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 1l4e_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 0.000 174.695 174.700 -0.008 0.000 1.109 3 T CA 0.000 62.096 62.100 -0.007 0.000 1.349 3 T CB 0.000 68.865 68.868 -0.005 0.000 0.612 4 L N 1.966 123.185 121.223 -0.007 0.000 2.156 4 L HA 0.073 4.413 4.340 0.001 0.000 0.208 4 L C 3.202 180.067 176.870 -0.007 0.000 1.095 4 L CA 2.470 57.305 54.840 -0.008 0.000 0.770 4 L CB -0.373 41.684 42.059 -0.004 0.000 0.914 4 L HN 1.112 nan 8.230 nan 0.000 0.439 5 H N -1.167 117.901 119.070 -0.004 0.000 2.353 5 H HA -0.013 4.544 4.556 0.001 0.000 0.300 5 H C 2.191 177.516 175.328 -0.005 0.000 1.090 5 H CA 1.654 57.700 56.048 -0.003 0.000 1.327 5 H CB -0.622 29.140 29.762 -0.001 0.000 1.383 5 H HN 0.568 nan 8.280 nan 0.000 0.508 6 A N 0.467 123.283 122.820 -0.007 0.000 1.877 6 A HA 0.073 4.394 4.320 0.001 0.000 0.216 6 A C 2.623 180.199 177.584 -0.013 0.000 1.186 6 A CA 1.799 53.831 52.037 -0.008 0.000 0.620 6 A CB -0.798 18.197 19.000 -0.009 0.000 0.822 6 A HN 0.685 nan 8.150 nan 0.000 0.443 7 L N -0.003 121.210 121.223 -0.016 0.000 1.971 7 L HA -0.197 4.144 4.340 0.001 0.000 0.215 7 L C 2.298 179.153 176.870 -0.025 0.000 1.072 7 L CA 2.136 56.961 54.840 -0.025 0.000 0.758 7 L CB -0.526 41.517 42.059 -0.027 0.000 0.889 7 L HN 0.415 nan 8.230 nan 0.000 0.433 8 L N -0.736 120.476 121.223 -0.018 0.000 2.141 8 L HA -0.169 4.172 4.340 0.001 0.000 0.209 8 L C 2.809 179.675 176.870 -0.007 0.000 1.094 8 L CA 1.424 56.256 54.840 -0.013 0.000 0.763 8 L CB -0.662 41.393 42.059 -0.007 0.000 0.908 8 L HN 0.381 nan 8.230 nan 0.000 0.437 9 R N 0.379 120.876 120.500 -0.006 0.000 2.090 9 R HA -0.135 4.205 4.340 0.001 0.000 0.228 9 R C 0.833 177.132 176.300 -0.002 0.000 1.110 9 R CA 1.464 57.563 56.100 -0.002 0.000 0.973 9 R CB 0.010 30.309 30.300 -0.001 0.000 0.869 9 R HN 0.281 nan 8.270 nan 0.000 0.440 10 D N 0.500 120.895 120.400 -0.009 0.000 2.319 10 D HA 0.102 4.742 4.640 0.001 0.000 0.230 10 D C 0.048 176.337 176.300 -0.017 0.000 1.094 10 D CA 0.220 54.213 54.000 -0.011 0.000 0.856 10 D CB 0.075 40.865 40.800 -0.017 0.000 0.915 10 D HN 0.257 nan 8.370 nan 0.000 0.517 11 I N 3.404 123.966 120.570 -0.015 0.000 2.517 11 I HA 0.063 4.233 4.170 0.001 0.000 0.285 11 I C -1.736 174.399 176.117 0.030 0.000 1.106 11 I CA -1.430 59.857 61.300 -0.021 0.000 1.402 11 I CB 0.610 38.605 38.000 -0.008 0.000 1.399 11 I HN -0.214 nan 8.210 nan 0.000 0.535 12 P HA 0.207 nan 4.420 nan 0.000 0.275 12 P C -0.678 176.734 177.300 0.187 0.000 1.228 12 P CA -0.425 62.734 63.100 0.099 0.000 0.786 12 P CB 1.103 32.855 31.700 0.086 0.000 0.927 13 A N 4.606 127.495 122.820 0.116 0.000 2.287 13 A HA 0.564 4.884 4.320 0.001 0.000 0.273 13 A C -1.969 175.661 177.584 0.076 0.000 1.091 13 A CA -1.367 50.721 52.037 0.086 0.000 0.817 13 A CB -1.006 18.018 19.000 0.041 0.000 1.069 13 A HN 0.472 nan 8.150 nan 0.000 0.492 14 P HA 0.112 nan 4.420 nan 0.000 0.274 14 P C -1.027 176.270 177.300 -0.006 0.000 1.231 14 P CA -0.181 62.896 63.100 -0.038 0.000 0.790 14 P CB 0.552 32.175 31.700 -0.130 0.000 0.951 15 D N 1.418 121.819 120.400 0.001 0.000 2.402 15 D HA 0.229 4.870 4.640 0.001 0.000 0.235 15 D C 1.247 177.545 176.300 -0.003 0.000 1.226 15 D CA -0.303 53.702 54.000 0.007 0.000 0.918 15 D CB 0.447 41.256 40.800 0.015 0.000 1.043 15 D HN 0.279 nan 8.370 nan 0.000 0.506 16 A N 4.310 127.129 122.820 -0.002 0.000 1.972 16 A HA -0.167 4.154 4.320 0.001 0.000 0.219 16 A C 1.922 179.510 177.584 0.005 0.000 1.169 16 A CA 0.922 52.957 52.037 -0.002 0.000 0.635 16 A CB -0.281 18.718 19.000 -0.001 0.000 0.810 16 A HN 0.590 nan 8.150 nan 0.000 0.446 17 E N 0.510 120.715 120.200 0.009 0.000 2.072 17 E HA -0.135 4.215 4.350 0.001 0.000 0.191 17 E C 2.144 178.755 176.600 0.018 0.000 0.985 17 E CA 1.326 57.734 56.400 0.014 0.000 0.801 17 E CB -0.311 29.397 29.700 0.014 0.000 0.750 17 E HN 0.475 nan 8.360 nan 0.000 0.452 18 A N 0.624 123.452 122.820 0.013 0.000 1.929 18 A HA -0.086 4.235 4.320 0.001 0.000 0.216 18 A C 2.338 179.930 177.584 0.014 0.000 1.176 18 A CA 1.352 53.397 52.037 0.013 0.000 0.628 18 A CB -0.445 18.555 19.000 0.000 0.000 0.816 18 A HN 0.266 nan 8.150 nan 0.000 0.444 19 M N -0.467 119.136 119.600 0.005 0.000 2.159 19 M HA -0.124 4.356 4.480 0.001 0.000 0.263 19 M C 2.496 178.816 176.300 0.033 0.000 1.063 19 M CA 1.372 56.677 55.300 0.007 0.000 1.110 19 M CB -0.371 32.225 32.600 -0.006 0.000 1.374 19 M HN 0.471 nan 8.290 nan 0.000 0.411 20 A N 0.378 123.217 122.820 0.031 0.000 1.898 20 A HA -0.136 4.184 4.320 0.001 0.000 0.216 20 A C 2.174 179.794 177.584 0.060 0.000 1.181 20 A CA 1.467 53.527 52.037 0.038 0.000 0.620 20 A CB -0.573 18.443 19.000 0.027 0.000 0.819 20 A HN 0.399 nan 8.150 nan 0.000 0.442 21 R N -1.042 119.497 120.500 0.065 0.000 2.096 21 R HA -0.081 4.260 4.340 0.001 0.000 0.235 21 R C 2.233 178.629 176.300 0.160 0.000 1.127 21 R CA 1.731 57.885 56.100 0.090 0.000 0.968 21 R CB -0.538 29.808 30.300 0.075 0.000 0.861 21 R HN 0.539 nan 8.270 nan 0.000 0.440 22 T N 0.539 115.200 114.554 0.178 0.000 2.737 22 T HA -0.190 4.160 4.350 0.001 0.000 0.265 22 T C 1.689 176.572 174.700 0.305 0.000 1.038 22 T CA 1.418 63.718 62.100 0.333 0.000 1.144 22 T CB -0.154 68.801 68.868 0.145 0.000 0.866 22 T HN 0.178 nan 8.240 nan 0.000 0.434 23 Q N 1.302 121.197 119.800 0.160 0.000 2.084 23 Q HA -0.127 4.214 4.340 0.001 0.000 0.202 23 Q C 2.584 178.635 176.000 0.086 0.000 0.978 23 Q CA 2.508 58.376 55.803 0.110 0.000 0.844 23 Q CB -0.783 27.993 28.738 0.064 0.000 0.898 23 Q HN 0.649 nan 8.270 nan 0.000 0.426 24 Q N 0.052 119.903 119.800 0.085 0.000 2.061 24 Q HA -0.239 4.102 4.340 0.001 0.000 0.204 24 Q C 2.066 178.090 176.000 0.041 0.000 0.984 24 Q CA 1.906 57.742 55.803 0.054 0.000 0.846 24 Q CB -1.423 27.350 28.738 0.058 0.000 0.902 24 Q HN 0.808 nan 8.270 nan 0.000 0.421 25 H N -0.321 118.731 119.070 -0.031 0.000 2.353 25 H HA -0.014 4.542 4.556 0.001 0.000 0.300 25 H C 2.187 177.407 175.328 -0.180 0.000 1.090 25 H CA 1.633 57.591 56.048 -0.150 0.000 1.327 25 H CB 0.022 29.606 29.762 -0.297 0.000 1.383 25 H HN 0.525 nan 8.280 nan 0.000 0.508 26 I N 0.874 121.377 120.570 -0.112 0.000 2.286 26 I HA -0.256 3.914 4.170 0.001 0.000 0.248 26 I C 1.953 177.996 176.117 -0.123 0.000 1.115 26 I CA 1.272 62.502 61.300 -0.116 0.000 1.392 26 I CB -0.237 37.805 38.000 0.069 0.000 1.065 26 I HN 0.199 nan 8.210 nan 0.000 0.418 27 D N 0.803 121.158 120.400 -0.075 0.000 2.218 27 D HA -0.110 4.531 4.640 0.001 0.000 0.204 27 D C 2.062 178.303 176.300 -0.097 0.000 0.976 27 D CA 1.315 55.277 54.000 -0.063 0.000 0.853 27 D CB -0.324 40.458 40.800 -0.030 0.000 0.939 27 D HN 0.394 nan 8.370 nan 0.000 0.481 28 G N -0.189 108.519 108.800 -0.153 0.000 2.985 28 G HA2 0.127 4.088 3.960 0.001 0.000 0.209 28 G HA3 0.127 4.088 3.960 0.001 0.000 0.209 28 G C 0.731 175.510 174.900 -0.202 0.000 1.165 28 G CA -0.205 44.798 45.100 -0.162 0.000 0.776 28 G HN 0.163 nan 8.290 nan 0.000 0.541 29 L N -0.039 121.042 121.223 -0.236 0.000 2.472 29 L HA 0.229 4.569 4.340 0.001 0.000 0.260 29 L C 0.656 177.453 176.870 -0.122 0.000 1.209 29 L CA -1.085 53.627 54.840 -0.213 0.000 0.817 29 L CB 0.705 42.632 42.059 -0.220 0.000 1.106 29 L HN -0.094 nan 8.230 nan 0.000 0.479 30 L N 3.158 124.323 121.223 -0.098 0.000 2.450 30 L HA 0.053 4.394 4.340 0.001 0.000 0.256 30 L C -0.013 176.828 176.870 -0.049 0.000 1.374 30 L CA 0.905 55.707 54.840 -0.063 0.000 1.210 30 L CB -1.766 40.263 42.059 -0.051 0.000 1.394 30 L HN 0.610 nan 8.230 nan 0.000 0.438 31 K N 1.642 122.014 120.400 -0.048 0.000 2.703 31 K HA 0.499 4.820 4.320 0.001 0.000 0.285 31 K C -3.148 173.433 176.600 -0.032 0.000 1.014 31 K CA -1.483 54.783 56.287 -0.035 0.000 0.858 31 K CB 0.616 33.096 32.500 -0.033 0.000 1.467 31 K HN -0.220 nan 8.250 nan 0.000 0.383 32 P HA 0.181 nan 4.420 nan 0.000 0.271 32 P C -2.494 174.794 177.300 -0.020 0.000 1.216 32 P CA -1.159 61.929 63.100 -0.020 0.000 0.771 32 P CB -0.272 31.420 31.700 -0.013 0.000 0.864 33 P HA -0.035 nan 4.420 nan 0.000 0.261 33 P C 1.162 178.456 177.300 -0.009 0.000 1.173 33 P CA 1.631 64.720 63.100 -0.018 0.000 0.760 33 P CB -0.158 31.533 31.700 -0.016 0.000 0.783 34 G N 2.824 111.621 108.800 -0.005 0.000 2.189 34 G HA2 -0.337 3.624 3.960 0.001 0.000 0.267 34 G HA3 -0.337 3.624 3.960 0.001 0.000 0.267 34 G C 1.232 176.134 174.900 0.005 0.000 0.975 34 G CA 0.702 45.805 45.100 0.004 0.000 0.644 34 G HN 0.580 nan 8.290 nan 0.000 0.537 35 S N -0.587 115.112 115.700 -0.001 0.000 2.474 35 S HA 0.178 4.649 4.470 0.001 0.000 0.235 35 S C 1.865 176.468 174.600 0.005 0.000 0.997 35 S CA 1.131 59.331 58.200 0.001 0.000 0.949 35 S CB -0.070 63.128 63.200 -0.005 0.000 0.766 35 S HN 0.485 nan 8.310 nan 0.000 0.517 36 L N 1.568 122.795 121.223 0.007 0.000 2.629 36 L HA 0.279 4.619 4.340 0.001 0.000 0.230 36 L C 1.973 178.855 176.870 0.021 0.000 1.151 36 L CA -0.001 54.846 54.840 0.011 0.000 0.924 36 L CB -1.166 40.898 42.059 0.009 0.000 1.137 36 L HN 0.546 nan 8.230 nan 0.000 0.457 37 G N 1.278 110.092 108.800 0.024 0.000 2.686 37 G HA2 -0.482 3.479 3.960 0.001 0.000 0.359 37 G HA3 -0.482 3.479 3.960 0.001 0.000 0.359 37 G C 1.066 175.997 174.900 0.052 0.000 1.222 37 G CA 1.134 46.256 45.100 0.037 0.000 0.956 37 G HN 0.364 nan 8.290 nan 0.000 0.565 38 R N -0.565 119.981 120.500 0.077 0.000 2.200 38 R HA 0.097 4.438 4.340 0.001 0.000 0.234 38 R C 2.649 178.989 176.300 0.065 0.000 1.127 38 R CA 1.428 57.601 56.100 0.121 0.000 0.989 38 R CB -0.466 29.977 30.300 0.239 0.000 0.869 38 R HN 0.377 nan 8.270 nan 0.000 0.459 39 L N 0.791 122.024 121.223 0.016 0.000 2.141 39 L HA -0.103 4.237 4.340 0.001 0.000 0.209 39 L C 1.462 178.342 176.870 0.017 0.000 1.094 39 L CA 1.755 56.583 54.840 -0.021 0.000 0.763 39 L CB -0.162 41.886 42.059 -0.019 0.000 0.908 39 L HN 0.202 nan 8.230 nan 0.000 0.437 40 E N -1.359 118.863 120.200 0.037 0.000 2.046 40 E HA -0.170 4.181 4.350 0.001 0.000 0.190 40 E C 1.989 178.620 176.600 0.053 0.000 0.982 40 E CA 1.599 58.031 56.400 0.053 0.000 0.800 40 E CB -0.271 29.457 29.700 0.046 0.000 0.756 40 E HN 0.626 nan 8.360 nan 0.000 0.449 41 T N 0.452 115.037 114.554 0.053 0.000 2.867 41 T HA -0.135 4.215 4.350 0.001 0.000 0.268 41 T C 1.978 176.708 174.700 0.050 0.000 1.057 41 T CA 0.711 62.842 62.100 0.052 0.000 1.136 41 T CB -0.200 68.705 68.868 0.062 0.000 0.874 41 T HN 0.015 nan 8.240 nan 0.000 0.466 42 L N 1.932 123.188 121.223 0.055 0.000 2.056 42 L HA 0.283 4.624 4.340 0.001 0.000 0.207 42 L C 2.847 179.717 176.870 0.001 0.000 1.078 42 L CA 1.767 56.633 54.840 0.042 0.000 0.749 42 L CB -1.372 40.683 42.059 -0.006 0.000 0.901 42 L HN 0.334 nan 8.230 nan 0.000 0.433 43 A N -1.059 121.757 122.820 -0.006 0.000 1.908 43 A HA -0.152 4.168 4.320 0.001 0.000 0.218 43 A C 2.254 179.783 177.584 -0.092 0.000 1.181 43 A CA 2.077 54.082 52.037 -0.054 0.000 0.627 43 A CB -1.111 17.900 19.000 0.018 0.000 0.818 43 A HN 0.325 nan 8.150 nan 0.000 0.445 44 V N -0.078 119.821 119.914 -0.024 0.000 2.358 44 V HA -0.301 3.819 4.120 0.001 0.000 0.246 44 V C 2.694 178.762 176.094 -0.043 0.000 1.047 44 V CA 2.212 64.498 62.300 -0.024 0.000 1.035 44 V CB -0.836 30.997 31.823 0.016 0.000 0.658 44 V HN 0.765 nan 8.190 nan 0.000 0.452 45 Q N -0.152 119.631 119.800 -0.029 0.000 2.061 45 Q HA -0.233 4.108 4.340 0.001 0.000 0.204 45 Q C 2.276 178.242 176.000 -0.055 0.000 0.984 45 Q CA 2.050 57.828 55.803 -0.041 0.000 0.846 45 Q CB -0.198 28.531 28.738 -0.014 0.000 0.902 45 Q HN 0.616 nan 8.270 nan 0.000 0.421 46 L N 0.157 121.350 121.223 -0.049 0.000 2.042 46 L HA -0.184 4.157 4.340 0.001 0.000 0.210 46 L C 2.592 179.420 176.870 -0.071 0.000 1.076 46 L CA 1.031 55.843 54.840 -0.047 0.000 0.749 46 L CB -0.658 41.366 42.059 -0.059 0.000 0.893 46 L HN 0.291 nan 8.230 nan 0.000 0.432 47 A N 0.266 123.013 122.820 -0.122 0.000 2.024 47 A HA -0.125 4.195 4.320 0.001 0.000 0.220 47 A C 2.299 179.847 177.584 -0.061 0.000 1.164 47 A CA 1.674 53.634 52.037 -0.129 0.000 0.643 47 A CB -1.029 17.869 19.000 -0.170 0.000 0.806 47 A HN 0.468 nan 8.150 nan 0.000 0.451 48 G N -1.223 107.545 108.800 -0.053 0.000 2.712 48 G HA2 0.211 4.171 3.960 0.001 0.000 0.212 48 G HA3 0.211 4.171 3.960 0.001 0.000 0.212 48 G C 0.684 175.575 174.900 -0.015 0.000 1.142 48 G CA -0.142 44.933 45.100 -0.040 0.000 0.789 48 G HN 0.481 nan 8.290 nan 0.000 0.535 49 M N 1.189 120.797 119.600 0.014 0.000 2.156 49 M HA 0.191 4.671 4.480 0.001 0.000 0.345 49 M C -1.716 174.667 176.300 0.139 0.000 1.398 49 M CA -1.589 53.798 55.300 0.146 0.000 1.148 49 M CB 1.617 34.337 32.600 0.200 0.000 1.663 49 M HN -0.151 nan 8.290 nan 0.000 0.464 50 P HA -0.174 nan 4.420 nan 0.000 0.217 50 P C 1.366 178.705 177.300 0.066 0.000 1.151 50 P CA 1.393 64.547 63.100 0.091 0.000 0.849 50 P CB 0.047 31.802 31.700 0.091 0.000 0.787 51 G N -1.051 107.795 108.800 0.076 0.000 2.625 51 G HA2 -0.136 3.825 3.960 0.001 0.000 0.214 51 G HA3 -0.136 3.825 3.960 0.001 0.000 0.214 51 G C 1.100 176.022 174.900 0.037 0.000 1.132 51 G CA 0.176 45.304 45.100 0.047 0.000 0.782 51 G HN 0.276 nan 8.290 nan 0.000 0.538 52 L N -0.071 121.177 121.223 0.042 0.000 2.628 52 L HA 0.177 4.518 4.340 0.001 0.000 0.229 52 L C 0.318 177.193 176.870 0.008 0.000 1.137 52 L CA -0.315 54.536 54.840 0.018 0.000 0.909 52 L CB -0.223 41.844 42.059 0.013 0.000 1.137 52 L HN 0.086 nan 8.230 nan 0.000 0.470 53 N N 0.915 119.623 118.700 0.014 0.000 2.756 53 N HA -0.191 4.550 4.740 0.001 0.000 0.248 53 N C 1.065 176.580 175.510 0.008 0.000 1.062 53 N CA 0.965 54.022 53.050 0.011 0.000 0.696 53 N CB -1.718 36.773 38.487 0.007 0.000 0.946 53 N HN 0.569 nan 8.380 nan 0.000 0.548 54 G N -1.834 106.968 108.800 0.002 0.000 2.180 54 G HA2 -0.312 3.648 3.960 0.001 0.000 0.263 54 G HA3 -0.312 3.648 3.960 0.001 0.000 0.263 54 G C 0.133 175.013 174.900 -0.035 0.000 0.989 54 G CA 1.293 46.388 45.100 -0.007 0.000 0.692 54 G HN 1.013 nan 8.290 nan 0.000 0.526 55 T N -0.472 114.048 114.554 -0.057 0.000 2.923 55 T HA 0.600 4.951 4.350 0.001 0.000 0.311 55 T C -3.146 171.455 174.700 -0.165 0.000 1.183 55 T CA -1.060 60.959 62.100 -0.134 0.000 1.020 55 T CB 2.281 71.175 68.868 0.044 0.000 1.165 55 T HN -0.068 nan 8.240 nan 0.000 0.482 56 P HA 0.307 nan 4.420 nan 0.000 0.271 56 P C -1.244 176.071 177.300 0.025 0.000 1.233 56 P CA 0.069 63.036 63.100 -0.223 0.000 0.764 56 P CB 0.169 31.614 31.700 -0.425 0.000 0.825 57 Q N 1.192 120.996 119.800 0.007 0.000 2.472 57 Q HA 0.699 5.040 4.340 0.001 0.000 0.281 57 Q C -1.991 173.999 176.000 -0.017 0.000 0.997 57 Q CA -1.108 54.700 55.803 0.008 0.000 0.828 57 Q CB 1.338 30.063 28.738 -0.022 0.000 1.443 57 Q HN 0.057 nan 8.270 nan 0.000 0.390 58 V N 1.692 121.589 119.914 -0.028 0.000 2.525 58 V HA 0.659 4.779 4.120 0.001 0.000 0.299 58 V C 0.148 176.211 176.094 -0.052 0.000 1.034 58 V CA 0.197 62.474 62.300 -0.040 0.000 0.863 58 V CB 1.208 33.013 31.823 -0.029 0.000 0.999 58 V HN 0.988 nan 8.190 nan 0.000 0.423 59 G N 3.358 112.117 108.800 -0.068 0.000 3.387 59 G HA2 0.299 4.259 3.960 0.001 0.000 0.195 59 G HA3 0.299 4.259 3.960 0.001 0.000 0.195 59 G C -0.029 174.826 174.900 -0.075 0.000 1.853 59 G CA -0.142 44.918 45.100 -0.068 0.000 0.879 59 G HN 0.542 nan 8.290 nan 0.000 0.651 60 E N 0.782 120.927 120.200 -0.093 0.000 2.349 60 E HA 0.413 4.763 4.350 0.001 0.000 0.265 60 E C -0.672 175.841 176.600 -0.145 0.000 1.064 60 E CA 0.104 56.448 56.400 -0.094 0.000 0.886 60 E CB 1.610 31.260 29.700 -0.083 0.000 1.036 60 E HN 0.226 nan 8.360 nan 0.000 0.413 61 K N 0.362 120.695 120.400 -0.112 0.000 2.316 61 K HA 0.717 5.038 4.320 0.001 0.000 0.251 61 K C -0.987 175.555 176.600 -0.097 0.000 0.934 61 K CA -0.662 55.545 56.287 -0.133 0.000 0.802 61 K CB 2.219 34.680 32.500 -0.065 0.000 1.171 61 K HN 0.504 nan 8.250 nan 0.000 0.426 62 A N 1.709 124.446 122.820 -0.138 0.000 2.449 62 A HA 0.657 4.977 4.320 0.001 0.000 0.302 62 A C -1.333 176.298 177.584 0.078 0.000 1.048 62 A CA -0.711 51.318 52.037 -0.013 0.000 0.708 62 A CB 1.464 20.397 19.000 -0.111 0.000 1.274 62 A HN 0.389 nan 8.150 nan 0.000 0.410 63 V N 2.596 122.597 119.914 0.145 0.000 2.409 63 V HA 0.395 4.515 4.120 0.001 0.000 0.291 63 V C -1.001 175.203 176.094 0.184 0.000 1.020 63 V CA -0.362 62.030 62.300 0.153 0.000 0.848 63 V CB 1.163 33.059 31.823 0.123 0.000 0.990 63 V HN 0.696 nan 8.190 nan 0.000 0.430 64 L N 6.244 127.569 121.223 0.169 0.000 2.265 64 L HA 0.489 4.830 4.340 0.001 0.000 0.289 64 L C -0.089 176.849 176.870 0.114 0.000 1.033 64 L CA 0.065 55.000 54.840 0.159 0.000 0.814 64 L CB 1.632 43.773 42.059 0.136 0.000 1.203 64 L HN 0.400 nan 8.230 nan 0.000 0.423 65 V N 4.695 124.673 119.914 0.107 0.000 2.328 65 V HA 0.418 4.538 4.120 0.001 0.000 0.278 65 V C 0.184 176.309 176.094 0.052 0.000 1.021 65 V CA -0.673 61.672 62.300 0.075 0.000 0.838 65 V CB 1.218 33.084 31.823 0.073 0.000 0.999 65 V HN 0.567 nan 8.190 nan 0.000 0.447 66 M N 4.516 124.143 119.600 0.045 0.000 2.108 66 M HA 0.374 4.854 4.480 0.001 0.000 0.354 66 M C -0.460 175.868 176.300 0.046 0.000 1.229 66 M CA -0.102 55.217 55.300 0.033 0.000 1.081 66 M CB 0.507 33.129 32.600 0.036 0.000 1.606 66 M HN 0.540 nan 8.290 nan 0.000 0.467 67 C N 3.011 122.331 119.300 0.034 0.000 2.379 67 C HA 1.006 5.467 4.460 0.001 0.000 0.323 67 C C 0.264 175.279 174.990 0.041 0.000 1.262 67 C CA -0.666 58.377 59.018 0.042 0.000 1.581 67 C CB 0.823 28.578 27.740 0.025 0.000 2.221 67 C HN 0.985 nan 8.230 nan 0.000 0.497 68 A N 2.513 125.363 122.820 0.050 0.000 2.597 68 A HA 0.708 5.029 4.320 0.001 0.000 0.292 68 A C -1.792 175.759 177.584 -0.056 0.000 1.057 68 A CA -0.466 51.579 52.037 0.013 0.000 0.674 68 A CB 0.949 19.977 19.000 0.046 0.000 1.278 68 A HN 0.748 nan 8.150 nan 0.000 0.416 69 D N 0.611 120.950 120.400 -0.101 0.000 2.326 69 D HA 0.535 5.175 4.640 0.001 0.000 0.251 69 D C -0.869 175.246 176.300 -0.309 0.000 1.023 69 D CA 0.061 54.012 54.000 -0.083 0.000 0.966 69 D CB 0.913 41.682 40.800 -0.051 0.000 1.156 69 D HN 0.556 nan 8.370 nan 0.000 0.494 70 H N -0.613 118.457 119.070 0.000 0.000 2.600 70 H HA 0.252 4.808 4.556 0.001 0.000 0.357 70 H C 0.885 176.242 175.328 0.048 0.000 1.106 70 H CA -0.651 55.390 56.048 -0.011 0.000 1.193 70 H CB 2.180 31.952 29.762 0.016 0.000 1.594 70 H HN 0.575 nan 8.280 nan 0.000 0.526 71 G N 1.407 110.268 108.800 0.101 0.000 2.443 71 G HA2 -0.198 3.763 3.960 0.001 0.000 0.219 71 G HA3 -0.198 3.763 3.960 0.001 0.000 0.219 71 G C 1.431 176.423 174.900 0.154 0.000 1.131 71 G CA 0.592 45.755 45.100 0.105 0.000 0.775 71 G HN 0.455 nan 8.290 nan 0.000 0.547 72 V N -0.122 119.878 119.914 0.143 0.000 3.026 72 V HA -0.069 4.051 4.120 0.001 0.000 0.265 72 V C 2.050 178.216 176.094 0.120 0.000 1.121 72 V CA 1.511 63.869 62.300 0.097 0.000 1.142 72 V CB -0.407 31.444 31.823 0.046 0.000 0.730 72 V HN 0.638 nan 8.190 nan 0.000 0.503 73 W N 0.929 122.244 121.300 0.024 0.000 2.342 73 W HA -0.179 4.481 4.660 0.001 0.000 0.297 73 W C 1.857 178.382 176.519 0.009 0.000 1.213 73 W CA 1.717 59.072 57.345 0.017 0.000 1.251 73 W CB -0.040 29.441 29.460 0.035 0.000 1.136 73 W HN 0.351 nan 8.180 nan 0.000 0.526 74 D N 0.288 120.849 120.400 0.269 0.000 2.351 74 D HA -0.153 4.488 4.640 0.001 0.000 0.216 74 D C 1.474 177.734 176.300 -0.067 0.000 0.968 74 D CA 1.079 55.156 54.000 0.130 0.000 0.899 74 D CB -0.334 40.566 40.800 0.167 0.000 0.907 74 D HN 0.312 nan 8.370 nan 0.000 0.514 75 E N -0.104 120.039 120.200 -0.095 0.000 2.494 75 E HA 0.126 4.477 4.350 0.001 0.000 0.193 75 E C 1.245 177.733 176.600 -0.187 0.000 1.074 75 E CA 0.151 56.486 56.400 -0.109 0.000 0.867 75 E CB 0.005 29.664 29.700 -0.069 0.000 0.924 75 E HN 0.264 nan 8.360 nan 0.000 0.502 76 G N 1.589 110.187 108.800 -0.336 0.000 2.221 76 G HA2 -0.307 3.653 3.960 0.001 0.000 0.265 76 G HA3 -0.307 3.653 3.960 0.001 0.000 0.265 76 G C 0.923 175.642 174.900 -0.302 0.000 1.041 76 G CA 0.537 45.411 45.100 -0.376 0.000 0.807 76 G HN 0.343 nan 8.290 nan 0.000 0.502 77 V N -3.833 115.900 119.914 -0.302 0.000 3.649 77 V HA 0.761 4.881 4.120 0.001 0.000 0.275 77 V C 0.947 176.934 176.094 -0.178 0.000 1.281 77 V CA 0.898 63.084 62.300 -0.191 0.000 1.143 77 V CB 0.139 31.888 31.823 -0.124 0.000 0.892 77 V HN 1.875 nan 8.190 nan 0.000 0.441 78 A N 0.175 122.827 122.820 -0.280 0.000 2.427 78 A HA 0.698 5.018 4.320 0.001 0.000 0.298 78 A C 0.372 177.880 177.584 -0.128 0.000 1.036 78 A CA 0.175 52.128 52.037 -0.140 0.000 0.701 78 A CB 2.054 21.059 19.000 0.009 0.000 1.250 78 A HN 0.915 nan 8.150 nan 0.000 0.412 79 V N -0.069 119.834 119.914 -0.018 0.000 2.951 79 V HA 0.090 4.211 4.120 0.001 0.000 0.255 79 V C 0.766 176.929 176.094 0.115 0.000 1.088 79 V CA 1.271 63.579 62.300 0.015 0.000 1.109 79 V CB -0.789 31.040 31.823 0.009 0.000 0.724 79 V HN 0.589 nan 8.190 nan 0.000 0.471 80 S N 2.516 118.320 115.700 0.173 0.000 2.548 80 S HA 0.445 4.915 4.470 0.001 0.000 0.277 80 S C -2.271 172.543 174.600 0.357 0.000 1.315 80 S CA -0.593 57.730 58.200 0.206 0.000 1.050 80 S CB 0.653 63.947 63.200 0.157 0.000 0.918 80 S HN 0.354 nan 8.310 nan 0.000 0.497 81 P HA 0.118 nan 4.420 nan 0.000 0.268 81 P C 0.652 177.918 177.300 -0.056 0.000 1.208 81 P CA -0.316 62.893 63.100 0.182 0.000 0.777 81 P CB 0.535 32.280 31.700 0.074 0.000 0.875 82 K N 1.850 121.939 120.400 -0.517 0.000 2.147 82 K HA -0.150 4.171 4.320 0.001 0.000 0.205 82 K C 1.609 178.023 176.600 -0.310 0.000 1.049 82 K CA 1.352 57.221 56.287 -0.697 0.000 0.936 82 K CB -0.487 31.343 32.500 -1.117 0.000 0.722 82 K HN 0.420 nan 8.250 nan 0.000 0.446 83 I N -1.642 118.798 120.570 -0.216 0.000 2.567 83 I HA -0.145 4.025 4.170 0.001 0.000 0.257 83 I C 1.602 177.679 176.117 -0.068 0.000 1.184 83 I CA 0.893 62.121 61.300 -0.121 0.000 1.451 83 I CB -0.721 37.226 38.000 -0.088 0.000 1.089 83 I HN -0.200 nan 8.210 nan 0.000 0.441 84 V N 1.433 121.318 119.914 -0.048 0.000 2.453 84 V HA -0.302 3.819 4.120 0.001 0.000 0.252 84 V C 2.585 178.675 176.094 -0.006 0.000 1.068 84 V CA 2.535 64.830 62.300 -0.009 0.000 1.070 84 V CB -1.550 30.286 31.823 0.021 0.000 0.664 84 V HN 0.599 nan 8.190 nan 0.000 0.461 85 T N 0.528 115.072 114.554 -0.018 0.000 2.652 85 T HA -0.203 4.148 4.350 0.001 0.000 0.267 85 T C 2.083 176.778 174.700 -0.007 0.000 1.039 85 T CA 1.798 63.897 62.100 -0.001 0.000 1.153 85 T CB -0.449 68.416 68.868 -0.004 0.000 0.863 85 T HN 0.603 nan 8.240 nan 0.000 0.428 86 A N 0.810 123.615 122.820 -0.025 0.000 1.930 86 A HA 0.031 4.352 4.320 0.001 0.000 0.217 86 A C 2.315 179.890 177.584 -0.015 0.000 1.175 86 A CA 1.074 53.097 52.037 -0.022 0.000 0.627 86 A CB -0.745 18.234 19.000 -0.034 0.000 0.815 86 A HN 0.521 nan 8.150 nan 0.000 0.443 87 I N -0.830 119.731 120.570 -0.014 0.000 2.179 87 I HA -0.249 3.922 4.170 0.001 0.000 0.242 87 I C 2.726 178.843 176.117 0.001 0.000 1.088 87 I CA 1.163 62.459 61.300 -0.007 0.000 1.357 87 I CB -0.299 37.698 38.000 -0.006 0.000 1.051 87 I HN 0.299 nan 8.210 nan 0.000 0.409 88 Q N 0.536 120.339 119.800 0.006 0.000 2.167 88 Q HA -0.117 4.223 4.340 0.001 0.000 0.202 88 Q C 2.395 178.403 176.000 0.012 0.000 0.970 88 Q CA 1.681 57.492 55.803 0.013 0.000 0.855 88 Q CB -0.313 28.437 28.738 0.021 0.000 0.911 88 Q HN 0.558 nan 8.270 nan 0.000 0.438 89 A N 0.713 123.539 122.820 0.009 0.000 1.933 89 A HA -0.089 4.231 4.320 0.001 0.000 0.218 89 A C 2.286 179.872 177.584 0.003 0.000 1.175 89 A CA 1.797 53.839 52.037 0.008 0.000 0.628 89 A CB -0.574 18.427 19.000 0.002 0.000 0.814 89 A HN 0.362 nan 8.150 nan 0.000 0.444 90 A N 0.365 123.185 122.820 -0.000 0.000 1.877 90 A HA -0.185 4.136 4.320 0.001 0.000 0.216 90 A C 1.871 179.455 177.584 0.001 0.000 1.186 90 A CA 1.711 53.746 52.037 -0.003 0.000 0.620 90 A CB -0.628 18.369 19.000 -0.005 0.000 0.822 90 A HN 0.525 nan 8.150 nan 0.000 0.443 91 N N -0.234 118.468 118.700 0.004 0.000 2.289 91 N HA -0.113 4.628 4.740 0.001 0.000 0.184 91 N C 1.569 177.084 175.510 0.008 0.000 1.016 91 N CA 1.257 54.310 53.050 0.006 0.000 0.872 91 N CB -0.385 38.108 38.487 0.009 0.000 0.973 91 N HN 0.393 nan 8.380 nan 0.000 0.433 92 M N 0.346 119.953 119.600 0.011 0.000 2.213 92 M HA -0.080 4.401 4.480 0.001 0.000 0.263 92 M C 1.961 178.266 176.300 0.008 0.000 1.062 92 M CA 1.328 56.637 55.300 0.015 0.000 1.105 92 M CB -1.440 31.172 32.600 0.020 0.000 1.385 92 M HN 0.256 nan 8.290 nan 0.000 0.417 93 T N -2.469 112.086 114.554 0.002 0.000 3.055 93 T HA -0.023 4.328 4.350 0.001 0.000 0.265 93 T C 1.754 176.452 174.700 -0.004 0.000 1.111 93 T CA 0.626 62.723 62.100 -0.005 0.000 1.118 93 T CB -0.178 68.685 68.868 -0.008 0.000 0.909 93 T HN 0.378 nan 8.240 nan 0.000 0.501 94 R N 0.366 120.866 120.500 -0.000 0.000 2.300 94 R HA 0.386 4.727 4.340 0.001 0.000 0.199 94 R C 1.779 178.080 176.300 0.002 0.000 0.920 94 R CA 0.414 56.514 56.100 0.000 0.000 1.046 94 R CB 0.109 30.410 30.300 0.001 0.000 0.984 94 R HN 0.507 nan 8.270 nan 0.000 0.493 95 G N 0.950 109.753 108.800 0.005 0.000 2.143 95 G HA2 -0.309 3.652 3.960 0.001 0.000 0.248 95 G HA3 -0.309 3.652 3.960 0.001 0.000 0.248 95 G C 0.773 175.678 174.900 0.010 0.000 0.991 95 G CA 0.821 45.925 45.100 0.008 0.000 0.689 95 G HN 0.456 nan 8.290 nan 0.000 0.522 96 T N -1.914 112.646 114.554 0.010 0.000 3.069 96 T HA 0.387 4.738 4.350 0.001 0.000 0.252 96 T C 1.360 176.068 174.700 0.013 0.000 1.053 96 T CA 1.214 63.321 62.100 0.010 0.000 0.964 96 T CB 0.289 69.162 68.868 0.009 0.000 1.005 96 T HN 1.246 nan 8.240 nan 0.000 0.532 97 T N -1.290 113.273 114.554 0.016 0.000 2.816 97 T HA 0.550 4.900 4.350 0.001 0.000 0.282 97 T C 1.805 176.516 174.700 0.019 0.000 0.993 97 T CA -0.061 62.051 62.100 0.019 0.000 0.994 97 T CB 0.940 69.821 68.868 0.022 0.000 1.025 97 T HN 0.095 nan 8.240 nan 0.000 0.529 98 G N -0.098 108.713 108.800 0.020 0.000 2.440 98 G HA2 -0.189 3.771 3.960 0.001 0.000 0.218 98 G HA3 -0.189 3.771 3.960 0.001 0.000 0.218 98 G C 1.555 176.467 174.900 0.019 0.000 1.154 98 G CA 1.239 46.349 45.100 0.017 0.000 0.767 98 G HN 1.022 nan 8.290 nan 0.000 0.552 99 V N -1.125 118.805 119.914 0.026 0.000 2.515 99 V HA -0.156 3.965 4.120 0.001 0.000 0.250 99 V C 2.719 178.833 176.094 0.033 0.000 1.058 99 V CA 1.519 63.838 62.300 0.033 0.000 1.064 99 V CB -1.388 30.462 31.823 0.045 0.000 0.675 99 V HN 0.373 nan 8.190 nan 0.000 0.461 100 C N 0.216 119.534 119.300 0.030 0.000 2.432 100 C HA -0.077 4.384 4.460 0.001 0.000 0.277 100 C C 2.898 177.902 174.990 0.022 0.000 1.249 100 C CA 1.224 60.258 59.018 0.027 0.000 1.725 100 C CB -0.989 26.764 27.740 0.022 0.000 2.028 100 C HN 0.495 nan 8.230 nan 0.000 0.477 101 V N 0.888 120.813 119.914 0.019 0.000 2.358 101 V HA -0.190 3.931 4.120 0.001 0.000 0.246 101 V C 2.279 178.383 176.094 0.016 0.000 1.047 101 V CA 1.774 64.083 62.300 0.015 0.000 1.035 101 V CB -0.568 31.263 31.823 0.013 0.000 0.658 101 V HN 0.555 nan 8.190 nan 0.000 0.452 102 L N -0.138 121.095 121.223 0.017 0.000 2.156 102 L HA -0.048 4.292 4.340 0.001 0.000 0.208 102 L C 2.694 179.577 176.870 0.023 0.000 1.095 102 L CA 1.240 56.091 54.840 0.017 0.000 0.770 102 L CB -0.745 41.322 42.059 0.014 0.000 0.914 102 L HN 0.344 nan 8.230 nan 0.000 0.439 103 A N 0.291 123.128 122.820 0.028 0.000 1.898 103 A HA -0.129 4.192 4.320 0.001 0.000 0.216 103 A C 2.554 180.153 177.584 0.026 0.000 1.181 103 A CA 1.601 53.658 52.037 0.033 0.000 0.620 103 A CB -0.616 18.411 19.000 0.045 0.000 0.819 103 A HN 0.368 nan 8.150 nan 0.000 0.442 104 A N -0.996 121.837 122.820 0.022 0.000 1.902 104 A HA -0.210 4.110 4.320 0.001 0.000 0.217 104 A C 2.141 179.733 177.584 0.014 0.000 1.181 104 A CA 2.131 54.177 52.037 0.016 0.000 0.623 104 A CB -0.527 18.481 19.000 0.013 0.000 0.818 104 A HN 0.510 nan 8.150 nan 0.000 0.443 105 Q N -0.216 119.592 119.800 0.014 0.000 2.124 105 Q HA -0.016 4.325 4.340 0.001 0.000 0.202 105 Q C 1.783 177.790 176.000 0.013 0.000 0.977 105 Q CA 1.948 57.759 55.803 0.013 0.000 0.850 105 Q CB -0.507 28.239 28.738 0.013 0.000 0.901 105 Q HN 0.580 nan 8.270 nan 0.000 0.429 106 A N -1.349 121.480 122.820 0.015 0.000 2.275 106 A HA 0.444 4.764 4.320 0.001 0.000 0.212 106 A C 1.307 178.897 177.584 0.009 0.000 1.201 106 A CA 0.608 52.653 52.037 0.014 0.000 0.843 106 A CB -0.499 18.512 19.000 0.019 0.000 0.873 106 A HN 0.567 nan 8.150 nan 0.000 0.492 107 G N -1.586 107.220 108.800 0.010 0.000 2.176 107 G HA2 0.115 4.075 3.960 0.001 0.000 0.252 107 G HA3 0.115 4.075 3.960 0.001 0.000 0.252 107 G C 0.266 175.170 174.900 0.006 0.000 1.024 107 G CA 0.456 45.560 45.100 0.006 0.000 0.755 107 G HN 1.573 nan 8.290 nan 0.000 0.507 108 A N -1.096 121.734 122.820 0.016 0.000 2.320 108 A HA 1.040 5.361 4.320 0.001 0.000 0.334 108 A C 0.242 177.853 177.584 0.046 0.000 1.147 108 A CA 0.660 52.711 52.037 0.024 0.000 0.820 108 A CB 1.195 20.212 19.000 0.029 0.000 1.218 108 A HN 1.706 nan 8.150 nan 0.000 0.482 109 K N 0.402 120.848 120.400 0.077 0.000 2.138 109 K HA 0.659 4.980 4.320 0.001 0.000 0.263 109 K C -0.780 175.935 176.600 0.190 0.000 0.965 109 K CA -0.537 55.814 56.287 0.107 0.000 0.868 109 K CB 1.313 33.888 32.500 0.125 0.000 1.083 109 K HN 0.903 nan 8.250 nan 0.000 0.443 110 V N 4.192 124.185 119.914 0.132 0.000 2.383 110 V HA 0.287 4.407 4.120 0.001 0.000 0.275 110 V C -0.192 175.996 176.094 0.156 0.000 1.036 110 V CA -0.719 61.679 62.300 0.164 0.000 0.889 110 V CB 0.713 32.588 31.823 0.087 0.000 0.985 110 V HN 0.896 nan 8.190 nan 0.000 0.459 111 H N 3.569 122.698 119.070 0.098 0.000 2.541 111 H HA 0.409 4.965 4.556 0.001 0.000 0.316 111 H C -0.793 174.579 175.328 0.073 0.000 1.043 111 H CA -0.628 55.489 56.048 0.115 0.000 1.232 111 H CB 1.974 31.863 29.762 0.212 0.000 1.406 111 H HN 0.423 nan 8.280 nan 0.000 0.469 112 V N 6.522 126.499 119.914 0.106 0.000 2.383 112 V HA 0.230 4.350 4.120 0.001 0.000 0.275 112 V C 0.478 176.582 176.094 0.017 0.000 1.036 112 V CA -0.349 61.984 62.300 0.055 0.000 0.889 112 V CB 0.726 32.564 31.823 0.025 0.000 0.985 112 V HN 0.588 nan 8.190 nan 0.000 0.459 113 I N 3.742 124.309 120.570 -0.004 0.000 2.389 113 I HA 0.369 4.540 4.170 0.001 0.000 0.288 113 I C -0.546 175.540 176.117 -0.053 0.000 0.999 113 I CA -0.479 60.781 61.300 -0.067 0.000 1.129 113 I CB 1.974 39.900 38.000 -0.124 0.000 1.288 113 I HN 0.504 nan 8.210 nan 0.000 0.444 114 D N 6.301 126.662 120.400 -0.065 0.000 2.347 114 D HA 0.201 4.841 4.640 0.001 0.000 0.235 114 D C 0.608 176.859 176.300 -0.081 0.000 1.149 114 D CA -0.290 53.678 54.000 -0.054 0.000 0.850 114 D CB 1.650 42.419 40.800 -0.051 0.000 1.061 114 D HN 0.372 nan 8.370 nan 0.000 0.487 115 V N 1.499 121.376 119.914 -0.063 0.000 3.578 115 V HA 0.564 4.685 4.120 0.001 0.000 0.290 115 V C 0.960 176.961 176.094 -0.154 0.000 1.376 115 V CA 0.365 62.600 62.300 -0.109 0.000 1.083 115 V CB 0.355 32.147 31.823 -0.051 0.000 0.911 115 V HN 0.628 nan 8.190 nan 0.000 0.433 116 G N 0.651 109.426 108.800 -0.040 0.000 4.445 116 G HA2 0.208 4.169 3.960 0.001 0.000 0.228 116 G HA3 0.208 4.169 3.960 0.001 0.000 0.228 116 G C -0.397 174.548 174.900 0.077 0.000 2.381 116 G CA -0.570 44.560 45.100 0.050 0.000 0.984 116 G HN 0.313 nan 8.290 nan 0.000 0.427 117 I N 0.966 121.541 120.570 0.009 0.000 2.588 117 I HA 0.137 4.307 4.170 0.001 0.000 0.283 117 I C 0.054 176.163 176.117 -0.014 0.000 1.119 117 I CA -0.176 61.121 61.300 -0.006 0.000 1.419 117 I CB 1.170 39.160 38.000 -0.017 0.000 1.394 117 I HN 0.034 nan 8.210 nan 0.000 0.562 118 D N 6.478 126.861 120.400 -0.028 0.000 2.619 118 D HA 0.541 5.182 4.640 0.001 0.000 0.224 118 D C -0.456 175.814 176.300 -0.050 0.000 1.133 118 D CA 0.180 54.158 54.000 -0.037 0.000 1.017 118 D CB 0.033 40.799 40.800 -0.056 0.000 1.077 118 D HN 0.641 nan 8.370 nan 0.000 0.503 119 A N 2.079 124.876 122.820 -0.039 0.000 2.515 119 A HA 0.396 4.716 4.320 0.001 0.000 0.292 119 A C -0.506 177.059 177.584 -0.032 0.000 1.065 119 A CA -0.851 51.162 52.037 -0.040 0.000 0.641 119 A CB 0.655 19.630 19.000 -0.043 0.000 1.306 119 A HN 0.235 nan 8.150 nan 0.000 0.441 120 E N 0.647 120.830 120.200 -0.029 0.000 2.408 120 E HA 0.332 4.683 4.350 0.001 0.000 0.259 120 E C -2.180 174.404 176.600 -0.027 0.000 1.110 120 E CA -1.222 55.163 56.400 -0.026 0.000 0.929 120 E CB 0.014 29.700 29.700 -0.023 0.000 0.971 120 E HN 0.343 nan 8.360 nan 0.000 0.438 121 P HA -0.009 nan 4.420 nan 0.000 0.267 121 P C -0.758 176.527 177.300 -0.024 0.000 1.200 121 P CA 0.596 63.679 63.100 -0.028 0.000 0.772 121 P CB 0.368 32.051 31.700 -0.028 0.000 0.855 122 I N 4.432 124.988 120.570 -0.024 0.000 2.339 122 I HA 0.288 4.458 4.170 0.001 0.000 0.290 122 I C -2.103 174.003 176.117 -0.018 0.000 0.994 122 I CA -2.571 58.718 61.300 -0.019 0.000 1.191 122 I CB 1.445 39.434 38.000 -0.018 0.000 1.343 122 I HN 0.161 nan 8.210 nan 0.000 0.458 123 P HA 0.130 nan 4.420 nan 0.000 0.266 123 P C 0.872 178.164 177.300 -0.014 0.000 1.195 123 P CA 0.548 63.640 63.100 -0.014 0.000 0.768 123 P CB 0.722 32.415 31.700 -0.012 0.000 0.838 124 G N 0.819 109.611 108.800 -0.013 0.000 2.241 124 G HA2 -0.209 3.752 3.960 0.001 0.000 0.244 124 G HA3 -0.209 3.752 3.960 0.001 0.000 0.244 124 G C 0.052 174.942 174.900 -0.016 0.000 0.998 124 G CA -0.073 45.018 45.100 -0.014 0.000 0.621 124 G HN 0.546 nan 8.290 nan 0.000 0.519 125 V N 1.870 121.774 119.914 -0.017 0.000 2.481 125 V HA 0.537 4.658 4.120 0.001 0.000 0.286 125 V C 1.140 177.217 176.094 -0.029 0.000 1.042 125 V CA -0.705 61.583 62.300 -0.020 0.000 0.928 125 V CB 1.827 33.637 31.823 -0.021 0.000 0.986 125 V HN 0.309 nan 8.190 nan 0.000 0.462 126 V N 4.488 124.379 119.914 -0.037 0.000 2.529 126 V HA 0.055 4.176 4.120 0.001 0.000 0.292 126 V C 0.604 176.644 176.094 -0.090 0.000 1.028 126 V CA -0.024 62.236 62.300 -0.067 0.000 1.074 126 V CB 0.504 32.248 31.823 -0.133 0.000 0.958 126 V HN 0.880 nan 8.190 nan 0.000 0.481 127 N N 5.801 124.454 118.700 -0.077 0.000 2.420 127 N HA 0.414 5.155 4.740 0.001 0.000 0.249 127 N C -0.200 175.247 175.510 -0.104 0.000 1.033 127 N CA -0.154 52.847 53.050 -0.081 0.000 0.944 127 N CB 1.004 39.455 38.487 -0.059 0.000 1.113 127 N HN 0.692 nan 8.380 nan 0.000 0.502 128 M N 2.934 122.460 119.600 -0.125 0.000 3.039 128 M HA 0.148 4.629 4.480 0.001 0.000 0.442 128 M C -0.273 175.926 176.300 -0.167 0.000 1.408 128 M CA -0.456 54.759 55.300 -0.141 0.000 0.804 128 M CB 0.651 33.152 32.600 -0.164 0.000 1.471 128 M HN 0.281 nan 8.290 nan 0.000 0.516 129 R N -0.374 120.030 120.500 -0.159 0.000 2.522 129 R HA 0.222 4.563 4.340 0.001 0.000 0.284 129 R C 0.563 176.688 176.300 -0.291 0.000 1.032 129 R CA -0.337 55.637 56.100 -0.211 0.000 1.049 129 R CB 0.584 30.797 30.300 -0.145 0.000 0.956 129 R HN -0.009 nan 8.270 nan 0.000 0.422 130 V N 1.494 121.091 119.914 -0.527 0.000 2.500 130 V HA 0.128 4.249 4.120 0.001 0.000 0.243 130 V C 0.948 176.790 176.094 -0.420 0.000 1.039 130 V CA 1.829 63.763 62.300 -0.610 0.000 1.053 130 V CB -0.335 30.782 31.823 -1.177 0.000 0.695 130 V HN 0.998 nan 8.190 nan 0.000 0.463 131 A N -1.097 121.494 122.820 -0.381 0.000 2.564 131 A HA 0.584 4.905 4.320 0.001 0.000 0.291 131 A C -0.614 176.992 177.584 0.036 0.000 1.102 131 A CA -0.743 51.254 52.037 -0.067 0.000 0.660 131 A CB 0.771 19.826 19.000 0.091 0.000 1.283 131 A HN 0.077 nan 8.150 nan 0.000 0.430 132 R N 0.796 121.327 120.500 0.052 0.000 2.893 132 R HA 0.431 4.772 4.340 0.001 0.000 0.243 132 R C 0.466 176.812 176.300 0.078 0.000 1.481 132 R CA 1.122 57.248 56.100 0.043 0.000 1.250 132 R CB -0.351 29.955 30.300 0.009 0.000 1.213 132 R HN 1.888 nan 8.270 nan 0.000 0.609 133 G N 1.080 109.965 108.800 0.141 0.000 2.721 133 G HA2 -0.238 3.723 3.960 0.001 0.000 0.686 133 G HA3 -0.238 3.723 3.960 0.001 0.000 0.686 133 G C 0.109 175.042 174.900 0.055 0.000 1.236 133 G CA -0.612 44.523 45.100 0.058 0.000 0.786 133 G HN 0.707 nan 8.290 nan 0.000 0.616 134 C N 1.196 120.303 119.300 -0.321 0.000 2.396 134 C HA 0.981 5.441 4.460 0.001 0.000 0.359 134 C C 1.573 176.444 174.990 -0.199 0.000 1.307 134 C CA 0.077 58.772 59.018 -0.539 0.000 2.392 134 C CB 0.805 27.887 27.740 -1.096 0.000 2.245 134 C HN 2.251 nan 8.230 nan 0.000 0.615 135 G N 0.909 109.623 108.800 -0.142 0.000 2.594 135 G HA2 0.254 4.215 3.960 0.001 0.000 0.243 135 G HA3 0.254 4.215 3.960 0.001 0.000 0.243 135 G C 0.004 174.881 174.900 -0.038 0.000 1.229 135 G CA -0.230 44.839 45.100 -0.053 0.000 0.843 135 G HN 0.995 nan 8.290 nan 0.000 0.578 136 N N 1.083 119.782 118.700 -0.001 0.000 2.416 136 N HA -0.036 4.705 4.740 0.001 0.000 0.271 136 N C 1.856 177.366 175.510 0.000 0.000 1.245 136 N CA -0.484 52.576 53.050 0.017 0.000 0.940 136 N CB 0.240 38.744 38.487 0.029 0.000 1.175 136 N HN 0.485 nan 8.380 nan 0.000 0.483 137 I N 1.150 121.718 120.570 -0.004 0.000 2.700 137 I HA -0.116 4.055 4.170 0.001 0.000 0.261 137 I C 1.505 177.613 176.117 -0.015 0.000 1.219 137 I CA 0.944 62.234 61.300 -0.016 0.000 1.463 137 I CB -0.264 37.724 38.000 -0.020 0.000 1.092 137 I HN 0.365 nan 8.210 nan 0.000 0.452 138 A N 1.595 124.409 122.820 -0.010 0.000 2.067 138 A HA 0.013 4.334 4.320 0.001 0.000 0.219 138 A C 2.159 179.736 177.584 -0.011 0.000 1.158 138 A CA 1.736 53.765 52.037 -0.013 0.000 0.661 138 A CB -0.503 18.489 19.000 -0.012 0.000 0.801 138 A HN 0.599 nan 8.150 nan 0.000 0.452 139 V N -5.617 114.292 119.914 -0.008 0.000 3.432 139 V HA 0.661 4.782 4.120 0.001 0.000 0.298 139 V C 0.575 176.665 176.094 -0.007 0.000 1.464 139 V CA 0.517 62.813 62.300 -0.006 0.000 1.046 139 V CB -0.307 31.515 31.823 -0.001 0.000 0.887 139 V HN 0.907 nan 8.190 nan 0.000 0.441 140 G N 0.592 109.385 108.800 -0.010 0.000 2.341 140 G HA2 0.472 4.433 3.960 0.001 0.000 0.299 140 G HA3 0.472 4.433 3.960 0.001 0.000 0.299 140 G C -3.535 171.354 174.900 -0.017 0.000 1.274 140 G CA -0.226 44.867 45.100 -0.011 0.000 0.853 140 G HN 0.098 nan 8.290 nan 0.000 0.493 141 P HA 0.415 nan 4.420 nan 0.000 0.279 141 P C 0.664 177.943 177.300 -0.035 0.000 1.252 141 P CA 0.568 63.654 63.100 -0.023 0.000 0.811 141 P CB 1.961 33.654 31.700 -0.013 0.000 1.035 142 A N 3.190 125.975 122.820 -0.058 0.000 1.968 142 A HA 0.071 4.392 4.320 0.001 0.000 0.217 142 A C 1.335 178.845 177.584 -0.123 0.000 1.169 142 A CA 1.536 53.499 52.037 -0.123 0.000 0.638 142 A CB -0.688 18.216 19.000 -0.159 0.000 0.812 142 A HN 0.772 nan 8.150 nan 0.000 0.446 143 M N -3.329 116.254 119.600 -0.028 0.000 3.147 143 M HA 0.445 4.925 4.480 0.001 0.000 0.276 143 M C -0.643 175.691 176.300 0.057 0.000 1.211 143 M CA -0.352 54.987 55.300 0.064 0.000 0.820 143 M CB 1.282 33.997 32.600 0.191 0.000 1.621 143 M HN 0.135 nan 8.290 nan 0.000 0.507 144 S N 0.070 115.814 115.700 0.073 0.000 2.632 144 S HA 0.432 4.903 4.470 0.001 0.000 0.271 144 S C 0.656 175.285 174.600 0.048 0.000 1.260 144 S CA -0.486 57.742 58.200 0.047 0.000 1.010 144 S CB 1.950 65.173 63.200 0.039 0.000 0.965 144 S HN 0.932 nan 8.310 nan 0.000 0.534 145 R N -0.037 120.483 120.500 0.032 0.000 2.096 145 R HA -0.062 4.279 4.340 0.001 0.000 0.235 145 R C 1.606 177.924 176.300 0.030 0.000 1.127 145 R CA 1.144 57.262 56.100 0.030 0.000 0.968 145 R CB -0.495 29.818 30.300 0.021 0.000 0.861 145 R HN 0.695 nan 8.270 nan 0.000 0.440 146 L N 0.850 122.088 121.223 0.024 0.000 2.042 146 L HA -0.193 4.148 4.340 0.001 0.000 0.210 146 L C 2.306 179.186 176.870 0.018 0.000 1.076 146 L CA 1.773 56.623 54.840 0.017 0.000 0.749 146 L CB -1.458 40.608 42.059 0.011 0.000 0.893 146 L HN 0.316 nan 8.230 nan 0.000 0.432 147 Q N -0.656 119.163 119.800 0.032 0.000 2.119 147 Q HA -0.099 4.242 4.340 0.001 0.000 0.201 147 Q C 2.383 178.410 176.000 0.045 0.000 0.972 147 Q CA 1.490 57.312 55.803 0.031 0.000 0.847 147 Q CB -0.107 28.674 28.738 0.073 0.000 0.903 147 Q HN 0.546 nan 8.270 nan 0.000 0.433 148 A N 1.375 124.236 122.820 0.069 0.000 1.873 148 A HA -0.211 4.109 4.320 0.001 0.000 0.215 148 A C 1.831 179.438 177.584 0.038 0.000 1.186 148 A CA 1.354 53.434 52.037 0.072 0.000 0.616 148 A CB -0.381 18.662 19.000 0.071 0.000 0.823 148 A HN 0.298 nan 8.150 nan 0.000 0.442 149 E N -0.150 120.066 120.200 0.026 0.000 2.110 149 E HA -0.142 4.208 4.350 0.001 0.000 0.193 149 E C 2.283 178.884 176.600 0.002 0.000 0.988 149 E CA 0.946 57.354 56.400 0.014 0.000 0.804 149 E CB -0.294 29.413 29.700 0.011 0.000 0.745 149 E HN 0.617 nan 8.360 nan 0.000 0.458 150 A N 1.224 124.041 122.820 -0.004 0.000 1.902 150 A HA -0.161 4.159 4.320 0.001 0.000 0.217 150 A C 2.161 179.728 177.584 -0.027 0.000 1.181 150 A CA 0.992 53.018 52.037 -0.018 0.000 0.623 150 A CB -0.472 18.512 19.000 -0.027 0.000 0.818 150 A HN 0.207 nan 8.150 nan 0.000 0.443 151 L N -0.222 120.984 121.223 -0.029 0.000 2.056 151 L HA -0.058 4.283 4.340 0.001 0.000 0.207 151 L C 2.283 179.140 176.870 -0.022 0.000 1.078 151 L CA 1.456 56.272 54.840 -0.040 0.000 0.749 151 L CB -0.492 41.544 42.059 -0.037 0.000 0.901 151 L HN 0.405 nan 8.230 nan 0.000 0.433 152 L N -1.430 119.789 121.223 -0.006 0.000 2.012 152 L HA -0.264 4.077 4.340 0.001 0.000 0.210 152 L C 2.497 179.357 176.870 -0.017 0.000 1.073 152 L CA 0.982 55.817 54.840 -0.008 0.000 0.748 152 L CB -0.687 41.372 42.059 -0.000 0.000 0.891 152 L HN 0.328 nan 8.230 nan 0.000 0.431 153 L N 0.175 121.389 121.223 -0.015 0.000 1.994 153 L HA -0.250 4.090 4.340 0.001 0.000 0.208 153 L C 2.495 179.358 176.870 -0.012 0.000 1.071 153 L CA 1.995 56.826 54.840 -0.015 0.000 0.745 153 L CB -0.807 41.244 42.059 -0.013 0.000 0.892 153 L HN 0.397 nan 8.230 nan 0.000 0.431 154 E N -0.929 119.262 120.200 -0.015 0.000 2.051 154 E HA -0.187 4.164 4.350 0.001 0.000 0.192 154 E C 2.150 178.756 176.600 0.010 0.000 0.991 154 E CA 1.599 57.995 56.400 -0.007 0.000 0.799 154 E CB 0.150 29.831 29.700 -0.031 0.000 0.748 154 E HN 0.314 nan 8.360 nan 0.000 0.449 155 V N 0.402 120.308 119.914 -0.013 0.000 2.358 155 V HA -0.219 3.901 4.120 0.001 0.000 0.246 155 V C 2.382 178.486 176.094 0.016 0.000 1.047 155 V CA 1.791 64.089 62.300 -0.002 0.000 1.035 155 V CB -0.434 31.370 31.823 -0.031 0.000 0.658 155 V HN 0.241 nan 8.190 nan 0.000 0.452 156 S N -0.278 115.410 115.700 -0.020 0.000 2.383 156 S HA -0.245 4.225 4.470 0.001 0.000 0.229 156 S C 2.440 177.015 174.600 -0.042 0.000 1.030 156 S CA 2.056 60.224 58.200 -0.053 0.000 1.002 156 S CB -0.425 62.743 63.200 -0.053 0.000 0.829 156 S HN 0.737 nan 8.310 nan 0.000 0.467 157 R N 0.308 120.807 120.500 -0.002 0.000 2.062 157 R HA -0.007 4.334 4.340 0.001 0.000 0.229 157 R C 1.968 178.286 176.300 0.031 0.000 1.128 157 R CA 1.817 57.921 56.100 0.006 0.000 0.960 157 R CB -1.827 28.485 30.300 0.019 0.000 0.855 157 R HN 0.627 nan 8.270 nan 0.000 0.432 158 Y N 2.038 122.307 120.300 -0.052 0.000 2.165 158 Y HA -0.220 4.331 4.550 0.001 0.000 0.286 158 Y C 2.553 178.420 175.900 -0.056 0.000 1.155 158 Y CA 2.539 60.617 58.100 -0.036 0.000 1.164 158 Y CB -0.307 38.137 38.460 -0.027 0.000 0.978 158 Y HN 0.320 nan 8.280 nan 0.000 0.513 159 T N -1.030 113.526 114.554 0.002 0.000 2.674 159 T HA -0.276 4.074 4.350 0.001 0.000 0.265 159 T C 2.013 176.584 174.700 -0.216 0.000 1.039 159 T CA 1.622 63.596 62.100 -0.209 0.000 1.150 159 T CB -1.165 67.487 68.868 -0.360 0.000 0.864 159 T HN 0.571 nan 8.240 nan 0.000 0.427 160 c N 2.009 120.515 118.600 -0.158 0.000 2.432 160 c HA 0.016 4.586 4.570 0.001 0.000 0.282 160 c C 2.898 176.959 174.090 -0.048 0.000 1.388 160 c CA 1.001 57.279 56.329 -0.086 0.000 1.777 160 c CB -1.578 40.880 42.510 -0.087 0.000 1.882 160 c HN 0.757 nan 8.230 nan 0.000 0.520 161 D N 0.012 120.358 120.400 -0.090 0.000 2.144 161 D HA -0.091 4.549 4.640 0.001 0.000 0.199 161 D C 1.929 178.167 176.300 -0.104 0.000 0.984 161 D CA 1.439 55.380 54.000 -0.099 0.000 0.834 161 D CB -0.549 40.170 40.800 -0.134 0.000 0.955 161 D HN 0.592 nan 8.370 nan 0.000 0.465 162 L N -0.083 121.059 121.223 -0.135 0.000 2.131 162 L HA -0.038 4.302 4.340 0.001 0.000 0.210 162 L C 3.332 180.207 176.870 0.009 0.000 1.092 162 L CA 1.017 55.810 54.840 -0.078 0.000 0.759 162 L CB -0.335 41.701 42.059 -0.038 0.000 0.903 162 L HN 0.371 nan 8.230 nan 0.000 0.435 163 A N -0.426 122.449 122.820 0.092 0.000 1.978 163 A HA -0.259 4.061 4.320 0.001 0.000 0.220 163 A C 2.174 179.761 177.584 0.004 0.000 1.170 163 A CA 1.529 53.610 52.037 0.073 0.000 0.636 163 A CB -0.410 18.654 19.000 0.106 0.000 0.810 163 A HN 0.507 nan 8.150 nan 0.000 0.448 164 Q N -1.556 118.238 119.800 -0.009 0.000 2.436 164 Q HA -0.069 4.272 4.340 0.001 0.000 0.209 164 Q C 2.090 178.076 176.000 -0.024 0.000 0.965 164 Q CA 1.036 56.828 55.803 -0.018 0.000 0.910 164 Q CB -0.204 28.521 28.738 -0.022 0.000 0.980 164 Q HN 0.720 nan 8.270 nan 0.000 0.491 165 R N 0.210 120.692 120.500 -0.030 0.000 2.334 165 R HA 0.246 4.587 4.340 0.001 0.000 0.220 165 R C 1.318 177.597 176.300 -0.035 0.000 0.917 165 R CA 0.855 56.938 56.100 -0.028 0.000 1.073 165 R CB -0.399 29.887 30.300 -0.025 0.000 1.056 165 R HN 0.414 nan 8.270 nan 0.000 0.506 166 G N -1.196 107.578 108.800 -0.044 0.000 2.176 166 G HA2 -0.192 3.769 3.960 0.001 0.000 0.232 166 G HA3 -0.192 3.769 3.960 0.001 0.000 0.232 166 G C 0.259 175.102 174.900 -0.095 0.000 0.986 166 G CA 0.033 45.099 45.100 -0.055 0.000 0.643 166 G HN 0.659 nan 8.290 nan 0.000 0.522 167 V N 2.056 121.890 119.914 -0.134 0.000 2.521 167 V HA 0.479 4.600 4.120 0.001 0.000 0.286 167 V C 1.579 177.485 176.094 -0.314 0.000 1.034 167 V CA 1.369 63.503 62.300 -0.276 0.000 1.045 167 V CB 1.198 32.769 31.823 -0.419 0.000 0.974 167 V HN 0.780 nan 8.190 nan 0.000 0.480 168 T N 1.606 115.970 114.554 -0.317 0.000 3.004 168 T HA 0.347 4.698 4.350 0.001 0.000 0.266 168 T C -0.225 174.333 174.700 -0.236 0.000 0.986 168 T CA -0.090 61.885 62.100 -0.209 0.000 0.902 168 T CB 0.272 69.079 68.868 -0.101 0.000 1.118 168 T HN 0.305 nan 8.240 nan 0.000 0.522 169 L N 1.262 122.247 121.223 -0.398 0.000 2.439 169 L HA 0.754 5.094 4.340 0.001 0.000 0.270 169 L C -1.954 174.684 176.870 -0.387 0.000 0.972 169 L CA -1.340 53.351 54.840 -0.247 0.000 0.836 169 L CB 1.339 43.334 42.059 -0.105 0.000 1.255 169 L HN 0.103 nan 8.230 nan 0.000 0.404 170 F N 2.447 122.407 119.950 0.016 0.000 2.483 170 F HA 0.885 5.413 4.527 0.001 0.000 0.329 170 F C 0.982 176.804 175.800 0.037 0.000 1.064 170 F CA -0.379 57.628 58.000 0.012 0.000 0.986 170 F CB 2.250 41.249 39.000 -0.002 0.000 1.218 170 F HN 0.578 nan 8.300 nan 0.000 0.484 171 G N 0.264 109.212 108.800 0.247 0.000 2.591 171 G HA2 0.598 4.559 3.960 0.001 0.000 0.306 171 G HA3 0.598 4.559 3.960 0.001 0.000 0.306 171 G C -1.707 173.288 174.900 0.158 0.000 1.334 171 G CA -0.891 44.311 45.100 0.170 0.000 0.981 171 G HN 0.685 nan 8.290 nan 0.000 0.491 172 V N -0.005 119.983 119.914 0.123 0.000 2.667 172 V HA 1.046 5.167 4.120 0.001 0.000 0.308 172 V C 0.389 176.531 176.094 0.080 0.000 1.048 172 V CA -0.148 62.207 62.300 0.091 0.000 0.928 172 V CB 1.304 33.165 31.823 0.063 0.000 1.004 172 V HN 1.356 nan 8.190 nan 0.000 0.444 173 G N 2.834 111.676 108.800 0.070 0.000 2.682 173 G HA2 0.803 4.764 3.960 0.001 0.000 0.290 173 G HA3 0.803 4.764 3.960 0.001 0.000 0.290 173 G C -1.496 173.436 174.900 0.054 0.000 1.425 173 G CA -0.329 44.808 45.100 0.062 0.000 0.807 173 G HN 1.214 nan 8.290 nan 0.000 0.482 174 E N -1.465 118.766 120.200 0.053 0.000 2.449 174 E HA 0.799 5.150 4.350 0.001 0.000 0.278 174 E C -1.789 174.849 176.600 0.062 0.000 0.992 174 E CA -1.107 55.328 56.400 0.058 0.000 0.807 174 E CB 2.226 31.961 29.700 0.058 0.000 1.350 174 E HN 0.825 nan 8.360 nan 0.000 0.462 175 L N 0.025 121.292 121.223 0.074 0.000 2.639 175 L HA 0.793 5.134 4.340 0.001 0.000 0.264 175 L C -1.228 175.703 176.870 0.101 0.000 0.948 175 L CA 0.533 55.416 54.840 0.073 0.000 0.912 175 L CB 1.919 44.011 42.059 0.055 0.000 1.294 175 L HN 0.935 nan 8.230 nan 0.000 0.412 176 G N 5.288 114.161 108.800 0.120 0.000 2.378 176 G HA2 0.404 4.365 3.960 0.001 0.000 0.306 176 G HA3 0.404 4.365 3.960 0.001 0.000 0.306 176 G C -1.091 173.910 174.900 0.169 0.000 1.413 176 G CA -0.848 44.364 45.100 0.186 0.000 1.123 176 G HN 0.240 nan 8.290 nan 0.000 0.587 177 M N 1.690 121.385 119.600 0.158 0.000 2.251 177 M HA 0.382 4.862 4.480 0.001 0.000 0.343 177 M C 1.405 177.846 176.300 0.234 0.000 1.245 177 M CA 1.070 56.483 55.300 0.188 0.000 1.061 177 M CB 0.249 32.961 32.600 0.187 0.000 1.723 177 M HN 1.948 nan 8.290 nan 0.000 0.449 178 A N 3.282 126.198 122.820 0.161 0.000 3.383 178 A HA -0.238 4.082 4.320 0.001 0.000 0.264 178 A C 1.075 178.542 177.584 -0.195 0.000 1.154 178 A CA 1.201 53.265 52.037 0.046 0.000 1.179 178 A CB -2.441 16.665 19.000 0.177 0.000 1.133 178 A HN 0.925 nan 8.150 nan 0.000 0.933 179 N N 0.789 119.323 118.700 -0.276 0.000 2.550 179 N HA -0.058 4.682 4.740 0.001 0.000 0.186 179 N C 1.118 176.529 175.510 -0.164 0.000 1.110 179 N CA 2.040 54.826 53.050 -0.439 0.000 0.912 179 N CB -1.376 36.941 38.487 -0.284 0.000 0.968 179 N HN 1.063 nan 8.380 nan 0.000 0.448 180 T N -5.227 109.298 114.554 -0.050 0.000 3.085 180 T HA 0.045 4.395 4.350 0.001 0.000 0.263 180 T C 1.504 176.240 174.700 0.060 0.000 1.127 180 T CA 0.866 63.005 62.100 0.066 0.000 1.103 180 T CB -0.562 68.359 68.868 0.089 0.000 0.921 180 T HN 0.072 nan 8.240 nan 0.000 0.510 181 T N 2.912 117.449 114.554 -0.028 0.000 2.735 181 T HA 0.049 4.400 4.350 0.001 0.000 0.256 181 T C -0.477 174.210 174.700 -0.021 0.000 1.042 181 T CA 1.106 63.193 62.100 -0.022 0.000 1.147 181 T CB -1.023 67.816 68.868 -0.049 0.000 0.865 181 T HN 0.391 nan 8.240 nan 0.000 0.421 182 P HA 0.006 nan 4.420 nan 0.000 0.218 182 P C 1.356 178.633 177.300 -0.039 0.000 1.149 182 P CA 1.176 64.248 63.100 -0.047 0.000 0.817 182 P CB -0.176 31.499 31.700 -0.042 0.000 0.785 183 A N 0.786 123.580 122.820 -0.044 0.000 1.908 183 A HA -0.103 4.217 4.320 0.001 0.000 0.218 183 A C 2.506 180.056 177.584 -0.056 0.000 1.181 183 A CA 2.330 54.300 52.037 -0.112 0.000 0.627 183 A CB -1.530 17.377 19.000 -0.156 0.000 0.818 183 A HN 0.241 nan 8.150 nan 0.000 0.445 184 A N -0.251 122.665 122.820 0.161 0.000 1.898 184 A HA 0.208 4.528 4.320 0.001 0.000 0.216 184 A C 2.517 180.152 177.584 0.084 0.000 1.181 184 A CA 1.976 54.160 52.037 0.246 0.000 0.620 184 A CB -1.045 18.082 19.000 0.211 0.000 0.819 184 A HN 1.061 nan 8.150 nan 0.000 0.442 185 A N -0.440 122.391 122.820 0.019 0.000 1.883 185 A HA -0.200 4.120 4.320 0.001 0.000 0.217 185 A C 2.291 179.829 177.584 -0.077 0.000 1.186 185 A CA 2.022 54.040 52.037 -0.031 0.000 0.624 185 A CB -0.586 18.386 19.000 -0.046 0.000 0.822 185 A HN 0.529 nan 8.150 nan 0.000 0.444 186 M N -0.926 118.624 119.600 -0.084 0.000 2.080 186 M HA -0.152 4.328 4.480 0.001 0.000 0.260 186 M C 2.156 178.421 176.300 -0.059 0.000 1.068 186 M CA 1.603 56.822 55.300 -0.135 0.000 1.109 186 M CB -0.415 32.172 32.600 -0.022 0.000 1.342 186 M HN 0.273 nan 8.290 nan 0.000 0.405 187 V N -0.648 119.273 119.914 0.011 0.000 2.332 187 V HA -0.284 3.836 4.120 0.001 0.000 0.248 187 V C 2.459 178.568 176.094 0.024 0.000 1.055 187 V CA 2.160 64.496 62.300 0.060 0.000 1.038 187 V CB -0.740 31.133 31.823 0.084 0.000 0.651 187 V HN 0.555 nan 8.190 nan 0.000 0.450 188 S N -0.424 115.279 115.700 0.006 0.000 2.359 188 S HA -0.180 4.291 4.470 0.001 0.000 0.224 188 S C 1.982 176.542 174.600 -0.067 0.000 1.035 188 S CA 2.049 60.237 58.200 -0.020 0.000 1.018 188 S CB -0.216 62.976 63.200 -0.014 0.000 0.876 188 S HN 0.332 nan 8.310 nan 0.000 0.448 189 V N 0.990 120.822 119.914 -0.136 0.000 2.295 189 V HA -0.086 4.035 4.120 0.001 0.000 0.246 189 V C 2.197 178.182 176.094 -0.181 0.000 1.049 189 V CA 1.921 64.094 62.300 -0.212 0.000 1.024 189 V CB -0.934 30.665 31.823 -0.374 0.000 0.648 189 V HN 0.483 nan 8.190 nan 0.000 0.447 190 F N 1.230 121.134 119.950 -0.075 0.000 2.186 190 F HA -0.124 4.403 4.527 0.001 0.000 0.299 190 F C 2.643 178.353 175.800 -0.149 0.000 1.090 190 F CA 1.737 59.684 58.000 -0.088 0.000 1.307 190 F CB -1.149 37.799 39.000 -0.087 0.000 1.019 190 F HN 0.341 nan 8.300 nan 0.000 0.489 191 T N -3.921 110.588 114.554 -0.074 0.000 3.044 191 T HA 0.363 4.714 4.350 0.001 0.000 0.250 191 T C 1.741 176.361 174.700 -0.134 0.000 1.081 191 T CA 0.531 62.397 62.100 -0.390 0.000 1.040 191 T CB -0.026 68.392 68.868 -0.750 0.000 0.962 191 T HN 0.419 nan 8.240 nan 0.000 0.506 192 G N 1.145 109.913 108.800 -0.053 0.000 2.153 192 G HA2 -0.244 3.717 3.960 0.001 0.000 0.252 192 G HA3 -0.244 3.717 3.960 0.001 0.000 0.252 192 G C 0.094 174.993 174.900 -0.002 0.000 0.994 192 G CA 0.196 45.290 45.100 -0.011 0.000 0.698 192 G HN 0.743 nan 8.290 nan 0.000 0.521 193 S N -0.336 115.354 115.700 -0.016 0.000 2.610 193 S HA 0.497 4.967 4.470 0.001 0.000 0.273 193 S C 0.138 174.742 174.600 0.007 0.000 1.274 193 S CA -0.252 57.954 58.200 0.009 0.000 1.023 193 S CB 1.685 64.896 63.200 0.018 0.000 0.962 193 S HN 0.490 nan 8.310 nan 0.000 0.523 194 D N 0.648 121.055 120.400 0.012 0.000 2.372 194 D HA 0.389 5.030 4.640 0.001 0.000 0.243 194 D C 1.055 177.360 176.300 0.009 0.000 1.121 194 D CA 0.127 54.131 54.000 0.006 0.000 0.898 194 D CB 0.790 41.594 40.800 0.007 0.000 1.202 194 D HN 0.440 nan 8.370 nan 0.000 0.428 195 A N 3.486 126.308 122.820 0.003 0.000 1.917 195 A HA -0.191 4.129 4.320 0.001 0.000 0.219 195 A C 2.227 179.814 177.584 0.005 0.000 1.182 195 A CA 2.699 54.739 52.037 0.006 0.000 0.633 195 A CB -1.367 17.631 19.000 -0.003 0.000 0.819 195 A HN 0.692 nan 8.150 nan 0.000 0.448 196 K N 0.190 120.590 120.400 -0.001 0.000 2.103 196 K HA -0.188 4.133 4.320 0.001 0.000 0.207 196 K C 1.652 178.249 176.600 -0.005 0.000 1.048 196 K CA 1.901 58.184 56.287 -0.006 0.000 0.930 196 K CB -0.907 31.589 32.500 -0.006 0.000 0.716 196 K HN 0.797 nan 8.250 nan 0.000 0.444 197 E N -0.369 119.834 120.200 0.005 0.000 2.427 197 E HA 0.010 4.361 4.350 0.001 0.000 0.196 197 E C 1.205 177.810 176.600 0.008 0.000 1.028 197 E CA 0.878 57.284 56.400 0.010 0.000 0.864 197 E CB 0.352 30.067 29.700 0.024 0.000 0.813 197 E HN 0.340 nan 8.360 nan 0.000 0.514 198 V N 0.471 120.393 119.914 0.014 0.000 3.502 198 V HA 0.049 4.169 4.120 0.001 0.000 0.288 198 V C 0.301 176.374 176.094 -0.035 0.000 1.461 198 V CA 0.034 62.349 62.300 0.026 0.000 1.029 198 V CB 1.400 33.304 31.823 0.135 0.000 0.843 198 V HN -0.077 nan 8.190 nan 0.000 0.438 199 V N 2.024 121.918 119.914 -0.033 0.000 2.408 199 V HA 0.649 4.769 4.120 0.001 0.000 0.267 199 V C 0.932 176.965 176.094 -0.100 0.000 1.047 199 V CA 0.338 62.609 62.300 -0.047 0.000 0.937 199 V CB 0.618 32.428 31.823 -0.023 0.000 0.999 199 V HN 0.371 nan 8.190 nan 0.000 0.472 200 G N 2.747 111.456 108.800 -0.153 0.000 2.642 200 G HA2 0.567 4.528 3.960 0.001 0.000 0.291 200 G HA3 0.567 4.528 3.960 0.001 0.000 0.291 200 G C 0.749 175.596 174.900 -0.089 0.000 1.345 200 G CA 0.026 45.034 45.100 -0.152 0.000 1.043 200 G HN 0.777 nan 8.290 nan 0.000 0.528 201 I N -0.575 119.952 120.570 -0.073 0.000 3.564 201 I HA 0.458 4.628 4.170 0.001 0.000 0.294 201 I C 2.035 178.133 176.117 -0.032 0.000 1.289 201 I CA 1.116 62.389 61.300 -0.045 0.000 1.325 201 I CB -1.517 36.462 38.000 -0.034 0.000 1.039 201 I HN 1.696 nan 8.210 nan 0.000 0.474 202 G N 0.661 109.440 108.800 -0.035 0.000 2.652 202 G HA2 0.010 3.970 3.960 0.001 0.000 0.318 202 G HA3 0.010 3.970 3.960 0.001 0.000 0.318 202 G C 0.951 175.854 174.900 0.005 0.000 1.295 202 G CA 0.783 45.879 45.100 -0.008 0.000 0.999 202 G HN 2.262 nan 8.290 nan 0.000 0.548 203 A N 0.559 123.390 122.820 0.018 0.000 2.990 203 A HA 0.505 4.825 4.320 0.001 0.000 0.282 203 A C 0.995 178.589 177.584 0.018 0.000 1.688 203 A CA 0.921 52.974 52.037 0.026 0.000 1.391 203 A CB -1.032 17.994 19.000 0.043 0.000 1.112 203 A HN 1.545 nan 8.150 nan 0.000 0.588 204 N N -0.580 118.126 118.700 0.009 0.000 2.696 204 N HA -0.162 4.579 4.740 0.001 0.000 0.256 204 N C -0.527 174.981 175.510 -0.003 0.000 1.031 204 N CA 0.740 53.792 53.050 0.004 0.000 0.730 204 N CB -1.198 37.295 38.487 0.010 0.000 0.894 204 N HN 0.622 nan 8.380 nan 0.000 0.544 205 L N 0.908 122.123 121.223 -0.013 0.000 2.367 205 L HA 0.407 4.748 4.340 0.001 0.000 0.275 205 L C -1.660 175.196 176.870 -0.024 0.000 1.129 205 L CA -1.135 53.691 54.840 -0.024 0.000 0.839 205 L CB 0.350 42.388 42.059 -0.035 0.000 1.133 205 L HN 0.026 nan 8.230 nan 0.000 0.453 206 P HA 0.151 nan 4.420 nan 0.000 0.267 206 P C -2.172 175.113 177.300 -0.026 0.000 1.200 206 P CA -0.474 62.613 63.100 -0.022 0.000 0.772 206 P CB 0.090 31.777 31.700 -0.023 0.000 0.855 207 P HA -0.194 nan 4.420 nan 0.000 0.219 207 P C 1.482 178.767 177.300 -0.024 0.000 1.146 207 P CA 1.825 64.912 63.100 -0.022 0.000 0.808 207 P CB -0.359 31.330 31.700 -0.018 0.000 0.779 208 S N -1.818 113.868 115.700 -0.024 0.000 2.561 208 S HA 0.103 4.574 4.470 0.001 0.000 0.225 208 S C 1.974 176.555 174.600 -0.031 0.000 0.977 208 S CA 1.284 59.469 58.200 -0.025 0.000 0.926 208 S CB -0.607 62.580 63.200 -0.022 0.000 0.769 208 S HN 0.450 nan 8.310 nan 0.000 0.533 209 R N 0.874 121.352 120.500 -0.037 0.000 2.362 209 R HA 0.567 4.907 4.340 0.001 0.000 0.227 209 R C 1.710 177.981 176.300 -0.047 0.000 0.905 209 R CA 0.519 56.591 56.100 -0.047 0.000 1.067 209 R CB -1.204 29.062 30.300 -0.057 0.000 1.078 209 R HN 0.652 nan 8.270 nan 0.000 0.516 210 I N 0.834 121.380 120.570 -0.040 0.000 2.315 210 I HA -0.215 3.956 4.170 0.001 0.000 0.248 210 I C 1.409 177.504 176.117 -0.036 0.000 1.117 210 I CA 1.330 62.606 61.300 -0.038 0.000 1.404 210 I CB -0.111 37.869 38.000 -0.034 0.000 1.071 210 I HN 0.242 nan 8.210 nan 0.000 0.419 211 D N 0.893 121.274 120.400 -0.032 0.000 2.116 211 D HA -0.237 4.404 4.640 0.001 0.000 0.193 211 D C 1.869 178.150 176.300 -0.033 0.000 0.998 211 D CA 1.512 55.495 54.000 -0.029 0.000 0.836 211 D CB -0.494 40.291 40.800 -0.026 0.000 0.951 211 D HN 0.280 nan 8.370 nan 0.000 0.449 212 N N 0.697 119.373 118.700 -0.040 0.000 2.166 212 N HA -0.171 4.570 4.740 0.001 0.000 0.186 212 N C 1.529 177.011 175.510 -0.047 0.000 1.019 212 N CA 1.300 54.323 53.050 -0.045 0.000 0.856 212 N CB 0.018 38.471 38.487 -0.057 0.000 0.993 212 N HN 0.052 nan 8.380 nan 0.000 0.426 213 K N -0.294 120.077 120.400 -0.049 0.000 2.057 213 K HA -0.068 4.252 4.320 0.001 0.000 0.207 213 K C 1.708 178.288 176.600 -0.034 0.000 1.049 213 K CA 1.211 57.470 56.287 -0.047 0.000 0.931 213 K CB -0.128 32.344 32.500 -0.047 0.000 0.714 213 K HN 0.031 nan 8.250 nan 0.000 0.440 214 V N 1.575 121.471 119.914 -0.029 0.000 2.343 214 V HA -0.274 3.847 4.120 0.001 0.000 0.247 214 V C 2.461 178.541 176.094 -0.022 0.000 1.051 214 V CA 2.520 64.806 62.300 -0.022 0.000 1.036 214 V CB -1.065 30.746 31.823 -0.020 0.000 0.654 214 V HN 0.666 nan 8.190 nan 0.000 0.451 215 D N -0.565 119.820 120.400 -0.026 0.000 2.104 215 D HA -0.188 4.452 4.640 0.001 0.000 0.194 215 D C 2.140 178.424 176.300 -0.026 0.000 0.994 215 D CA 1.866 55.851 54.000 -0.025 0.000 0.830 215 D CB -0.534 40.250 40.800 -0.027 0.000 0.959 215 D HN 0.270 nan 8.370 nan 0.000 0.452 216 V N 0.418 120.313 119.914 -0.030 0.000 2.343 216 V HA -0.189 3.931 4.120 0.001 0.000 0.247 216 V C 2.966 179.044 176.094 -0.027 0.000 1.051 216 V CA 1.502 63.783 62.300 -0.031 0.000 1.036 216 V CB -0.093 31.707 31.823 -0.038 0.000 0.654 216 V HN 0.521 nan 8.190 nan 0.000 0.451 217 V N -0.150 119.749 119.914 -0.024 0.000 2.295 217 V HA -0.269 3.851 4.120 0.001 0.000 0.246 217 V C 2.581 178.661 176.094 -0.024 0.000 1.049 217 V CA 2.128 64.415 62.300 -0.021 0.000 1.024 217 V CB -0.770 31.046 31.823 -0.012 0.000 0.648 217 V HN 0.472 nan 8.190 nan 0.000 0.447 218 R N -0.426 120.061 120.500 -0.022 0.000 2.081 218 R HA -0.144 4.197 4.340 0.001 0.000 0.235 218 R C 2.551 178.836 176.300 -0.024 0.000 1.131 218 R CA 1.541 57.627 56.100 -0.023 0.000 0.960 218 R CB -0.340 29.949 30.300 -0.019 0.000 0.856 218 R HN 0.427 nan 8.270 nan 0.000 0.436 219 R N 0.238 120.724 120.500 -0.023 0.000 2.081 219 R HA -0.091 4.250 4.340 0.001 0.000 0.235 219 R C 2.348 178.633 176.300 -0.025 0.000 1.131 219 R CA 1.468 57.554 56.100 -0.022 0.000 0.960 219 R CB -0.356 29.931 30.300 -0.021 0.000 0.856 219 R HN 0.222 nan 8.270 nan 0.000 0.436 220 A N 0.973 123.777 122.820 -0.027 0.000 1.883 220 A HA -0.191 4.129 4.320 0.001 0.000 0.217 220 A C 2.127 179.689 177.584 -0.038 0.000 1.186 220 A CA 1.498 53.517 52.037 -0.031 0.000 0.624 220 A CB -0.574 18.407 19.000 -0.033 0.000 0.822 220 A HN 0.230 nan 8.150 nan 0.000 0.444 221 I N -0.474 120.071 120.570 -0.042 0.000 2.202 221 I HA -0.242 3.929 4.170 0.001 0.000 0.242 221 I C 3.008 179.101 176.117 -0.041 0.000 1.091 221 I CA 1.022 62.292 61.300 -0.050 0.000 1.368 221 I CB -0.454 37.514 38.000 -0.053 0.000 1.058 221 I HN 0.354 nan 8.210 nan 0.000 0.410 222 A N 0.959 123.760 122.820 -0.032 0.000 1.883 222 A HA -0.202 4.118 4.320 0.001 0.000 0.217 222 A C 2.175 179.745 177.584 -0.024 0.000 1.186 222 A CA 1.780 53.802 52.037 -0.026 0.000 0.624 222 A CB -0.749 18.238 19.000 -0.021 0.000 0.822 222 A HN 0.305 nan 8.150 nan 0.000 0.444 223 I N 0.623 121.179 120.570 -0.023 0.000 2.252 223 I HA -0.190 3.980 4.170 0.001 0.000 0.245 223 I C 1.972 178.075 176.117 -0.022 0.000 1.102 223 I CA 1.315 62.602 61.300 -0.020 0.000 1.385 223 I CB -0.390 37.599 38.000 -0.018 0.000 1.064 223 I HN 0.326 nan 8.210 nan 0.000 0.414 224 N N 0.102 118.784 118.700 -0.029 0.000 2.415 224 N HA -0.044 4.697 4.740 0.001 0.000 0.176 224 N C -0.052 175.437 175.510 -0.035 0.000 1.042 224 N CA 0.228 53.259 53.050 -0.031 0.000 0.902 224 N CB 0.102 38.567 38.487 -0.038 0.000 0.986 224 N HN 0.261 nan 8.380 nan 0.000 0.447 225 Q N 0.456 120.232 119.800 -0.039 0.000 2.443 225 Q HA -0.127 4.213 4.340 0.001 0.000 0.337 225 Q C -2.350 173.620 176.000 -0.049 0.000 1.401 225 Q CA 0.481 56.260 55.803 -0.041 0.000 0.943 225 Q CB -1.580 27.142 28.738 -0.028 0.000 1.177 225 Q HN 0.441 nan 8.270 nan 0.000 0.394 226 P HA 0.053 nan 4.420 nan 0.000 0.271 226 P C 0.052 177.301 177.300 -0.085 0.000 1.216 226 P CA -0.223 62.826 63.100 -0.085 0.000 0.776 226 P CB 0.641 32.264 31.700 -0.129 0.000 0.881 227 N N 4.259 122.922 118.700 -0.060 0.000 2.415 227 N HA 0.088 4.829 4.740 0.001 0.000 0.246 227 N C -1.324 174.161 175.510 -0.042 0.000 1.078 227 N CA -2.510 50.518 53.050 -0.037 0.000 0.942 227 N CB 0.286 38.768 38.487 -0.009 0.000 1.140 227 N HN 0.225 nan 8.380 nan 0.000 0.501 228 P HA -0.172 nan 4.420 nan 0.000 0.221 228 P C 0.870 178.255 177.300 0.142 0.000 1.145 228 P CA 1.247 64.332 63.100 -0.025 0.000 0.795 228 P CB 0.193 31.883 31.700 -0.016 0.000 0.775 229 R N -0.036 120.520 120.500 0.092 0.000 2.297 229 R HA 0.027 4.368 4.340 0.001 0.000 0.197 229 R C 0.810 177.173 176.300 0.105 0.000 0.943 229 R CA 0.861 57.023 56.100 0.102 0.000 1.038 229 R CB -1.070 29.266 30.300 0.060 0.000 0.957 229 R HN 0.139 nan 8.270 nan 0.000 0.484 230 D N -0.772 119.691 120.400 0.106 0.000 2.462 230 D HA 0.300 4.941 4.640 0.001 0.000 0.249 230 D C 1.286 177.674 176.300 0.147 0.000 1.117 230 D CA -0.072 53.985 54.000 0.094 0.000 0.900 230 D CB 0.903 41.733 40.800 0.050 0.000 1.039 230 D HN 0.086 nan 8.370 nan 0.000 0.516 231 G N 3.080 112.001 108.800 0.201 0.000 2.469 231 G HA2 -0.236 3.724 3.960 0.001 0.000 0.220 231 G HA3 -0.236 3.724 3.960 0.001 0.000 0.220 231 G C 1.574 176.588 174.900 0.190 0.000 1.136 231 G CA 0.528 45.803 45.100 0.292 0.000 0.759 231 G HN 0.603 nan 8.290 nan 0.000 0.562 232 I N 0.456 121.089 120.570 0.105 0.000 2.353 232 I HA -0.090 4.081 4.170 0.001 0.000 0.248 232 I C 2.378 178.527 176.117 0.053 0.000 1.119 232 I CA 1.314 62.657 61.300 0.071 0.000 1.417 232 I CB -0.219 37.809 38.000 0.048 0.000 1.078 232 I HN 0.130 nan 8.210 nan 0.000 0.421 233 D N 0.832 121.257 120.400 0.042 0.000 2.097 233 D HA -0.158 4.483 4.640 0.001 0.000 0.195 233 D C 2.176 178.468 176.300 -0.012 0.000 0.989 233 D CA 1.259 55.267 54.000 0.012 0.000 0.827 233 D CB 0.147 40.950 40.800 0.004 0.000 0.966 233 D HN 0.042 nan 8.370 nan 0.000 0.456 234 V N 0.384 120.282 119.914 -0.027 0.000 2.295 234 V HA -0.221 3.899 4.120 0.001 0.000 0.246 234 V C 2.652 178.714 176.094 -0.052 0.000 1.049 234 V CA 1.317 63.547 62.300 -0.117 0.000 1.024 234 V CB -0.556 31.064 31.823 -0.338 0.000 0.648 234 V HN 0.307 nan 8.190 nan 0.000 0.447 235 L N 0.834 122.077 121.223 0.032 0.000 2.017 235 L HA -0.185 4.156 4.340 0.001 0.000 0.208 235 L C 2.732 179.614 176.870 0.020 0.000 1.073 235 L CA 2.057 56.925 54.840 0.045 0.000 0.745 235 L CB -0.639 41.468 42.059 0.079 0.000 0.894 235 L HN 0.572 nan 8.230 nan 0.000 0.432 236 S N -1.060 114.653 115.700 0.022 0.000 2.428 236 S HA -0.135 4.335 4.470 0.001 0.000 0.230 236 S C 1.891 176.485 174.600 -0.010 0.000 1.014 236 S CA 0.675 58.886 58.200 0.018 0.000 0.957 236 S CB -0.084 63.134 63.200 0.030 0.000 0.784 236 S HN 0.365 nan 8.310 nan 0.000 0.499 237 K N 0.673 121.059 120.400 -0.023 0.000 2.078 237 K HA 0.141 4.462 4.320 0.001 0.000 0.203 237 K C 1.624 178.196 176.600 -0.046 0.000 1.043 237 K CA 1.326 57.592 56.287 -0.036 0.000 0.960 237 K CB 0.048 32.522 32.500 -0.043 0.000 0.761 237 K HN 0.430 nan 8.250 nan 0.000 0.448 238 V N -2.501 117.379 119.914 -0.057 0.000 3.276 238 V HA 0.378 4.499 4.120 0.001 0.000 0.319 238 V C 0.550 176.618 176.094 -0.043 0.000 1.427 238 V CA -0.301 61.965 62.300 -0.057 0.000 1.102 238 V CB 0.235 32.012 31.823 -0.078 0.000 1.020 238 V HN 0.200 nan 8.190 nan 0.000 0.456 239 G N 0.312 109.093 108.800 -0.031 0.000 2.882 239 G HA2 0.757 4.718 3.960 0.001 0.000 0.164 239 G HA3 0.757 4.718 3.960 0.001 0.000 0.164 239 G C 0.071 174.972 174.900 0.002 0.000 1.429 239 G CA -0.264 44.833 45.100 -0.004 0.000 1.059 239 G HN 1.129 nan 8.290 nan 0.000 0.581 240 G N -2.686 106.118 108.800 0.007 0.000 2.623 240 G HA2 0.433 4.394 3.960 0.001 0.000 0.290 240 G HA3 0.433 4.394 3.960 0.001 0.000 0.290 240 G C 0.072 174.926 174.900 -0.076 0.000 1.437 240 G CA -0.635 44.411 45.100 -0.091 0.000 0.798 240 G HN 0.302 nan 8.290 nan 0.000 0.488 241 F N 0.315 120.218 119.950 -0.079 0.000 2.171 241 F HA -0.090 4.438 4.527 0.001 0.000 0.300 241 F C 2.719 178.499 175.800 -0.033 0.000 1.090 241 F CA 1.398 59.358 58.000 -0.066 0.000 1.293 241 F CB 0.172 39.110 39.000 -0.104 0.000 1.013 241 F HN 0.533 nan 8.300 nan 0.000 0.486 242 D N 0.518 121.009 120.400 0.151 0.000 2.117 242 D HA -0.169 4.472 4.640 0.001 0.000 0.197 242 D C 2.030 178.390 176.300 0.101 0.000 0.987 242 D CA 1.023 55.097 54.000 0.122 0.000 0.829 242 D CB -0.878 40.011 40.800 0.148 0.000 0.961 242 D HN 0.108 nan 8.370 nan 0.000 0.460 243 L N 0.661 121.948 121.223 0.107 0.000 2.046 243 L HA -0.075 4.266 4.340 0.001 0.000 0.208 243 L C 2.706 179.613 176.870 0.062 0.000 1.077 243 L CA 0.766 55.647 54.840 0.068 0.000 0.747 243 L CB -1.035 41.060 42.059 0.061 0.000 0.896 243 L HN 0.046 nan 8.230 nan 0.000 0.432 244 V N 0.085 120.049 119.914 0.084 0.000 2.295 244 V HA -0.227 3.893 4.120 0.001 0.000 0.246 244 V C 2.659 178.783 176.094 0.050 0.000 1.049 244 V CA 1.837 64.183 62.300 0.077 0.000 1.024 244 V CB -1.281 30.611 31.823 0.115 0.000 0.648 244 V HN 0.553 nan 8.190 nan 0.000 0.447 245 G N -0.762 108.070 108.800 0.053 0.000 2.440 245 G HA2 -0.300 3.660 3.960 0.001 0.000 0.218 245 G HA3 -0.300 3.660 3.960 0.001 0.000 0.218 245 G C 1.620 176.526 174.900 0.009 0.000 1.154 245 G CA 1.268 46.380 45.100 0.020 0.000 0.767 245 G HN 0.434 nan 8.290 nan 0.000 0.552 246 M N 0.314 119.926 119.600 0.020 0.000 2.117 246 M HA -0.078 4.403 4.480 0.001 0.000 0.262 246 M C 2.804 179.102 176.300 -0.003 0.000 1.065 246 M CA 1.779 57.085 55.300 0.011 0.000 1.114 246 M CB -0.653 31.956 32.600 0.015 0.000 1.361 246 M HN 0.147 nan 8.290 nan 0.000 0.408 247 T N 0.260 114.816 114.554 0.002 0.000 2.720 247 T HA -0.112 4.238 4.350 0.001 0.000 0.268 247 T C 1.789 176.476 174.700 -0.022 0.000 1.037 247 T CA 1.597 63.692 62.100 -0.007 0.000 1.144 247 T CB -0.761 68.112 68.868 0.008 0.000 0.864 247 T HN 0.655 nan 8.240 nan 0.000 0.444 248 G N 0.845 109.633 108.800 -0.020 0.000 2.432 248 G HA2 -0.146 3.814 3.960 0.001 0.000 0.219 248 G HA3 -0.146 3.814 3.960 0.001 0.000 0.219 248 G C 1.666 176.524 174.900 -0.070 0.000 1.135 248 G CA 0.735 45.813 45.100 -0.036 0.000 0.767 248 G HN 0.449 nan 8.290 nan 0.000 0.550 249 V N 0.953 120.822 119.914 -0.074 0.000 2.358 249 V HA -0.171 3.950 4.120 0.001 0.000 0.246 249 V C 2.863 178.856 176.094 -0.168 0.000 1.047 249 V CA 1.970 64.186 62.300 -0.139 0.000 1.035 249 V CB -0.389 31.375 31.823 -0.098 0.000 0.658 249 V HN 0.371 nan 8.190 nan 0.000 0.452 250 M N -0.664 118.881 119.600 -0.092 0.000 2.117 250 M HA -0.146 4.335 4.480 0.001 0.000 0.262 250 M C 2.128 178.373 176.300 -0.091 0.000 1.065 250 M CA 1.909 57.168 55.300 -0.069 0.000 1.114 250 M CB -0.439 32.146 32.600 -0.025 0.000 1.361 250 M HN 0.255 nan 8.290 nan 0.000 0.408 251 L N -0.808 120.363 121.223 -0.087 0.000 2.109 251 L HA -0.056 4.285 4.340 0.001 0.000 0.207 251 L C 2.678 179.467 176.870 -0.135 0.000 1.086 251 L CA 1.107 55.893 54.840 -0.089 0.000 0.760 251 L CB -1.163 40.859 42.059 -0.061 0.000 0.910 251 L HN 0.399 nan 8.230 nan 0.000 0.437 252 G N -0.282 108.421 108.800 -0.162 0.000 2.402 252 G HA2 -0.207 3.754 3.960 0.001 0.000 0.216 252 G HA3 -0.207 3.754 3.960 0.001 0.000 0.216 252 G C 1.786 176.523 174.900 -0.270 0.000 1.162 252 G CA 0.767 45.747 45.100 -0.200 0.000 0.777 252 G HN 0.437 nan 8.290 nan 0.000 0.539 253 A N 1.186 123.801 122.820 -0.340 0.000 1.898 253 A HA 0.304 4.624 4.320 0.001 0.000 0.216 253 A C 2.810 180.197 177.584 -0.329 0.000 1.181 253 A CA 2.178 54.020 52.037 -0.325 0.000 0.620 253 A CB -0.781 18.061 19.000 -0.264 0.000 0.819 253 A HN 0.746 nan 8.150 nan 0.000 0.442 254 A N -0.071 122.524 122.820 -0.374 0.000 1.902 254 A HA -0.159 4.162 4.320 0.001 0.000 0.217 254 A C 2.175 179.400 177.584 -0.599 0.000 1.181 254 A CA 2.148 53.759 52.037 -0.710 0.000 0.623 254 A CB -0.445 18.374 19.000 -0.302 0.000 0.818 254 A HN 0.477 nan 8.150 nan 0.000 0.443 255 R N -0.389 119.926 120.500 -0.309 0.000 2.096 255 R HA -0.103 4.238 4.340 0.001 0.000 0.235 255 R C 1.819 178.006 176.300 -0.189 0.000 1.127 255 R CA 2.087 58.067 56.100 -0.200 0.000 0.968 255 R CB -1.492 28.728 30.300 -0.133 0.000 0.861 255 R HN 0.450 nan 8.270 nan 0.000 0.440 256 c N 0.093 118.573 118.600 -0.200 0.000 2.522 256 c HA 0.306 4.877 4.570 0.001 0.000 0.271 256 c C 1.246 175.258 174.090 -0.129 0.000 1.425 256 c CA 0.784 57.039 56.329 -0.123 0.000 1.751 256 c CB -1.486 40.980 42.510 -0.074 0.000 1.775 256 c HN 0.794 nan 8.230 nan 0.000 0.557 257 G N 0.946 109.564 108.800 -0.304 0.000 2.221 257 G HA2 -0.238 3.722 3.960 0.001 0.000 0.265 257 G HA3 -0.238 3.722 3.960 0.001 0.000 0.265 257 G C -0.224 174.664 174.900 -0.021 0.000 1.041 257 G CA 0.385 45.331 45.100 -0.257 0.000 0.807 257 G HN 0.543 nan 8.290 nan 0.000 0.502 258 L N 0.282 121.468 121.223 -0.062 0.000 2.323 258 L HA 0.651 4.992 4.340 0.001 0.000 0.265 258 L C -1.886 175.140 176.870 0.259 0.000 1.012 258 L CA -2.712 52.224 54.840 0.159 0.000 0.820 258 L CB 2.519 44.720 42.059 0.237 0.000 1.334 258 L HN -0.076 nan 8.230 nan 0.000 0.427 259 P HA 0.216 nan 4.420 nan 0.000 0.278 259 P C -1.343 176.120 177.300 0.272 0.000 1.238 259 P CA -0.271 62.984 63.100 0.259 0.000 0.794 259 P CB 1.680 33.483 31.700 0.171 0.000 0.955 260 V N 3.079 123.130 119.914 0.227 0.000 2.577 260 V HA 0.344 4.465 4.120 0.001 0.000 0.303 260 V C 0.249 176.444 176.094 0.169 0.000 1.042 260 V CA -0.799 61.628 62.300 0.212 0.000 0.872 260 V CB 1.729 33.639 31.823 0.145 0.000 0.998 260 V HN 0.387 nan 8.190 nan 0.000 0.423 261 L N 4.858 126.182 121.223 0.169 0.000 2.276 261 L HA 0.437 4.777 4.340 0.001 0.000 0.286 261 L C -0.262 176.697 176.870 0.149 0.000 1.061 261 L CA -0.415 54.521 54.840 0.159 0.000 0.807 261 L CB 1.266 43.419 42.059 0.158 0.000 1.177 261 L HN 0.442 nan 8.230 nan 0.000 0.429 262 L N 2.806 124.118 121.223 0.148 0.000 2.479 262 L HA 0.232 4.573 4.340 0.001 0.000 0.248 262 L C 0.456 177.427 176.870 0.169 0.000 1.205 262 L CA 0.625 55.552 54.840 0.145 0.000 0.817 262 L CB 0.510 42.673 42.059 0.172 0.000 1.162 262 L HN 0.607 nan 8.230 nan 0.000 0.486 263 D N -1.340 119.136 120.400 0.126 0.000 3.435 263 D HA 0.380 5.020 4.640 0.001 0.000 0.209 263 D C 0.287 176.586 176.300 -0.002 0.000 1.157 263 D CA 0.490 54.588 54.000 0.163 0.000 1.322 263 D CB 0.251 41.118 40.800 0.112 0.000 0.924 263 D HN 0.492 nan 8.370 nan 0.000 0.180 264 G N -0.960 107.733 108.800 -0.178 0.000 2.890 264 G HA2 0.204 4.165 3.960 0.001 0.000 0.189 264 G HA3 0.204 4.165 3.960 0.001 0.000 0.189 264 G C 0.547 174.746 174.900 -1.170 0.000 1.342 264 G CA -0.271 44.480 45.100 -0.581 0.000 1.026 264 G HN 0.362 nan 8.290 nan 0.000 0.579 265 F N -0.248 119.145 119.950 -0.929 0.000 2.091 265 F HA -0.136 4.391 4.527 0.001 0.000 0.299 265 F C 2.503 178.076 175.800 -0.378 0.000 1.103 265 F CA 1.189 58.793 58.000 -0.660 0.000 1.228 265 F CB 0.133 38.996 39.000 -0.230 0.000 0.984 265 F HN 0.030 nan 8.300 nan 0.000 0.477 266 L N 0.163 121.236 121.223 -0.251 0.000 2.012 266 L HA -0.254 4.087 4.340 0.001 0.000 0.210 266 L C 2.829 179.556 176.870 -0.239 0.000 1.073 266 L CA 2.315 57.017 54.840 -0.232 0.000 0.748 266 L CB -1.684 40.326 42.059 -0.080 0.000 0.891 266 L HN 0.399 nan 8.230 nan 0.000 0.431 267 S N -1.222 114.339 115.700 -0.231 0.000 2.402 267 S HA -0.210 4.260 4.470 0.001 0.000 0.229 267 S C 2.025 176.594 174.600 -0.053 0.000 1.021 267 S CA 0.807 58.934 58.200 -0.123 0.000 0.974 267 S CB -0.748 62.410 63.200 -0.070 0.000 0.800 267 S HN 0.508 nan 8.310 nan 0.000 0.484 268 Y N 1.165 121.373 120.300 -0.155 0.000 2.242 268 Y HA -0.047 4.503 4.550 0.001 0.000 0.291 268 Y C 3.287 179.061 175.900 -0.210 0.000 1.137 268 Y CA 0.548 58.544 58.100 -0.174 0.000 1.181 268 Y CB -0.426 37.930 38.460 -0.173 0.000 0.989 268 Y HN 0.374 nan 8.280 nan 0.000 0.527 269 S N 0.117 115.713 115.700 -0.173 0.000 2.356 269 S HA -0.201 4.269 4.470 0.001 0.000 0.223 269 S C 2.264 176.832 174.600 -0.054 0.000 1.032 269 S CA 1.090 59.192 58.200 -0.163 0.000 1.005 269 S CB -0.445 62.578 63.200 -0.294 0.000 0.867 269 S HN 0.479 nan 8.310 nan 0.000 0.449 270 A N 0.929 123.714 122.820 -0.058 0.000 1.969 270 A HA 0.207 4.528 4.320 0.001 0.000 0.218 270 A C 2.308 179.864 177.584 -0.046 0.000 1.169 270 A CA 1.708 53.730 52.037 -0.025 0.000 0.635 270 A CB -1.007 17.983 19.000 -0.017 0.000 0.810 270 A HN 0.625 nan 8.150 nan 0.000 0.445 271 A N -0.333 122.461 122.820 -0.043 0.000 1.968 271 A HA 0.061 4.382 4.320 0.001 0.000 0.217 271 A C 2.118 179.615 177.584 -0.145 0.000 1.169 271 A CA 1.221 53.224 52.037 -0.058 0.000 0.638 271 A CB -0.501 18.491 19.000 -0.012 0.000 0.812 271 A HN 0.458 nan 8.150 nan 0.000 0.446 272 L N -0.729 120.373 121.223 -0.202 0.000 2.046 272 L HA -0.222 4.119 4.340 0.001 0.000 0.208 272 L C 3.128 179.557 176.870 -0.736 0.000 1.077 272 L CA 1.136 55.721 54.840 -0.425 0.000 0.747 272 L CB -0.562 41.256 42.059 -0.401 0.000 0.896 272 L HN 0.450 nan 8.230 nan 0.000 0.432 273 A N 0.028 122.510 122.820 -0.563 0.000 1.858 273 A HA -0.209 4.112 4.320 0.001 0.000 0.216 273 A C 2.542 180.004 177.584 -0.204 0.000 1.190 273 A CA 1.863 53.682 52.037 -0.363 0.000 0.617 273 A CB -0.897 18.135 19.000 0.052 0.000 0.827 273 A HN 0.403 nan 8.150 nan 0.000 0.443 274 A N -1.016 121.726 122.820 -0.130 0.000 1.917 274 A HA -0.233 4.087 4.320 0.001 0.000 0.219 274 A C 2.277 179.807 177.584 -0.089 0.000 1.182 274 A CA 1.905 53.895 52.037 -0.078 0.000 0.633 274 A CB -1.341 17.628 19.000 -0.051 0.000 0.819 274 A HN 0.640 nan 8.150 nan 0.000 0.448 275 C N -1.422 117.800 119.300 -0.130 0.000 2.448 275 C HA 0.010 4.470 4.460 0.001 0.000 0.280 275 C C 2.744 177.663 174.990 -0.118 0.000 1.398 275 C CA 1.179 60.133 59.018 -0.106 0.000 1.774 275 C CB -0.893 26.780 27.740 -0.112 0.000 1.888 275 C HN 0.768 nan 8.230 nan 0.000 0.519 276 Q N 1.223 120.909 119.800 -0.190 0.000 2.083 276 Q HA 0.014 4.355 4.340 0.001 0.000 0.198 276 Q C 1.857 177.831 176.000 -0.044 0.000 0.969 276 Q CA 1.668 57.390 55.803 -0.134 0.000 0.838 276 Q CB -0.353 28.259 28.738 -0.211 0.000 0.900 276 Q HN 0.653 nan 8.270 nan 0.000 0.436 277 I N -0.203 120.343 120.570 -0.040 0.000 2.202 277 I HA -0.066 4.105 4.170 0.001 0.000 0.242 277 I C 0.434 176.546 176.117 -0.008 0.000 1.091 277 I CA 0.913 62.209 61.300 -0.006 0.000 1.368 277 I CB -0.017 37.981 38.000 -0.002 0.000 1.058 277 I HN 0.174 nan 8.210 nan 0.000 0.410 278 A N -0.022 122.788 122.820 -0.017 0.000 2.599 278 A HA 0.482 4.803 4.320 0.001 0.000 0.281 278 A C -2.132 175.449 177.584 -0.004 0.000 1.137 278 A CA -0.958 51.076 52.037 -0.006 0.000 0.767 278 A CB 0.419 19.418 19.000 -0.002 0.000 1.266 278 A HN -0.082 nan 8.150 nan 0.000 0.420 279 P HA -0.159 nan 4.420 nan 0.000 0.219 279 P C 1.602 178.911 177.300 0.015 0.000 1.146 279 P CA 1.805 64.902 63.100 -0.006 0.000 0.808 279 P CB 0.319 32.015 31.700 -0.007 0.000 0.779 280 A N -0.818 122.022 122.820 0.034 0.000 2.178 280 A HA -0.100 4.220 4.320 0.001 0.000 0.218 280 A C 2.101 179.772 177.584 0.146 0.000 1.157 280 A CA 1.117 53.199 52.037 0.074 0.000 0.689 280 A CB -1.435 17.612 19.000 0.078 0.000 0.787 280 A HN 0.076 nan 8.150 nan 0.000 0.465 281 V N -0.418 119.562 119.914 0.109 0.000 2.719 281 V HA -0.144 3.976 4.120 0.001 0.000 0.252 281 V C 2.627 178.821 176.094 0.166 0.000 1.065 281 V CA 1.499 63.898 62.300 0.165 0.000 1.086 281 V CB -0.706 31.154 31.823 0.061 0.000 0.700 281 V HN 0.503 nan 8.190 nan 0.000 0.467 282 R N 1.277 121.812 120.500 0.059 0.000 2.112 282 R HA -0.157 4.184 4.340 0.001 0.000 0.242 282 R C 0.011 176.290 176.300 -0.035 0.000 1.137 282 R CA 2.433 58.536 56.100 0.004 0.000 0.944 282 R CB -1.995 28.290 30.300 -0.026 0.000 0.857 282 R HN 0.449 nan 8.270 nan 0.000 0.435 283 P HA -0.123 nan 4.420 nan 0.000 0.228 283 P C 0.545 177.616 177.300 -0.381 0.000 1.151 283 P CA 1.193 64.127 63.100 -0.277 0.000 0.770 283 P CB -0.213 31.257 31.700 -0.384 0.000 0.786 284 Y N -1.117 119.189 120.300 0.010 0.000 2.500 284 Y HA 0.150 4.701 4.550 0.001 0.000 0.270 284 Y C 1.215 177.137 175.900 0.037 0.000 1.134 284 Y CA -0.397 57.718 58.100 0.025 0.000 1.293 284 Y CB -0.247 38.226 38.460 0.021 0.000 1.063 284 Y HN -0.169 nan 8.280 nan 0.000 0.534 285 L N 1.284 122.580 121.223 0.121 0.000 2.349 285 L HA 0.257 4.598 4.340 0.001 0.000 0.275 285 L C -0.260 176.654 176.870 0.074 0.000 1.115 285 L CA -0.535 54.360 54.840 0.092 0.000 0.820 285 L CB 0.430 42.520 42.059 0.051 0.000 1.135 285 L HN 0.014 nan 8.230 nan 0.000 0.445 286 I N 5.356 125.988 120.570 0.103 0.000 2.466 286 I HA 0.375 4.546 4.170 0.001 0.000 0.289 286 I C -2.261 173.927 176.117 0.118 0.000 1.026 286 I CA -1.838 59.539 61.300 0.127 0.000 1.078 286 I CB 2.405 40.517 38.000 0.187 0.000 1.249 286 I HN 0.432 nan 8.210 nan 0.000 0.429 287 P HA 0.166 nan 4.420 nan 0.000 0.277 287 P C -0.124 177.250 177.300 0.124 0.000 1.240 287 P CA -0.193 62.905 63.100 -0.004 0.000 0.798 287 P CB 1.848 33.428 31.700 -0.200 0.000 0.979 288 S N 1.102 116.917 115.700 0.192 0.000 3.036 288 S HA 0.133 4.604 4.470 0.001 0.000 0.194 288 S C 0.845 175.652 174.600 0.345 0.000 0.797 288 S CA -0.027 58.363 58.200 0.317 0.000 0.822 288 S CB -0.685 62.716 63.200 0.335 0.000 0.810 288 S HN 0.752 nan 8.310 nan 0.000 0.629 289 H N -0.293 118.880 119.070 0.172 0.000 2.812 289 H HA 0.619 5.175 4.556 0.001 0.000 0.355 289 H C -1.884 173.548 175.328 0.173 0.000 1.207 289 H CA -1.410 54.745 56.048 0.178 0.000 1.217 289 H CB 0.803 30.666 29.762 0.169 0.000 1.874 289 H HN 0.353 nan 8.280 nan 0.000 0.581 290 F N 2.016 121.917 119.950 -0.081 0.000 2.303 290 F HA 0.245 4.772 4.527 0.001 0.000 0.368 290 F C 0.704 176.434 175.800 -0.115 0.000 1.105 290 F CA -0.408 57.474 58.000 -0.196 0.000 1.153 290 F CB 0.482 39.193 39.000 -0.481 0.000 1.362 290 F HN 0.611 nan 8.300 nan 0.000 0.511 291 S N 3.836 119.548 115.700 0.020 0.000 2.558 291 S HA 0.240 4.711 4.470 0.001 0.000 0.291 291 S C 1.237 175.979 174.600 0.237 0.000 1.306 291 S CA 0.146 58.399 58.200 0.089 0.000 1.056 291 S CB 0.677 63.855 63.200 -0.036 0.000 0.836 291 S HN 0.825 nan 8.310 nan 0.000 0.504 292 A N 3.218 126.140 122.820 0.169 0.000 2.259 292 A HA 0.219 4.539 4.320 0.001 0.000 0.208 292 A C 0.635 178.243 177.584 0.040 0.000 1.201 292 A CA 0.052 52.155 52.037 0.111 0.000 0.824 292 A CB -0.387 18.662 19.000 0.082 0.000 0.838 292 A HN 0.854 nan 8.150 nan 0.000 0.485 293 E N 0.395 120.594 120.200 -0.001 0.000 2.373 293 E HA 0.180 4.531 4.350 0.001 0.000 0.267 293 E C 1.125 177.611 176.600 -0.189 0.000 1.032 293 E CA -0.060 56.242 56.400 -0.163 0.000 0.889 293 E CB 0.724 30.230 29.700 -0.323 0.000 0.984 293 E HN 0.281 nan 8.360 nan 0.000 0.425 294 K N 2.673 122.937 120.400 -0.227 0.000 2.059 294 K HA -0.166 4.154 4.320 0.001 0.000 0.212 294 K C 1.381 177.887 176.600 -0.156 0.000 1.050 294 K CA 1.755 57.948 56.287 -0.156 0.000 0.927 294 K CB -0.370 32.044 32.500 -0.143 0.000 0.714 294 K HN 0.660 nan 8.250 nan 0.000 0.447 295 G N -0.702 107.878 108.800 -0.366 0.000 3.026 295 G HA2 0.048 4.009 3.960 0.001 0.000 0.208 295 G HA3 0.048 4.009 3.960 0.001 0.000 0.208 295 G C 1.231 176.215 174.900 0.141 0.000 1.169 295 G CA 0.487 45.513 45.100 -0.125 0.000 0.788 295 G HN 0.395 nan 8.290 nan 0.000 0.533 296 A N 1.259 124.132 122.820 0.088 0.000 1.883 296 A HA -0.084 4.236 4.320 0.001 0.000 0.217 296 A C 2.255 179.861 177.584 0.037 0.000 1.186 296 A CA 1.794 53.992 52.037 0.269 0.000 0.624 296 A CB -0.435 18.710 19.000 0.242 0.000 0.822 296 A HN 0.378 nan 8.150 nan 0.000 0.444 297 R N -0.391 120.190 120.500 0.134 0.000 2.091 297 R HA -0.122 4.219 4.340 0.001 0.000 0.238 297 R C 1.929 178.276 176.300 0.079 0.000 1.136 297 R CA 1.919 58.112 56.100 0.156 0.000 0.959 297 R CB -0.415 30.050 30.300 0.276 0.000 0.856 297 R HN 0.556 nan 8.270 nan 0.000 0.437 298 I N 0.479 121.122 120.570 0.122 0.000 2.252 298 I HA -0.209 3.962 4.170 0.001 0.000 0.245 298 I C 2.555 178.781 176.117 0.181 0.000 1.102 298 I CA 1.222 62.623 61.300 0.167 0.000 1.385 298 I CB -0.315 37.777 38.000 0.154 0.000 1.064 298 I HN 0.303 nan 8.210 nan 0.000 0.414 299 A N 0.824 123.724 122.820 0.133 0.000 1.902 299 A HA -0.159 4.161 4.320 0.001 0.000 0.217 299 A C 2.286 179.816 177.584 -0.090 0.000 1.181 299 A CA 1.443 53.523 52.037 0.072 0.000 0.623 299 A CB -0.878 18.237 19.000 0.191 0.000 0.818 299 A HN 0.374 nan 8.150 nan 0.000 0.443 300 L N -0.849 120.202 121.223 -0.286 0.000 2.093 300 L HA -0.171 4.170 4.340 0.001 0.000 0.208 300 L C 3.066 179.815 176.870 -0.202 0.000 1.085 300 L CA 0.955 55.539 54.840 -0.426 0.000 0.755 300 L CB -0.497 41.162 42.059 -0.665 0.000 0.904 300 L HN 0.440 nan 8.230 nan 0.000 0.435 301 A N -1.049 121.717 122.820 -0.089 0.000 1.933 301 A HA -0.217 4.104 4.320 0.001 0.000 0.218 301 A C 2.085 179.601 177.584 -0.114 0.000 1.175 301 A CA 1.297 53.289 52.037 -0.076 0.000 0.628 301 A CB -0.748 18.230 19.000 -0.037 0.000 0.814 301 A HN 0.446 nan 8.150 nan 0.000 0.444 302 H N -1.413 117.615 119.070 -0.071 0.000 2.524 302 H HA 0.046 4.603 4.556 0.001 0.000 0.282 302 H C 0.980 176.256 175.328 -0.087 0.000 1.016 302 H CA 0.785 56.799 56.048 -0.057 0.000 1.270 302 H CB 0.224 29.968 29.762 -0.029 0.000 1.394 302 H HN 0.264 nan 8.280 nan 0.000 0.568 303 L N 0.227 121.431 121.223 -0.031 0.000 2.585 303 L HA 0.065 4.405 4.340 0.001 0.000 0.226 303 L C 0.762 177.572 176.870 -0.100 0.000 1.113 303 L CA 0.486 55.276 54.840 -0.083 0.000 0.876 303 L CB -0.378 41.600 42.059 -0.133 0.000 1.072 303 L HN 0.007 nan 8.230 nan 0.000 0.468 304 S N 0.543 116.180 115.700 -0.106 0.000 3.706 304 S HA -0.205 4.265 4.470 0.001 0.000 0.363 304 S C 0.372 174.904 174.600 -0.113 0.000 0.999 304 S CA 0.651 58.790 58.200 -0.101 0.000 1.143 304 S CB -1.322 61.830 63.200 -0.080 0.000 0.902 304 S HN 0.390 nan 8.310 nan 0.000 0.476 305 M N 0.785 120.291 119.600 -0.157 0.000 2.465 305 M HA 0.572 5.052 4.480 0.001 0.000 0.316 305 M C 0.052 176.233 176.300 -0.198 0.000 1.121 305 M CA -0.108 55.079 55.300 -0.188 0.000 0.934 305 M CB 2.142 34.595 32.600 -0.245 0.000 1.692 305 M HN 0.308 nan 8.290 nan 0.000 0.444 306 E N 2.842 122.933 120.200 -0.182 0.000 2.267 306 E HA 0.572 4.923 4.350 0.001 0.000 0.248 306 E C -2.976 173.497 176.600 -0.212 0.000 0.899 306 E CA -1.918 54.412 56.400 -0.117 0.000 0.764 306 E CB 0.592 30.269 29.700 -0.038 0.000 1.227 306 E HN 0.368 nan 8.360 nan 0.000 0.421 307 P HA 0.093 nan 4.420 nan 0.000 0.269 307 P C -0.011 177.254 177.300 -0.058 0.000 1.211 307 P CA 0.010 63.006 63.100 -0.173 0.000 0.781 307 P CB 0.488 32.168 31.700 -0.032 0.000 0.877 308 Y N -0.031 120.393 120.300 0.206 0.000 2.397 308 Y HA 0.155 4.705 4.550 0.001 0.000 0.292 308 Y C 1.027 177.085 175.900 0.263 0.000 1.115 308 Y CA 0.633 58.851 58.100 0.196 0.000 1.208 308 Y CB -0.299 38.243 38.460 0.137 0.000 1.046 308 Y HN 0.102 nan 8.280 nan 0.000 0.552 309 L N 0.606 122.100 121.223 0.453 0.000 2.307 309 L HA 0.346 4.687 4.340 0.001 0.000 0.284 309 L C -1.031 176.132 176.870 0.488 0.000 1.023 309 L CA -0.578 54.510 54.840 0.414 0.000 0.810 309 L CB 0.974 43.225 42.059 0.320 0.000 1.231 309 L HN 0.038 nan 8.230 nan 0.000 0.423 310 H N 4.944 124.128 119.070 0.190 0.000 2.643 310 H HA 0.351 4.907 4.556 0.001 0.000 0.259 310 H C 0.127 175.533 175.328 0.129 0.000 1.298 310 H CA -0.445 55.698 56.048 0.159 0.000 1.301 310 H CB 0.949 30.750 29.762 0.065 0.000 1.422 310 H HN 0.455 nan 8.280 nan 0.000 0.521 311 M N 0.819 120.559 119.600 0.232 0.000 2.306 311 M HA 0.302 4.783 4.480 0.001 0.000 0.292 311 M C 1.094 177.471 176.300 0.128 0.000 1.018 311 M CA 0.093 55.484 55.300 0.152 0.000 1.007 311 M CB -0.230 32.432 32.600 0.103 0.000 1.510 311 M HN 0.631 nan 8.290 nan 0.000 0.537 312 A N 1.208 124.116 122.820 0.148 0.000 2.799 312 A HA -0.226 4.095 4.320 0.001 0.000 0.287 312 A C 0.332 177.991 177.584 0.126 0.000 1.484 312 A CA 0.799 52.906 52.037 0.118 0.000 0.813 312 A CB -2.213 16.830 19.000 0.072 0.000 1.009 312 A HN 0.553 nan 8.150 nan 0.000 0.545 313 M N -0.752 118.958 119.600 0.182 0.000 2.235 313 M HA 0.460 4.940 4.480 0.001 0.000 0.351 313 M C 1.335 177.754 176.300 0.199 0.000 1.178 313 M CA 0.481 55.863 55.300 0.137 0.000 1.143 313 M CB 0.785 33.383 32.600 -0.004 0.000 1.530 313 M HN 0.492 nan 8.290 nan 0.000 0.461 314 R N 2.046 122.620 120.500 0.124 0.000 2.521 314 R HA 0.156 4.496 4.340 0.001 0.000 0.436 314 R C -0.015 176.330 176.300 0.077 0.000 0.917 314 R CA -0.279 55.886 56.100 0.109 0.000 1.080 314 R CB -0.320 30.021 30.300 0.068 0.000 1.530 314 R HN 0.616 nan 8.270 nan 0.000 0.596 315 L N 0.722 121.987 121.223 0.070 0.000 2.127 315 L HA 0.381 4.721 4.340 0.001 0.000 0.203 315 L C 0.956 177.859 176.870 0.055 0.000 1.080 315 L CA 2.375 57.245 54.840 0.050 0.000 0.768 315 L CB -0.145 41.933 42.059 0.032 0.000 0.924 315 L HN 0.575 nan 8.230 nan 0.000 0.444 316 G N -0.700 108.141 108.800 0.068 0.000 2.527 316 G HA2 -0.269 3.691 3.960 0.001 0.000 0.227 316 G HA3 -0.269 3.691 3.960 0.001 0.000 0.227 316 G C 0.310 175.243 174.900 0.055 0.000 1.291 316 G CA 0.044 45.182 45.100 0.064 0.000 0.904 316 G HN 0.442 nan 8.290 nan 0.000 0.577 317 E N -1.811 118.421 120.200 0.053 0.000 3.975 317 E HA -0.238 4.113 4.350 0.001 0.000 0.342 317 E C 1.577 178.212 176.600 0.059 0.000 0.677 317 E CA 2.118 58.550 56.400 0.052 0.000 1.238 317 E CB -1.520 28.207 29.700 0.045 0.000 1.665 317 E HN 2.756 nan 8.360 nan 0.000 0.429 318 G N -0.270 108.569 108.800 0.065 0.000 2.144 318 G HA2 -0.339 3.621 3.960 0.001 0.000 0.218 318 G HA3 -0.339 3.621 3.960 0.001 0.000 0.218 318 G C 0.801 175.740 174.900 0.064 0.000 0.988 318 G CA 1.079 46.225 45.100 0.076 0.000 0.659 318 G HN 0.739 nan 8.290 nan 0.000 0.522 319 S N -0.512 115.212 115.700 0.041 0.000 2.399 319 S HA 0.102 4.573 4.470 0.001 0.000 0.231 319 S C 2.445 177.025 174.600 -0.034 0.000 1.022 319 S CA 1.739 59.942 58.200 0.005 0.000 0.983 319 S CB -0.533 62.660 63.200 -0.012 0.000 0.803 319 S HN 1.497 nan 8.310 nan 0.000 0.480 320 G N 1.406 110.169 108.800 -0.061 0.000 2.403 320 G HA2 0.171 4.132 3.960 0.001 0.000 0.216 320 G HA3 0.171 4.132 3.960 0.001 0.000 0.216 320 G C 1.649 176.601 174.900 0.086 0.000 1.154 320 G CA 0.629 45.644 45.100 -0.141 0.000 0.784 320 G HN 0.734 nan 8.290 nan 0.000 0.538 321 A N 1.341 124.240 122.820 0.131 0.000 1.877 321 A HA 0.232 4.552 4.320 0.001 0.000 0.216 321 A C 2.810 180.454 177.584 0.099 0.000 1.186 321 A CA 2.314 54.433 52.037 0.137 0.000 0.620 321 A CB -0.831 18.247 19.000 0.130 0.000 0.822 321 A HN 0.762 nan 8.150 nan 0.000 0.443 322 A N -0.777 122.085 122.820 0.071 0.000 1.933 322 A HA -0.025 4.295 4.320 0.001 0.000 0.218 322 A C 2.104 179.715 177.584 0.045 0.000 1.175 322 A CA 1.674 53.743 52.037 0.054 0.000 0.628 322 A CB -0.554 18.472 19.000 0.043 0.000 0.814 322 A HN 0.634 nan 8.150 nan 0.000 0.444 323 L N -0.618 120.627 121.223 0.037 0.000 2.141 323 L HA 0.014 4.355 4.340 0.001 0.000 0.209 323 L C 2.451 179.356 176.870 0.059 0.000 1.094 323 L CA 1.884 56.744 54.840 0.033 0.000 0.763 323 L CB -0.392 41.670 42.059 0.005 0.000 0.908 323 L HN 0.318 nan 8.230 nan 0.000 0.437 324 A N -1.512 121.362 122.820 0.089 0.000 2.178 324 A HA -0.005 4.315 4.320 0.001 0.000 0.211 324 A C 2.134 179.759 177.584 0.068 0.000 1.157 324 A CA 0.681 52.783 52.037 0.108 0.000 0.780 324 A CB -0.456 18.659 19.000 0.192 0.000 0.828 324 A HN 0.455 nan 8.150 nan 0.000 0.476 325 M N -0.171 119.463 119.600 0.057 0.000 2.144 325 M HA -0.133 4.348 4.480 0.001 0.000 0.260 325 M C -0.700 175.609 176.300 0.016 0.000 1.067 325 M CA 1.840 57.161 55.300 0.036 0.000 1.095 325 M CB -1.381 31.237 32.600 0.030 0.000 1.365 325 M HN 0.148 nan 8.290 nan 0.000 0.406 326 P HA -0.098 nan 4.420 nan 0.000 0.220 326 P C 1.298 178.593 177.300 -0.009 0.000 1.148 326 P CA 1.199 64.302 63.100 0.006 0.000 0.803 326 P CB -0.143 31.564 31.700 0.011 0.000 0.782 327 I N -1.500 119.057 120.570 -0.023 0.000 2.252 327 I HA -0.181 3.990 4.170 0.001 0.000 0.245 327 I C 2.095 178.158 176.117 -0.090 0.000 1.102 327 I CA 1.183 62.437 61.300 -0.078 0.000 1.385 327 I CB -0.677 37.237 38.000 -0.143 0.000 1.064 327 I HN -0.175 nan 8.210 nan 0.000 0.414 328 V N 0.789 120.668 119.914 -0.058 0.000 2.343 328 V HA -0.266 3.854 4.120 0.001 0.000 0.247 328 V C 2.316 178.401 176.094 -0.016 0.000 1.051 328 V CA 1.864 64.141 62.300 -0.038 0.000 1.036 328 V CB -0.680 31.142 31.823 -0.002 0.000 0.654 328 V HN 0.436 nan 8.190 nan 0.000 0.451 329 E N 0.202 120.398 120.200 -0.006 0.000 2.150 329 E HA -0.163 4.188 4.350 0.001 0.000 0.193 329 E C 2.317 178.929 176.600 0.020 0.000 0.985 329 E CA 1.155 57.560 56.400 0.009 0.000 0.814 329 E CB -0.286 29.418 29.700 0.006 0.000 0.752 329 E HN 0.616 nan 8.360 nan 0.000 0.466 330 A N 1.499 124.321 122.820 0.004 0.000 1.902 330 A HA -0.096 4.224 4.320 0.001 0.000 0.217 330 A C 2.389 179.988 177.584 0.025 0.000 1.181 330 A CA 1.565 53.608 52.037 0.010 0.000 0.623 330 A CB -0.520 18.474 19.000 -0.012 0.000 0.818 330 A HN 0.289 nan 8.150 nan 0.000 0.443 331 A N -1.126 121.698 122.820 0.006 0.000 1.972 331 A HA -0.137 4.184 4.320 0.001 0.000 0.219 331 A C 2.254 179.889 177.584 0.085 0.000 1.169 331 A CA 1.647 53.700 52.037 0.026 0.000 0.635 331 A CB -1.111 17.879 19.000 -0.016 0.000 0.810 331 A HN 0.600 nan 8.150 nan 0.000 0.446 332 C N -1.230 118.124 119.300 0.090 0.000 2.466 332 C HA 0.165 4.625 4.460 0.001 0.000 0.278 332 C C 3.302 178.466 174.990 0.290 0.000 1.288 332 C CA 0.544 59.673 59.018 0.185 0.000 1.722 332 C CB -1.220 26.607 27.740 0.145 0.000 2.017 332 C HN 0.710 nan 8.230 nan 0.000 0.488 333 A N 0.726 123.653 122.820 0.178 0.000 1.877 333 A HA -0.246 4.075 4.320 0.001 0.000 0.216 333 A C 2.217 179.896 177.584 0.159 0.000 1.186 333 A CA 2.077 54.210 52.037 0.160 0.000 0.620 333 A CB -0.785 18.267 19.000 0.087 0.000 0.822 333 A HN 0.653 nan 8.150 nan 0.000 0.443 334 M N -1.611 118.065 119.600 0.127 0.000 2.082 334 M HA -0.193 4.288 4.480 0.001 0.000 0.258 334 M C 2.131 178.502 176.300 0.118 0.000 1.071 334 M CA 2.612 57.969 55.300 0.096 0.000 1.103 334 M CB -0.429 32.218 32.600 0.077 0.000 1.307 334 M HN 0.400 nan 8.290 nan 0.000 0.409 335 F N 0.733 120.684 119.950 0.002 0.000 2.091 335 F HA -0.314 4.214 4.527 0.000 0.000 0.299 335 F C 2.355 178.122 175.800 -0.055 0.000 1.103 335 F CA 2.226 60.197 58.000 -0.049 0.000 1.228 335 F CB -0.441 38.457 39.000 -0.170 0.000 0.984 335 F HN 0.339 nan 8.300 nan 0.000 0.477 336 H N -0.986 118.269 119.070 0.308 0.000 2.497 336 H HA 0.107 4.664 4.556 0.001 0.000 0.282 336 H C 1.329 176.710 175.328 0.089 0.000 1.003 336 H CA 1.438 57.598 56.048 0.188 0.000 1.307 336 H CB -0.289 29.589 29.762 0.193 0.000 1.437 336 H HN 0.478 nan 8.280 nan 0.000 0.544 337 N N -0.283 118.522 118.700 0.176 0.000 2.322 337 N HA 0.092 4.833 4.740 0.001 0.000 0.181 337 N C 0.290 175.826 175.510 0.043 0.000 1.088 337 N CA -0.206 52.904 53.050 0.099 0.000 0.885 337 N CB 0.863 39.403 38.487 0.089 0.000 1.013 337 N HN 0.032 nan 8.380 nan 0.000 0.472 338 M N 1.214 120.822 119.600 0.014 0.000 2.245 338 M HA 0.131 4.612 4.480 0.001 0.000 0.330 338 M C 1.035 177.307 176.300 -0.047 0.000 1.098 338 M CA -0.134 55.151 55.300 -0.025 0.000 1.172 338 M CB 0.649 33.216 32.600 -0.054 0.000 1.467 338 M HN 0.084 nan 8.290 nan 0.000 0.454 339 G N 1.450 110.223 108.800 -0.046 0.000 2.588 339 G HA2 0.375 4.335 3.960 0.001 0.000 0.281 339 G HA3 0.375 4.335 3.960 0.001 0.000 0.281 339 G C -0.896 173.952 174.900 -0.086 0.000 1.236 339 G CA -0.580 44.491 45.100 -0.049 0.000 0.969 339 G HN 0.743 nan 8.290 nan 0.000 0.504 340 E N -0.540 119.614 120.200 -0.077 0.000 2.227 340 E HA 0.301 4.652 4.350 0.001 0.000 0.268 340 E C 0.985 177.544 176.600 -0.068 0.000 0.907 340 E CA -0.725 55.617 56.400 -0.098 0.000 0.786 340 E CB 2.585 32.227 29.700 -0.097 0.000 1.191 340 E HN 0.276 nan 8.360 nan 0.000 0.411 341 L N 1.415 122.595 121.223 -0.072 0.000 1.990 341 L HA -0.277 4.064 4.340 0.001 0.000 0.213 341 L C 2.396 179.243 176.870 -0.039 0.000 1.072 341 L CA 1.907 56.716 54.840 -0.051 0.000 0.755 341 L CB -0.500 41.528 42.059 -0.051 0.000 0.889 341 L HN 0.726 nan 8.230 nan 0.000 0.432 342 A N -0.104 122.692 122.820 -0.040 0.000 1.948 342 A HA -0.226 4.094 4.320 0.001 0.000 0.220 342 A C 2.461 180.031 177.584 -0.023 0.000 1.177 342 A CA 1.841 53.861 52.037 -0.028 0.000 0.636 342 A CB -0.781 18.203 19.000 -0.026 0.000 0.815 342 A HN 0.446 nan 8.150 nan 0.000 0.449 343 A N -1.243 121.562 122.820 -0.026 0.000 2.125 343 A HA 0.061 4.381 4.320 0.001 0.000 0.219 343 A C 1.984 179.557 177.584 -0.018 0.000 1.156 343 A CA 1.722 53.748 52.037 -0.020 0.000 0.671 343 A CB -0.322 18.666 19.000 -0.021 0.000 0.794 343 A HN 0.405 nan 8.150 nan 0.000 0.459 344 S N -0.701 114.986 115.700 -0.020 0.000 2.593 344 S HA 0.164 4.635 4.470 0.001 0.000 0.236 344 S C 0.234 174.825 174.600 -0.016 0.000 0.991 344 S CA 0.066 58.256 58.200 -0.017 0.000 0.963 344 S CB -0.215 62.973 63.200 -0.020 0.000 0.865 344 S HN 0.771 nan 8.310 nan 0.000 0.488 345 N N 0.868 119.558 118.700 -0.016 0.000 2.713 345 N HA -0.172 4.568 4.740 0.001 0.000 0.251 345 N C -0.576 174.925 175.510 -0.015 0.000 1.117 345 N CA 0.662 53.703 53.050 -0.014 0.000 0.770 345 N CB -1.518 36.962 38.487 -0.011 0.000 1.137 345 N HN 0.465 nan 8.380 nan 0.000 0.566 346 I N 0.780 121.339 120.570 -0.019 0.000 2.371 346 I HA 0.266 4.437 4.170 0.001 0.000 0.290 346 I C 0.257 176.362 176.117 -0.020 0.000 1.028 346 I CA -0.686 60.603 61.300 -0.019 0.000 1.345 346 I CB 0.866 38.853 38.000 -0.021 0.000 1.407 346 I HN -0.181 nan 8.210 nan 0.000 0.501 347 V N 7.782 127.686 119.914 -0.017 0.000 2.487 347 V HA 0.522 4.643 4.120 0.001 0.000 0.298 347 V C -0.194 175.891 176.094 -0.015 0.000 1.028 347 V CA -0.570 61.721 62.300 -0.016 0.000 0.860 347 V CB 1.849 33.664 31.823 -0.013 0.000 0.991 347 V HN 0.479 nan 8.190 nan 0.000 0.427 348 L N 4.685 125.898 121.223 -0.016 0.000 2.408 348 L HA 0.631 4.972 4.340 0.001 0.000 0.268 348 L C -1.904 174.958 176.870 -0.013 0.000 0.986 348 L CA -1.529 53.302 54.840 -0.015 0.000 0.820 348 L CB 1.608 43.657 42.059 -0.017 0.000 1.303 348 L HN 0.508 nan 8.230 nan 0.000 0.411 349 P HA 0.000 nan 4.420 nan 0.000 0.216 349 P CA 0.000 63.095 63.100 -0.009 0.000 0.800 349 P CB 0.000 31.696 31.700 -0.007 0.000 0.726