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 3gcf_1_J DATA FIRST_RESID 16 DATA SEQUENCE SAQVKWPRYL EATLGFDNHW HPAAFDHELA EGEFVAVTML GEKVLLTRAK DATA SEQUENCE GEVKAIADGC AHRGVPFSKE PLCFKAGTVS CWYHGWTYDL DDGRLVDVLT DATA SEQUENCE SPGSPVIGKI GIKVYPVQVA QGVVFVFIGD EEPHALSEDL PPGFLDEDTH DATA SEQUENCE LLGIRRTVQS NWRLGVENGF DTTHIFMHRN SPWVSGNRLA FPYGFVPADR DATA SEQUENCE DAMQVYDENW PKGVLDRLSE NYMPVFEATL DGETVLSAEL TGEEKKVAAQ DATA SEQUENCE VSVWLPGVLK VDPFPDPTLI QYEFYVPISE TQHEYFQVLQ RKVEGPEDVK DATA SEQUENCE TFEVEFEERW RDDALHGFND DDVWAREAQQ EFYGERDGWS KEQLFPPDMC DATA SEQUENCE IVKWRTLASE RGRGVRA 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 16 S HA 0.000 nan 4.470 nan 0.000 0.327 16 S C 0.000 174.356 174.600 -0.407 0.000 1.055 16 S CA 0.000 58.089 58.200 -0.184 0.000 1.107 16 S CB 0.000 63.129 63.200 -0.118 0.000 0.593 17 A N 0.421 123.013 122.820 -0.380 0.000 1.878 17 A HA 0.159 4.479 4.320 -0.000 0.000 0.213 17 A C 2.023 179.172 177.584 -0.725 0.000 1.192 17 A CA 1.766 53.349 52.037 -0.756 0.000 0.619 17 A CB -1.280 17.727 19.000 0.012 0.000 0.837 17 A HN 0.792 nan 8.150 nan 0.000 0.446 18 Q N 0.373 119.992 119.800 -0.300 0.000 2.439 18 Q HA -0.091 4.249 4.340 -0.000 0.000 0.211 18 Q C 1.539 177.415 176.000 -0.207 0.000 0.978 18 Q CA 1.784 57.473 55.803 -0.190 0.000 0.897 18 Q CB -0.461 28.224 28.738 -0.089 0.000 0.956 18 Q HN 0.658 nan 8.270 nan 0.000 0.483 19 V N -3.693 116.050 119.914 -0.285 0.000 3.263 19 V HA 0.252 4.372 4.120 -0.000 0.000 0.248 19 V C 1.866 177.809 176.094 -0.252 0.000 1.145 19 V CA 1.060 63.231 62.300 -0.215 0.000 1.107 19 V CB -0.117 31.602 31.823 -0.173 0.000 0.797 19 V HN 0.117 nan 8.190 nan 0.000 0.467 20 K N 0.052 120.176 120.400 -0.459 0.000 2.242 20 K HA 0.126 4.446 4.320 -0.000 0.000 0.200 20 K C 0.662 177.174 176.600 -0.146 0.000 1.050 20 K CA 1.050 57.111 56.287 -0.378 0.000 0.981 20 K CB 0.225 32.372 32.500 -0.589 0.000 0.795 20 K HN 0.814 nan 8.250 nan 0.000 0.477 21 W N -0.364 120.926 121.300 -0.018 0.000 1.290 21 W HA 0.413 5.073 4.660 -0.000 0.000 0.304 21 W C -2.499 174.028 176.519 0.014 0.000 0.858 21 W CA -1.863 55.468 57.345 -0.024 0.000 1.894 21 W CB -0.096 29.316 29.460 -0.079 0.000 1.934 21 W HN -0.183 nan 8.180 nan 0.000 0.472 22 P HA -0.244 nan 4.420 nan 0.000 0.215 22 P C 1.355 178.716 177.300 0.102 0.000 1.157 22 P CA 2.108 65.236 63.100 0.047 0.000 0.868 22 P CB 0.357 32.057 31.700 -0.000 0.000 0.788 23 R N -1.757 118.834 120.500 0.152 0.000 2.148 23 R HA -0.129 4.211 4.340 -0.000 0.000 0.227 23 R C 2.582 179.039 176.300 0.261 0.000 1.103 23 R CA 0.970 57.187 56.100 0.195 0.000 0.983 23 R CB -0.914 29.521 30.300 0.225 0.000 0.874 23 R HN 0.257 nan 8.270 nan 0.000 0.451 24 Y N 1.547 121.933 120.300 0.144 0.000 2.242 24 Y HA -0.096 4.454 4.550 -0.000 0.000 0.291 24 Y C 1.906 177.698 175.900 -0.180 0.000 1.137 24 Y CA 1.231 59.358 58.100 0.044 0.000 1.181 24 Y CB -0.151 38.278 38.460 -0.052 0.000 0.989 24 Y HN -0.084 nan 8.280 nan 0.000 0.527 25 L N -0.226 120.926 121.223 -0.119 0.000 2.201 25 L HA -0.150 4.189 4.340 -0.000 0.000 0.212 25 L C 1.993 178.699 176.870 -0.273 0.000 1.105 25 L CA 1.417 56.031 54.840 -0.375 0.000 0.775 25 L CB -0.425 41.526 42.059 -0.179 0.000 0.913 25 L HN 0.269 nan 8.230 nan 0.000 0.440 26 E N 0.501 120.628 120.200 -0.123 0.000 2.216 26 E HA -0.017 4.333 4.350 -0.000 0.000 0.192 26 E C 1.404 177.956 176.600 -0.080 0.000 0.988 26 E CA 0.547 56.908 56.400 -0.065 0.000 0.834 26 E CB 0.025 29.728 29.700 0.005 0.000 0.772 26 E HN 0.370 nan 8.360 nan 0.000 0.479 27 A N 1.507 124.240 122.820 -0.145 0.000 2.958 27 A HA 0.037 4.357 4.320 -0.000 0.000 0.247 27 A C 1.347 178.907 177.584 -0.038 0.000 1.679 27 A CA 0.124 52.051 52.037 -0.183 0.000 1.345 27 A CB -0.816 17.852 19.000 -0.553 0.000 1.013 27 A HN 0.055 nan 8.150 nan 0.000 0.641 28 T N -0.028 114.517 114.554 -0.016 0.000 2.759 28 T HA -0.140 4.210 4.350 -0.000 0.000 0.269 28 T C 1.300 176.120 174.700 0.201 0.000 1.042 28 T CA 1.393 63.543 62.100 0.084 0.000 1.140 28 T CB -0.130 68.766 68.868 0.048 0.000 0.864 28 T HN 0.369 nan 8.240 nan 0.000 0.455 29 L N 0.423 121.677 121.223 0.051 0.000 2.653 29 L HA 0.458 4.798 4.340 -0.000 0.000 0.231 29 L C 1.010 177.707 176.870 -0.287 0.000 1.153 29 L CA 0.532 55.343 54.840 -0.047 0.000 0.933 29 L CB -0.881 41.153 42.059 -0.042 0.000 1.175 29 L HN 0.437 nan 8.230 nan 0.000 0.473 30 G N -1.392 107.149 108.800 -0.432 0.000 2.655 30 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.680 30 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.680 30 G C -0.801 173.771 174.900 -0.546 0.000 1.302 30 G CA -0.729 43.788 45.100 -0.970 0.000 0.872 30 G HN -0.098 nan 8.290 nan 0.000 0.540 31 F N 2.317 122.115 119.950 -0.254 0.000 2.385 31 F HA 0.488 5.015 4.527 -0.000 0.000 0.360 31 F C 0.762 176.653 175.800 0.152 0.000 1.122 31 F CA -0.512 57.518 58.000 0.049 0.000 1.090 31 F CB 1.518 40.604 39.000 0.143 0.000 1.150 31 F HN 0.678 nan 8.300 nan 0.000 0.472 32 D N 1.014 121.577 120.400 0.271 0.000 2.529 32 D HA 0.233 4.873 4.640 -0.000 0.000 0.273 32 D C -0.058 176.240 176.300 -0.002 0.000 1.197 32 D CA -0.678 53.380 54.000 0.095 0.000 1.070 32 D CB 0.346 41.138 40.800 -0.013 0.000 1.134 32 D HN 0.377 nan 8.370 nan 0.000 0.590 33 N N -0.580 117.936 118.700 -0.307 0.000 2.783 33 N HA -0.160 4.580 4.740 -0.000 0.000 0.247 33 N C -1.239 173.951 175.510 -0.533 0.000 1.089 33 N CA 0.621 53.437 53.050 -0.391 0.000 0.690 33 N CB -1.392 37.034 38.487 -0.101 0.000 0.991 33 N HN 0.536 nan 8.380 nan 0.000 0.552 34 H N -1.937 116.696 119.070 -0.728 0.000 3.016 34 H HA 0.241 4.797 4.556 -0.000 0.000 0.362 34 H C -0.379 174.549 175.328 -0.667 0.000 1.233 34 H CA -0.409 55.394 56.048 -0.409 0.000 1.124 34 H CB 0.639 30.248 29.762 -0.256 0.000 1.850 34 H HN 0.039 nan 8.280 nan 0.000 0.549 35 W N 1.730 122.948 121.300 -0.136 0.000 2.316 35 W HA 0.324 4.984 4.660 -0.000 0.000 0.321 35 W C 0.385 176.719 176.519 -0.307 0.000 1.203 35 W CA 0.154 57.432 57.345 -0.112 0.000 1.214 35 W CB 0.662 30.063 29.460 -0.099 0.000 1.169 35 W HN 0.319 nan 8.180 nan 0.000 0.561 36 H N 2.695 121.934 119.070 0.283 0.000 2.806 36 H HA 0.264 4.820 4.556 -0.000 0.000 0.367 36 H C -2.311 173.027 175.328 0.017 0.000 1.136 36 H CA -1.851 54.269 56.048 0.120 0.000 1.178 36 H CB 2.138 31.893 29.762 -0.010 0.000 1.718 36 H HN 0.044 nan 8.280 nan 0.000 0.540 37 P HA 0.143 nan 4.420 nan 0.000 0.275 37 P C -0.176 176.763 177.300 -0.602 0.000 1.227 37 P CA -0.019 62.512 63.100 -0.948 0.000 0.781 37 P CB 1.518 32.017 31.700 -2.001 0.000 0.906 38 A N 2.664 125.258 122.820 -0.377 0.000 2.026 38 A HA 0.652 4.971 4.320 -0.000 0.000 0.198 38 A C 0.781 178.392 177.584 0.045 0.000 1.390 38 A CA 1.062 53.059 52.037 -0.066 0.000 0.915 38 A CB -0.029 18.919 19.000 -0.087 0.000 0.974 38 A HN 0.731 nan 8.150 nan 0.000 0.477 39 A N -1.814 120.926 122.820 -0.133 0.000 2.467 39 A HA 0.623 4.942 4.320 -0.000 0.000 0.301 39 A C -1.795 175.556 177.584 -0.388 0.000 1.126 39 A CA -0.640 51.308 52.037 -0.148 0.000 0.632 39 A CB -0.148 18.826 19.000 -0.042 0.000 1.331 39 A HN 0.278 nan 8.150 nan 0.000 0.482 40 F N 0.666 120.606 119.950 -0.016 0.000 2.399 40 F HA 0.373 4.900 4.527 -0.000 0.000 0.334 40 F C 1.379 177.121 175.800 -0.098 0.000 1.097 40 F CA 0.206 58.165 58.000 -0.069 0.000 1.076 40 F CB 1.535 40.522 39.000 -0.022 0.000 1.162 40 F HN 0.851 nan 8.300 nan 0.000 0.495 41 D N 0.531 120.915 120.400 -0.026 0.000 2.133 41 D HA -0.238 4.402 4.640 -0.000 0.000 0.195 41 D C 1.940 178.200 176.300 -0.066 0.000 0.997 41 D CA 1.771 55.703 54.000 -0.113 0.000 0.840 41 D CB -0.020 40.647 40.800 -0.222 0.000 0.947 41 D HN 0.473 nan 8.370 nan 0.000 0.452 42 H N 0.178 119.294 119.070 0.077 0.000 2.543 42 H HA -0.004 4.552 4.556 -0.000 0.000 0.286 42 H C 1.562 176.916 175.328 0.044 0.000 1.037 42 H CA 0.877 56.953 56.048 0.046 0.000 1.250 42 H CB -0.015 29.764 29.762 0.027 0.000 1.373 42 H HN 0.502 nan 8.280 nan 0.000 0.580 43 E N 0.261 120.558 120.200 0.162 0.000 2.427 43 E HA 0.043 4.393 4.350 -0.000 0.000 0.196 43 E C -0.016 176.623 176.600 0.066 0.000 1.028 43 E CA 0.146 56.614 56.400 0.113 0.000 0.864 43 E CB 0.347 30.118 29.700 0.118 0.000 0.813 43 E HN 0.264 nan 8.360 nan 0.000 0.514 44 L N 0.872 122.123 121.223 0.047 0.000 2.343 44 L HA 0.458 4.798 4.340 -0.000 0.000 0.278 44 L C -0.384 176.486 176.870 -0.001 0.000 0.996 44 L CA -0.723 54.121 54.840 0.007 0.000 0.831 44 L CB 1.695 43.743 42.059 -0.018 0.000 1.232 44 L HN -0.094 nan 8.230 nan 0.000 0.413 45 A N 2.055 124.866 122.820 -0.014 0.000 2.269 45 A HA 0.594 4.914 4.320 -0.000 0.000 0.327 45 A C -0.322 177.228 177.584 -0.057 0.000 1.112 45 A CA -0.532 51.495 52.037 -0.017 0.000 0.865 45 A CB 0.999 19.995 19.000 -0.006 0.000 1.227 45 A HN 0.641 nan 8.150 nan 0.000 0.498 46 E N -0.006 120.164 120.200 -0.050 0.000 2.529 46 E HA 0.333 4.683 4.350 -0.000 0.000 0.259 46 E C 1.254 177.788 176.600 -0.110 0.000 0.966 46 E CA 1.770 58.126 56.400 -0.073 0.000 0.937 46 E CB -0.148 29.526 29.700 -0.044 0.000 0.923 46 E HN 1.736 nan 8.360 nan 0.000 0.468 47 G N 3.380 112.070 108.800 -0.183 0.000 2.189 47 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.267 47 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.267 47 G C 0.303 174.973 174.900 -0.383 0.000 0.975 47 G CA 0.581 45.525 45.100 -0.259 0.000 0.644 47 G HN 0.643 nan 8.290 nan 0.000 0.537 48 E N -0.544 119.466 120.200 -0.315 0.000 2.319 48 E HA 0.664 5.014 4.350 -0.000 0.000 0.268 48 E C -0.556 175.802 176.600 -0.404 0.000 1.050 48 E CA -0.857 55.406 56.400 -0.228 0.000 0.878 48 E CB 0.388 30.040 29.700 -0.079 0.000 1.066 48 E HN 0.113 nan 8.360 nan 0.000 0.406 49 F N 1.784 121.744 119.950 0.016 0.000 2.546 49 F HA 0.515 5.042 4.527 -0.000 0.000 0.320 49 F C -0.634 175.183 175.800 0.027 0.000 1.076 49 F CA -0.805 57.211 58.000 0.026 0.000 0.928 49 F CB 2.125 41.145 39.000 0.033 0.000 1.189 49 F HN 0.140 nan 8.300 nan 0.000 0.465 50 V N 2.107 122.157 119.914 0.227 0.000 2.612 50 V HA 0.700 4.820 4.120 -0.000 0.000 0.301 50 V C -0.706 175.461 176.094 0.122 0.000 1.059 50 V CA -1.001 61.379 62.300 0.134 0.000 0.886 50 V CB 1.653 33.523 31.823 0.079 0.000 1.007 50 V HN 0.910 nan 8.190 nan 0.000 0.426 51 A N 4.820 127.695 122.820 0.092 0.000 2.290 51 A HA 0.915 5.235 4.320 -0.000 0.000 0.310 51 A C -0.329 177.276 177.584 0.036 0.000 1.202 51 A CA -0.395 51.682 52.037 0.068 0.000 0.837 51 A CB 1.218 20.252 19.000 0.055 0.000 1.139 51 A HN 1.583 nan 8.150 nan 0.000 0.509 52 V N -0.184 119.740 119.914 0.018 0.000 3.078 52 V HA 0.900 5.020 4.120 -0.000 0.000 0.311 52 V C -0.418 175.664 176.094 -0.020 0.000 1.138 52 V CA -0.519 61.781 62.300 -0.000 0.000 1.007 52 V CB 1.779 33.599 31.823 -0.005 0.000 1.045 52 V HN 0.695 nan 8.190 nan 0.000 0.432 53 T N 4.554 119.099 114.554 -0.016 0.000 2.815 53 T HA 0.691 5.041 4.350 -0.000 0.000 0.289 53 T C -0.507 174.171 174.700 -0.038 0.000 1.000 53 T CA -0.183 61.901 62.100 -0.027 0.000 0.958 53 T CB 0.925 69.789 68.868 -0.008 0.000 0.944 53 T HN 0.746 nan 8.240 nan 0.000 0.442 54 M N 3.716 123.267 119.600 -0.080 0.000 2.190 54 M HA 0.408 4.888 4.480 -0.000 0.000 0.312 54 M C -0.410 175.810 176.300 -0.133 0.000 0.990 54 M CA -0.862 54.370 55.300 -0.114 0.000 0.927 54 M CB 1.724 34.233 32.600 -0.151 0.000 1.571 54 M HN 0.392 nan 8.290 nan 0.000 0.427 55 L N 3.240 124.365 121.223 -0.162 0.000 3.742 55 L HA -0.276 4.064 4.340 -0.000 0.000 0.431 55 L C 1.056 177.874 176.870 -0.086 0.000 1.220 55 L CA 1.389 56.128 54.840 -0.168 0.000 0.863 55 L CB -2.294 39.632 42.059 -0.222 0.000 1.751 55 L HN 1.217 nan 8.230 nan 0.000 0.922 56 G N -2.259 106.510 108.800 -0.052 0.000 2.199 56 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.254 56 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.254 56 G C 0.235 175.125 174.900 -0.016 0.000 0.982 56 G CA 0.341 45.427 45.100 -0.023 0.000 0.632 56 G HN 0.527 nan 8.290 nan 0.000 0.529 57 E N 0.717 120.901 120.200 -0.027 0.000 2.175 57 E HA 0.444 4.794 4.350 -0.000 0.000 0.278 57 E C -0.172 176.409 176.600 -0.033 0.000 0.969 57 E CA -0.653 55.744 56.400 -0.006 0.000 0.796 57 E CB 1.170 30.890 29.700 0.033 0.000 1.104 57 E HN 0.230 nan 8.360 nan 0.000 0.395 58 K N 2.162 122.555 120.400 -0.012 0.000 2.316 58 K HA 0.254 4.574 4.320 -0.000 0.000 0.289 58 K C -0.730 175.861 176.600 -0.016 0.000 1.070 58 K CA -0.244 56.033 56.287 -0.018 0.000 0.928 58 K CB 0.916 33.407 32.500 -0.014 0.000 1.039 58 K HN 0.186 nan 8.250 nan 0.000 0.480 59 V N 4.630 124.513 119.914 -0.052 0.000 2.555 59 V HA 0.327 4.447 4.120 -0.000 0.000 0.302 59 V C -0.750 175.358 176.094 0.023 0.000 1.038 59 V CA -1.063 61.194 62.300 -0.071 0.000 0.887 59 V CB 1.658 33.319 31.823 -0.271 0.000 0.991 59 V HN 0.532 nan 8.190 nan 0.000 0.434 60 L N 5.976 127.263 121.223 0.107 0.000 2.296 60 L HA 0.659 4.999 4.340 -0.000 0.000 0.286 60 L C -0.781 176.194 176.870 0.174 0.000 1.023 60 L CA 0.190 55.136 54.840 0.177 0.000 0.812 60 L CB 1.114 43.341 42.059 0.279 0.000 1.223 60 L HN 0.536 nan 8.230 nan 0.000 0.421 61 L N 4.340 125.660 121.223 0.161 0.000 2.334 61 L HA 0.822 5.162 4.340 -0.000 0.000 0.273 61 L C 0.018 176.952 176.870 0.107 0.000 1.013 61 L CA -0.483 54.424 54.840 0.111 0.000 0.816 61 L CB 2.011 44.102 42.059 0.053 0.000 1.278 61 L HN 0.659 nan 8.230 nan 0.000 0.431 62 T N 0.855 115.413 114.554 0.007 0.000 2.749 62 T HA 0.349 4.699 4.350 -0.000 0.000 0.310 62 T C -1.621 172.998 174.700 -0.134 0.000 1.496 62 T CA -0.709 61.286 62.100 -0.176 0.000 1.006 62 T CB 1.932 70.559 68.868 -0.402 0.000 1.457 62 T HN 0.645 nan 8.240 nan 0.000 0.497 63 R N 1.631 122.019 120.500 -0.186 0.000 2.310 63 R HA 0.763 5.103 4.340 -0.000 0.000 0.324 63 R C -1.128 175.102 176.300 -0.117 0.000 0.955 63 R CA -0.515 55.519 56.100 -0.111 0.000 0.830 63 R CB 0.880 31.127 30.300 -0.088 0.000 1.154 63 R HN 0.664 nan 8.270 nan 0.000 0.458 64 A N 4.156 126.935 122.820 -0.069 0.000 2.291 64 A HA 0.329 4.649 4.320 -0.000 0.000 0.311 64 A C -0.378 177.191 177.584 -0.025 0.000 1.224 64 A CA -0.627 51.381 52.037 -0.049 0.000 0.821 64 A CB 0.601 19.586 19.000 -0.026 0.000 1.172 64 A HN 0.945 nan 8.150 nan 0.000 0.494 65 K N 1.698 122.085 120.400 -0.023 0.000 3.148 65 K HA -0.241 4.079 4.320 -0.000 0.000 0.267 65 K C 1.078 177.671 176.600 -0.011 0.000 0.996 65 K CA 0.931 57.211 56.287 -0.011 0.000 0.737 65 K CB -1.729 30.770 32.500 -0.002 0.000 1.308 65 K HN 2.293 nan 8.250 nan 0.000 0.470 66 G N -0.390 108.399 108.800 -0.018 0.000 2.245 66 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.264 66 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.264 66 G C -0.132 174.760 174.900 -0.014 0.000 0.985 66 G CA 0.857 45.948 45.100 -0.014 0.000 0.625 66 G HN 0.515 nan 8.290 nan 0.000 0.536 67 E N 0.077 120.269 120.200 -0.012 0.000 2.191 67 E HA 0.523 4.873 4.350 -0.000 0.000 0.278 67 E C -0.033 176.562 176.600 -0.008 0.000 0.972 67 E CA -0.884 55.513 56.400 -0.005 0.000 0.804 67 E CB 2.505 32.208 29.700 0.006 0.000 1.110 67 E HN 0.085 nan 8.360 nan 0.000 0.394 68 V N 4.533 124.445 119.914 -0.004 0.000 2.508 68 V HA 0.074 4.194 4.120 -0.000 0.000 0.281 68 V C 0.156 176.268 176.094 0.029 0.000 1.041 68 V CA 0.012 62.311 62.300 -0.001 0.000 1.016 68 V CB 0.232 32.052 31.823 -0.006 0.000 0.984 68 V HN 0.522 nan 8.190 nan 0.000 0.478 69 K N 3.613 124.034 120.400 0.034 0.000 2.267 69 K HA 0.870 5.190 4.320 -0.000 0.000 0.246 69 K C -0.533 176.127 176.600 0.100 0.000 0.954 69 K CA -0.625 55.705 56.287 0.072 0.000 0.824 69 K CB 2.443 34.983 32.500 0.066 0.000 1.167 69 K HN 0.666 nan 8.250 nan 0.000 0.431 70 A N 2.515 125.424 122.820 0.148 0.000 2.359 70 A HA 0.742 5.062 4.320 -0.000 0.000 0.303 70 A C -1.036 176.726 177.584 0.297 0.000 1.066 70 A CA -0.736 51.410 52.037 0.182 0.000 0.730 70 A CB 0.704 19.795 19.000 0.151 0.000 1.211 70 A HN 0.766 nan 8.150 nan 0.000 0.439 71 I N 1.548 122.292 120.570 0.289 0.000 2.865 71 I HA 0.719 4.888 4.170 -0.000 0.000 0.302 71 I C 0.394 176.734 176.117 0.371 0.000 1.140 71 I CA -0.998 60.492 61.300 0.316 0.000 1.021 71 I CB 2.016 40.137 38.000 0.202 0.000 1.233 71 I HN 0.827 nan 8.210 nan 0.000 0.427 72 A N 3.645 126.690 122.820 0.375 0.000 2.548 72 A HA 0.033 4.353 4.320 -0.000 0.000 0.247 72 A C -0.034 177.663 177.584 0.189 0.000 1.067 72 A CA 0.195 52.414 52.037 0.303 0.000 0.757 72 A CB -0.153 18.946 19.000 0.166 0.000 0.996 72 A HN 0.697 nan 8.150 nan 0.000 0.504 73 D N 2.103 122.563 120.400 0.100 0.000 2.845 73 D HA 0.416 5.056 4.640 -0.000 0.000 0.235 73 D C 0.253 176.393 176.300 -0.267 0.000 1.158 73 D CA 0.977 54.978 54.000 0.002 0.000 0.990 73 D CB -0.515 40.311 40.800 0.043 0.000 1.094 73 D HN 0.713 nan 8.370 nan 0.000 0.486 74 G N 0.767 109.257 108.800 -0.516 0.000 2.505 74 G HA2 0.230 4.190 3.960 -0.000 0.000 0.292 74 G HA3 0.230 4.190 3.960 -0.000 0.000 0.292 74 G C -0.723 173.804 174.900 -0.622 0.000 1.332 74 G CA -0.683 44.101 45.100 -0.528 0.000 1.286 74 G HN 0.315 nan 8.290 nan 0.000 0.606 75 C N 2.430 121.306 119.300 -0.706 0.000 2.662 75 C HA 0.532 4.992 4.460 -0.000 0.000 0.420 75 C C 2.089 177.051 174.990 -0.048 0.000 1.314 75 C CA 0.558 59.417 59.018 -0.264 0.000 1.963 75 C CB 0.190 27.848 27.740 -0.136 0.000 2.686 75 C HN 1.090 nan 8.230 nan 0.000 0.609 76 A N 2.964 125.908 122.820 0.207 0.000 2.119 76 A HA -0.064 4.255 4.320 -0.000 0.000 0.217 76 A C 2.038 179.669 177.584 0.078 0.000 1.153 76 A CA 1.581 53.750 52.037 0.220 0.000 0.692 76 A CB -0.835 18.450 19.000 0.475 0.000 0.799 76 A HN 1.068 nan 8.150 nan 0.000 0.458 77 H N -0.402 118.431 119.070 -0.395 0.000 2.290 77 H HA 0.115 4.671 4.556 -0.000 0.000 0.306 77 H C 0.993 176.081 175.328 -0.399 0.000 1.049 77 H CA 0.989 56.548 56.048 -0.815 0.000 1.288 77 H CB 0.099 28.864 29.762 -1.663 0.000 1.406 77 H HN 0.318 nan 8.280 nan 0.000 0.515 78 R N -0.243 119.963 120.500 -0.489 0.000 2.652 78 R HA 0.145 4.485 4.340 -0.000 0.000 0.372 78 R C 0.581 176.771 176.300 -0.183 0.000 1.104 78 R CA 0.379 56.257 56.100 -0.371 0.000 1.072 78 R CB 1.156 31.214 30.300 -0.403 0.000 1.367 78 R HN 0.687 nan 8.270 nan 0.000 0.577 79 G N 1.593 110.293 108.800 -0.167 0.000 2.212 79 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.267 79 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.267 79 G C 0.483 175.292 174.900 -0.151 0.000 1.002 79 G CA 0.754 45.769 45.100 -0.141 0.000 0.729 79 G HN 0.318 nan 8.290 nan 0.000 0.517 80 V N -2.655 117.157 119.914 -0.169 0.000 2.881 80 V HA 0.712 4.832 4.120 -0.000 0.000 0.303 80 V C -1.676 174.306 176.094 -0.185 0.000 1.070 80 V CA -2.303 59.938 62.300 -0.099 0.000 1.074 80 V CB 1.330 33.124 31.823 -0.049 0.000 1.012 80 V HN 0.062 nan 8.190 nan 0.000 0.482 81 P HA 0.359 nan 4.420 nan 0.000 0.280 81 P C -0.147 177.215 177.300 0.104 0.000 1.244 81 P CA -0.213 62.834 63.100 -0.088 0.000 0.784 81 P CB 0.466 32.167 31.700 0.003 0.000 0.913 82 F N 0.719 120.759 119.950 0.150 0.000 2.234 82 F HA -0.150 4.377 4.527 -0.000 0.000 0.299 82 F C 2.394 178.258 175.800 0.106 0.000 1.087 82 F CA 1.594 59.694 58.000 0.168 0.000 1.340 82 F CB -1.674 37.339 39.000 0.022 0.000 1.031 82 F HN 0.264 nan 8.300 nan 0.000 0.500 83 S N -0.226 115.586 115.700 0.186 0.000 2.493 83 S HA -0.185 4.285 4.470 -0.000 0.000 0.243 83 S C 1.916 176.505 174.600 -0.018 0.000 0.991 83 S CA 0.739 58.970 58.200 0.051 0.000 0.957 83 S CB -0.420 62.808 63.200 0.047 0.000 0.756 83 S HN 0.236 nan 8.310 nan 0.000 0.521 84 K N 1.144 121.533 120.400 -0.018 0.000 2.097 84 K HA 0.093 4.413 4.320 -0.000 0.000 0.205 84 K C 0.939 177.314 176.600 -0.376 0.000 1.050 84 K CA 1.061 57.196 56.287 -0.254 0.000 0.938 84 K CB -0.151 32.074 32.500 -0.459 0.000 0.718 84 K HN 0.716 nan 8.250 nan 0.000 0.442 85 E N 0.353 120.379 120.200 -0.290 0.000 2.850 85 E HA 0.117 4.467 4.350 -0.000 0.000 0.368 85 E C -2.773 173.814 176.600 -0.022 0.000 1.116 85 E CA -1.224 55.055 56.400 -0.201 0.000 0.787 85 E CB 1.206 30.718 29.700 -0.313 0.000 1.561 85 E HN -0.122 nan 8.360 nan 0.000 0.381 86 P HA 0.076 nan 4.420 nan 0.000 0.267 86 P C -0.526 176.493 177.300 -0.468 0.000 1.209 86 P CA 0.212 62.969 63.100 -0.570 0.000 0.763 86 P CB 0.753 31.669 31.700 -1.307 0.000 0.816 87 L N 3.793 124.821 121.223 -0.324 0.000 2.362 87 L HA 0.622 4.962 4.340 -0.000 0.000 0.271 87 L C -0.077 176.679 176.870 -0.190 0.000 1.002 87 L CA -0.842 53.853 54.840 -0.241 0.000 0.818 87 L CB 2.392 44.344 42.059 -0.178 0.000 1.298 87 L HN 0.445 nan 8.230 nan 0.000 0.420 88 C N 2.127 121.253 119.300 -0.290 0.000 2.505 88 C HA 0.501 4.961 4.460 -0.000 0.000 0.342 88 C C 0.099 174.884 174.990 -0.341 0.000 1.121 88 C CA -0.433 58.501 59.018 -0.141 0.000 1.306 88 C CB 0.279 28.087 27.740 0.114 0.000 1.897 88 C HN 0.787 nan 8.230 nan 0.000 0.446 89 F N 3.173 123.181 119.950 0.097 0.000 2.678 89 F HA 0.437 4.964 4.527 -0.000 0.000 0.305 89 F C 0.929 176.761 175.800 0.053 0.000 1.090 89 F CA 0.064 58.106 58.000 0.070 0.000 1.272 89 F CB 0.133 39.169 39.000 0.060 0.000 1.060 89 F HN 0.597 nan 8.300 nan 0.000 0.576 90 K N 0.621 121.119 120.400 0.163 0.000 2.575 90 K HA 0.529 4.849 4.320 -0.000 0.000 0.271 90 K C -0.931 175.711 176.600 0.070 0.000 1.013 90 K CA -0.457 55.895 56.287 0.109 0.000 0.939 90 K CB 0.909 33.475 32.500 0.110 0.000 1.328 90 K HN -0.070 nan 8.250 nan 0.000 0.450 91 A N 2.199 125.045 122.820 0.042 0.000 2.584 91 A HA 0.395 4.715 4.320 -0.000 0.000 0.239 91 A C 1.297 178.898 177.584 0.029 0.000 1.043 91 A CA 1.676 53.724 52.037 0.020 0.000 0.756 91 A CB -0.573 18.431 19.000 0.006 0.000 0.963 91 A HN 1.545 nan 8.150 nan 0.000 0.511 92 G N 1.173 109.989 108.800 0.027 0.000 2.213 92 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.226 92 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.226 92 G C 0.485 175.419 174.900 0.057 0.000 0.992 92 G CA 0.776 45.898 45.100 0.037 0.000 0.632 92 G HN 2.439 nan 8.290 nan 0.000 0.511 93 T N -2.796 111.800 114.554 0.070 0.000 2.887 93 T HA 0.814 5.164 4.350 -0.000 0.000 0.292 93 T C -0.880 173.880 174.700 0.101 0.000 1.087 93 T CA -0.219 61.936 62.100 0.091 0.000 1.009 93 T CB 2.814 71.740 68.868 0.096 0.000 1.203 93 T HN 1.561 nan 8.240 nan 0.000 0.518 94 V N 0.468 120.436 119.914 0.090 0.000 2.841 94 V HA 0.752 4.872 4.120 -0.000 0.000 0.310 94 V C -1.144 174.957 176.094 0.013 0.000 1.090 94 V CA -0.403 61.909 62.300 0.020 0.000 0.930 94 V CB 2.385 34.133 31.823 -0.124 0.000 1.014 94 V HN 1.189 nan 8.190 nan 0.000 0.425 95 S N 4.415 120.122 115.700 0.012 0.000 2.482 95 S HA 0.434 4.904 4.470 -0.000 0.000 0.303 95 S C -0.508 174.164 174.600 0.120 0.000 1.091 95 S CA -0.374 57.913 58.200 0.145 0.000 1.057 95 S CB 1.366 64.773 63.200 0.345 0.000 1.031 95 S HN 1.069 nan 8.310 nan 0.000 0.485 96 C N 5.807 125.259 119.300 0.252 0.000 2.637 96 C HA 0.245 4.705 4.460 -0.000 0.000 0.418 96 C C 1.988 177.091 174.990 0.189 0.000 1.319 96 C CA -0.595 58.603 59.018 0.300 0.000 1.949 96 C CB -0.682 27.282 27.740 0.374 0.000 2.639 96 C HN 1.063 nan 8.230 nan 0.000 0.594 97 W N 4.566 126.027 121.300 0.268 0.000 2.519 97 W HA -0.052 4.608 4.660 -0.000 0.000 0.266 97 W C 1.405 178.053 176.519 0.214 0.000 1.253 97 W CA 0.378 57.836 57.345 0.188 0.000 1.274 97 W CB -1.188 28.328 29.460 0.093 0.000 1.114 97 W HN 0.804 nan 8.180 nan 0.000 0.596 98 Y N 2.146 122.051 120.300 -0.659 0.000 2.138 98 Y HA -0.097 4.453 4.550 -0.000 0.000 0.286 98 Y C 1.523 177.134 175.900 -0.481 0.000 1.115 98 Y CA 1.727 59.422 58.100 -0.675 0.000 1.105 98 Y CB -0.969 36.837 38.460 -1.089 0.000 1.004 98 Y HN -0.012 nan 8.280 nan 0.000 0.494 99 H N -1.449 117.608 119.070 -0.021 0.000 2.785 99 H HA 0.364 4.920 4.556 -0.000 0.000 0.268 99 H C 1.305 176.740 175.328 0.179 0.000 1.153 99 H CA 0.293 56.353 56.048 0.020 0.000 1.111 99 H CB 0.372 30.089 29.762 -0.076 0.000 1.633 99 H HN 0.397 nan 8.280 nan 0.000 0.576 100 G N 0.217 109.185 108.800 0.280 0.000 2.153 100 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.252 100 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.252 100 G C -0.371 174.734 174.900 0.341 0.000 0.994 100 G CA -0.187 45.087 45.100 0.290 0.000 0.698 100 G HN 0.236 nan 8.290 nan 0.000 0.521 101 W N 1.091 122.432 121.300 0.068 0.000 2.322 101 W HA 0.520 5.180 4.660 -0.000 0.000 0.328 101 W C 0.796 177.264 176.519 -0.084 0.000 1.395 101 W CA 0.349 57.654 57.345 -0.066 0.000 1.267 101 W CB 0.355 29.793 29.460 -0.038 0.000 1.259 101 W HN 0.074 nan 8.180 nan 0.000 0.560 102 T N 4.780 119.284 114.554 -0.082 0.000 2.797 102 T HA 0.491 4.841 4.350 -0.000 0.000 0.279 102 T C -1.105 173.461 174.700 -0.224 0.000 0.991 102 T CA -0.442 61.637 62.100 -0.036 0.000 0.979 102 T CB 0.812 69.699 68.868 0.032 0.000 0.943 102 T HN 0.019 nan 8.240 nan 0.000 0.444 103 Y N 0.590 120.909 120.300 0.031 0.000 2.509 103 Y HA 0.430 4.980 4.550 -0.000 0.000 0.341 103 Y C 0.355 176.269 175.900 0.023 0.000 1.038 103 Y CA -1.495 56.626 58.100 0.035 0.000 1.089 103 Y CB 1.016 39.511 38.460 0.058 0.000 1.241 103 Y HN 0.498 nan 8.280 nan 0.000 0.468 104 D N 2.022 122.534 120.400 0.186 0.000 2.312 104 D HA 0.130 4.770 4.640 -0.000 0.000 0.252 104 D C 0.670 177.044 176.300 0.124 0.000 1.150 104 D CA 0.162 54.231 54.000 0.116 0.000 0.870 104 D CB 1.206 42.053 40.800 0.077 0.000 1.153 104 D HN 0.682 nan 8.370 nan 0.000 0.457 105 L N 2.931 124.213 121.223 0.099 0.000 2.275 105 L HA -0.120 4.220 4.340 -0.000 0.000 0.215 105 L C 1.534 178.452 176.870 0.081 0.000 1.119 105 L CA 0.639 55.535 54.840 0.092 0.000 0.790 105 L CB -0.046 42.060 42.059 0.079 0.000 0.919 105 L HN 0.387 nan 8.230 nan 0.000 0.443 106 D N 0.220 120.660 120.400 0.067 0.000 2.194 106 D HA -0.120 4.520 4.640 -0.000 0.000 0.204 106 D C 1.006 177.335 176.300 0.050 0.000 0.964 106 D CA 1.359 55.391 54.000 0.054 0.000 0.846 106 D CB 0.087 40.911 40.800 0.041 0.000 0.962 106 D HN 0.567 nan 8.370 nan 0.000 0.490 107 D N -2.409 118.025 120.400 0.057 0.000 2.525 107 D HA 0.175 4.815 4.640 -0.000 0.000 0.231 107 D C 1.428 177.769 176.300 0.069 0.000 1.216 107 D CA 0.398 54.428 54.000 0.049 0.000 0.813 107 D CB -0.004 40.819 40.800 0.038 0.000 1.108 107 D HN 0.065 nan 8.370 nan 0.000 0.524 108 G N 0.844 109.707 108.800 0.104 0.000 2.175 108 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.265 108 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.265 108 G C 0.232 175.286 174.900 0.256 0.000 0.979 108 G CA 0.111 45.303 45.100 0.153 0.000 0.663 108 G HN 0.351 nan 8.290 nan 0.000 0.533 109 R N -0.571 120.040 120.500 0.185 0.000 2.539 109 R HA 0.367 4.707 4.340 -0.000 0.000 0.275 109 R C 0.352 176.728 176.300 0.127 0.000 1.077 109 R CA -0.831 55.359 56.100 0.150 0.000 1.097 109 R CB 0.949 31.285 30.300 0.061 0.000 1.018 109 R HN 0.289 nan 8.270 nan 0.000 0.483 110 L N 4.188 125.411 121.223 0.001 0.000 2.407 110 L HA 0.007 4.347 4.340 -0.000 0.000 0.282 110 L C 0.986 177.720 176.870 -0.227 0.000 1.110 110 L CA 0.295 54.952 54.840 -0.304 0.000 0.863 110 L CB 0.840 42.652 42.059 -0.411 0.000 1.207 110 L HN 0.559 nan 8.230 nan 0.000 0.454 111 V N 0.449 120.246 119.914 -0.195 0.000 3.590 111 V HA 0.461 4.581 4.120 -0.000 0.000 0.265 111 V C 0.374 176.373 176.094 -0.159 0.000 1.239 111 V CA 0.332 62.553 62.300 -0.132 0.000 1.117 111 V CB -0.126 31.662 31.823 -0.059 0.000 0.818 111 V HN 0.801 nan 8.190 nan 0.000 0.451 112 D N -1.392 118.874 120.400 -0.224 0.000 2.742 112 D HA 0.433 5.073 4.640 -0.000 0.000 0.262 112 D C -1.798 174.342 176.300 -0.268 0.000 1.240 112 D CA -0.142 53.733 54.000 -0.208 0.000 0.752 112 D CB 2.597 43.328 40.800 -0.114 0.000 1.290 112 D HN -0.083 nan 8.370 nan 0.000 0.420 113 V N 3.049 122.823 119.914 -0.233 0.000 2.462 113 V HA 0.214 4.334 4.120 -0.000 0.000 0.288 113 V C 1.499 177.544 176.094 -0.081 0.000 1.020 113 V CA -0.509 61.669 62.300 -0.203 0.000 0.857 113 V CB 1.377 32.989 31.823 -0.351 0.000 1.013 113 V HN 0.560 nan 8.190 nan 0.000 0.431 114 L N 2.584 123.798 121.223 -0.014 0.000 2.127 114 L HA -0.131 4.209 4.340 -0.000 0.000 0.211 114 L C 2.460 179.321 176.870 -0.016 0.000 1.089 114 L CA 2.105 56.926 54.840 -0.031 0.000 0.757 114 L CB -0.471 41.565 42.059 -0.040 0.000 0.899 114 L HN 0.890 nan 8.230 nan 0.000 0.434 115 T N -5.698 108.877 114.554 0.035 0.000 3.100 115 T HA 0.021 4.370 4.350 -0.000 0.000 0.253 115 T C 0.906 175.615 174.700 0.014 0.000 1.118 115 T CA 0.365 62.491 62.100 0.043 0.000 1.058 115 T CB 0.273 69.205 68.868 0.106 0.000 0.953 115 T HN 0.122 nan 8.240 nan 0.000 0.515 116 S N 2.790 118.476 115.700 -0.023 0.000 2.564 116 S HA 0.353 4.823 4.470 -0.000 0.000 0.141 116 S C -3.055 171.494 174.600 -0.085 0.000 1.474 116 S CA -1.135 57.035 58.200 -0.050 0.000 1.236 116 S CB 0.685 63.853 63.200 -0.054 0.000 1.481 116 S HN 0.168 nan 8.310 nan 0.000 0.397 117 P HA 0.235 nan 4.420 nan 0.000 0.264 117 P C 1.002 178.251 177.300 -0.084 0.000 1.193 117 P CA 1.388 64.440 63.100 -0.081 0.000 0.763 117 P CB 0.425 32.088 31.700 -0.062 0.000 0.810 118 G N 1.702 110.442 108.800 -0.099 0.000 2.159 118 G HA2 -0.271 3.688 3.960 -0.000 0.000 0.256 118 G HA3 -0.271 3.688 3.960 -0.000 0.000 0.256 118 G C 0.440 175.274 174.900 -0.111 0.000 0.977 118 G CA 0.253 45.297 45.100 -0.094 0.000 0.652 118 G HN 0.811 nan 8.290 nan 0.000 0.531 119 S N 1.244 116.858 115.700 -0.143 0.000 2.558 119 S HA 0.340 4.810 4.470 -0.000 0.000 0.293 119 S C 0.306 174.804 174.600 -0.169 0.000 1.292 119 S CA 0.006 58.108 58.200 -0.162 0.000 1.063 119 S CB 0.966 64.026 63.200 -0.232 0.000 0.831 119 S HN 0.270 nan 8.310 nan 0.000 0.499 120 P HA -0.057 nan 4.420 nan 0.000 0.226 120 P C 1.364 178.576 177.300 -0.148 0.000 1.153 120 P CA 0.924 63.953 63.100 -0.118 0.000 0.777 120 P CB -0.363 31.288 31.700 -0.083 0.000 0.794 121 V N -3.206 116.580 119.914 -0.213 0.000 3.041 121 V HA 0.004 4.123 4.120 -0.000 0.000 0.260 121 V C 1.383 177.294 176.094 -0.306 0.000 1.105 121 V CA 0.250 62.393 62.300 -0.262 0.000 1.125 121 V CB -1.363 30.226 31.823 -0.391 0.000 0.730 121 V HN -0.128 nan 8.190 nan 0.000 0.479 122 I N 2.410 122.794 120.570 -0.309 0.000 2.683 122 I HA 0.401 4.571 4.170 -0.000 0.000 0.286 122 I C 1.636 177.645 176.117 -0.179 0.000 1.175 122 I CA 1.342 62.475 61.300 -0.279 0.000 1.429 122 I CB 0.199 38.054 38.000 -0.242 0.000 1.371 122 I HN 0.476 nan 8.210 nan 0.000 0.569 123 G N 5.001 113.709 108.800 -0.154 0.000 2.253 123 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.251 123 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.251 123 G C 0.941 175.799 174.900 -0.069 0.000 0.998 123 G CA 0.255 45.300 45.100 -0.092 0.000 0.621 123 G HN 0.655 nan 8.290 nan 0.000 0.524 124 K N -0.323 120.025 120.400 -0.086 0.000 2.374 124 K HA 0.512 4.832 4.320 -0.000 0.000 0.196 124 K C 0.662 177.249 176.600 -0.022 0.000 1.023 124 K CA 0.267 56.523 56.287 -0.052 0.000 1.103 124 K CB 0.619 33.083 32.500 -0.060 0.000 0.848 124 K HN 0.468 nan 8.250 nan 0.000 0.528 125 I N -0.366 120.188 120.570 -0.026 0.000 2.828 125 I HA 0.469 4.638 4.170 -0.000 0.000 0.302 125 I C -0.269 175.915 176.117 0.113 0.000 1.101 125 I CA -1.161 60.173 61.300 0.057 0.000 1.031 125 I CB 2.468 40.520 38.000 0.087 0.000 1.231 125 I HN -0.049 nan 8.210 nan 0.000 0.427 126 G N 3.832 112.747 108.800 0.191 0.000 2.646 126 G HA2 0.712 4.672 3.960 -0.000 0.000 0.291 126 G HA3 0.712 4.672 3.960 -0.000 0.000 0.291 126 G C -1.527 173.508 174.900 0.226 0.000 1.445 126 G CA -0.589 44.656 45.100 0.241 0.000 0.814 126 G HN 0.720 nan 8.290 nan 0.000 0.495 127 I N -2.184 118.503 120.570 0.196 0.000 3.108 127 I HA 0.834 5.004 4.170 -0.000 0.000 0.312 127 I C -0.339 175.789 176.117 0.018 0.000 1.095 127 I CA -1.517 59.830 61.300 0.080 0.000 1.000 127 I CB 2.282 40.280 38.000 -0.003 0.000 1.229 127 I HN 0.427 nan 8.210 nan 0.000 0.454 128 K N 2.918 123.292 120.400 -0.043 0.000 2.401 128 K HA 0.417 4.736 4.320 -0.000 0.000 0.278 128 K C -0.858 175.628 176.600 -0.191 0.000 1.018 128 K CA -0.116 56.068 56.287 -0.172 0.000 0.981 128 K CB 0.631 32.955 32.500 -0.294 0.000 0.933 128 K HN 0.619 nan 8.250 nan 0.000 0.477 129 V N 1.866 121.646 119.914 -0.224 0.000 2.769 129 V HA 0.615 4.735 4.120 -0.000 0.000 0.312 129 V C -1.162 174.808 176.094 -0.207 0.000 1.061 129 V CA -1.014 61.242 62.300 -0.074 0.000 0.931 129 V CB 1.080 32.918 31.823 0.025 0.000 1.010 129 V HN 0.640 nan 8.190 nan 0.000 0.433 130 Y N 1.760 122.091 120.300 0.052 0.000 2.429 130 Y HA 0.716 5.266 4.550 -0.000 0.000 0.342 130 Y C -2.429 173.513 175.900 0.070 0.000 1.004 130 Y CA -2.874 55.255 58.100 0.049 0.000 1.075 130 Y CB 1.565 40.051 38.460 0.044 0.000 1.214 130 Y HN 0.463 nan 8.280 nan 0.000 0.455 131 P HA 0.180 nan 4.420 nan 0.000 0.271 131 P C -1.052 176.465 177.300 0.361 0.000 1.216 131 P CA -0.026 63.187 63.100 0.189 0.000 0.776 131 P CB 0.772 32.485 31.700 0.021 0.000 0.881 132 V N 3.559 123.703 119.914 0.383 0.000 2.735 132 V HA 0.508 4.628 4.120 -0.000 0.000 0.310 132 V C -0.369 175.892 176.094 0.279 0.000 1.061 132 V CA -0.434 62.099 62.300 0.388 0.000 0.913 132 V CB 1.962 33.907 31.823 0.203 0.000 1.005 132 V HN 0.476 nan 8.190 nan 0.000 0.428 133 Q N 2.261 122.155 119.800 0.157 0.000 2.263 133 Q HA 0.588 4.928 4.340 -0.000 0.000 0.262 133 Q C -2.015 173.981 176.000 -0.008 0.000 0.984 133 Q CA -0.396 55.363 55.803 -0.074 0.000 0.813 133 Q CB 2.461 30.916 28.738 -0.471 0.000 1.299 133 Q HN 0.588 nan 8.270 nan 0.000 0.428 134 V N 2.403 122.307 119.914 -0.016 0.000 2.383 134 V HA 0.832 4.952 4.120 -0.000 0.000 0.275 134 V C -0.340 175.762 176.094 0.012 0.000 1.036 134 V CA -0.222 62.068 62.300 -0.016 0.000 0.889 134 V CB 1.059 32.854 31.823 -0.047 0.000 0.985 134 V HN 0.780 nan 8.190 nan 0.000 0.459 135 A N 4.081 126.960 122.820 0.099 0.000 2.427 135 A HA 0.685 5.005 4.320 -0.000 0.000 0.298 135 A C -0.049 177.626 177.584 0.152 0.000 1.036 135 A CA -0.470 51.637 52.037 0.117 0.000 0.701 135 A CB 1.569 20.643 19.000 0.124 0.000 1.250 135 A HN 0.748 nan 8.150 nan 0.000 0.412 136 Q N 0.720 120.537 119.800 0.029 0.000 2.457 136 Q HA -0.256 4.084 4.340 -0.000 0.000 0.283 136 Q C 1.056 177.001 176.000 -0.091 0.000 1.234 136 Q CA 1.937 57.696 55.803 -0.073 0.000 0.877 136 Q CB -2.086 26.560 28.738 -0.154 0.000 1.250 136 Q HN 2.599 nan 8.270 nan 0.000 0.481 137 G N -2.200 106.545 108.800 -0.091 0.000 2.168 137 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.263 137 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.263 137 G C 0.194 175.047 174.900 -0.078 0.000 0.977 137 G CA 0.292 45.316 45.100 -0.126 0.000 0.659 137 G HN 0.412 nan 8.290 nan 0.000 0.533 138 V N 0.806 120.637 119.914 -0.139 0.000 2.435 138 V HA 0.575 4.695 4.120 -0.000 0.000 0.290 138 V C 0.618 176.350 176.094 -0.604 0.000 1.030 138 V CA -0.870 61.155 62.300 -0.458 0.000 0.881 138 V CB 2.001 33.410 31.823 -0.689 0.000 0.983 138 V HN 0.206 nan 8.190 nan 0.000 0.445 139 V N 5.733 125.286 119.914 -0.601 0.000 2.389 139 V HA 0.365 4.485 4.120 -0.000 0.000 0.264 139 V C -0.356 175.398 176.094 -0.567 0.000 1.049 139 V CA -0.082 61.973 62.300 -0.410 0.000 0.932 139 V CB 0.259 31.946 31.823 -0.226 0.000 1.011 139 V HN 0.599 nan 8.190 nan 0.000 0.475 140 F N 3.857 123.727 119.950 -0.134 0.000 2.422 140 F HA 0.653 5.180 4.527 -0.000 0.000 0.333 140 F C 0.175 176.119 175.800 0.238 0.000 1.095 140 F CA -0.667 57.307 58.000 -0.043 0.000 1.038 140 F CB 1.864 40.773 39.000 -0.152 0.000 1.156 140 F HN 0.155 nan 8.300 nan 0.000 0.483 141 V N 3.723 123.912 119.914 0.459 0.000 2.540 141 V HA 0.273 4.393 4.120 -0.000 0.000 0.302 141 V C -0.906 175.341 176.094 0.254 0.000 1.035 141 V CA -1.001 61.513 62.300 0.355 0.000 0.873 141 V CB 1.849 33.713 31.823 0.068 0.000 0.992 141 V HN 0.529 nan 8.190 nan 0.000 0.428 142 F N 6.090 125.894 119.950 -0.245 0.000 2.413 142 F HA 0.527 5.054 4.527 -0.000 0.000 0.359 142 F C -0.064 175.609 175.800 -0.212 0.000 1.122 142 F CA -0.560 57.016 58.000 -0.708 0.000 1.160 142 F CB 0.405 38.527 39.000 -1.464 0.000 1.146 142 F HN 0.241 nan 8.300 nan 0.000 0.514 143 I N 5.849 126.053 120.570 -0.609 0.000 2.336 143 I HA 0.662 4.832 4.170 -0.000 0.000 0.292 143 I C 0.441 176.261 176.117 -0.496 0.000 0.991 143 I CA -0.277 60.851 61.300 -0.286 0.000 1.227 143 I CB 0.469 38.398 38.000 -0.118 0.000 1.366 143 I HN 0.739 nan 8.210 nan 0.000 0.466 144 G N 5.685 114.357 108.800 -0.214 0.000 2.359 144 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.314 144 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.314 144 G C -0.431 174.460 174.900 -0.015 0.000 1.364 144 G CA -0.596 44.413 45.100 -0.152 0.000 0.978 144 G HN 0.434 nan 8.290 nan 0.000 0.615 145 D N 0.058 120.465 120.400 0.011 0.000 2.346 145 D HA 0.094 4.734 4.640 -0.000 0.000 0.206 145 D C 1.060 177.387 176.300 0.045 0.000 1.001 145 D CA 0.703 54.714 54.000 0.018 0.000 0.871 145 D CB 0.566 41.369 40.800 0.005 0.000 0.943 145 D HN 0.560 nan 8.370 nan 0.000 0.518 146 E N 1.100 121.358 120.200 0.097 0.000 2.369 146 E HA 0.124 4.474 4.350 -0.000 0.000 0.255 146 E C 0.339 176.960 176.600 0.034 0.000 1.172 146 E CA -0.347 56.100 56.400 0.077 0.000 0.932 146 E CB 1.308 31.067 29.700 0.097 0.000 1.040 146 E HN 0.041 nan 8.360 nan 0.000 0.454 147 E N 1.989 122.135 120.200 -0.090 0.000 2.383 147 E HA 0.103 4.453 4.350 -0.000 0.000 0.264 147 E C -2.092 174.163 176.600 -0.575 0.000 1.050 147 E CA -1.818 54.441 56.400 -0.236 0.000 0.896 147 E CB 0.559 30.166 29.700 -0.156 0.000 0.982 147 E HN 0.164 nan 8.360 nan 0.000 0.424 148 P HA 0.061 nan 4.420 nan 0.000 0.275 148 P C -0.856 176.015 177.300 -0.715 0.000 1.228 148 P CA 0.091 62.208 63.100 -1.639 0.000 0.786 148 P CB 0.712 31.557 31.700 -1.425 0.000 0.927 149 H N 0.380 119.180 119.070 -0.450 0.000 2.748 149 H HA 0.607 5.163 4.556 -0.000 0.000 0.315 149 H C -0.221 175.158 175.328 0.086 0.000 1.429 149 H CA -1.240 54.724 56.048 -0.140 0.000 1.444 149 H CB 0.308 29.967 29.762 -0.172 0.000 1.827 149 H HN 0.486 nan 8.280 nan 0.000 0.754 150 A N 1.355 124.293 122.820 0.197 0.000 2.548 150 A HA 0.019 4.339 4.320 -0.000 0.000 0.247 150 A C 1.398 179.018 177.584 0.059 0.000 1.067 150 A CA -0.310 51.774 52.037 0.077 0.000 0.757 150 A CB -0.268 18.744 19.000 0.021 0.000 0.996 150 A HN 0.676 nan 8.150 nan 0.000 0.504 151 L N 3.940 124.985 121.223 -0.296 0.000 2.129 151 L HA -0.198 4.142 4.340 -0.000 0.000 0.212 151 L C 2.575 179.226 176.870 -0.366 0.000 1.087 151 L CA 3.007 57.438 54.840 -0.682 0.000 0.757 151 L CB -0.783 40.632 42.059 -1.074 0.000 0.896 151 L HN 0.878 nan 8.230 nan 0.000 0.434 152 S N -1.280 114.277 115.700 -0.238 0.000 2.440 152 S HA -0.210 4.260 4.470 -0.000 0.000 0.238 152 S C 1.629 176.181 174.600 -0.080 0.000 1.010 152 S CA 1.260 59.358 58.200 -0.170 0.000 0.972 152 S CB -0.789 62.344 63.200 -0.112 0.000 0.774 152 S HN 0.721 nan 8.310 nan 0.000 0.501 153 E N 1.009 121.209 120.200 -0.000 0.000 2.347 153 E HA -0.031 4.319 4.350 -0.000 0.000 0.196 153 E C 0.321 176.977 176.600 0.094 0.000 1.008 153 E CA 0.784 57.217 56.400 0.055 0.000 0.852 153 E CB -0.090 29.517 29.700 -0.155 0.000 0.783 153 E HN 0.575 nan 8.360 nan 0.000 0.505 154 D N 0.424 120.863 120.400 0.065 0.000 2.525 154 D HA 0.218 4.858 4.640 -0.000 0.000 0.229 154 D C -0.224 176.038 176.300 -0.063 0.000 1.202 154 D CA 0.198 54.249 54.000 0.085 0.000 0.828 154 D CB 0.555 41.461 40.800 0.177 0.000 1.008 154 D HN 0.051 nan 8.370 nan 0.000 0.493 155 L N 0.206 121.345 121.223 -0.141 0.000 2.393 155 L HA 0.424 4.764 4.340 -0.000 0.000 0.260 155 L C -2.576 174.099 176.870 -0.325 0.000 1.002 155 L CA -2.186 52.477 54.840 -0.296 0.000 0.818 155 L CB 2.847 44.600 42.059 -0.510 0.000 1.369 155 L HN -0.347 nan 8.230 nan 0.000 0.412 156 P HA 0.129 nan 4.420 nan 0.000 0.271 156 P C -2.510 174.433 177.300 -0.596 0.000 1.218 156 P CA -1.014 61.590 63.100 -0.826 0.000 0.780 156 P CB -0.110 31.387 31.700 -0.337 0.000 0.901 157 P HA -0.014 nan 4.420 nan 0.000 0.266 157 P C 0.847 178.045 177.300 -0.170 0.000 1.195 157 P CA 0.905 63.745 63.100 -0.432 0.000 0.768 157 P CB 0.308 31.712 31.700 -0.492 0.000 0.838 158 G N 2.308 111.058 108.800 -0.083 0.000 2.258 158 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.233 158 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.233 158 G C 0.692 175.611 174.900 0.032 0.000 1.006 158 G CA 0.226 45.330 45.100 0.008 0.000 0.620 158 G HN 0.477 nan 8.290 nan 0.000 0.511 159 F N 1.446 121.273 119.950 -0.205 0.000 2.126 159 F HA 0.174 4.701 4.527 -0.000 0.000 0.299 159 F C 2.240 177.895 175.800 -0.241 0.000 1.096 159 F CA 2.238 59.979 58.000 -0.431 0.000 1.255 159 F CB -0.073 38.550 39.000 -0.628 0.000 0.997 159 F HN 0.193 nan 8.300 nan 0.000 0.479 160 L N -0.066 121.177 121.223 0.034 0.000 2.612 160 L HA 0.050 4.389 4.340 -0.000 0.000 0.230 160 L C -0.195 176.636 176.870 -0.065 0.000 1.140 160 L CA -0.326 54.507 54.840 -0.012 0.000 0.896 160 L CB -0.838 41.216 42.059 -0.008 0.000 1.065 160 L HN -0.125 nan 8.230 nan 0.000 0.447 161 D N 1.778 122.133 120.400 -0.075 0.000 2.586 161 D HA -0.118 4.522 4.640 -0.000 0.000 0.234 161 D C 1.422 177.685 176.300 -0.061 0.000 1.132 161 D CA 0.386 54.350 54.000 -0.060 0.000 0.860 161 D CB 0.865 41.634 40.800 -0.051 0.000 1.159 161 D HN 0.426 nan 8.370 nan 0.000 0.490 162 E N 1.787 121.961 120.200 -0.043 0.000 2.204 162 E HA -0.199 4.151 4.350 -0.000 0.000 0.194 162 E C 0.479 177.066 176.600 -0.022 0.000 0.989 162 E CA 0.662 57.043 56.400 -0.031 0.000 0.824 162 E CB 0.015 29.701 29.700 -0.024 0.000 0.756 162 E HN 0.385 nan 8.360 nan 0.000 0.477 163 D N 1.865 122.250 120.400 -0.026 0.000 2.519 163 D HA -0.016 4.624 4.640 -0.000 0.000 0.238 163 D C 0.043 176.327 176.300 -0.028 0.000 1.192 163 D CA 0.193 54.180 54.000 -0.021 0.000 0.835 163 D CB -0.065 40.722 40.800 -0.022 0.000 0.975 163 D HN 0.201 nan 8.370 nan 0.000 0.490 164 T N -3.725 110.811 114.554 -0.029 0.000 2.838 164 T HA 0.533 4.883 4.350 -0.000 0.000 0.292 164 T C -1.240 173.475 174.700 0.025 0.000 1.113 164 T CA -0.898 61.178 62.100 -0.040 0.000 1.008 164 T CB 2.469 71.284 68.868 -0.088 0.000 1.259 164 T HN 0.156 nan 8.240 nan 0.000 0.520 165 H N -0.959 118.061 119.070 -0.084 0.000 2.806 165 H HA 0.743 5.299 4.556 -0.000 0.000 0.367 165 H C -1.811 173.569 175.328 0.087 0.000 1.136 165 H CA -0.758 55.301 56.048 0.019 0.000 1.178 165 H CB 1.294 31.134 29.762 0.129 0.000 1.718 165 H HN 0.591 nan 8.280 nan 0.000 0.540 166 L N 4.470 125.454 121.223 -0.399 0.000 2.362 166 L HA 0.550 4.889 4.340 -0.000 0.000 0.271 166 L C -1.116 175.623 176.870 -0.218 0.000 1.002 166 L CA -0.375 54.374 54.840 -0.152 0.000 0.818 166 L CB 1.825 43.732 42.059 -0.253 0.000 1.298 166 L HN 0.506 nan 8.230 nan 0.000 0.420 167 L N 1.639 122.747 121.223 -0.191 0.000 2.455 167 L HA 0.945 5.285 4.340 -0.000 0.000 0.264 167 L C -0.105 176.420 176.870 -0.575 0.000 0.968 167 L CA -0.378 54.056 54.840 -0.677 0.000 0.827 167 L CB 2.197 43.359 42.059 -1.494 0.000 1.317 167 L HN 0.729 nan 8.230 nan 0.000 0.407 168 G N 2.149 110.607 108.800 -0.570 0.000 2.600 168 G HA2 0.769 4.729 3.960 -0.000 0.000 0.293 168 G HA3 0.769 4.729 3.960 -0.000 0.000 0.293 168 G C -1.644 172.910 174.900 -0.577 0.000 1.408 168 G CA -0.549 44.436 45.100 -0.191 0.000 0.782 168 G HN 0.676 nan 8.290 nan 0.000 0.482 169 I N -2.524 117.982 120.570 -0.108 0.000 3.264 169 I HA 0.952 5.122 4.170 -0.000 0.000 0.315 169 I C -0.782 175.409 176.117 0.124 0.000 1.154 169 I CA -1.540 59.698 61.300 -0.104 0.000 0.962 169 I CB 2.690 40.643 38.000 -0.078 0.000 1.265 169 I HN 0.825 nan 8.210 nan 0.000 0.463 170 R N 1.942 122.442 120.500 0.001 0.000 2.698 170 R HA 0.811 5.151 4.340 -0.000 0.000 0.275 170 R C -1.512 174.670 176.300 -0.198 0.000 1.001 170 R CA -0.931 54.969 56.100 -0.334 0.000 0.896 170 R CB 2.438 32.207 30.300 -0.885 0.000 1.218 170 R HN 1.003 nan 8.270 nan 0.000 0.462 171 R N 0.351 120.750 120.500 -0.169 0.000 2.734 171 R HA 0.404 4.744 4.340 -0.000 0.000 0.271 171 R C -1.502 174.791 176.300 -0.011 0.000 1.021 171 R CA -0.900 55.178 56.100 -0.036 0.000 0.893 171 R CB 1.944 32.281 30.300 0.060 0.000 1.244 171 R HN 0.546 nan 8.270 nan 0.000 0.464 172 T N 1.456 116.010 114.554 0.000 0.000 2.845 172 T HA 0.421 4.771 4.350 -0.000 0.000 0.288 172 T C -0.493 174.190 174.700 -0.029 0.000 0.980 172 T CA -0.413 61.677 62.100 -0.016 0.000 1.071 172 T CB 1.296 70.165 68.868 0.001 0.000 0.941 172 T HN 0.306 nan 8.240 nan 0.000 0.487 173 V N 4.005 123.828 119.914 -0.152 0.000 2.540 173 V HA 0.282 4.402 4.120 -0.000 0.000 0.302 173 V C 0.032 176.086 176.094 -0.066 0.000 1.035 173 V CA -0.957 61.244 62.300 -0.165 0.000 0.873 173 V CB 1.991 33.557 31.823 -0.430 0.000 0.992 173 V HN 0.728 nan 8.190 nan 0.000 0.428 174 Q N 3.305 123.131 119.800 0.043 0.000 3.254 174 Q HA 0.292 4.632 4.340 -0.000 0.000 0.315 174 Q C 0.213 176.297 176.000 0.141 0.000 1.405 174 Q CA 0.021 55.879 55.803 0.092 0.000 0.966 174 Q CB 0.397 29.186 28.738 0.085 0.000 1.706 174 Q HN 0.877 nan 8.270 nan 0.000 0.525 175 S N -0.723 115.109 115.700 0.219 0.000 2.565 175 S HA 0.301 4.771 4.470 -0.000 0.000 0.269 175 S C -0.532 174.262 174.600 0.323 0.000 1.153 175 S CA -1.029 57.313 58.200 0.236 0.000 0.835 175 S CB 1.645 64.970 63.200 0.208 0.000 1.122 175 S HN 0.392 nan 8.310 nan 0.000 0.462 176 N N 1.587 120.396 118.700 0.182 0.000 2.395 176 N HA -0.038 4.702 4.740 -0.000 0.000 0.246 176 N C 1.573 177.090 175.510 0.011 0.000 1.246 176 N CA 0.424 53.567 53.050 0.155 0.000 0.879 176 N CB 0.400 38.938 38.487 0.086 0.000 1.098 176 N HN 0.946 nan 8.380 nan 0.000 0.444 177 W N 5.185 126.437 121.300 -0.081 0.000 2.350 177 W HA -0.134 4.526 4.660 -0.000 0.000 0.289 177 W C 1.175 177.523 176.519 -0.286 0.000 1.215 177 W CA 0.343 57.508 57.345 -0.300 0.000 1.236 177 W CB -0.752 28.678 29.460 -0.049 0.000 1.130 177 W HN 0.590 nan 8.180 nan 0.000 0.541 178 R N 0.825 120.585 120.500 -1.233 0.000 2.120 178 R HA -0.045 4.295 4.340 -0.000 0.000 0.234 178 R C 2.494 178.508 176.300 -0.477 0.000 1.123 178 R CA 1.689 57.173 56.100 -1.027 0.000 0.975 178 R CB -0.524 29.198 30.300 -0.963 0.000 0.866 178 R HN 0.256 nan 8.270 nan 0.000 0.446 179 L N -0.695 120.280 121.223 -0.413 0.000 2.291 179 L HA -0.019 4.321 4.340 -0.000 0.000 0.214 179 L C 2.375 179.015 176.870 -0.384 0.000 1.120 179 L CA 1.002 55.618 54.840 -0.373 0.000 0.799 179 L CB -0.532 41.354 42.059 -0.289 0.000 0.925 179 L HN 0.349 nan 8.230 nan 0.000 0.446 180 G N -0.193 108.305 108.800 -0.504 0.000 2.394 180 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.214 180 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.214 180 G C 1.588 175.850 174.900 -1.064 0.000 1.176 180 G CA 0.622 45.404 45.100 -0.531 0.000 0.786 180 G HN 0.130 nan 8.290 nan 0.000 0.533 181 V N 1.031 120.245 119.914 -1.167 0.000 2.287 181 V HA -0.190 3.930 4.120 -0.000 0.000 0.248 181 V C 2.614 178.332 176.094 -0.628 0.000 1.053 181 V CA 2.237 63.870 62.300 -1.112 0.000 1.027 181 V CB -0.559 30.896 31.823 -0.612 0.000 0.646 181 V HN 0.460 nan 8.190 nan 0.000 0.447 182 E N 0.032 119.987 120.200 -0.408 0.000 2.274 182 E HA -0.162 4.188 4.350 -0.000 0.000 0.194 182 E C 2.117 178.562 176.600 -0.260 0.000 0.996 182 E CA 0.792 57.053 56.400 -0.231 0.000 0.840 182 E CB -0.231 29.390 29.700 -0.132 0.000 0.772 182 E HN 0.676 nan 8.360 nan 0.000 0.491 183 N N 0.746 119.239 118.700 -0.346 0.000 2.250 183 N HA -0.096 4.644 4.740 -0.000 0.000 0.181 183 N C 1.946 177.191 175.510 -0.442 0.000 1.017 183 N CA 1.215 54.024 53.050 -0.401 0.000 0.866 183 N CB 0.067 38.354 38.487 -0.334 0.000 0.985 183 N HN 0.114 nan 8.380 nan 0.000 0.429 184 G N -0.199 108.452 108.800 -0.248 0.000 2.394 184 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.215 184 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.215 184 G C 0.534 175.466 174.900 0.053 0.000 1.165 184 G CA 0.010 45.104 45.100 -0.009 0.000 0.784 184 G HN 0.332 nan 8.290 nan 0.000 0.535 185 F N 2.288 122.108 119.950 -0.216 0.000 2.759 185 F HA 0.422 4.948 4.527 -0.000 0.000 0.322 185 F C -0.668 175.059 175.800 -0.122 0.000 1.199 185 F CA -1.985 55.907 58.000 -0.179 0.000 1.272 185 F CB 0.035 38.858 39.000 -0.297 0.000 1.467 185 F HN -0.089 nan 8.300 nan 0.000 0.561 186 D N 0.985 121.305 120.400 -0.133 0.000 2.542 186 D HA 0.096 4.736 4.640 -0.000 0.000 0.252 186 D C 0.994 177.361 176.300 0.111 0.000 1.222 186 D CA 0.028 53.986 54.000 -0.070 0.000 0.895 186 D CB 1.771 42.537 40.800 -0.057 0.000 1.207 186 D HN 0.330 nan 8.370 nan 0.000 0.558 187 T N -0.377 114.156 114.554 -0.034 0.000 3.118 187 T HA -0.055 4.294 4.350 -0.000 0.000 0.260 187 T C 1.278 176.062 174.700 0.139 0.000 1.139 187 T CA 1.220 63.344 62.100 0.040 0.000 1.085 187 T CB -0.074 68.768 68.868 -0.044 0.000 0.934 187 T HN 0.366 nan 8.240 nan 0.000 0.518 188 T N -1.148 113.496 114.554 0.150 0.000 3.003 188 T HA 0.128 4.478 4.350 -0.000 0.000 0.261 188 T C 1.688 176.497 174.700 0.182 0.000 1.003 188 T CA 0.148 62.340 62.100 0.153 0.000 0.917 188 T CB -0.422 68.576 68.868 0.217 0.000 1.084 188 T HN 0.654 nan 8.240 nan 0.000 0.522 189 H N 2.814 121.961 119.070 0.129 0.000 2.495 189 H HA 0.060 4.616 4.556 -0.000 0.000 0.287 189 H C 1.969 177.385 175.328 0.146 0.000 1.033 189 H CA 1.106 57.222 56.048 0.114 0.000 1.307 189 H CB -0.635 29.151 29.762 0.041 0.000 1.401 189 H HN 0.633 nan 8.280 nan 0.000 0.555 190 I N -1.797 118.481 120.570 -0.487 0.000 2.761 190 I HA -0.206 3.964 4.170 -0.000 0.000 0.266 190 I C 2.236 178.430 176.117 0.128 0.000 1.239 190 I CA 1.023 62.233 61.300 -0.151 0.000 1.451 190 I CB -1.075 36.899 38.000 -0.043 0.000 1.096 190 I HN 0.009 nan 8.210 nan 0.000 0.465 191 F N 3.559 123.499 119.950 -0.018 0.000 2.161 191 F HA -0.235 4.292 4.527 -0.000 0.000 0.300 191 F C 2.342 178.186 175.800 0.073 0.000 1.089 191 F CA 2.232 60.289 58.000 0.094 0.000 1.282 191 F CB -0.302 38.727 39.000 0.049 0.000 1.010 191 F HN 0.239 nan 8.300 nan 0.000 0.485 192 M N -1.392 118.121 119.600 -0.145 0.000 2.557 192 M HA -0.062 4.418 4.480 -0.000 0.000 0.259 192 M C 0.889 177.006 176.300 -0.305 0.000 1.086 192 M CA 1.546 56.669 55.300 -0.294 0.000 1.096 192 M CB -0.720 31.709 32.600 -0.284 0.000 1.424 192 M HN 0.054 nan 8.290 nan 0.000 0.488 193 H N 1.530 120.563 119.070 -0.063 0.000 2.551 193 H HA 0.170 4.726 4.556 -0.000 0.000 0.271 193 H C 1.848 177.207 175.328 0.051 0.000 0.984 193 H CA 0.767 56.753 56.048 -0.103 0.000 1.164 193 H CB -0.245 29.392 29.762 -0.209 0.000 1.437 193 H HN 0.639 nan 8.280 nan 0.000 0.550 194 R N 0.831 121.450 120.500 0.197 0.000 2.154 194 R HA -0.112 4.228 4.340 -0.000 0.000 0.248 194 R C 0.515 176.912 176.300 0.161 0.000 1.155 194 R CA 1.547 57.790 56.100 0.239 0.000 0.979 194 R CB -0.139 30.306 30.300 0.241 0.000 0.869 194 R HN 0.055 nan 8.270 nan 0.000 0.452 195 N N 0.786 119.542 118.700 0.093 0.000 2.235 195 N HA 0.004 4.743 4.740 -0.000 0.000 0.209 195 N C -0.440 175.131 175.510 0.102 0.000 1.122 195 N CA 0.139 53.242 53.050 0.088 0.000 0.845 195 N CB 0.979 39.500 38.487 0.056 0.000 1.004 195 N HN 0.184 nan 8.380 nan 0.000 0.499 196 S N 2.531 118.303 115.700 0.120 0.000 2.549 196 S HA 0.097 4.567 4.470 -0.000 0.000 0.286 196 S C -1.065 173.645 174.600 0.184 0.000 1.314 196 S CA -0.964 57.329 58.200 0.156 0.000 1.062 196 S CB 0.961 64.267 63.200 0.176 0.000 0.865 196 S HN 0.111 nan 8.310 nan 0.000 0.498 197 P HA -0.074 nan 4.420 nan 0.000 0.228 197 P C 1.292 178.721 177.300 0.215 0.000 1.151 197 P CA 0.707 63.906 63.100 0.165 0.000 0.770 197 P CB -0.109 31.681 31.700 0.150 0.000 0.786 198 W N 1.034 122.389 121.300 0.092 0.000 2.436 198 W HA -0.103 4.557 4.660 -0.000 0.000 0.284 198 W C 1.458 177.984 176.519 0.012 0.000 1.225 198 W CA 0.464 57.851 57.345 0.071 0.000 1.271 198 W CB -0.204 29.338 29.460 0.137 0.000 1.114 198 W HN -0.242 nan 8.180 nan 0.000 0.559 199 V N 1.635 121.562 119.914 0.022 0.000 2.255 199 V HA -0.365 3.755 4.120 -0.000 0.000 0.247 199 V C 2.614 178.616 176.094 -0.154 0.000 1.051 199 V CA 2.769 64.998 62.300 -0.119 0.000 1.018 199 V CB -1.285 30.536 31.823 -0.003 0.000 0.641 199 V HN 0.308 nan 8.190 nan 0.000 0.445 200 S N 0.351 116.002 115.700 -0.082 0.000 2.425 200 S HA 0.020 4.490 4.470 -0.000 0.000 0.225 200 S C 2.122 176.628 174.600 -0.157 0.000 1.024 200 S CA 0.927 59.077 58.200 -0.084 0.000 0.951 200 S CB -0.565 62.621 63.200 -0.022 0.000 0.796 200 S HN 0.516 nan 8.310 nan 0.000 0.498 201 G N 2.101 110.794 108.800 -0.177 0.000 2.469 201 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.219 201 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.219 201 G C 1.244 175.871 174.900 -0.455 0.000 1.150 201 G CA 1.083 46.048 45.100 -0.224 0.000 0.763 201 G HN 0.602 nan 8.290 nan 0.000 0.561 202 N N -0.314 117.911 118.700 -0.792 0.000 2.389 202 N HA 0.098 4.838 4.740 -0.000 0.000 0.260 202 N C 0.218 175.463 175.510 -0.441 0.000 1.191 202 N CA -0.468 52.106 53.050 -0.793 0.000 0.885 202 N CB -0.253 37.353 38.487 -1.468 0.000 1.162 202 N HN 0.161 nan 8.380 nan 0.000 0.512 203 R N 0.255 120.579 120.500 -0.294 0.000 3.034 203 R HA -0.187 4.153 4.340 -0.000 0.000 0.237 203 R C -0.575 175.651 176.300 -0.125 0.000 0.861 203 R CA 0.460 56.463 56.100 -0.162 0.000 0.588 203 R CB -1.713 28.519 30.300 -0.113 0.000 1.035 203 R HN 0.383 nan 8.270 nan 0.000 0.488 204 L N 0.338 121.481 121.223 -0.133 0.000 2.371 204 L HA 0.373 4.713 4.340 -0.000 0.000 0.272 204 L C 1.077 178.021 176.870 0.124 0.000 1.124 204 L CA -0.407 54.425 54.840 -0.013 0.000 0.816 204 L CB 1.204 43.251 42.059 -0.020 0.000 1.129 204 L HN 0.250 nan 8.230 nan 0.000 0.448 205 A N 3.638 126.567 122.820 0.182 0.000 2.666 205 A HA 0.350 4.670 4.320 -0.000 0.000 0.312 205 A C -0.790 177.057 177.584 0.438 0.000 1.471 205 A CA -0.037 52.143 52.037 0.238 0.000 1.134 205 A CB -0.683 18.423 19.000 0.177 0.000 1.129 205 A HN 0.469 nan 8.150 nan 0.000 0.539 206 F N 5.789 125.879 119.950 0.233 0.000 2.382 206 F HA 0.469 4.996 4.527 -0.000 0.000 0.361 206 F C -2.043 173.720 175.800 -0.060 0.000 1.109 206 F CA -2.247 55.838 58.000 0.142 0.000 1.031 206 F CB 1.909 40.995 39.000 0.145 0.000 1.234 206 F HN 0.404 nan 8.300 nan 0.000 0.445 207 P HA 0.072 nan 4.420 nan 0.000 0.277 207 P C -0.115 176.679 177.300 -0.842 0.000 1.271 207 P CA -0.032 62.369 63.100 -1.164 0.000 0.795 207 P CB 1.129 31.738 31.700 -1.818 0.000 1.101 208 Y N -0.915 119.160 120.300 -0.376 0.000 2.544 208 Y HA 0.335 4.885 4.550 -0.000 0.000 0.286 208 Y C 1.680 177.484 175.900 -0.161 0.000 1.141 208 Y CA 1.084 59.132 58.100 -0.087 0.000 1.299 208 Y CB -0.261 38.264 38.460 0.108 0.000 1.030 208 Y HN 0.560 nan 8.280 nan 0.000 0.543 209 G N -1.506 107.096 108.800 -0.330 0.000 2.387 209 G HA2 0.414 4.374 3.960 -0.000 0.000 0.294 209 G HA3 0.414 4.374 3.960 -0.000 0.000 0.294 209 G C -2.048 172.554 174.900 -0.496 0.000 1.509 209 G CA -0.997 43.932 45.100 -0.286 0.000 0.806 209 G HN -0.147 nan 8.290 nan 0.000 0.546 210 F N 0.474 120.375 119.950 -0.081 0.000 2.477 210 F HA 0.594 5.121 4.527 -0.000 0.000 0.335 210 F C 0.282 176.195 175.800 0.188 0.000 1.130 210 F CA -0.795 57.208 58.000 0.006 0.000 0.948 210 F CB 2.504 41.423 39.000 -0.135 0.000 1.154 210 F HN 0.273 nan 8.300 nan 0.000 0.439 211 V N 5.228 125.331 119.914 0.315 0.000 2.398 211 V HA 0.390 4.510 4.120 -0.000 0.000 0.286 211 V C -2.256 173.748 176.094 -0.150 0.000 1.026 211 V CA -2.370 59.983 62.300 0.088 0.000 0.868 211 V CB 1.737 33.559 31.823 -0.002 0.000 0.982 211 V HN 0.465 nan 8.190 nan 0.000 0.443 212 P HA 0.177 nan 4.420 nan 0.000 0.265 212 P C -0.178 176.872 177.300 -0.417 0.000 1.222 212 P CA 0.259 62.817 63.100 -0.903 0.000 0.767 212 P CB 0.667 31.965 31.700 -0.671 0.000 0.801 213 A N 2.899 125.519 122.820 -0.333 0.000 2.643 213 A HA 0.327 4.647 4.320 -0.000 0.000 0.295 213 A C -0.121 177.389 177.584 -0.123 0.000 1.065 213 A CA 0.029 51.971 52.037 -0.157 0.000 0.986 213 A CB -0.006 18.950 19.000 -0.074 0.000 1.212 213 A HN 0.434 nan 8.150 nan 0.000 0.516 214 D N -1.302 119.002 120.400 -0.160 0.000 2.648 214 D HA 0.164 4.804 4.640 -0.000 0.000 0.244 214 D C 0.255 176.494 176.300 -0.101 0.000 1.244 214 D CA -0.502 53.439 54.000 -0.099 0.000 0.772 214 D CB 1.211 41.972 40.800 -0.065 0.000 1.379 214 D HN -0.075 nan 8.370 nan 0.000 0.428 215 R N 0.681 121.143 120.500 -0.063 0.000 2.148 215 R HA -0.006 4.334 4.340 -0.000 0.000 0.223 215 R C 0.174 176.446 176.300 -0.047 0.000 1.088 215 R CA 1.031 57.097 56.100 -0.055 0.000 0.985 215 R CB 0.017 30.293 30.300 -0.039 0.000 0.880 215 R HN 0.445 nan 8.270 nan 0.000 0.451 216 D N -0.108 120.271 120.400 -0.034 0.000 2.358 216 D HA 0.111 4.751 4.640 -0.000 0.000 0.224 216 D C 1.111 177.417 176.300 0.010 0.000 1.123 216 D CA 0.198 54.191 54.000 -0.012 0.000 0.833 216 D CB 0.662 41.464 40.800 0.003 0.000 0.946 216 D HN 0.130 nan 8.370 nan 0.000 0.505 217 A N 0.975 123.776 122.820 -0.031 0.000 1.933 217 A HA -0.100 4.220 4.320 -0.000 0.000 0.218 217 A C 1.264 178.943 177.584 0.159 0.000 1.175 217 A CA 0.995 53.026 52.037 -0.011 0.000 0.628 217 A CB -0.240 18.543 19.000 -0.362 0.000 0.814 217 A HN 0.310 nan 8.150 nan 0.000 0.444 218 M N -1.372 118.269 119.600 0.068 0.000 2.327 218 M HA 0.664 5.144 4.480 -0.000 0.000 0.298 218 M C -1.068 175.246 176.300 0.025 0.000 1.065 218 M CA -0.803 54.556 55.300 0.098 0.000 0.916 218 M CB 1.937 34.598 32.600 0.101 0.000 1.630 218 M HN 0.022 nan 8.290 nan 0.000 0.442 219 Q N 2.186 121.996 119.800 0.016 0.000 2.316 219 Q HA 0.674 5.014 4.340 -0.000 0.000 0.264 219 Q C -1.995 173.877 176.000 -0.214 0.000 0.987 219 Q CA -0.589 55.134 55.803 -0.134 0.000 0.852 219 Q CB 2.287 30.925 28.738 -0.167 0.000 1.287 219 Q HN 0.755 nan 8.270 nan 0.000 0.448 220 V N 5.220 124.954 119.914 -0.300 0.000 2.394 220 V HA 0.363 4.483 4.120 -0.000 0.000 0.282 220 V C -1.069 174.786 176.094 -0.399 0.000 1.031 220 V CA -0.539 61.611 62.300 -0.249 0.000 0.881 220 V CB 0.825 32.559 31.823 -0.147 0.000 0.982 220 V HN 0.736 nan 8.190 nan 0.000 0.451 221 Y N 3.744 123.967 120.300 -0.129 0.000 2.478 221 Y HA 0.377 4.927 4.550 -0.000 0.000 0.329 221 Y C 0.778 176.624 175.900 -0.090 0.000 0.967 221 Y CA -0.984 57.081 58.100 -0.059 0.000 1.255 221 Y CB 1.017 39.503 38.460 0.044 0.000 1.103 221 Y HN 0.769 nan 8.280 nan 0.000 0.497 222 D N 0.167 120.552 120.400 -0.024 0.000 2.571 222 D HA 0.051 4.691 4.640 -0.000 0.000 0.239 222 D C -0.440 175.771 176.300 -0.148 0.000 1.267 222 D CA -0.057 53.870 54.000 -0.122 0.000 0.823 222 D CB 0.562 41.280 40.800 -0.137 0.000 1.056 222 D HN 0.317 nan 8.370 nan 0.000 0.494 223 E N 1.570 121.731 120.200 -0.066 0.000 2.055 223 E HA 0.269 4.619 4.350 -0.000 0.000 0.274 223 E C -0.006 176.546 176.600 -0.080 0.000 0.949 223 E CA -0.357 56.004 56.400 -0.065 0.000 0.775 223 E CB 1.147 30.849 29.700 0.004 0.000 1.097 223 E HN 0.150 nan 8.360 nan 0.000 0.404 224 N N 0.989 119.580 118.700 -0.182 0.000 6.260 224 N HA -0.268 4.472 4.740 -0.000 0.000 0.382 224 N C -1.067 174.270 175.510 -0.289 0.000 0.928 224 N CA 1.175 54.124 53.050 -0.168 0.000 1.195 224 N CB -0.542 37.954 38.487 0.014 0.000 0.819 224 N HN 0.473 nan 8.380 nan 0.000 0.400 225 W N 0.836 122.170 121.300 0.056 0.000 2.706 225 W HA 0.583 5.243 4.660 -0.000 0.000 0.346 225 W C -1.758 174.791 176.519 0.050 0.000 1.071 225 W CA -1.111 56.277 57.345 0.071 0.000 1.206 225 W CB 0.665 30.142 29.460 0.028 0.000 1.413 225 W HN 0.380 nan 8.180 nan 0.000 0.542 226 P HA 0.317 nan 4.420 nan 0.000 0.276 226 P C -1.205 176.432 177.300 0.561 0.000 1.252 226 P CA -0.326 63.073 63.100 0.499 0.000 0.802 226 P CB 1.339 33.185 31.700 0.244 0.000 1.035 227 K N 0.085 120.842 120.400 0.595 0.000 2.259 227 K HA 0.768 5.088 4.320 -0.000 0.000 0.252 227 K C 0.053 176.812 176.600 0.264 0.000 0.936 227 K CA -0.677 55.797 56.287 0.313 0.000 0.810 227 K CB 2.116 34.575 32.500 -0.068 0.000 1.143 227 K HN 0.805 nan 8.250 nan 0.000 0.427 228 G N 0.076 108.759 108.800 -0.196 0.000 2.427 228 G HA2 0.411 4.371 3.960 -0.000 0.000 0.306 228 G HA3 0.411 4.371 3.960 -0.000 0.000 0.306 228 G C -1.837 172.721 174.900 -0.570 0.000 1.280 228 G CA -0.593 44.121 45.100 -0.644 0.000 0.837 228 G HN 0.306 nan 8.290 nan 0.000 0.482 229 V N 1.180 120.705 119.914 -0.648 0.000 2.531 229 V HA 0.668 4.788 4.120 -0.000 0.000 0.301 229 V C -0.675 175.267 176.094 -0.253 0.000 1.034 229 V CA -0.840 61.284 62.300 -0.294 0.000 0.865 229 V CB 1.608 33.384 31.823 -0.078 0.000 0.995 229 V HN 0.754 nan 8.190 nan 0.000 0.424 230 L N 3.853 125.102 121.223 0.043 0.000 2.333 230 L HA 0.708 5.048 4.340 -0.000 0.000 0.280 230 L C -1.205 175.798 176.870 0.222 0.000 1.004 230 L CA -0.083 54.862 54.840 0.175 0.000 0.820 230 L CB 1.863 44.113 42.059 0.318 0.000 1.247 230 L HN 0.600 nan 8.230 nan 0.000 0.416 231 D N 4.993 125.517 120.400 0.207 0.000 2.280 231 D HA 0.338 4.978 4.640 -0.000 0.000 0.236 231 D C 0.070 176.360 176.300 -0.018 0.000 1.082 231 D CA -0.129 53.925 54.000 0.090 0.000 0.834 231 D CB 1.318 42.035 40.800 -0.140 0.000 1.100 231 D HN 0.368 nan 8.370 nan 0.000 0.486 232 R N 2.958 123.509 120.500 0.085 0.000 3.657 232 R HA 0.211 4.551 4.340 -0.000 0.000 0.220 232 R C 1.278 177.568 176.300 -0.017 0.000 1.548 232 R CA -0.179 55.947 56.100 0.043 0.000 1.465 232 R CB 0.195 30.560 30.300 0.108 0.000 1.330 232 R HN 0.388 nan 8.270 nan 0.000 0.707 233 L N 0.307 121.307 121.223 -0.371 0.000 1.990 233 L HA -0.289 4.051 4.340 -0.000 0.000 0.213 233 L C 2.467 179.201 176.870 -0.227 0.000 1.072 233 L CA 2.030 56.479 54.840 -0.651 0.000 0.755 233 L CB -0.638 40.711 42.059 -1.184 0.000 0.889 233 L HN 0.494 nan 8.230 nan 0.000 0.432 234 S N -0.808 114.806 115.700 -0.143 0.000 2.423 234 S HA -0.145 4.324 4.470 -0.000 0.000 0.231 234 S C 1.633 176.272 174.600 0.064 0.000 1.014 234 S CA 1.095 59.297 58.200 0.004 0.000 0.965 234 S CB -0.205 63.001 63.200 0.009 0.000 0.785 234 S HN 0.536 nan 8.310 nan 0.000 0.495 235 E N 1.126 121.364 120.200 0.063 0.000 2.201 235 E HA 0.184 4.534 4.350 -0.000 0.000 0.193 235 E C 0.570 177.228 176.600 0.097 0.000 0.957 235 E CA 0.320 56.766 56.400 0.077 0.000 0.858 235 E CB 0.100 29.839 29.700 0.064 0.000 0.816 235 E HN 0.458 nan 8.360 nan 0.000 0.475 236 N N -0.298 118.490 118.700 0.146 0.000 2.299 236 N HA 0.128 4.868 4.740 -0.000 0.000 0.246 236 N C -1.228 174.356 175.510 0.124 0.000 1.254 236 N CA 0.051 53.172 53.050 0.119 0.000 0.879 236 N CB 0.871 39.403 38.487 0.075 0.000 1.214 236 N HN 0.020 nan 8.380 nan 0.000 0.510 237 Y N 0.477 120.788 120.300 0.017 0.000 2.570 237 Y HA 0.453 5.003 4.550 -0.000 0.000 0.345 237 Y C 0.107 176.068 175.900 0.102 0.000 1.014 237 Y CA -0.903 57.226 58.100 0.048 0.000 1.063 237 Y CB 1.882 40.371 38.460 0.050 0.000 1.272 237 Y HN -0.133 nan 8.280 nan 0.000 0.477 238 M N 6.653 126.395 119.600 0.237 0.000 2.066 238 M HA 0.420 4.900 4.480 -0.000 0.000 0.340 238 M C -2.876 173.507 176.300 0.138 0.000 1.053 238 M CA -1.808 53.586 55.300 0.157 0.000 0.983 238 M CB 1.226 33.868 32.600 0.070 0.000 1.520 238 M HN 0.273 nan 8.290 nan 0.000 0.428 239 P HA 0.157 nan 4.420 nan 0.000 0.281 239 P C -1.040 176.030 177.300 -0.384 0.000 1.252 239 P CA -0.307 62.602 63.100 -0.317 0.000 0.778 239 P CB 1.127 32.652 31.700 -0.293 0.000 0.895 240 V N 5.292 124.902 119.914 -0.507 0.000 2.320 240 V HA 0.142 4.262 4.120 -0.000 0.000 0.265 240 V C 0.797 176.697 176.094 -0.323 0.000 1.048 240 V CA 0.051 62.204 62.300 -0.245 0.000 0.865 240 V CB -0.441 31.331 31.823 -0.085 0.000 1.043 240 V HN 0.427 nan 8.190 nan 0.000 0.474 241 F N 1.670 121.616 119.950 -0.007 0.000 2.776 241 F HA 0.309 4.836 4.527 -0.000 0.000 0.300 241 F C 1.160 177.070 175.800 0.182 0.000 1.116 241 F CA 0.062 58.037 58.000 -0.042 0.000 1.375 241 F CB 0.511 39.478 39.000 -0.055 0.000 1.109 241 F HN 0.421 nan 8.300 nan 0.000 0.585 242 E N -0.067 120.363 120.200 0.384 0.000 2.263 242 E HA 0.604 4.954 4.350 -0.000 0.000 0.268 242 E C -0.996 175.726 176.600 0.205 0.000 0.884 242 E CA -0.672 55.931 56.400 0.339 0.000 0.766 242 E CB 2.054 31.880 29.700 0.211 0.000 1.196 242 E HN -0.025 nan 8.360 nan 0.000 0.416 243 A N 2.237 125.107 122.820 0.083 0.000 2.292 243 A HA 0.618 4.938 4.320 -0.000 0.000 0.319 243 A C -0.011 177.557 177.584 -0.026 0.000 1.206 243 A CA -0.488 51.521 52.037 -0.047 0.000 0.835 243 A CB 0.633 19.494 19.000 -0.232 0.000 1.164 243 A HN 0.536 nan 8.150 nan 0.000 0.505 244 T N 0.235 114.776 114.554 -0.022 0.000 2.885 244 T HA 0.731 5.081 4.350 -0.000 0.000 0.285 244 T C -0.629 174.053 174.700 -0.030 0.000 1.019 244 T CA -0.701 61.391 62.100 -0.014 0.000 1.010 244 T CB 1.237 70.107 68.868 0.003 0.000 1.022 244 T HN 0.566 nan 8.240 nan 0.000 0.466 245 L N 2.097 123.306 121.223 -0.023 0.000 2.528 245 L HA 0.328 4.668 4.340 -0.000 0.000 0.267 245 L C -1.010 175.849 176.870 -0.017 0.000 0.961 245 L CA -0.613 54.211 54.840 -0.027 0.000 0.866 245 L CB 1.446 43.486 42.059 -0.032 0.000 1.248 245 L HN 0.892 nan 8.230 nan 0.000 0.404 246 D N 4.118 124.508 120.400 -0.017 0.000 2.737 246 D HA -0.175 4.465 4.640 -0.000 0.000 0.238 246 D C 1.005 177.301 176.300 -0.006 0.000 1.157 246 D CA 1.504 55.497 54.000 -0.011 0.000 0.694 246 D CB -0.456 40.337 40.800 -0.012 0.000 1.021 246 D HN 1.119 nan 8.370 nan 0.000 0.420 247 G N 0.428 109.226 108.800 -0.003 0.000 2.179 247 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.257 247 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.257 247 G C 0.048 174.951 174.900 0.005 0.000 1.010 247 G CA 0.912 46.013 45.100 0.002 0.000 0.736 247 G HN 0.563 nan 8.290 nan 0.000 0.513 248 E N -0.985 119.218 120.200 0.004 0.000 2.372 248 E HA 0.389 4.739 4.350 -0.000 0.000 0.279 248 E C -0.832 175.774 176.600 0.010 0.000 0.946 248 E CA -0.742 55.663 56.400 0.008 0.000 0.769 248 E CB 1.421 31.125 29.700 0.006 0.000 1.230 248 E HN 0.059 nan 8.360 nan 0.000 0.442 249 T N 1.398 115.963 114.554 0.019 0.000 2.729 249 T HA 0.124 4.474 4.350 -0.000 0.000 0.296 249 T C 1.092 175.805 174.700 0.022 0.000 0.928 249 T CA -0.234 61.882 62.100 0.027 0.000 1.045 249 T CB 0.505 69.401 68.868 0.047 0.000 0.902 249 T HN 0.384 nan 8.240 nan 0.000 0.500 250 V N 1.824 121.741 119.914 0.006 0.000 3.565 250 V HA 0.490 4.610 4.120 -0.000 0.000 0.260 250 V C 0.032 176.126 176.094 -0.001 0.000 1.231 250 V CA 0.140 62.441 62.300 0.001 0.000 1.100 250 V CB -0.118 31.698 31.823 -0.011 0.000 0.807 250 V HN 0.484 nan 8.190 nan 0.000 0.454 251 L N 0.624 121.840 121.223 -0.013 0.000 2.455 251 L HA 0.788 5.128 4.340 -0.000 0.000 0.264 251 L C -0.677 176.286 176.870 0.156 0.000 0.968 251 L CA -0.122 54.706 54.840 -0.020 0.000 0.827 251 L CB 2.025 43.877 42.059 -0.344 0.000 1.317 251 L HN 0.165 nan 8.230 nan 0.000 0.407 252 S N 2.407 118.290 115.700 0.306 0.000 2.733 252 S HA 0.858 5.328 4.470 -0.000 0.000 0.294 252 S C -0.873 173.947 174.600 0.366 0.000 1.149 252 S CA -0.305 58.105 58.200 0.349 0.000 1.034 252 S CB 1.197 64.509 63.200 0.187 0.000 1.015 252 S HN 0.802 nan 8.310 nan 0.000 0.486 253 A N 4.062 127.069 122.820 0.311 0.000 2.279 253 A HA 0.436 4.756 4.320 -0.000 0.000 0.306 253 A C 0.276 177.918 177.584 0.097 0.000 1.300 253 A CA -0.483 51.613 52.037 0.099 0.000 0.925 253 A CB -0.005 18.887 19.000 -0.180 0.000 1.152 253 A HN 0.886 nan 8.150 nan 0.000 0.544 254 E N 2.512 122.752 120.200 0.066 0.000 2.694 254 E HA 0.039 4.389 4.350 -0.000 0.000 0.250 254 E C -1.008 175.551 176.600 -0.068 0.000 0.963 254 E CA 0.265 56.671 56.400 0.009 0.000 0.949 254 E CB 0.298 30.008 29.700 0.016 0.000 0.911 254 E HN 0.545 nan 8.360 nan 0.000 0.500 255 L N 6.739 127.879 121.223 -0.139 0.000 2.490 255 L HA 0.193 4.533 4.340 -0.000 0.000 0.256 255 L C 0.215 176.985 176.870 -0.167 0.000 1.089 255 L CA -0.067 54.620 54.840 -0.256 0.000 0.916 255 L CB 0.830 42.541 42.059 -0.580 0.000 1.188 255 L HN 0.663 nan 8.230 nan 0.000 0.476 256 T N 1.150 115.640 114.554 -0.107 0.000 2.781 256 T HA 0.222 4.572 4.350 -0.000 0.000 0.252 256 T C 1.134 175.790 174.700 -0.072 0.000 1.039 256 T CA 1.143 63.199 62.100 -0.073 0.000 1.147 256 T CB 0.438 69.278 68.868 -0.048 0.000 0.865 256 T HN 0.767 nan 8.240 nan 0.000 0.423 257 G N 0.768 109.527 108.800 -0.069 0.000 3.288 257 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.219 257 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.219 257 G C 0.319 175.197 174.900 -0.037 0.000 0.944 257 G CA 0.011 45.078 45.100 -0.054 0.000 0.854 257 G HN 0.457 nan 8.290 nan 0.000 0.632 258 E N 0.949 121.127 120.200 -0.036 0.000 2.501 258 E HA 0.376 4.726 4.350 -0.000 0.000 0.201 258 E C 0.436 177.019 176.600 -0.029 0.000 1.016 258 E CA -0.113 56.271 56.400 -0.028 0.000 0.920 258 E CB 0.490 30.174 29.700 -0.027 0.000 1.023 258 E HN 0.509 nan 8.360 nan 0.000 0.474 259 E N 1.461 121.642 120.200 -0.031 0.000 2.374 259 E HA 0.179 4.529 4.350 -0.000 0.000 0.260 259 E C -0.326 176.270 176.600 -0.007 0.000 1.101 259 E CA -0.204 56.181 56.400 -0.024 0.000 0.907 259 E CB 0.683 30.372 29.700 -0.017 0.000 1.014 259 E HN -0.020 nan 8.360 nan 0.000 0.427 260 K N 2.041 122.436 120.400 -0.009 0.000 2.249 260 K HA 0.187 4.507 4.320 -0.000 0.000 0.280 260 K C -0.421 176.208 176.600 0.049 0.000 1.033 260 K CA -0.595 55.694 56.287 0.005 0.000 0.946 260 K CB 0.664 33.149 32.500 -0.025 0.000 1.005 260 K HN 0.124 nan 8.250 nan 0.000 0.469 261 K N 2.860 123.296 120.400 0.059 0.000 2.276 261 K HA 0.222 4.542 4.320 -0.000 0.000 0.285 261 K C -0.074 176.591 176.600 0.108 0.000 1.062 261 K CA -0.347 55.999 56.287 0.098 0.000 0.918 261 K CB 0.959 33.507 32.500 0.079 0.000 1.055 261 K HN 0.488 nan 8.250 nan 0.000 0.477 262 V N -2.094 117.925 119.914 0.176 0.000 3.102 262 V HA 0.800 4.920 4.120 -0.000 0.000 0.312 262 V C 0.075 176.314 176.094 0.241 0.000 1.135 262 V CA -0.939 61.489 62.300 0.213 0.000 1.022 262 V CB 1.456 33.445 31.823 0.276 0.000 1.056 262 V HN 0.825 nan 8.190 nan 0.000 0.436 263 A N 0.478 123.434 122.820 0.226 0.000 2.578 263 A HA 0.021 4.341 4.320 -0.000 0.000 0.298 263 A C 1.501 179.039 177.584 -0.078 0.000 1.472 263 A CA 1.397 53.479 52.037 0.075 0.000 0.734 263 A CB -1.711 17.338 19.000 0.082 0.000 1.091 263 A HN 2.585 nan 8.150 nan 0.000 0.426 264 A N -0.579 122.219 122.820 -0.036 0.000 1.968 264 A HA 0.245 4.565 4.320 -0.000 0.000 0.217 264 A C 1.024 178.528 177.584 -0.133 0.000 1.169 264 A CA 1.834 53.830 52.037 -0.068 0.000 0.638 264 A CB 0.041 19.035 19.000 -0.009 0.000 0.812 264 A HN 0.990 nan 8.150 nan 0.000 0.446 265 Q N -1.674 118.065 119.800 -0.102 0.000 2.340 265 Q HA 0.586 4.926 4.340 -0.000 0.000 0.276 265 Q C -1.799 174.166 176.000 -0.059 0.000 1.048 265 Q CA -0.509 55.241 55.803 -0.089 0.000 0.832 265 Q CB 2.640 31.380 28.738 0.003 0.000 1.373 265 Q HN 0.120 nan 8.270 nan 0.000 0.409 266 V N 1.376 121.266 119.914 -0.040 0.000 2.638 266 V HA 0.833 4.953 4.120 -0.000 0.000 0.306 266 V C -1.395 174.840 176.094 0.235 0.000 1.052 266 V CA -0.134 62.203 62.300 0.061 0.000 0.885 266 V CB 2.000 33.827 31.823 0.007 0.000 0.999 266 V HN 0.932 nan 8.190 nan 0.000 0.424 267 S N 4.827 120.647 115.700 0.200 0.000 2.588 267 S HA 0.838 5.308 4.470 -0.000 0.000 0.275 267 S C -1.267 173.162 174.600 -0.284 0.000 1.130 267 S CA -0.678 57.525 58.200 0.005 0.000 0.855 267 S CB 1.751 65.044 63.200 0.155 0.000 1.116 267 S HN 1.407 nan 8.310 nan 0.000 0.472 268 V N 1.682 121.050 119.914 -0.910 0.000 2.656 268 V HA 0.835 4.955 4.120 -0.000 0.000 0.307 268 V C -2.176 173.451 176.094 -0.778 0.000 1.051 268 V CA -0.522 61.299 62.300 -0.799 0.000 0.893 268 V CB 1.405 32.425 31.823 -1.337 0.000 0.999 268 V HN 0.962 nan 8.190 nan 0.000 0.426 269 W N 4.586 125.769 121.300 -0.195 0.000 2.844 269 W HA 0.686 5.346 4.660 -0.000 0.000 0.340 269 W C -0.384 176.224 176.519 0.149 0.000 1.093 269 W CA -0.822 56.536 57.345 0.021 0.000 1.212 269 W CB 1.468 30.937 29.460 0.015 0.000 1.422 269 W HN 0.449 nan 8.180 nan 0.000 0.515 270 L N 4.697 126.223 121.223 0.504 0.000 2.483 270 L HA 0.050 4.390 4.340 -0.000 0.000 0.276 270 L C -0.796 176.216 176.870 0.237 0.000 1.213 270 L CA -1.008 54.095 54.840 0.438 0.000 0.843 270 L CB 0.660 42.967 42.059 0.414 0.000 1.107 270 L HN 0.247 nan 8.230 nan 0.000 0.487 271 P HA 0.037 nan 4.420 nan 0.000 0.245 271 P C 0.385 178.036 177.300 0.585 0.000 1.212 271 P CA 0.631 63.766 63.100 0.060 0.000 0.774 271 P CB 0.479 31.998 31.700 -0.301 0.000 0.999 272 G N -0.962 108.119 108.800 0.468 0.000 2.481 272 G HA2 0.081 4.041 3.960 -0.000 0.000 0.234 272 G HA3 0.081 4.041 3.960 -0.000 0.000 0.234 272 G C -1.003 174.043 174.900 0.244 0.000 2.038 272 G CA -0.687 44.636 45.100 0.372 0.000 0.899 272 G HN 0.064 nan 8.290 nan 0.000 0.543 273 V N 1.255 121.216 119.914 0.079 0.000 2.487 273 V HA 0.729 4.849 4.120 -0.000 0.000 0.298 273 V C 0.293 176.402 176.094 0.025 0.000 1.028 273 V CA -1.026 61.233 62.300 -0.069 0.000 0.860 273 V CB 1.750 33.397 31.823 -0.294 0.000 0.991 273 V HN 0.562 nan 8.190 nan 0.000 0.427 274 L N 4.288 125.553 121.223 0.070 0.000 2.379 274 L HA 0.616 4.956 4.340 -0.000 0.000 0.269 274 L C -0.077 176.882 176.870 0.148 0.000 1.084 274 L CA 0.230 55.142 54.840 0.120 0.000 0.802 274 L CB 1.131 43.326 42.059 0.227 0.000 1.175 274 L HN 0.736 nan 8.230 nan 0.000 0.448 275 K N 3.483 123.961 120.400 0.131 0.000 2.637 275 K HA 0.489 4.809 4.320 -0.000 0.000 0.248 275 K C -2.061 174.522 176.600 -0.027 0.000 0.971 275 K CA -0.596 55.688 56.287 -0.006 0.000 0.858 275 K CB 1.462 34.030 32.500 0.113 0.000 1.170 275 K HN 0.432 nan 8.250 nan 0.000 0.443 276 V N 3.455 123.310 119.914 -0.099 0.000 2.347 276 V HA 0.263 4.383 4.120 -0.000 0.000 0.280 276 V C -0.525 175.545 176.094 -0.040 0.000 1.021 276 V CA -0.677 61.594 62.300 -0.048 0.000 0.847 276 V CB 1.233 33.006 31.823 -0.084 0.000 0.990 276 V HN 0.697 nan 8.190 nan 0.000 0.444 277 D N 7.222 127.611 120.400 -0.019 0.000 2.462 277 D HA 0.473 5.113 4.640 -0.000 0.000 0.245 277 D C -2.749 173.562 176.300 0.018 0.000 1.122 277 D CA -1.602 52.388 54.000 -0.016 0.000 0.864 277 D CB 3.065 43.851 40.800 -0.023 0.000 1.098 277 D HN 0.296 nan 8.370 nan 0.000 0.541 278 P HA 0.582 nan 4.420 nan 0.000 0.287 278 P C -1.137 176.257 177.300 0.156 0.000 1.290 278 P CA -0.701 62.421 63.100 0.037 0.000 0.889 278 P CB 1.901 33.599 31.700 -0.002 0.000 1.190 279 F N 0.978 120.871 119.950 -0.096 0.000 2.740 279 F HA 0.248 4.775 4.527 -0.000 0.000 0.312 279 F C -2.332 173.382 175.800 -0.144 0.000 1.121 279 F CA -1.387 56.562 58.000 -0.085 0.000 0.977 279 F CB 1.981 40.942 39.000 -0.066 0.000 1.265 279 F HN 0.130 nan 8.300 nan 0.000 0.443 280 P HA 0.071 nan 4.420 nan 0.000 0.255 280 P C -0.815 176.188 177.300 -0.495 0.000 1.301 280 P CA 0.883 63.219 63.100 -1.274 0.000 0.817 280 P CB 0.414 31.567 31.700 -0.911 0.000 1.259 281 D N -0.397 119.796 120.400 -0.344 0.000 2.661 281 D HA 0.199 4.839 4.640 -0.000 0.000 0.228 281 D C -2.317 173.907 176.300 -0.127 0.000 1.210 281 D CA -2.139 51.767 54.000 -0.158 0.000 0.826 281 D CB 2.765 43.459 40.800 -0.177 0.000 1.542 281 D HN -0.349 nan 8.370 nan 0.000 0.447 282 P HA -0.104 nan 4.420 nan 0.000 0.218 282 P C 1.136 178.406 177.300 -0.050 0.000 1.146 282 P CA 1.631 64.715 63.100 -0.027 0.000 0.813 282 P CB 0.081 31.782 31.700 0.001 0.000 0.778 283 T N -4.793 109.719 114.554 -0.070 0.000 3.107 283 T HA 0.217 4.567 4.350 -0.000 0.000 0.249 283 T C 0.436 175.026 174.700 -0.182 0.000 1.096 283 T CA 0.109 62.154 62.100 -0.091 0.000 1.012 283 T CB -0.561 68.287 68.868 -0.033 0.000 0.977 283 T HN -0.072 nan 8.240 nan 0.000 0.527 284 L N 0.207 121.297 121.223 -0.222 0.000 2.309 284 L HA 0.705 5.045 4.340 -0.000 0.000 0.261 284 L C -0.769 176.002 176.870 -0.165 0.000 1.021 284 L CA -1.586 53.100 54.840 -0.257 0.000 0.823 284 L CB 2.357 44.171 42.059 -0.408 0.000 1.366 284 L HN 0.028 nan 8.230 nan 0.000 0.423 285 I N 1.012 121.491 120.570 -0.152 0.000 2.545 285 I HA 0.347 4.517 4.170 -0.000 0.000 0.292 285 I C -0.785 175.210 176.117 -0.203 0.000 1.040 285 I CA -0.433 60.757 61.300 -0.183 0.000 1.068 285 I CB 2.323 40.177 38.000 -0.244 0.000 1.251 285 I HN 0.581 nan 8.210 nan 0.000 0.424 286 Q N 5.048 124.734 119.800 -0.190 0.000 2.322 286 Q HA 0.471 4.811 4.340 -0.000 0.000 0.265 286 Q C -1.958 173.928 176.000 -0.191 0.000 0.985 286 Q CA -0.585 55.180 55.803 -0.064 0.000 0.849 286 Q CB 1.541 30.370 28.738 0.152 0.000 1.274 286 Q HN 0.484 nan 8.270 nan 0.000 0.449 287 Y N 1.498 121.909 120.300 0.184 0.000 2.409 287 Y HA 0.428 4.978 4.550 -0.000 0.000 0.339 287 Y C -0.259 175.722 175.900 0.134 0.000 1.033 287 Y CA -0.703 57.490 58.100 0.155 0.000 1.094 287 Y CB 1.887 40.531 38.460 0.306 0.000 1.210 287 Y HN 0.508 nan 8.280 nan 0.000 0.456 288 E N 2.718 122.986 120.200 0.114 0.000 2.272 288 E HA 0.489 4.839 4.350 -0.000 0.000 0.269 288 E C -1.716 174.693 176.600 -0.317 0.000 0.877 288 E CA -0.793 55.628 56.400 0.034 0.000 0.755 288 E CB 2.271 32.041 29.700 0.116 0.000 1.192 288 E HN 0.356 nan 8.360 nan 0.000 0.422 289 F N 0.925 120.805 119.950 -0.117 0.000 2.522 289 F HA 0.410 4.937 4.527 -0.000 0.000 0.324 289 F C -0.498 175.231 175.800 -0.117 0.000 1.077 289 F CA -0.769 57.201 58.000 -0.050 0.000 0.944 289 F CB 1.129 40.101 39.000 -0.047 0.000 1.175 289 F HN 0.386 nan 8.300 nan 0.000 0.468 290 Y N 1.293 121.962 120.300 0.613 0.000 2.490 290 Y HA 0.433 4.982 4.550 -0.000 0.000 0.346 290 Y C -0.619 175.581 175.900 0.501 0.000 1.023 290 Y CA -1.065 57.405 58.100 0.616 0.000 1.142 290 Y CB 0.373 39.060 38.460 0.377 0.000 1.126 290 Y HN 0.164 nan 8.280 nan 0.000 0.647 291 V N 3.435 123.665 119.914 0.527 0.000 2.521 291 V HA 0.163 4.282 4.120 -0.000 0.000 0.286 291 V C -2.095 174.102 176.094 0.171 0.000 1.034 291 V CA -1.876 60.545 62.300 0.202 0.000 1.045 291 V CB 0.665 32.567 31.823 0.132 0.000 0.974 291 V HN 0.301 nan 8.190 nan 0.000 0.480 292 P HA 0.232 nan 4.420 nan 0.000 0.268 292 P C 0.482 177.784 177.300 0.004 0.000 1.205 292 P CA 0.247 63.334 63.100 -0.020 0.000 0.771 292 P CB 0.850 32.342 31.700 -0.347 0.000 0.858 293 I N 0.218 120.842 120.570 0.090 0.000 3.132 293 I HA 0.030 4.200 4.170 -0.000 0.000 0.255 293 I C 1.153 177.294 176.117 0.040 0.000 1.118 293 I CA 0.757 62.090 61.300 0.055 0.000 1.463 293 I CB 0.153 38.201 38.000 0.080 0.000 1.356 293 I HN 0.414 nan 8.210 nan 0.000 0.463 294 S N -0.562 115.185 115.700 0.078 0.000 2.851 294 S HA 0.344 4.814 4.470 -0.000 0.000 0.313 294 S C 0.240 174.904 174.600 0.107 0.000 1.163 294 S CA -0.574 57.667 58.200 0.070 0.000 0.850 294 S CB 1.482 64.722 63.200 0.066 0.000 1.245 294 S HN -0.001 nan 8.310 nan 0.000 0.558 295 E N 1.143 121.402 120.200 0.098 0.000 2.268 295 E HA 0.038 4.388 4.350 -0.000 0.000 0.195 295 E C 1.463 178.155 176.600 0.153 0.000 0.995 295 E CA 1.662 58.136 56.400 0.123 0.000 0.836 295 E CB -0.327 29.428 29.700 0.092 0.000 0.763 295 E HN 0.819 nan 8.360 nan 0.000 0.491 296 T N -3.038 111.600 114.554 0.140 0.000 3.132 296 T HA 0.304 4.654 4.350 -0.000 0.000 0.274 296 T C 0.215 175.020 174.700 0.175 0.000 1.011 296 T CA -0.522 61.667 62.100 0.148 0.000 0.899 296 T CB 0.159 69.095 68.868 0.113 0.000 1.089 296 T HN -0.106 nan 8.240 nan 0.000 0.543 297 Q N 1.233 121.156 119.800 0.204 0.000 2.418 297 Q HA 0.489 4.829 4.340 -0.000 0.000 0.282 297 Q C -1.251 174.936 176.000 0.313 0.000 1.044 297 Q CA -1.118 54.814 55.803 0.215 0.000 0.813 297 Q CB 2.093 30.903 28.738 0.120 0.000 1.428 297 Q HN 0.626 nan 8.270 nan 0.000 0.402 298 H N -0.790 118.396 119.070 0.193 0.000 2.980 298 H HA 0.538 5.094 4.556 -0.000 0.000 0.367 298 H C -1.397 174.076 175.328 0.241 0.000 1.206 298 H CA -1.004 55.190 56.048 0.243 0.000 1.126 298 H CB 1.950 31.931 29.762 0.365 0.000 1.838 298 H HN 0.586 nan 8.280 nan 0.000 0.552 299 E N 1.476 121.858 120.200 0.304 0.000 2.115 299 E HA 0.167 4.517 4.350 -0.000 0.000 0.282 299 E C -1.642 175.211 176.600 0.422 0.000 0.987 299 E CA -0.658 55.871 56.400 0.214 0.000 0.797 299 E CB 0.234 30.069 29.700 0.226 0.000 1.086 299 E HN 0.427 nan 8.360 nan 0.000 0.397 300 Y N 6.269 126.626 120.300 0.095 0.000 2.425 300 Y HA 0.365 4.915 4.550 -0.000 0.000 0.347 300 Y C -1.501 174.461 175.900 0.103 0.000 0.976 300 Y CA -1.327 56.881 58.100 0.180 0.000 1.190 300 Y CB -0.084 38.450 38.460 0.123 0.000 1.136 300 Y HN 0.391 nan 8.280 nan 0.000 0.517 301 F N 4.285 124.257 119.950 0.038 0.000 2.421 301 F HA 0.493 5.020 4.527 -0.000 0.000 0.337 301 F C -0.135 175.612 175.800 -0.089 0.000 1.105 301 F CA -0.527 57.480 58.000 0.011 0.000 1.049 301 F CB 1.552 40.638 39.000 0.142 0.000 1.139 301 F HN 0.354 nan 8.300 nan 0.000 0.479 302 Q N 2.622 122.481 119.800 0.099 0.000 2.309 302 Q HA 0.624 4.964 4.340 -0.000 0.000 0.270 302 Q C -1.494 174.693 176.000 0.312 0.000 1.023 302 Q CA -0.696 55.159 55.803 0.087 0.000 0.758 302 Q CB 2.714 31.367 28.738 -0.142 0.000 1.247 302 Q HN 0.406 nan 8.270 nan 0.000 0.455 303 V N 4.026 124.192 119.914 0.421 0.000 2.487 303 V HA 0.476 4.596 4.120 -0.000 0.000 0.298 303 V C -0.459 175.854 176.094 0.365 0.000 1.028 303 V CA -0.740 61.820 62.300 0.434 0.000 0.860 303 V CB 1.571 33.759 31.823 0.608 0.000 0.991 303 V HN 0.656 nan 8.190 nan 0.000 0.427 304 L N 4.289 125.670 121.223 0.264 0.000 2.309 304 L HA 0.623 4.963 4.340 -0.000 0.000 0.282 304 L C -0.139 176.890 176.870 0.266 0.000 1.036 304 L CA -0.300 54.689 54.840 0.248 0.000 0.806 304 L CB 1.680 43.910 42.059 0.285 0.000 1.220 304 L HN 0.687 nan 8.230 nan 0.000 0.429 305 Q N 3.358 123.231 119.800 0.122 0.000 2.322 305 Q HA 0.534 4.874 4.340 -0.000 0.000 0.265 305 Q C -1.084 174.764 176.000 -0.253 0.000 0.985 305 Q CA -0.850 54.946 55.803 -0.011 0.000 0.849 305 Q CB 2.174 30.965 28.738 0.089 0.000 1.274 305 Q HN 0.494 nan 8.270 nan 0.000 0.449 306 R N 2.420 122.624 120.500 -0.493 0.000 2.750 306 R HA 0.402 4.742 4.340 -0.000 0.000 0.281 306 R C -1.259 174.835 176.300 -0.344 0.000 0.972 306 R CA -0.589 55.131 56.100 -0.632 0.000 0.912 306 R CB 1.221 30.662 30.300 -1.432 0.000 1.187 306 R HN 0.437 nan 8.270 nan 0.000 0.464 307 K N 2.383 122.644 120.400 -0.232 0.000 2.326 307 K HA 0.353 4.673 4.320 -0.000 0.000 0.275 307 K C -0.419 176.114 176.600 -0.112 0.000 1.018 307 K CA -0.388 55.822 56.287 -0.129 0.000 0.962 307 K CB 1.082 33.529 32.500 -0.089 0.000 0.953 307 K HN 0.509 nan 8.250 nan 0.000 0.475 308 V N -0.871 119.008 119.914 -0.059 0.000 2.851 308 V HA 0.244 4.364 4.120 -0.000 0.000 0.307 308 V C 0.373 176.457 176.094 -0.016 0.000 1.129 308 V CA -0.837 61.444 62.300 -0.031 0.000 0.932 308 V CB 1.934 33.753 31.823 -0.006 0.000 1.024 308 V HN 0.748 nan 8.190 nan 0.000 0.426 309 E N 3.185 123.378 120.200 -0.012 0.000 2.251 309 E HA 0.514 4.864 4.350 -0.000 0.000 0.194 309 E C 0.752 177.349 176.600 -0.005 0.000 0.964 309 E CA 1.423 57.818 56.400 -0.008 0.000 0.868 309 E CB 0.694 30.390 29.700 -0.006 0.000 0.828 309 E HN 1.234 nan 8.360 nan 0.000 0.481 310 G N -1.043 107.753 108.800 -0.006 0.000 2.682 310 G HA2 0.284 4.244 3.960 -0.000 0.000 0.303 310 G HA3 0.284 4.244 3.960 -0.000 0.000 0.303 310 G C -2.220 172.671 174.900 -0.016 0.000 1.341 310 G CA -0.708 44.387 45.100 -0.008 0.000 0.784 310 G HN -0.215 nan 8.290 nan 0.000 0.497 311 P HA -0.083 nan 4.420 nan 0.000 0.217 311 P C 1.424 178.707 177.300 -0.028 0.000 1.148 311 P CA 1.362 64.445 63.100 -0.029 0.000 0.828 311 P CB 0.428 32.117 31.700 -0.018 0.000 0.783 312 E N -0.180 120.012 120.200 -0.013 0.000 2.051 312 E HA -0.176 4.174 4.350 -0.000 0.000 0.192 312 E C 1.679 178.284 176.600 0.007 0.000 0.991 312 E CA 1.421 57.819 56.400 -0.003 0.000 0.799 312 E CB -0.879 28.822 29.700 0.002 0.000 0.748 312 E HN 0.210 nan 8.360 nan 0.000 0.449 313 D N -0.439 119.965 120.400 0.008 0.000 2.144 313 D HA -0.128 4.512 4.640 -0.000 0.000 0.199 313 D C 2.031 178.360 176.300 0.047 0.000 0.984 313 D CA 1.115 55.132 54.000 0.029 0.000 0.834 313 D CB -0.132 40.674 40.800 0.011 0.000 0.955 313 D HN 0.116 nan 8.370 nan 0.000 0.465 314 V N 1.502 121.400 119.914 -0.027 0.000 2.332 314 V HA -0.241 3.879 4.120 -0.000 0.000 0.248 314 V C 2.538 178.599 176.094 -0.054 0.000 1.055 314 V CA 1.558 63.777 62.300 -0.135 0.000 1.038 314 V CB -0.463 31.166 31.823 -0.323 0.000 0.651 314 V HN 0.172 nan 8.190 nan 0.000 0.450 315 K N -0.242 120.139 120.400 -0.032 0.000 2.026 315 K HA -0.191 4.129 4.320 -0.000 0.000 0.208 315 K C 2.211 178.837 176.600 0.043 0.000 1.048 315 K CA 2.030 58.311 56.287 -0.010 0.000 0.929 315 K CB -0.325 32.168 32.500 -0.012 0.000 0.713 315 K HN 0.508 nan 8.250 nan 0.000 0.439 316 T N 1.190 115.791 114.554 0.078 0.000 2.684 316 T HA -0.166 4.184 4.350 -0.000 0.000 0.267 316 T C 1.429 176.265 174.700 0.226 0.000 1.036 316 T CA 1.422 63.593 62.100 0.119 0.000 1.148 316 T CB -0.412 68.526 68.868 0.116 0.000 0.863 316 T HN 0.255 nan 8.240 nan 0.000 0.436 317 F N 2.263 122.270 119.950 0.096 0.000 2.126 317 F HA -0.073 4.454 4.527 -0.000 0.000 0.299 317 F C 2.150 178.082 175.800 0.219 0.000 1.096 317 F CA 1.176 59.293 58.000 0.195 0.000 1.255 317 F CB -0.585 38.507 39.000 0.152 0.000 0.997 317 F HN 0.253 nan 8.300 nan 0.000 0.479 318 E N -0.451 119.774 120.200 0.042 0.000 2.110 318 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 318 E C 2.352 178.969 176.600 0.029 0.000 0.988 318 E CA 1.497 57.858 56.400 -0.065 0.000 0.804 318 E CB -0.344 29.322 29.700 -0.058 0.000 0.745 318 E HN 0.299 nan 8.360 nan 0.000 0.458 319 V N 1.618 121.558 119.914 0.043 0.000 2.307 319 V HA -0.240 3.880 4.120 -0.000 0.000 0.245 319 V C 2.043 178.135 176.094 -0.003 0.000 1.045 319 V CA 1.858 64.169 62.300 0.018 0.000 1.024 319 V CB -0.442 31.388 31.823 0.012 0.000 0.651 319 V HN 0.228 nan 8.190 nan 0.000 0.449 320 E N -0.584 119.632 120.200 0.028 0.000 2.110 320 E HA -0.235 4.115 4.350 -0.000 0.000 0.193 320 E C 2.049 178.532 176.600 -0.194 0.000 0.988 320 E CA 1.464 57.774 56.400 -0.151 0.000 0.804 320 E CB -0.242 29.410 29.700 -0.081 0.000 0.745 320 E HN 0.596 nan 8.360 nan 0.000 0.458 321 F N 2.284 122.202 119.950 -0.053 0.000 2.069 321 F HA -0.235 4.291 4.527 -0.000 0.000 0.298 321 F C 2.392 178.145 175.800 -0.079 0.000 1.113 321 F CA 2.001 59.999 58.000 -0.004 0.000 1.214 321 F CB -0.062 38.792 39.000 -0.242 0.000 0.978 321 F HN -0.100 nan 8.300 nan 0.000 0.474 322 E N 0.355 120.550 120.200 -0.009 0.000 2.150 322 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 322 E C 1.813 178.327 176.600 -0.142 0.000 0.985 322 E CA 1.866 58.210 56.400 -0.094 0.000 0.814 322 E CB -0.330 29.363 29.700 -0.011 0.000 0.752 322 E HN 0.640 nan 8.360 nan 0.000 0.466 323 E N -0.877 119.235 120.200 -0.146 0.000 2.340 323 E HA 0.095 4.445 4.350 -0.000 0.000 0.194 323 E C 1.899 178.383 176.600 -0.192 0.000 0.996 323 E CA 0.230 56.541 56.400 -0.149 0.000 0.869 323 E CB 0.484 30.105 29.700 -0.130 0.000 0.835 323 E HN 0.085 nan 8.360 nan 0.000 0.493 324 R N -0.505 119.822 120.500 -0.288 0.000 4.142 324 R HA 0.054 4.394 4.340 -0.000 0.000 0.135 324 R C 1.283 177.428 176.300 -0.258 0.000 0.823 324 R CA 0.037 55.953 56.100 -0.307 0.000 0.963 324 R CB -0.461 29.538 30.300 -0.502 0.000 1.474 324 R HN 0.050 nan 8.270 nan 0.000 0.460 325 W N 1.974 123.169 121.300 -0.176 0.000 2.290 325 W HA -0.281 4.379 4.660 -0.000 0.000 0.328 325 W C 2.448 178.660 176.519 -0.511 0.000 1.272 325 W CA 1.521 58.686 57.345 -0.301 0.000 1.262 325 W CB -0.356 29.066 29.460 -0.064 0.000 1.151 325 W HN 0.260 nan 8.180 nan 0.000 0.473 326 R N 0.600 120.778 120.500 -0.537 0.000 2.082 326 R HA -0.185 4.155 4.340 -0.000 0.000 0.234 326 R C 1.778 177.904 176.300 -0.290 0.000 1.136 326 R CA 2.378 58.079 56.100 -0.665 0.000 0.935 326 R CB -0.560 29.103 30.300 -1.061 0.000 0.842 326 R HN 0.071 nan 8.270 nan 0.000 0.430 327 D N 0.005 120.299 120.400 -0.177 0.000 2.162 327 D HA -0.089 4.551 4.640 -0.000 0.000 0.203 327 D C 1.329 177.619 176.300 -0.018 0.000 0.967 327 D CA 0.932 54.928 54.000 -0.006 0.000 0.840 327 D CB -0.186 40.595 40.800 -0.031 0.000 0.972 327 D HN 0.290 nan 8.370 nan 0.000 0.482 328 D N 0.254 120.592 120.400 -0.104 0.000 2.194 328 D HA 0.020 4.660 4.640 -0.000 0.000 0.204 328 D C 1.721 177.828 176.300 -0.322 0.000 0.964 328 D CA 0.783 54.746 54.000 -0.062 0.000 0.846 328 D CB 0.268 41.126 40.800 0.098 0.000 0.962 328 D HN 0.144 nan 8.370 nan 0.000 0.490 329 A N 0.169 122.609 122.820 -0.633 0.000 2.010 329 A HA 0.165 4.485 4.320 -0.000 0.000 0.210 329 A C 2.141 179.574 177.584 -0.252 0.000 1.479 329 A CA -0.133 51.415 52.037 -0.814 0.000 0.748 329 A CB -0.634 17.628 19.000 -1.229 0.000 1.125 329 A HN 0.061 nan 8.150 nan 0.000 0.522 330 L N -0.449 120.635 121.223 -0.233 0.000 2.129 330 L HA -0.212 4.127 4.340 -0.000 0.000 0.212 330 L C 2.473 179.221 176.870 -0.204 0.000 1.087 330 L CA 1.320 56.050 54.840 -0.183 0.000 0.757 330 L CB -0.611 41.274 42.059 -0.290 0.000 0.896 330 L HN 0.506 nan 8.230 nan 0.000 0.434 331 H N -1.263 117.799 119.070 -0.014 0.000 2.367 331 H HA 0.127 4.683 4.556 -0.000 0.000 0.304 331 H C 2.202 177.570 175.328 0.067 0.000 1.023 331 H CA 1.000 57.070 56.048 0.036 0.000 1.342 331 H CB -0.474 29.287 29.762 -0.001 0.000 1.486 331 H HN 0.177 nan 8.280 nan 0.000 0.596 332 G N 0.144 109.049 108.800 0.174 0.000 2.475 332 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.220 332 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.220 332 G C 1.490 176.519 174.900 0.214 0.000 1.125 332 G CA 1.008 46.211 45.100 0.171 0.000 0.755 332 G HN 0.324 nan 8.290 nan 0.000 0.565 333 F N 0.605 120.572 119.950 0.027 0.000 2.399 333 F HA 0.268 4.795 4.527 -0.000 0.000 0.282 333 F C 2.206 178.050 175.800 0.074 0.000 1.027 333 F CA 0.663 58.688 58.000 0.042 0.000 1.333 333 F CB 0.027 39.004 39.000 -0.039 0.000 1.132 333 F HN 0.100 nan 8.300 nan 0.000 0.590 334 N N 0.196 119.025 118.700 0.215 0.000 2.463 334 N HA -0.109 4.631 4.740 -0.000 0.000 0.181 334 N C 0.922 176.561 175.510 0.216 0.000 1.078 334 N CA 0.630 53.815 53.050 0.225 0.000 0.902 334 N CB -0.054 38.664 38.487 0.385 0.000 0.970 334 N HN 0.166 nan 8.380 nan 0.000 0.451 335 D N 1.327 121.855 120.400 0.213 0.000 2.133 335 D HA -0.174 4.466 4.640 -0.000 0.000 0.195 335 D C 1.211 177.614 176.300 0.172 0.000 0.997 335 D CA 1.121 55.268 54.000 0.245 0.000 0.840 335 D CB -0.229 40.732 40.800 0.269 0.000 0.947 335 D HN 0.233 nan 8.370 nan 0.000 0.452 336 D N 0.580 121.043 120.400 0.104 0.000 2.221 336 D HA -0.124 4.516 4.640 -0.000 0.000 0.204 336 D C 1.444 177.357 176.300 -0.646 0.000 0.982 336 D CA 0.661 54.540 54.000 -0.203 0.000 0.857 336 D CB -0.189 40.562 40.800 -0.083 0.000 0.934 336 D HN 0.259 nan 8.370 nan 0.000 0.475 337 D N 0.156 120.436 120.400 -0.201 0.000 2.178 337 D HA -0.097 4.543 4.640 -0.000 0.000 0.201 337 D C 2.257 178.414 176.300 -0.238 0.000 0.980 337 D CA 0.284 54.165 54.000 -0.198 0.000 0.842 337 D CB 0.115 40.925 40.800 0.018 0.000 0.948 337 D HN 0.095 nan 8.370 nan 0.000 0.472 338 V N 1.867 121.709 119.914 -0.120 0.000 2.233 338 V HA -0.215 3.905 4.120 -0.000 0.000 0.247 338 V C 2.475 178.592 176.094 0.039 0.000 1.050 338 V CA 1.858 64.157 62.300 -0.002 0.000 1.010 338 V CB -0.879 31.026 31.823 0.137 0.000 0.637 338 V HN 0.446 nan 8.190 nan 0.000 0.444 339 W N 0.778 122.112 121.300 0.057 0.000 2.465 339 W HA 0.065 4.725 4.660 -0.000 0.000 0.268 339 W C 2.161 178.701 176.519 0.034 0.000 1.242 339 W CA 0.877 58.248 57.345 0.043 0.000 1.248 339 W CB -0.993 28.488 29.460 0.036 0.000 1.118 339 W HN 0.274 nan 8.180 nan 0.000 0.587 340 A N 2.115 124.669 122.820 -0.444 0.000 1.898 340 A HA -0.152 4.167 4.320 -0.000 0.000 0.216 340 A C 2.242 179.759 177.584 -0.111 0.000 1.181 340 A CA 1.738 53.535 52.037 -0.401 0.000 0.620 340 A CB -0.743 17.893 19.000 -0.606 0.000 0.819 340 A HN 0.309 nan 8.150 nan 0.000 0.442 341 R N -0.178 120.266 120.500 -0.092 0.000 2.066 341 R HA -0.090 4.250 4.340 -0.000 0.000 0.232 341 R C 2.040 178.371 176.300 0.053 0.000 1.131 341 R CA 1.519 57.600 56.100 -0.030 0.000 0.955 341 R CB -0.365 29.942 30.300 0.013 0.000 0.851 341 R HN 0.661 nan 8.270 nan 0.000 0.432 342 E N 0.741 121.004 120.200 0.105 0.000 2.204 342 E HA -0.139 4.211 4.350 -0.000 0.000 0.195 342 E C 1.831 178.517 176.600 0.144 0.000 0.990 342 E CA 0.940 57.422 56.400 0.136 0.000 0.821 342 E CB -0.067 29.727 29.700 0.157 0.000 0.750 342 E HN 0.359 nan 8.360 nan 0.000 0.477 343 A N 1.010 123.929 122.820 0.166 0.000 2.121 343 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 343 A C 1.849 179.514 177.584 0.135 0.000 1.154 343 A CA 0.981 53.119 52.037 0.169 0.000 0.679 343 A CB -0.097 19.045 19.000 0.236 0.000 0.795 343 A HN 0.179 nan 8.150 nan 0.000 0.458 344 Q N -1.678 118.199 119.800 0.129 0.000 2.352 344 Q HA -0.019 4.320 4.340 -0.000 0.000 0.212 344 Q C 1.896 178.035 176.000 0.231 0.000 0.888 344 Q CA 0.465 56.386 55.803 0.197 0.000 0.934 344 Q CB 0.080 28.899 28.738 0.136 0.000 1.093 344 Q HN 0.602 nan 8.270 nan 0.000 0.523 345 Q N 2.189 122.079 119.800 0.150 0.000 2.077 345 Q HA -0.266 4.074 4.340 -0.000 0.000 0.206 345 Q C 1.731 177.813 176.000 0.138 0.000 0.989 345 Q CA 2.087 57.970 55.803 0.134 0.000 0.853 345 Q CB -0.058 28.751 28.738 0.119 0.000 0.907 345 Q HN 0.469 nan 8.270 nan 0.000 0.418 346 E N -1.427 118.855 120.200 0.137 0.000 2.051 346 E HA -0.196 4.154 4.350 -0.000 0.000 0.192 346 E C 1.797 178.471 176.600 0.123 0.000 0.991 346 E CA 1.118 57.587 56.400 0.116 0.000 0.799 346 E CB -0.394 29.369 29.700 0.106 0.000 0.748 346 E HN 0.430 nan 8.360 nan 0.000 0.449 347 F N 0.422 120.358 119.950 -0.023 0.000 2.046 347 F HA -0.245 4.282 4.527 -0.000 0.000 0.297 347 F C 1.817 177.467 175.800 -0.251 0.000 1.123 347 F CA 1.807 59.722 58.000 -0.141 0.000 1.199 347 F CB -0.691 38.197 39.000 -0.188 0.000 0.972 347 F HN 0.100 nan 8.300 nan 0.000 0.474 348 Y N -0.285 119.833 120.300 -0.302 0.000 2.243 348 Y HA 0.087 4.637 4.550 -0.000 0.000 0.293 348 Y C 2.705 178.451 175.900 -0.256 0.000 1.124 348 Y CA 1.244 58.988 58.100 -0.593 0.000 1.159 348 Y CB -1.118 36.874 38.460 -0.780 0.000 1.008 348 Y HN 0.110 nan 8.280 nan 0.000 0.527 349 G N -0.766 108.076 108.800 0.070 0.000 2.511 349 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.217 349 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.217 349 G C 1.186 176.127 174.900 0.068 0.000 1.133 349 G CA 0.903 46.069 45.100 0.111 0.000 0.792 349 G HN 0.437 nan 8.290 nan 0.000 0.539 350 E N -1.202 119.008 120.200 0.016 0.000 2.505 350 E HA 0.143 4.493 4.350 -0.000 0.000 0.212 350 E C 1.628 178.210 176.600 -0.030 0.000 0.825 350 E CA -0.317 56.090 56.400 0.011 0.000 1.333 350 E CB 0.555 30.273 29.700 0.030 0.000 1.319 350 E HN 0.138 nan 8.360 nan 0.000 0.658 351 R N 1.653 122.097 120.500 -0.093 0.000 2.480 351 R HA 0.060 4.400 4.340 -0.000 0.000 0.277 351 R C -0.579 175.563 176.300 -0.264 0.000 1.008 351 R CA 0.135 56.159 56.100 -0.126 0.000 1.090 351 R CB 0.046 30.320 30.300 -0.042 0.000 1.234 351 R HN 0.033 nan 8.270 nan 0.000 0.549 352 D N -0.108 120.145 120.400 -0.246 0.000 2.699 352 D HA -0.143 4.497 4.640 -0.000 0.000 0.239 352 D C 1.070 177.054 176.300 -0.527 0.000 1.136 352 D CA 0.894 54.760 54.000 -0.224 0.000 0.668 352 D CB -0.994 39.745 40.800 -0.101 0.000 1.060 352 D HN 0.451 nan 8.370 nan 0.000 0.429 353 G N -0.840 107.292 108.800 -1.113 0.000 2.470 353 G HA2 -0.210 3.749 3.960 -0.000 0.000 0.220 353 G HA3 -0.210 3.749 3.960 -0.000 0.000 0.220 353 G C 1.312 175.573 174.900 -1.065 0.000 1.121 353 G CA 0.780 44.639 45.100 -2.069 0.000 0.766 353 G HN 0.555 nan 8.290 nan 0.000 0.553 354 W N 1.399 122.512 121.300 -0.312 0.000 2.364 354 W HA -0.038 4.622 4.660 -0.000 0.000 0.281 354 W C 2.775 179.355 176.519 0.102 0.000 1.219 354 W CA 1.256 58.663 57.345 0.103 0.000 1.220 354 W CB 0.073 29.651 29.460 0.197 0.000 1.127 354 W HN 0.323 nan 8.180 nan 0.000 0.556 355 S N -1.628 114.164 115.700 0.154 0.000 2.540 355 S HA 0.205 4.675 4.470 -0.000 0.000 0.222 355 S C 1.221 175.851 174.600 0.050 0.000 1.008 355 S CA -0.299 57.973 58.200 0.120 0.000 0.939 355 S CB 0.075 63.322 63.200 0.079 0.000 0.865 355 S HN 0.191 nan 8.310 nan 0.000 0.499 356 K N 1.509 121.883 120.400 -0.043 0.000 2.348 356 K HA 0.136 4.455 4.320 -0.000 0.000 0.194 356 K C 0.418 177.124 176.600 0.176 0.000 1.052 356 K CA 0.131 56.438 56.287 0.033 0.000 1.004 356 K CB 0.231 32.723 32.500 -0.013 0.000 0.873 356 K HN 0.705 nan 8.250 nan 0.000 0.523 357 E N 1.771 122.076 120.200 0.174 0.000 2.436 357 E HA -0.078 4.272 4.350 -0.000 0.000 0.262 357 E C -0.640 176.071 176.600 0.186 0.000 1.063 357 E CA 0.335 56.888 56.400 0.256 0.000 0.944 357 E CB 0.306 30.174 29.700 0.281 0.000 0.950 357 E HN 0.007 nan 8.360 nan 0.000 0.444 358 Q N 2.101 121.987 119.800 0.144 0.000 2.394 358 Q HA 0.314 4.654 4.340 -0.000 0.000 0.261 358 Q C -0.704 175.378 176.000 0.137 0.000 1.023 358 Q CA -0.325 55.548 55.803 0.117 0.000 0.720 358 Q CB 1.260 30.032 28.738 0.056 0.000 1.241 358 Q HN 0.480 nan 8.270 nan 0.000 0.483 359 L N 2.292 123.634 121.223 0.198 0.000 2.468 359 L HA 0.551 4.890 4.340 -0.000 0.000 0.254 359 L C -0.075 176.997 176.870 0.336 0.000 1.171 359 L CA -0.696 54.308 54.840 0.272 0.000 0.809 359 L CB 0.147 42.350 42.059 0.240 0.000 1.155 359 L HN 0.446 nan 8.230 nan 0.000 0.473 360 F N -1.701 118.271 119.950 0.036 0.000 2.650 360 F HA 0.590 5.117 4.527 -0.000 0.000 0.320 360 F C -2.405 173.403 175.800 0.013 0.000 1.091 360 F CA -2.916 55.095 58.000 0.018 0.000 0.962 360 F CB -0.161 38.840 39.000 0.001 0.000 1.363 360 F HN 0.128 nan 8.300 nan 0.000 0.482 361 P HA -0.204 nan 4.420 nan 0.000 0.225 361 P C -1.538 175.529 177.300 -0.390 0.000 1.154 361 P CA 3.249 66.201 63.100 -0.245 0.000 0.933 361 P CB -1.169 30.423 31.700 -0.180 0.000 0.790 362 P HA -0.136 nan 4.420 nan 0.000 0.219 362 P C 0.838 177.932 177.300 -0.343 0.000 1.146 362 P CA 1.419 64.213 63.100 -0.511 0.000 0.808 362 P CB -0.486 30.805 31.700 -0.681 0.000 0.779 363 D N -1.647 118.548 120.400 -0.341 0.000 2.371 363 D HA -0.070 4.570 4.640 -0.000 0.000 0.221 363 D C 1.605 177.859 176.300 -0.077 0.000 0.986 363 D CA 0.517 54.445 54.000 -0.119 0.000 0.899 363 D CB -0.372 40.447 40.800 0.032 0.000 0.902 363 D HN 0.109 nan 8.370 nan 0.000 0.530 364 M N 1.070 120.613 119.600 -0.095 0.000 2.202 364 M HA -0.171 4.309 4.480 -0.000 0.000 0.262 364 M C 2.248 178.538 176.300 -0.016 0.000 1.063 364 M CA 1.213 56.487 55.300 -0.043 0.000 1.097 364 M CB -0.594 31.971 32.600 -0.057 0.000 1.382 364 M HN 0.290 nan 8.290 nan 0.000 0.413 365 C N -1.414 117.859 119.300 -0.046 0.000 2.425 365 C HA -0.042 4.418 4.460 -0.000 0.000 0.277 365 C C 2.480 177.593 174.990 0.206 0.000 1.280 365 C CA 0.437 59.476 59.018 0.035 0.000 1.744 365 C CB -1.727 25.873 27.740 -0.233 0.000 1.989 365 C HN 0.597 nan 8.230 nan 0.000 0.491 366 I N 1.331 121.944 120.570 0.072 0.000 2.315 366 I HA -0.125 4.045 4.170 -0.000 0.000 0.248 366 I C 2.783 178.921 176.117 0.034 0.000 1.117 366 I CA 1.223 62.628 61.300 0.175 0.000 1.404 366 I CB -0.289 37.746 38.000 0.059 0.000 1.071 366 I HN 0.212 nan 8.210 nan 0.000 0.419 367 V N 1.005 120.881 119.914 -0.063 0.000 2.295 367 V HA -0.305 3.814 4.120 -0.000 0.000 0.246 367 V C 2.385 178.396 176.094 -0.138 0.000 1.049 367 V CA 1.878 64.062 62.300 -0.192 0.000 1.024 367 V CB -0.685 31.125 31.823 -0.020 0.000 0.648 367 V HN 0.392 nan 8.190 nan 0.000 0.447 368 K N -0.615 119.782 120.400 -0.005 0.000 2.147 368 K HA -0.217 4.103 4.320 -0.000 0.000 0.205 368 K C 2.060 178.647 176.600 -0.022 0.000 1.049 368 K CA 1.859 58.151 56.287 0.008 0.000 0.936 368 K CB -0.289 32.242 32.500 0.053 0.000 0.722 368 K HN 0.774 nan 8.250 nan 0.000 0.446 369 W N 2.493 123.711 121.300 -0.136 0.000 2.409 369 W HA -0.139 4.521 4.660 -0.000 0.000 0.299 369 W C 1.392 177.698 176.519 -0.355 0.000 1.203 369 W CA 0.953 58.167 57.345 -0.218 0.000 1.298 369 W CB -0.164 29.180 29.460 -0.193 0.000 1.127 369 W HN -0.059 nan 8.180 nan 0.000 0.528 370 R N 0.217 120.108 120.500 -1.014 0.000 2.081 370 R HA -0.122 4.218 4.340 -0.000 0.000 0.235 370 R C 2.229 178.068 176.300 -0.769 0.000 1.131 370 R CA 2.284 57.483 56.100 -1.503 0.000 0.960 370 R CB -1.088 28.252 30.300 -1.600 0.000 0.856 370 R HN 0.145 nan 8.270 nan 0.000 0.436 371 T N 1.987 116.326 114.554 -0.358 0.000 2.777 371 T HA -0.108 4.242 4.350 -0.000 0.000 0.266 371 T C 1.811 176.416 174.700 -0.157 0.000 1.040 371 T CA 1.004 63.062 62.100 -0.070 0.000 1.141 371 T CB -0.210 68.682 68.868 0.040 0.000 0.868 371 T HN 0.085 nan 8.240 nan 0.000 0.444 372 L N 1.459 122.538 121.223 -0.240 0.000 2.056 372 L HA 0.132 4.472 4.340 -0.000 0.000 0.207 372 L C 2.574 179.270 176.870 -0.289 0.000 1.078 372 L CA 1.840 56.551 54.840 -0.215 0.000 0.749 372 L CB -0.988 40.971 42.059 -0.167 0.000 0.901 372 L HN 0.209 nan 8.230 nan 0.000 0.433 373 A N -1.629 120.868 122.820 -0.538 0.000 1.930 373 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 373 A C 2.515 179.964 177.584 -0.225 0.000 1.175 373 A CA 1.748 53.462 52.037 -0.537 0.000 0.627 373 A CB -1.083 17.346 19.000 -0.953 0.000 0.815 373 A HN 0.522 nan 8.150 nan 0.000 0.443 374 S N -0.893 114.754 115.700 -0.088 0.000 2.399 374 S HA -0.145 4.325 4.470 -0.000 0.000 0.231 374 S C 1.891 176.512 174.600 0.034 0.000 1.022 374 S CA 1.547 59.814 58.200 0.111 0.000 0.983 374 S CB -0.268 63.030 63.200 0.164 0.000 0.803 374 S HN 0.563 nan 8.310 nan 0.000 0.480 375 E N 0.426 120.602 120.200 -0.040 0.000 2.140 375 E HA 0.127 4.477 4.350 -0.000 0.000 0.191 375 E C 1.986 178.557 176.600 -0.049 0.000 0.973 375 E CA 0.538 56.916 56.400 -0.037 0.000 0.829 375 E CB -0.034 29.635 29.700 -0.052 0.000 0.781 375 E HN 0.324 nan 8.360 nan 0.000 0.466 376 R N 0.280 120.725 120.500 -0.093 0.000 2.308 376 R HA 0.179 4.518 4.340 -0.000 0.000 0.202 376 R C 0.836 177.158 176.300 0.037 0.000 0.898 376 R CA 0.160 56.247 56.100 -0.021 0.000 1.046 376 R CB -0.134 30.120 30.300 -0.077 0.000 1.026 376 R HN -0.022 nan 8.270 nan 0.000 0.512 377 G N 1.070 109.686 108.800 -0.308 0.000 2.321 377 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.237 377 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.237 377 G C 0.605 175.476 174.900 -0.049 0.000 1.282 377 G CA -0.311 44.428 45.100 -0.603 0.000 0.886 377 G HN 0.221 nan 8.290 nan 0.000 0.528 378 R N 1.510 122.097 120.500 0.147 0.000 2.299 378 R HA 0.158 4.498 4.340 -0.000 0.000 0.197 378 R C 1.089 177.418 176.300 0.049 0.000 0.971 378 R CA 0.699 56.789 56.100 -0.016 0.000 1.030 378 R CB 0.344 30.433 30.300 -0.352 0.000 0.932 378 R HN 0.580 nan 8.270 nan 0.000 0.477 379 G N -0.243 108.663 108.800 0.177 0.000 2.733 379 G HA2 0.343 4.303 3.960 -0.000 0.000 0.297 379 G HA3 0.343 4.303 3.960 -0.000 0.000 0.297 379 G C -1.596 173.500 174.900 0.328 0.000 1.452 379 G CA -0.604 44.608 45.100 0.187 0.000 0.940 379 G HN -0.095 nan 8.290 nan 0.000 0.547 380 V N 1.460 121.513 119.914 0.232 0.000 2.370 380 V HA 0.602 4.722 4.120 -0.000 0.000 0.283 380 V C 0.176 176.322 176.094 0.086 0.000 1.023 380 V CA -0.743 61.679 62.300 0.203 0.000 0.857 380 V CB 1.390 33.313 31.823 0.167 0.000 0.985 380 V HN 0.697 nan 8.190 nan 0.000 0.443 381 R N 4.393 124.908 120.500 0.026 0.000 2.247 381 R HA 0.697 5.037 4.340 -0.000 0.000 0.329 381 R C -0.023 176.262 176.300 -0.024 0.000 1.014 381 R CA 0.042 56.135 56.100 -0.013 0.000 0.907 381 R CB 0.750 31.016 30.300 -0.057 0.000 1.146 381 R HN 0.840 nan 8.270 nan 0.000 0.499 382 A N 0.000 122.819 122.820 -0.002 0.000 2.254 382 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 382 A CA 0.000 52.037 52.037 0.000 0.000 0.836 382 A CB 0.000 19.005 19.000 0.008 0.000 0.831 382 A HN 0.000 nan 8.150 nan 0.000 0.486