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 1l4n_1_A DATA FIRST_RESID 3 DATA SEQUENCE TLHALLRDIP APDAEAMART QQHIDGLLKP PGSLGRLETL AVQLAGMPGL DATA SEQUENCE NGTPQVGEKA VLVMCADHGV WDEGVAVSPK IVTAIQAANM TRGTTGVCVL DATA SEQUENCE AAQAGAKVHV IDVGIDAEPI PGVVNMRVAR GCGNIAVGPA MSRLQAEALL DATA SEQUENCE LEVSRYTcDL AQRGVTLFGV GELGMANTTP AAAMVSVFTG SDAKEVVGIG DATA SEQUENCE ANLPPSRIDN KVDVVRRAIA INQPNPRDGI DVLSKVGGFD LVGMTGVMLG DATA SEQUENCE AARcGLPVLL DGFLSYSAAL AACQIAPAVR PYLIPSHFSA EKGARIALAH DATA SEQUENCE LSMEPYLHMA MRLGEGSGAA LAMPIVEAAC AMFHNMGELA ASNIVLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.694 174.700 -0.009 0.000 1.109 3 T CA 0.000 62.095 62.100 -0.008 0.000 1.349 3 T CB 0.000 68.863 68.868 -0.008 0.000 0.612 4 L N 2.188 123.407 121.223 -0.007 0.000 2.156 4 L HA 0.242 4.582 4.340 0.001 0.000 0.208 4 L C 2.781 179.647 176.870 -0.007 0.000 1.095 4 L CA 3.323 58.158 54.840 -0.008 0.000 0.770 4 L CB -0.986 41.070 42.059 -0.004 0.000 0.914 4 L HN 0.687 nan 8.230 nan 0.000 0.439 5 H N -1.548 117.519 119.070 -0.004 0.000 2.357 5 H HA 0.170 4.727 4.556 0.001 0.000 0.301 5 H C 2.132 177.457 175.328 -0.005 0.000 1.082 5 H CA 1.840 57.886 56.048 -0.003 0.000 1.342 5 H CB -0.843 28.919 29.762 -0.001 0.000 1.389 5 H HN 0.556 nan 8.280 nan 0.000 0.511 6 A N 0.641 123.457 122.820 -0.007 0.000 1.865 6 A HA 0.046 4.367 4.320 0.001 0.000 0.217 6 A C 2.624 180.200 177.584 -0.013 0.000 1.191 6 A CA 1.937 53.969 52.037 -0.009 0.000 0.623 6 A CB -0.862 18.132 19.000 -0.009 0.000 0.826 6 A HN 0.735 nan 8.150 nan 0.000 0.444 7 L N 0.034 121.246 121.223 -0.017 0.000 1.990 7 L HA -0.195 4.145 4.340 0.001 0.000 0.213 7 L C 2.275 179.130 176.870 -0.025 0.000 1.072 7 L CA 2.168 56.992 54.840 -0.025 0.000 0.755 7 L CB -0.630 41.412 42.059 -0.028 0.000 0.889 7 L HN 0.413 nan 8.230 nan 0.000 0.432 8 L N -0.676 120.536 121.223 -0.018 0.000 2.131 8 L HA -0.172 4.168 4.340 0.001 0.000 0.210 8 L C 2.839 179.705 176.870 -0.006 0.000 1.092 8 L CA 1.526 56.359 54.840 -0.013 0.000 0.759 8 L CB -0.707 41.348 42.059 -0.006 0.000 0.903 8 L HN 0.400 nan 8.230 nan 0.000 0.435 9 R N 0.494 120.991 120.500 -0.005 0.000 2.092 9 R HA -0.152 4.188 4.340 0.001 0.000 0.231 9 R C 1.032 177.331 176.300 -0.001 0.000 1.119 9 R CA 1.670 57.770 56.100 -0.001 0.000 0.970 9 R CB -0.054 30.246 30.300 -0.002 0.000 0.864 9 R HN 0.293 nan 8.270 nan 0.000 0.440 10 D N 0.521 120.916 120.400 -0.009 0.000 2.336 10 D HA 0.072 4.713 4.640 0.001 0.000 0.229 10 D C 0.149 176.440 176.300 -0.016 0.000 1.061 10 D CA 0.297 54.291 54.000 -0.011 0.000 0.875 10 D CB 0.029 40.818 40.800 -0.017 0.000 0.904 10 D HN 0.278 nan 8.370 nan 0.000 0.525 11 I N 3.673 124.235 120.570 -0.013 0.000 2.581 11 I HA 0.039 4.209 4.170 0.001 0.000 0.285 11 I C -1.713 174.426 176.117 0.037 0.000 1.129 11 I CA -1.361 59.930 61.300 -0.016 0.000 1.397 11 I CB 0.406 38.405 38.000 -0.001 0.000 1.399 11 I HN -0.208 nan 8.210 nan 0.000 0.537 12 P HA 0.189 nan 4.420 nan 0.000 0.275 12 P C -0.604 176.805 177.300 0.182 0.000 1.228 12 P CA -0.411 62.749 63.100 0.099 0.000 0.786 12 P CB 1.059 32.811 31.700 0.087 0.000 0.927 13 A N 4.442 127.329 122.820 0.112 0.000 2.287 13 A HA 0.557 4.878 4.320 0.001 0.000 0.273 13 A C -2.101 175.525 177.584 0.069 0.000 1.091 13 A CA -1.350 50.737 52.037 0.082 0.000 0.817 13 A CB -1.266 17.757 19.000 0.038 0.000 1.069 13 A HN 0.426 nan 8.150 nan 0.000 0.492 14 P HA 0.139 nan 4.420 nan 0.000 0.272 14 P C -0.896 176.398 177.300 -0.010 0.000 1.223 14 P CA -0.158 62.913 63.100 -0.049 0.000 0.784 14 P CB 0.434 32.053 31.700 -0.134 0.000 0.923 15 D N 1.565 121.963 120.400 -0.002 0.000 2.422 15 D HA 0.189 4.829 4.640 0.001 0.000 0.227 15 D C 1.032 177.330 176.300 -0.004 0.000 1.190 15 D CA -0.178 53.825 54.000 0.005 0.000 0.905 15 D CB 0.365 41.173 40.800 0.013 0.000 1.034 15 D HN 0.266 nan 8.370 nan 0.000 0.507 16 A N 4.256 127.074 122.820 -0.003 0.000 2.015 16 A HA -0.156 4.165 4.320 0.001 0.000 0.219 16 A C 1.913 179.500 177.584 0.005 0.000 1.163 16 A CA 0.853 52.888 52.037 -0.003 0.000 0.646 16 A CB -0.242 18.757 19.000 -0.002 0.000 0.806 16 A HN 0.592 nan 8.150 nan 0.000 0.448 17 E N 0.512 120.717 120.200 0.008 0.000 2.047 17 E HA -0.120 4.230 4.350 0.001 0.000 0.191 17 E C 2.195 178.806 176.600 0.018 0.000 0.987 17 E CA 1.257 57.665 56.400 0.014 0.000 0.799 17 E CB -0.318 29.390 29.700 0.014 0.000 0.752 17 E HN 0.462 nan 8.360 nan 0.000 0.449 18 A N 0.874 123.702 122.820 0.012 0.000 1.933 18 A HA -0.136 4.185 4.320 0.001 0.000 0.218 18 A C 2.352 179.945 177.584 0.015 0.000 1.175 18 A CA 1.642 53.686 52.037 0.012 0.000 0.628 18 A CB -0.506 18.493 19.000 -0.003 0.000 0.814 18 A HN 0.284 nan 8.150 nan 0.000 0.444 19 M N -0.594 119.010 119.600 0.007 0.000 2.175 19 M HA -0.120 4.360 4.480 0.001 0.000 0.264 19 M C 2.502 178.824 176.300 0.037 0.000 1.063 19 M CA 1.357 56.663 55.300 0.011 0.000 1.119 19 M CB -0.367 32.231 32.600 -0.004 0.000 1.377 19 M HN 0.476 nan 8.290 nan 0.000 0.415 20 A N 0.448 123.288 122.820 0.033 0.000 1.898 20 A HA -0.128 4.192 4.320 0.001 0.000 0.216 20 A C 2.162 179.783 177.584 0.061 0.000 1.181 20 A CA 1.398 53.458 52.037 0.040 0.000 0.620 20 A CB -0.556 18.461 19.000 0.028 0.000 0.819 20 A HN 0.403 nan 8.150 nan 0.000 0.442 21 R N -1.115 119.425 120.500 0.066 0.000 2.096 21 R HA -0.088 4.252 4.340 0.001 0.000 0.235 21 R C 2.256 178.652 176.300 0.159 0.000 1.127 21 R CA 1.732 57.886 56.100 0.090 0.000 0.968 21 R CB -0.636 29.709 30.300 0.074 0.000 0.861 21 R HN 0.504 nan 8.270 nan 0.000 0.440 22 T N 0.601 115.265 114.554 0.182 0.000 2.737 22 T HA -0.190 4.161 4.350 0.001 0.000 0.265 22 T C 1.710 176.585 174.700 0.292 0.000 1.038 22 T CA 1.482 63.790 62.100 0.346 0.000 1.144 22 T CB -0.127 68.859 68.868 0.197 0.000 0.866 22 T HN 0.174 nan 8.240 nan 0.000 0.434 23 Q N 1.216 121.111 119.800 0.158 0.000 2.061 23 Q HA -0.144 4.196 4.340 0.001 0.000 0.204 23 Q C 2.536 178.585 176.000 0.082 0.000 0.984 23 Q CA 2.690 58.557 55.803 0.107 0.000 0.846 23 Q CB -0.808 27.968 28.738 0.064 0.000 0.902 23 Q HN 0.641 nan 8.270 nan 0.000 0.421 24 Q N -0.012 119.835 119.800 0.079 0.000 2.096 24 Q HA -0.232 4.108 4.340 0.001 0.000 0.204 24 Q C 2.058 178.076 176.000 0.031 0.000 0.982 24 Q CA 1.897 57.728 55.803 0.047 0.000 0.850 24 Q CB -1.371 27.396 28.738 0.049 0.000 0.901 24 Q HN 0.807 nan 8.270 nan 0.000 0.422 25 H N -0.356 118.687 119.070 -0.045 0.000 2.353 25 H HA 0.002 4.559 4.556 0.001 0.000 0.300 25 H C 2.156 177.364 175.328 -0.200 0.000 1.090 25 H CA 1.591 57.540 56.048 -0.165 0.000 1.327 25 H CB 0.030 29.607 29.762 -0.309 0.000 1.383 25 H HN 0.526 nan 8.280 nan 0.000 0.508 26 I N 0.884 121.385 120.570 -0.116 0.000 2.286 26 I HA -0.250 3.921 4.170 0.001 0.000 0.248 26 I C 1.965 178.007 176.117 -0.125 0.000 1.115 26 I CA 1.260 62.489 61.300 -0.118 0.000 1.392 26 I CB -0.216 37.821 38.000 0.060 0.000 1.065 26 I HN 0.187 nan 8.210 nan 0.000 0.418 27 D N 0.753 121.105 120.400 -0.079 0.000 2.219 27 D HA -0.104 4.536 4.640 0.001 0.000 0.205 27 D C 2.071 178.310 176.300 -0.101 0.000 0.970 27 D CA 1.297 55.258 54.000 -0.066 0.000 0.851 27 D CB -0.301 40.479 40.800 -0.033 0.000 0.943 27 D HN 0.388 nan 8.370 nan 0.000 0.488 28 G N -0.195 108.509 108.800 -0.159 0.000 2.985 28 G HA2 0.118 4.078 3.960 0.001 0.000 0.209 28 G HA3 0.118 4.078 3.960 0.001 0.000 0.209 28 G C 0.737 175.512 174.900 -0.210 0.000 1.165 28 G CA -0.206 44.791 45.100 -0.171 0.000 0.776 28 G HN 0.161 nan 8.290 nan 0.000 0.541 29 L N 0.082 121.161 121.223 -0.240 0.000 2.472 29 L HA 0.217 4.558 4.340 0.001 0.000 0.260 29 L C 0.603 177.399 176.870 -0.125 0.000 1.209 29 L CA -1.105 53.605 54.840 -0.216 0.000 0.817 29 L CB 0.770 42.695 42.059 -0.224 0.000 1.106 29 L HN -0.086 nan 8.230 nan 0.000 0.479 30 L N 3.453 124.616 121.223 -0.100 0.000 2.546 30 L HA 0.045 4.386 4.340 0.001 0.000 0.272 30 L C 0.038 176.879 176.870 -0.050 0.000 1.327 30 L CA 0.908 55.709 54.840 -0.065 0.000 1.199 30 L CB -1.814 40.214 42.059 -0.052 0.000 1.401 30 L HN 0.613 nan 8.230 nan 0.000 0.440 31 K N 1.699 122.070 120.400 -0.048 0.000 2.703 31 K HA 0.471 4.792 4.320 0.001 0.000 0.285 31 K C -3.120 173.460 176.600 -0.032 0.000 1.014 31 K CA -1.567 54.699 56.287 -0.035 0.000 0.858 31 K CB 0.296 32.776 32.500 -0.033 0.000 1.467 31 K HN -0.227 nan 8.250 nan 0.000 0.383 32 P HA 0.187 nan 4.420 nan 0.000 0.268 32 P C -2.508 174.780 177.300 -0.020 0.000 1.204 32 P CA -0.810 62.278 63.100 -0.019 0.000 0.768 32 P CB -0.048 31.645 31.700 -0.013 0.000 0.842 33 P HA -0.006 nan 4.420 nan 0.000 0.262 33 P C 1.063 178.358 177.300 -0.009 0.000 1.182 33 P CA 1.480 64.569 63.100 -0.019 0.000 0.761 33 P CB 0.101 31.791 31.700 -0.017 0.000 0.795 34 G N 2.761 111.558 108.800 -0.005 0.000 2.184 34 G HA2 -0.337 3.624 3.960 0.001 0.000 0.264 34 G HA3 -0.337 3.624 3.960 0.001 0.000 0.264 34 G C 1.277 176.181 174.900 0.006 0.000 0.975 34 G CA 0.701 45.803 45.100 0.004 0.000 0.642 34 G HN 0.577 nan 8.290 nan 0.000 0.536 35 S N -0.461 115.239 115.700 0.000 0.000 2.442 35 S HA 0.162 4.633 4.470 0.001 0.000 0.236 35 S C 1.885 176.489 174.600 0.007 0.000 1.007 35 S CA 1.227 59.428 58.200 0.002 0.000 0.965 35 S CB -0.094 63.104 63.200 -0.003 0.000 0.773 35 S HN 0.503 nan 8.310 nan 0.000 0.504 36 L N 1.511 122.739 121.223 0.009 0.000 2.629 36 L HA 0.284 4.625 4.340 0.001 0.000 0.230 36 L C 1.965 178.849 176.870 0.024 0.000 1.151 36 L CA 0.012 54.860 54.840 0.014 0.000 0.924 36 L CB -1.058 41.009 42.059 0.013 0.000 1.137 36 L HN 0.550 nan 8.230 nan 0.000 0.457 37 G N 1.195 110.012 108.800 0.027 0.000 2.700 37 G HA2 -0.482 3.479 3.960 0.001 0.000 0.350 37 G HA3 -0.482 3.479 3.960 0.001 0.000 0.350 37 G C 1.077 176.011 174.900 0.056 0.000 1.250 37 G CA 1.097 46.221 45.100 0.040 0.000 0.978 37 G HN 0.382 nan 8.290 nan 0.000 0.551 38 R N -0.439 120.110 120.500 0.081 0.000 2.241 38 R HA 0.144 4.485 4.340 0.001 0.000 0.224 38 R C 2.626 178.975 176.300 0.082 0.000 1.101 38 R CA 1.193 57.370 56.100 0.127 0.000 0.995 38 R CB -0.376 30.068 30.300 0.239 0.000 0.870 38 R HN 0.366 nan 8.270 nan 0.000 0.463 39 L N 0.837 122.078 121.223 0.030 0.000 2.156 39 L HA -0.090 4.251 4.340 0.001 0.000 0.208 39 L C 1.497 178.386 176.870 0.031 0.000 1.095 39 L CA 1.756 56.593 54.840 -0.006 0.000 0.770 39 L CB -0.165 41.889 42.059 -0.008 0.000 0.914 39 L HN 0.172 nan 8.230 nan 0.000 0.439 40 E N -1.553 118.676 120.200 0.047 0.000 2.047 40 E HA -0.168 4.182 4.350 0.001 0.000 0.191 40 E C 1.935 178.573 176.600 0.065 0.000 0.987 40 E CA 1.615 58.053 56.400 0.063 0.000 0.799 40 E CB -0.218 29.513 29.700 0.052 0.000 0.752 40 E HN 0.436 nan 8.360 nan 0.000 0.449 41 T N 1.970 116.561 114.554 0.062 0.000 2.746 41 T HA -0.151 4.200 4.350 0.001 0.000 0.267 41 T C 1.854 176.590 174.700 0.060 0.000 1.039 41 T CA 0.900 63.037 62.100 0.061 0.000 1.142 41 T CB -0.237 68.675 68.868 0.074 0.000 0.866 41 T HN 0.025 nan 8.240 nan 0.000 0.444 42 L N 1.531 122.797 121.223 0.072 0.000 2.046 42 L HA 0.091 4.432 4.340 0.001 0.000 0.208 42 L C 2.580 179.461 176.870 0.018 0.000 1.077 42 L CA 1.906 56.782 54.840 0.060 0.000 0.747 42 L CB -1.136 40.936 42.059 0.022 0.000 0.896 42 L HN 0.213 nan 8.230 nan 0.000 0.432 43 A N -1.122 121.709 122.820 0.018 0.000 1.908 43 A HA -0.152 4.169 4.320 0.001 0.000 0.218 43 A C 2.261 179.812 177.584 -0.056 0.000 1.181 43 A CA 2.050 54.077 52.037 -0.016 0.000 0.627 43 A CB -1.090 17.956 19.000 0.077 0.000 0.818 43 A HN 0.323 nan 8.150 nan 0.000 0.445 44 V N -0.096 119.819 119.914 0.002 0.000 2.358 44 V HA -0.290 3.831 4.120 0.001 0.000 0.246 44 V C 2.687 178.762 176.094 -0.033 0.000 1.047 44 V CA 2.183 64.480 62.300 -0.005 0.000 1.035 44 V CB -0.788 31.052 31.823 0.029 0.000 0.658 44 V HN 0.760 nan 8.190 nan 0.000 0.452 45 Q N -0.165 119.622 119.800 -0.022 0.000 2.061 45 Q HA -0.223 4.118 4.340 0.001 0.000 0.204 45 Q C 2.286 178.254 176.000 -0.052 0.000 0.984 45 Q CA 1.970 57.751 55.803 -0.038 0.000 0.846 45 Q CB -0.180 28.551 28.738 -0.011 0.000 0.902 45 Q HN 0.604 nan 8.270 nan 0.000 0.421 46 L N 0.158 121.355 121.223 -0.044 0.000 2.083 46 L HA -0.174 4.166 4.340 0.001 0.000 0.209 46 L C 2.556 179.382 176.870 -0.073 0.000 1.083 46 L CA 0.979 55.792 54.840 -0.045 0.000 0.752 46 L CB -0.602 41.423 42.059 -0.056 0.000 0.899 46 L HN 0.287 nan 8.230 nan 0.000 0.433 47 A N 0.176 122.923 122.820 -0.120 0.000 2.019 47 A HA -0.098 4.223 4.320 0.001 0.000 0.219 47 A C 2.272 179.817 177.584 -0.065 0.000 1.164 47 A CA 1.563 53.521 52.037 -0.133 0.000 0.644 47 A CB -0.933 17.963 19.000 -0.173 0.000 0.805 47 A HN 0.457 nan 8.150 nan 0.000 0.449 48 G N -1.224 107.543 108.800 -0.056 0.000 2.813 48 G HA2 0.231 4.191 3.960 0.001 0.000 0.209 48 G HA3 0.231 4.191 3.960 0.001 0.000 0.209 48 G C 0.646 175.534 174.900 -0.021 0.000 1.150 48 G CA -0.216 44.857 45.100 -0.045 0.000 0.785 48 G HN 0.471 nan 8.290 nan 0.000 0.535 49 M N 1.192 120.799 119.600 0.012 0.000 2.193 49 M HA 0.194 4.674 4.480 0.001 0.000 0.342 49 M C -1.684 174.699 176.300 0.139 0.000 1.413 49 M CA -1.603 53.786 55.300 0.147 0.000 1.191 49 M CB 1.688 34.408 32.600 0.201 0.000 1.633 49 M HN -0.152 nan 8.290 nan 0.000 0.458 50 P HA -0.174 nan 4.420 nan 0.000 0.217 50 P C 1.331 178.670 177.300 0.065 0.000 1.148 50 P CA 1.348 64.504 63.100 0.093 0.000 0.834 50 P CB 0.073 31.831 31.700 0.097 0.000 0.783 51 G N -1.203 107.642 108.800 0.075 0.000 2.679 51 G HA2 -0.109 3.851 3.960 0.001 0.000 0.212 51 G HA3 -0.109 3.851 3.960 0.001 0.000 0.212 51 G C 1.083 176.003 174.900 0.033 0.000 1.137 51 G CA 0.123 45.250 45.100 0.044 0.000 0.787 51 G HN 0.271 nan 8.290 nan 0.000 0.534 52 L N 0.067 121.312 121.223 0.036 0.000 2.667 52 L HA 0.176 4.517 4.340 0.001 0.000 0.232 52 L C 0.353 177.223 176.870 -0.000 0.000 1.138 52 L CA -0.237 54.610 54.840 0.012 0.000 0.921 52 L CB -0.201 41.862 42.059 0.007 0.000 1.180 52 L HN 0.150 nan 8.230 nan 0.000 0.487 53 N N 0.603 119.307 118.700 0.006 0.000 2.780 53 N HA -0.185 4.556 4.740 0.001 0.000 0.248 53 N C 1.030 176.539 175.510 -0.002 0.000 1.102 53 N CA 0.867 53.919 53.050 0.003 0.000 0.697 53 N CB -1.730 36.758 38.487 0.001 0.000 1.028 53 N HN 0.561 nan 8.380 nan 0.000 0.554 54 G N -1.404 107.390 108.800 -0.009 0.000 2.168 54 G HA2 -0.314 3.647 3.960 0.001 0.000 0.257 54 G HA3 -0.314 3.647 3.960 0.001 0.000 0.257 54 G C 0.102 174.962 174.900 -0.066 0.000 0.997 54 G CA 1.494 46.581 45.100 -0.022 0.000 0.708 54 G HN 1.071 nan 8.290 nan 0.000 0.520 55 T N -0.433 114.057 114.554 -0.107 0.000 2.853 55 T HA 0.632 4.982 4.350 0.001 0.000 0.311 55 T C -3.121 171.421 174.700 -0.262 0.000 1.307 55 T CA -0.763 61.182 62.100 -0.258 0.000 1.019 55 T CB 2.567 71.394 68.868 -0.069 0.000 1.264 55 T HN -0.013 nan 8.240 nan 0.000 0.497 56 P HA 0.236 nan 4.420 nan 0.000 0.273 56 P C -1.190 176.100 177.300 -0.016 0.000 1.319 56 P CA -0.059 62.891 63.100 -0.249 0.000 0.885 56 P CB -0.230 31.253 31.700 -0.361 0.000 1.015 57 Q N 1.792 121.586 119.800 -0.010 0.000 2.397 57 Q HA 0.729 5.070 4.340 0.001 0.000 0.275 57 Q C -1.605 174.380 176.000 -0.026 0.000 1.090 57 Q CA -1.209 54.591 55.803 -0.005 0.000 0.809 57 Q CB 2.058 30.777 28.738 -0.032 0.000 1.362 57 Q HN 0.055 nan 8.270 nan 0.000 0.431 58 V N 1.883 121.775 119.914 -0.036 0.000 2.577 58 V HA 0.663 4.783 4.120 0.001 0.000 0.303 58 V C 0.097 176.156 176.094 -0.057 0.000 1.042 58 V CA 0.011 62.285 62.300 -0.044 0.000 0.872 58 V CB 1.217 33.021 31.823 -0.031 0.000 0.998 58 V HN 1.014 nan 8.190 nan 0.000 0.423 59 G N 3.174 111.931 108.800 -0.071 0.000 3.374 59 G HA2 0.333 4.293 3.960 0.001 0.000 0.200 59 G HA3 0.333 4.293 3.960 0.001 0.000 0.200 59 G C -0.079 174.775 174.900 -0.076 0.000 1.801 59 G CA -0.167 44.891 45.100 -0.070 0.000 0.842 59 G HN 0.534 nan 8.290 nan 0.000 0.688 60 E N 0.766 120.912 120.200 -0.091 0.000 2.374 60 E HA 0.407 4.757 4.350 0.001 0.000 0.260 60 E C -0.623 175.896 176.600 -0.135 0.000 1.101 60 E CA 0.183 56.529 56.400 -0.089 0.000 0.907 60 E CB 1.476 31.129 29.700 -0.078 0.000 1.014 60 E HN 0.231 nan 8.360 nan 0.000 0.427 61 K N 0.228 120.567 120.400 -0.101 0.000 2.316 61 K HA 0.726 5.046 4.320 0.001 0.000 0.251 61 K C -1.049 175.512 176.600 -0.064 0.000 0.934 61 K CA -0.695 55.523 56.287 -0.115 0.000 0.802 61 K CB 2.253 34.720 32.500 -0.055 0.000 1.171 61 K HN 0.492 nan 8.250 nan 0.000 0.426 62 A N 1.687 124.456 122.820 -0.085 0.000 2.486 62 A HA 0.624 4.944 4.320 0.001 0.000 0.300 62 A C -1.328 176.340 177.584 0.139 0.000 1.048 62 A CA -0.707 51.368 52.037 0.064 0.000 0.696 62 A CB 1.405 20.417 19.000 0.020 0.000 1.278 62 A HN 0.379 nan 8.150 nan 0.000 0.405 63 V N 2.825 122.856 119.914 0.195 0.000 2.384 63 V HA 0.402 4.523 4.120 0.001 0.000 0.287 63 V C -0.908 175.315 176.094 0.215 0.000 1.020 63 V CA -0.408 62.000 62.300 0.180 0.000 0.850 63 V CB 1.099 33.003 31.823 0.135 0.000 0.987 63 V HN 0.700 nan 8.190 nan 0.000 0.436 64 L N 6.176 127.514 121.223 0.191 0.000 2.272 64 L HA 0.513 4.853 4.340 0.001 0.000 0.289 64 L C -0.100 176.841 176.870 0.118 0.000 1.032 64 L CA 0.072 55.015 54.840 0.172 0.000 0.810 64 L CB 1.704 43.846 42.059 0.138 0.000 1.205 64 L HN 0.418 nan 8.230 nan 0.000 0.422 65 V N 4.741 124.719 119.914 0.107 0.000 2.347 65 V HA 0.448 4.569 4.120 0.001 0.000 0.280 65 V C 0.108 176.230 176.094 0.047 0.000 1.021 65 V CA -0.706 61.638 62.300 0.074 0.000 0.847 65 V CB 1.407 33.273 31.823 0.071 0.000 0.990 65 V HN 0.565 nan 8.190 nan 0.000 0.444 66 M N 4.486 124.110 119.600 0.041 0.000 2.084 66 M HA 0.377 4.858 4.480 0.001 0.000 0.351 66 M C -0.512 175.814 176.300 0.043 0.000 1.240 66 M CA -0.086 55.231 55.300 0.028 0.000 1.083 66 M CB 0.568 33.187 32.600 0.031 0.000 1.593 66 M HN 0.552 nan 8.290 nan 0.000 0.463 67 C N 3.049 122.367 119.300 0.030 0.000 2.351 67 C HA 1.001 5.461 4.460 0.001 0.000 0.326 67 C C 0.326 175.338 174.990 0.038 0.000 1.272 67 C CA -0.673 58.368 59.018 0.039 0.000 1.650 67 C CB 0.728 28.481 27.740 0.022 0.000 2.257 67 C HN 0.976 nan 8.230 nan 0.000 0.505 68 A N 2.507 125.354 122.820 0.044 0.000 2.608 68 A HA 0.722 5.043 4.320 0.001 0.000 0.292 68 A C -1.747 175.790 177.584 -0.077 0.000 1.066 68 A CA -0.441 51.599 52.037 0.005 0.000 0.676 68 A CB 1.005 20.027 19.000 0.037 0.000 1.277 68 A HN 0.747 nan 8.150 nan 0.000 0.413 69 D N 0.536 120.865 120.400 -0.120 0.000 2.326 69 D HA 0.536 5.177 4.640 0.001 0.000 0.251 69 D C -0.898 175.203 176.300 -0.333 0.000 1.023 69 D CA 0.071 54.009 54.000 -0.103 0.000 0.966 69 D CB 0.935 41.702 40.800 -0.056 0.000 1.156 69 D HN 0.548 nan 8.370 nan 0.000 0.494 70 H N -0.560 118.514 119.070 0.007 0.000 2.600 70 H HA 0.252 4.808 4.556 0.001 0.000 0.357 70 H C 0.880 176.242 175.328 0.055 0.000 1.106 70 H CA -0.621 55.425 56.048 -0.003 0.000 1.193 70 H CB 2.173 31.951 29.762 0.027 0.000 1.594 70 H HN 0.574 nan 8.280 nan 0.000 0.526 71 G N 1.487 110.349 108.800 0.104 0.000 2.443 71 G HA2 -0.194 3.766 3.960 0.001 0.000 0.219 71 G HA3 -0.194 3.766 3.960 0.001 0.000 0.219 71 G C 1.431 176.423 174.900 0.152 0.000 1.131 71 G CA 0.577 45.742 45.100 0.108 0.000 0.775 71 G HN 0.454 nan 8.290 nan 0.000 0.547 72 V N -0.154 119.845 119.914 0.141 0.000 3.026 72 V HA -0.056 4.065 4.120 0.001 0.000 0.265 72 V C 2.063 178.223 176.094 0.111 0.000 1.121 72 V CA 1.439 63.796 62.300 0.094 0.000 1.142 72 V CB -0.399 31.451 31.823 0.045 0.000 0.730 72 V HN 0.638 nan 8.190 nan 0.000 0.503 73 W N 0.942 122.259 121.300 0.028 0.000 2.350 73 W HA -0.192 4.468 4.660 0.001 0.000 0.289 73 W C 1.861 178.387 176.519 0.012 0.000 1.215 73 W CA 1.776 59.134 57.345 0.021 0.000 1.236 73 W CB -0.033 29.451 29.460 0.039 0.000 1.130 73 W HN 0.348 nan 8.180 nan 0.000 0.541 74 D N 0.204 120.760 120.400 0.261 0.000 2.351 74 D HA -0.145 4.496 4.640 0.001 0.000 0.216 74 D C 1.481 177.750 176.300 -0.052 0.000 0.968 74 D CA 1.048 55.131 54.000 0.138 0.000 0.899 74 D CB -0.306 40.597 40.800 0.171 0.000 0.907 74 D HN 0.314 nan 8.370 nan 0.000 0.514 75 E N -0.076 120.071 120.200 -0.087 0.000 2.494 75 E HA 0.116 4.467 4.350 0.001 0.000 0.193 75 E C 1.281 177.774 176.600 -0.178 0.000 1.074 75 E CA 0.146 56.485 56.400 -0.103 0.000 0.867 75 E CB 0.049 29.709 29.700 -0.066 0.000 0.924 75 E HN 0.267 nan 8.360 nan 0.000 0.502 76 G N 1.567 110.174 108.800 -0.321 0.000 2.176 76 G HA2 -0.320 3.640 3.960 0.001 0.000 0.252 76 G HA3 -0.320 3.640 3.960 0.001 0.000 0.252 76 G C 1.014 175.734 174.900 -0.301 0.000 1.024 76 G CA 0.564 45.444 45.100 -0.367 0.000 0.755 76 G HN 0.343 nan 8.290 nan 0.000 0.507 77 V N -3.784 115.953 119.914 -0.296 0.000 3.541 77 V HA 0.714 4.835 4.120 0.001 0.000 0.267 77 V C 1.049 177.029 176.094 -0.190 0.000 1.213 77 V CA 1.144 63.328 62.300 -0.193 0.000 1.149 77 V CB 0.070 31.816 31.823 -0.128 0.000 0.822 77 V HN 1.878 nan 8.190 nan 0.000 0.462 78 A N 0.244 122.880 122.820 -0.305 0.000 2.398 78 A HA 0.691 5.012 4.320 0.001 0.000 0.301 78 A C 0.292 177.778 177.584 -0.163 0.000 1.041 78 A CA 0.178 52.110 52.037 -0.174 0.000 0.711 78 A CB 2.071 21.053 19.000 -0.031 0.000 1.240 78 A HN 0.931 nan 8.150 nan 0.000 0.420 79 V N -0.059 119.835 119.914 -0.034 0.000 3.406 79 V HA 0.129 4.250 4.120 0.001 0.000 0.263 79 V C 0.732 176.902 176.094 0.128 0.000 1.172 79 V CA 0.964 63.272 62.300 0.014 0.000 1.140 79 V CB -0.632 31.194 31.823 0.004 0.000 0.784 79 V HN 0.548 nan 8.190 nan 0.000 0.467 80 S N 2.412 118.225 115.700 0.189 0.000 2.548 80 S HA 0.423 4.893 4.470 0.001 0.000 0.277 80 S C -2.256 172.564 174.600 0.366 0.000 1.315 80 S CA -0.411 57.919 58.200 0.216 0.000 1.050 80 S CB 0.813 64.117 63.200 0.173 0.000 0.918 80 S HN 0.349 nan 8.310 nan 0.000 0.497 81 P HA 0.103 nan 4.420 nan 0.000 0.266 81 P C 0.644 177.903 177.300 -0.068 0.000 1.195 81 P CA -0.203 62.996 63.100 0.165 0.000 0.768 81 P CB 0.502 32.243 31.700 0.068 0.000 0.838 82 K N 3.230 123.307 120.400 -0.538 0.000 2.103 82 K HA -0.137 4.184 4.320 0.001 0.000 0.207 82 K C 1.651 178.043 176.600 -0.347 0.000 1.048 82 K CA 1.099 56.919 56.287 -0.780 0.000 0.930 82 K CB -0.375 31.350 32.500 -1.292 0.000 0.716 82 K HN 0.412 nan 8.250 nan 0.000 0.444 83 I N 0.659 121.083 120.570 -0.242 0.000 2.700 83 I HA -0.206 3.965 4.170 0.001 0.000 0.261 83 I C 1.314 177.384 176.117 -0.078 0.000 1.219 83 I CA 0.588 61.806 61.300 -0.137 0.000 1.463 83 I CB 0.187 38.127 38.000 -0.100 0.000 1.092 83 I HN -0.007 nan 8.210 nan 0.000 0.452 84 V N 0.928 120.808 119.914 -0.057 0.000 2.568 84 V HA -0.300 3.821 4.120 0.001 0.000 0.253 84 V C 2.365 178.452 176.094 -0.011 0.000 1.072 84 V CA 2.381 64.673 62.300 -0.015 0.000 1.084 84 V CB -1.087 30.747 31.823 0.019 0.000 0.676 84 V HN 0.526 nan 8.190 nan 0.000 0.469 85 T N 0.476 115.016 114.554 -0.023 0.000 2.708 85 T HA -0.182 4.169 4.350 0.001 0.000 0.266 85 T C 2.083 176.777 174.700 -0.010 0.000 1.037 85 T CA 1.685 63.783 62.100 -0.004 0.000 1.146 85 T CB -0.408 68.458 68.868 -0.005 0.000 0.865 85 T HN 0.596 nan 8.240 nan 0.000 0.435 86 A N 0.912 123.715 122.820 -0.028 0.000 1.930 86 A HA 0.032 4.352 4.320 0.001 0.000 0.217 86 A C 2.307 179.880 177.584 -0.017 0.000 1.175 86 A CA 1.063 53.085 52.037 -0.026 0.000 0.627 86 A CB -0.718 18.259 19.000 -0.038 0.000 0.815 86 A HN 0.516 nan 8.150 nan 0.000 0.443 87 I N -0.953 119.608 120.570 -0.017 0.000 2.202 87 I HA -0.232 3.938 4.170 0.001 0.000 0.242 87 I C 2.730 178.846 176.117 -0.001 0.000 1.091 87 I CA 1.133 62.428 61.300 -0.009 0.000 1.368 87 I CB -0.318 37.677 38.000 -0.008 0.000 1.058 87 I HN 0.288 nan 8.210 nan 0.000 0.410 88 Q N 0.620 120.423 119.800 0.004 0.000 2.167 88 Q HA -0.113 4.227 4.340 0.001 0.000 0.202 88 Q C 2.367 178.373 176.000 0.011 0.000 0.970 88 Q CA 1.705 57.514 55.803 0.011 0.000 0.855 88 Q CB -0.308 28.442 28.738 0.019 0.000 0.911 88 Q HN 0.551 nan 8.270 nan 0.000 0.438 89 A N 0.575 123.399 122.820 0.007 0.000 1.933 89 A HA -0.081 4.240 4.320 0.001 0.000 0.218 89 A C 2.269 179.854 177.584 0.002 0.000 1.175 89 A CA 1.798 53.839 52.037 0.007 0.000 0.628 89 A CB -0.579 18.422 19.000 0.002 0.000 0.814 89 A HN 0.361 nan 8.150 nan 0.000 0.444 90 A N 0.299 123.118 122.820 -0.002 0.000 1.898 90 A HA -0.170 4.150 4.320 0.001 0.000 0.216 90 A C 1.869 179.453 177.584 -0.001 0.000 1.181 90 A CA 1.647 53.682 52.037 -0.003 0.000 0.620 90 A CB -0.592 18.405 19.000 -0.006 0.000 0.819 90 A HN 0.532 nan 8.150 nan 0.000 0.442 91 N N -0.071 118.631 118.700 0.002 0.000 2.289 91 N HA -0.108 4.632 4.740 0.001 0.000 0.184 91 N C 1.587 177.101 175.510 0.006 0.000 1.016 91 N CA 1.316 54.369 53.050 0.004 0.000 0.872 91 N CB -0.404 38.087 38.487 0.007 0.000 0.973 91 N HN 0.438 nan 8.380 nan 0.000 0.433 92 M N 0.375 119.980 119.600 0.008 0.000 2.267 92 M HA -0.079 4.402 4.480 0.001 0.000 0.263 92 M C 1.714 178.017 176.300 0.004 0.000 1.063 92 M CA 1.268 56.575 55.300 0.011 0.000 1.090 92 M CB -1.188 31.422 32.600 0.017 0.000 1.392 92 M HN 0.227 nan 8.290 nan 0.000 0.422 93 T N -2.867 111.686 114.554 -0.001 0.000 3.100 93 T HA 0.068 4.419 4.350 0.001 0.000 0.253 93 T C 1.633 176.329 174.700 -0.007 0.000 1.118 93 T CA 0.289 62.384 62.100 -0.008 0.000 1.058 93 T CB -0.077 68.786 68.868 -0.009 0.000 0.953 93 T HN 0.385 nan 8.240 nan 0.000 0.515 94 R N 0.155 120.653 120.500 -0.003 0.000 2.334 94 R HA 0.412 4.752 4.340 0.001 0.000 0.212 94 R C 1.722 178.021 176.300 -0.001 0.000 0.897 94 R CA 0.363 56.461 56.100 -0.003 0.000 1.056 94 R CB 0.329 30.629 30.300 -0.001 0.000 1.046 94 R HN 0.461 nan 8.270 nan 0.000 0.513 95 G N 1.078 109.878 108.800 0.001 0.000 2.148 95 G HA2 -0.318 3.642 3.960 0.001 0.000 0.254 95 G HA3 -0.318 3.642 3.960 0.001 0.000 0.254 95 G C 0.808 175.712 174.900 0.006 0.000 0.981 95 G CA 0.886 45.988 45.100 0.003 0.000 0.670 95 G HN 0.449 nan 8.290 nan 0.000 0.528 96 T N -1.742 112.815 114.554 0.006 0.000 3.060 96 T HA 0.378 4.729 4.350 0.001 0.000 0.249 96 T C 1.364 176.070 174.700 0.010 0.000 1.079 96 T CA 1.234 63.339 62.100 0.008 0.000 1.013 96 T CB 0.274 69.146 68.868 0.007 0.000 0.975 96 T HN 1.258 nan 8.240 nan 0.000 0.518 97 T N -1.293 113.269 114.554 0.013 0.000 2.816 97 T HA 0.558 4.908 4.350 0.001 0.000 0.282 97 T C 1.798 176.508 174.700 0.016 0.000 0.993 97 T CA -0.073 62.036 62.100 0.016 0.000 0.994 97 T CB 1.009 69.888 68.868 0.019 0.000 1.025 97 T HN 0.087 nan 8.240 nan 0.000 0.529 98 G N -0.047 108.764 108.800 0.017 0.000 2.446 98 G HA2 -0.178 3.783 3.960 0.001 0.000 0.217 98 G HA3 -0.178 3.783 3.960 0.001 0.000 0.217 98 G C 1.477 176.387 174.900 0.017 0.000 1.168 98 G CA 1.144 46.254 45.100 0.015 0.000 0.771 98 G HN 0.838 nan 8.290 nan 0.000 0.551 99 V N -0.175 119.753 119.914 0.024 0.000 2.358 99 V HA -0.179 3.942 4.120 0.001 0.000 0.246 99 V C 2.864 178.976 176.094 0.029 0.000 1.047 99 V CA 1.459 63.777 62.300 0.030 0.000 1.035 99 V CB -1.435 30.413 31.823 0.042 0.000 0.658 99 V HN 0.416 nan 8.190 nan 0.000 0.452 100 C N 0.212 119.527 119.300 0.025 0.000 2.413 100 C HA -0.116 4.345 4.460 0.001 0.000 0.276 100 C C 2.907 177.908 174.990 0.017 0.000 1.236 100 C CA 1.279 60.309 59.018 0.021 0.000 1.735 100 C CB -0.971 26.778 27.740 0.015 0.000 2.031 100 C HN 0.475 nan 8.230 nan 0.000 0.474 101 V N 0.777 120.700 119.914 0.015 0.000 2.343 101 V HA -0.202 3.919 4.120 0.001 0.000 0.247 101 V C 2.272 178.374 176.094 0.014 0.000 1.051 101 V CA 1.813 64.120 62.300 0.012 0.000 1.036 101 V CB -0.573 31.257 31.823 0.011 0.000 0.654 101 V HN 0.557 nan 8.190 nan 0.000 0.451 102 L N -0.218 121.014 121.223 0.015 0.000 2.156 102 L HA -0.042 4.299 4.340 0.001 0.000 0.208 102 L C 2.675 179.558 176.870 0.021 0.000 1.095 102 L CA 1.227 56.076 54.840 0.016 0.000 0.770 102 L CB -0.711 41.356 42.059 0.013 0.000 0.914 102 L HN 0.349 nan 8.230 nan 0.000 0.439 103 A N 0.228 123.063 122.820 0.026 0.000 1.898 103 A HA -0.106 4.215 4.320 0.001 0.000 0.216 103 A C 2.552 180.149 177.584 0.022 0.000 1.181 103 A CA 1.490 53.546 52.037 0.031 0.000 0.620 103 A CB -0.572 18.453 19.000 0.041 0.000 0.819 103 A HN 0.363 nan 8.150 nan 0.000 0.442 104 A N -0.923 121.907 122.820 0.018 0.000 1.908 104 A HA -0.232 4.089 4.320 0.001 0.000 0.218 104 A C 2.134 179.724 177.584 0.011 0.000 1.181 104 A CA 2.139 54.184 52.037 0.012 0.000 0.627 104 A CB -0.519 18.486 19.000 0.009 0.000 0.818 104 A HN 0.513 nan 8.150 nan 0.000 0.445 105 Q N -0.475 119.332 119.800 0.012 0.000 2.170 105 Q HA 0.023 4.363 4.340 0.001 0.000 0.203 105 Q C 1.845 177.852 176.000 0.011 0.000 0.976 105 Q CA 1.776 57.585 55.803 0.011 0.000 0.858 105 Q CB -0.461 28.284 28.738 0.012 0.000 0.907 105 Q HN 0.597 nan 8.270 nan 0.000 0.433 106 A N -1.342 121.487 122.820 0.014 0.000 2.218 106 A HA 0.410 4.731 4.320 0.001 0.000 0.209 106 A C 1.384 178.973 177.584 0.008 0.000 1.168 106 A CA 0.671 52.716 52.037 0.013 0.000 0.804 106 A CB -0.455 18.557 19.000 0.019 0.000 0.834 106 A HN 0.537 nan 8.150 nan 0.000 0.482 107 G N -1.720 107.085 108.800 0.008 0.000 2.160 107 G HA2 0.108 4.069 3.960 0.001 0.000 0.244 107 G HA3 0.108 4.069 3.960 0.001 0.000 0.244 107 G C 0.288 175.191 174.900 0.005 0.000 1.022 107 G CA 0.452 45.554 45.100 0.004 0.000 0.741 107 G HN 1.556 nan 8.290 nan 0.000 0.508 108 A N -1.004 121.825 122.820 0.014 0.000 2.306 108 A HA 1.024 5.344 4.320 0.001 0.000 0.330 108 A C 0.286 177.894 177.584 0.040 0.000 1.146 108 A CA 0.731 52.783 52.037 0.024 0.000 0.827 108 A CB 1.115 20.134 19.000 0.033 0.000 1.178 108 A HN 1.705 nan 8.150 nan 0.000 0.490 109 K N 0.363 120.804 120.400 0.068 0.000 2.138 109 K HA 0.666 4.987 4.320 0.001 0.000 0.263 109 K C -0.764 175.919 176.600 0.139 0.000 0.965 109 K CA -0.538 55.790 56.287 0.068 0.000 0.868 109 K CB 1.314 33.846 32.500 0.053 0.000 1.083 109 K HN 0.910 nan 8.250 nan 0.000 0.443 110 V N 3.967 123.921 119.914 0.068 0.000 2.394 110 V HA 0.316 4.437 4.120 0.001 0.000 0.282 110 V C -0.231 175.898 176.094 0.057 0.000 1.031 110 V CA -0.777 61.591 62.300 0.113 0.000 0.881 110 V CB 0.872 32.733 31.823 0.063 0.000 0.982 110 V HN 0.895 nan 8.190 nan 0.000 0.451 111 H N 3.396 122.524 119.070 0.097 0.000 2.541 111 H HA 0.433 4.989 4.556 0.001 0.000 0.316 111 H C -0.869 174.500 175.328 0.069 0.000 1.043 111 H CA -0.543 55.572 56.048 0.112 0.000 1.232 111 H CB 2.091 31.977 29.762 0.206 0.000 1.406 111 H HN 0.417 nan 8.280 nan 0.000 0.469 112 V N 6.463 126.441 119.914 0.106 0.000 2.383 112 V HA 0.252 4.373 4.120 0.001 0.000 0.275 112 V C 0.476 176.580 176.094 0.016 0.000 1.036 112 V CA -0.403 61.929 62.300 0.054 0.000 0.889 112 V CB 0.853 32.691 31.823 0.025 0.000 0.985 112 V HN 0.576 nan 8.190 nan 0.000 0.459 113 I N 3.692 124.256 120.570 -0.011 0.000 2.389 113 I HA 0.369 4.539 4.170 0.001 0.000 0.288 113 I C -0.546 175.535 176.117 -0.060 0.000 0.999 113 I CA -0.475 60.779 61.300 -0.078 0.000 1.129 113 I CB 1.968 39.876 38.000 -0.154 0.000 1.288 113 I HN 0.496 nan 8.210 nan 0.000 0.444 114 D N 6.388 126.747 120.400 -0.069 0.000 2.380 114 D HA 0.183 4.824 4.640 0.001 0.000 0.230 114 D C 0.647 176.897 176.300 -0.084 0.000 1.154 114 D CA -0.281 53.685 54.000 -0.057 0.000 0.859 114 D CB 1.543 42.311 40.800 -0.052 0.000 1.045 114 D HN 0.377 nan 8.370 nan 0.000 0.495 115 V N 1.558 121.432 119.914 -0.066 0.000 3.578 115 V HA 0.562 4.683 4.120 0.001 0.000 0.290 115 V C 0.958 176.957 176.094 -0.159 0.000 1.376 115 V CA 0.363 62.595 62.300 -0.114 0.000 1.083 115 V CB 0.266 32.054 31.823 -0.058 0.000 0.911 115 V HN 0.616 nan 8.190 nan 0.000 0.433 116 G N 0.663 109.436 108.800 -0.044 0.000 4.154 116 G HA2 0.188 4.148 3.960 0.001 0.000 0.228 116 G HA3 0.188 4.148 3.960 0.001 0.000 0.228 116 G C -0.436 174.509 174.900 0.075 0.000 2.157 116 G CA -0.591 44.535 45.100 0.042 0.000 1.088 116 G HN 0.323 nan 8.290 nan 0.000 0.506 117 I N 0.850 121.425 120.570 0.009 0.000 2.529 117 I HA 0.158 4.329 4.170 0.001 0.000 0.284 117 I C 0.105 176.214 176.117 -0.013 0.000 1.082 117 I CA -0.243 61.054 61.300 -0.006 0.000 1.406 117 I CB 1.199 39.189 38.000 -0.017 0.000 1.405 117 I HN 0.052 nan 8.210 nan 0.000 0.548 118 D N 6.305 126.688 120.400 -0.028 0.000 2.619 118 D HA 0.531 5.172 4.640 0.001 0.000 0.224 118 D C -0.490 175.782 176.300 -0.048 0.000 1.133 118 D CA 0.162 54.142 54.000 -0.035 0.000 1.017 118 D CB 0.007 40.776 40.800 -0.051 0.000 1.077 118 D HN 0.635 nan 8.370 nan 0.000 0.503 119 A N 2.029 124.826 122.820 -0.037 0.000 2.540 119 A HA 0.414 4.735 4.320 0.001 0.000 0.291 119 A C -0.476 177.090 177.584 -0.031 0.000 1.083 119 A CA -0.856 51.159 52.037 -0.038 0.000 0.650 119 A CB 0.706 19.681 19.000 -0.042 0.000 1.292 119 A HN 0.240 nan 8.150 nan 0.000 0.435 120 E N 0.678 120.861 120.200 -0.028 0.000 2.408 120 E HA 0.317 4.667 4.350 0.001 0.000 0.259 120 E C -2.187 174.398 176.600 -0.026 0.000 1.110 120 E CA -1.208 55.177 56.400 -0.025 0.000 0.929 120 E CB -0.006 29.681 29.700 -0.022 0.000 0.971 120 E HN 0.331 nan 8.360 nan 0.000 0.438 121 P HA -0.023 nan 4.420 nan 0.000 0.265 121 P C -0.747 176.540 177.300 -0.022 0.000 1.187 121 P CA 0.670 63.754 63.100 -0.027 0.000 0.766 121 P CB 0.352 32.036 31.700 -0.026 0.000 0.820 122 I N 5.020 125.577 120.570 -0.022 0.000 2.339 122 I HA 0.272 4.443 4.170 0.001 0.000 0.290 122 I C -2.056 174.052 176.117 -0.016 0.000 0.994 122 I CA -2.565 58.724 61.300 -0.018 0.000 1.191 122 I CB 1.427 39.417 38.000 -0.016 0.000 1.343 122 I HN 0.156 nan 8.210 nan 0.000 0.458 123 P HA 0.122 nan 4.420 nan 0.000 0.266 123 P C 0.845 178.139 177.300 -0.010 0.000 1.195 123 P CA 0.536 63.629 63.100 -0.011 0.000 0.768 123 P CB 0.717 32.412 31.700 -0.009 0.000 0.838 124 G N 0.783 109.578 108.800 -0.008 0.000 2.217 124 G HA2 -0.201 3.759 3.960 0.001 0.000 0.246 124 G HA3 -0.201 3.759 3.960 0.001 0.000 0.246 124 G C 0.023 174.918 174.900 -0.008 0.000 0.990 124 G CA -0.083 45.012 45.100 -0.008 0.000 0.627 124 G HN 0.543 nan 8.290 nan 0.000 0.522 125 V N 1.732 121.640 119.914 -0.011 0.000 2.472 125 V HA 0.555 4.675 4.120 0.001 0.000 0.290 125 V C 1.084 177.165 176.094 -0.021 0.000 1.037 125 V CA -0.764 61.528 62.300 -0.013 0.000 0.908 125 V CB 1.869 33.681 31.823 -0.017 0.000 0.985 125 V HN 0.311 nan 8.190 nan 0.000 0.454 126 V N 4.262 124.159 119.914 -0.029 0.000 2.540 126 V HA 0.048 4.168 4.120 0.001 0.000 0.297 126 V C 0.616 176.659 176.094 -0.085 0.000 1.024 126 V CA -0.036 62.229 62.300 -0.058 0.000 1.105 126 V CB 0.475 32.221 31.823 -0.128 0.000 0.938 126 V HN 0.890 nan 8.190 nan 0.000 0.482 127 N N 5.941 124.598 118.700 -0.071 0.000 2.437 127 N HA 0.372 5.113 4.740 0.001 0.000 0.243 127 N C -0.201 175.248 175.510 -0.100 0.000 1.041 127 N CA -0.104 52.900 53.050 -0.077 0.000 0.940 127 N CB 0.785 39.240 38.487 -0.054 0.000 1.133 127 N HN 0.691 nan 8.380 nan 0.000 0.506 128 M N 2.874 122.399 119.600 -0.125 0.000 3.017 128 M HA 0.213 4.694 4.480 0.001 0.000 0.423 128 M C -0.309 175.891 176.300 -0.167 0.000 1.395 128 M CA -0.434 54.782 55.300 -0.141 0.000 0.816 128 M CB 0.644 33.145 32.600 -0.164 0.000 1.440 128 M HN 0.148 nan 8.290 nan 0.000 0.506 129 R N 0.480 120.888 120.500 -0.154 0.000 2.473 129 R HA 0.086 4.427 4.340 0.001 0.000 0.315 129 R C 0.981 177.119 176.300 -0.271 0.000 0.972 129 R CA -0.243 55.741 56.100 -0.193 0.000 1.047 129 R CB 0.523 30.745 30.300 -0.131 0.000 0.932 129 R HN 0.119 nan 8.270 nan 0.000 0.411 130 V N 2.080 121.703 119.914 -0.485 0.000 2.346 130 V HA -0.025 4.095 4.120 0.001 0.000 0.244 130 V C 0.982 176.830 176.094 -0.409 0.000 1.037 130 V CA 2.077 64.024 62.300 -0.588 0.000 1.029 130 V CB -0.390 30.727 31.823 -1.178 0.000 0.663 130 V HN 0.961 nan 8.190 nan 0.000 0.454 131 A N -1.257 121.342 122.820 -0.368 0.000 2.564 131 A HA 0.587 4.908 4.320 0.001 0.000 0.291 131 A C -0.567 177.036 177.584 0.031 0.000 1.102 131 A CA -0.764 51.231 52.037 -0.070 0.000 0.660 131 A CB 0.754 19.803 19.000 0.083 0.000 1.283 131 A HN 0.099 nan 8.150 nan 0.000 0.430 132 R N 0.795 121.325 120.500 0.051 0.000 2.893 132 R HA 0.435 4.775 4.340 0.001 0.000 0.243 132 R C 0.493 176.840 176.300 0.079 0.000 1.481 132 R CA 1.102 57.228 56.100 0.044 0.000 1.250 132 R CB -0.315 29.992 30.300 0.011 0.000 1.213 132 R HN 1.887 nan 8.270 nan 0.000 0.609 133 G N 1.061 109.946 108.800 0.141 0.000 2.716 133 G HA2 -0.244 3.717 3.960 0.001 0.000 0.686 133 G HA3 -0.244 3.717 3.960 0.001 0.000 0.686 133 G C 0.106 175.048 174.900 0.071 0.000 1.337 133 G CA -0.613 44.527 45.100 0.066 0.000 0.829 133 G HN 0.706 nan 8.290 nan 0.000 0.599 134 C N 0.999 120.106 119.300 -0.322 0.000 2.345 134 C HA 0.978 5.439 4.460 0.001 0.000 0.369 134 C C 1.594 176.466 174.990 -0.197 0.000 1.273 134 C CA 0.027 58.721 59.018 -0.540 0.000 2.310 134 C CB 0.795 27.857 27.740 -1.131 0.000 2.219 134 C HN 2.271 nan 8.230 nan 0.000 0.587 135 G N 0.974 109.691 108.800 -0.138 0.000 2.554 135 G HA2 0.239 4.200 3.960 0.001 0.000 0.238 135 G HA3 0.239 4.200 3.960 0.001 0.000 0.238 135 G C 0.029 174.906 174.900 -0.039 0.000 1.259 135 G CA -0.170 44.900 45.100 -0.051 0.000 0.843 135 G HN 1.007 nan 8.290 nan 0.000 0.582 136 N N 1.187 119.886 118.700 -0.001 0.000 2.406 136 N HA -0.022 4.719 4.740 0.001 0.000 0.265 136 N C 1.834 177.345 175.510 0.002 0.000 1.203 136 N CA -0.527 52.534 53.050 0.018 0.000 0.945 136 N CB 0.261 38.766 38.487 0.030 0.000 1.165 136 N HN 0.484 nan 8.380 nan 0.000 0.485 137 I N 1.178 121.747 120.570 -0.002 0.000 2.700 137 I HA -0.120 4.051 4.170 0.001 0.000 0.261 137 I C 1.537 177.646 176.117 -0.013 0.000 1.219 137 I CA 0.978 62.270 61.300 -0.013 0.000 1.463 137 I CB -0.296 37.694 38.000 -0.017 0.000 1.092 137 I HN 0.375 nan 8.210 nan 0.000 0.452 138 A N 1.610 124.425 122.820 -0.008 0.000 2.067 138 A HA 0.000 4.321 4.320 0.001 0.000 0.219 138 A C 2.178 179.756 177.584 -0.010 0.000 1.158 138 A CA 1.782 53.812 52.037 -0.012 0.000 0.661 138 A CB -0.542 18.451 19.000 -0.012 0.000 0.801 138 A HN 0.589 nan 8.150 nan 0.000 0.452 139 V N -5.507 114.403 119.914 -0.006 0.000 3.432 139 V HA 0.658 4.779 4.120 0.001 0.000 0.298 139 V C 0.592 176.682 176.094 -0.006 0.000 1.464 139 V CA 0.479 62.776 62.300 -0.005 0.000 1.046 139 V CB -0.350 31.473 31.823 -0.000 0.000 0.887 139 V HN 0.937 nan 8.190 nan 0.000 0.441 140 G N 0.515 109.309 108.800 -0.009 0.000 2.340 140 G HA2 0.454 4.414 3.960 0.001 0.000 0.299 140 G HA3 0.454 4.414 3.960 0.001 0.000 0.299 140 G C -3.543 171.348 174.900 -0.015 0.000 1.291 140 G CA -0.256 44.839 45.100 -0.010 0.000 0.841 140 G HN 0.085 nan 8.290 nan 0.000 0.500 141 P HA 0.391 nan 4.420 nan 0.000 0.276 141 P C 0.782 178.064 177.300 -0.031 0.000 1.244 141 P CA 0.628 63.715 63.100 -0.020 0.000 0.801 141 P CB 1.821 33.514 31.700 -0.011 0.000 1.006 142 A N 3.299 126.087 122.820 -0.053 0.000 1.969 142 A HA 0.032 4.353 4.320 0.001 0.000 0.218 142 A C 1.369 178.887 177.584 -0.110 0.000 1.169 142 A CA 1.697 53.664 52.037 -0.116 0.000 0.635 142 A CB -0.712 18.196 19.000 -0.153 0.000 0.810 142 A HN 0.779 nan 8.150 nan 0.000 0.445 143 M N -3.380 116.207 119.600 -0.021 0.000 3.147 143 M HA 0.447 4.928 4.480 0.001 0.000 0.276 143 M C -0.573 175.763 176.300 0.060 0.000 1.211 143 M CA -0.325 55.016 55.300 0.069 0.000 0.820 143 M CB 1.297 34.015 32.600 0.198 0.000 1.621 143 M HN 0.157 nan 8.290 nan 0.000 0.507 144 S N 0.136 115.881 115.700 0.075 0.000 2.617 144 S HA 0.413 4.884 4.470 0.001 0.000 0.269 144 S C 0.693 175.322 174.600 0.048 0.000 1.292 144 S CA -0.469 57.760 58.200 0.048 0.000 1.010 144 S CB 1.860 65.084 63.200 0.040 0.000 0.944 144 S HN 0.927 nan 8.310 nan 0.000 0.536 145 R N -0.180 120.339 120.500 0.032 0.000 2.105 145 R HA -0.076 4.265 4.340 0.001 0.000 0.239 145 R C 1.868 178.186 176.300 0.030 0.000 1.135 145 R CA 1.216 57.334 56.100 0.030 0.000 0.967 145 R CB -0.617 29.696 30.300 0.021 0.000 0.861 145 R HN 0.739 nan 8.270 nan 0.000 0.442 146 L N 1.181 122.419 121.223 0.024 0.000 2.042 146 L HA -0.213 4.127 4.340 0.001 0.000 0.210 146 L C 2.372 179.253 176.870 0.018 0.000 1.076 146 L CA 1.801 56.651 54.840 0.017 0.000 0.749 146 L CB -0.379 41.687 42.059 0.011 0.000 0.893 146 L HN 0.224 nan 8.230 nan 0.000 0.432 147 Q N -1.589 118.230 119.800 0.031 0.000 2.124 147 Q HA -0.179 4.162 4.340 0.001 0.000 0.202 147 Q C 2.282 178.310 176.000 0.045 0.000 0.977 147 Q CA 1.475 57.296 55.803 0.031 0.000 0.850 147 Q CB -0.294 28.490 28.738 0.076 0.000 0.901 147 Q HN 0.629 nan 8.270 nan 0.000 0.429 148 A N 1.357 124.219 122.820 0.070 0.000 1.877 148 A HA -0.229 4.092 4.320 0.001 0.000 0.216 148 A C 1.837 179.444 177.584 0.038 0.000 1.186 148 A CA 1.487 53.568 52.037 0.072 0.000 0.620 148 A CB -0.432 18.610 19.000 0.071 0.000 0.822 148 A HN 0.318 nan 8.150 nan 0.000 0.443 149 E N -0.239 119.976 120.200 0.026 0.000 2.110 149 E HA -0.128 4.223 4.350 0.001 0.000 0.193 149 E C 2.299 178.900 176.600 0.002 0.000 0.988 149 E CA 0.917 57.325 56.400 0.013 0.000 0.804 149 E CB -0.286 29.420 29.700 0.011 0.000 0.745 149 E HN 0.621 nan 8.360 nan 0.000 0.458 150 A N 1.261 124.079 122.820 -0.004 0.000 1.873 150 A HA -0.161 4.160 4.320 0.001 0.000 0.215 150 A C 2.165 179.733 177.584 -0.027 0.000 1.186 150 A CA 0.981 53.007 52.037 -0.018 0.000 0.616 150 A CB -0.515 18.469 19.000 -0.027 0.000 0.823 150 A HN 0.205 nan 8.150 nan 0.000 0.442 151 L N -0.144 121.061 121.223 -0.030 0.000 2.046 151 L HA -0.095 4.245 4.340 0.001 0.000 0.208 151 L C 2.317 179.173 176.870 -0.023 0.000 1.077 151 L CA 1.531 56.347 54.840 -0.040 0.000 0.747 151 L CB -0.530 41.508 42.059 -0.035 0.000 0.896 151 L HN 0.416 nan 8.230 nan 0.000 0.432 152 L N -1.516 119.702 121.223 -0.007 0.000 2.013 152 L HA -0.281 4.060 4.340 0.001 0.000 0.212 152 L C 2.485 179.344 176.870 -0.018 0.000 1.073 152 L CA 1.020 55.855 54.840 -0.009 0.000 0.753 152 L CB -0.693 41.366 42.059 -0.001 0.000 0.890 152 L HN 0.299 nan 8.230 nan 0.000 0.432 153 L N -0.230 120.983 121.223 -0.016 0.000 2.017 153 L HA -0.233 4.107 4.340 0.001 0.000 0.208 153 L C 2.576 179.438 176.870 -0.014 0.000 1.073 153 L CA 1.855 56.685 54.840 -0.017 0.000 0.745 153 L CB -1.167 40.883 42.059 -0.014 0.000 0.894 153 L HN 0.327 nan 8.230 nan 0.000 0.432 154 E N -0.150 120.040 120.200 -0.017 0.000 2.033 154 E HA -0.192 4.159 4.350 0.001 0.000 0.199 154 E C 2.161 178.764 176.600 0.004 0.000 1.011 154 E CA 1.813 58.206 56.400 -0.013 0.000 0.815 154 E CB -0.152 29.524 29.700 -0.039 0.000 0.755 154 E HN 0.194 nan 8.360 nan 0.000 0.451 155 V N 0.159 120.062 119.914 -0.018 0.000 2.407 155 V HA -0.225 3.896 4.120 0.001 0.000 0.248 155 V C 2.451 178.553 176.094 0.013 0.000 1.055 155 V CA 1.813 64.107 62.300 -0.010 0.000 1.049 155 V CB -0.630 31.170 31.823 -0.039 0.000 0.662 155 V HN 0.257 nan 8.190 nan 0.000 0.455 156 S N -0.413 115.274 115.700 -0.022 0.000 2.359 156 S HA -0.249 4.222 4.470 0.001 0.000 0.224 156 S C 2.466 177.038 174.600 -0.046 0.000 1.035 156 S CA 2.119 60.286 58.200 -0.054 0.000 1.018 156 S CB -0.363 62.805 63.200 -0.054 0.000 0.876 156 S HN 0.720 nan 8.310 nan 0.000 0.448 157 R N 0.222 120.717 120.500 -0.008 0.000 2.066 157 R HA -0.053 4.288 4.340 0.001 0.000 0.232 157 R C 1.979 178.286 176.300 0.011 0.000 1.131 157 R CA 1.989 58.086 56.100 -0.005 0.000 0.955 157 R CB -1.883 28.423 30.300 0.011 0.000 0.851 157 R HN 0.657 nan 8.270 nan 0.000 0.432 158 Y N 1.981 122.241 120.300 -0.066 0.000 2.114 158 Y HA -0.249 4.302 4.550 0.001 0.000 0.282 158 Y C 2.598 178.448 175.900 -0.084 0.000 1.165 158 Y CA 2.659 60.725 58.100 -0.057 0.000 1.148 158 Y CB -0.380 38.050 38.460 -0.050 0.000 0.972 158 Y HN 0.326 nan 8.280 nan 0.000 0.504 159 T N -0.986 113.553 114.554 -0.025 0.000 2.674 159 T HA -0.281 4.069 4.350 0.001 0.000 0.265 159 T C 2.013 176.562 174.700 -0.252 0.000 1.039 159 T CA 1.613 63.567 62.100 -0.244 0.000 1.150 159 T CB -1.132 67.501 68.868 -0.392 0.000 0.864 159 T HN 0.586 nan 8.240 nan 0.000 0.427 160 c N 1.569 120.062 118.600 -0.180 0.000 2.446 160 c HA -0.048 4.522 4.570 0.001 0.000 0.279 160 c C 2.356 176.411 174.090 -0.058 0.000 1.366 160 c CA 0.476 56.746 56.329 -0.097 0.000 1.763 160 c CB -1.320 41.132 42.510 -0.097 0.000 1.929 160 c HN 0.459 nan 8.230 nan 0.000 0.509 161 D N 0.571 120.908 120.400 -0.104 0.000 2.178 161 D HA -0.069 4.572 4.640 0.001 0.000 0.202 161 D C 2.051 178.284 176.300 -0.112 0.000 0.974 161 D CA 1.023 54.958 54.000 -0.109 0.000 0.841 161 D CB -0.362 40.355 40.800 -0.140 0.000 0.953 161 D HN 0.489 nan 8.370 nan 0.000 0.478 162 L N 0.592 121.731 121.223 -0.139 0.000 2.131 162 L HA -0.133 4.208 4.340 0.001 0.000 0.210 162 L C 2.458 179.335 176.870 0.013 0.000 1.092 162 L CA 0.880 55.672 54.840 -0.080 0.000 0.759 162 L CB -0.366 41.671 42.059 -0.038 0.000 0.903 162 L HN -0.026 nan 8.230 nan 0.000 0.435 163 A N -0.537 122.345 122.820 0.103 0.000 1.978 163 A HA -0.257 4.064 4.320 0.001 0.000 0.220 163 A C 2.170 179.757 177.584 0.004 0.000 1.170 163 A CA 1.498 53.581 52.037 0.076 0.000 0.636 163 A CB -0.409 18.660 19.000 0.115 0.000 0.810 163 A HN 0.510 nan 8.150 nan 0.000 0.448 164 Q N -1.628 118.165 119.800 -0.011 0.000 2.436 164 Q HA -0.059 4.282 4.340 0.001 0.000 0.209 164 Q C 1.881 177.866 176.000 -0.025 0.000 0.965 164 Q CA 0.989 56.779 55.803 -0.021 0.000 0.910 164 Q CB -0.173 28.550 28.738 -0.026 0.000 0.980 164 Q HN 0.712 nan 8.270 nan 0.000 0.491 165 R N 0.080 120.561 120.500 -0.031 0.000 2.466 165 R HA 0.305 4.646 4.340 0.001 0.000 0.279 165 R C 1.192 177.471 176.300 -0.035 0.000 0.976 165 R CA 0.743 56.826 56.100 -0.029 0.000 1.081 165 R CB -0.376 29.909 30.300 -0.025 0.000 1.215 165 R HN 0.389 nan 8.270 nan 0.000 0.546 166 G N -1.026 107.748 108.800 -0.043 0.000 2.194 166 G HA2 -0.211 3.749 3.960 0.001 0.000 0.236 166 G HA3 -0.211 3.749 3.960 0.001 0.000 0.236 166 G C 0.341 175.185 174.900 -0.094 0.000 0.987 166 G CA 0.076 45.143 45.100 -0.055 0.000 0.635 166 G HN 0.700 nan 8.290 nan 0.000 0.520 167 V N 2.133 121.970 119.914 -0.129 0.000 2.521 167 V HA 0.452 4.572 4.120 0.001 0.000 0.286 167 V C 1.645 177.548 176.094 -0.319 0.000 1.034 167 V CA 1.447 63.585 62.300 -0.269 0.000 1.045 167 V CB 1.189 32.775 31.823 -0.395 0.000 0.974 167 V HN 0.790 nan 8.190 nan 0.000 0.480 168 T N 1.808 116.171 114.554 -0.319 0.000 2.975 168 T HA 0.325 4.676 4.350 0.001 0.000 0.257 168 T C -0.163 174.383 174.700 -0.257 0.000 1.003 168 T CA -0.077 61.890 62.100 -0.223 0.000 0.932 168 T CB 0.279 69.081 68.868 -0.111 0.000 1.087 168 T HN 0.296 nan 8.240 nan 0.000 0.512 169 L N 1.275 122.254 121.223 -0.406 0.000 2.439 169 L HA 0.751 5.092 4.340 0.001 0.000 0.270 169 L C -1.897 174.732 176.870 -0.402 0.000 0.972 169 L CA -1.413 53.269 54.840 -0.262 0.000 0.836 169 L CB 1.361 43.355 42.059 -0.109 0.000 1.255 169 L HN 0.110 nan 8.230 nan 0.000 0.404 170 F N 2.437 122.401 119.950 0.024 0.000 2.483 170 F HA 0.877 5.404 4.527 0.001 0.000 0.329 170 F C 0.971 176.798 175.800 0.045 0.000 1.064 170 F CA -0.354 57.660 58.000 0.023 0.000 0.986 170 F CB 2.268 41.274 39.000 0.009 0.000 1.218 170 F HN 0.581 nan 8.300 nan 0.000 0.484 171 G N 0.436 109.394 108.800 0.264 0.000 2.638 171 G HA2 0.558 4.518 3.960 0.001 0.000 0.302 171 G HA3 0.558 4.518 3.960 0.001 0.000 0.302 171 G C -2.206 172.795 174.900 0.169 0.000 1.365 171 G CA -0.774 44.434 45.100 0.181 0.000 0.987 171 G HN 0.619 nan 8.290 nan 0.000 0.495 172 V N 1.008 121.001 119.914 0.131 0.000 2.715 172 V HA 1.002 5.122 4.120 0.001 0.000 0.310 172 V C 0.358 176.503 176.094 0.085 0.000 1.054 172 V CA 0.452 62.811 62.300 0.098 0.000 0.928 172 V CB 1.782 33.647 31.823 0.069 0.000 1.007 172 V HN 1.355 nan 8.190 nan 0.000 0.437 173 G N 4.354 113.198 108.800 0.074 0.000 2.682 173 G HA2 0.768 4.729 3.960 0.001 0.000 0.290 173 G HA3 0.768 4.729 3.960 0.001 0.000 0.290 173 G C -1.692 173.242 174.900 0.056 0.000 1.425 173 G CA -0.367 44.773 45.100 0.065 0.000 0.807 173 G HN 0.956 nan 8.290 nan 0.000 0.482 174 E N -1.475 118.758 120.200 0.055 0.000 2.456 174 E HA 0.814 5.165 4.350 0.001 0.000 0.276 174 E C -1.652 174.987 176.600 0.065 0.000 0.981 174 E CA -1.147 55.289 56.400 0.060 0.000 0.814 174 E CB 2.289 32.027 29.700 0.062 0.000 1.382 174 E HN 0.976 nan 8.360 nan 0.000 0.459 175 L N -0.311 120.958 121.223 0.076 0.000 2.639 175 L HA 0.789 5.129 4.340 0.001 0.000 0.264 175 L C -1.313 175.620 176.870 0.105 0.000 0.948 175 L CA 0.582 55.467 54.840 0.076 0.000 0.912 175 L CB 1.893 43.986 42.059 0.056 0.000 1.294 175 L HN 0.948 nan 8.230 nan 0.000 0.412 176 G N 5.421 114.298 108.800 0.128 0.000 1.984 176 G HA2 0.412 4.373 3.960 0.001 0.000 0.313 176 G HA3 0.412 4.373 3.960 0.001 0.000 0.313 176 G C -1.110 173.903 174.900 0.189 0.000 1.632 176 G CA -0.890 44.332 45.100 0.203 0.000 0.963 176 G HN 0.309 nan 8.290 nan 0.000 0.595 177 M N 1.689 121.396 119.600 0.179 0.000 2.251 177 M HA 0.390 4.870 4.480 0.001 0.000 0.343 177 M C 1.427 177.877 176.300 0.251 0.000 1.245 177 M CA 1.042 56.466 55.300 0.207 0.000 1.061 177 M CB 0.218 32.938 32.600 0.200 0.000 1.723 177 M HN 1.973 nan 8.290 nan 0.000 0.449 178 A N 3.177 126.098 122.820 0.168 0.000 3.383 178 A HA -0.237 4.083 4.320 0.001 0.000 0.264 178 A C 1.106 178.578 177.584 -0.185 0.000 1.154 178 A CA 1.224 53.290 52.037 0.047 0.000 1.179 178 A CB -2.431 16.671 19.000 0.171 0.000 1.133 178 A HN 0.928 nan 8.150 nan 0.000 0.933 179 N N 0.762 119.295 118.700 -0.280 0.000 2.550 179 N HA -0.065 4.676 4.740 0.001 0.000 0.186 179 N C 1.112 176.524 175.510 -0.163 0.000 1.110 179 N CA 2.008 54.781 53.050 -0.462 0.000 0.912 179 N CB -1.415 36.873 38.487 -0.332 0.000 0.968 179 N HN 1.069 nan 8.380 nan 0.000 0.448 180 T N -5.114 109.417 114.554 -0.040 0.000 3.118 180 T HA 0.046 4.396 4.350 0.001 0.000 0.260 180 T C 1.509 176.255 174.700 0.076 0.000 1.139 180 T CA 0.846 63.000 62.100 0.091 0.000 1.085 180 T CB -0.545 68.393 68.868 0.116 0.000 0.934 180 T HN 0.067 nan 8.240 nan 0.000 0.518 181 T N 2.915 117.456 114.554 -0.021 0.000 2.698 181 T HA 0.043 4.394 4.350 0.001 0.000 0.260 181 T C -0.461 174.229 174.700 -0.015 0.000 1.044 181 T CA 1.125 63.215 62.100 -0.017 0.000 1.149 181 T CB -1.002 67.838 68.868 -0.047 0.000 0.864 181 T HN 0.397 nan 8.240 nan 0.000 0.419 182 P HA 0.014 nan 4.420 nan 0.000 0.218 182 P C 1.389 178.672 177.300 -0.029 0.000 1.149 182 P CA 1.175 64.252 63.100 -0.038 0.000 0.817 182 P CB -0.169 31.511 31.700 -0.033 0.000 0.785 183 A N 1.029 123.827 122.820 -0.037 0.000 1.883 183 A HA -0.143 4.178 4.320 0.001 0.000 0.217 183 A C 2.537 180.096 177.584 -0.043 0.000 1.186 183 A CA 2.553 54.527 52.037 -0.105 0.000 0.624 183 A CB -1.619 17.284 19.000 -0.162 0.000 0.822 183 A HN 0.236 nan 8.150 nan 0.000 0.444 184 A N -0.357 122.561 122.820 0.163 0.000 1.933 184 A HA 0.171 4.492 4.320 0.001 0.000 0.218 184 A C 2.508 180.144 177.584 0.088 0.000 1.175 184 A CA 2.113 54.294 52.037 0.239 0.000 0.628 184 A CB -1.013 18.117 19.000 0.218 0.000 0.814 184 A HN 1.095 nan 8.150 nan 0.000 0.444 185 A N -0.399 122.436 122.820 0.025 0.000 1.877 185 A HA -0.159 4.162 4.320 0.001 0.000 0.216 185 A C 2.282 179.827 177.584 -0.064 0.000 1.186 185 A CA 1.893 53.916 52.037 -0.023 0.000 0.620 185 A CB -0.571 18.406 19.000 -0.038 0.000 0.822 185 A HN 0.532 nan 8.150 nan 0.000 0.443 186 M N -0.798 118.764 119.600 -0.062 0.000 2.080 186 M HA -0.151 4.329 4.480 0.001 0.000 0.260 186 M C 2.166 178.461 176.300 -0.008 0.000 1.068 186 M CA 1.565 56.809 55.300 -0.095 0.000 1.109 186 M CB -0.552 32.068 32.600 0.033 0.000 1.342 186 M HN 0.267 nan 8.290 nan 0.000 0.405 187 V N -0.333 119.608 119.914 0.046 0.000 2.332 187 V HA -0.285 3.835 4.120 0.001 0.000 0.248 187 V C 2.530 178.643 176.094 0.032 0.000 1.055 187 V CA 2.213 64.562 62.300 0.082 0.000 1.038 187 V CB -0.810 31.073 31.823 0.101 0.000 0.651 187 V HN 0.559 nan 8.190 nan 0.000 0.450 188 S N -0.361 115.346 115.700 0.011 0.000 2.353 188 S HA -0.196 4.275 4.470 0.001 0.000 0.222 188 S C 2.001 176.558 174.600 -0.072 0.000 1.035 188 S CA 2.151 60.339 58.200 -0.021 0.000 1.025 188 S CB -0.292 62.900 63.200 -0.015 0.000 0.902 188 S HN 0.317 nan 8.310 nan 0.000 0.440 189 V N 0.968 120.799 119.914 -0.139 0.000 2.261 189 V HA -0.117 4.003 4.120 0.001 0.000 0.246 189 V C 2.231 178.199 176.094 -0.211 0.000 1.047 189 V CA 2.111 64.273 62.300 -0.230 0.000 1.015 189 V CB -0.982 30.603 31.823 -0.396 0.000 0.642 189 V HN 0.511 nan 8.190 nan 0.000 0.446 190 F N 1.101 121.006 119.950 -0.076 0.000 2.293 190 F HA -0.111 4.417 4.527 0.001 0.000 0.300 190 F C 2.562 178.269 175.800 -0.155 0.000 1.086 190 F CA 1.649 59.596 58.000 -0.087 0.000 1.375 190 F CB -1.063 37.889 39.000 -0.080 0.000 1.045 190 F HN 0.349 nan 8.300 nan 0.000 0.516 191 T N -4.208 110.297 114.554 -0.082 0.000 3.022 191 T HA 0.382 4.733 4.350 0.001 0.000 0.250 191 T C 1.745 176.330 174.700 -0.192 0.000 1.060 191 T CA 0.494 62.334 62.100 -0.432 0.000 1.013 191 T CB 0.070 68.489 68.868 -0.749 0.000 0.982 191 T HN 0.388 nan 8.240 nan 0.000 0.508 192 G N 1.190 109.942 108.800 -0.080 0.000 2.153 192 G HA2 -0.244 3.716 3.960 0.001 0.000 0.252 192 G HA3 -0.244 3.716 3.960 0.001 0.000 0.252 192 G C 0.090 174.978 174.900 -0.020 0.000 0.994 192 G CA 0.193 45.276 45.100 -0.030 0.000 0.698 192 G HN 0.736 nan 8.290 nan 0.000 0.521 193 S N -0.335 115.344 115.700 -0.034 0.000 2.616 193 S HA 0.496 4.966 4.470 0.001 0.000 0.277 193 S C 0.092 174.693 174.600 0.001 0.000 1.234 193 S CA -0.259 57.940 58.200 -0.002 0.000 1.028 193 S CB 1.706 64.912 63.200 0.010 0.000 0.988 193 S HN 0.488 nan 8.310 nan 0.000 0.522 194 D N 0.773 121.178 120.400 0.009 0.000 2.372 194 D HA 0.402 5.043 4.640 0.001 0.000 0.243 194 D C 1.087 177.392 176.300 0.008 0.000 1.121 194 D CA 0.095 54.097 54.000 0.004 0.000 0.898 194 D CB 0.816 41.619 40.800 0.005 0.000 1.202 194 D HN 0.448 nan 8.370 nan 0.000 0.428 195 A N 3.646 126.468 122.820 0.003 0.000 1.927 195 A HA -0.241 4.079 4.320 0.001 0.000 0.220 195 A C 2.222 179.810 177.584 0.007 0.000 1.185 195 A CA 2.784 54.825 52.037 0.007 0.000 0.639 195 A CB -1.386 17.613 19.000 -0.002 0.000 0.820 195 A HN 0.697 nan 8.150 nan 0.000 0.451 196 K N -0.039 120.362 120.400 0.001 0.000 2.147 196 K HA -0.142 4.179 4.320 0.001 0.000 0.205 196 K C 1.701 178.301 176.600 0.000 0.000 1.049 196 K CA 1.758 58.044 56.287 -0.003 0.000 0.936 196 K CB -0.761 31.736 32.500 -0.004 0.000 0.722 196 K HN 0.782 nan 8.250 nan 0.000 0.446 197 E N -0.076 120.130 120.200 0.011 0.000 2.285 197 E HA -0.047 4.304 4.350 0.001 0.000 0.194 197 E C 1.518 178.132 176.600 0.023 0.000 0.997 197 E CA 1.347 57.758 56.400 0.018 0.000 0.845 197 E CB 0.264 29.981 29.700 0.029 0.000 0.782 197 E HN 0.559 nan 8.360 nan 0.000 0.491 198 V N -2.664 117.269 119.914 0.032 0.000 3.346 198 V HA 0.231 4.351 4.120 0.001 0.000 0.309 198 V C 0.422 176.523 176.094 0.012 0.000 1.457 198 V CA -0.438 61.895 62.300 0.055 0.000 1.069 198 V CB 0.626 32.539 31.823 0.151 0.000 0.944 198 V HN -0.204 nan 8.190 nan 0.000 0.449 199 V N 2.465 122.370 119.914 -0.015 0.000 2.406 199 V HA 0.807 4.927 4.120 0.001 0.000 0.272 199 V C 1.060 177.098 176.094 -0.093 0.000 1.043 199 V CA 0.711 62.990 62.300 -0.035 0.000 0.915 199 V CB 0.719 32.533 31.823 -0.015 0.000 0.988 199 V HN 0.553 nan 8.190 nan 0.000 0.466 200 G N 3.483 112.192 108.800 -0.151 0.000 2.753 200 G HA2 0.527 4.487 3.960 0.001 0.000 0.285 200 G HA3 0.527 4.487 3.960 0.001 0.000 0.285 200 G C 0.650 175.492 174.900 -0.097 0.000 1.344 200 G CA -0.553 44.453 45.100 -0.156 0.000 1.050 200 G HN 0.830 nan 8.290 nan 0.000 0.532 201 I N -1.676 118.845 120.570 -0.082 0.000 3.564 201 I HA 0.321 4.492 4.170 0.001 0.000 0.294 201 I C 1.448 177.541 176.117 -0.040 0.000 1.289 201 I CA 0.488 61.756 61.300 -0.052 0.000 1.325 201 I CB -0.664 37.313 38.000 -0.039 0.000 1.039 201 I HN 0.845 nan 8.210 nan 0.000 0.474 202 G N 2.144 110.916 108.800 -0.047 0.000 2.634 202 G HA2 -0.398 3.562 3.960 0.001 0.000 0.309 202 G HA3 -0.398 3.562 3.960 0.001 0.000 0.309 202 G C 0.440 175.342 174.900 0.002 0.000 1.265 202 G CA 0.554 45.645 45.100 -0.014 0.000 0.998 202 G HN 1.063 nan 8.290 nan 0.000 0.551 203 A N 0.550 123.380 122.820 0.017 0.000 3.004 203 A HA 0.539 4.860 4.320 0.001 0.000 0.286 203 A C 0.984 178.578 177.584 0.017 0.000 1.632 203 A CA 0.880 52.933 52.037 0.026 0.000 1.339 203 A CB -0.874 18.153 19.000 0.045 0.000 1.136 203 A HN 1.515 nan 8.150 nan 0.000 0.577 204 N N -0.585 118.119 118.700 0.007 0.000 2.740 204 N HA -0.157 4.583 4.740 0.001 0.000 0.248 204 N C -0.376 175.130 175.510 -0.006 0.000 1.062 204 N CA 0.687 53.738 53.050 0.002 0.000 0.704 204 N CB -1.339 37.153 38.487 0.009 0.000 0.968 204 N HN 0.627 nan 8.380 nan 0.000 0.547 205 L N 1.099 122.312 121.223 -0.016 0.000 2.462 205 L HA 0.272 4.612 4.340 0.001 0.000 0.272 205 L C -1.617 175.237 176.870 -0.027 0.000 1.166 205 L CA -0.747 54.076 54.840 -0.028 0.000 0.880 205 L CB 0.202 42.237 42.059 -0.040 0.000 1.142 205 L HN -0.014 nan 8.230 nan 0.000 0.473 206 P HA 0.114 nan 4.420 nan 0.000 0.266 206 P C -2.128 175.156 177.300 -0.027 0.000 1.195 206 P CA -0.410 62.676 63.100 -0.024 0.000 0.768 206 P CB 0.132 31.817 31.700 -0.024 0.000 0.838 207 P HA -0.215 nan 4.420 nan 0.000 0.219 207 P C 1.615 178.900 177.300 -0.025 0.000 1.146 207 P CA 1.944 65.030 63.100 -0.024 0.000 0.808 207 P CB -0.380 31.308 31.700 -0.019 0.000 0.779 208 S N -1.392 114.293 115.700 -0.024 0.000 2.447 208 S HA 0.020 4.490 4.470 0.001 0.000 0.233 208 S C 2.031 176.612 174.600 -0.031 0.000 1.006 208 S CA 1.501 59.686 58.200 -0.025 0.000 0.957 208 S CB -0.747 62.439 63.200 -0.023 0.000 0.773 208 S HN 0.454 nan 8.310 nan 0.000 0.507 209 R N 0.802 121.279 120.500 -0.037 0.000 2.359 209 R HA 0.520 4.861 4.340 0.001 0.000 0.231 209 R C 1.646 177.917 176.300 -0.048 0.000 0.913 209 R CA 0.406 56.477 56.100 -0.047 0.000 1.075 209 R CB -1.123 29.142 30.300 -0.059 0.000 1.087 209 R HN 0.514 nan 8.270 nan 0.000 0.515 210 I N 1.451 121.997 120.570 -0.040 0.000 2.179 210 I HA -0.202 3.969 4.170 0.001 0.000 0.242 210 I C 1.239 177.334 176.117 -0.036 0.000 1.088 210 I CA 1.536 62.813 61.300 -0.039 0.000 1.357 210 I CB -0.778 37.201 38.000 -0.034 0.000 1.051 210 I HN 0.258 nan 8.210 nan 0.000 0.409 211 D N 0.849 121.230 120.400 -0.032 0.000 2.149 211 D HA -0.244 4.397 4.640 0.001 0.000 0.194 211 D C 1.932 178.213 176.300 -0.032 0.000 1.001 211 D CA 1.552 55.534 54.000 -0.029 0.000 0.849 211 D CB -0.466 40.319 40.800 -0.026 0.000 0.939 211 D HN 0.342 nan 8.370 nan 0.000 0.449 212 N N 0.635 119.311 118.700 -0.039 0.000 2.120 212 N HA -0.164 4.577 4.740 0.001 0.000 0.188 212 N C 1.531 177.013 175.510 -0.047 0.000 1.024 212 N CA 1.307 54.330 53.050 -0.045 0.000 0.852 212 N CB 0.020 38.474 38.487 -0.056 0.000 1.003 212 N HN 0.049 nan 8.380 nan 0.000 0.424 213 K N -0.231 120.139 120.400 -0.050 0.000 2.057 213 K HA -0.070 4.250 4.320 0.001 0.000 0.207 213 K C 1.696 178.276 176.600 -0.034 0.000 1.049 213 K CA 1.189 57.447 56.287 -0.048 0.000 0.931 213 K CB -0.113 32.357 32.500 -0.049 0.000 0.714 213 K HN 0.041 nan 8.250 nan 0.000 0.440 214 V N 1.571 121.468 119.914 -0.029 0.000 2.343 214 V HA -0.249 3.872 4.120 0.001 0.000 0.247 214 V C 2.001 178.082 176.094 -0.021 0.000 1.051 214 V CA 2.276 64.563 62.300 -0.021 0.000 1.036 214 V CB -0.572 31.240 31.823 -0.019 0.000 0.654 214 V HN 0.498 nan 8.190 nan 0.000 0.451 215 D N -0.046 120.339 120.400 -0.025 0.000 2.117 215 D HA -0.150 4.491 4.640 0.001 0.000 0.197 215 D C 2.002 178.287 176.300 -0.025 0.000 0.987 215 D CA 1.423 55.409 54.000 -0.024 0.000 0.829 215 D CB -0.077 40.708 40.800 -0.026 0.000 0.961 215 D HN 0.214 nan 8.370 nan 0.000 0.460 216 V N -0.159 119.737 119.914 -0.030 0.000 2.343 216 V HA -0.209 3.912 4.120 0.001 0.000 0.247 216 V C 2.629 178.708 176.094 -0.025 0.000 1.051 216 V CA 1.312 63.594 62.300 -0.030 0.000 1.036 216 V CB -0.374 31.427 31.823 -0.038 0.000 0.654 216 V HN 0.164 nan 8.190 nan 0.000 0.451 217 V N -0.158 119.742 119.914 -0.023 0.000 2.295 217 V HA -0.282 3.838 4.120 0.001 0.000 0.246 217 V C 2.581 178.661 176.094 -0.023 0.000 1.049 217 V CA 2.190 64.478 62.300 -0.019 0.000 1.024 217 V CB -0.774 31.043 31.823 -0.010 0.000 0.648 217 V HN 0.465 nan 8.190 nan 0.000 0.447 218 R N -0.476 120.011 120.500 -0.021 0.000 2.081 218 R HA -0.146 4.194 4.340 0.001 0.000 0.235 218 R C 2.552 178.838 176.300 -0.024 0.000 1.131 218 R CA 1.568 57.655 56.100 -0.022 0.000 0.960 218 R CB -0.336 29.953 30.300 -0.019 0.000 0.856 218 R HN 0.418 nan 8.270 nan 0.000 0.436 219 R N 0.127 120.614 120.500 -0.022 0.000 2.081 219 R HA -0.098 4.243 4.340 0.001 0.000 0.235 219 R C 2.311 178.597 176.300 -0.024 0.000 1.131 219 R CA 1.491 57.578 56.100 -0.021 0.000 0.960 219 R CB -0.328 29.961 30.300 -0.020 0.000 0.856 219 R HN 0.229 nan 8.270 nan 0.000 0.436 220 A N 0.791 123.596 122.820 -0.026 0.000 1.908 220 A HA -0.175 4.146 4.320 0.001 0.000 0.218 220 A C 2.112 179.674 177.584 -0.036 0.000 1.181 220 A CA 1.413 53.433 52.037 -0.029 0.000 0.627 220 A CB -0.501 18.481 19.000 -0.030 0.000 0.818 220 A HN 0.229 nan 8.150 nan 0.000 0.445 221 I N -0.508 120.038 120.570 -0.040 0.000 2.233 221 I HA -0.217 3.954 4.170 0.001 0.000 0.243 221 I C 2.995 179.087 176.117 -0.041 0.000 1.093 221 I CA 0.943 62.214 61.300 -0.050 0.000 1.380 221 I CB -0.388 37.580 38.000 -0.054 0.000 1.067 221 I HN 0.343 nan 8.210 nan 0.000 0.413 222 A N 1.140 123.941 122.820 -0.032 0.000 1.883 222 A HA -0.191 4.129 4.320 0.001 0.000 0.217 222 A C 2.314 179.884 177.584 -0.024 0.000 1.186 222 A CA 1.658 53.679 52.037 -0.026 0.000 0.624 222 A CB -0.864 18.123 19.000 -0.021 0.000 0.822 222 A HN 0.392 nan 8.150 nan 0.000 0.444 223 I N -0.311 120.245 120.570 -0.023 0.000 2.252 223 I HA -0.198 3.972 4.170 0.001 0.000 0.245 223 I C 1.913 178.017 176.117 -0.022 0.000 1.102 223 I CA 1.135 62.423 61.300 -0.020 0.000 1.385 223 I CB -0.363 37.626 38.000 -0.017 0.000 1.064 223 I HN 0.376 nan 8.210 nan 0.000 0.414 224 N N 0.161 118.844 118.700 -0.028 0.000 2.415 224 N HA -0.058 4.682 4.740 0.001 0.000 0.176 224 N C -0.029 175.460 175.510 -0.034 0.000 1.042 224 N CA 0.293 53.325 53.050 -0.030 0.000 0.902 224 N CB 0.201 38.666 38.487 -0.036 0.000 0.986 224 N HN 0.212 nan 8.380 nan 0.000 0.447 225 Q N 0.359 120.135 119.800 -0.039 0.000 2.443 225 Q HA -0.123 4.217 4.340 0.001 0.000 0.337 225 Q C -2.389 173.582 176.000 -0.050 0.000 1.401 225 Q CA 0.466 56.244 55.803 -0.041 0.000 0.943 225 Q CB -1.575 27.146 28.738 -0.029 0.000 1.177 225 Q HN 0.437 nan 8.270 nan 0.000 0.394 226 P HA 0.057 nan 4.420 nan 0.000 0.271 226 P C 0.045 177.290 177.300 -0.091 0.000 1.216 226 P CA -0.201 62.846 63.100 -0.088 0.000 0.776 226 P CB 0.641 32.262 31.700 -0.131 0.000 0.881 227 N N 3.821 122.480 118.700 -0.069 0.000 2.406 227 N HA 0.151 4.892 4.740 0.001 0.000 0.251 227 N C -1.737 173.738 175.510 -0.059 0.000 1.069 227 N CA -2.455 50.567 53.050 -0.048 0.000 0.947 227 N CB 0.311 38.787 38.487 -0.017 0.000 1.111 227 N HN 0.122 nan 8.380 nan 0.000 0.497 228 P HA -0.138 nan 4.420 nan 0.000 0.218 228 P C 0.878 178.240 177.300 0.103 0.000 1.146 228 P CA 1.516 64.584 63.100 -0.054 0.000 0.813 228 P CB 0.249 31.933 31.700 -0.028 0.000 0.778 229 R N -0.373 120.171 120.500 0.073 0.000 2.310 229 R HA 0.069 4.410 4.340 0.001 0.000 0.202 229 R C 0.600 176.957 176.300 0.095 0.000 0.933 229 R CA 0.723 56.878 56.100 0.092 0.000 1.054 229 R CB -1.123 29.210 30.300 0.055 0.000 0.985 229 R HN 0.108 nan 8.270 nan 0.000 0.489 230 D N -1.004 119.455 120.400 0.098 0.000 2.408 230 D HA 0.281 4.921 4.640 0.001 0.000 0.261 230 D C 1.282 177.664 176.300 0.136 0.000 1.190 230 D CA -0.057 53.995 54.000 0.088 0.000 0.910 230 D CB 0.848 41.675 40.800 0.045 0.000 1.097 230 D HN 0.063 nan 8.370 nan 0.000 0.522 231 G N 2.787 111.708 108.800 0.202 0.000 2.475 231 G HA2 -0.238 3.723 3.960 0.001 0.000 0.220 231 G HA3 -0.238 3.723 3.960 0.001 0.000 0.220 231 G C 1.554 176.564 174.900 0.184 0.000 1.125 231 G CA 0.570 45.846 45.100 0.293 0.000 0.755 231 G HN 0.596 nan 8.290 nan 0.000 0.565 232 I N 0.402 121.034 120.570 0.103 0.000 2.353 232 I HA -0.086 4.084 4.170 0.001 0.000 0.248 232 I C 2.380 178.529 176.117 0.053 0.000 1.119 232 I CA 1.297 62.639 61.300 0.070 0.000 1.417 232 I CB -0.207 37.821 38.000 0.047 0.000 1.078 232 I HN 0.121 nan 8.210 nan 0.000 0.421 233 D N 0.776 121.201 120.400 0.041 0.000 2.097 233 D HA -0.155 4.486 4.640 0.001 0.000 0.195 233 D C 2.170 178.463 176.300 -0.011 0.000 0.989 233 D CA 1.241 55.248 54.000 0.012 0.000 0.827 233 D CB 0.159 40.960 40.800 0.001 0.000 0.966 233 D HN 0.045 nan 8.370 nan 0.000 0.456 234 V N 0.398 120.298 119.914 -0.024 0.000 2.295 234 V HA -0.219 3.901 4.120 0.001 0.000 0.246 234 V C 2.673 178.745 176.094 -0.036 0.000 1.049 234 V CA 1.333 63.569 62.300 -0.105 0.000 1.024 234 V CB -0.594 31.043 31.823 -0.309 0.000 0.648 234 V HN 0.301 nan 8.190 nan 0.000 0.447 235 L N 0.936 122.188 121.223 0.048 0.000 2.042 235 L HA -0.205 4.136 4.340 0.001 0.000 0.210 235 L C 2.743 179.630 176.870 0.027 0.000 1.076 235 L CA 2.097 56.971 54.840 0.057 0.000 0.749 235 L CB -0.698 41.412 42.059 0.085 0.000 0.893 235 L HN 0.581 nan 8.230 nan 0.000 0.432 236 S N -0.967 114.749 115.700 0.027 0.000 2.406 236 S HA -0.150 4.321 4.470 0.001 0.000 0.228 236 S C 1.910 176.507 174.600 -0.004 0.000 1.020 236 S CA 0.743 58.957 58.200 0.022 0.000 0.965 236 S CB -0.109 63.110 63.200 0.032 0.000 0.798 236 S HN 0.372 nan 8.310 nan 0.000 0.488 237 K N 0.656 121.045 120.400 -0.018 0.000 2.078 237 K HA 0.137 4.458 4.320 0.001 0.000 0.203 237 K C 1.623 178.199 176.600 -0.041 0.000 1.043 237 K CA 1.325 57.594 56.287 -0.031 0.000 0.960 237 K CB 0.065 32.541 32.500 -0.040 0.000 0.761 237 K HN 0.444 nan 8.250 nan 0.000 0.448 238 V N -2.721 117.163 119.914 -0.050 0.000 3.159 238 V HA 0.391 4.511 4.120 0.001 0.000 0.333 238 V C 0.497 176.570 176.094 -0.034 0.000 1.424 238 V CA -0.288 61.983 62.300 -0.049 0.000 1.125 238 V CB 0.293 32.074 31.823 -0.070 0.000 1.075 238 V HN 0.191 nan 8.190 nan 0.000 0.482 239 G N 0.277 109.064 108.800 -0.023 0.000 2.882 239 G HA2 0.781 4.741 3.960 0.001 0.000 0.164 239 G HA3 0.781 4.741 3.960 0.001 0.000 0.164 239 G C 0.080 174.982 174.900 0.004 0.000 1.429 239 G CA -0.285 44.818 45.100 0.004 0.000 1.059 239 G HN 1.163 nan 8.290 nan 0.000 0.581 240 G N -2.655 106.148 108.800 0.005 0.000 2.559 240 G HA2 0.429 4.390 3.960 0.001 0.000 0.291 240 G HA3 0.429 4.390 3.960 0.001 0.000 0.291 240 G C 0.084 174.945 174.900 -0.065 0.000 1.424 240 G CA -0.617 44.419 45.100 -0.106 0.000 0.786 240 G HN 0.297 nan 8.290 nan 0.000 0.485 241 F N 0.368 120.280 119.950 -0.063 0.000 2.134 241 F HA -0.083 4.445 4.527 0.001 0.000 0.299 241 F C 2.755 178.537 175.800 -0.031 0.000 1.097 241 F CA 1.419 59.384 58.000 -0.058 0.000 1.264 241 F CB 0.129 39.070 39.000 -0.097 0.000 1.001 241 F HN 0.530 nan 8.300 nan 0.000 0.479 242 D N 0.673 121.163 120.400 0.151 0.000 2.117 242 D HA -0.174 4.466 4.640 0.001 0.000 0.197 242 D C 1.962 178.321 176.300 0.098 0.000 0.987 242 D CA 1.086 55.157 54.000 0.118 0.000 0.829 242 D CB -0.942 39.944 40.800 0.142 0.000 0.961 242 D HN 0.101 nan 8.370 nan 0.000 0.460 243 L N 0.597 121.884 121.223 0.107 0.000 2.046 243 L HA -0.079 4.261 4.340 0.001 0.000 0.208 243 L C 2.727 179.633 176.870 0.061 0.000 1.077 243 L CA 0.726 55.607 54.840 0.068 0.000 0.747 243 L CB -1.001 41.096 42.059 0.063 0.000 0.896 243 L HN 0.022 nan 8.230 nan 0.000 0.432 244 V N -0.179 119.785 119.914 0.083 0.000 2.295 244 V HA -0.221 3.900 4.120 0.001 0.000 0.246 244 V C 2.599 178.722 176.094 0.048 0.000 1.049 244 V CA 1.801 64.146 62.300 0.075 0.000 1.024 244 V CB -1.343 30.547 31.823 0.112 0.000 0.648 244 V HN 0.562 nan 8.190 nan 0.000 0.447 245 G N -0.643 108.188 108.800 0.052 0.000 2.440 245 G HA2 -0.303 3.658 3.960 0.001 0.000 0.218 245 G HA3 -0.303 3.658 3.960 0.001 0.000 0.218 245 G C 1.617 176.520 174.900 0.005 0.000 1.154 245 G CA 1.275 46.385 45.100 0.017 0.000 0.767 245 G HN 0.437 nan 8.290 nan 0.000 0.552 246 M N 0.366 119.975 119.600 0.016 0.000 2.117 246 M HA -0.077 4.403 4.480 0.001 0.000 0.262 246 M C 2.786 179.082 176.300 -0.007 0.000 1.065 246 M CA 1.755 57.059 55.300 0.007 0.000 1.114 246 M CB -0.666 31.942 32.600 0.012 0.000 1.361 246 M HN 0.149 nan 8.290 nan 0.000 0.408 247 T N 0.295 114.847 114.554 -0.002 0.000 2.746 247 T HA -0.110 4.240 4.350 0.001 0.000 0.267 247 T C 1.814 176.499 174.700 -0.026 0.000 1.039 247 T CA 1.601 63.694 62.100 -0.012 0.000 1.142 247 T CB -0.767 68.103 68.868 0.003 0.000 0.866 247 T HN 0.652 nan 8.240 nan 0.000 0.444 248 G N 0.910 109.697 108.800 -0.023 0.000 2.422 248 G HA2 -0.154 3.806 3.960 0.001 0.000 0.218 248 G HA3 -0.154 3.806 3.960 0.001 0.000 0.218 248 G C 1.691 176.546 174.900 -0.074 0.000 1.146 248 G CA 0.728 45.803 45.100 -0.040 0.000 0.769 248 G HN 0.437 nan 8.290 nan 0.000 0.547 249 V N 1.081 120.948 119.914 -0.078 0.000 2.343 249 V HA -0.217 3.904 4.120 0.001 0.000 0.247 249 V C 2.900 178.891 176.094 -0.173 0.000 1.051 249 V CA 2.128 64.343 62.300 -0.142 0.000 1.036 249 V CB -0.402 31.362 31.823 -0.099 0.000 0.654 249 V HN 0.388 nan 8.190 nan 0.000 0.451 250 M N -0.813 118.730 119.600 -0.095 0.000 2.117 250 M HA -0.150 4.331 4.480 0.001 0.000 0.262 250 M C 2.135 178.381 176.300 -0.090 0.000 1.065 250 M CA 1.889 57.148 55.300 -0.069 0.000 1.114 250 M CB -0.452 32.133 32.600 -0.026 0.000 1.361 250 M HN 0.255 nan 8.290 nan 0.000 0.408 251 L N -0.691 120.480 121.223 -0.087 0.000 2.093 251 L HA -0.070 4.271 4.340 0.001 0.000 0.208 251 L C 2.693 179.481 176.870 -0.135 0.000 1.085 251 L CA 1.180 55.967 54.840 -0.089 0.000 0.755 251 L CB -1.219 40.803 42.059 -0.062 0.000 0.904 251 L HN 0.406 nan 8.230 nan 0.000 0.435 252 G N -0.287 108.415 108.800 -0.163 0.000 2.402 252 G HA2 -0.208 3.753 3.960 0.001 0.000 0.216 252 G HA3 -0.208 3.753 3.960 0.001 0.000 0.216 252 G C 1.789 176.525 174.900 -0.273 0.000 1.162 252 G CA 0.767 45.745 45.100 -0.203 0.000 0.777 252 G HN 0.439 nan 8.290 nan 0.000 0.539 253 A N 1.187 123.801 122.820 -0.344 0.000 1.902 253 A HA 0.285 4.606 4.320 0.001 0.000 0.217 253 A C 2.811 180.203 177.584 -0.320 0.000 1.181 253 A CA 2.218 54.064 52.037 -0.318 0.000 0.623 253 A CB -0.785 18.066 19.000 -0.248 0.000 0.818 253 A HN 0.755 nan 8.150 nan 0.000 0.443 254 A N -0.042 122.556 122.820 -0.370 0.000 1.902 254 A HA -0.163 4.158 4.320 0.001 0.000 0.217 254 A C 2.175 179.400 177.584 -0.597 0.000 1.181 254 A CA 2.166 53.778 52.037 -0.708 0.000 0.623 254 A CB -0.452 18.368 19.000 -0.300 0.000 0.818 254 A HN 0.474 nan 8.150 nan 0.000 0.443 255 R N -0.350 119.965 120.500 -0.308 0.000 2.120 255 R HA -0.099 4.242 4.340 0.001 0.000 0.234 255 R C 1.744 177.930 176.300 -0.190 0.000 1.123 255 R CA 2.057 58.036 56.100 -0.201 0.000 0.975 255 R CB -1.525 28.695 30.300 -0.133 0.000 0.866 255 R HN 0.449 nan 8.270 nan 0.000 0.446 256 c N 0.066 118.545 118.600 -0.202 0.000 2.576 256 c HA 0.325 4.896 4.570 0.001 0.000 0.267 256 c C 1.271 175.283 174.090 -0.131 0.000 1.364 256 c CA 0.716 56.972 56.329 -0.123 0.000 1.723 256 c CB -1.444 41.027 42.510 -0.065 0.000 1.778 256 c HN 0.788 nan 8.230 nan 0.000 0.572 257 G N 0.930 109.545 108.800 -0.307 0.000 2.221 257 G HA2 -0.243 3.718 3.960 0.001 0.000 0.265 257 G HA3 -0.243 3.718 3.960 0.001 0.000 0.265 257 G C -0.184 174.698 174.900 -0.030 0.000 1.041 257 G CA 0.392 45.339 45.100 -0.255 0.000 0.807 257 G HN 0.541 nan 8.290 nan 0.000 0.502 258 L N 0.463 121.642 121.223 -0.074 0.000 2.319 258 L HA 0.641 4.981 4.340 0.001 0.000 0.267 258 L C -1.829 175.197 176.870 0.260 0.000 1.011 258 L CA -2.704 52.230 54.840 0.156 0.000 0.818 258 L CB 2.434 44.634 42.059 0.235 0.000 1.316 258 L HN -0.079 nan 8.230 nan 0.000 0.432 259 P HA 0.201 nan 4.420 nan 0.000 0.278 259 P C -1.306 176.161 177.300 0.279 0.000 1.238 259 P CA -0.250 63.006 63.100 0.260 0.000 0.794 259 P CB 1.692 33.493 31.700 0.169 0.000 0.955 260 V N 3.300 123.356 119.914 0.236 0.000 2.577 260 V HA 0.329 4.450 4.120 0.001 0.000 0.303 260 V C 0.293 176.492 176.094 0.174 0.000 1.042 260 V CA -0.785 61.649 62.300 0.223 0.000 0.872 260 V CB 1.780 33.695 31.823 0.154 0.000 0.998 260 V HN 0.406 nan 8.190 nan 0.000 0.423 261 L N 5.098 126.425 121.223 0.172 0.000 2.265 261 L HA 0.474 4.814 4.340 0.001 0.000 0.288 261 L C -0.000 176.960 176.870 0.150 0.000 1.058 261 L CA -0.194 54.742 54.840 0.160 0.000 0.809 261 L CB 1.141 43.294 42.059 0.157 0.000 1.179 261 L HN 0.490 nan 8.230 nan 0.000 0.429 262 L N 2.382 123.693 121.223 0.146 0.000 2.476 262 L HA 0.155 4.496 4.340 0.001 0.000 0.255 262 L C 0.379 177.351 176.870 0.170 0.000 1.218 262 L CA 0.100 55.026 54.840 0.142 0.000 0.819 262 L CB 0.656 42.811 42.059 0.160 0.000 1.119 262 L HN 0.650 nan 8.230 nan 0.000 0.485 263 D N -0.598 119.883 120.400 0.136 0.000 3.305 263 D HA 0.318 4.959 4.640 0.001 0.000 0.221 263 D C 0.325 176.674 176.300 0.083 0.000 1.187 263 D CA 0.417 54.527 54.000 0.183 0.000 1.276 263 D CB 0.259 41.135 40.800 0.128 0.000 0.924 263 D HN 0.506 nan 8.370 nan 0.000 0.189 264 G N -1.072 107.682 108.800 -0.077 0.000 2.940 264 G HA2 0.193 4.153 3.960 0.001 0.000 0.164 264 G HA3 0.193 4.153 3.960 0.001 0.000 0.164 264 G C 0.575 174.821 174.900 -1.090 0.000 1.326 264 G CA -0.246 44.557 45.100 -0.494 0.000 1.020 264 G HN 0.377 nan 8.290 nan 0.000 0.586 265 F N -0.043 119.361 119.950 -0.911 0.000 2.087 265 F HA -0.168 4.360 4.527 0.001 0.000 0.299 265 F C 2.483 178.039 175.800 -0.407 0.000 1.100 265 F CA 1.252 58.827 58.000 -0.709 0.000 1.226 265 F CB 0.156 39.011 39.000 -0.242 0.000 0.983 265 F HN -0.002 nan 8.300 nan 0.000 0.479 266 L N 0.184 121.235 121.223 -0.287 0.000 2.046 266 L HA -0.208 4.132 4.340 0.001 0.000 0.208 266 L C 2.822 179.546 176.870 -0.242 0.000 1.077 266 L CA 2.085 56.776 54.840 -0.248 0.000 0.747 266 L CB -2.218 39.792 42.059 -0.081 0.000 0.896 266 L HN 0.374 nan 8.230 nan 0.000 0.432 267 S N -1.070 114.490 115.700 -0.233 0.000 2.383 267 S HA -0.202 4.269 4.470 0.001 0.000 0.227 267 S C 2.129 176.694 174.600 -0.058 0.000 1.026 267 S CA 0.773 58.901 58.200 -0.120 0.000 0.981 267 S CB -0.822 62.343 63.200 -0.058 0.000 0.818 267 S HN 0.503 nan 8.310 nan 0.000 0.472 268 Y N 2.096 122.298 120.300 -0.165 0.000 2.181 268 Y HA -0.105 4.445 4.550 0.001 0.000 0.288 268 Y C 3.183 178.952 175.900 -0.219 0.000 1.146 268 Y CA 0.680 58.668 58.100 -0.187 0.000 1.164 268 Y CB -0.502 37.840 38.460 -0.196 0.000 0.982 268 Y HN 0.319 nan 8.280 nan 0.000 0.515 269 S N 0.384 115.975 115.700 -0.182 0.000 2.368 269 S HA -0.234 4.236 4.470 0.001 0.000 0.225 269 S C 2.292 176.855 174.600 -0.062 0.000 1.030 269 S CA 1.040 59.149 58.200 -0.151 0.000 0.999 269 S CB -0.549 62.507 63.200 -0.240 0.000 0.844 269 S HN 0.526 nan 8.310 nan 0.000 0.459 270 A N 1.448 124.229 122.820 -0.065 0.000 1.930 270 A HA 0.173 4.494 4.320 0.001 0.000 0.217 270 A C 2.321 179.869 177.584 -0.061 0.000 1.175 270 A CA 1.594 53.610 52.037 -0.035 0.000 0.627 270 A CB -0.935 18.051 19.000 -0.022 0.000 0.815 270 A HN 0.514 nan 8.150 nan 0.000 0.443 271 A N -0.336 122.450 122.820 -0.058 0.000 1.929 271 A HA 0.066 4.387 4.320 0.001 0.000 0.216 271 A C 2.122 179.609 177.584 -0.161 0.000 1.176 271 A CA 1.229 53.224 52.037 -0.070 0.000 0.628 271 A CB -0.516 18.471 19.000 -0.021 0.000 0.816 271 A HN 0.454 nan 8.150 nan 0.000 0.444 272 L N -0.673 120.415 121.223 -0.226 0.000 2.042 272 L HA -0.227 4.114 4.340 0.001 0.000 0.210 272 L C 3.119 179.524 176.870 -0.775 0.000 1.076 272 L CA 1.162 55.729 54.840 -0.456 0.000 0.749 272 L CB -0.561 41.225 42.059 -0.455 0.000 0.893 272 L HN 0.444 nan 8.230 nan 0.000 0.432 273 A N -0.012 122.432 122.820 -0.626 0.000 1.877 273 A HA -0.194 4.127 4.320 0.001 0.000 0.216 273 A C 2.545 180.002 177.584 -0.212 0.000 1.186 273 A CA 1.817 53.612 52.037 -0.403 0.000 0.620 273 A CB -0.831 18.177 19.000 0.014 0.000 0.822 273 A HN 0.404 nan 8.150 nan 0.000 0.443 274 A N -0.928 121.806 122.820 -0.144 0.000 1.883 274 A HA -0.223 4.098 4.320 0.001 0.000 0.217 274 A C 2.294 179.824 177.584 -0.091 0.000 1.186 274 A CA 1.854 53.841 52.037 -0.084 0.000 0.624 274 A CB -1.353 17.613 19.000 -0.057 0.000 0.822 274 A HN 0.633 nan 8.150 nan 0.000 0.444 275 C N -1.344 117.878 119.300 -0.129 0.000 2.432 275 C HA -0.022 4.438 4.460 0.001 0.000 0.280 275 C C 2.780 177.706 174.990 -0.108 0.000 1.353 275 C CA 1.247 60.203 59.018 -0.103 0.000 1.766 275 C CB -0.970 26.703 27.740 -0.112 0.000 1.924 275 C HN 0.762 nan 8.230 nan 0.000 0.509 276 Q N 1.188 120.883 119.800 -0.174 0.000 2.083 276 Q HA 0.002 4.343 4.340 0.001 0.000 0.198 276 Q C 1.851 177.833 176.000 -0.029 0.000 0.969 276 Q CA 1.703 57.442 55.803 -0.107 0.000 0.838 276 Q CB -0.382 28.271 28.738 -0.142 0.000 0.900 276 Q HN 0.661 nan 8.270 nan 0.000 0.436 277 I N -0.289 120.263 120.570 -0.030 0.000 2.315 277 I HA -0.042 4.129 4.170 0.001 0.000 0.248 277 I C 0.352 176.466 176.117 -0.004 0.000 1.117 277 I CA 0.840 62.139 61.300 -0.001 0.000 1.404 277 I CB 0.042 38.043 38.000 0.001 0.000 1.071 277 I HN 0.170 nan 8.210 nan 0.000 0.419 278 A N -0.076 122.735 122.820 -0.014 0.000 2.684 278 A HA 0.467 4.787 4.320 0.001 0.000 0.289 278 A C -2.173 175.410 177.584 -0.001 0.000 1.139 278 A CA -0.844 51.191 52.037 -0.003 0.000 0.793 278 A CB 0.359 19.360 19.000 0.000 0.000 1.334 278 A HN -0.107 nan 8.150 nan 0.000 0.408 279 P HA -0.157 nan 4.420 nan 0.000 0.219 279 P C 1.663 178.973 177.300 0.015 0.000 1.146 279 P CA 1.855 64.953 63.100 -0.004 0.000 0.808 279 P CB 0.330 32.027 31.700 -0.005 0.000 0.779 280 A N -0.792 122.049 122.820 0.034 0.000 2.125 280 A HA -0.116 4.204 4.320 0.001 0.000 0.219 280 A C 2.131 179.800 177.584 0.142 0.000 1.156 280 A CA 1.225 53.306 52.037 0.073 0.000 0.671 280 A CB -1.485 17.561 19.000 0.078 0.000 0.794 280 A HN 0.071 nan 8.150 nan 0.000 0.459 281 V N -0.316 119.662 119.914 0.107 0.000 2.667 281 V HA -0.184 3.936 4.120 0.001 0.000 0.252 281 V C 2.535 178.727 176.094 0.162 0.000 1.065 281 V CA 1.932 64.329 62.300 0.161 0.000 1.083 281 V CB -0.759 31.100 31.823 0.061 0.000 0.692 281 V HN 0.636 nan 8.190 nan 0.000 0.468 282 R N 1.487 122.021 120.500 0.057 0.000 2.113 282 R HA -0.175 4.165 4.340 0.001 0.000 0.244 282 R C -0.255 176.026 176.300 -0.033 0.000 1.142 282 R CA 2.329 58.431 56.100 0.004 0.000 0.953 282 R CB -1.870 28.414 30.300 -0.027 0.000 0.860 282 R HN 0.390 nan 8.270 nan 0.000 0.438 283 P HA -0.111 nan 4.420 nan 0.000 0.221 283 P C 0.264 177.341 177.300 -0.372 0.000 1.145 283 P CA 1.223 64.154 63.100 -0.281 0.000 0.795 283 P CB -0.072 31.370 31.700 -0.431 0.000 0.775 284 Y N -2.230 118.076 120.300 0.010 0.000 2.500 284 Y HA 0.132 4.683 4.550 0.001 0.000 0.270 284 Y C 0.914 176.835 175.900 0.036 0.000 1.134 284 Y CA -0.396 57.719 58.100 0.025 0.000 1.293 284 Y CB -0.278 38.196 38.460 0.023 0.000 1.063 284 Y HN -0.144 nan 8.280 nan 0.000 0.534 285 L N 1.153 122.447 121.223 0.119 0.000 2.349 285 L HA 0.282 4.622 4.340 0.001 0.000 0.275 285 L C -0.289 176.624 176.870 0.072 0.000 1.115 285 L CA -0.565 54.329 54.840 0.091 0.000 0.820 285 L CB 0.546 42.634 42.059 0.048 0.000 1.135 285 L HN 0.012 nan 8.230 nan 0.000 0.445 286 I N 5.431 126.061 120.570 0.100 0.000 2.447 286 I HA 0.364 4.535 4.170 0.001 0.000 0.287 286 I C -2.244 173.944 176.117 0.119 0.000 1.023 286 I CA -1.810 59.566 61.300 0.126 0.000 1.083 286 I CB 2.352 40.463 38.000 0.184 0.000 1.245 286 I HN 0.437 nan 8.210 nan 0.000 0.434 287 P HA 0.178 nan 4.420 nan 0.000 0.274 287 P C -0.140 177.243 177.300 0.138 0.000 1.237 287 P CA -0.172 62.927 63.100 -0.002 0.000 0.793 287 P CB 1.775 33.350 31.700 -0.208 0.000 0.977 288 S N 0.294 116.109 115.700 0.192 0.000 3.226 288 S HA 0.142 4.612 4.470 0.001 0.000 0.195 288 S C 0.822 175.623 174.600 0.335 0.000 0.793 288 S CA -0.110 58.282 58.200 0.318 0.000 0.816 288 S CB -0.642 62.753 63.200 0.325 0.000 0.847 288 S HN 0.758 nan 8.310 nan 0.000 0.630 289 H N -0.130 119.042 119.070 0.169 0.000 2.812 289 H HA 0.630 5.187 4.556 0.001 0.000 0.355 289 H C -1.873 173.553 175.328 0.162 0.000 1.207 289 H CA -1.291 54.859 56.048 0.170 0.000 1.217 289 H CB 0.850 30.710 29.762 0.165 0.000 1.874 289 H HN 0.355 nan 8.280 nan 0.000 0.581 290 F N 1.943 121.830 119.950 -0.106 0.000 2.313 290 F HA 0.244 4.772 4.527 0.001 0.000 0.369 290 F C 0.658 176.393 175.800 -0.108 0.000 1.109 290 F CA -0.437 57.441 58.000 -0.204 0.000 1.132 290 F CB 0.616 39.336 39.000 -0.467 0.000 1.291 290 F HN 0.603 nan 8.300 nan 0.000 0.496 291 S N 3.809 119.561 115.700 0.086 0.000 2.558 291 S HA 0.272 4.743 4.470 0.001 0.000 0.288 291 S C 1.260 176.016 174.600 0.260 0.000 1.318 291 S CA 0.153 58.434 58.200 0.135 0.000 1.056 291 S CB 0.734 63.948 63.200 0.024 0.000 0.853 291 S HN 0.827 nan 8.310 nan 0.000 0.505 292 A N 3.204 126.128 122.820 0.173 0.000 2.235 292 A HA 0.191 4.512 4.320 0.001 0.000 0.208 292 A C 0.714 178.314 177.584 0.026 0.000 1.172 292 A CA 0.195 52.291 52.037 0.099 0.000 0.786 292 A CB -0.392 18.651 19.000 0.071 0.000 0.804 292 A HN 0.861 nan 8.150 nan 0.000 0.479 293 E N 0.458 120.645 120.200 -0.021 0.000 2.392 293 E HA 0.132 4.483 4.350 0.001 0.000 0.264 293 E C 1.144 177.616 176.600 -0.213 0.000 1.024 293 E CA 0.061 56.336 56.400 -0.207 0.000 0.903 293 E CB 0.671 30.105 29.700 -0.443 0.000 0.963 293 E HN 0.293 nan 8.360 nan 0.000 0.432 294 K N 2.715 122.975 120.400 -0.233 0.000 2.044 294 K HA -0.161 4.160 4.320 0.001 0.000 0.210 294 K C 1.402 177.931 176.600 -0.118 0.000 1.049 294 K CA 1.738 57.939 56.287 -0.142 0.000 0.927 294 K CB -0.416 32.010 32.500 -0.124 0.000 0.713 294 K HN 0.648 nan 8.250 nan 0.000 0.443 295 G N -0.596 108.035 108.800 -0.281 0.000 3.026 295 G HA2 0.037 3.997 3.960 0.001 0.000 0.208 295 G HA3 0.037 3.997 3.960 0.001 0.000 0.208 295 G C 1.243 176.282 174.900 0.232 0.000 1.169 295 G CA 0.485 45.574 45.100 -0.018 0.000 0.788 295 G HN 0.406 nan 8.290 nan 0.000 0.533 296 A N 1.126 124.049 122.820 0.173 0.000 1.883 296 A HA 0.015 4.335 4.320 0.001 0.000 0.217 296 A C 2.728 180.377 177.584 0.109 0.000 1.186 296 A CA 2.562 54.810 52.037 0.352 0.000 0.624 296 A CB -0.772 18.443 19.000 0.358 0.000 0.822 296 A HN 0.519 nan 8.150 nan 0.000 0.444 297 R N -0.039 120.585 120.500 0.207 0.000 2.096 297 R HA -0.093 4.248 4.340 0.001 0.000 0.240 297 R C 2.101 178.456 176.300 0.093 0.000 1.139 297 R CA 1.920 58.135 56.100 0.193 0.000 0.952 297 R CB -1.505 28.962 30.300 0.278 0.000 0.854 297 R HN 0.661 nan 8.270 nan 0.000 0.436 298 I N 0.449 121.103 120.570 0.141 0.000 2.179 298 I HA -0.201 3.970 4.170 0.001 0.000 0.242 298 I C 3.128 179.366 176.117 0.203 0.000 1.088 298 I CA 1.325 62.736 61.300 0.184 0.000 1.357 298 I CB -0.414 37.686 38.000 0.166 0.000 1.051 298 I HN 0.486 nan 8.210 nan 0.000 0.409 299 A N 0.884 123.797 122.820 0.154 0.000 1.902 299 A HA -0.172 4.149 4.320 0.001 0.000 0.217 299 A C 2.285 179.823 177.584 -0.077 0.000 1.181 299 A CA 1.495 53.586 52.037 0.090 0.000 0.623 299 A CB -0.900 18.216 19.000 0.193 0.000 0.818 299 A HN 0.389 nan 8.150 nan 0.000 0.443 300 L N -0.890 120.170 121.223 -0.271 0.000 2.141 300 L HA -0.161 4.180 4.340 0.001 0.000 0.209 300 L C 3.036 179.777 176.870 -0.215 0.000 1.094 300 L CA 0.899 55.485 54.840 -0.424 0.000 0.763 300 L CB -0.451 41.209 42.059 -0.665 0.000 0.908 300 L HN 0.439 nan 8.230 nan 0.000 0.437 301 A N -1.055 121.703 122.820 -0.104 0.000 1.930 301 A HA -0.206 4.115 4.320 0.001 0.000 0.217 301 A C 2.098 179.583 177.584 -0.165 0.000 1.175 301 A CA 1.241 53.216 52.037 -0.104 0.000 0.627 301 A CB -0.699 18.266 19.000 -0.058 0.000 0.815 301 A HN 0.435 nan 8.150 nan 0.000 0.443 302 H N -0.907 118.120 119.070 -0.072 0.000 2.495 302 H HA 0.110 4.666 4.556 0.001 0.000 0.287 302 H C 1.401 176.677 175.328 -0.086 0.000 1.033 302 H CA 1.119 57.133 56.048 -0.057 0.000 1.307 302 H CB 0.122 29.868 29.762 -0.027 0.000 1.401 302 H HN 0.395 nan 8.280 nan 0.000 0.555 303 L N 0.096 121.292 121.223 -0.045 0.000 2.592 303 L HA 0.035 4.376 4.340 0.001 0.000 0.227 303 L C 0.613 177.415 176.870 -0.113 0.000 1.127 303 L CA -0.051 54.733 54.840 -0.093 0.000 0.884 303 L CB 0.302 42.278 42.059 -0.139 0.000 1.065 303 L HN -0.038 nan 8.230 nan 0.000 0.457 304 S N 0.858 116.485 115.700 -0.122 0.000 3.631 304 S HA -0.185 4.286 4.470 0.001 0.000 0.366 304 S C 0.069 174.592 174.600 -0.128 0.000 0.993 304 S CA 0.821 58.952 58.200 -0.116 0.000 1.167 304 S CB -1.114 62.031 63.200 -0.091 0.000 0.909 304 S HN 0.372 nan 8.310 nan 0.000 0.478 305 M N 0.803 120.298 119.600 -0.175 0.000 2.465 305 M HA 0.556 5.037 4.480 0.001 0.000 0.316 305 M C 0.004 176.165 176.300 -0.231 0.000 1.121 305 M CA -0.105 55.070 55.300 -0.209 0.000 0.934 305 M CB 2.148 34.593 32.600 -0.259 0.000 1.692 305 M HN 0.295 nan 8.290 nan 0.000 0.444 306 E N 3.028 123.099 120.200 -0.215 0.000 2.207 306 E HA 0.577 4.928 4.350 0.001 0.000 0.250 306 E C -2.982 173.467 176.600 -0.252 0.000 0.890 306 E CA -1.932 54.374 56.400 -0.156 0.000 0.749 306 E CB 0.625 30.285 29.700 -0.067 0.000 1.193 306 E HN 0.361 nan 8.360 nan 0.000 0.423 307 P HA 0.114 nan 4.420 nan 0.000 0.268 307 P C -0.018 177.254 177.300 -0.046 0.000 1.208 307 P CA -0.021 62.960 63.100 -0.197 0.000 0.777 307 P CB 0.489 32.128 31.700 -0.102 0.000 0.875 308 Y N 0.326 120.741 120.300 0.192 0.000 2.314 308 Y HA 0.118 4.669 4.550 0.001 0.000 0.294 308 Y C 1.054 177.122 175.900 0.279 0.000 1.119 308 Y CA 0.722 58.942 58.100 0.200 0.000 1.179 308 Y CB -0.342 38.201 38.460 0.138 0.000 1.025 308 Y HN 0.121 nan 8.280 nan 0.000 0.541 309 L N 0.649 122.151 121.223 0.465 0.000 2.282 309 L HA 0.332 4.672 4.340 0.001 0.000 0.288 309 L C -1.032 176.125 176.870 0.480 0.000 1.033 309 L CA -0.561 54.533 54.840 0.422 0.000 0.807 309 L CB 0.929 43.182 42.059 0.323 0.000 1.209 309 L HN 0.050 nan 8.230 nan 0.000 0.423 310 H N 5.008 124.196 119.070 0.197 0.000 2.683 310 H HA 0.350 4.907 4.556 0.001 0.000 0.270 310 H C 0.118 175.526 175.328 0.133 0.000 1.201 310 H CA -0.461 55.687 56.048 0.168 0.000 1.277 310 H CB 0.927 30.735 29.762 0.077 0.000 1.400 310 H HN 0.452 nan 8.280 nan 0.000 0.504 311 M N 0.858 120.598 119.600 0.233 0.000 2.347 311 M HA 0.302 4.783 4.480 0.001 0.000 0.302 311 M C 1.078 177.455 176.300 0.128 0.000 1.051 311 M CA 0.025 55.417 55.300 0.153 0.000 0.988 311 M CB -0.221 32.443 32.600 0.107 0.000 1.475 311 M HN 0.638 nan 8.290 nan 0.000 0.530 312 A N 1.172 124.079 122.820 0.146 0.000 2.799 312 A HA -0.228 4.093 4.320 0.001 0.000 0.287 312 A C 0.363 178.024 177.584 0.127 0.000 1.484 312 A CA 0.830 52.937 52.037 0.115 0.000 0.813 312 A CB -2.156 16.884 19.000 0.066 0.000 1.009 312 A HN 0.564 nan 8.150 nan 0.000 0.545 313 M N -0.805 118.908 119.600 0.188 0.000 2.250 313 M HA 0.467 4.948 4.480 0.001 0.000 0.344 313 M C 1.336 177.758 176.300 0.204 0.000 1.150 313 M CA 0.551 55.931 55.300 0.133 0.000 1.147 313 M CB 0.745 33.324 32.600 -0.034 0.000 1.498 313 M HN 0.506 nan 8.290 nan 0.000 0.461 314 R N 1.944 122.519 120.500 0.126 0.000 2.481 314 R HA 0.153 4.493 4.340 0.001 0.000 0.396 314 R C -0.225 176.122 176.300 0.080 0.000 0.950 314 R CA -0.267 55.903 56.100 0.117 0.000 1.095 314 R CB -0.411 29.934 30.300 0.074 0.000 1.472 314 R HN 0.619 nan 8.270 nan 0.000 0.628 315 L N 0.695 121.960 121.223 0.069 0.000 2.168 315 L HA 0.400 4.741 4.340 0.001 0.000 0.203 315 L C 0.988 177.892 176.870 0.057 0.000 1.078 315 L CA 2.369 57.239 54.840 0.050 0.000 0.780 315 L CB -0.074 42.002 42.059 0.029 0.000 0.939 315 L HN 0.604 nan 8.230 nan 0.000 0.451 316 G N -0.610 108.231 108.800 0.069 0.000 2.527 316 G HA2 -0.272 3.688 3.960 0.001 0.000 0.227 316 G HA3 -0.272 3.688 3.960 0.001 0.000 0.227 316 G C 0.286 175.219 174.900 0.056 0.000 1.291 316 G CA 0.042 45.182 45.100 0.068 0.000 0.904 316 G HN 0.465 nan 8.290 nan 0.000 0.577 317 E N -1.657 118.576 120.200 0.055 0.000 3.916 317 E HA -0.239 4.111 4.350 0.001 0.000 0.331 317 E C 1.609 178.245 176.600 0.060 0.000 0.729 317 E CA 1.960 58.392 56.400 0.053 0.000 1.222 317 E CB -1.610 28.117 29.700 0.045 0.000 1.633 317 E HN 2.782 nan 8.360 nan 0.000 0.437 318 G N -0.161 108.679 108.800 0.066 0.000 2.157 318 G HA2 -0.369 3.591 3.960 0.001 0.000 0.239 318 G HA3 -0.369 3.591 3.960 0.001 0.000 0.239 318 G C 0.889 175.827 174.900 0.063 0.000 0.982 318 G CA 1.143 46.289 45.100 0.077 0.000 0.650 318 G HN 0.784 nan 8.290 nan 0.000 0.527 319 S N -0.331 115.391 115.700 0.038 0.000 2.383 319 S HA 0.059 4.530 4.470 0.001 0.000 0.229 319 S C 2.480 177.061 174.600 -0.033 0.000 1.030 319 S CA 1.833 60.035 58.200 0.003 0.000 1.002 319 S CB -0.732 62.458 63.200 -0.017 0.000 0.829 319 S HN 1.552 nan 8.310 nan 0.000 0.467 320 G N 1.438 110.195 108.800 -0.072 0.000 2.408 320 G HA2 0.150 4.111 3.960 0.001 0.000 0.217 320 G HA3 0.150 4.111 3.960 0.001 0.000 0.217 320 G C 1.672 176.622 174.900 0.083 0.000 1.150 320 G CA 0.723 45.741 45.100 -0.137 0.000 0.776 320 G HN 0.762 nan 8.290 nan 0.000 0.542 321 A N 1.358 124.255 122.820 0.127 0.000 1.883 321 A HA 0.195 4.515 4.320 0.001 0.000 0.217 321 A C 2.820 180.464 177.584 0.100 0.000 1.186 321 A CA 2.409 54.528 52.037 0.136 0.000 0.624 321 A CB -0.866 18.212 19.000 0.131 0.000 0.822 321 A HN 0.795 nan 8.150 nan 0.000 0.444 322 A N -0.859 122.004 122.820 0.072 0.000 1.933 322 A HA -0.025 4.295 4.320 0.001 0.000 0.218 322 A C 2.098 179.710 177.584 0.046 0.000 1.175 322 A CA 1.679 53.749 52.037 0.055 0.000 0.628 322 A CB -0.548 18.478 19.000 0.044 0.000 0.814 322 A HN 0.632 nan 8.150 nan 0.000 0.444 323 L N -0.723 120.524 121.223 0.040 0.000 2.201 323 L HA 0.036 4.377 4.340 0.001 0.000 0.212 323 L C 2.406 179.311 176.870 0.059 0.000 1.105 323 L CA 1.792 56.653 54.840 0.036 0.000 0.775 323 L CB -0.355 41.711 42.059 0.012 0.000 0.913 323 L HN 0.320 nan 8.230 nan 0.000 0.440 324 A N -1.663 121.209 122.820 0.086 0.000 2.238 324 A HA 0.029 4.350 4.320 0.001 0.000 0.210 324 A C 2.124 179.744 177.584 0.061 0.000 1.179 324 A CA 0.493 52.590 52.037 0.100 0.000 0.827 324 A CB -0.422 18.685 19.000 0.179 0.000 0.856 324 A HN 0.428 nan 8.150 nan 0.000 0.488 325 M N -0.142 119.490 119.600 0.054 0.000 2.149 325 M HA -0.126 4.355 4.480 0.001 0.000 0.261 325 M C -0.726 175.582 176.300 0.014 0.000 1.064 325 M CA 1.835 57.155 55.300 0.034 0.000 1.102 325 M CB -1.236 31.382 32.600 0.030 0.000 1.369 325 M HN 0.151 nan 8.290 nan 0.000 0.408 326 P HA -0.105 nan 4.420 nan 0.000 0.220 326 P C 1.297 178.590 177.300 -0.012 0.000 1.148 326 P CA 1.205 64.307 63.100 0.004 0.000 0.803 326 P CB -0.131 31.574 31.700 0.009 0.000 0.782 327 I N -1.449 119.105 120.570 -0.027 0.000 2.252 327 I HA -0.185 3.986 4.170 0.001 0.000 0.245 327 I C 2.060 178.123 176.117 -0.089 0.000 1.102 327 I CA 1.253 62.504 61.300 -0.082 0.000 1.385 327 I CB -0.647 37.261 38.000 -0.153 0.000 1.064 327 I HN -0.166 nan 8.210 nan 0.000 0.414 328 V N 0.761 120.642 119.914 -0.056 0.000 2.427 328 V HA -0.241 3.880 4.120 0.001 0.000 0.248 328 V C 2.302 178.388 176.094 -0.013 0.000 1.051 328 V CA 1.749 64.029 62.300 -0.034 0.000 1.048 328 V CB -0.671 31.151 31.823 -0.001 0.000 0.666 328 V HN 0.437 nan 8.190 nan 0.000 0.456 329 E N 0.376 120.573 120.200 -0.006 0.000 2.150 329 E HA -0.163 4.188 4.350 0.001 0.000 0.193 329 E C 2.322 178.935 176.600 0.022 0.000 0.985 329 E CA 1.168 57.574 56.400 0.009 0.000 0.814 329 E CB -0.266 29.437 29.700 0.005 0.000 0.752 329 E HN 0.616 nan 8.360 nan 0.000 0.466 330 A N 1.603 124.426 122.820 0.006 0.000 1.933 330 A HA -0.083 4.237 4.320 0.001 0.000 0.218 330 A C 2.407 180.010 177.584 0.033 0.000 1.175 330 A CA 1.527 53.572 52.037 0.014 0.000 0.628 330 A CB -0.487 18.507 19.000 -0.010 0.000 0.814 330 A HN 0.284 nan 8.150 nan 0.000 0.444 331 A N -0.857 121.973 122.820 0.017 0.000 1.933 331 A HA -0.167 4.154 4.320 0.001 0.000 0.218 331 A C 2.293 179.941 177.584 0.105 0.000 1.175 331 A CA 1.707 53.768 52.037 0.041 0.000 0.628 331 A CB -1.233 17.768 19.000 0.003 0.000 0.814 331 A HN 0.615 nan 8.150 nan 0.000 0.444 332 C N -1.038 118.326 119.300 0.106 0.000 2.453 332 C HA 0.102 4.563 4.460 0.001 0.000 0.277 332 C C 3.307 178.485 174.990 0.312 0.000 1.262 332 C CA 0.627 59.773 59.018 0.214 0.000 1.718 332 C CB -1.383 26.449 27.740 0.154 0.000 2.031 332 C HN 0.709 nan 8.230 nan 0.000 0.480 333 A N 0.587 123.516 122.820 0.182 0.000 1.883 333 A HA -0.257 4.064 4.320 0.001 0.000 0.217 333 A C 2.236 179.917 177.584 0.162 0.000 1.186 333 A CA 2.140 54.271 52.037 0.157 0.000 0.624 333 A CB -0.800 18.251 19.000 0.086 0.000 0.822 333 A HN 0.648 nan 8.150 nan 0.000 0.444 334 M N -1.737 117.943 119.600 0.133 0.000 2.065 334 M HA -0.183 4.298 4.480 0.001 0.000 0.259 334 M C 2.127 178.502 176.300 0.125 0.000 1.069 334 M CA 2.509 57.871 55.300 0.103 0.000 1.110 334 M CB -0.367 32.285 32.600 0.086 0.000 1.328 334 M HN 0.427 nan 8.290 nan 0.000 0.405 335 F N 0.456 120.415 119.950 0.014 0.000 2.126 335 F HA -0.287 4.240 4.527 0.000 0.000 0.299 335 F C 2.304 178.063 175.800 -0.067 0.000 1.096 335 F CA 2.038 60.012 58.000 -0.043 0.000 1.255 335 F CB -0.315 38.578 39.000 -0.179 0.000 0.997 335 F HN 0.324 nan 8.300 nan 0.000 0.479 336 H N -1.146 118.105 119.070 0.303 0.000 2.520 336 H HA 0.133 4.690 4.556 0.001 0.000 0.279 336 H C 1.305 176.689 175.328 0.094 0.000 0.990 336 H CA 1.311 57.473 56.048 0.191 0.000 1.288 336 H CB -0.239 29.636 29.762 0.187 0.000 1.446 336 H HN 0.457 nan 8.280 nan 0.000 0.538 337 N N -0.105 118.704 118.700 0.183 0.000 2.368 337 N HA 0.086 4.827 4.740 0.001 0.000 0.178 337 N C 0.309 175.848 175.510 0.048 0.000 1.076 337 N CA -0.188 52.925 53.050 0.103 0.000 0.889 337 N CB 0.776 39.317 38.487 0.091 0.000 1.040 337 N HN 0.034 nan 8.380 nan 0.000 0.463 338 M N 1.288 120.902 119.600 0.022 0.000 2.245 338 M HA 0.120 4.601 4.480 0.001 0.000 0.330 338 M C 1.057 177.331 176.300 -0.042 0.000 1.098 338 M CA -0.147 55.142 55.300 -0.019 0.000 1.172 338 M CB 0.648 33.219 32.600 -0.048 0.000 1.467 338 M HN 0.089 nan 8.290 nan 0.000 0.454 339 G N 1.615 110.389 108.800 -0.043 0.000 2.588 339 G HA2 0.360 4.321 3.960 0.001 0.000 0.281 339 G HA3 0.360 4.321 3.960 0.001 0.000 0.281 339 G C -0.849 173.999 174.900 -0.086 0.000 1.236 339 G CA -0.579 44.493 45.100 -0.048 0.000 0.969 339 G HN 0.747 nan 8.290 nan 0.000 0.504 340 E N -0.574 119.578 120.200 -0.080 0.000 2.212 340 E HA 0.288 4.639 4.350 0.001 0.000 0.268 340 E C 1.031 177.587 176.600 -0.073 0.000 0.902 340 E CA -0.720 55.617 56.400 -0.104 0.000 0.779 340 E CB 2.591 32.225 29.700 -0.109 0.000 1.172 340 E HN 0.274 nan 8.360 nan 0.000 0.409 341 L N 1.422 122.598 121.223 -0.078 0.000 2.013 341 L HA -0.297 4.044 4.340 0.001 0.000 0.212 341 L C 2.365 179.209 176.870 -0.043 0.000 1.073 341 L CA 1.895 56.701 54.840 -0.056 0.000 0.753 341 L CB -0.474 41.551 42.059 -0.057 0.000 0.890 341 L HN 0.716 nan 8.230 nan 0.000 0.432 342 A N -0.216 122.577 122.820 -0.046 0.000 1.940 342 A HA -0.182 4.139 4.320 0.001 0.000 0.219 342 A C 2.449 180.017 177.584 -0.027 0.000 1.176 342 A CA 1.735 53.752 52.037 -0.033 0.000 0.631 342 A CB -0.703 18.278 19.000 -0.032 0.000 0.814 342 A HN 0.436 nan 8.150 nan 0.000 0.446 343 A N -1.362 121.440 122.820 -0.030 0.000 2.121 343 A HA 0.083 4.404 4.320 0.001 0.000 0.218 343 A C 2.052 179.624 177.584 -0.020 0.000 1.154 343 A CA 1.636 53.660 52.037 -0.022 0.000 0.679 343 A CB -0.340 18.646 19.000 -0.023 0.000 0.795 343 A HN 0.374 nan 8.150 nan 0.000 0.458 344 S N 0.034 115.720 115.700 -0.023 0.000 2.554 344 S HA 0.113 4.583 4.470 0.001 0.000 0.226 344 S C 0.083 174.673 174.600 -0.017 0.000 0.980 344 S CA -0.279 57.909 58.200 -0.019 0.000 0.939 344 S CB -0.141 63.046 63.200 -0.021 0.000 0.832 344 S HN 0.660 nan 8.310 nan 0.000 0.486 345 N N 1.337 120.026 118.700 -0.018 0.000 2.740 345 N HA -0.154 4.587 4.740 0.001 0.000 0.248 345 N C -0.844 174.656 175.510 -0.016 0.000 1.062 345 N CA 0.662 53.703 53.050 -0.016 0.000 0.704 345 N CB -1.532 36.948 38.487 -0.012 0.000 0.968 345 N HN 0.451 nan 8.380 nan 0.000 0.547 346 I N 0.365 120.923 120.570 -0.020 0.000 2.404 346 I HA 0.383 4.554 4.170 0.001 0.000 0.293 346 I C 0.250 176.355 176.117 -0.021 0.000 0.992 346 I CA -0.928 60.360 61.300 -0.020 0.000 1.149 346 I CB 2.027 40.013 38.000 -0.022 0.000 1.315 346 I HN -0.257 nan 8.210 nan 0.000 0.446 347 V N 7.386 127.290 119.914 -0.017 0.000 2.444 347 V HA 0.493 4.613 4.120 0.001 0.000 0.294 347 V C -0.212 175.872 176.094 -0.016 0.000 1.022 347 V CA -0.518 61.772 62.300 -0.017 0.000 0.850 347 V CB 1.726 33.540 31.823 -0.014 0.000 0.992 347 V HN 0.476 nan 8.190 nan 0.000 0.426 348 L N 6.052 127.264 121.223 -0.017 0.000 2.346 348 L HA 0.655 4.995 4.340 0.001 0.000 0.274 348 L C -1.393 175.469 176.870 -0.013 0.000 1.007 348 L CA -1.465 53.366 54.840 -0.015 0.000 0.818 348 L CB 1.789 43.838 42.059 -0.017 0.000 1.284 348 L HN 0.547 nan 8.230 nan 0.000 0.424 349 P HA 0.000 nan 4.420 nan 0.000 0.216 349 P CA 0.000 63.094 63.100 -0.009 0.000 0.800 349 P CB 0.000 31.695 31.700 -0.007 0.000 0.726