP 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 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.694 174.700 -0.010 0.000 1.109 3 T CA 0.000 62.095 62.100 -0.008 0.000 1.349 3 T CB 0.000 68.865 68.868 -0.006 0.000 0.612 4 L N 2.951 124.169 121.223 -0.008 0.000 2.156 4 L HA 0.221 4.561 4.340 0.001 0.000 0.208 4 L C 2.959 179.824 176.870 -0.009 0.000 1.095 4 L CA 3.114 57.948 54.840 -0.009 0.000 0.770 4 L CB -0.934 41.122 42.059 -0.005 0.000 0.914 4 L HN 1.028 nan 8.230 nan 0.000 0.439 5 H N -1.440 117.626 119.070 -0.006 0.000 2.353 5 H HA 0.095 4.652 4.556 0.001 0.000 0.300 5 H C 2.146 177.470 175.328 -0.007 0.000 1.090 5 H CA 1.918 57.963 56.048 -0.004 0.000 1.327 5 H CB -0.885 28.875 29.762 -0.002 0.000 1.383 5 H HN 0.562 nan 8.280 nan 0.000 0.508 6 A N 0.490 123.305 122.820 -0.009 0.000 1.877 6 A HA 0.071 4.391 4.320 0.001 0.000 0.216 6 A C 2.630 180.205 177.584 -0.016 0.000 1.186 6 A CA 1.826 53.857 52.037 -0.011 0.000 0.620 6 A CB -0.806 18.187 19.000 -0.011 0.000 0.822 6 A HN 0.713 nan 8.150 nan 0.000 0.443 7 L N -0.008 121.203 121.223 -0.020 0.000 1.990 7 L HA -0.192 4.148 4.340 0.001 0.000 0.213 7 L C 2.310 179.162 176.870 -0.030 0.000 1.072 7 L CA 2.108 56.931 54.840 -0.029 0.000 0.755 7 L CB -0.496 41.544 42.059 -0.032 0.000 0.889 7 L HN 0.416 nan 8.230 nan 0.000 0.432 8 L N -0.645 120.565 121.223 -0.022 0.000 2.083 8 L HA -0.184 4.157 4.340 0.001 0.000 0.209 8 L C 2.840 179.704 176.870 -0.011 0.000 1.083 8 L CA 1.597 56.427 54.840 -0.017 0.000 0.752 8 L CB -0.734 41.319 42.059 -0.010 0.000 0.899 8 L HN 0.375 nan 8.230 nan 0.000 0.433 9 R N 0.345 120.840 120.500 -0.009 0.000 2.115 9 R HA -0.153 4.187 4.340 0.001 0.000 0.230 9 R C 0.924 177.222 176.300 -0.004 0.000 1.111 9 R CA 1.540 57.637 56.100 -0.004 0.000 0.976 9 R CB -0.043 30.255 30.300 -0.003 0.000 0.870 9 R HN 0.309 nan 8.270 nan 0.000 0.445 10 D N 0.378 120.771 120.400 -0.012 0.000 2.328 10 D HA 0.099 4.740 4.640 0.001 0.000 0.226 10 D C 0.115 176.402 176.300 -0.021 0.000 1.066 10 D CA 0.200 54.191 54.000 -0.015 0.000 0.861 10 D CB 0.124 40.912 40.800 -0.021 0.000 0.912 10 D HN 0.250 nan 8.370 nan 0.000 0.521 11 I N 3.655 124.213 120.570 -0.020 0.000 2.587 11 I HA 0.045 4.215 4.170 0.001 0.000 0.284 11 I C -1.742 174.391 176.117 0.026 0.000 1.134 11 I CA -1.336 59.947 61.300 -0.029 0.000 1.410 11 I CB 0.487 38.475 38.000 -0.019 0.000 1.392 11 I HN -0.208 nan 8.210 nan 0.000 0.545 12 P HA 0.203 nan 4.420 nan 0.000 0.275 12 P C -0.635 176.774 177.300 0.182 0.000 1.228 12 P CA -0.430 62.727 63.100 0.095 0.000 0.786 12 P CB 1.055 32.804 31.700 0.082 0.000 0.927 13 A N 4.187 127.075 122.820 0.113 0.000 2.287 13 A HA 0.554 4.875 4.320 0.001 0.000 0.273 13 A C -2.109 175.516 177.584 0.068 0.000 1.091 13 A CA -1.372 50.715 52.037 0.084 0.000 0.817 13 A CB -1.295 17.729 19.000 0.039 0.000 1.069 13 A HN 0.421 nan 8.150 nan 0.000 0.492 14 P HA 0.131 nan 4.420 nan 0.000 0.271 14 P C -0.908 176.383 177.300 -0.014 0.000 1.218 14 P CA -0.082 62.984 63.100 -0.056 0.000 0.780 14 P CB 0.436 32.058 31.700 -0.131 0.000 0.901 15 D N 2.017 122.413 120.400 -0.006 0.000 2.402 15 D HA 0.184 4.824 4.640 0.001 0.000 0.235 15 D C 1.071 177.367 176.300 -0.007 0.000 1.226 15 D CA -0.184 53.817 54.000 0.003 0.000 0.918 15 D CB 0.413 41.219 40.800 0.011 0.000 1.043 15 D HN 0.268 nan 8.370 nan 0.000 0.506 16 A N 4.339 127.156 122.820 -0.005 0.000 1.972 16 A HA -0.166 4.154 4.320 0.001 0.000 0.219 16 A C 1.926 179.512 177.584 0.003 0.000 1.169 16 A CA 0.913 52.947 52.037 -0.004 0.000 0.635 16 A CB -0.281 18.717 19.000 -0.003 0.000 0.810 16 A HN 0.601 nan 8.150 nan 0.000 0.446 17 E N 0.524 120.728 120.200 0.007 0.000 2.051 17 E HA -0.149 4.202 4.350 0.001 0.000 0.192 17 E C 2.206 178.815 176.600 0.015 0.000 0.991 17 E CA 1.348 57.755 56.400 0.012 0.000 0.799 17 E CB -0.344 29.363 29.700 0.012 0.000 0.748 17 E HN 0.468 nan 8.360 nan 0.000 0.449 18 A N 0.837 123.663 122.820 0.010 0.000 1.933 18 A HA -0.139 4.182 4.320 0.001 0.000 0.218 18 A C 2.370 179.961 177.584 0.011 0.000 1.175 18 A CA 1.693 53.735 52.037 0.008 0.000 0.628 18 A CB -0.516 18.481 19.000 -0.006 0.000 0.814 18 A HN 0.288 nan 8.150 nan 0.000 0.444 19 M N -0.534 119.068 119.600 0.003 0.000 2.159 19 M HA -0.134 4.347 4.480 0.001 0.000 0.263 19 M C 2.514 178.834 176.300 0.033 0.000 1.063 19 M CA 1.382 56.687 55.300 0.008 0.000 1.110 19 M CB -0.399 32.198 32.600 -0.006 0.000 1.374 19 M HN 0.477 nan 8.290 nan 0.000 0.411 20 A N 0.479 123.317 122.820 0.030 0.000 1.902 20 A HA -0.146 4.174 4.320 0.001 0.000 0.217 20 A C 2.166 179.784 177.584 0.058 0.000 1.181 20 A CA 1.506 53.565 52.037 0.037 0.000 0.623 20 A CB -0.597 18.419 19.000 0.026 0.000 0.818 20 A HN 0.415 nan 8.150 nan 0.000 0.443 21 R N -0.894 119.644 120.500 0.063 0.000 2.120 21 R HA -0.077 4.263 4.340 0.001 0.000 0.234 21 R C 2.189 178.581 176.300 0.153 0.000 1.123 21 R CA 1.697 57.849 56.100 0.087 0.000 0.975 21 R CB -0.552 29.791 30.300 0.072 0.000 0.866 21 R HN 0.577 nan 8.270 nan 0.000 0.446 22 T N 0.613 115.268 114.554 0.168 0.000 2.701 22 T HA -0.186 4.165 4.350 0.001 0.000 0.263 22 T C 1.706 176.573 174.700 0.279 0.000 1.040 22 T CA 1.289 63.577 62.100 0.313 0.000 1.147 22 T CB -0.209 68.757 68.868 0.164 0.000 0.865 22 T HN 0.144 nan 8.240 nan 0.000 0.426 23 Q N 1.466 121.357 119.800 0.151 0.000 2.061 23 Q HA -0.161 4.179 4.340 0.001 0.000 0.204 23 Q C 2.674 178.723 176.000 0.082 0.000 0.984 23 Q CA 2.746 58.611 55.803 0.103 0.000 0.846 23 Q CB -0.978 27.797 28.738 0.062 0.000 0.902 23 Q HN 0.663 nan 8.270 nan 0.000 0.421 24 Q N 0.055 119.902 119.800 0.079 0.000 2.096 24 Q HA -0.246 4.094 4.340 0.001 0.000 0.204 24 Q C 2.086 178.109 176.000 0.037 0.000 0.982 24 Q CA 1.983 57.816 55.803 0.050 0.000 0.850 24 Q CB -1.439 27.330 28.738 0.052 0.000 0.901 24 Q HN 0.808 nan 8.270 nan 0.000 0.422 25 H N -0.348 118.699 119.070 -0.038 0.000 2.353 25 H HA 0.002 4.558 4.556 0.001 0.000 0.300 25 H C 2.167 177.377 175.328 -0.197 0.000 1.090 25 H CA 1.617 57.572 56.048 -0.155 0.000 1.327 25 H CB 0.013 29.605 29.762 -0.283 0.000 1.383 25 H HN 0.528 nan 8.280 nan 0.000 0.508 26 I N 0.873 121.393 120.570 -0.083 0.000 2.286 26 I HA -0.245 3.925 4.170 0.001 0.000 0.248 26 I C 1.962 178.008 176.117 -0.119 0.000 1.115 26 I CA 1.236 62.474 61.300 -0.102 0.000 1.392 26 I CB -0.210 37.831 38.000 0.069 0.000 1.065 26 I HN 0.177 nan 8.210 nan 0.000 0.418 27 D N 0.731 121.086 120.400 -0.074 0.000 2.219 27 D HA -0.102 4.539 4.640 0.001 0.000 0.205 27 D C 2.053 178.292 176.300 -0.101 0.000 0.970 27 D CA 1.271 55.233 54.000 -0.064 0.000 0.851 27 D CB -0.262 40.518 40.800 -0.032 0.000 0.943 27 D HN 0.394 nan 8.370 nan 0.000 0.488 28 G N -0.234 108.469 108.800 -0.162 0.000 2.985 28 G HA2 0.136 4.096 3.960 0.001 0.000 0.209 28 G HA3 0.136 4.096 3.960 0.001 0.000 0.209 28 G C 0.741 175.511 174.900 -0.217 0.000 1.165 28 G CA -0.234 44.761 45.100 -0.175 0.000 0.776 28 G HN 0.156 nan 8.290 nan 0.000 0.541 29 L N 0.069 121.143 121.223 -0.248 0.000 2.472 29 L HA 0.202 4.543 4.340 0.001 0.000 0.260 29 L C 0.769 177.561 176.870 -0.130 0.000 1.209 29 L CA -1.044 53.662 54.840 -0.224 0.000 0.817 29 L CB 0.764 42.688 42.059 -0.225 0.000 1.106 29 L HN -0.073 nan 8.230 nan 0.000 0.479 30 L N 3.244 124.405 121.223 -0.104 0.000 2.752 30 L HA 0.031 4.372 4.340 0.001 0.000 0.251 30 L C 0.071 176.910 176.870 -0.052 0.000 1.436 30 L CA 0.909 55.708 54.840 -0.068 0.000 1.181 30 L CB -1.829 40.197 42.059 -0.055 0.000 1.414 30 L HN 0.597 nan 8.230 nan 0.000 0.448 31 K N 0.842 121.211 120.400 -0.051 0.000 2.685 31 K HA 0.540 4.860 4.320 0.001 0.000 0.290 31 K C -3.090 173.490 176.600 -0.034 0.000 1.018 31 K CA -1.732 54.533 56.287 -0.037 0.000 0.860 31 K CB 0.456 32.935 32.500 -0.034 0.000 1.498 31 K HN -0.270 nan 8.250 nan 0.000 0.390 32 P HA 0.187 nan 4.420 nan 0.000 0.267 32 P C -2.507 174.781 177.300 -0.020 0.000 1.205 32 P CA -0.832 62.256 63.100 -0.020 0.000 0.765 32 P CB -0.023 31.669 31.700 -0.014 0.000 0.828 33 P HA -0.026 nan 4.420 nan 0.000 0.262 33 P C 1.068 178.363 177.300 -0.009 0.000 1.182 33 P CA 1.512 64.600 63.100 -0.019 0.000 0.761 33 P CB 0.077 31.767 31.700 -0.017 0.000 0.795 34 G N 2.865 111.663 108.800 -0.005 0.000 2.189 34 G HA2 -0.339 3.622 3.960 0.001 0.000 0.267 34 G HA3 -0.339 3.622 3.960 0.001 0.000 0.267 34 G C 1.258 176.162 174.900 0.006 0.000 0.975 34 G CA 0.698 45.801 45.100 0.005 0.000 0.644 34 G HN 0.584 nan 8.290 nan 0.000 0.537 35 S N -0.981 114.719 115.700 0.000 0.000 2.469 35 S HA 0.170 4.641 4.470 0.001 0.000 0.238 35 S C 1.710 176.314 174.600 0.006 0.000 0.998 35 S CA 1.297 59.497 58.200 0.002 0.000 0.957 35 S CB 0.020 63.217 63.200 -0.004 0.000 0.764 35 S HN 0.362 nan 8.310 nan 0.000 0.514 36 L N 1.928 123.156 121.223 0.009 0.000 2.629 36 L HA 0.395 4.735 4.340 0.001 0.000 0.230 36 L C 1.782 178.667 176.870 0.024 0.000 1.151 36 L CA 0.184 55.032 54.840 0.014 0.000 0.924 36 L CB -1.182 40.884 42.059 0.012 0.000 1.137 36 L HN 0.487 nan 8.230 nan 0.000 0.457 37 G N 0.849 109.665 108.800 0.027 0.000 2.700 37 G HA2 -0.497 3.464 3.960 0.001 0.000 0.350 37 G HA3 -0.497 3.464 3.960 0.001 0.000 0.350 37 G C 1.483 176.417 174.900 0.056 0.000 1.250 37 G CA 0.944 46.067 45.100 0.039 0.000 0.978 37 G HN 0.339 nan 8.290 nan 0.000 0.551 38 R N -0.381 120.167 120.500 0.080 0.000 2.237 38 R HA 0.187 4.527 4.340 0.001 0.000 0.219 38 R C 2.619 178.966 176.300 0.079 0.000 1.080 38 R CA 1.100 57.275 56.100 0.125 0.000 0.995 38 R CB -0.357 30.086 30.300 0.239 0.000 0.875 38 R HN 0.368 nan 8.270 nan 0.000 0.462 39 L N 0.794 122.034 121.223 0.029 0.000 2.156 39 L HA -0.090 4.250 4.340 0.001 0.000 0.208 39 L C 1.484 178.370 176.870 0.028 0.000 1.095 39 L CA 1.758 56.593 54.840 -0.008 0.000 0.770 39 L CB -0.102 41.951 42.059 -0.009 0.000 0.914 39 L HN 0.165 nan 8.230 nan 0.000 0.439 40 E N -1.586 118.641 120.200 0.045 0.000 2.072 40 E HA -0.159 4.192 4.350 0.001 0.000 0.190 40 E C 1.919 178.557 176.600 0.063 0.000 0.982 40 E CA 1.572 58.009 56.400 0.062 0.000 0.803 40 E CB -0.203 29.528 29.700 0.051 0.000 0.755 40 E HN 0.442 nan 8.360 nan 0.000 0.453 41 T N 1.980 116.570 114.554 0.061 0.000 2.746 41 T HA -0.152 4.198 4.350 0.001 0.000 0.267 41 T C 1.856 176.591 174.700 0.059 0.000 1.039 41 T CA 0.859 62.995 62.100 0.060 0.000 1.142 41 T CB -0.229 68.684 68.868 0.074 0.000 0.866 41 T HN 0.021 nan 8.240 nan 0.000 0.444 42 L N 1.517 122.780 121.223 0.067 0.000 2.046 42 L HA 0.079 4.420 4.340 0.001 0.000 0.208 42 L C 2.605 179.484 176.870 0.014 0.000 1.077 42 L CA 1.893 56.765 54.840 0.053 0.000 0.747 42 L CB -1.124 40.940 42.059 0.008 0.000 0.896 42 L HN 0.221 nan 8.230 nan 0.000 0.432 43 A N -1.179 121.649 122.820 0.014 0.000 1.902 43 A HA -0.155 4.166 4.320 0.001 0.000 0.217 43 A C 2.262 179.811 177.584 -0.058 0.000 1.181 43 A CA 2.045 54.069 52.037 -0.022 0.000 0.623 43 A CB -1.097 17.941 19.000 0.064 0.000 0.818 43 A HN 0.318 nan 8.150 nan 0.000 0.443 44 V N -0.060 119.855 119.914 0.001 0.000 2.358 44 V HA -0.308 3.813 4.120 0.001 0.000 0.246 44 V C 2.700 178.774 176.094 -0.033 0.000 1.047 44 V CA 2.246 64.542 62.300 -0.006 0.000 1.035 44 V CB -0.830 31.009 31.823 0.027 0.000 0.658 44 V HN 0.772 nan 8.190 nan 0.000 0.452 45 Q N -0.181 119.605 119.800 -0.022 0.000 2.061 45 Q HA -0.234 4.106 4.340 0.001 0.000 0.204 45 Q C 2.277 178.244 176.000 -0.055 0.000 0.984 45 Q CA 2.061 57.841 55.803 -0.039 0.000 0.846 45 Q CB -0.205 28.526 28.738 -0.012 0.000 0.902 45 Q HN 0.610 nan 8.270 nan 0.000 0.421 46 L N 0.163 121.359 121.223 -0.045 0.000 2.042 46 L HA -0.185 4.155 4.340 0.001 0.000 0.210 46 L C 2.578 179.405 176.870 -0.071 0.000 1.076 46 L CA 1.019 55.832 54.840 -0.045 0.000 0.749 46 L CB -0.631 41.395 42.059 -0.055 0.000 0.893 46 L HN 0.305 nan 8.230 nan 0.000 0.432 47 A N 0.180 122.931 122.820 -0.116 0.000 2.019 47 A HA -0.118 4.203 4.320 0.001 0.000 0.219 47 A C 2.287 179.831 177.584 -0.066 0.000 1.164 47 A CA 1.638 53.598 52.037 -0.129 0.000 0.644 47 A CB -0.986 17.916 19.000 -0.163 0.000 0.805 47 A HN 0.467 nan 8.150 nan 0.000 0.449 48 G N -1.284 107.480 108.800 -0.059 0.000 2.712 48 G HA2 0.219 4.180 3.960 0.001 0.000 0.212 48 G HA3 0.219 4.180 3.960 0.001 0.000 0.212 48 G C 0.670 175.553 174.900 -0.029 0.000 1.142 48 G CA -0.180 44.890 45.100 -0.050 0.000 0.789 48 G HN 0.473 nan 8.290 nan 0.000 0.535 49 M N 1.215 120.815 119.600 0.001 0.000 2.156 49 M HA 0.189 4.670 4.480 0.001 0.000 0.345 49 M C -1.668 174.710 176.300 0.131 0.000 1.398 49 M CA -1.579 53.800 55.300 0.132 0.000 1.148 49 M CB 1.687 34.398 32.600 0.184 0.000 1.663 49 M HN -0.147 nan 8.290 nan 0.000 0.464 50 P HA -0.172 nan 4.420 nan 0.000 0.217 50 P C 1.340 178.679 177.300 0.066 0.000 1.148 50 P CA 1.342 64.496 63.100 0.090 0.000 0.834 50 P CB 0.067 31.823 31.700 0.093 0.000 0.783 51 G N -1.069 107.779 108.800 0.080 0.000 2.598 51 G HA2 -0.133 3.828 3.960 0.001 0.000 0.215 51 G HA3 -0.133 3.828 3.960 0.001 0.000 0.215 51 G C 1.122 176.045 174.900 0.037 0.000 1.131 51 G CA 0.162 45.292 45.100 0.051 0.000 0.785 51 G HN 0.274 nan 8.290 nan 0.000 0.539 52 L N 0.041 121.288 121.223 0.039 0.000 2.628 52 L HA 0.171 4.512 4.340 0.001 0.000 0.229 52 L C 0.266 177.136 176.870 -0.001 0.000 1.137 52 L CA -0.305 54.543 54.840 0.013 0.000 0.909 52 L CB -0.239 41.824 42.059 0.006 0.000 1.137 52 L HN 0.102 nan 8.230 nan 0.000 0.470 53 N N 0.939 119.643 118.700 0.007 0.000 2.727 53 N HA -0.186 4.554 4.740 0.001 0.000 0.251 53 N C 1.034 176.542 175.510 -0.003 0.000 1.040 53 N CA 0.953 54.005 53.050 0.003 0.000 0.712 53 N CB -1.733 36.754 38.487 -0.000 0.000 0.912 53 N HN 0.560 nan 8.380 nan 0.000 0.545 54 G N -1.628 107.167 108.800 -0.008 0.000 2.203 54 G HA2 -0.299 3.661 3.960 0.001 0.000 0.263 54 G HA3 -0.299 3.661 3.960 0.001 0.000 0.263 54 G C 0.113 174.979 174.900 -0.056 0.000 1.012 54 G CA 1.311 46.399 45.100 -0.020 0.000 0.749 54 G HN 1.066 nan 8.290 nan 0.000 0.512 55 T N -0.148 114.353 114.554 -0.088 0.000 2.942 55 T HA 0.589 4.939 4.350 0.001 0.000 0.327 55 T C -3.087 171.488 174.700 -0.209 0.000 1.360 55 T CA -0.684 61.300 62.100 -0.194 0.000 1.055 55 T CB 2.528 71.375 68.868 -0.036 0.000 1.261 55 T HN -0.008 nan 8.240 nan 0.000 0.485 56 P HA 0.265 nan 4.420 nan 0.000 0.270 56 P C -1.296 176.001 177.300 -0.005 0.000 1.242 56 P CA 0.044 63.002 63.100 -0.237 0.000 0.768 56 P CB 0.074 31.538 31.700 -0.394 0.000 0.820 57 Q N 1.612 121.406 119.800 -0.009 0.000 2.435 57 Q HA 0.707 5.048 4.340 0.001 0.000 0.282 57 Q C -1.790 174.194 176.000 -0.026 0.000 1.020 57 Q CA -1.151 54.647 55.803 -0.008 0.000 0.820 57 Q CB 1.628 30.341 28.738 -0.041 0.000 1.436 57 Q HN 0.070 nan 8.270 nan 0.000 0.395 58 V N 1.630 121.523 119.914 -0.035 0.000 2.577 58 V HA 0.727 4.848 4.120 0.001 0.000 0.303 58 V C 0.089 176.150 176.094 -0.055 0.000 1.042 58 V CA 0.139 62.413 62.300 -0.043 0.000 0.872 58 V CB 1.269 33.073 31.823 -0.032 0.000 0.998 58 V HN 0.990 nan 8.190 nan 0.000 0.423 59 G N 3.274 112.033 108.800 -0.069 0.000 3.223 59 G HA2 0.306 4.266 3.960 0.001 0.000 0.198 59 G HA3 0.306 4.266 3.960 0.001 0.000 0.198 59 G C -0.064 174.791 174.900 -0.075 0.000 1.980 59 G CA -0.125 44.934 45.100 -0.068 0.000 0.828 59 G HN 0.537 nan 8.290 nan 0.000 0.680 60 E N 0.845 120.990 120.200 -0.091 0.000 2.349 60 E HA 0.433 4.783 4.350 0.001 0.000 0.265 60 E C -0.631 175.884 176.600 -0.142 0.000 1.064 60 E CA 0.084 56.429 56.400 -0.092 0.000 0.886 60 E CB 1.570 31.221 29.700 -0.081 0.000 1.036 60 E HN 0.238 nan 8.360 nan 0.000 0.413 61 K N 0.399 120.734 120.400 -0.108 0.000 2.324 61 K HA 0.730 5.051 4.320 0.001 0.000 0.253 61 K C -0.999 175.554 176.600 -0.079 0.000 0.932 61 K CA -0.684 55.528 56.287 -0.124 0.000 0.799 61 K CB 2.209 34.673 32.500 -0.061 0.000 1.154 61 K HN 0.495 nan 8.250 nan 0.000 0.425 62 A N 1.849 124.603 122.820 -0.110 0.000 2.449 62 A HA 0.623 4.944 4.320 0.001 0.000 0.302 62 A C -1.282 176.375 177.584 0.121 0.000 1.048 62 A CA -0.711 51.354 52.037 0.047 0.000 0.708 62 A CB 1.407 20.414 19.000 0.012 0.000 1.274 62 A HN 0.393 nan 8.150 nan 0.000 0.410 63 V N 2.868 122.894 119.914 0.187 0.000 2.384 63 V HA 0.391 4.512 4.120 0.001 0.000 0.287 63 V C -0.926 175.300 176.094 0.219 0.000 1.020 63 V CA -0.394 62.012 62.300 0.177 0.000 0.850 63 V CB 1.101 33.000 31.823 0.128 0.000 0.987 63 V HN 0.699 nan 8.190 nan 0.000 0.436 64 L N 6.253 127.598 121.223 0.202 0.000 2.265 64 L HA 0.502 4.842 4.340 0.001 0.000 0.289 64 L C -0.093 176.856 176.870 0.131 0.000 1.033 64 L CA 0.059 55.014 54.840 0.190 0.000 0.814 64 L CB 1.695 43.855 42.059 0.167 0.000 1.203 64 L HN 0.413 nan 8.230 nan 0.000 0.423 65 V N 4.740 124.725 119.914 0.118 0.000 2.328 65 V HA 0.429 4.550 4.120 0.001 0.000 0.278 65 V C 0.122 176.250 176.094 0.057 0.000 1.021 65 V CA -0.709 61.640 62.300 0.081 0.000 0.838 65 V CB 1.298 33.165 31.823 0.074 0.000 0.999 65 V HN 0.562 nan 8.190 nan 0.000 0.447 66 M N 4.537 124.168 119.600 0.050 0.000 2.084 66 M HA 0.372 4.852 4.480 0.001 0.000 0.351 66 M C -0.453 175.877 176.300 0.051 0.000 1.240 66 M CA -0.121 55.201 55.300 0.037 0.000 1.083 66 M CB 0.433 33.057 32.600 0.041 0.000 1.593 66 M HN 0.546 nan 8.290 nan 0.000 0.463 67 C N 2.960 122.282 119.300 0.037 0.000 2.382 67 C HA 1.013 5.473 4.460 0.001 0.000 0.327 67 C C 0.356 175.374 174.990 0.047 0.000 1.250 67 C CA -0.659 58.387 59.018 0.046 0.000 1.707 67 C CB 0.807 28.564 27.740 0.028 0.000 2.272 67 C HN 0.987 nan 8.230 nan 0.000 0.506 68 A N 2.335 125.191 122.820 0.059 0.000 2.597 68 A HA 0.710 5.031 4.320 0.001 0.000 0.292 68 A C -1.855 175.715 177.584 -0.024 0.000 1.057 68 A CA -0.460 51.596 52.037 0.030 0.000 0.674 68 A CB 0.942 19.981 19.000 0.065 0.000 1.278 68 A HN 0.749 nan 8.150 nan 0.000 0.416 69 D N 0.558 120.915 120.400 -0.072 0.000 2.326 69 D HA 0.532 5.172 4.640 0.001 0.000 0.248 69 D C -0.910 175.234 176.300 -0.260 0.000 1.001 69 D CA 0.038 54.007 54.000 -0.052 0.000 0.961 69 D CB 0.972 41.749 40.800 -0.039 0.000 1.183 69 D HN 0.551 nan 8.370 nan 0.000 0.502 70 H N -0.493 118.582 119.070 0.008 0.000 2.538 70 H HA 0.259 4.816 4.556 0.001 0.000 0.353 70 H C 0.883 176.247 175.328 0.061 0.000 1.109 70 H CA -0.648 55.400 56.048 -0.000 0.000 1.192 70 H CB 2.196 31.973 29.762 0.027 0.000 1.555 70 H HN 0.576 nan 8.280 nan 0.000 0.518 71 G N 1.476 110.340 108.800 0.108 0.000 2.443 71 G HA2 -0.188 3.773 3.960 0.001 0.000 0.219 71 G HA3 -0.188 3.773 3.960 0.001 0.000 0.219 71 G C 1.419 176.416 174.900 0.161 0.000 1.131 71 G CA 0.497 45.666 45.100 0.116 0.000 0.775 71 G HN 0.457 nan 8.290 nan 0.000 0.547 72 V N -0.035 119.968 119.914 0.148 0.000 3.186 72 V HA -0.046 4.075 4.120 0.001 0.000 0.270 72 V C 2.032 178.196 176.094 0.116 0.000 1.149 72 V CA 1.395 63.754 62.300 0.099 0.000 1.160 72 V CB -0.417 31.439 31.823 0.054 0.000 0.758 72 V HN 0.645 nan 8.190 nan 0.000 0.516 73 W N 0.868 122.185 121.300 0.030 0.000 2.350 73 W HA -0.179 4.482 4.660 0.001 0.000 0.289 73 W C 1.816 178.342 176.519 0.011 0.000 1.215 73 W CA 1.676 59.033 57.345 0.020 0.000 1.236 73 W CB -0.024 29.459 29.460 0.039 0.000 1.130 73 W HN 0.341 nan 8.180 nan 0.000 0.541 74 D N 0.291 120.810 120.400 0.199 0.000 2.350 74 D HA -0.141 4.500 4.640 0.001 0.000 0.216 74 D C 1.447 177.669 176.300 -0.130 0.000 0.968 74 D CA 1.021 55.050 54.000 0.047 0.000 0.894 74 D CB -0.264 40.629 40.800 0.155 0.000 0.909 74 D HN 0.319 nan 8.370 nan 0.000 0.520 75 E N -0.003 120.117 120.200 -0.133 0.000 2.494 75 E HA 0.113 4.463 4.350 0.001 0.000 0.193 75 E C 1.219 177.699 176.600 -0.200 0.000 1.074 75 E CA 0.088 56.411 56.400 -0.129 0.000 0.867 75 E CB 0.001 29.654 29.700 -0.079 0.000 0.924 75 E HN 0.253 nan 8.360 nan 0.000 0.502 76 G N 1.610 110.200 108.800 -0.351 0.000 2.221 76 G HA2 -0.309 3.652 3.960 0.001 0.000 0.265 76 G HA3 -0.309 3.652 3.960 0.001 0.000 0.265 76 G C 0.945 175.677 174.900 -0.280 0.000 1.041 76 G CA 0.551 45.428 45.100 -0.372 0.000 0.807 76 G HN 0.345 nan 8.290 nan 0.000 0.502 77 V N -3.977 115.773 119.914 -0.273 0.000 3.649 77 V HA 0.754 4.875 4.120 0.001 0.000 0.275 77 V C 1.056 177.064 176.094 -0.144 0.000 1.281 77 V CA 1.035 63.235 62.300 -0.166 0.000 1.143 77 V CB 0.108 31.864 31.823 -0.112 0.000 0.892 77 V HN 1.796 nan 8.190 nan 0.000 0.441 78 A N -0.694 121.998 122.820 -0.212 0.000 2.435 78 A HA 0.771 5.092 4.320 0.001 0.000 0.304 78 A C 0.196 177.736 177.584 -0.073 0.000 1.064 78 A CA 0.228 52.215 52.037 -0.083 0.000 0.727 78 A CB 2.240 21.282 19.000 0.070 0.000 1.284 78 A HN 0.309 nan 8.150 nan 0.000 0.415 79 V N 1.081 121.005 119.914 0.017 0.000 3.174 79 V HA 0.092 4.212 4.120 0.001 0.000 0.254 79 V C 0.802 176.969 176.094 0.121 0.000 1.120 79 V CA 1.607 63.928 62.300 0.035 0.000 1.114 79 V CB -0.019 31.815 31.823 0.019 0.000 0.756 79 V HN 0.805 nan 8.190 nan 0.000 0.467 80 S N 2.122 117.926 115.700 0.174 0.000 2.565 80 S HA 0.406 4.877 4.470 0.001 0.000 0.274 80 S C -2.401 172.395 174.600 0.327 0.000 1.309 80 S CA -0.689 57.626 58.200 0.191 0.000 1.043 80 S CB 1.042 64.325 63.200 0.139 0.000 0.939 80 S HN 0.315 nan 8.310 nan 0.000 0.504 81 P HA 0.143 nan 4.420 nan 0.000 0.269 81 P C 0.696 177.946 177.300 -0.083 0.000 1.209 81 P CA -0.334 62.869 63.100 0.172 0.000 0.776 81 P CB 0.525 32.269 31.700 0.074 0.000 0.876 82 K N 2.318 122.377 120.400 -0.569 0.000 2.103 82 K HA -0.159 4.162 4.320 0.001 0.000 0.207 82 K C 1.718 178.119 176.600 -0.331 0.000 1.048 82 K CA 1.186 57.018 56.287 -0.758 0.000 0.930 82 K CB -0.389 31.407 32.500 -1.172 0.000 0.716 82 K HN 0.423 nan 8.250 nan 0.000 0.444 83 I N 0.773 121.201 120.570 -0.237 0.000 2.530 83 I HA -0.249 3.921 4.170 0.001 0.000 0.257 83 I C 1.463 177.536 176.117 -0.075 0.000 1.179 83 I CA 0.783 62.005 61.300 -0.130 0.000 1.440 83 I CB 0.147 38.091 38.000 -0.093 0.000 1.087 83 I HN -0.015 nan 8.210 nan 0.000 0.440 84 V N 0.768 120.648 119.914 -0.056 0.000 2.568 84 V HA -0.302 3.818 4.120 0.001 0.000 0.253 84 V C 2.343 178.431 176.094 -0.011 0.000 1.072 84 V CA 2.333 64.624 62.300 -0.015 0.000 1.084 84 V CB -1.162 30.671 31.823 0.016 0.000 0.676 84 V HN 0.519 nan 8.190 nan 0.000 0.469 85 T N 0.604 115.144 114.554 -0.024 0.000 2.674 85 T HA -0.175 4.176 4.350 0.001 0.000 0.265 85 T C 2.119 176.814 174.700 -0.009 0.000 1.039 85 T CA 1.719 63.817 62.100 -0.004 0.000 1.150 85 T CB -0.457 68.407 68.868 -0.006 0.000 0.864 85 T HN 0.589 nan 8.240 nan 0.000 0.427 86 A N 0.954 123.758 122.820 -0.027 0.000 1.933 86 A HA -0.012 4.309 4.320 0.001 0.000 0.218 86 A C 2.319 179.894 177.584 -0.016 0.000 1.175 86 A CA 1.194 53.217 52.037 -0.024 0.000 0.628 86 A CB -0.818 18.160 19.000 -0.036 0.000 0.814 86 A HN 0.524 nan 8.150 nan 0.000 0.444 87 I N -0.718 119.843 120.570 -0.016 0.000 2.179 87 I HA -0.263 3.908 4.170 0.001 0.000 0.242 87 I C 2.693 178.809 176.117 -0.001 0.000 1.088 87 I CA 1.231 62.525 61.300 -0.009 0.000 1.357 87 I CB -0.327 37.668 38.000 -0.007 0.000 1.051 87 I HN 0.323 nan 8.210 nan 0.000 0.409 88 Q N 0.468 120.270 119.800 0.004 0.000 2.167 88 Q HA -0.105 4.235 4.340 0.001 0.000 0.202 88 Q C 2.400 178.407 176.000 0.011 0.000 0.970 88 Q CA 1.583 57.393 55.803 0.011 0.000 0.855 88 Q CB -0.299 28.450 28.738 0.018 0.000 0.911 88 Q HN 0.564 nan 8.270 nan 0.000 0.438 89 A N 0.858 123.682 122.820 0.007 0.000 1.930 89 A HA -0.047 4.273 4.320 0.001 0.000 0.217 89 A C 2.294 179.879 177.584 0.002 0.000 1.175 89 A CA 1.657 53.698 52.037 0.007 0.000 0.627 89 A CB -0.491 18.511 19.000 0.003 0.000 0.815 89 A HN 0.349 nan 8.150 nan 0.000 0.443 90 A N 0.369 123.188 122.820 -0.002 0.000 1.898 90 A HA -0.166 4.154 4.320 0.001 0.000 0.216 90 A C 1.867 179.451 177.584 -0.001 0.000 1.181 90 A CA 1.621 53.656 52.037 -0.004 0.000 0.620 90 A CB -0.600 18.396 19.000 -0.006 0.000 0.819 90 A HN 0.518 nan 8.150 nan 0.000 0.442 91 N N -0.165 118.536 118.700 0.002 0.000 2.272 91 N HA -0.121 4.619 4.740 0.001 0.000 0.185 91 N C 1.567 177.080 175.510 0.005 0.000 1.014 91 N CA 1.278 54.330 53.050 0.004 0.000 0.870 91 N CB -0.387 38.103 38.487 0.006 0.000 0.975 91 N HN 0.382 nan 8.380 nan 0.000 0.433 92 M N 0.415 120.020 119.600 0.007 0.000 2.202 92 M HA -0.087 4.394 4.480 0.001 0.000 0.262 92 M C 1.963 178.264 176.300 0.002 0.000 1.063 92 M CA 1.333 56.639 55.300 0.009 0.000 1.097 92 M CB -1.459 31.150 32.600 0.015 0.000 1.382 92 M HN 0.261 nan 8.290 nan 0.000 0.413 93 T N -2.539 112.013 114.554 -0.002 0.000 3.055 93 T HA -0.014 4.337 4.350 0.001 0.000 0.265 93 T C 1.773 176.468 174.700 -0.008 0.000 1.111 93 T CA 0.581 62.676 62.100 -0.008 0.000 1.118 93 T CB -0.166 68.696 68.868 -0.009 0.000 0.909 93 T HN 0.395 nan 8.240 nan 0.000 0.501 94 R N 0.474 120.971 120.500 -0.004 0.000 2.300 94 R HA 0.330 4.671 4.340 0.001 0.000 0.199 94 R C 1.709 178.007 176.300 -0.002 0.000 0.920 94 R CA 0.361 56.459 56.100 -0.003 0.000 1.046 94 R CB 0.077 30.376 30.300 -0.002 0.000 0.984 94 R HN 0.542 nan 8.270 nan 0.000 0.493 95 G N 1.420 110.219 108.800 -0.001 0.000 2.160 95 G HA2 -0.314 3.646 3.960 0.001 0.000 0.251 95 G HA3 -0.314 3.646 3.960 0.001 0.000 0.251 95 G C 0.752 175.655 174.900 0.004 0.000 1.008 95 G CA 0.937 46.037 45.100 0.001 0.000 0.724 95 G HN 0.463 nan 8.290 nan 0.000 0.514 96 T N -2.157 112.400 114.554 0.005 0.000 3.060 96 T HA 0.363 4.714 4.350 0.001 0.000 0.249 96 T C 1.403 176.109 174.700 0.009 0.000 1.079 96 T CA 1.183 63.286 62.100 0.007 0.000 1.013 96 T CB 0.260 69.131 68.868 0.006 0.000 0.975 96 T HN 1.235 nan 8.240 nan 0.000 0.518 97 T N -1.090 113.471 114.554 0.011 0.000 2.788 97 T HA 0.538 4.888 4.350 0.001 0.000 0.287 97 T C 1.804 176.512 174.700 0.014 0.000 1.007 97 T CA -0.071 62.038 62.100 0.014 0.000 1.005 97 T CB 0.950 69.829 68.868 0.018 0.000 1.012 97 T HN 0.104 nan 8.240 nan 0.000 0.530 98 G N -0.333 108.476 108.800 0.016 0.000 2.446 98 G HA2 -0.190 3.770 3.960 0.001 0.000 0.217 98 G HA3 -0.190 3.770 3.960 0.001 0.000 0.217 98 G C 1.529 176.437 174.900 0.014 0.000 1.168 98 G CA 0.865 45.972 45.100 0.013 0.000 0.771 98 G HN 0.743 nan 8.290 nan 0.000 0.551 99 V N 0.291 120.217 119.914 0.019 0.000 2.427 99 V HA -0.165 3.956 4.120 0.001 0.000 0.248 99 V C 2.857 178.966 176.094 0.025 0.000 1.051 99 V CA 2.190 64.504 62.300 0.025 0.000 1.048 99 V CB -0.698 31.146 31.823 0.036 0.000 0.666 99 V HN 0.478 nan 8.190 nan 0.000 0.456 100 C N -0.620 118.693 119.300 0.022 0.000 2.432 100 C HA -0.109 4.351 4.460 0.001 0.000 0.277 100 C C 2.645 177.644 174.990 0.014 0.000 1.249 100 C CA 1.330 60.359 59.018 0.018 0.000 1.725 100 C CB -0.987 26.760 27.740 0.013 0.000 2.028 100 C HN 0.501 nan 8.230 nan 0.000 0.477 101 V N 0.854 120.775 119.914 0.012 0.000 2.343 101 V HA -0.197 3.923 4.120 0.001 0.000 0.247 101 V C 2.282 178.383 176.094 0.011 0.000 1.051 101 V CA 1.809 64.115 62.300 0.010 0.000 1.036 101 V CB -0.555 31.273 31.823 0.009 0.000 0.654 101 V HN 0.556 nan 8.190 nan 0.000 0.451 102 L N -0.199 121.031 121.223 0.012 0.000 2.156 102 L HA -0.051 4.290 4.340 0.001 0.000 0.208 102 L C 2.681 179.561 176.870 0.016 0.000 1.095 102 L CA 1.236 56.083 54.840 0.012 0.000 0.770 102 L CB -0.731 41.333 42.059 0.008 0.000 0.914 102 L HN 0.347 nan 8.230 nan 0.000 0.439 103 A N 0.248 123.081 122.820 0.021 0.000 1.898 103 A HA -0.121 4.200 4.320 0.001 0.000 0.216 103 A C 2.537 180.132 177.584 0.017 0.000 1.181 103 A CA 1.575 53.627 52.037 0.025 0.000 0.620 103 A CB -0.582 18.438 19.000 0.034 0.000 0.819 103 A HN 0.370 nan 8.150 nan 0.000 0.442 104 A N -1.043 121.785 122.820 0.013 0.000 1.933 104 A HA -0.180 4.141 4.320 0.001 0.000 0.218 104 A C 2.123 179.712 177.584 0.007 0.000 1.175 104 A CA 2.035 54.077 52.037 0.008 0.000 0.628 104 A CB -0.462 18.541 19.000 0.006 0.000 0.814 104 A HN 0.511 nan 8.150 nan 0.000 0.444 105 Q N -0.273 119.532 119.800 0.009 0.000 2.170 105 Q HA 0.039 4.380 4.340 0.001 0.000 0.203 105 Q C 1.725 177.730 176.000 0.009 0.000 0.976 105 Q CA 1.750 57.558 55.803 0.009 0.000 0.858 105 Q CB -0.452 28.291 28.738 0.010 0.000 0.907 105 Q HN 0.570 nan 8.270 nan 0.000 0.433 106 A N -1.290 121.536 122.820 0.011 0.000 2.275 106 A HA 0.458 4.778 4.320 0.001 0.000 0.212 106 A C 1.289 178.876 177.584 0.005 0.000 1.201 106 A CA 0.533 52.575 52.037 0.010 0.000 0.843 106 A CB -0.513 18.496 19.000 0.015 0.000 0.873 106 A HN 0.524 nan 8.150 nan 0.000 0.492 107 G N -1.494 107.309 108.800 0.004 0.000 2.176 107 G HA2 0.094 4.054 3.960 0.001 0.000 0.252 107 G HA3 0.094 4.054 3.960 0.001 0.000 0.252 107 G C 0.296 175.196 174.900 0.000 0.000 1.024 107 G CA 0.500 45.600 45.100 0.000 0.000 0.755 107 G HN 1.588 nan 8.290 nan 0.000 0.507 108 A N -1.084 121.741 122.820 0.008 0.000 2.320 108 A HA 1.023 5.343 4.320 0.001 0.000 0.334 108 A C 0.259 177.861 177.584 0.029 0.000 1.147 108 A CA 0.659 52.705 52.037 0.016 0.000 0.820 108 A CB 1.146 20.160 19.000 0.023 0.000 1.218 108 A HN 1.695 nan 8.150 nan 0.000 0.482 109 K N 0.522 120.953 120.400 0.051 0.000 2.156 109 K HA 0.640 4.960 4.320 0.001 0.000 0.271 109 K C -0.716 175.950 176.600 0.111 0.000 0.995 109 K CA -0.512 55.804 56.287 0.049 0.000 0.890 109 K CB 1.190 33.715 32.500 0.041 0.000 1.073 109 K HN 0.882 nan 8.250 nan 0.000 0.454 110 V N 4.296 124.235 119.914 0.042 0.000 2.407 110 V HA 0.283 4.404 4.120 0.001 0.000 0.278 110 V C -0.177 175.929 176.094 0.021 0.000 1.037 110 V CA -0.757 61.594 62.300 0.085 0.000 0.900 110 V CB 0.788 32.640 31.823 0.048 0.000 0.983 110 V HN 0.896 nan 8.190 nan 0.000 0.459 111 H N 3.559 122.687 119.070 0.095 0.000 2.541 111 H HA 0.424 4.981 4.556 0.001 0.000 0.316 111 H C -0.844 174.529 175.328 0.075 0.000 1.043 111 H CA -0.490 55.628 56.048 0.116 0.000 1.232 111 H CB 2.044 31.934 29.762 0.214 0.000 1.406 111 H HN 0.410 nan 8.280 nan 0.000 0.469 112 V N 6.591 126.568 119.914 0.105 0.000 2.350 112 V HA 0.265 4.386 4.120 0.001 0.000 0.276 112 V C 0.454 176.560 176.094 0.021 0.000 1.028 112 V CA -0.440 61.894 62.300 0.057 0.000 0.860 112 V CB 0.871 32.710 31.823 0.026 0.000 0.990 112 V HN 0.566 nan 8.190 nan 0.000 0.453 113 I N 3.696 124.264 120.570 -0.003 0.000 2.406 113 I HA 0.391 4.562 4.170 0.001 0.000 0.290 113 I C -0.528 175.557 176.117 -0.052 0.000 0.999 113 I CA -0.466 60.793 61.300 -0.069 0.000 1.124 113 I CB 1.999 39.918 38.000 -0.135 0.000 1.289 113 I HN 0.491 nan 8.210 nan 0.000 0.441 114 D N 6.147 126.507 120.400 -0.065 0.000 2.380 114 D HA 0.205 4.846 4.640 0.001 0.000 0.230 114 D C 0.602 176.854 176.300 -0.079 0.000 1.154 114 D CA -0.349 53.619 54.000 -0.053 0.000 0.859 114 D CB 1.595 42.365 40.800 -0.050 0.000 1.045 114 D HN 0.364 nan 8.370 nan 0.000 0.495 115 V N 1.568 121.445 119.914 -0.061 0.000 3.621 115 V HA 0.556 4.676 4.120 0.001 0.000 0.285 115 V C 0.990 176.992 176.094 -0.153 0.000 1.346 115 V CA 0.400 62.636 62.300 -0.107 0.000 1.104 115 V CB 0.300 32.094 31.823 -0.049 0.000 0.913 115 V HN 0.619 nan 8.190 nan 0.000 0.432 116 G N 0.630 109.407 108.800 -0.039 0.000 4.445 116 G HA2 0.212 4.172 3.960 0.001 0.000 0.228 116 G HA3 0.212 4.172 3.960 0.001 0.000 0.228 116 G C -0.403 174.542 174.900 0.075 0.000 2.381 116 G CA -0.578 44.549 45.100 0.046 0.000 0.984 116 G HN 0.318 nan 8.290 nan 0.000 0.427 117 I N 0.910 121.486 120.570 0.011 0.000 2.529 117 I HA 0.153 4.324 4.170 0.001 0.000 0.284 117 I C 0.033 176.143 176.117 -0.012 0.000 1.082 117 I CA -0.216 61.082 61.300 -0.003 0.000 1.406 117 I CB 1.203 39.194 38.000 -0.015 0.000 1.405 117 I HN 0.041 nan 8.210 nan 0.000 0.548 118 D N 6.338 126.722 120.400 -0.027 0.000 2.563 118 D HA 0.557 5.197 4.640 0.001 0.000 0.222 118 D C -0.478 175.792 176.300 -0.050 0.000 1.145 118 D CA 0.163 54.142 54.000 -0.035 0.000 1.001 118 D CB 0.058 40.826 40.800 -0.054 0.000 1.049 118 D HN 0.653 nan 8.370 nan 0.000 0.515 119 A N 2.241 125.038 122.820 -0.039 0.000 2.515 119 A HA 0.381 4.701 4.320 0.001 0.000 0.292 119 A C -0.607 176.958 177.584 -0.031 0.000 1.065 119 A CA -0.860 51.154 52.037 -0.039 0.000 0.641 119 A CB 0.610 19.584 19.000 -0.043 0.000 1.306 119 A HN 0.241 nan 8.150 nan 0.000 0.441 120 E N 0.733 120.916 120.200 -0.029 0.000 2.404 120 E HA 0.338 4.688 4.350 0.001 0.000 0.261 120 E C -2.190 174.394 176.600 -0.026 0.000 1.074 120 E CA -1.227 55.158 56.400 -0.025 0.000 0.917 120 E CB 0.063 29.750 29.700 -0.022 0.000 0.965 120 E HN 0.328 nan 8.360 nan 0.000 0.433 121 P HA -0.041 nan 4.420 nan 0.000 0.265 121 P C -0.757 176.529 177.300 -0.023 0.000 1.187 121 P CA 0.664 63.748 63.100 -0.027 0.000 0.766 121 P CB 0.337 32.021 31.700 -0.028 0.000 0.820 122 I N 5.200 125.756 120.570 -0.023 0.000 2.321 122 I HA 0.266 4.436 4.170 0.001 0.000 0.291 122 I C -2.031 174.076 176.117 -0.016 0.000 0.998 122 I CA -2.529 58.761 61.300 -0.018 0.000 1.227 122 I CB 1.284 39.273 38.000 -0.017 0.000 1.368 122 I HN 0.163 nan 8.210 nan 0.000 0.466 123 P HA 0.124 nan 4.420 nan 0.000 0.268 123 P C 0.862 178.156 177.300 -0.011 0.000 1.205 123 P CA 0.526 63.619 63.100 -0.012 0.000 0.771 123 P CB 0.750 32.444 31.700 -0.010 0.000 0.858 124 G N 0.846 109.640 108.800 -0.010 0.000 2.241 124 G HA2 -0.210 3.751 3.960 0.001 0.000 0.244 124 G HA3 -0.210 3.751 3.960 0.001 0.000 0.244 124 G C 0.055 174.949 174.900 -0.009 0.000 0.998 124 G CA -0.070 45.025 45.100 -0.009 0.000 0.621 124 G HN 0.542 nan 8.290 nan 0.000 0.519 125 V N 1.862 121.769 119.914 -0.012 0.000 2.481 125 V HA 0.536 4.657 4.120 0.001 0.000 0.286 125 V C 1.157 177.237 176.094 -0.024 0.000 1.042 125 V CA -0.708 61.583 62.300 -0.015 0.000 0.928 125 V CB 1.809 33.621 31.823 -0.018 0.000 0.986 125 V HN 0.301 nan 8.190 nan 0.000 0.462 126 V N 4.376 124.271 119.914 -0.031 0.000 2.529 126 V HA 0.058 4.179 4.120 0.001 0.000 0.292 126 V C 0.595 176.636 176.094 -0.089 0.000 1.028 126 V CA -0.044 62.218 62.300 -0.064 0.000 1.074 126 V CB 0.645 32.388 31.823 -0.133 0.000 0.958 126 V HN 0.892 nan 8.190 nan 0.000 0.481 127 N N 5.614 124.266 118.700 -0.079 0.000 2.439 127 N HA 0.412 5.153 4.740 0.001 0.000 0.249 127 N C -0.217 175.229 175.510 -0.106 0.000 1.003 127 N CA -0.141 52.860 53.050 -0.082 0.000 0.942 127 N CB 0.938 39.390 38.487 -0.058 0.000 1.115 127 N HN 0.700 nan 8.380 nan 0.000 0.505 128 M N 2.736 122.260 119.600 -0.127 0.000 2.848 128 M HA 0.155 4.635 4.480 0.001 0.000 0.420 128 M C -0.289 175.911 176.300 -0.167 0.000 1.304 128 M CA -0.462 54.752 55.300 -0.142 0.000 0.844 128 M CB 0.644 33.144 32.600 -0.166 0.000 1.451 128 M HN 0.287 nan 8.290 nan 0.000 0.511 129 R N -0.346 120.059 120.500 -0.157 0.000 2.484 129 R HA 0.209 4.550 4.340 0.001 0.000 0.293 129 R C 0.569 176.698 176.300 -0.285 0.000 1.023 129 R CA -0.338 55.638 56.100 -0.206 0.000 1.037 129 R CB 0.483 30.698 30.300 -0.141 0.000 0.951 129 R HN -0.010 nan 8.270 nan 0.000 0.418 130 V N 1.725 121.331 119.914 -0.513 0.000 2.379 130 V HA 0.089 4.210 4.120 0.001 0.000 0.243 130 V C 0.991 176.832 176.094 -0.422 0.000 1.035 130 V CA 1.899 63.838 62.300 -0.602 0.000 1.035 130 V CB -0.423 30.689 31.823 -1.184 0.000 0.673 130 V HN 0.997 nan 8.190 nan 0.000 0.457 131 A N -1.086 121.497 122.820 -0.395 0.000 2.564 131 A HA 0.624 4.944 4.320 0.001 0.000 0.291 131 A C -0.535 177.065 177.584 0.027 0.000 1.102 131 A CA -0.774 51.215 52.037 -0.079 0.000 0.660 131 A CB 0.803 19.850 19.000 0.079 0.000 1.283 131 A HN 0.118 nan 8.150 nan 0.000 0.430 132 R N 0.732 121.259 120.500 0.045 0.000 2.893 132 R HA 0.440 4.780 4.340 0.001 0.000 0.243 132 R C 0.501 176.847 176.300 0.078 0.000 1.481 132 R CA 1.242 57.366 56.100 0.040 0.000 1.250 132 R CB -0.273 30.033 30.300 0.009 0.000 1.213 132 R HN 1.915 nan 8.270 nan 0.000 0.609 133 G N 1.042 109.927 108.800 0.141 0.000 2.721 133 G HA2 -0.233 3.728 3.960 0.001 0.000 0.686 133 G HA3 -0.233 3.728 3.960 0.001 0.000 0.686 133 G C 0.030 174.983 174.900 0.089 0.000 1.236 133 G CA -0.643 44.503 45.100 0.077 0.000 0.786 133 G HN 0.706 nan 8.290 nan 0.000 0.616 134 C N 1.227 120.366 119.300 -0.268 0.000 2.347 134 C HA 0.983 5.444 4.460 0.001 0.000 0.366 134 C C 1.574 176.447 174.990 -0.195 0.000 1.241 134 C CA 0.074 58.784 59.018 -0.512 0.000 2.360 134 C CB 0.855 27.910 27.740 -1.142 0.000 2.290 134 C HN 2.285 nan 8.230 nan 0.000 0.587 135 G N 1.133 109.850 108.800 -0.140 0.000 2.614 135 G HA2 0.228 4.188 3.960 0.001 0.000 0.239 135 G HA3 0.228 4.188 3.960 0.001 0.000 0.239 135 G C 0.031 174.908 174.900 -0.038 0.000 1.240 135 G CA -0.180 44.889 45.100 -0.052 0.000 0.842 135 G HN 1.014 nan 8.290 nan 0.000 0.584 136 N N 1.040 119.740 118.700 0.001 0.000 2.406 136 N HA -0.021 4.720 4.740 0.001 0.000 0.265 136 N C 1.820 177.331 175.510 0.002 0.000 1.203 136 N CA -0.530 52.532 53.050 0.019 0.000 0.945 136 N CB 0.340 38.846 38.487 0.031 0.000 1.165 136 N HN 0.485 nan 8.380 nan 0.000 0.485 137 I N 1.214 121.784 120.570 -0.000 0.000 2.850 137 I HA -0.087 4.083 4.170 0.001 0.000 0.266 137 I C 1.462 177.572 176.117 -0.013 0.000 1.257 137 I CA 0.908 62.200 61.300 -0.012 0.000 1.465 137 I CB -0.215 37.777 38.000 -0.014 0.000 1.091 137 I HN 0.372 nan 8.210 nan 0.000 0.467 138 A N 1.582 124.398 122.820 -0.007 0.000 2.066 138 A HA 0.035 4.355 4.320 0.001 0.000 0.218 138 A C 2.181 179.759 177.584 -0.011 0.000 1.157 138 A CA 1.623 53.653 52.037 -0.012 0.000 0.670 138 A CB -0.480 18.513 19.000 -0.012 0.000 0.804 138 A HN 0.565 nan 8.150 nan 0.000 0.453 139 V N -5.429 114.481 119.914 -0.007 0.000 3.477 139 V HA 0.655 4.775 4.120 0.001 0.000 0.297 139 V C 0.649 176.739 176.094 -0.006 0.000 1.433 139 V CA 0.516 62.812 62.300 -0.005 0.000 1.052 139 V CB -0.327 31.496 31.823 -0.000 0.000 0.895 139 V HN 0.879 nan 8.190 nan 0.000 0.438 140 G N 0.529 109.324 108.800 -0.009 0.000 2.341 140 G HA2 0.462 4.423 3.960 0.001 0.000 0.299 140 G HA3 0.462 4.423 3.960 0.001 0.000 0.299 140 G C -3.523 171.367 174.900 -0.016 0.000 1.274 140 G CA -0.284 44.810 45.100 -0.010 0.000 0.853 140 G HN 0.083 nan 8.290 nan 0.000 0.493 141 P HA 0.385 nan 4.420 nan 0.000 0.274 141 P C 0.749 178.028 177.300 -0.034 0.000 1.231 141 P CA 0.627 63.714 63.100 -0.022 0.000 0.790 141 P CB 1.825 33.517 31.700 -0.012 0.000 0.951 142 A N 3.449 126.235 122.820 -0.058 0.000 1.968 142 A HA 0.044 4.364 4.320 0.001 0.000 0.217 142 A C 1.367 178.877 177.584 -0.124 0.000 1.169 142 A CA 1.603 53.566 52.037 -0.124 0.000 0.638 142 A CB -0.678 18.222 19.000 -0.166 0.000 0.812 142 A HN 0.775 nan 8.150 nan 0.000 0.446 143 M N -3.225 116.356 119.600 -0.032 0.000 3.084 143 M HA 0.471 4.951 4.480 0.001 0.000 0.273 143 M C -0.633 175.702 176.300 0.057 0.000 1.242 143 M CA -0.354 54.984 55.300 0.063 0.000 0.819 143 M CB 1.367 34.081 32.600 0.192 0.000 1.625 143 M HN 0.140 nan 8.290 nan 0.000 0.493 144 S N 0.068 115.812 115.700 0.074 0.000 2.632 144 S HA 0.429 4.900 4.470 0.001 0.000 0.271 144 S C 0.685 175.314 174.600 0.048 0.000 1.260 144 S CA -0.537 57.692 58.200 0.047 0.000 1.010 144 S CB 1.980 65.204 63.200 0.040 0.000 0.965 144 S HN 0.929 nan 8.310 nan 0.000 0.534 145 R N -0.312 120.208 120.500 0.033 0.000 2.091 145 R HA -0.080 4.260 4.340 0.001 0.000 0.238 145 R C 1.900 178.219 176.300 0.031 0.000 1.136 145 R CA 1.243 57.362 56.100 0.031 0.000 0.959 145 R CB -0.630 29.683 30.300 0.022 0.000 0.856 145 R HN 0.732 nan 8.270 nan 0.000 0.437 146 L N 1.257 122.496 121.223 0.025 0.000 2.042 146 L HA -0.220 4.121 4.340 0.001 0.000 0.210 146 L C 2.379 179.260 176.870 0.020 0.000 1.076 146 L CA 1.811 56.662 54.840 0.018 0.000 0.749 146 L CB -0.394 41.672 42.059 0.012 0.000 0.893 146 L HN 0.236 nan 8.230 nan 0.000 0.432 147 Q N -1.580 118.240 119.800 0.034 0.000 2.084 147 Q HA -0.200 4.141 4.340 0.001 0.000 0.202 147 Q C 2.275 178.305 176.000 0.050 0.000 0.978 147 Q CA 1.545 57.370 55.803 0.037 0.000 0.844 147 Q CB -0.299 28.490 28.738 0.085 0.000 0.898 147 Q HN 0.644 nan 8.270 nan 0.000 0.426 148 A N 1.324 124.188 122.820 0.073 0.000 1.858 148 A HA -0.242 4.079 4.320 0.001 0.000 0.216 148 A C 1.834 179.443 177.584 0.041 0.000 1.190 148 A CA 1.604 53.686 52.037 0.075 0.000 0.617 148 A CB -0.479 18.563 19.000 0.071 0.000 0.827 148 A HN 0.340 nan 8.150 nan 0.000 0.443 149 E N -0.222 119.995 120.200 0.028 0.000 2.110 149 E HA -0.121 4.229 4.350 0.001 0.000 0.193 149 E C 2.298 178.900 176.600 0.003 0.000 0.988 149 E CA 0.925 57.334 56.400 0.015 0.000 0.804 149 E CB -0.308 29.398 29.700 0.012 0.000 0.745 149 E HN 0.619 nan 8.360 nan 0.000 0.458 150 A N 1.252 124.071 122.820 -0.002 0.000 1.902 150 A HA -0.172 4.149 4.320 0.001 0.000 0.217 150 A C 2.166 179.735 177.584 -0.026 0.000 1.181 150 A CA 1.060 53.086 52.037 -0.017 0.000 0.623 150 A CB -0.498 18.487 19.000 -0.026 0.000 0.818 150 A HN 0.206 nan 8.150 nan 0.000 0.443 151 L N -0.266 120.941 121.223 -0.027 0.000 2.056 151 L HA -0.053 4.287 4.340 0.001 0.000 0.207 151 L C 2.301 179.160 176.870 -0.020 0.000 1.078 151 L CA 1.436 56.254 54.840 -0.037 0.000 0.749 151 L CB -0.531 41.510 42.059 -0.030 0.000 0.901 151 L HN 0.410 nan 8.230 nan 0.000 0.433 152 L N -1.461 119.759 121.223 -0.004 0.000 2.013 152 L HA -0.269 4.071 4.340 0.001 0.000 0.212 152 L C 2.483 179.343 176.870 -0.017 0.000 1.073 152 L CA 1.017 55.853 54.840 -0.006 0.000 0.753 152 L CB -0.691 41.368 42.059 0.001 0.000 0.890 152 L HN 0.315 nan 8.230 nan 0.000 0.432 153 L N -0.159 121.055 121.223 -0.016 0.000 2.017 153 L HA -0.217 4.123 4.340 0.001 0.000 0.208 153 L C 2.607 179.469 176.870 -0.014 0.000 1.073 153 L CA 1.853 56.683 54.840 -0.017 0.000 0.745 153 L CB -0.962 41.089 42.059 -0.015 0.000 0.894 153 L HN 0.369 nan 8.230 nan 0.000 0.432 154 E N -0.731 119.459 120.200 -0.017 0.000 2.051 154 E HA -0.181 4.169 4.350 0.001 0.000 0.192 154 E C 2.149 178.753 176.600 0.007 0.000 0.991 154 E CA 1.457 57.851 56.400 -0.011 0.000 0.799 154 E CB 0.084 29.763 29.700 -0.036 0.000 0.748 154 E HN 0.338 nan 8.360 nan 0.000 0.449 155 V N 1.461 121.368 119.914 -0.012 0.000 2.358 155 V HA -0.233 3.888 4.120 0.001 0.000 0.246 155 V C 2.590 178.693 176.094 0.015 0.000 1.047 155 V CA 1.877 64.177 62.300 0.001 0.000 1.035 155 V CB -0.581 31.227 31.823 -0.025 0.000 0.658 155 V HN 0.319 nan 8.190 nan 0.000 0.452 156 S N 1.084 116.770 115.700 -0.023 0.000 2.402 156 S HA -0.209 4.262 4.470 0.001 0.000 0.229 156 S C 2.241 176.809 174.600 -0.053 0.000 1.021 156 S CA 1.565 59.728 58.200 -0.062 0.000 0.974 156 S CB -0.575 62.585 63.200 -0.066 0.000 0.800 156 S HN 0.597 nan 8.310 nan 0.000 0.484 157 R N 0.592 121.086 120.500 -0.011 0.000 2.073 157 R HA 0.066 4.407 4.340 0.001 0.000 0.229 157 R C 2.124 178.435 176.300 0.018 0.000 1.120 157 R CA 1.515 57.612 56.100 -0.004 0.000 0.967 157 R CB -2.084 28.223 30.300 0.012 0.000 0.862 157 R HN 0.695 nan 8.270 nan 0.000 0.436 158 Y N 2.087 122.348 120.300 -0.066 0.000 2.165 158 Y HA -0.223 4.328 4.550 0.001 0.000 0.286 158 Y C 2.570 178.422 175.900 -0.079 0.000 1.155 158 Y CA 2.564 60.631 58.100 -0.055 0.000 1.164 158 Y CB -0.362 38.069 38.460 -0.048 0.000 0.978 158 Y HN 0.321 nan 8.280 nan 0.000 0.513 159 T N -1.012 113.515 114.554 -0.046 0.000 2.652 159 T HA -0.289 4.062 4.350 0.001 0.000 0.267 159 T C 2.025 176.571 174.700 -0.257 0.000 1.039 159 T CA 1.645 63.594 62.100 -0.252 0.000 1.153 159 T CB -1.205 67.436 68.868 -0.380 0.000 0.863 159 T HN 0.573 nan 8.240 nan 0.000 0.428 160 c N 1.948 120.435 118.600 -0.188 0.000 2.432 160 c HA 0.025 4.595 4.570 0.001 0.000 0.282 160 c C 2.918 176.967 174.090 -0.068 0.000 1.388 160 c CA 0.961 57.224 56.329 -0.111 0.000 1.777 160 c CB -1.575 40.872 42.510 -0.105 0.000 1.882 160 c HN 0.760 nan 8.230 nan 0.000 0.520 161 D N -0.068 120.266 120.400 -0.111 0.000 2.144 161 D HA -0.071 4.569 4.640 0.001 0.000 0.200 161 D C 1.934 178.162 176.300 -0.119 0.000 0.978 161 D CA 1.346 55.279 54.000 -0.113 0.000 0.833 161 D CB -0.534 40.180 40.800 -0.143 0.000 0.961 161 D HN 0.583 nan 8.370 nan 0.000 0.470 162 L N -0.086 121.041 121.223 -0.161 0.000 2.131 162 L HA -0.040 4.301 4.340 0.001 0.000 0.210 162 L C 3.328 180.199 176.870 0.001 0.000 1.092 162 L CA 1.009 55.787 54.840 -0.103 0.000 0.759 162 L CB -0.315 41.695 42.059 -0.082 0.000 0.903 162 L HN 0.373 nan 8.230 nan 0.000 0.435 163 A N -0.419 122.454 122.820 0.087 0.000 1.940 163 A HA -0.270 4.051 4.320 0.001 0.000 0.219 163 A C 2.177 179.764 177.584 0.005 0.000 1.176 163 A CA 1.590 53.673 52.037 0.078 0.000 0.631 163 A CB -0.426 18.636 19.000 0.104 0.000 0.814 163 A HN 0.499 nan 8.150 nan 0.000 0.446 164 Q N -1.529 118.263 119.800 -0.012 0.000 2.369 164 Q HA -0.082 4.259 4.340 0.001 0.000 0.206 164 Q C 2.091 178.076 176.000 -0.025 0.000 0.963 164 Q CA 1.104 56.895 55.803 -0.020 0.000 0.894 164 Q CB -0.221 28.502 28.738 -0.025 0.000 0.965 164 Q HN 0.715 nan 8.270 nan 0.000 0.475 165 R N 0.182 120.663 120.500 -0.032 0.000 2.356 165 R HA 0.249 4.590 4.340 0.001 0.000 0.234 165 R C 1.282 177.562 176.300 -0.035 0.000 0.929 165 R CA 0.836 56.919 56.100 -0.029 0.000 1.084 165 R CB -0.468 29.815 30.300 -0.028 0.000 1.105 165 R HN 0.417 nan 8.270 nan 0.000 0.515 166 G N -1.205 107.570 108.800 -0.042 0.000 2.176 166 G HA2 -0.195 3.766 3.960 0.001 0.000 0.232 166 G HA3 -0.195 3.766 3.960 0.001 0.000 0.232 166 G C 0.261 175.107 174.900 -0.091 0.000 0.986 166 G CA 0.044 45.112 45.100 -0.053 0.000 0.643 166 G HN 0.662 nan 8.290 nan 0.000 0.522 167 V N 2.001 121.838 119.914 -0.127 0.000 2.521 167 V HA 0.485 4.606 4.120 0.001 0.000 0.286 167 V C 1.602 177.517 176.094 -0.298 0.000 1.034 167 V CA 1.333 63.472 62.300 -0.267 0.000 1.045 167 V CB 1.225 32.797 31.823 -0.417 0.000 0.974 167 V HN 0.775 nan 8.190 nan 0.000 0.480 168 T N 1.718 116.090 114.554 -0.303 0.000 2.975 168 T HA 0.334 4.684 4.350 0.001 0.000 0.261 168 T C -0.183 174.382 174.700 -0.225 0.000 0.984 168 T CA -0.062 61.921 62.100 -0.195 0.000 0.911 168 T CB 0.271 69.080 68.868 -0.098 0.000 1.127 168 T HN 0.296 nan 8.240 nan 0.000 0.514 169 L N 1.300 122.289 121.223 -0.389 0.000 2.439 169 L HA 0.745 5.086 4.340 0.001 0.000 0.270 169 L C -1.961 174.668 176.870 -0.402 0.000 0.972 169 L CA -1.333 53.358 54.840 -0.247 0.000 0.836 169 L CB 1.396 43.392 42.059 -0.105 0.000 1.255 169 L HN 0.109 nan 8.230 nan 0.000 0.404 170 F N 2.502 122.467 119.950 0.024 0.000 2.470 170 F HA 0.866 5.394 4.527 0.001 0.000 0.329 170 F C 0.974 176.801 175.800 0.046 0.000 1.072 170 F CA -0.399 57.616 58.000 0.024 0.000 0.989 170 F CB 2.254 41.260 39.000 0.009 0.000 1.193 170 F HN 0.575 nan 8.300 nan 0.000 0.481 171 G N 0.441 109.393 108.800 0.253 0.000 2.591 171 G HA2 0.606 4.566 3.960 0.001 0.000 0.306 171 G HA3 0.606 4.566 3.960 0.001 0.000 0.306 171 G C -1.593 173.408 174.900 0.169 0.000 1.334 171 G CA -0.902 44.305 45.100 0.177 0.000 0.981 171 G HN 0.676 nan 8.290 nan 0.000 0.491 172 V N -0.081 119.913 119.914 0.133 0.000 2.630 172 V HA 1.042 5.163 4.120 0.001 0.000 0.305 172 V C 0.424 176.572 176.094 0.089 0.000 1.046 172 V CA -0.154 62.208 62.300 0.103 0.000 0.934 172 V CB 1.272 33.140 31.823 0.074 0.000 1.003 172 V HN 1.338 nan 8.190 nan 0.000 0.451 173 G N 2.681 111.528 108.800 0.079 0.000 2.682 173 G HA2 0.805 4.766 3.960 0.001 0.000 0.290 173 G HA3 0.805 4.766 3.960 0.001 0.000 0.290 173 G C -1.503 173.434 174.900 0.062 0.000 1.425 173 G CA -0.319 44.822 45.100 0.069 0.000 0.807 173 G HN 1.210 nan 8.290 nan 0.000 0.482 174 E N -1.454 118.781 120.200 0.059 0.000 2.454 174 E HA 0.801 5.152 4.350 0.001 0.000 0.279 174 E C -1.835 174.805 176.600 0.066 0.000 1.029 174 E CA -1.060 55.379 56.400 0.065 0.000 0.831 174 E CB 2.134 31.875 29.700 0.068 0.000 1.405 174 E HN 0.839 nan 8.360 nan 0.000 0.463 175 L N -0.171 121.099 121.223 0.078 0.000 2.614 175 L HA 0.803 5.143 4.340 0.001 0.000 0.264 175 L C -1.238 175.695 176.870 0.106 0.000 0.940 175 L CA 0.571 55.456 54.840 0.075 0.000 0.903 175 L CB 2.067 44.160 42.059 0.056 0.000 1.306 175 L HN 0.954 nan 8.230 nan 0.000 0.410 176 G N 5.326 114.198 108.800 0.121 0.000 1.885 176 G HA2 0.368 4.329 3.960 0.001 0.000 0.309 176 G HA3 0.368 4.329 3.960 0.001 0.000 0.309 176 G C -1.054 173.940 174.900 0.157 0.000 1.751 176 G CA -0.884 44.330 45.100 0.191 0.000 0.949 176 G HN 0.263 nan 8.290 nan 0.000 0.564 177 M N 1.653 121.339 119.600 0.145 0.000 2.260 177 M HA 0.366 4.847 4.480 0.001 0.000 0.348 177 M C 1.444 177.862 176.300 0.197 0.000 1.342 177 M CA 1.145 56.545 55.300 0.166 0.000 1.040 177 M CB 0.100 32.807 32.600 0.177 0.000 1.810 177 M HN 1.961 nan 8.290 nan 0.000 0.453 178 A N 3.200 126.096 122.820 0.126 0.000 3.383 178 A HA -0.244 4.076 4.320 0.001 0.000 0.264 178 A C 1.151 178.605 177.584 -0.217 0.000 1.154 178 A CA 1.202 53.254 52.037 0.025 0.000 1.179 178 A CB -2.387 16.710 19.000 0.162 0.000 1.133 178 A HN 0.920 nan 8.150 nan 0.000 0.933 179 N N 0.861 119.368 118.700 -0.323 0.000 2.520 179 N HA -0.081 4.659 4.740 0.001 0.000 0.185 179 N C 1.171 176.585 175.510 -0.160 0.000 1.068 179 N CA 2.171 54.930 53.050 -0.486 0.000 0.911 179 N CB -1.510 36.792 38.487 -0.309 0.000 0.961 179 N HN 1.114 nan 8.380 nan 0.000 0.446 180 T N -5.087 109.444 114.554 -0.037 0.000 3.118 180 T HA 0.043 4.394 4.350 0.001 0.000 0.260 180 T C 1.488 176.239 174.700 0.084 0.000 1.139 180 T CA 0.910 63.068 62.100 0.097 0.000 1.085 180 T CB -0.570 68.357 68.868 0.099 0.000 0.934 180 T HN 0.090 nan 8.240 nan 0.000 0.518 181 T N 2.809 117.355 114.554 -0.013 0.000 2.735 181 T HA 0.062 4.413 4.350 0.001 0.000 0.256 181 T C -0.484 174.216 174.700 0.000 0.000 1.042 181 T CA 1.030 63.126 62.100 -0.008 0.000 1.147 181 T CB -0.948 67.896 68.868 -0.040 0.000 0.865 181 T HN 0.392 nan 8.240 nan 0.000 0.421 182 P HA 0.023 nan 4.420 nan 0.000 0.220 182 P C 1.308 178.604 177.300 -0.006 0.000 1.148 182 P CA 1.089 64.178 63.100 -0.017 0.000 0.803 182 P CB -0.134 31.564 31.700 -0.004 0.000 0.782 183 A N 0.932 123.753 122.820 0.002 0.000 1.877 183 A HA -0.078 4.242 4.320 0.001 0.000 0.216 183 A C 2.523 180.118 177.584 0.018 0.000 1.186 183 A CA 2.250 54.260 52.037 -0.045 0.000 0.620 183 A CB -1.550 17.404 19.000 -0.077 0.000 0.822 183 A HN 0.231 nan 8.150 nan 0.000 0.443 184 A N -0.239 122.709 122.820 0.213 0.000 1.933 184 A HA 0.182 4.502 4.320 0.001 0.000 0.218 184 A C 2.492 180.133 177.584 0.096 0.000 1.175 184 A CA 2.025 54.218 52.037 0.260 0.000 0.628 184 A CB -0.970 18.154 19.000 0.207 0.000 0.814 184 A HN 1.035 nan 8.150 nan 0.000 0.444 185 A N -0.330 122.510 122.820 0.033 0.000 1.877 185 A HA -0.152 4.169 4.320 0.001 0.000 0.216 185 A C 2.281 179.823 177.584 -0.070 0.000 1.186 185 A CA 1.866 53.889 52.037 -0.022 0.000 0.620 185 A CB -0.573 18.405 19.000 -0.037 0.000 0.822 185 A HN 0.521 nan 8.150 nan 0.000 0.443 186 M N -0.688 118.869 119.600 -0.071 0.000 2.086 186 M HA -0.147 4.333 4.480 0.001 0.000 0.261 186 M C 2.173 178.445 176.300 -0.046 0.000 1.067 186 M CA 1.509 56.733 55.300 -0.126 0.000 1.116 186 M CB -0.612 31.989 32.600 0.001 0.000 1.348 186 M HN 0.274 nan 8.290 nan 0.000 0.407 187 V N -0.329 119.601 119.914 0.025 0.000 2.343 187 V HA -0.269 3.851 4.120 0.001 0.000 0.247 187 V C 2.540 178.643 176.094 0.015 0.000 1.051 187 V CA 2.186 64.523 62.300 0.060 0.000 1.036 187 V CB -0.804 31.067 31.823 0.080 0.000 0.654 187 V HN 0.543 nan 8.190 nan 0.000 0.451 188 S N -0.326 115.374 115.700 -0.001 0.000 2.359 188 S HA -0.191 4.280 4.470 0.001 0.000 0.224 188 S C 2.003 176.557 174.600 -0.076 0.000 1.035 188 S CA 2.108 60.291 58.200 -0.028 0.000 1.018 188 S CB -0.271 62.918 63.200 -0.019 0.000 0.876 188 S HN 0.317 nan 8.310 nan 0.000 0.448 189 V N 0.970 120.798 119.914 -0.143 0.000 2.295 189 V HA -0.107 4.014 4.120 0.001 0.000 0.246 189 V C 2.218 178.195 176.094 -0.195 0.000 1.049 189 V CA 2.031 64.197 62.300 -0.223 0.000 1.024 189 V CB -0.944 30.648 31.823 -0.384 0.000 0.648 189 V HN 0.502 nan 8.190 nan 0.000 0.447 190 F N 1.086 120.991 119.950 -0.075 0.000 2.234 190 F HA -0.107 4.421 4.527 0.001 0.000 0.299 190 F C 2.614 178.321 175.800 -0.154 0.000 1.087 190 F CA 1.645 59.594 58.000 -0.086 0.000 1.340 190 F CB -1.126 37.826 39.000 -0.080 0.000 1.031 190 F HN 0.344 nan 8.300 nan 0.000 0.500 191 T N -4.060 110.441 114.554 -0.089 0.000 3.037 191 T HA 0.362 4.713 4.350 0.001 0.000 0.251 191 T C 1.755 176.341 174.700 -0.190 0.000 1.079 191 T CA 0.551 62.373 62.100 -0.463 0.000 1.067 191 T CB -0.007 68.407 68.868 -0.756 0.000 0.948 191 T HN 0.398 nan 8.240 nan 0.000 0.496 192 G N 1.097 109.851 108.800 -0.076 0.000 2.147 192 G HA2 -0.230 3.730 3.960 0.001 0.000 0.244 192 G HA3 -0.230 3.730 3.960 0.001 0.000 0.244 192 G C 0.064 174.956 174.900 -0.015 0.000 1.005 192 G CA 0.160 45.246 45.100 -0.023 0.000 0.713 192 G HN 0.743 nan 8.290 nan 0.000 0.515 193 S N -0.400 115.281 115.700 -0.032 0.000 2.616 193 S HA 0.507 4.978 4.470 0.001 0.000 0.277 193 S C 0.082 174.681 174.600 -0.001 0.000 1.234 193 S CA -0.314 57.884 58.200 -0.003 0.000 1.028 193 S CB 1.732 64.934 63.200 0.004 0.000 0.988 193 S HN 0.481 nan 8.310 nan 0.000 0.522 194 D N 0.792 121.197 120.400 0.008 0.000 2.372 194 D HA 0.393 5.034 4.640 0.001 0.000 0.243 194 D C 1.081 177.385 176.300 0.007 0.000 1.121 194 D CA 0.108 54.110 54.000 0.003 0.000 0.898 194 D CB 0.793 41.596 40.800 0.005 0.000 1.202 194 D HN 0.456 nan 8.370 nan 0.000 0.428 195 A N 3.510 126.331 122.820 0.001 0.000 1.948 195 A HA -0.218 4.103 4.320 0.001 0.000 0.220 195 A C 2.214 179.801 177.584 0.005 0.000 1.177 195 A CA 2.664 54.704 52.037 0.005 0.000 0.636 195 A CB -1.313 17.685 19.000 -0.004 0.000 0.815 195 A HN 0.684 nan 8.150 nan 0.000 0.449 196 K N -1.261 119.139 120.400 -0.000 0.000 2.147 196 K HA -0.028 4.293 4.320 0.001 0.000 0.205 196 K C 1.984 178.584 176.600 -0.001 0.000 1.049 196 K CA 2.219 58.504 56.287 -0.004 0.000 0.936 196 K CB -1.577 30.920 32.500 -0.005 0.000 0.722 196 K HN 0.878 nan 8.250 nan 0.000 0.446 197 E N 0.236 120.442 120.200 0.010 0.000 2.427 197 E HA 0.149 4.500 4.350 0.001 0.000 0.196 197 E C 1.819 178.434 176.600 0.025 0.000 1.028 197 E CA 1.372 57.783 56.400 0.018 0.000 0.864 197 E CB -0.343 29.374 29.700 0.029 0.000 0.813 197 E HN 1.001 nan 8.360 nan 0.000 0.514 198 V N -3.628 116.304 119.914 0.031 0.000 3.346 198 V HA 0.459 4.580 4.120 0.001 0.000 0.309 198 V C 0.527 176.626 176.094 0.008 0.000 1.457 198 V CA -0.296 62.038 62.300 0.058 0.000 1.069 198 V CB 0.515 32.425 31.823 0.145 0.000 0.944 198 V HN 0.118 nan 8.190 nan 0.000 0.449 199 V N 2.459 122.358 119.914 -0.024 0.000 2.383 199 V HA 0.827 4.948 4.120 0.001 0.000 0.275 199 V C 1.046 177.075 176.094 -0.108 0.000 1.036 199 V CA 0.672 62.941 62.300 -0.052 0.000 0.889 199 V CB 0.682 32.490 31.823 -0.026 0.000 0.985 199 V HN 0.545 nan 8.190 nan 0.000 0.459 200 G N 3.444 112.137 108.800 -0.179 0.000 2.887 200 G HA2 0.532 4.492 3.960 0.001 0.000 0.277 200 G HA3 0.532 4.492 3.960 0.001 0.000 0.277 200 G C 0.641 175.472 174.900 -0.116 0.000 1.346 200 G CA -0.571 44.425 45.100 -0.174 0.000 1.058 200 G HN 0.832 nan 8.290 nan 0.000 0.535 201 I N -1.536 118.977 120.570 -0.096 0.000 3.564 201 I HA 0.319 4.490 4.170 0.001 0.000 0.294 201 I C 1.418 177.504 176.117 -0.052 0.000 1.289 201 I CA 0.461 61.723 61.300 -0.062 0.000 1.325 201 I CB -0.722 37.252 38.000 -0.044 0.000 1.039 201 I HN 0.828 nan 8.210 nan 0.000 0.474 202 G N 2.191 110.950 108.800 -0.069 0.000 2.652 202 G HA2 -0.409 3.551 3.960 0.001 0.000 0.318 202 G HA3 -0.409 3.551 3.960 0.001 0.000 0.318 202 G C 0.470 175.363 174.900 -0.011 0.000 1.295 202 G CA 0.603 45.681 45.100 -0.035 0.000 0.999 202 G HN 1.056 nan 8.290 nan 0.000 0.548 203 A N 0.500 123.324 122.820 0.007 0.000 3.004 203 A HA 0.528 4.849 4.320 0.001 0.000 0.286 203 A C 1.025 178.617 177.584 0.012 0.000 1.632 203 A CA 0.918 52.966 52.037 0.018 0.000 1.339 203 A CB -0.904 18.117 19.000 0.035 0.000 1.136 203 A HN 1.502 nan 8.150 nan 0.000 0.577 204 N N -0.718 117.984 118.700 0.003 0.000 2.740 204 N HA -0.156 4.585 4.740 0.001 0.000 0.248 204 N C -0.340 175.166 175.510 -0.007 0.000 1.062 204 N CA 0.749 53.799 53.050 -0.001 0.000 0.704 204 N CB -1.395 37.096 38.487 0.007 0.000 0.968 204 N HN 0.638 nan 8.380 nan 0.000 0.547 205 L N 1.081 122.294 121.223 -0.016 0.000 2.455 205 L HA 0.294 4.634 4.340 0.001 0.000 0.272 205 L C -1.684 175.170 176.870 -0.026 0.000 1.174 205 L CA -0.818 54.007 54.840 -0.025 0.000 0.869 205 L CB 0.167 42.204 42.059 -0.037 0.000 1.130 205 L HN -0.033 nan 8.230 nan 0.000 0.474 206 P HA 0.072 nan 4.420 nan 0.000 0.266 206 P C -2.064 175.219 177.300 -0.027 0.000 1.195 206 P CA -0.813 62.273 63.100 -0.023 0.000 0.768 206 P CB 0.090 31.776 31.700 -0.023 0.000 0.838 207 P HA -0.179 nan 4.420 nan 0.000 0.219 207 P C 1.098 178.383 177.300 -0.025 0.000 1.146 207 P CA 1.482 64.567 63.100 -0.024 0.000 0.808 207 P CB -0.137 31.551 31.700 -0.020 0.000 0.779 208 S N -0.900 114.786 115.700 -0.024 0.000 2.481 208 S HA -0.049 4.421 4.470 0.001 0.000 0.231 208 S C 2.110 176.691 174.600 -0.031 0.000 0.996 208 S CA 0.913 59.098 58.200 -0.025 0.000 0.942 208 S CB -1.127 62.059 63.200 -0.022 0.000 0.768 208 S HN 0.186 nan 8.310 nan 0.000 0.520 209 R N 0.791 121.269 120.500 -0.036 0.000 2.334 209 R HA 0.513 4.854 4.340 0.001 0.000 0.216 209 R C 1.702 177.974 176.300 -0.047 0.000 0.905 209 R CA 0.432 56.504 56.100 -0.046 0.000 1.064 209 R CB -1.075 29.192 30.300 -0.055 0.000 1.046 209 R HN 0.507 nan 8.270 nan 0.000 0.508 210 I N 1.603 122.148 120.570 -0.040 0.000 2.252 210 I HA -0.189 3.982 4.170 0.001 0.000 0.245 210 I C 1.193 177.288 176.117 -0.037 0.000 1.102 210 I CA 1.488 62.764 61.300 -0.040 0.000 1.385 210 I CB -0.739 37.239 38.000 -0.036 0.000 1.064 210 I HN 0.260 nan 8.210 nan 0.000 0.414 211 D N 0.803 121.183 120.400 -0.033 0.000 2.133 211 D HA -0.234 4.406 4.640 0.001 0.000 0.195 211 D C 1.929 178.209 176.300 -0.033 0.000 0.997 211 D CA 1.463 55.445 54.000 -0.030 0.000 0.840 211 D CB -0.447 40.337 40.800 -0.026 0.000 0.947 211 D HN 0.331 nan 8.370 nan 0.000 0.452 212 N N 0.758 119.434 118.700 -0.040 0.000 2.120 212 N HA -0.172 4.569 4.740 0.001 0.000 0.188 212 N C 1.537 177.018 175.510 -0.047 0.000 1.024 212 N CA 1.318 54.340 53.050 -0.046 0.000 0.852 212 N CB 0.018 38.470 38.487 -0.057 0.000 1.003 212 N HN 0.051 nan 8.380 nan 0.000 0.424 213 K N -0.247 120.124 120.400 -0.049 0.000 2.057 213 K HA -0.068 4.253 4.320 0.001 0.000 0.207 213 K C 1.703 178.283 176.600 -0.035 0.000 1.049 213 K CA 1.199 57.457 56.287 -0.047 0.000 0.931 213 K CB -0.111 32.360 32.500 -0.049 0.000 0.714 213 K HN 0.039 nan 8.250 nan 0.000 0.440 214 V N 1.599 121.495 119.914 -0.031 0.000 2.295 214 V HA -0.259 3.861 4.120 0.001 0.000 0.246 214 V C 2.022 178.103 176.094 -0.023 0.000 1.049 214 V CA 2.310 64.596 62.300 -0.023 0.000 1.024 214 V CB -0.599 31.212 31.823 -0.021 0.000 0.648 214 V HN 0.500 nan 8.190 nan 0.000 0.447 215 D N -0.070 120.314 120.400 -0.026 0.000 2.117 215 D HA -0.154 4.486 4.640 0.001 0.000 0.197 215 D C 2.018 178.303 176.300 -0.026 0.000 0.987 215 D CA 1.469 55.454 54.000 -0.025 0.000 0.829 215 D CB -0.111 40.673 40.800 -0.027 0.000 0.961 215 D HN 0.204 nan 8.370 nan 0.000 0.460 216 V N -0.153 119.742 119.914 -0.030 0.000 2.287 216 V HA -0.233 3.888 4.120 0.001 0.000 0.248 216 V C 2.644 178.723 176.094 -0.025 0.000 1.053 216 V CA 1.434 63.716 62.300 -0.030 0.000 1.027 216 V CB -0.444 31.356 31.823 -0.038 0.000 0.646 216 V HN 0.166 nan 8.190 nan 0.000 0.447 217 V N -0.119 119.781 119.914 -0.023 0.000 2.287 217 V HA -0.276 3.845 4.120 0.001 0.000 0.248 217 V C 2.611 178.691 176.094 -0.023 0.000 1.053 217 V CA 2.106 64.394 62.300 -0.020 0.000 1.027 217 V CB -0.817 31.000 31.823 -0.010 0.000 0.646 217 V HN 0.478 nan 8.190 nan 0.000 0.447 218 R N -0.311 120.176 120.500 -0.022 0.000 2.081 218 R HA -0.148 4.193 4.340 0.001 0.000 0.235 218 R C 2.540 178.825 176.300 -0.024 0.000 1.131 218 R CA 1.552 57.639 56.100 -0.022 0.000 0.960 218 R CB -0.391 29.898 30.300 -0.019 0.000 0.856 218 R HN 0.441 nan 8.270 nan 0.000 0.436 219 R N 0.371 120.857 120.500 -0.023 0.000 2.081 219 R HA -0.103 4.238 4.340 0.001 0.000 0.235 219 R C 2.368 178.654 176.300 -0.024 0.000 1.131 219 R CA 1.547 57.633 56.100 -0.022 0.000 0.960 219 R CB -0.388 29.900 30.300 -0.021 0.000 0.856 219 R HN 0.225 nan 8.270 nan 0.000 0.436 220 A N 0.924 123.729 122.820 -0.025 0.000 1.883 220 A HA -0.180 4.140 4.320 0.001 0.000 0.217 220 A C 2.130 179.692 177.584 -0.036 0.000 1.186 220 A CA 1.443 53.463 52.037 -0.028 0.000 0.624 220 A CB -0.561 18.422 19.000 -0.029 0.000 0.822 220 A HN 0.230 nan 8.150 nan 0.000 0.444 221 I N -0.445 120.101 120.570 -0.040 0.000 2.202 221 I HA -0.254 3.917 4.170 0.001 0.000 0.242 221 I C 3.007 179.100 176.117 -0.040 0.000 1.091 221 I CA 1.062 62.333 61.300 -0.049 0.000 1.368 221 I CB -0.470 37.499 38.000 -0.052 0.000 1.058 221 I HN 0.357 nan 8.210 nan 0.000 0.410 222 A N 1.070 123.871 122.820 -0.032 0.000 1.908 222 A HA -0.173 4.147 4.320 0.001 0.000 0.218 222 A C 2.302 179.872 177.584 -0.023 0.000 1.181 222 A CA 1.587 53.608 52.037 -0.026 0.000 0.627 222 A CB -0.799 18.188 19.000 -0.021 0.000 0.818 222 A HN 0.399 nan 8.150 nan 0.000 0.445 223 I N -0.355 120.202 120.570 -0.023 0.000 2.353 223 I HA -0.177 3.994 4.170 0.001 0.000 0.248 223 I C 1.896 178.000 176.117 -0.021 0.000 1.119 223 I CA 0.987 62.276 61.300 -0.020 0.000 1.417 223 I CB -0.312 37.677 38.000 -0.017 0.000 1.078 223 I HN 0.351 nan 8.210 nan 0.000 0.421 224 N N 0.215 118.899 118.700 -0.027 0.000 2.395 224 N HA -0.060 4.681 4.740 0.001 0.000 0.175 224 N C 0.001 175.491 175.510 -0.033 0.000 1.029 224 N CA 0.327 53.359 53.050 -0.030 0.000 0.897 224 N CB 0.169 38.634 38.487 -0.036 0.000 0.991 224 N HN 0.204 nan 8.380 nan 0.000 0.441 225 Q N 0.366 120.144 119.800 -0.038 0.000 2.443 225 Q HA -0.128 4.212 4.340 0.001 0.000 0.337 225 Q C -2.354 173.618 176.000 -0.047 0.000 1.401 225 Q CA 0.467 56.246 55.803 -0.039 0.000 0.943 225 Q CB -1.625 27.097 28.738 -0.027 0.000 1.177 225 Q HN 0.441 nan 8.270 nan 0.000 0.394 226 P HA 0.047 nan 4.420 nan 0.000 0.271 226 P C 0.061 177.310 177.300 -0.085 0.000 1.216 226 P CA -0.184 62.865 63.100 -0.085 0.000 0.776 226 P CB 0.637 32.258 31.700 -0.131 0.000 0.881 227 N N 3.966 122.630 118.700 -0.060 0.000 2.406 227 N HA 0.141 4.882 4.740 0.001 0.000 0.251 227 N C -1.722 173.765 175.510 -0.038 0.000 1.069 227 N CA -2.395 50.634 53.050 -0.036 0.000 0.947 227 N CB 0.316 38.799 38.487 -0.007 0.000 1.111 227 N HN 0.143 nan 8.380 nan 0.000 0.497 228 P HA -0.116 nan 4.420 nan 0.000 0.221 228 P C 0.909 178.297 177.300 0.147 0.000 1.145 228 P CA 1.419 64.518 63.100 -0.002 0.000 0.795 228 P CB 0.268 31.974 31.700 0.008 0.000 0.775 229 R N -0.395 120.161 120.500 0.093 0.000 2.310 229 R HA 0.059 4.400 4.340 0.001 0.000 0.202 229 R C 0.635 176.995 176.300 0.101 0.000 0.933 229 R CA 0.775 56.934 56.100 0.099 0.000 1.054 229 R CB -1.080 29.255 30.300 0.058 0.000 0.985 229 R HN 0.107 nan 8.270 nan 0.000 0.489 230 D N -1.009 119.456 120.400 0.108 0.000 2.446 230 D HA 0.311 4.952 4.640 0.001 0.000 0.251 230 D C 1.225 177.616 176.300 0.151 0.000 1.137 230 D CA -0.059 53.998 54.000 0.096 0.000 0.890 230 D CB 1.030 41.861 40.800 0.052 0.000 1.071 230 D HN 0.059 nan 8.370 nan 0.000 0.528 231 G N 2.982 111.901 108.800 0.198 0.000 2.442 231 G HA2 -0.211 3.749 3.960 0.001 0.000 0.219 231 G HA3 -0.211 3.749 3.960 0.001 0.000 0.219 231 G C 1.577 176.590 174.900 0.188 0.000 1.141 231 G CA 0.468 45.742 45.100 0.289 0.000 0.763 231 G HN 0.601 nan 8.290 nan 0.000 0.554 232 I N 0.517 121.150 120.570 0.105 0.000 2.394 232 I HA -0.095 4.075 4.170 0.001 0.000 0.251 232 I C 2.354 178.505 176.117 0.057 0.000 1.136 232 I CA 1.273 62.617 61.300 0.072 0.000 1.425 232 I CB -0.150 37.879 38.000 0.048 0.000 1.079 232 I HN 0.124 nan 8.210 nan 0.000 0.425 233 D N 0.636 121.065 120.400 0.048 0.000 2.117 233 D HA -0.146 4.495 4.640 0.001 0.000 0.197 233 D C 2.174 178.470 176.300 -0.007 0.000 0.987 233 D CA 1.171 55.181 54.000 0.018 0.000 0.829 233 D CB 0.181 40.986 40.800 0.009 0.000 0.961 233 D HN 0.051 nan 8.370 nan 0.000 0.460 234 V N 0.464 120.367 119.914 -0.018 0.000 2.295 234 V HA -0.214 3.906 4.120 0.001 0.000 0.246 234 V C 2.666 178.734 176.094 -0.043 0.000 1.049 234 V CA 1.269 63.504 62.300 -0.109 0.000 1.024 234 V CB -0.598 31.031 31.823 -0.323 0.000 0.648 234 V HN 0.296 nan 8.190 nan 0.000 0.447 235 L N 0.952 122.201 121.223 0.043 0.000 2.012 235 L HA -0.197 4.144 4.340 0.001 0.000 0.210 235 L C 2.770 179.654 176.870 0.023 0.000 1.073 235 L CA 2.095 56.967 54.840 0.053 0.000 0.748 235 L CB -0.668 41.442 42.059 0.086 0.000 0.891 235 L HN 0.581 nan 8.230 nan 0.000 0.431 236 S N -0.942 114.772 115.700 0.024 0.000 2.402 236 S HA -0.160 4.311 4.470 0.001 0.000 0.229 236 S C 1.916 176.510 174.600 -0.009 0.000 1.021 236 S CA 0.786 58.998 58.200 0.019 0.000 0.974 236 S CB -0.132 63.086 63.200 0.031 0.000 0.800 236 S HN 0.365 nan 8.310 nan 0.000 0.484 237 K N 0.638 121.026 120.400 -0.021 0.000 2.067 237 K HA 0.129 4.449 4.320 0.001 0.000 0.203 237 K C 1.582 178.156 176.600 -0.044 0.000 1.048 237 K CA 1.352 57.619 56.287 -0.034 0.000 0.954 237 K CB 0.079 32.554 32.500 -0.041 0.000 0.737 237 K HN 0.458 nan 8.250 nan 0.000 0.444 238 V N -2.948 116.934 119.914 -0.053 0.000 3.159 238 V HA 0.392 4.513 4.120 0.001 0.000 0.333 238 V C 0.488 176.562 176.094 -0.034 0.000 1.424 238 V CA -0.320 61.950 62.300 -0.050 0.000 1.125 238 V CB 0.325 32.105 31.823 -0.072 0.000 1.075 238 V HN 0.181 nan 8.190 nan 0.000 0.482 239 G N 0.286 109.072 108.800 -0.024 0.000 2.882 239 G HA2 0.773 4.734 3.960 0.001 0.000 0.164 239 G HA3 0.773 4.734 3.960 0.001 0.000 0.164 239 G C 0.053 174.957 174.900 0.007 0.000 1.429 239 G CA -0.305 44.799 45.100 0.006 0.000 1.059 239 G HN 1.132 nan 8.290 nan 0.000 0.581 240 G N -2.606 106.197 108.800 0.005 0.000 2.623 240 G HA2 0.442 4.402 3.960 0.001 0.000 0.290 240 G HA3 0.442 4.402 3.960 0.001 0.000 0.290 240 G C 0.089 174.936 174.900 -0.089 0.000 1.437 240 G CA -0.632 44.397 45.100 -0.117 0.000 0.798 240 G HN 0.300 nan 8.290 nan 0.000 0.488 241 F N 0.357 120.254 119.950 -0.088 0.000 2.126 241 F HA -0.110 4.417 4.527 0.001 0.000 0.299 241 F C 2.770 178.549 175.800 -0.034 0.000 1.096 241 F CA 1.487 59.446 58.000 -0.068 0.000 1.255 241 F CB 0.139 39.078 39.000 -0.102 0.000 0.997 241 F HN 0.546 nan 8.300 nan 0.000 0.479 242 D N 1.007 121.495 120.400 0.148 0.000 2.097 242 D HA -0.202 4.439 4.640 0.001 0.000 0.195 242 D C 2.006 178.368 176.300 0.104 0.000 0.989 242 D CA 1.397 55.471 54.000 0.122 0.000 0.827 242 D CB -1.113 39.776 40.800 0.148 0.000 0.966 242 D HN 0.290 nan 8.370 nan 0.000 0.456 243 L N 0.202 121.492 121.223 0.112 0.000 2.046 243 L HA -0.131 4.210 4.340 0.001 0.000 0.208 243 L C 2.768 179.678 176.870 0.067 0.000 1.077 243 L CA 0.742 55.628 54.840 0.076 0.000 0.747 243 L CB -0.411 41.692 42.059 0.073 0.000 0.896 243 L HN -0.007 nan 8.230 nan 0.000 0.432 244 V N 0.355 120.320 119.914 0.085 0.000 2.295 244 V HA -0.226 3.895 4.120 0.001 0.000 0.246 244 V C 2.660 178.786 176.094 0.054 0.000 1.049 244 V CA 2.080 64.427 62.300 0.078 0.000 1.024 244 V CB -1.243 30.650 31.823 0.116 0.000 0.648 244 V HN 0.577 nan 8.190 nan 0.000 0.447 245 G N -0.819 108.016 108.800 0.057 0.000 2.440 245 G HA2 -0.297 3.664 3.960 0.001 0.000 0.218 245 G HA3 -0.297 3.664 3.960 0.001 0.000 0.218 245 G C 1.623 176.532 174.900 0.015 0.000 1.154 245 G CA 1.210 46.326 45.100 0.026 0.000 0.767 245 G HN 0.431 nan 8.290 nan 0.000 0.552 246 M N 0.379 119.995 119.600 0.026 0.000 2.117 246 M HA -0.073 4.408 4.480 0.001 0.000 0.262 246 M C 2.796 179.098 176.300 0.002 0.000 1.065 246 M CA 1.717 57.027 55.300 0.018 0.000 1.114 246 M CB -0.572 32.042 32.600 0.023 0.000 1.361 246 M HN 0.153 nan 8.290 nan 0.000 0.408 247 T N 0.197 114.755 114.554 0.006 0.000 2.746 247 T HA -0.110 4.240 4.350 0.001 0.000 0.267 247 T C 1.789 176.476 174.700 -0.021 0.000 1.039 247 T CA 1.580 63.677 62.100 -0.005 0.000 1.142 247 T CB -0.762 68.112 68.868 0.010 0.000 0.866 247 T HN 0.647 nan 8.240 nan 0.000 0.444 248 G N 0.900 109.689 108.800 -0.018 0.000 2.422 248 G HA2 -0.148 3.812 3.960 0.001 0.000 0.218 248 G HA3 -0.148 3.812 3.960 0.001 0.000 0.218 248 G C 1.680 176.537 174.900 -0.071 0.000 1.146 248 G CA 0.711 45.789 45.100 -0.036 0.000 0.769 248 G HN 0.442 nan 8.290 nan 0.000 0.547 249 V N 0.981 120.851 119.914 -0.072 0.000 2.358 249 V HA -0.195 3.926 4.120 0.001 0.000 0.246 249 V C 2.880 178.870 176.094 -0.172 0.000 1.047 249 V CA 2.032 64.250 62.300 -0.138 0.000 1.035 249 V CB -0.391 31.380 31.823 -0.087 0.000 0.658 249 V HN 0.377 nan 8.190 nan 0.000 0.452 250 M N -0.718 118.826 119.600 -0.094 0.000 2.117 250 M HA -0.156 4.325 4.480 0.001 0.000 0.262 250 M C 2.156 178.397 176.300 -0.099 0.000 1.065 250 M CA 1.951 57.208 55.300 -0.072 0.000 1.114 250 M CB -0.466 32.118 32.600 -0.027 0.000 1.361 250 M HN 0.254 nan 8.290 nan 0.000 0.408 251 L N -0.718 120.450 121.223 -0.092 0.000 2.056 251 L HA -0.086 4.255 4.340 0.001 0.000 0.207 251 L C 2.712 179.494 176.870 -0.146 0.000 1.078 251 L CA 1.245 56.027 54.840 -0.097 0.000 0.749 251 L CB -1.339 40.680 42.059 -0.067 0.000 0.901 251 L HN 0.409 nan 8.230 nan 0.000 0.433 252 G N -0.160 108.539 108.800 -0.169 0.000 2.421 252 G HA2 -0.253 3.707 3.960 0.001 0.000 0.216 252 G HA3 -0.253 3.707 3.960 0.001 0.000 0.216 252 G C 1.791 176.519 174.900 -0.288 0.000 1.171 252 G CA 0.851 45.825 45.100 -0.211 0.000 0.775 252 G HN 0.450 nan 8.290 nan 0.000 0.543 253 A N 1.161 123.758 122.820 -0.372 0.000 1.902 253 A HA 0.242 4.562 4.320 0.001 0.000 0.217 253 A C 2.825 180.205 177.584 -0.340 0.000 1.181 253 A CA 2.357 54.174 52.037 -0.367 0.000 0.623 253 A CB -0.826 17.981 19.000 -0.321 0.000 0.818 253 A HN 0.828 nan 8.150 nan 0.000 0.443 254 A N -0.148 122.441 122.820 -0.385 0.000 1.902 254 A HA -0.162 4.159 4.320 0.001 0.000 0.217 254 A C 2.175 179.389 177.584 -0.617 0.000 1.181 254 A CA 2.165 53.769 52.037 -0.721 0.000 0.623 254 A CB -0.438 18.358 19.000 -0.340 0.000 0.818 254 A HN 0.476 nan 8.150 nan 0.000 0.443 255 R N -0.411 119.894 120.500 -0.324 0.000 2.120 255 R HA -0.080 4.261 4.340 0.001 0.000 0.234 255 R C 1.746 177.929 176.300 -0.194 0.000 1.123 255 R CA 1.997 57.970 56.100 -0.211 0.000 0.975 255 R CB -1.514 28.701 30.300 -0.141 0.000 0.866 255 R HN 0.447 nan 8.270 nan 0.000 0.446 256 c N 0.035 118.510 118.600 -0.209 0.000 2.522 256 c HA 0.325 4.896 4.570 0.001 0.000 0.271 256 c C 1.262 175.278 174.090 -0.123 0.000 1.425 256 c CA 0.753 57.005 56.329 -0.128 0.000 1.751 256 c CB -1.422 41.037 42.510 -0.084 0.000 1.775 256 c HN 0.784 nan 8.230 nan 0.000 0.557 257 G N 0.911 109.541 108.800 -0.283 0.000 2.221 257 G HA2 -0.237 3.724 3.960 0.001 0.000 0.265 257 G HA3 -0.237 3.724 3.960 0.001 0.000 0.265 257 G C -0.195 174.709 174.900 0.007 0.000 1.041 257 G CA 0.366 45.340 45.100 -0.211 0.000 0.807 257 G HN 0.536 nan 8.290 nan 0.000 0.502 258 L N 0.393 121.589 121.223 -0.046 0.000 2.319 258 L HA 0.647 4.987 4.340 0.001 0.000 0.267 258 L C -1.849 175.182 176.870 0.269 0.000 1.011 258 L CA -2.708 52.235 54.840 0.172 0.000 0.818 258 L CB 2.427 44.638 42.059 0.252 0.000 1.316 258 L HN -0.080 nan 8.230 nan 0.000 0.432 259 P HA 0.204 nan 4.420 nan 0.000 0.278 259 P C -1.278 176.190 177.300 0.280 0.000 1.238 259 P CA -0.264 62.993 63.100 0.261 0.000 0.794 259 P CB 1.724 33.527 31.700 0.171 0.000 0.955 260 V N 3.476 123.530 119.914 0.233 0.000 2.577 260 V HA 0.308 4.428 4.120 0.001 0.000 0.303 260 V C 0.311 176.511 176.094 0.176 0.000 1.042 260 V CA -0.742 61.689 62.300 0.219 0.000 0.872 260 V CB 1.796 33.708 31.823 0.150 0.000 0.998 260 V HN 0.409 nan 8.190 nan 0.000 0.423 261 L N 4.945 126.273 121.223 0.175 0.000 2.276 261 L HA 0.409 4.749 4.340 0.001 0.000 0.286 261 L C -0.266 176.697 176.870 0.155 0.000 1.061 261 L CA -0.453 54.486 54.840 0.163 0.000 0.807 261 L CB 1.260 43.413 42.059 0.157 0.000 1.177 261 L HN 0.437 nan 8.230 nan 0.000 0.429 262 L N 3.060 124.376 121.223 0.155 0.000 2.475 262 L HA 0.153 4.494 4.340 0.001 0.000 0.253 262 L C 0.482 177.461 176.870 0.182 0.000 1.198 262 L CA 0.737 55.669 54.840 0.153 0.000 0.814 262 L CB 0.603 42.767 42.059 0.174 0.000 1.134 262 L HN 0.621 nan 8.230 nan 0.000 0.478 263 D N -0.912 119.578 120.400 0.150 0.000 3.180 263 D HA 0.371 5.011 4.640 0.001 0.000 0.226 263 D C 0.331 176.716 176.300 0.141 0.000 1.252 263 D CA 0.553 54.670 54.000 0.196 0.000 1.287 263 D CB 0.236 41.112 40.800 0.126 0.000 0.919 263 D HN 0.492 nan 8.370 nan 0.000 0.186 264 G N -1.094 107.678 108.800 -0.047 0.000 3.039 264 G HA2 0.207 4.167 3.960 0.001 0.000 0.159 264 G HA3 0.207 4.167 3.960 0.001 0.000 0.159 264 G C 0.508 174.752 174.900 -1.093 0.000 1.284 264 G CA -0.230 44.592 45.100 -0.463 0.000 0.996 264 G HN 0.357 nan 8.290 nan 0.000 0.592 265 F N 0.021 119.436 119.950 -0.893 0.000 2.087 265 F HA -0.162 4.365 4.527 0.001 0.000 0.299 265 F C 2.497 178.065 175.800 -0.385 0.000 1.100 265 F CA 1.323 58.914 58.000 -0.681 0.000 1.226 265 F CB 0.142 38.999 39.000 -0.238 0.000 0.983 265 F HN 0.004 nan 8.300 nan 0.000 0.479 266 L N 0.171 121.236 121.223 -0.263 0.000 2.046 266 L HA -0.217 4.124 4.340 0.001 0.000 0.208 266 L C 2.830 179.563 176.870 -0.228 0.000 1.077 266 L CA 2.120 56.828 54.840 -0.220 0.000 0.747 266 L CB -2.242 39.782 42.059 -0.059 0.000 0.896 266 L HN 0.385 nan 8.230 nan 0.000 0.432 267 S N -1.091 114.476 115.700 -0.221 0.000 2.402 267 S HA -0.200 4.270 4.470 0.001 0.000 0.229 267 S C 2.131 176.701 174.600 -0.049 0.000 1.021 267 S CA 0.765 58.900 58.200 -0.109 0.000 0.974 267 S CB -0.783 62.386 63.200 -0.051 0.000 0.800 267 S HN 0.507 nan 8.310 nan 0.000 0.484 268 Y N 2.602 122.800 120.300 -0.171 0.000 2.224 268 Y HA -0.147 4.404 4.550 0.001 0.000 0.289 268 Y C 3.345 179.110 175.900 -0.225 0.000 1.146 268 Y CA 0.748 58.727 58.100 -0.201 0.000 1.182 268 Y CB -0.454 37.864 38.460 -0.236 0.000 0.983 268 Y HN 0.565 nan 8.280 nan 0.000 0.524 269 S N 0.461 116.053 115.700 -0.179 0.000 2.383 269 S HA -0.180 4.290 4.470 0.001 0.000 0.227 269 S C 2.135 176.714 174.600 -0.035 0.000 1.026 269 S CA 0.737 58.858 58.200 -0.130 0.000 0.981 269 S CB -0.647 62.417 63.200 -0.228 0.000 0.818 269 S HN 0.363 nan 8.310 nan 0.000 0.472 270 A N 1.878 124.671 122.820 -0.046 0.000 1.969 270 A HA 0.388 4.709 4.320 0.001 0.000 0.218 270 A C 2.490 180.049 177.584 -0.042 0.000 1.169 270 A CA 1.552 53.579 52.037 -0.016 0.000 0.635 270 A CB -1.334 17.661 19.000 -0.008 0.000 0.810 270 A HN 0.871 nan 8.150 nan 0.000 0.445 271 A N -0.305 122.491 122.820 -0.041 0.000 1.929 271 A HA 0.051 4.371 4.320 0.001 0.000 0.216 271 A C 2.125 179.624 177.584 -0.142 0.000 1.176 271 A CA 1.242 53.246 52.037 -0.056 0.000 0.628 271 A CB -0.510 18.484 19.000 -0.010 0.000 0.816 271 A HN 0.455 nan 8.150 nan 0.000 0.444 272 L N -0.725 120.381 121.223 -0.196 0.000 2.017 272 L HA -0.226 4.114 4.340 0.001 0.000 0.208 272 L C 3.125 179.555 176.870 -0.733 0.000 1.073 272 L CA 1.184 55.773 54.840 -0.418 0.000 0.745 272 L CB -0.523 41.305 42.059 -0.384 0.000 0.894 272 L HN 0.449 nan 8.230 nan 0.000 0.432 273 A N -0.142 122.342 122.820 -0.560 0.000 1.877 273 A HA -0.177 4.143 4.320 0.001 0.000 0.216 273 A C 2.519 179.979 177.584 -0.207 0.000 1.186 273 A CA 1.741 53.553 52.037 -0.376 0.000 0.620 273 A CB -0.767 18.263 19.000 0.050 0.000 0.822 273 A HN 0.412 nan 8.150 nan 0.000 0.443 274 A N -0.999 121.738 122.820 -0.138 0.000 1.908 274 A HA -0.198 4.122 4.320 0.001 0.000 0.218 274 A C 2.268 179.797 177.584 -0.093 0.000 1.181 274 A CA 1.773 53.760 52.037 -0.083 0.000 0.627 274 A CB -1.285 17.683 19.000 -0.054 0.000 0.818 274 A HN 0.615 nan 8.150 nan 0.000 0.445 275 C N -1.296 117.925 119.300 -0.131 0.000 2.448 275 C HA -0.008 4.453 4.460 0.001 0.000 0.280 275 C C 2.767 177.686 174.990 -0.118 0.000 1.398 275 C CA 1.244 60.197 59.018 -0.108 0.000 1.774 275 C CB -0.910 26.762 27.740 -0.115 0.000 1.888 275 C HN 0.766 nan 8.230 nan 0.000 0.519 276 Q N 1.188 120.875 119.800 -0.188 0.000 2.083 276 Q HA 0.025 4.365 4.340 0.001 0.000 0.198 276 Q C 1.893 177.864 176.000 -0.048 0.000 0.969 276 Q CA 1.650 57.373 55.803 -0.133 0.000 0.838 276 Q CB -0.373 28.241 28.738 -0.206 0.000 0.900 276 Q HN 0.643 nan 8.270 nan 0.000 0.436 277 I N -0.104 120.440 120.570 -0.044 0.000 2.226 277 I HA -0.093 4.077 4.170 0.001 0.000 0.245 277 I C 0.367 176.478 176.117 -0.011 0.000 1.100 277 I CA 0.931 62.225 61.300 -0.010 0.000 1.374 277 I CB -0.037 37.960 38.000 -0.006 0.000 1.057 277 I HN 0.189 nan 8.210 nan 0.000 0.413 278 A N -0.175 122.632 122.820 -0.020 0.000 2.611 278 A HA 0.467 4.787 4.320 0.001 0.000 0.282 278 A C -2.175 175.405 177.584 -0.007 0.000 1.114 278 A CA -0.857 51.175 52.037 -0.008 0.000 0.800 278 A CB 0.475 19.472 19.000 -0.005 0.000 1.325 278 A HN -0.115 nan 8.150 nan 0.000 0.411 279 P HA -0.156 nan 4.420 nan 0.000 0.219 279 P C 1.670 178.979 177.300 0.015 0.000 1.146 279 P CA 1.892 64.989 63.100 -0.006 0.000 0.808 279 P CB 0.326 32.021 31.700 -0.007 0.000 0.779 280 A N -0.798 122.042 122.820 0.034 0.000 2.178 280 A HA -0.119 4.202 4.320 0.001 0.000 0.218 280 A C 2.126 179.799 177.584 0.148 0.000 1.157 280 A CA 1.238 53.321 52.037 0.076 0.000 0.689 280 A CB -1.485 17.561 19.000 0.077 0.000 0.787 280 A HN 0.072 nan 8.150 nan 0.000 0.465 281 V N -0.374 119.604 119.914 0.107 0.000 2.548 281 V HA -0.183 3.937 4.120 0.001 0.000 0.249 281 V C 2.521 178.719 176.094 0.174 0.000 1.055 281 V CA 1.913 64.310 62.300 0.160 0.000 1.065 281 V CB -0.758 31.099 31.823 0.056 0.000 0.681 281 V HN 0.638 nan 8.190 nan 0.000 0.462 282 R N 1.470 122.010 120.500 0.067 0.000 2.134 282 R HA -0.186 4.154 4.340 0.001 0.000 0.248 282 R C -0.260 176.029 176.300 -0.018 0.000 1.143 282 R CA 2.386 58.494 56.100 0.014 0.000 0.957 282 R CB -1.875 28.413 30.300 -0.020 0.000 0.867 282 R HN 0.386 nan 8.270 nan 0.000 0.441 283 P HA -0.113 nan 4.420 nan 0.000 0.223 283 P C 0.221 177.306 177.300 -0.357 0.000 1.144 283 P CA 1.232 64.174 63.100 -0.263 0.000 0.783 283 P CB -0.062 31.394 31.700 -0.406 0.000 0.771 284 Y N -2.380 117.926 120.300 0.010 0.000 2.462 284 Y HA 0.144 4.695 4.550 0.001 0.000 0.261 284 Y C 0.894 176.816 175.900 0.038 0.000 1.146 284 Y CA -0.474 57.641 58.100 0.025 0.000 1.283 284 Y CB -0.221 38.251 38.460 0.020 0.000 1.090 284 Y HN -0.150 nan 8.280 nan 0.000 0.526 285 L N 1.243 122.542 121.223 0.126 0.000 2.349 285 L HA 0.272 4.613 4.340 0.001 0.000 0.275 285 L C -0.311 176.607 176.870 0.081 0.000 1.115 285 L CA -0.502 54.395 54.840 0.097 0.000 0.820 285 L CB 0.477 42.569 42.059 0.054 0.000 1.135 285 L HN 0.026 nan 8.230 nan 0.000 0.445 286 I N 5.641 126.277 120.570 0.110 0.000 2.447 286 I HA 0.360 4.530 4.170 0.001 0.000 0.287 286 I C -2.234 173.964 176.117 0.136 0.000 1.023 286 I CA -1.798 59.585 61.300 0.139 0.000 1.083 286 I CB 2.333 40.447 38.000 0.190 0.000 1.245 286 I HN 0.446 nan 8.210 nan 0.000 0.434 287 P HA 0.157 nan 4.420 nan 0.000 0.274 287 P C -0.129 177.267 177.300 0.160 0.000 1.231 287 P CA -0.163 62.949 63.100 0.020 0.000 0.790 287 P CB 1.832 33.422 31.700 -0.184 0.000 0.951 288 S N 1.019 116.850 115.700 0.218 0.000 3.036 288 S HA 0.136 4.606 4.470 0.001 0.000 0.194 288 S C 0.822 175.641 174.600 0.364 0.000 0.797 288 S CA -0.065 58.336 58.200 0.335 0.000 0.822 288 S CB -0.642 62.756 63.200 0.331 0.000 0.810 288 S HN 0.754 nan 8.310 nan 0.000 0.629 289 H N -0.180 119.006 119.070 0.194 0.000 2.812 289 H HA 0.629 5.186 4.556 0.001 0.000 0.355 289 H C -1.910 173.546 175.328 0.213 0.000 1.207 289 H CA -1.401 54.770 56.048 0.205 0.000 1.217 289 H CB 0.835 30.709 29.762 0.186 0.000 1.874 289 H HN 0.366 nan 8.280 nan 0.000 0.581 290 F N 1.937 121.825 119.950 -0.103 0.000 2.303 290 F HA 0.252 4.780 4.527 0.001 0.000 0.368 290 F C 0.674 176.385 175.800 -0.149 0.000 1.105 290 F CA -0.423 57.454 58.000 -0.205 0.000 1.153 290 F CB 0.559 39.294 39.000 -0.442 0.000 1.362 290 F HN 0.619 nan 8.300 nan 0.000 0.511 291 S N 3.683 119.399 115.700 0.027 0.000 2.558 291 S HA 0.226 4.697 4.470 0.001 0.000 0.291 291 S C 1.286 176.032 174.600 0.244 0.000 1.306 291 S CA 0.234 58.491 58.200 0.095 0.000 1.056 291 S CB 0.694 63.906 63.200 0.020 0.000 0.836 291 S HN 0.826 nan 8.310 nan 0.000 0.504 292 A N 3.133 126.049 122.820 0.160 0.000 2.238 292 A HA 0.204 4.524 4.320 0.001 0.000 0.208 292 A C 0.704 178.306 177.584 0.031 0.000 1.177 292 A CA 0.186 52.282 52.037 0.098 0.000 0.804 292 A CB -0.365 18.677 19.000 0.071 0.000 0.823 292 A HN 0.862 nan 8.150 nan 0.000 0.482 293 E N 0.564 120.755 120.200 -0.014 0.000 2.384 293 E HA 0.118 4.469 4.350 0.001 0.000 0.266 293 E C 1.147 177.640 176.600 -0.178 0.000 1.012 293 E CA 0.082 56.364 56.400 -0.196 0.000 0.901 293 E CB 0.643 30.080 29.700 -0.438 0.000 0.967 293 E HN 0.303 nan 8.360 nan 0.000 0.435 294 K N 2.875 123.153 120.400 -0.204 0.000 2.034 294 K HA -0.186 4.134 4.320 0.001 0.000 0.214 294 K C 1.425 177.982 176.600 -0.072 0.000 1.051 294 K CA 1.810 58.029 56.287 -0.113 0.000 0.931 294 K CB -0.465 31.968 32.500 -0.112 0.000 0.715 294 K HN 0.666 nan 8.250 nan 0.000 0.446 295 G N -0.596 108.091 108.800 -0.188 0.000 2.956 295 G HA2 0.021 3.981 3.960 0.001 0.000 0.207 295 G HA3 0.021 3.981 3.960 0.001 0.000 0.207 295 G C 1.226 176.313 174.900 0.312 0.000 1.162 295 G CA 0.542 45.684 45.100 0.071 0.000 0.796 295 G HN 0.429 nan 8.290 nan 0.000 0.527 296 A N 1.151 124.121 122.820 0.250 0.000 1.865 296 A HA 0.015 4.335 4.320 0.001 0.000 0.217 296 A C 2.740 180.369 177.584 0.075 0.000 1.191 296 A CA 2.643 54.892 52.037 0.354 0.000 0.623 296 A CB -0.842 18.362 19.000 0.341 0.000 0.826 296 A HN 0.532 nan 8.150 nan 0.000 0.444 297 R N -0.037 120.572 120.500 0.182 0.000 2.096 297 R HA -0.113 4.227 4.340 0.001 0.000 0.240 297 R C 2.106 178.451 176.300 0.074 0.000 1.139 297 R CA 1.952 58.154 56.100 0.169 0.000 0.952 297 R CB -1.569 28.899 30.300 0.280 0.000 0.854 297 R HN 0.667 nan 8.270 nan 0.000 0.436 298 I N 0.461 121.105 120.570 0.123 0.000 2.179 298 I HA -0.227 3.943 4.170 0.001 0.000 0.242 298 I C 3.124 179.333 176.117 0.153 0.000 1.088 298 I CA 1.349 62.741 61.300 0.153 0.000 1.357 298 I CB -0.468 37.616 38.000 0.140 0.000 1.051 298 I HN 0.505 nan 8.210 nan 0.000 0.409 299 A N 1.026 123.906 122.820 0.101 0.000 1.883 299 A HA -0.182 4.139 4.320 0.001 0.000 0.217 299 A C 2.292 179.802 177.584 -0.122 0.000 1.186 299 A CA 1.519 53.573 52.037 0.029 0.000 0.624 299 A CB -0.947 18.118 19.000 0.109 0.000 0.822 299 A HN 0.384 nan 8.150 nan 0.000 0.444 300 L N -0.821 120.209 121.223 -0.323 0.000 2.083 300 L HA -0.195 4.146 4.340 0.001 0.000 0.209 300 L C 3.072 179.808 176.870 -0.222 0.000 1.083 300 L CA 0.960 55.529 54.840 -0.453 0.000 0.752 300 L CB -0.513 41.129 42.059 -0.695 0.000 0.899 300 L HN 0.455 nan 8.230 nan 0.000 0.433 301 A N -0.936 121.822 122.820 -0.103 0.000 1.902 301 A HA -0.223 4.098 4.320 0.001 0.000 0.217 301 A C 2.110 179.620 177.584 -0.124 0.000 1.181 301 A CA 1.356 53.344 52.037 -0.081 0.000 0.623 301 A CB -0.786 18.198 19.000 -0.026 0.000 0.818 301 A HN 0.445 nan 8.150 nan 0.000 0.443 302 H N -0.953 118.071 119.070 -0.078 0.000 2.495 302 H HA 0.089 4.646 4.556 0.001 0.000 0.287 302 H C 1.428 176.701 175.328 -0.091 0.000 1.033 302 H CA 1.131 57.141 56.048 -0.063 0.000 1.307 302 H CB 0.088 29.830 29.762 -0.034 0.000 1.401 302 H HN 0.384 nan 8.280 nan 0.000 0.555 303 L N 0.017 121.214 121.223 -0.043 0.000 2.592 303 L HA 0.030 4.371 4.340 0.001 0.000 0.227 303 L C 0.615 177.419 176.870 -0.110 0.000 1.127 303 L CA -0.056 54.728 54.840 -0.093 0.000 0.884 303 L CB 0.329 42.301 42.059 -0.145 0.000 1.065 303 L HN -0.029 nan 8.230 nan 0.000 0.457 304 S N 0.920 116.550 115.700 -0.116 0.000 3.631 304 S HA -0.191 4.279 4.470 0.001 0.000 0.366 304 S C 0.062 174.589 174.600 -0.121 0.000 0.993 304 S CA 0.832 58.967 58.200 -0.109 0.000 1.167 304 S CB -1.067 62.081 63.200 -0.087 0.000 0.909 304 S HN 0.369 nan 8.310 nan 0.000 0.478 305 M N 0.811 120.311 119.600 -0.167 0.000 2.465 305 M HA 0.548 5.028 4.480 0.001 0.000 0.316 305 M C -0.042 176.129 176.300 -0.215 0.000 1.121 305 M CA -0.073 55.110 55.300 -0.195 0.000 0.934 305 M CB 2.140 34.597 32.600 -0.239 0.000 1.692 305 M HN 0.292 nan 8.290 nan 0.000 0.444 306 E N 3.183 123.266 120.200 -0.195 0.000 2.207 306 E HA 0.573 4.923 4.350 0.001 0.000 0.250 306 E C -2.969 173.499 176.600 -0.220 0.000 0.890 306 E CA -1.944 54.377 56.400 -0.133 0.000 0.749 306 E CB 0.573 30.243 29.700 -0.051 0.000 1.193 306 E HN 0.366 nan 8.360 nan 0.000 0.423 307 P HA 0.080 nan 4.420 nan 0.000 0.267 307 P C -0.042 177.250 177.300 -0.013 0.000 1.201 307 P CA 0.056 63.076 63.100 -0.132 0.000 0.775 307 P CB 0.466 32.164 31.700 -0.004 0.000 0.854 308 Y N 0.408 120.835 120.300 0.212 0.000 2.365 308 Y HA 0.137 4.688 4.550 0.001 0.000 0.293 308 Y C 1.006 177.064 175.900 0.264 0.000 1.119 308 Y CA 0.662 58.880 58.100 0.197 0.000 1.203 308 Y CB -0.230 38.313 38.460 0.137 0.000 1.026 308 Y HN 0.125 nan 8.280 nan 0.000 0.549 309 L N 0.500 122.005 121.223 0.471 0.000 2.313 309 L HA 0.357 4.698 4.340 0.001 0.000 0.283 309 L C -1.070 176.119 176.870 0.531 0.000 1.013 309 L CA -0.632 54.471 54.840 0.437 0.000 0.816 309 L CB 1.051 43.313 42.059 0.338 0.000 1.236 309 L HN 0.024 nan 8.230 nan 0.000 0.419 310 H N 5.083 124.268 119.070 0.191 0.000 2.643 310 H HA 0.356 4.912 4.556 0.001 0.000 0.259 310 H C 0.109 175.515 175.328 0.129 0.000 1.298 310 H CA -0.515 55.625 56.048 0.154 0.000 1.301 310 H CB 0.938 30.736 29.762 0.060 0.000 1.422 310 H HN 0.449 nan 8.280 nan 0.000 0.521 311 M N 0.734 120.479 119.600 0.243 0.000 2.347 311 M HA 0.305 4.785 4.480 0.001 0.000 0.302 311 M C 1.113 177.497 176.300 0.140 0.000 1.051 311 M CA 0.053 55.453 55.300 0.166 0.000 0.988 311 M CB -0.246 32.434 32.600 0.132 0.000 1.475 311 M HN 0.624 nan 8.290 nan 0.000 0.530 312 A N 1.114 124.024 122.820 0.150 0.000 2.799 312 A HA -0.228 4.092 4.320 0.001 0.000 0.287 312 A C 0.381 178.046 177.584 0.135 0.000 1.484 312 A CA 0.814 52.920 52.037 0.116 0.000 0.813 312 A CB -2.201 16.839 19.000 0.067 0.000 1.009 312 A HN 0.557 nan 8.150 nan 0.000 0.545 313 M N -0.810 118.914 119.600 0.207 0.000 2.250 313 M HA 0.452 4.933 4.480 0.001 0.000 0.344 313 M C 1.297 177.727 176.300 0.216 0.000 1.150 313 M CA 0.649 56.047 55.300 0.165 0.000 1.147 313 M CB 0.677 33.303 32.600 0.043 0.000 1.498 313 M HN 0.501 nan 8.290 nan 0.000 0.461 314 R N 1.990 122.571 120.500 0.134 0.000 2.470 314 R HA 0.169 4.509 4.340 0.001 0.000 0.354 314 R C -0.381 175.966 176.300 0.078 0.000 1.058 314 R CA -0.279 55.890 56.100 0.116 0.000 1.183 314 R CB -0.391 29.951 30.300 0.070 0.000 1.398 314 R HN 0.613 nan 8.270 nan 0.000 0.679 315 L N 0.458 121.724 121.223 0.072 0.000 2.253 315 L HA 0.454 4.794 4.340 0.001 0.000 0.205 315 L C 0.950 177.852 176.870 0.054 0.000 1.078 315 L CA 2.118 56.987 54.840 0.049 0.000 0.805 315 L CB 0.096 42.172 42.059 0.029 0.000 0.963 315 L HN 0.609 nan 8.230 nan 0.000 0.459 316 G N -0.232 108.608 108.800 0.067 0.000 2.542 316 G HA2 -0.285 3.675 3.960 0.001 0.000 0.235 316 G HA3 -0.285 3.675 3.960 0.001 0.000 0.235 316 G C 0.308 175.239 174.900 0.051 0.000 1.286 316 G CA 0.090 45.229 45.100 0.064 0.000 0.904 316 G HN 0.465 nan 8.290 nan 0.000 0.577 317 E N -1.861 118.370 120.200 0.052 0.000 3.975 317 E HA -0.235 4.116 4.350 0.001 0.000 0.342 317 E C 1.586 178.220 176.600 0.056 0.000 0.677 317 E CA 1.986 58.416 56.400 0.050 0.000 1.238 317 E CB -1.587 28.138 29.700 0.041 0.000 1.665 317 E HN 2.779 nan 8.360 nan 0.000 0.429 318 G N -0.098 108.738 108.800 0.060 0.000 2.131 318 G HA2 -0.347 3.614 3.960 0.001 0.000 0.223 318 G HA3 -0.347 3.614 3.960 0.001 0.000 0.223 318 G C 0.821 175.751 174.900 0.050 0.000 0.990 318 G CA 1.109 46.250 45.100 0.069 0.000 0.671 318 G HN 0.752 nan 8.290 nan 0.000 0.521 319 S N -0.586 115.128 115.700 0.023 0.000 2.382 319 S HA 0.097 4.568 4.470 0.001 0.000 0.228 319 S C 2.447 177.012 174.600 -0.058 0.000 1.027 319 S CA 1.746 59.939 58.200 -0.012 0.000 0.991 319 S CB -0.540 62.646 63.200 -0.024 0.000 0.823 319 S HN 1.494 nan 8.310 nan 0.000 0.469 320 G N 1.321 110.050 108.800 -0.117 0.000 2.403 320 G HA2 0.192 4.152 3.960 0.001 0.000 0.216 320 G HA3 0.192 4.152 3.960 0.001 0.000 0.216 320 G C 1.630 176.555 174.900 0.041 0.000 1.154 320 G CA 0.598 45.568 45.100 -0.217 0.000 0.784 320 G HN 0.731 nan 8.290 nan 0.000 0.538 321 A N 1.285 124.164 122.820 0.098 0.000 1.902 321 A HA 0.270 4.591 4.320 0.001 0.000 0.217 321 A C 2.797 180.435 177.584 0.090 0.000 1.181 321 A CA 2.210 54.322 52.037 0.124 0.000 0.623 321 A CB -0.764 18.311 19.000 0.125 0.000 0.818 321 A HN 0.712 nan 8.150 nan 0.000 0.443 322 A N -0.661 122.196 122.820 0.061 0.000 1.902 322 A HA -0.027 4.293 4.320 0.001 0.000 0.217 322 A C 2.090 179.697 177.584 0.039 0.000 1.181 322 A CA 1.644 53.709 52.037 0.047 0.000 0.623 322 A CB -0.599 18.422 19.000 0.036 0.000 0.818 322 A HN 0.622 nan 8.150 nan 0.000 0.443 323 L N -0.556 120.685 121.223 0.030 0.000 2.191 323 L HA -0.044 4.297 4.340 0.001 0.000 0.212 323 L C 2.440 179.342 176.870 0.054 0.000 1.103 323 L CA 1.872 56.730 54.840 0.029 0.000 0.769 323 L CB -0.360 41.702 42.059 0.005 0.000 0.908 323 L HN 0.337 nan 8.230 nan 0.000 0.438 324 A N -1.663 121.205 122.820 0.081 0.000 2.178 324 A HA 0.007 4.327 4.320 0.001 0.000 0.211 324 A C 2.133 179.752 177.584 0.058 0.000 1.157 324 A CA 0.633 52.729 52.037 0.097 0.000 0.780 324 A CB -0.399 18.706 19.000 0.175 0.000 0.828 324 A HN 0.440 nan 8.150 nan 0.000 0.476 325 M N -0.098 119.532 119.600 0.050 0.000 2.106 325 M HA -0.141 4.339 4.480 0.001 0.000 0.259 325 M C -0.670 175.637 176.300 0.011 0.000 1.068 325 M CA 1.933 57.251 55.300 0.030 0.000 1.100 325 M CB -1.459 31.156 32.600 0.025 0.000 1.351 325 M HN 0.147 nan 8.290 nan 0.000 0.404 326 P HA -0.112 nan 4.420 nan 0.000 0.218 326 P C 1.320 178.613 177.300 -0.011 0.000 1.148 326 P CA 1.236 64.338 63.100 0.003 0.000 0.822 326 P CB -0.169 31.536 31.700 0.009 0.000 0.784 327 I N -1.520 119.034 120.570 -0.026 0.000 2.252 327 I HA -0.177 3.994 4.170 0.001 0.000 0.245 327 I C 2.074 178.137 176.117 -0.091 0.000 1.102 327 I CA 1.188 62.440 61.300 -0.080 0.000 1.385 327 I CB -0.666 37.245 38.000 -0.148 0.000 1.064 327 I HN -0.167 nan 8.210 nan 0.000 0.414 328 V N 0.785 120.664 119.914 -0.059 0.000 2.343 328 V HA -0.252 3.869 4.120 0.001 0.000 0.247 328 V C 2.303 178.387 176.094 -0.016 0.000 1.051 328 V CA 1.808 64.085 62.300 -0.038 0.000 1.036 328 V CB -0.681 31.139 31.823 -0.004 0.000 0.654 328 V HN 0.430 nan 8.190 nan 0.000 0.451 329 E N 0.284 120.480 120.200 -0.007 0.000 2.150 329 E HA -0.159 4.191 4.350 0.001 0.000 0.193 329 E C 2.318 178.931 176.600 0.021 0.000 0.985 329 E CA 1.159 57.564 56.400 0.009 0.000 0.814 329 E CB -0.285 29.418 29.700 0.005 0.000 0.752 329 E HN 0.614 nan 8.360 nan 0.000 0.466 330 A N 1.471 124.295 122.820 0.005 0.000 1.933 330 A HA -0.092 4.229 4.320 0.001 0.000 0.218 330 A C 2.385 179.986 177.584 0.030 0.000 1.175 330 A CA 1.539 53.584 52.037 0.013 0.000 0.628 330 A CB -0.511 18.483 19.000 -0.009 0.000 0.814 330 A HN 0.290 nan 8.150 nan 0.000 0.444 331 A N -1.007 121.821 122.820 0.013 0.000 1.933 331 A HA -0.154 4.167 4.320 0.001 0.000 0.218 331 A C 2.279 179.920 177.584 0.094 0.000 1.175 331 A CA 1.676 53.733 52.037 0.034 0.000 0.628 331 A CB -1.175 17.822 19.000 -0.004 0.000 0.814 331 A HN 0.601 nan 8.150 nan 0.000 0.444 332 C N -1.141 118.216 119.300 0.095 0.000 2.446 332 C HA 0.129 4.589 4.460 0.001 0.000 0.277 332 C C 3.312 178.477 174.990 0.292 0.000 1.275 332 C CA 0.595 59.726 59.018 0.188 0.000 1.727 332 C CB -1.292 26.532 27.740 0.141 0.000 2.010 332 C HN 0.709 nan 8.230 nan 0.000 0.486 333 A N 0.530 123.457 122.820 0.178 0.000 1.908 333 A HA -0.252 4.068 4.320 0.001 0.000 0.218 333 A C 2.237 179.917 177.584 0.160 0.000 1.181 333 A CA 2.101 54.234 52.037 0.159 0.000 0.627 333 A CB -0.782 18.271 19.000 0.087 0.000 0.818 333 A HN 0.638 nan 8.150 nan 0.000 0.445 334 M N -1.657 118.021 119.600 0.130 0.000 2.065 334 M HA -0.176 4.304 4.480 0.001 0.000 0.259 334 M C 2.136 178.507 176.300 0.120 0.000 1.069 334 M CA 2.442 57.801 55.300 0.099 0.000 1.110 334 M CB -0.408 32.241 32.600 0.081 0.000 1.328 334 M HN 0.435 nan 8.290 nan 0.000 0.405 335 F N 0.686 120.640 119.950 0.005 0.000 2.095 335 F HA -0.301 4.226 4.527 0.000 0.000 0.298 335 F C 2.351 178.106 175.800 -0.075 0.000 1.104 335 F CA 2.119 60.087 58.000 -0.053 0.000 1.232 335 F CB -0.405 38.472 39.000 -0.205 0.000 0.987 335 F HN 0.328 nan 8.300 nan 0.000 0.475 336 H N -1.033 118.228 119.070 0.319 0.000 2.497 336 H HA 0.110 4.667 4.556 0.001 0.000 0.282 336 H C 1.330 176.716 175.328 0.097 0.000 1.003 336 H CA 1.399 57.566 56.048 0.198 0.000 1.307 336 H CB -0.320 29.557 29.762 0.193 0.000 1.437 336 H HN 0.466 nan 8.280 nan 0.000 0.544 337 N N -0.164 118.646 118.700 0.184 0.000 2.322 337 N HA 0.089 4.830 4.740 0.001 0.000 0.181 337 N C 0.269 175.808 175.510 0.049 0.000 1.088 337 N CA -0.200 52.913 53.050 0.105 0.000 0.885 337 N CB 0.774 39.317 38.487 0.093 0.000 1.013 337 N HN 0.041 nan 8.380 nan 0.000 0.472 338 M N 1.125 120.738 119.600 0.021 0.000 2.240 338 M HA 0.148 4.628 4.480 0.001 0.000 0.333 338 M C 1.042 177.315 176.300 -0.045 0.000 1.110 338 M CA -0.225 55.063 55.300 -0.021 0.000 1.173 338 M CB 0.707 33.277 32.600 -0.050 0.000 1.458 338 M HN 0.072 nan 8.290 nan 0.000 0.458 339 G N 1.443 110.215 108.800 -0.046 0.000 2.588 339 G HA2 0.363 4.324 3.960 0.001 0.000 0.281 339 G HA3 0.363 4.324 3.960 0.001 0.000 0.281 339 G C -0.833 174.011 174.900 -0.093 0.000 1.236 339 G CA -0.587 44.481 45.100 -0.052 0.000 0.969 339 G HN 0.745 nan 8.290 nan 0.000 0.504 340 E N -0.522 119.625 120.200 -0.088 0.000 2.227 340 E HA 0.294 4.644 4.350 0.001 0.000 0.268 340 E C 1.004 177.557 176.600 -0.079 0.000 0.907 340 E CA -0.748 55.584 56.400 -0.114 0.000 0.786 340 E CB 2.565 32.193 29.700 -0.119 0.000 1.191 340 E HN 0.268 nan 8.360 nan 0.000 0.411 341 L N 1.322 122.495 121.223 -0.083 0.000 2.042 341 L HA -0.262 4.078 4.340 0.001 0.000 0.210 341 L C 2.386 179.228 176.870 -0.046 0.000 1.076 341 L CA 1.761 56.565 54.840 -0.059 0.000 0.749 341 L CB -0.479 41.545 42.059 -0.059 0.000 0.893 341 L HN 0.720 nan 8.230 nan 0.000 0.432 342 A N -0.013 122.778 122.820 -0.048 0.000 1.940 342 A HA -0.224 4.096 4.320 0.001 0.000 0.219 342 A C 2.493 180.060 177.584 -0.029 0.000 1.176 342 A CA 1.822 53.838 52.037 -0.035 0.000 0.631 342 A CB -0.742 18.238 19.000 -0.034 0.000 0.814 342 A HN 0.433 nan 8.150 nan 0.000 0.446 343 A N -1.114 121.687 122.820 -0.032 0.000 2.070 343 A HA 0.017 4.338 4.320 0.001 0.000 0.220 343 A C 2.080 179.651 177.584 -0.021 0.000 1.159 343 A CA 1.811 53.833 52.037 -0.024 0.000 0.656 343 A CB -0.393 18.592 19.000 -0.025 0.000 0.800 343 A HN 0.416 nan 8.150 nan 0.000 0.453 344 S N -0.921 114.764 115.700 -0.024 0.000 2.554 344 S HA 0.145 4.615 4.470 0.001 0.000 0.226 344 S C 0.363 174.952 174.600 -0.018 0.000 0.980 344 S CA 0.092 58.280 58.200 -0.020 0.000 0.939 344 S CB -0.328 62.858 63.200 -0.022 0.000 0.832 344 S HN 0.763 nan 8.310 nan 0.000 0.486 345 N N 0.676 119.365 118.700 -0.019 0.000 2.753 345 N HA -0.158 4.582 4.740 0.001 0.000 0.251 345 N C -0.630 174.870 175.510 -0.017 0.000 1.097 345 N CA 0.485 53.525 53.050 -0.017 0.000 0.786 345 N CB -1.217 37.262 38.487 -0.013 0.000 1.137 345 N HN 0.435 nan 8.380 nan 0.000 0.566 346 I N 0.877 121.435 120.570 -0.021 0.000 2.428 346 I HA 0.317 4.487 4.170 0.001 0.000 0.289 346 I C 0.358 176.462 176.117 -0.022 0.000 1.019 346 I CA -0.689 60.598 61.300 -0.021 0.000 1.351 346 I CB 1.216 39.202 38.000 -0.023 0.000 1.412 346 I HN -0.230 nan 8.210 nan 0.000 0.513 347 V N 7.491 127.394 119.914 -0.019 0.000 2.483 347 V HA 0.471 4.592 4.120 0.001 0.000 0.297 347 V C -0.334 175.749 176.094 -0.018 0.000 1.027 347 V CA -0.492 61.797 62.300 -0.019 0.000 0.855 347 V CB 1.719 33.532 31.823 -0.016 0.000 0.995 347 V HN 0.461 nan 8.190 nan 0.000 0.424 348 L N 6.804 128.015 121.223 -0.020 0.000 2.406 348 L HA 0.605 4.945 4.340 0.001 0.000 0.272 348 L C -1.737 175.123 176.870 -0.017 0.000 0.980 348 L CA -1.296 53.534 54.840 -0.018 0.000 0.831 348 L CB 2.187 44.234 42.059 -0.020 0.000 1.253 348 L HN 0.527 nan 8.230 nan 0.000 0.406 349 P HA 0.000 nan 4.420 nan 0.000 0.216 349 P CA 0.000 63.093 63.100 -0.011 0.000 0.800 349 P CB 0.000 31.695 31.700 -0.009 0.000 0.726