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 3iyf_1_H DATA FIRST_RESID 7 DATA SEQUENCE VLPENMKRYM GRDAQRMNIL AGRIIAETVR STLGPKGMDK MLVDDLGDVV DATA SEQUENCE VTNDGVTILR EMSVEHPAAK MLIEVAKTQE KEVGDGTTTA VVVAGELLRK DATA SEQUENCE AEELLDQNVH PTIVVKGYQA AAQKAQELLK TIACEVGAQD KEILTKIAMT DATA SEQUENCE SITGKGAEKA KEKLAEIIVE AVSAVVDDEG KVDKDLIKIE KKSGASIDDT DATA SEQUENCE ELIKGVLVDK ERVSAQMPKK VTDAKIALLN CAIEETASEM LKDMVAEIKA DATA SEQUENCE SGANVLFCQK GIDDLAQHYL AKEGIVAARR VKKSDMEKLA KATGANVITN DATA SEQUENCE IKDLSAQDLG DAGLVEERKI SGDSMIFVEE CKHPKAVTML IRGTTEHVIE DATA SEQUENCE EVARAVDDAV GVVGCTIEDG RIVSGGGSTE VELSMKLREY AEGISGREQL DATA SEQUENCE AVRAFADALE VIPRTLAENA GLDAIEILVK VRAAHASNGN KCAGLNVFTG DATA SEQUENCE AVEDMCENGV VEPLRVKTQA IQSAAESTEM LLRIDDVIAA E 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 7 V HA 0.000 nan 4.120 nan 0.000 0.244 7 V C 0.000 176.087 176.094 -0.012 0.000 1.182 7 V CA 0.000 62.291 62.300 -0.015 0.000 1.235 7 V CB 0.000 31.814 31.823 -0.016 0.000 1.184 8 L N 1.640 122.856 121.223 -0.012 0.000 2.735 8 L HA 0.476 4.816 4.340 -0.000 0.000 0.258 8 L C -2.850 174.014 176.870 -0.011 0.000 0.920 8 L CA -1.131 53.701 54.840 -0.013 0.000 0.958 8 L CB 1.963 44.011 42.059 -0.019 0.000 1.499 8 L HN 0.317 nan 8.230 nan 0.000 0.441 9 P HA 0.115 nan 4.420 nan 0.000 0.269 9 P C -0.552 176.745 177.300 -0.006 0.000 1.215 9 P CA -0.414 62.683 63.100 -0.005 0.000 0.780 9 P CB 0.458 32.156 31.700 -0.002 0.000 0.898 10 E N 2.310 122.507 120.200 -0.005 0.000 3.188 10 E HA -0.359 3.991 4.350 -0.000 0.000 0.303 10 E C -0.070 176.529 176.600 -0.001 0.000 0.930 10 E CA 1.136 57.534 56.400 -0.003 0.000 1.002 10 E CB -0.181 29.518 29.700 -0.001 0.000 1.040 10 E HN 0.628 nan 8.360 nan 0.000 0.486 11 N N 1.010 119.710 118.700 0.001 0.000 1.997 11 N HA -0.337 4.403 4.740 -0.000 0.000 0.208 11 N C 0.708 176.219 175.510 0.001 0.000 1.299 11 N CA 1.682 54.735 53.050 0.005 0.000 3.527 11 N CB -1.206 37.288 38.487 0.013 0.000 0.748 11 N HN 0.664 nan 8.380 nan 0.000 0.365 12 M N -0.829 118.765 119.600 -0.009 0.000 7.318 12 M HA -0.247 4.233 4.480 -0.000 0.000 0.130 12 M C -0.909 175.357 176.300 -0.058 0.000 0.480 12 M CA 2.481 57.764 55.300 -0.028 0.000 1.311 12 M CB -1.916 30.669 32.600 -0.025 0.000 0.422 12 M HN 0.468 nan 8.290 nan 0.000 0.250 13 K N 1.342 121.687 120.400 -0.092 0.000 2.620 13 K HA 0.075 4.395 4.320 -0.000 0.000 0.276 13 K C 0.204 176.633 176.600 -0.284 0.000 0.978 13 K CA 0.952 57.120 56.287 -0.198 0.000 1.032 13 K CB -0.045 32.321 32.500 -0.224 0.000 0.832 13 K HN 0.513 nan 8.250 nan 0.000 0.496 14 R N 1.653 121.894 120.500 -0.431 0.000 2.533 14 R HA 0.273 4.613 4.340 -0.000 0.000 0.288 14 R C -1.979 174.069 176.300 -0.420 0.000 1.039 14 R CA -0.431 55.483 56.100 -0.309 0.000 0.909 14 R CB 0.908 31.116 30.300 -0.153 0.000 1.195 14 R HN 0.578 nan 8.270 nan 0.000 0.438 15 Y N 5.396 125.706 120.300 0.017 0.000 2.376 15 Y HA 0.506 5.055 4.550 -0.001 0.000 0.340 15 Y C 0.418 176.330 175.900 0.020 0.000 0.965 15 Y CA -0.953 57.157 58.100 0.017 0.000 1.078 15 Y CB 1.929 40.400 38.460 0.018 0.000 1.193 15 Y HN 0.469 nan 8.280 nan 0.000 0.452 16 M N 0.571 120.283 119.600 0.187 0.000 2.752 16 M HA 0.911 5.391 4.480 -0.000 0.000 0.285 16 M C 0.723 177.080 176.300 0.095 0.000 1.140 16 M CA -0.215 55.150 55.300 0.108 0.000 0.767 16 M CB 1.044 33.688 32.600 0.074 0.000 1.736 16 M HN 0.749 nan 8.290 nan 0.000 0.452 17 G N 0.869 109.710 108.800 0.067 0.000 2.622 17 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.307 17 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.307 17 G C 0.678 175.601 174.900 0.038 0.000 1.226 17 G CA 1.166 46.298 45.100 0.054 0.000 0.997 17 G HN 1.005 nan 8.290 nan 0.000 0.551 18 R N 0.424 120.944 120.500 0.033 0.000 2.061 18 R HA -0.082 4.258 4.340 -0.000 0.000 0.230 18 R C 2.467 178.768 176.300 0.002 0.000 1.140 18 R CA 2.240 58.349 56.100 0.015 0.000 0.940 18 R CB -0.601 29.706 30.300 0.012 0.000 0.839 18 R HN 0.638 nan 8.270 nan 0.000 0.429 19 D N 0.260 120.680 120.400 0.035 0.000 2.221 19 D HA -0.147 4.493 4.640 -0.000 0.000 0.204 19 D C 1.509 177.751 176.300 -0.097 0.000 0.982 19 D CA 1.298 55.306 54.000 0.013 0.000 0.857 19 D CB -0.164 40.792 40.800 0.261 0.000 0.934 19 D HN 0.395 nan 8.370 nan 0.000 0.475 20 A N 0.572 123.426 122.820 0.057 0.000 1.843 20 A HA -0.130 4.190 4.320 -0.000 0.000 0.213 20 A C 2.027 179.601 177.584 -0.016 0.000 1.239 20 A CA 1.337 53.404 52.037 0.050 0.000 0.606 20 A CB -0.878 18.188 19.000 0.109 0.000 0.903 20 A HN 0.124 nan 8.150 nan 0.000 0.455 21 Q N -0.586 119.214 119.800 -0.000 0.000 2.293 21 Q HA -0.419 3.921 4.340 -0.000 0.000 0.223 21 Q C 2.220 178.200 176.000 -0.034 0.000 1.087 21 Q CA 3.328 59.122 55.803 -0.016 0.000 0.966 21 Q CB -0.375 28.355 28.738 -0.014 0.000 1.076 21 Q HN 0.670 nan 8.270 nan 0.000 0.488 22 R N -0.592 119.869 120.500 -0.065 0.000 2.062 22 R HA -0.122 4.218 4.340 -0.000 0.000 0.231 22 R C 2.443 178.685 176.300 -0.097 0.000 1.136 22 R CA 1.817 57.868 56.100 -0.083 0.000 0.948 22 R CB -0.319 29.907 30.300 -0.124 0.000 0.845 22 R HN 0.431 nan 8.270 nan 0.000 0.430 23 M N 0.610 120.115 119.600 -0.158 0.000 2.106 23 M HA -0.229 4.251 4.480 -0.000 0.000 0.259 23 M C 1.798 178.121 176.300 0.039 0.000 1.068 23 M CA 2.064 57.269 55.300 -0.158 0.000 1.100 23 M CB -0.394 32.050 32.600 -0.261 0.000 1.351 23 M HN 0.422 nan 8.290 nan 0.000 0.404 24 N N -0.063 118.675 118.700 0.063 0.000 2.148 24 N HA -0.064 4.676 4.740 -0.000 0.000 0.186 24 N C 1.595 177.132 175.510 0.045 0.000 1.031 24 N CA 0.944 54.051 53.050 0.095 0.000 0.848 24 N CB -0.027 38.486 38.487 0.043 0.000 1.005 24 N HN 0.189 nan 8.380 nan 0.000 0.427 25 I N 1.492 122.069 120.570 0.010 0.000 2.181 25 I HA -0.324 3.846 4.170 -0.000 0.000 0.247 25 I C 2.309 178.429 176.117 0.005 0.000 1.081 25 I CA 1.231 62.529 61.300 -0.004 0.000 1.340 25 I CB -0.400 37.589 38.000 -0.018 0.000 1.036 25 I HN 0.241 nan 8.210 nan 0.000 0.417 26 L N 0.383 121.609 121.223 0.006 0.000 2.044 26 L HA -0.172 4.168 4.340 -0.000 0.000 0.205 26 L C 2.888 179.773 176.870 0.025 0.000 1.075 26 L CA 1.472 56.307 54.840 -0.007 0.000 0.747 26 L CB -0.487 41.545 42.059 -0.045 0.000 0.903 26 L HN 0.333 nan 8.230 nan 0.000 0.435 27 A N 0.195 123.068 122.820 0.087 0.000 1.870 27 A HA -0.288 4.032 4.320 -0.000 0.000 0.219 27 A C 2.180 179.796 177.584 0.054 0.000 1.224 27 A CA 2.343 54.470 52.037 0.150 0.000 0.650 27 A CB -1.519 17.672 19.000 0.318 0.000 0.836 27 A HN 0.519 nan 8.150 nan 0.000 0.454 28 G N -2.107 106.712 108.800 0.032 0.000 2.623 28 G HA2 0.003 3.963 3.960 -0.000 0.000 0.214 28 G HA3 0.003 3.963 3.960 -0.000 0.000 0.214 28 G C 1.688 176.587 174.900 -0.001 0.000 1.138 28 G CA 0.714 45.817 45.100 0.006 0.000 0.794 28 G HN 0.544 nan 8.290 nan 0.000 0.535 29 R N -0.428 120.071 120.500 -0.000 0.000 2.075 29 R HA 0.258 4.598 4.340 -0.000 0.000 0.220 29 R C 2.393 178.690 176.300 -0.006 0.000 1.118 29 R CA 0.273 56.368 56.100 -0.007 0.000 0.986 29 R CB -0.240 30.053 30.300 -0.011 0.000 0.884 29 R HN 0.292 nan 8.270 nan 0.000 0.439 30 I N 1.831 122.401 120.570 -0.000 0.000 2.053 30 I HA -0.379 3.791 4.170 -0.000 0.000 0.236 30 I C 2.227 178.344 176.117 -0.000 0.000 1.038 30 I CA 1.608 62.908 61.300 -0.000 0.000 1.304 30 I CB -0.561 37.442 38.000 0.005 0.000 1.023 30 I HN 0.185 nan 8.210 nan 0.000 0.395 31 I N 0.730 121.302 120.570 0.004 0.000 2.247 31 I HA -0.430 3.740 4.170 -0.000 0.000 0.249 31 I C 2.520 178.634 176.117 -0.005 0.000 1.027 31 I CA 2.359 63.659 61.300 0.001 0.000 1.316 31 I CB -2.001 36.001 38.000 0.003 0.000 1.007 31 I HN 0.345 nan 8.210 nan 0.000 0.430 32 A N 1.567 124.382 122.820 -0.008 0.000 1.843 32 A HA -0.127 4.193 4.320 -0.000 0.000 0.213 32 A C 2.196 179.772 177.584 -0.013 0.000 1.202 32 A CA 1.250 53.279 52.037 -0.013 0.000 0.607 32 A CB -0.764 18.226 19.000 -0.016 0.000 0.847 32 A HN 0.615 nan 8.150 nan 0.000 0.445 33 E N 0.008 120.201 120.200 -0.012 0.000 2.267 33 E HA -0.127 4.223 4.350 -0.000 0.000 0.197 33 E C 1.750 178.344 176.600 -0.011 0.000 0.998 33 E CA 1.316 57.708 56.400 -0.012 0.000 0.830 33 E CB -0.566 29.128 29.700 -0.011 0.000 0.751 33 E HN 0.589 nan 8.360 nan 0.000 0.491 34 T N 1.308 115.857 114.554 -0.008 0.000 2.545 34 T HA -0.138 4.212 4.350 -0.000 0.000 0.261 34 T C 1.733 176.428 174.700 -0.009 0.000 1.097 34 T CA 1.818 63.914 62.100 -0.007 0.000 1.189 34 T CB -0.229 68.636 68.868 -0.005 0.000 0.863 34 T HN 0.166 nan 8.240 nan 0.000 0.405 35 V N 1.995 121.903 119.914 -0.009 0.000 3.252 35 V HA 0.284 4.404 4.120 -0.000 0.000 0.350 35 V C 1.740 177.826 176.094 -0.014 0.000 1.329 35 V CA -0.216 62.078 62.300 -0.010 0.000 1.258 35 V CB -1.207 30.611 31.823 -0.008 0.000 1.208 35 V HN 0.460 nan 8.190 nan 0.000 0.462 36 R N 0.554 121.045 120.500 -0.015 0.000 2.140 36 R HA 0.068 4.408 4.340 -0.000 0.000 0.213 36 R C 1.580 177.869 176.300 -0.019 0.000 1.059 36 R CA 1.121 57.210 56.100 -0.019 0.000 1.000 36 R CB -0.692 29.596 30.300 -0.019 0.000 0.910 36 R HN 0.493 nan 8.270 nan 0.000 0.455 37 S N 0.975 116.665 115.700 -0.017 0.000 2.754 37 S HA -0.030 4.440 4.470 -0.000 0.000 0.223 37 S C 1.275 175.865 174.600 -0.017 0.000 0.951 37 S CA 0.689 58.878 58.200 -0.017 0.000 0.954 37 S CB 0.324 63.515 63.200 -0.016 0.000 0.780 37 S HN 0.606 nan 8.310 nan 0.000 0.509 38 T N -0.966 113.579 114.554 -0.015 0.000 3.000 38 T HA 0.297 4.647 4.350 -0.000 0.000 0.248 38 T C 0.465 175.157 174.700 -0.014 0.000 1.034 38 T CA -0.413 61.679 62.100 -0.013 0.000 1.060 38 T CB -0.414 68.449 68.868 -0.009 0.000 0.983 38 T HN 0.309 nan 8.240 nan 0.000 0.482 39 L N 2.331 123.544 121.223 -0.016 0.000 2.456 39 L HA 0.525 4.865 4.340 -0.000 0.000 0.272 39 L C 0.698 177.554 176.870 -0.024 0.000 1.189 39 L CA 1.480 56.310 54.840 -0.017 0.000 0.846 39 L CB -0.051 42.001 42.059 -0.013 0.000 1.111 39 L HN 0.787 nan 8.230 nan 0.000 0.475 40 G N 3.097 111.883 108.800 -0.024 0.000 2.663 40 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.686 40 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.686 40 G C -1.670 173.203 174.900 -0.044 0.000 1.288 40 G CA -0.557 44.521 45.100 -0.037 0.000 0.836 40 G HN 0.583 nan 8.290 nan 0.000 0.584 41 P HA -0.225 nan 4.420 nan 0.000 0.229 41 P C 1.442 178.689 177.300 -0.088 0.000 1.152 41 P CA 2.174 65.210 63.100 -0.106 0.000 0.915 41 P CB 0.116 31.681 31.700 -0.226 0.000 0.784 42 K N -1.367 118.984 120.400 -0.082 0.000 2.399 42 K HA 0.280 4.600 4.320 -0.000 0.000 0.204 42 K C 0.827 177.402 176.600 -0.042 0.000 1.023 42 K CA 0.102 56.348 56.287 -0.067 0.000 1.127 42 K CB 0.411 32.867 32.500 -0.072 0.000 0.856 42 K HN 0.125 nan 8.250 nan 0.000 0.514 43 G N 0.828 109.607 108.800 -0.034 0.000 2.400 43 G HA2 0.487 4.447 3.960 -0.000 0.000 0.301 43 G HA3 0.487 4.447 3.960 -0.000 0.000 0.301 43 G C -0.426 174.465 174.900 -0.016 0.000 1.154 43 G CA -0.313 44.773 45.100 -0.023 0.000 0.852 43 G HN -0.085 nan 8.290 nan 0.000 0.511 44 M N 0.760 120.352 119.600 -0.013 0.000 2.662 44 M HA 0.412 4.892 4.480 -0.000 0.000 0.310 44 M C -0.599 175.696 176.300 -0.008 0.000 1.204 44 M CA -1.387 53.907 55.300 -0.010 0.000 0.891 44 M CB 2.009 34.602 32.600 -0.010 0.000 1.732 44 M HN 0.510 nan 8.290 nan 0.000 0.467 45 D N 1.030 121.426 120.400 -0.007 0.000 2.506 45 D HA 0.678 5.318 4.640 -0.000 0.000 0.272 45 D C -0.849 175.448 176.300 -0.004 0.000 1.214 45 D CA -0.296 53.701 54.000 -0.005 0.000 1.067 45 D CB 0.822 41.618 40.800 -0.006 0.000 1.117 45 D HN 0.271 nan 8.370 nan 0.000 0.578 46 K N -0.239 120.159 120.400 -0.002 0.000 2.557 46 K HA 0.311 4.631 4.320 -0.000 0.000 0.257 46 K C -1.333 175.267 176.600 0.000 0.000 0.933 46 K CA -0.523 55.763 56.287 -0.001 0.000 0.820 46 K CB 2.227 34.726 32.500 -0.001 0.000 1.330 46 K HN 0.326 nan 8.250 nan 0.000 0.432 47 M N 5.646 125.246 119.600 0.000 0.000 2.480 47 M HA 0.297 4.777 4.480 -0.000 0.000 0.320 47 M C -1.247 175.054 176.300 0.003 0.000 1.141 47 M CA -0.739 54.562 55.300 0.002 0.000 1.102 47 M CB 0.126 32.727 32.600 0.001 0.000 1.249 47 M HN 0.553 nan 8.290 nan 0.000 0.446 48 L N 3.315 124.540 121.223 0.004 0.000 2.467 48 L HA 0.488 4.828 4.340 -0.000 0.000 0.270 48 L C -0.314 176.559 176.870 0.005 0.000 1.205 48 L CA -0.567 54.276 54.840 0.004 0.000 0.828 48 L CB 0.303 42.365 42.059 0.005 0.000 1.101 48 L HN 0.337 nan 8.230 nan 0.000 0.479 49 V N -0.384 119.533 119.914 0.005 0.000 3.087 49 V HA 0.363 4.483 4.120 -0.000 0.000 0.306 49 V C -1.156 174.941 176.094 0.005 0.000 1.187 49 V CA -0.812 61.491 62.300 0.005 0.000 0.999 49 V CB 2.424 34.249 31.823 0.004 0.000 1.049 49 V HN 0.960 nan 8.190 nan 0.000 0.431 50 D N 0.052 120.455 120.400 0.005 0.000 2.414 50 D HA 0.366 5.006 4.640 -0.000 0.000 0.241 50 D C 0.562 176.864 176.300 0.005 0.000 1.008 50 D CA -0.593 53.410 54.000 0.005 0.000 1.001 50 D CB 0.846 41.649 40.800 0.005 0.000 1.277 50 D HN 0.354 nan 8.370 nan 0.000 0.538 51 D N -0.115 120.288 120.400 0.005 0.000 3.111 51 D HA -0.242 4.398 4.640 -0.000 0.000 0.190 51 D C 1.967 178.269 176.300 0.004 0.000 1.141 51 D CA 1.795 55.798 54.000 0.005 0.000 0.888 51 D CB -0.274 40.529 40.800 0.005 0.000 0.905 51 D HN 0.452 nan 8.370 nan 0.000 0.497 52 L N -1.208 120.018 121.223 0.004 0.000 2.083 52 L HA -0.052 4.288 4.340 -0.000 0.000 0.209 52 L C 2.121 178.994 176.870 0.004 0.000 1.083 52 L CA 1.254 56.096 54.840 0.004 0.000 0.752 52 L CB -0.478 41.583 42.059 0.004 0.000 0.899 52 L HN 0.341 nan 8.230 nan 0.000 0.433 53 G N -1.065 107.737 108.800 0.004 0.000 2.179 53 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.220 53 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.220 53 G C -0.016 174.887 174.900 0.005 0.000 0.990 53 G CA -0.028 45.075 45.100 0.004 0.000 0.646 53 G HN 0.307 nan 8.290 nan 0.000 0.517 54 D N 0.900 121.303 120.400 0.005 0.000 2.488 54 D HA 0.411 5.051 4.640 -0.000 0.000 0.238 54 D C 0.783 177.087 176.300 0.007 0.000 1.138 54 D CA 0.942 54.946 54.000 0.006 0.000 0.873 54 D CB 1.244 42.047 40.800 0.007 0.000 1.183 54 D HN 0.881 nan 8.370 nan 0.000 0.458 55 V N 1.335 121.253 119.914 0.008 0.000 2.540 55 V HA 0.701 4.821 4.120 -0.000 0.000 0.302 55 V C -0.254 175.846 176.094 0.010 0.000 1.035 55 V CA -0.978 61.326 62.300 0.007 0.000 0.873 55 V CB 1.687 33.514 31.823 0.006 0.000 0.992 55 V HN 0.253 nan 8.190 nan 0.000 0.428 56 V N 3.137 123.056 119.914 0.009 0.000 2.577 56 V HA 0.655 4.775 4.120 -0.000 0.000 0.303 56 V C -0.277 175.823 176.094 0.010 0.000 1.042 56 V CA -0.656 61.651 62.300 0.012 0.000 0.872 56 V CB 1.565 33.395 31.823 0.011 0.000 0.998 56 V HN 0.701 nan 8.190 nan 0.000 0.423 57 V N 4.249 124.170 119.914 0.012 0.000 2.370 57 V HA 0.861 4.980 4.120 -0.000 0.000 0.283 57 V C 0.213 176.314 176.094 0.012 0.000 1.023 57 V CA 0.028 62.332 62.300 0.008 0.000 0.857 57 V CB 1.508 33.333 31.823 0.003 0.000 0.985 57 V HN 1.184 nan 8.190 nan 0.000 0.443 58 T N 0.329 114.888 114.554 0.008 0.000 2.957 58 T HA 0.313 4.663 4.350 -0.000 0.000 0.336 58 T C -0.074 174.629 174.700 0.006 0.000 1.462 58 T CA -0.683 61.423 62.100 0.010 0.000 1.073 58 T CB 1.850 70.727 68.868 0.014 0.000 1.319 58 T HN 0.329 nan 8.240 nan 0.000 0.485 59 N N -0.101 118.602 118.700 0.006 0.000 2.250 59 N HA 0.122 4.862 4.740 -0.000 0.000 0.190 59 N C -0.627 174.885 175.510 0.002 0.000 1.116 59 N CA -0.031 53.020 53.050 0.003 0.000 0.881 59 N CB 0.340 38.829 38.487 0.003 0.000 1.006 59 N HN 0.672 nan 8.380 nan 0.000 0.491 60 D N -0.248 120.155 120.400 0.005 0.000 2.396 60 D HA 0.344 4.984 4.640 -0.000 0.000 0.225 60 D C 1.357 177.658 176.300 0.002 0.000 1.121 60 D CA 0.049 54.052 54.000 0.004 0.000 0.853 60 D CB 0.836 41.640 40.800 0.007 0.000 1.043 60 D HN 0.287 nan 8.370 nan 0.000 0.500 61 G N 2.936 111.736 108.800 -0.000 0.000 3.135 61 G HA2 -0.435 3.525 3.960 -0.000 0.000 0.315 61 G HA3 -0.435 3.525 3.960 -0.000 0.000 0.315 61 G C 1.620 176.520 174.900 -0.001 0.000 1.187 61 G CA 1.378 46.477 45.100 -0.002 0.000 1.089 61 G HN 0.502 nan 8.290 nan 0.000 0.972 62 V N 0.357 120.271 119.914 -0.000 0.000 2.218 62 V HA -0.252 3.868 4.120 -0.000 0.000 0.251 62 V C 3.019 179.114 176.094 0.001 0.000 1.057 62 V CA 3.675 65.975 62.300 -0.000 0.000 1.022 62 V CB -0.977 30.846 31.823 0.000 0.000 0.645 62 V HN 0.562 nan 8.190 nan 0.000 0.451 63 T N 0.032 114.588 114.554 0.002 0.000 2.977 63 T HA -0.063 4.287 4.350 -0.000 0.000 0.271 63 T C 1.652 176.354 174.700 0.004 0.000 1.105 63 T CA 1.624 63.726 62.100 0.004 0.000 1.116 63 T CB -0.311 68.560 68.868 0.005 0.000 0.878 63 T HN 0.464 nan 8.240 nan 0.000 0.509 64 I N -0.057 120.515 120.570 0.003 0.000 2.617 64 I HA 0.015 4.185 4.170 -0.000 0.000 0.256 64 I C 1.599 177.717 176.117 0.002 0.000 1.167 64 I CA 1.083 62.385 61.300 0.003 0.000 1.469 64 I CB 0.121 38.122 38.000 0.001 0.000 1.098 64 I HN 0.251 nan 8.210 nan 0.000 0.436 65 L N -0.962 120.261 121.223 0.001 0.000 2.575 65 L HA 0.121 4.461 4.340 -0.000 0.000 0.228 65 L C 2.319 179.190 176.870 0.001 0.000 1.075 65 L CA 0.032 54.872 54.840 0.001 0.000 0.867 65 L CB -0.252 41.806 42.059 -0.001 0.000 1.097 65 L HN 0.010 nan 8.230 nan 0.000 0.485 66 R N 0.957 121.458 120.500 0.001 0.000 2.113 66 R HA -0.185 4.155 4.340 -0.000 0.000 0.231 66 R C 2.194 178.496 176.300 0.003 0.000 1.129 66 R CA 2.062 58.163 56.100 0.002 0.000 0.915 66 R CB 0.007 30.308 30.300 0.002 0.000 0.837 66 R HN 0.213 nan 8.270 nan 0.000 0.430 67 E N 0.043 120.245 120.200 0.004 0.000 2.051 67 E HA -0.105 4.245 4.350 -0.000 0.000 0.189 67 E C 0.797 177.400 176.600 0.005 0.000 0.979 67 E CA 0.482 56.885 56.400 0.005 0.000 0.803 67 E CB -0.176 29.527 29.700 0.005 0.000 0.761 67 E HN 0.261 nan 8.360 nan 0.000 0.451 68 M N 2.134 121.737 119.600 0.005 0.000 3.353 68 M HA -0.024 4.456 4.480 -0.000 0.000 0.233 68 M C 0.069 176.374 176.300 0.008 0.000 1.712 68 M CA -0.296 55.007 55.300 0.006 0.000 1.722 68 M CB -1.658 30.946 32.600 0.006 0.000 1.419 68 M HN -0.182 nan 8.290 nan 0.000 0.508 69 S N 1.301 117.006 115.700 0.008 0.000 4.268 69 S HA -0.060 4.410 4.470 -0.000 0.000 0.291 69 S C 0.216 174.825 174.600 0.015 0.000 0.440 69 S CA 0.315 58.522 58.200 0.011 0.000 1.363 69 S CB -0.506 62.700 63.200 0.010 0.000 1.853 69 S HN 0.683 nan 8.310 nan 0.000 0.331 70 V N 3.830 123.754 119.914 0.016 0.000 2.247 70 V HA 0.419 4.539 4.120 -0.000 0.000 0.262 70 V C 0.968 177.083 176.094 0.034 0.000 1.096 70 V CA -0.002 62.311 62.300 0.023 0.000 0.895 70 V CB 0.476 32.309 31.823 0.017 0.000 1.141 70 V HN 0.859 nan 8.190 nan 0.000 0.478 71 E N 3.261 123.489 120.200 0.046 0.000 1.998 71 E HA -0.285 4.065 4.350 -0.000 0.000 0.221 71 E C 0.867 177.533 176.600 0.109 0.000 1.018 71 E CA 1.750 58.191 56.400 0.068 0.000 0.891 71 E CB -0.603 29.135 29.700 0.062 0.000 0.807 71 E HN 0.827 nan 8.360 nan 0.000 0.523 72 H N 2.075 121.149 119.070 0.007 0.000 3.094 72 H HA 0.008 4.565 4.556 0.000 0.000 0.320 72 H C -1.902 173.430 175.328 0.007 0.000 1.000 72 H CA -1.538 54.514 56.048 0.008 0.000 1.413 72 H CB 0.955 30.717 29.762 -0.001 0.000 1.405 72 H HN 0.036 nan 8.280 nan 0.000 0.586 73 P HA 0.100 nan 4.420 nan 0.000 0.228 73 P C 0.933 178.099 177.300 -0.223 0.000 1.166 73 P CA 1.368 64.372 63.100 -0.160 0.000 0.812 73 P CB 0.316 31.967 31.700 -0.081 0.000 0.857 74 A N 0.754 123.328 122.820 -0.411 0.000 1.902 74 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 74 A C 2.184 179.656 177.584 -0.188 0.000 1.181 74 A CA 1.955 53.827 52.037 -0.274 0.000 0.623 74 A CB -1.619 17.196 19.000 -0.308 0.000 0.818 74 A HN 0.175 nan 8.150 nan 0.000 0.443 75 A N 0.023 122.708 122.820 -0.225 0.000 2.239 75 A HA 0.022 4.342 4.320 -0.000 0.000 0.209 75 A C 1.850 179.397 177.584 -0.063 0.000 1.171 75 A CA 1.776 53.762 52.037 -0.084 0.000 0.768 75 A CB -0.312 18.680 19.000 -0.013 0.000 0.790 75 A HN 0.597 nan 8.150 nan 0.000 0.478 76 K N -0.941 119.412 120.400 -0.079 0.000 2.098 76 K HA 0.109 4.429 4.320 -0.000 0.000 0.203 76 K C 1.410 177.987 176.600 -0.038 0.000 1.051 76 K CA 1.069 57.328 56.287 -0.047 0.000 0.957 76 K CB -0.724 31.762 32.500 -0.024 0.000 0.738 76 K HN 0.159 nan 8.250 nan 0.000 0.447 77 M N 0.357 119.927 119.600 -0.049 0.000 2.413 77 M HA -0.101 4.379 4.480 -0.000 0.000 0.258 77 M C 1.648 177.931 176.300 -0.028 0.000 1.081 77 M CA 1.215 56.492 55.300 -0.039 0.000 1.047 77 M CB -0.700 31.871 32.600 -0.048 0.000 1.390 77 M HN 0.275 nan 8.290 nan 0.000 0.438 78 L N -1.563 119.643 121.223 -0.028 0.000 2.286 78 L HA -0.018 4.322 4.340 -0.000 0.000 0.203 78 L C 2.129 178.991 176.870 -0.013 0.000 1.068 78 L CA 0.083 54.911 54.840 -0.020 0.000 0.811 78 L CB -0.191 41.855 42.059 -0.021 0.000 0.989 78 L HN 0.081 nan 8.230 nan 0.000 0.467 79 I N 0.666 121.229 120.570 -0.012 0.000 2.181 79 I HA -0.396 3.774 4.170 -0.000 0.000 0.247 79 I C 2.079 178.192 176.117 -0.007 0.000 1.081 79 I CA 2.034 63.329 61.300 -0.008 0.000 1.340 79 I CB -0.034 37.962 38.000 -0.006 0.000 1.036 79 I HN 0.339 nan 8.210 nan 0.000 0.417 80 E N -0.453 119.742 120.200 -0.008 0.000 2.265 80 E HA -0.194 4.156 4.350 -0.000 0.000 0.196 80 E C 2.223 178.820 176.600 -0.004 0.000 0.996 80 E CA 1.263 57.659 56.400 -0.006 0.000 0.832 80 E CB -0.438 29.258 29.700 -0.008 0.000 0.756 80 E HN 0.567 nan 8.360 nan 0.000 0.491 81 V N 0.654 120.565 119.914 -0.005 0.000 2.379 81 V HA -0.080 4.039 4.120 -0.000 0.000 0.245 81 V C 1.940 178.033 176.094 -0.002 0.000 1.044 81 V CA 1.953 64.251 62.300 -0.003 0.000 1.036 81 V CB 0.107 31.930 31.823 0.000 0.000 0.664 81 V HN 0.320 nan 8.190 nan 0.000 0.453 82 A N -1.101 121.717 122.820 -0.003 0.000 2.044 82 A HA 0.099 4.419 4.320 -0.000 0.000 0.213 82 A C 2.282 179.864 177.584 -0.002 0.000 1.169 82 A CA 0.962 52.998 52.037 -0.003 0.000 0.724 82 A CB -0.422 18.576 19.000 -0.004 0.000 0.840 82 A HN 0.483 nan 8.150 nan 0.000 0.463 83 K N -0.216 120.182 120.400 -0.002 0.000 2.057 83 K HA -0.108 4.212 4.320 -0.000 0.000 0.207 83 K C 1.438 178.038 176.600 -0.001 0.000 1.049 83 K CA 1.796 58.082 56.287 -0.002 0.000 0.931 83 K CB -0.131 32.368 32.500 -0.002 0.000 0.714 83 K HN 0.421 nan 8.250 nan 0.000 0.440 84 T N 0.184 114.738 114.554 -0.000 0.000 3.067 84 T HA -0.062 4.288 4.350 -0.000 0.000 0.261 84 T C 1.461 176.162 174.700 0.001 0.000 1.110 84 T CA 0.696 62.796 62.100 0.001 0.000 1.113 84 T CB 0.143 69.011 68.868 0.001 0.000 0.917 84 T HN 0.216 nan 8.240 nan 0.000 0.499 85 Q N 0.705 120.506 119.800 0.001 0.000 2.360 85 Q HA 0.165 4.505 4.340 -0.000 0.000 0.202 85 Q C 1.968 177.969 176.000 0.001 0.000 0.915 85 Q CA 0.465 56.270 55.803 0.002 0.000 0.943 85 Q CB 0.146 28.885 28.738 0.003 0.000 1.064 85 Q HN 0.431 nan 8.270 nan 0.000 0.511 86 E N 0.418 120.618 120.200 0.000 0.000 2.045 86 E HA -0.089 4.261 4.350 -0.000 0.000 0.190 86 E C 1.084 177.683 176.600 -0.000 0.000 0.968 86 E CA 0.598 56.998 56.400 0.000 0.000 0.813 86 E CB 0.095 29.795 29.700 -0.000 0.000 0.780 86 E HN 0.244 nan 8.360 nan 0.000 0.455 87 K N 0.559 120.959 120.400 -0.001 0.000 2.374 87 K HA -0.188 4.132 4.320 -0.000 0.000 0.202 87 K C 1.770 178.369 176.600 -0.001 0.000 1.044 87 K CA 1.415 57.701 56.287 -0.001 0.000 0.933 87 K CB 0.042 32.541 32.500 -0.001 0.000 0.745 87 K HN 0.284 nan 8.250 nan 0.000 0.474 88 E N -0.020 120.180 120.200 -0.001 0.000 2.402 88 E HA -0.050 4.300 4.350 -0.000 0.000 0.261 88 E C 1.749 178.349 176.600 -0.001 0.000 0.823 88 E CA 0.189 56.589 56.400 -0.000 0.000 1.205 88 E CB -0.678 29.022 29.700 0.000 0.000 1.431 88 E HN -0.059 nan 8.360 nan 0.000 0.518 89 V N 0.127 120.041 119.914 0.000 0.000 2.265 89 V HA -0.354 3.766 4.120 -0.000 0.000 0.247 89 V C 1.503 177.597 176.094 0.000 0.000 1.024 89 V CA 3.241 65.542 62.300 0.000 0.000 1.038 89 V CB -0.843 30.981 31.823 0.001 0.000 0.675 89 V HN 0.852 nan 8.190 nan 0.000 0.485 90 G N -2.620 106.180 108.800 0.001 0.000 3.532 90 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.196 90 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.196 90 G C -0.087 174.814 174.900 0.002 0.000 2.074 90 G CA 0.252 45.353 45.100 0.001 0.000 1.323 90 G HN 0.704 nan 8.290 nan 0.000 0.439 91 D N 1.644 122.045 120.400 0.002 0.000 3.126 91 D HA 0.207 4.846 4.640 -0.000 0.000 0.197 91 D C 1.380 177.682 176.300 0.002 0.000 1.254 91 D CA 2.864 56.866 54.000 0.002 0.000 0.785 91 D CB -1.339 39.463 40.800 0.003 0.000 0.861 91 D HN 2.091 nan 8.370 nan 0.000 0.392 92 G N 0.444 109.244 108.800 0.001 0.000 2.141 92 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.195 92 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.195 92 G C 1.207 176.106 174.900 -0.002 0.000 1.012 92 G CA 1.020 46.120 45.100 -0.001 0.000 0.696 92 G HN 0.654 nan 8.290 nan 0.000 0.508 93 T N -1.974 112.579 114.554 -0.002 0.000 2.746 93 T HA -0.142 4.208 4.350 -0.000 0.000 0.267 93 T C 2.705 177.402 174.700 -0.005 0.000 1.039 93 T CA 2.679 64.777 62.100 -0.002 0.000 1.142 93 T CB -0.926 67.941 68.868 -0.002 0.000 0.866 93 T HN 1.295 nan 8.240 nan 0.000 0.444 94 T N 0.582 115.132 114.554 -0.006 0.000 2.746 94 T HA -0.159 4.191 4.350 -0.000 0.000 0.267 94 T C 2.081 176.773 174.700 -0.013 0.000 1.039 94 T CA 1.940 64.034 62.100 -0.010 0.000 1.142 94 T CB -1.432 67.430 68.868 -0.010 0.000 0.866 94 T HN 0.467 nan 8.240 nan 0.000 0.444 95 T N 2.051 116.598 114.554 -0.012 0.000 2.770 95 T HA 0.280 4.630 4.350 -0.000 0.000 0.258 95 T C 2.563 177.254 174.700 -0.015 0.000 1.039 95 T CA 1.006 63.097 62.100 -0.015 0.000 1.143 95 T CB -1.018 67.844 68.868 -0.011 0.000 0.866 95 T HN 0.571 nan 8.240 nan 0.000 0.428 96 A N 1.641 124.456 122.820 -0.008 0.000 1.915 96 A HA -0.164 4.156 4.320 -0.000 0.000 0.220 96 A C 2.648 180.225 177.584 -0.012 0.000 1.198 96 A CA 2.448 54.482 52.037 -0.005 0.000 0.647 96 A CB -1.204 17.796 19.000 0.001 0.000 0.825 96 A HN 0.549 nan 8.150 nan 0.000 0.456 97 V N -3.134 116.771 119.914 -0.014 0.000 2.878 97 V HA 0.018 4.138 4.120 -0.000 0.000 0.250 97 V C 2.031 178.111 176.094 -0.022 0.000 1.075 97 V CA 1.671 63.962 62.300 -0.016 0.000 1.096 97 V CB -0.258 31.558 31.823 -0.011 0.000 0.724 97 V HN 0.192 nan 8.190 nan 0.000 0.467 98 V N 1.288 121.186 119.914 -0.027 0.000 2.256 98 V HA -0.097 4.023 4.120 -0.000 0.000 0.240 98 V C 2.698 178.764 176.094 -0.046 0.000 1.036 98 V CA 2.022 64.303 62.300 -0.032 0.000 1.008 98 V CB 0.034 31.838 31.823 -0.031 0.000 0.648 98 V HN 0.594 nan 8.190 nan 0.000 0.453 99 V N -0.636 119.245 119.914 -0.056 0.000 3.284 99 V HA -0.085 4.035 4.120 -0.000 0.000 0.273 99 V C 1.885 177.914 176.094 -0.108 0.000 1.178 99 V CA 1.866 64.112 62.300 -0.090 0.000 1.177 99 V CB -1.241 30.521 31.823 -0.102 0.000 0.793 99 V HN 0.382 nan 8.190 nan 0.000 0.536 100 A N 0.805 123.586 122.820 -0.065 0.000 1.901 100 A HA 0.403 4.723 4.320 -0.000 0.000 0.210 100 A C 2.273 179.834 177.584 -0.039 0.000 1.208 100 A CA 0.976 52.987 52.037 -0.043 0.000 0.644 100 A CB -1.037 17.950 19.000 -0.022 0.000 0.863 100 A HN 0.633 nan 8.150 nan 0.000 0.454 101 G N -0.414 108.365 108.800 -0.035 0.000 2.403 101 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.216 101 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.216 101 G C 1.388 176.268 174.900 -0.033 0.000 1.154 101 G CA 1.215 46.298 45.100 -0.030 0.000 0.784 101 G HN 0.460 nan 8.290 nan 0.000 0.538 102 E N -0.030 120.144 120.200 -0.044 0.000 2.085 102 E HA -0.087 4.263 4.350 -0.000 0.000 0.194 102 E C 2.209 178.777 176.600 -0.052 0.000 0.994 102 E CA 0.560 56.930 56.400 -0.049 0.000 0.801 102 E CB -0.352 29.310 29.700 -0.063 0.000 0.743 102 E HN 0.313 nan 8.360 nan 0.000 0.453 103 L N -0.167 121.009 121.223 -0.079 0.000 2.610 103 L HA 0.083 4.423 4.340 -0.000 0.000 0.232 103 L C 1.460 178.333 176.870 0.005 0.000 1.149 103 L CA 0.704 55.501 54.840 -0.073 0.000 0.872 103 L CB 0.094 42.033 42.059 -0.200 0.000 0.992 103 L HN 0.181 nan 8.230 nan 0.000 0.447 104 L N -1.305 119.909 121.223 -0.016 0.000 2.202 104 L HA 0.011 4.351 4.340 -0.000 0.000 0.205 104 L C 2.646 179.506 176.870 -0.018 0.000 1.083 104 L CA 0.574 55.403 54.840 -0.018 0.000 0.790 104 L CB -0.591 41.455 42.059 -0.021 0.000 0.942 104 L HN 0.253 nan 8.230 nan 0.000 0.452 105 R N 0.929 121.420 120.500 -0.015 0.000 2.062 105 R HA -0.150 4.190 4.340 -0.000 0.000 0.231 105 R C 2.051 178.348 176.300 -0.004 0.000 1.136 105 R CA 1.330 57.422 56.100 -0.013 0.000 0.948 105 R CB -0.202 30.089 30.300 -0.014 0.000 0.845 105 R HN 0.125 nan 8.270 nan 0.000 0.430 106 K N 0.418 120.822 120.400 0.007 0.000 2.209 106 K HA -0.054 4.266 4.320 -0.000 0.000 0.204 106 K C 1.926 178.552 176.600 0.043 0.000 1.048 106 K CA 1.283 57.590 56.287 0.032 0.000 0.940 106 K CB -0.133 32.397 32.500 0.051 0.000 0.729 106 K HN 0.384 nan 8.250 nan 0.000 0.451 107 A N 0.709 123.541 122.820 0.019 0.000 1.970 107 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 107 A C 2.082 179.641 177.584 -0.041 0.000 1.170 107 A CA 1.059 53.071 52.037 -0.042 0.000 0.645 107 A CB -0.215 18.721 19.000 -0.107 0.000 0.816 107 A HN 0.357 nan 8.150 nan 0.000 0.447 108 E N 0.218 120.402 120.200 -0.026 0.000 2.058 108 E HA -0.233 4.117 4.350 -0.000 0.000 0.194 108 E C 1.848 178.438 176.600 -0.016 0.000 0.997 108 E CA 1.437 57.822 56.400 -0.024 0.000 0.801 108 E CB -0.153 29.536 29.700 -0.018 0.000 0.746 108 E HN 0.705 nan 8.360 nan 0.000 0.450 109 E N 0.207 120.404 120.200 -0.006 0.000 2.130 109 E HA -0.237 4.113 4.350 -0.000 0.000 0.196 109 E C 2.248 178.849 176.600 0.001 0.000 0.998 109 E CA 1.282 57.683 56.400 0.002 0.000 0.806 109 E CB -0.130 29.578 29.700 0.013 0.000 0.738 109 E HN 0.359 nan 8.360 nan 0.000 0.459 110 L N 0.384 121.605 121.223 -0.003 0.000 1.988 110 L HA -0.191 4.149 4.340 -0.000 0.000 0.207 110 L C 2.516 179.375 176.870 -0.019 0.000 1.071 110 L CA 0.999 55.834 54.840 -0.009 0.000 0.744 110 L CB -0.753 41.297 42.059 -0.014 0.000 0.893 110 L HN 0.133 nan 8.230 nan 0.000 0.433 111 L N 0.045 121.245 121.223 -0.037 0.000 2.357 111 L HA -0.248 4.092 4.340 -0.000 0.000 0.220 111 L C 1.969 178.830 176.870 -0.015 0.000 1.123 111 L CA 1.058 55.875 54.840 -0.039 0.000 0.782 111 L CB -0.995 41.029 42.059 -0.059 0.000 0.910 111 L HN 0.430 nan 8.230 nan 0.000 0.442 112 D N -0.161 120.233 120.400 -0.010 0.000 2.213 112 D HA -0.142 4.498 4.640 -0.000 0.000 0.205 112 D C 2.068 178.370 176.300 0.003 0.000 0.961 112 D CA 0.736 54.734 54.000 -0.002 0.000 0.853 112 D CB -0.273 40.526 40.800 -0.003 0.000 0.967 112 D HN 0.394 nan 8.370 nan 0.000 0.496 113 Q N 2.581 122.383 119.800 0.005 0.000 2.592 113 Q HA -0.250 4.090 4.340 -0.000 0.000 0.219 113 Q C 0.253 176.260 176.000 0.013 0.000 0.984 113 Q CA 0.688 56.496 55.803 0.009 0.000 0.911 113 Q CB -1.933 26.811 28.738 0.010 0.000 0.962 113 Q HN 0.482 nan 8.270 nan 0.000 0.532 114 N N -0.932 117.777 118.700 0.015 0.000 2.666 114 N HA -0.221 4.519 4.740 -0.000 0.000 0.248 114 N C -0.249 175.286 175.510 0.041 0.000 1.118 114 N CA 0.379 53.447 53.050 0.029 0.000 0.722 114 N CB -0.822 37.688 38.487 0.038 0.000 1.050 114 N HN 0.419 nan 8.380 nan 0.000 0.550 115 V N 0.146 120.076 119.914 0.028 0.000 2.459 115 V HA 0.015 4.135 4.120 -0.000 0.000 0.255 115 V C 0.554 176.666 176.094 0.030 0.000 1.015 115 V CA 0.185 62.504 62.300 0.032 0.000 1.163 115 V CB -0.668 31.169 31.823 0.022 0.000 1.109 115 V HN 0.440 nan 8.190 nan 0.000 0.473 116 H N 6.420 125.482 119.070 -0.013 0.000 2.097 116 H HA -0.111 4.445 4.556 -0.000 0.000 0.304 116 H C -1.216 174.097 175.328 -0.024 0.000 0.833 116 H CA 0.827 56.866 56.048 -0.014 0.000 1.006 116 H CB -0.031 29.725 29.762 -0.009 0.000 1.562 116 H HN 0.729 nan 8.280 nan 0.000 0.290 117 P HA -0.266 nan 4.420 nan 0.000 0.218 117 P C 1.360 178.508 177.300 -0.254 0.000 1.147 117 P CA 2.140 65.009 63.100 -0.384 0.000 0.827 117 P CB -0.005 31.360 31.700 -0.558 0.000 0.778 118 T N -4.041 110.407 114.554 -0.178 0.000 3.155 118 T HA -0.010 4.340 4.350 -0.000 0.000 0.264 118 T C 1.716 176.418 174.700 0.003 0.000 1.160 118 T CA 0.414 62.505 62.100 -0.015 0.000 1.075 118 T CB -0.553 68.399 68.868 0.139 0.000 0.921 118 T HN 0.048 nan 8.240 nan 0.000 0.533 119 I N -0.105 120.456 120.570 -0.015 0.000 3.172 119 I HA 0.132 4.302 4.170 -0.000 0.000 0.278 119 I C 2.468 178.578 176.117 -0.012 0.000 1.174 119 I CA 0.337 61.639 61.300 0.003 0.000 1.445 119 I CB -0.328 37.684 38.000 0.019 0.000 1.175 119 I HN 0.176 nan 8.210 nan 0.000 0.447 120 V N 1.881 121.739 119.914 -0.092 0.000 2.469 120 V HA -0.205 3.915 4.120 -0.000 0.000 0.251 120 V C 2.572 178.454 176.094 -0.353 0.000 1.064 120 V CA 2.270 64.435 62.300 -0.225 0.000 1.066 120 V CB -0.099 31.526 31.823 -0.331 0.000 0.667 120 V HN 0.349 nan 8.190 nan 0.000 0.461 121 V N -2.107 117.695 119.914 -0.186 0.000 2.488 121 V HA -0.048 4.072 4.120 -0.000 0.000 0.246 121 V C 2.380 178.512 176.094 0.063 0.000 1.046 121 V CA 2.015 64.266 62.300 -0.081 0.000 1.053 121 V CB -0.968 30.823 31.823 -0.053 0.000 0.679 121 V HN 0.426 nan 8.190 nan 0.000 0.458 122 K N 1.373 121.801 120.400 0.047 0.000 2.515 122 K HA 0.127 4.447 4.320 -0.000 0.000 0.196 122 K C 1.850 178.517 176.600 0.112 0.000 1.038 122 K CA 1.097 57.423 56.287 0.066 0.000 0.967 122 K CB -0.466 32.061 32.500 0.045 0.000 0.780 122 K HN 0.650 nan 8.250 nan 0.000 0.483 123 G N -1.050 107.872 108.800 0.204 0.000 2.486 123 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.210 123 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.210 123 G C 0.796 175.884 174.900 0.314 0.000 1.168 123 G CA 0.081 45.352 45.100 0.285 0.000 0.820 123 G HN 0.184 nan 8.290 nan 0.000 0.544 124 Y N 2.150 122.456 120.300 0.010 0.000 2.108 124 Y HA -0.361 4.189 4.550 0.000 0.000 0.274 124 Y C 2.980 178.795 175.900 -0.143 0.000 1.229 124 Y CA 1.424 59.522 58.100 -0.004 0.000 1.129 124 Y CB -1.191 37.395 38.460 0.211 0.000 0.946 124 Y HN 0.527 nan 8.280 nan 0.000 0.509 125 Q N -0.811 119.037 119.800 0.080 0.000 2.165 125 Q HA 0.153 4.493 4.340 -0.000 0.000 0.197 125 Q C 2.437 178.415 176.000 -0.036 0.000 0.952 125 Q CA 0.871 56.684 55.803 0.016 0.000 0.848 125 Q CB -0.684 28.081 28.738 0.045 0.000 0.931 125 Q HN 0.282 nan 8.270 nan 0.000 0.470 126 A N 1.720 124.534 122.820 -0.011 0.000 1.933 126 A HA 0.051 4.371 4.320 -0.000 0.000 0.218 126 A C 2.263 179.797 177.584 -0.083 0.000 1.175 126 A CA 1.567 53.603 52.037 -0.002 0.000 0.628 126 A CB -0.676 18.375 19.000 0.084 0.000 0.814 126 A HN 0.520 nan 8.150 nan 0.000 0.444 127 A N -1.428 121.283 122.820 -0.182 0.000 2.251 127 A HA 0.552 4.872 4.320 -0.000 0.000 0.209 127 A C 1.818 179.079 177.584 -0.539 0.000 1.187 127 A CA 1.137 52.947 52.037 -0.378 0.000 0.823 127 A CB -0.379 18.382 19.000 -0.398 0.000 0.846 127 A HN 0.911 nan 8.150 nan 0.000 0.486 128 A N -0.983 121.606 122.820 -0.385 0.000 2.192 128 A HA 0.195 4.515 4.320 -0.000 0.000 0.208 128 A C 1.817 179.301 177.584 -0.167 0.000 1.220 128 A CA 0.644 52.510 52.037 -0.285 0.000 0.900 128 A CB 0.036 18.944 19.000 -0.153 0.000 0.937 128 A HN 0.482 nan 8.150 nan 0.000 0.487 129 Q N 0.224 119.932 119.800 -0.153 0.000 2.165 129 Q HA 0.017 4.356 4.340 -0.000 0.000 0.197 129 Q C 1.926 177.826 176.000 -0.167 0.000 0.952 129 Q CA 1.294 57.025 55.803 -0.120 0.000 0.848 129 Q CB -0.265 28.428 28.738 -0.073 0.000 0.931 129 Q HN 0.633 nan 8.270 nan 0.000 0.470 130 K N 1.375 121.622 120.400 -0.255 0.000 2.103 130 K HA -0.120 4.199 4.320 -0.000 0.000 0.207 130 K C 1.881 178.309 176.600 -0.287 0.000 1.048 130 K CA 1.356 57.418 56.287 -0.374 0.000 0.930 130 K CB -0.173 31.872 32.500 -0.759 0.000 0.716 130 K HN 0.187 nan 8.250 nan 0.000 0.444 131 A N 0.404 123.073 122.820 -0.251 0.000 2.167 131 A HA -0.043 4.277 4.320 -0.000 0.000 0.214 131 A C 1.813 179.324 177.584 -0.123 0.000 1.151 131 A CA 0.654 52.585 52.037 -0.177 0.000 0.735 131 A CB -0.140 18.759 19.000 -0.168 0.000 0.802 131 A HN 0.321 nan 8.150 nan 0.000 0.467 132 Q N -0.019 119.711 119.800 -0.116 0.000 2.389 132 Q HA -0.020 4.320 4.340 -0.000 0.000 0.204 132 Q C 1.541 177.497 176.000 -0.073 0.000 0.944 132 Q CA 0.923 56.679 55.803 -0.078 0.000 0.908 132 Q CB -0.003 28.693 28.738 -0.070 0.000 1.002 132 Q HN 0.811 nan 8.270 nan 0.000 0.493 133 E N -0.091 120.051 120.200 -0.097 0.000 2.033 133 E HA -0.076 4.274 4.350 -0.000 0.000 0.189 133 E C 2.059 178.611 176.600 -0.081 0.000 0.979 133 E CA 0.700 57.044 56.400 -0.092 0.000 0.802 133 E CB -0.043 29.590 29.700 -0.112 0.000 0.763 133 E HN 0.225 nan 8.360 nan 0.000 0.449 134 L N 0.646 121.806 121.223 -0.104 0.000 2.046 134 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 134 L C 2.414 179.249 176.870 -0.059 0.000 1.077 134 L CA 1.011 55.801 54.840 -0.083 0.000 0.747 134 L CB -0.501 41.497 42.059 -0.102 0.000 0.896 134 L HN 0.030 nan 8.230 nan 0.000 0.432 135 L N -0.388 120.803 121.223 -0.053 0.000 2.465 135 L HA -0.093 4.247 4.340 -0.000 0.000 0.224 135 L C 2.278 179.135 176.870 -0.022 0.000 1.145 135 L CA 1.027 55.847 54.840 -0.034 0.000 0.834 135 L CB -0.302 41.740 42.059 -0.028 0.000 0.944 135 L HN 0.204 nan 8.230 nan 0.000 0.451 136 K N -1.043 119.341 120.400 -0.026 0.000 2.305 136 K HA -0.045 4.275 4.320 -0.000 0.000 0.199 136 K C 2.156 178.750 176.600 -0.011 0.000 1.047 136 K CA 1.244 57.520 56.287 -0.017 0.000 0.976 136 K CB -0.220 32.268 32.500 -0.020 0.000 0.765 136 K HN 0.341 nan 8.250 nan 0.000 0.474 137 T N 0.836 115.382 114.554 -0.014 0.000 2.684 137 T HA -0.171 4.179 4.350 -0.000 0.000 0.267 137 T C 1.946 176.654 174.700 0.013 0.000 1.036 137 T CA 1.562 63.659 62.100 -0.005 0.000 1.148 137 T CB -0.482 68.380 68.868 -0.009 0.000 0.863 137 T HN 0.313 nan 8.240 nan 0.000 0.436 138 I N 0.446 121.025 120.570 0.015 0.000 3.226 138 I HA 0.515 4.685 4.170 -0.000 0.000 0.277 138 I C 1.649 177.794 176.117 0.046 0.000 1.243 138 I CA -0.161 61.169 61.300 0.050 0.000 1.459 138 I CB -0.880 37.144 38.000 0.040 0.000 1.093 138 I HN 0.221 nan 8.210 nan 0.000 0.453 139 A N 2.651 125.484 122.820 0.022 0.000 2.705 139 A HA -0.094 4.226 4.320 -0.000 0.000 0.295 139 A C 1.035 178.629 177.584 0.017 0.000 1.518 139 A CA 0.576 52.622 52.037 0.016 0.000 1.127 139 A CB -1.861 17.142 19.000 0.006 0.000 0.894 139 A HN 0.802 nan 8.150 nan 0.000 0.558 140 C N 3.143 122.456 119.300 0.022 0.000 2.638 140 C HA 0.339 4.799 4.460 -0.000 0.000 0.400 140 C C 0.290 175.285 174.990 0.009 0.000 1.421 140 C CA -0.920 58.106 59.018 0.015 0.000 1.492 140 C CB -1.306 26.442 27.740 0.014 0.000 2.372 140 C HN 0.721 nan 8.230 nan 0.000 0.618 141 E N 2.055 122.259 120.200 0.006 0.000 2.239 141 E HA 0.741 5.090 4.350 -0.000 0.000 0.261 141 E C -0.577 176.025 176.600 0.003 0.000 1.016 141 E CA -0.813 55.589 56.400 0.004 0.000 0.882 141 E CB 2.039 31.741 29.700 0.003 0.000 1.190 141 E HN 0.619 nan 8.360 nan 0.000 0.415 142 V N 1.055 120.970 119.914 0.002 0.000 5.601 142 V HA 0.025 4.145 4.120 -0.000 0.000 0.257 142 V C 0.068 176.163 176.094 0.001 0.000 1.008 142 V CA 0.010 62.310 62.300 0.002 0.000 1.564 142 V CB 0.622 32.446 31.823 0.001 0.000 0.152 142 V HN 0.844 nan 8.190 nan 0.000 0.436 143 G N 1.503 110.304 108.800 0.000 0.000 2.683 143 G HA2 0.525 4.485 3.960 -0.000 0.000 0.260 143 G HA3 0.525 4.485 3.960 -0.000 0.000 0.260 143 G C 1.110 176.010 174.900 -0.000 0.000 1.238 143 G CA 0.341 45.441 45.100 0.000 0.000 0.934 143 G HN 1.152 nan 8.290 nan 0.000 0.534 144 A N -0.503 122.316 122.820 -0.001 0.000 1.850 144 A HA 0.023 4.343 4.320 -0.000 0.000 0.212 144 A C 2.279 179.862 177.584 -0.002 0.000 1.208 144 A CA 1.731 53.768 52.037 -0.001 0.000 0.609 144 A CB -0.559 18.440 19.000 -0.001 0.000 0.860 144 A HN 0.746 nan 8.150 nan 0.000 0.448 145 Q N -0.144 119.655 119.800 -0.002 0.000 2.435 145 Q HA 0.010 4.350 4.340 -0.000 0.000 0.207 145 Q C -0.223 175.776 176.000 -0.002 0.000 0.956 145 Q CA 0.471 56.272 55.803 -0.002 0.000 0.917 145 Q CB -0.439 28.297 28.738 -0.003 0.000 0.997 145 Q HN 0.381 nan 8.270 nan 0.000 0.497 146 D N 1.670 122.069 120.400 -0.001 0.000 2.629 146 D HA -0.128 4.512 4.640 -0.000 0.000 0.228 146 D C 0.657 176.956 176.300 -0.001 0.000 1.127 146 D CA 0.489 54.488 54.000 -0.001 0.000 0.855 146 D CB 0.885 41.685 40.800 -0.001 0.000 1.180 146 D HN 0.240 nan 8.370 nan 0.000 0.484 147 K N 3.523 123.923 120.400 -0.001 0.000 2.284 147 K HA -0.083 4.237 4.320 -0.000 0.000 0.198 147 K C 1.327 177.927 176.600 -0.001 0.000 1.048 147 K CA 0.476 56.763 56.287 -0.001 0.000 0.987 147 K CB 0.145 32.644 32.500 -0.002 0.000 0.800 147 K HN 0.537 nan 8.250 nan 0.000 0.486 148 E N 1.967 122.167 120.200 -0.001 0.000 2.285 148 E HA -0.116 4.234 4.350 -0.000 0.000 0.194 148 E C 1.778 178.379 176.600 0.001 0.000 0.997 148 E CA 0.759 57.159 56.400 -0.000 0.000 0.845 148 E CB -0.167 29.533 29.700 -0.001 0.000 0.782 148 E HN 0.529 nan 8.360 nan 0.000 0.491 149 I N -2.303 118.268 120.570 0.001 0.000 3.603 149 I HA 0.049 4.219 4.170 -0.000 0.000 0.297 149 I C 1.774 177.893 176.117 0.002 0.000 1.269 149 I CA 0.129 61.430 61.300 0.002 0.000 1.361 149 I CB 0.041 38.042 38.000 0.002 0.000 1.063 149 I HN -0.092 nan 8.210 nan 0.000 0.448 150 L N 1.196 122.420 121.223 0.001 0.000 2.307 150 L HA 0.054 4.394 4.340 -0.000 0.000 0.211 150 L C 2.648 179.518 176.870 0.002 0.000 1.099 150 L CA 2.069 56.909 54.840 0.001 0.000 0.816 150 L CB -0.799 41.260 42.059 -0.001 0.000 0.952 150 L HN 0.555 nan 8.230 nan 0.000 0.455 151 T N -3.987 110.568 114.554 0.002 0.000 3.007 151 T HA -0.142 4.208 4.350 -0.000 0.000 0.270 151 T C 1.852 176.555 174.700 0.005 0.000 1.107 151 T CA 0.962 63.064 62.100 0.003 0.000 1.118 151 T CB -0.076 68.793 68.868 0.002 0.000 0.889 151 T HN 0.220 nan 8.240 nan 0.000 0.506 152 K N 0.430 120.833 120.400 0.005 0.000 2.005 152 K HA 0.141 4.461 4.320 -0.000 0.000 0.206 152 K C 1.945 178.551 176.600 0.010 0.000 1.044 152 K CA 0.953 57.245 56.287 0.008 0.000 0.942 152 K CB -0.099 32.406 32.500 0.008 0.000 0.727 152 K HN 0.249 nan 8.250 nan 0.000 0.439 153 I N 1.170 121.744 120.570 0.007 0.000 2.916 153 I HA -0.126 4.044 4.170 -0.000 0.000 0.267 153 I C 2.055 178.177 176.117 0.007 0.000 1.263 153 I CA 0.895 62.199 61.300 0.007 0.000 1.471 153 I CB -1.522 36.481 38.000 0.006 0.000 1.089 153 I HN 0.091 nan 8.210 nan 0.000 0.468 154 A N 1.245 124.069 122.820 0.006 0.000 1.924 154 A HA -0.062 4.258 4.320 -0.000 0.000 0.211 154 A C 2.365 179.955 177.584 0.009 0.000 1.198 154 A CA 0.839 52.880 52.037 0.006 0.000 0.657 154 A CB -0.409 18.592 19.000 0.003 0.000 0.852 154 A HN 0.425 nan 8.150 nan 0.000 0.454 155 M N -1.036 118.571 119.600 0.011 0.000 2.144 155 M HA -0.144 4.336 4.480 -0.000 0.000 0.260 155 M C 1.628 177.941 176.300 0.021 0.000 1.067 155 M CA 2.500 57.809 55.300 0.015 0.000 1.095 155 M CB -1.048 31.561 32.600 0.015 0.000 1.365 155 M HN 0.137 nan 8.290 nan 0.000 0.406 156 T N 0.106 114.672 114.554 0.019 0.000 3.055 156 T HA -0.003 4.347 4.350 -0.000 0.000 0.265 156 T C 1.855 176.565 174.700 0.017 0.000 1.111 156 T CA 1.373 63.486 62.100 0.020 0.000 1.118 156 T CB -0.111 68.769 68.868 0.020 0.000 0.909 156 T HN 0.570 nan 8.240 nan 0.000 0.501 157 S N 0.805 116.513 115.700 0.014 0.000 2.470 157 S HA 0.131 4.601 4.470 -0.000 0.000 0.225 157 S C 1.199 175.808 174.600 0.014 0.000 1.006 157 S CA 0.196 58.403 58.200 0.012 0.000 0.934 157 S CB -0.134 63.071 63.200 0.008 0.000 0.778 157 S HN 0.568 nan 8.310 nan 0.000 0.517 158 I N 2.116 122.696 120.570 0.016 0.000 3.801 158 I HA 0.256 4.426 4.170 -0.000 0.000 0.338 158 I C 0.280 176.414 176.117 0.027 0.000 1.513 158 I CA -0.361 60.951 61.300 0.020 0.000 1.197 158 I CB -0.082 37.928 38.000 0.017 0.000 1.300 158 I HN 0.057 nan 8.210 nan 0.000 0.433 159 T N -1.267 113.305 114.554 0.030 0.000 2.779 159 T HA 0.647 4.997 4.350 -0.000 0.000 0.280 159 T C 0.713 175.433 174.700 0.033 0.000 0.987 159 T CA 0.074 62.199 62.100 0.041 0.000 0.966 159 T CB 1.539 70.438 68.868 0.052 0.000 0.933 159 T HN 0.675 nan 8.240 nan 0.000 0.442 160 G N 2.524 111.348 108.800 0.041 0.000 2.167 160 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.194 160 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.194 160 G C -0.285 174.630 174.900 0.026 0.000 1.027 160 G CA -0.002 45.116 45.100 0.030 0.000 0.717 160 G HN 0.941 nan 8.290 nan 0.000 0.501 161 K N -1.878 118.540 120.400 0.030 0.000 2.533 161 K HA 0.611 4.931 4.320 -0.000 0.000 0.284 161 K C 1.127 177.744 176.600 0.027 0.000 1.025 161 K CA -0.555 55.748 56.287 0.027 0.000 0.900 161 K CB 0.874 33.390 32.500 0.026 0.000 1.519 161 K HN 0.363 nan 8.250 nan 0.000 0.432 162 G N 0.121 108.937 108.800 0.026 0.000 3.028 162 G HA2 0.273 4.233 3.960 -0.000 0.000 0.205 162 G HA3 0.273 4.233 3.960 -0.000 0.000 0.205 162 G C 0.329 175.243 174.900 0.023 0.000 1.182 162 G CA 0.729 45.842 45.100 0.021 0.000 0.860 162 G HN 0.583 nan 8.290 nan 0.000 0.507 163 A N -0.290 122.545 122.820 0.025 0.000 2.112 163 A HA 0.196 4.516 4.320 -0.000 0.000 0.228 163 A C 0.805 178.402 177.584 0.022 0.000 2.862 163 A CA 0.602 52.652 52.037 0.022 0.000 1.932 163 A CB -1.278 17.735 19.000 0.023 0.000 0.252 163 A HN 0.333 nan 8.150 nan 0.000 0.821 164 E N 1.035 121.252 120.200 0.028 0.000 2.396 164 E HA -0.350 4.000 4.350 -0.000 0.000 0.209 164 E C 1.667 178.280 176.600 0.020 0.000 1.056 164 E CA 1.949 58.367 56.400 0.030 0.000 0.851 164 E CB -0.058 29.671 29.700 0.049 0.000 0.754 164 E HN 0.574 nan 8.360 nan 0.000 0.504 165 K N 0.640 121.049 120.400 0.015 0.000 1.969 165 K HA -0.167 4.153 4.320 -0.000 0.000 0.223 165 K C 2.125 178.727 176.600 0.003 0.000 1.048 165 K CA 1.563 57.853 56.287 0.006 0.000 0.983 165 K CB -1.321 31.184 32.500 0.007 0.000 0.738 165 K HN 0.270 nan 8.250 nan 0.000 0.446 166 A N 2.333 125.158 122.820 0.007 0.000 2.285 166 A HA -0.203 4.117 4.320 -0.000 0.000 0.214 166 A C 1.933 179.521 177.584 0.007 0.000 1.188 166 A CA 1.862 53.904 52.037 0.007 0.000 0.707 166 A CB -0.775 18.228 19.000 0.004 0.000 0.771 166 A HN 0.571 nan 8.150 nan 0.000 0.488 167 K N -0.340 120.064 120.400 0.007 0.000 2.217 167 K HA -0.068 4.252 4.320 -0.000 0.000 0.202 167 K C 1.690 178.293 176.600 0.006 0.000 1.051 167 K CA 1.240 57.533 56.287 0.009 0.000 0.952 167 K CB -0.150 32.358 32.500 0.013 0.000 0.736 167 K HN 0.528 nan 8.250 nan 0.000 0.453 168 E N 1.148 121.349 120.200 0.002 0.000 2.028 168 E HA -0.191 4.159 4.350 -0.000 0.000 0.191 168 E C 1.771 178.372 176.600 0.001 0.000 0.988 168 E CA 1.186 57.586 56.400 0.000 0.000 0.799 168 E CB 0.167 29.865 29.700 -0.003 0.000 0.755 168 E HN 0.138 nan 8.360 nan 0.000 0.447 169 K N 0.032 120.434 120.400 0.002 0.000 2.186 169 K HA -0.024 4.296 4.320 -0.000 0.000 0.202 169 K C 1.868 178.470 176.600 0.004 0.000 1.052 169 K CA 0.348 56.637 56.287 0.003 0.000 0.965 169 K CB -0.127 32.376 32.500 0.004 0.000 0.746 169 K HN 0.043 nan 8.250 nan 0.000 0.457 170 L N 0.417 121.643 121.223 0.005 0.000 2.129 170 L HA -0.103 4.237 4.340 -0.000 0.000 0.212 170 L C 2.068 178.940 176.870 0.004 0.000 1.087 170 L CA 2.061 56.904 54.840 0.005 0.000 0.757 170 L CB -1.319 40.744 42.059 0.007 0.000 0.896 170 L HN 0.198 nan 8.230 nan 0.000 0.434 171 A N -1.694 121.128 122.820 0.004 0.000 2.095 171 A HA -0.045 4.275 4.320 -0.000 0.000 0.212 171 A C 2.294 179.879 177.584 0.001 0.000 1.162 171 A CA 0.605 52.644 52.037 0.003 0.000 0.753 171 A CB -0.147 18.855 19.000 0.004 0.000 0.840 171 A HN 0.412 nan 8.150 nan 0.000 0.468 172 E N 0.953 121.153 120.200 0.001 0.000 2.030 172 E HA -0.109 4.241 4.350 -0.000 0.000 0.189 172 E C 1.964 178.564 176.600 -0.000 0.000 0.974 172 E CA 1.394 57.794 56.400 0.001 0.000 0.807 172 E CB -0.292 29.408 29.700 0.000 0.000 0.771 172 E HN 0.614 nan 8.360 nan 0.000 0.451 173 I N 0.956 121.526 120.570 0.000 0.000 2.676 173 I HA -0.123 4.047 4.170 -0.000 0.000 0.259 173 I C 2.494 178.608 176.117 -0.004 0.000 1.194 173 I CA 0.698 61.998 61.300 -0.001 0.000 1.473 173 I CB -0.846 37.155 38.000 0.002 0.000 1.096 173 I HN 0.164 nan 8.210 nan 0.000 0.443 174 I N 0.660 121.228 120.570 -0.004 0.000 2.072 174 I HA -0.166 4.004 4.170 -0.000 0.000 0.235 174 I C 2.512 178.624 176.117 -0.007 0.000 1.058 174 I CA 1.574 62.870 61.300 -0.006 0.000 1.320 174 I CB -1.295 36.703 38.000 -0.004 0.000 1.047 174 I HN 0.018 nan 8.210 nan 0.000 0.397 175 V N 1.494 121.405 119.914 -0.005 0.000 2.252 175 V HA -0.357 3.763 4.120 -0.000 0.000 0.255 175 V C 2.707 178.797 176.094 -0.007 0.000 1.071 175 V CA 2.691 64.988 62.300 -0.005 0.000 1.050 175 V CB -1.185 30.636 31.823 -0.003 0.000 0.654 175 V HN 0.510 nan 8.190 nan 0.000 0.448 176 E N -0.281 119.915 120.200 -0.007 0.000 2.150 176 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 176 E C 2.233 178.826 176.600 -0.013 0.000 0.985 176 E CA 1.149 57.544 56.400 -0.008 0.000 0.814 176 E CB -0.233 29.464 29.700 -0.006 0.000 0.752 176 E HN 0.644 nan 8.360 nan 0.000 0.466 177 A N 0.614 123.426 122.820 -0.014 0.000 2.067 177 A HA -0.037 4.283 4.320 -0.000 0.000 0.217 177 A C 2.172 179.743 177.584 -0.023 0.000 1.156 177 A CA 0.811 52.836 52.037 -0.019 0.000 0.683 177 A CB 0.034 19.023 19.000 -0.019 0.000 0.808 177 A HN 0.222 nan 8.150 nan 0.000 0.455 178 V N -1.521 118.382 119.914 -0.018 0.000 3.085 178 V HA -0.004 4.116 4.120 -0.000 0.000 0.245 178 V C 1.995 178.078 176.094 -0.018 0.000 1.114 178 V CA 2.046 64.335 62.300 -0.018 0.000 1.108 178 V CB -0.144 31.669 31.823 -0.016 0.000 0.798 178 V HN 0.370 nan 8.190 nan 0.000 0.471 179 S N 1.194 116.885 115.700 -0.015 0.000 2.465 179 S HA -0.047 4.423 4.470 -0.000 0.000 0.241 179 S C 2.025 176.614 174.600 -0.018 0.000 1.000 179 S CA 1.406 59.598 58.200 -0.014 0.000 0.964 179 S CB -0.427 62.767 63.200 -0.010 0.000 0.763 179 S HN 0.884 nan 8.310 nan 0.000 0.512 180 A N 0.839 123.645 122.820 -0.024 0.000 2.066 180 A HA 0.056 4.376 4.320 -0.000 0.000 0.218 180 A C 2.258 179.812 177.584 -0.049 0.000 1.157 180 A CA 1.292 53.309 52.037 -0.035 0.000 0.670 180 A CB -0.450 18.529 19.000 -0.035 0.000 0.804 180 A HN 0.525 nan 8.150 nan 0.000 0.453 181 V N -3.668 116.220 119.914 -0.042 0.000 2.788 181 V HA 0.204 4.324 4.120 -0.000 0.000 0.241 181 V C 1.325 177.398 176.094 -0.035 0.000 1.083 181 V CA 0.591 62.864 62.300 -0.045 0.000 1.103 181 V CB -0.575 31.227 31.823 -0.035 0.000 0.800 181 V HN 0.128 nan 8.190 nan 0.000 0.476 182 V N 4.852 124.751 119.914 -0.025 0.000 2.356 182 V HA 0.131 4.251 4.120 -0.000 0.000 0.244 182 V C 0.152 176.238 176.094 -0.012 0.000 1.120 182 V CA 0.134 62.424 62.300 -0.016 0.000 1.181 182 V CB -1.484 30.331 31.823 -0.012 0.000 1.244 182 V HN 0.957 nan 8.190 nan 0.000 0.487 183 D N 3.837 124.232 120.400 -0.009 0.000 2.450 183 D HA 0.093 4.733 4.640 -0.000 0.000 0.247 183 D C 0.474 176.775 176.300 0.001 0.000 1.162 183 D CA 0.190 54.190 54.000 0.000 0.000 0.879 183 D CB 0.535 41.340 40.800 0.008 0.000 1.163 183 D HN 0.584 nan 8.370 nan 0.000 0.472 184 D N 1.290 121.692 120.400 0.003 0.000 3.017 184 D HA -0.239 4.401 4.640 -0.000 0.000 0.220 184 D C -0.613 175.687 176.300 0.001 0.000 1.141 184 D CA 0.866 54.868 54.000 0.003 0.000 0.848 184 D CB -1.316 39.486 40.800 0.004 0.000 1.102 184 D HN 0.783 nan 8.370 nan 0.000 0.427 185 E N -0.415 119.785 120.200 -0.000 0.000 0.885 185 E HA -0.097 4.253 4.350 -0.000 0.000 0.251 185 E C 0.587 177.186 176.600 -0.001 0.000 0.717 185 E CA 1.340 57.740 56.400 -0.001 0.000 0.816 185 E CB -1.139 28.561 29.700 -0.001 0.000 0.900 185 E HN 0.682 nan 8.360 nan 0.000 0.281 186 G N 2.171 110.970 108.800 -0.002 0.000 3.231 186 G HA2 0.104 4.064 3.960 -0.000 0.000 0.232 186 G HA3 0.104 4.064 3.960 -0.000 0.000 0.232 186 G C -0.686 174.212 174.900 -0.002 0.000 2.928 186 G CA -0.170 44.929 45.100 -0.002 0.000 0.879 186 G HN 0.367 nan 8.290 nan 0.000 0.424 187 K N -0.719 119.679 120.400 -0.003 0.000 2.703 187 K HA 0.601 4.921 4.320 -0.000 0.000 0.285 187 K C -0.630 175.967 176.600 -0.005 0.000 1.014 187 K CA -0.298 55.987 56.287 -0.003 0.000 0.858 187 K CB 1.494 33.992 32.500 -0.002 0.000 1.467 187 K HN 0.632 nan 8.250 nan 0.000 0.383 188 V N 0.380 120.290 119.914 -0.007 0.000 5.065 188 V HA 0.244 4.364 4.120 -0.000 0.000 0.803 188 V C -1.155 174.933 176.094 -0.010 0.000 2.303 188 V CA -0.728 61.568 62.300 -0.008 0.000 3.820 188 V CB 0.856 32.673 31.823 -0.009 0.000 0.818 188 V HN 0.673 nan 8.190 nan 0.000 0.654 189 D N 2.520 122.913 120.400 -0.012 0.000 2.232 189 D HA 0.478 5.118 4.640 -0.000 0.000 0.242 189 D C 0.855 177.146 176.300 -0.015 0.000 1.093 189 D CA -0.316 53.677 54.000 -0.012 0.000 0.845 189 D CB 1.906 42.699 40.800 -0.012 0.000 1.124 189 D HN 0.560 nan 8.370 nan 0.000 0.467 190 K N 0.975 121.366 120.400 -0.014 0.000 2.414 190 K HA 0.214 4.534 4.320 -0.000 0.000 0.204 190 K C 0.154 176.743 176.600 -0.019 0.000 1.026 190 K CA -0.363 55.915 56.287 -0.016 0.000 1.108 190 K CB 1.105 33.597 32.500 -0.013 0.000 0.855 190 K HN 0.020 nan 8.250 nan 0.000 0.517 191 D N 1.018 121.406 120.400 -0.020 0.000 2.354 191 D HA 0.088 4.728 4.640 -0.000 0.000 0.209 191 D C 1.313 177.596 176.300 -0.029 0.000 1.015 191 D CA 0.321 54.307 54.000 -0.023 0.000 0.867 191 D CB 0.397 41.185 40.800 -0.019 0.000 0.933 191 D HN 0.180 nan 8.370 nan 0.000 0.520 192 L N 0.586 121.792 121.223 -0.029 0.000 2.492 192 L HA 0.128 4.468 4.340 -0.000 0.000 0.223 192 L C 0.740 177.586 176.870 -0.039 0.000 1.132 192 L CA 0.515 55.334 54.840 -0.036 0.000 0.850 192 L CB 0.106 42.143 42.059 -0.036 0.000 0.966 192 L HN -0.045 nan 8.230 nan 0.000 0.454 193 I N 0.328 120.877 120.570 -0.035 0.000 2.243 193 I HA 0.129 4.299 4.170 -0.000 0.000 0.289 193 I C 0.504 176.598 176.117 -0.039 0.000 1.140 193 I CA -0.247 61.032 61.300 -0.036 0.000 1.289 193 I CB -0.015 37.967 38.000 -0.030 0.000 1.498 193 I HN 0.036 nan 8.210 nan 0.000 0.561 194 K N 4.810 125.181 120.400 -0.047 0.000 2.319 194 K HA 0.278 4.598 4.320 -0.000 0.000 0.265 194 K C -0.266 176.303 176.600 -0.052 0.000 1.000 194 K CA -0.283 55.972 56.287 -0.054 0.000 0.943 194 K CB 0.815 33.274 32.500 -0.069 0.000 0.950 194 K HN 0.581 nan 8.250 nan 0.000 0.485 195 I N 0.874 121.414 120.570 -0.051 0.000 2.750 195 I HA 0.307 4.477 4.170 -0.000 0.000 0.279 195 I C -0.747 175.339 176.117 -0.051 0.000 1.206 195 I CA -0.881 60.393 61.300 -0.044 0.000 1.101 195 I CB 0.983 38.964 38.000 -0.032 0.000 1.431 195 I HN 0.385 nan 8.210 nan 0.000 0.551 196 E N 4.123 124.285 120.200 -0.064 0.000 2.354 196 E HA 0.458 4.807 4.350 -0.000 0.000 0.269 196 E C -0.645 175.926 176.600 -0.049 0.000 1.036 196 E CA -0.173 56.183 56.400 -0.074 0.000 0.876 196 E CB 0.839 30.467 29.700 -0.119 0.000 1.009 196 E HN 0.476 nan 8.360 nan 0.000 0.416 197 K N 4.214 124.589 120.400 -0.041 0.000 2.621 197 K HA 0.425 4.745 4.320 -0.000 0.000 0.233 197 K C -0.776 175.817 176.600 -0.012 0.000 0.972 197 K CA -0.973 55.300 56.287 -0.023 0.000 0.988 197 K CB 1.257 33.741 32.500 -0.027 0.000 1.187 197 K HN 0.137 nan 8.250 nan 0.000 0.471 198 K N 1.422 121.824 120.400 0.003 0.000 2.427 198 K HA 0.262 4.582 4.320 -0.000 0.000 0.252 198 K C -0.511 176.103 176.600 0.023 0.000 0.931 198 K CA -0.680 55.617 56.287 0.017 0.000 0.793 198 K CB 2.167 34.687 32.500 0.033 0.000 1.211 198 K HN 0.672 nan 8.250 nan 0.000 0.426 199 S N 0.549 116.263 115.700 0.023 0.000 3.332 199 S HA 0.201 4.671 4.470 -0.000 0.000 0.395 199 S C 0.714 175.332 174.600 0.030 0.000 1.180 199 S CA 0.439 58.655 58.200 0.026 0.000 0.985 199 S CB -0.495 62.721 63.200 0.026 0.000 0.694 199 S HN 0.867 nan 8.310 nan 0.000 0.502 200 G N 0.977 109.794 108.800 0.028 0.000 2.881 200 G HA2 0.538 4.498 3.960 -0.000 0.000 0.597 200 G HA3 0.538 4.498 3.960 -0.000 0.000 0.597 200 G C -0.331 174.584 174.900 0.025 0.000 1.188 200 G CA -0.306 44.809 45.100 0.026 0.000 1.218 200 G HN 1.935 nan 8.290 nan 0.000 0.544 201 A N 0.035 122.867 122.820 0.020 0.000 3.416 201 A HA 0.976 5.296 4.320 -0.000 0.000 0.251 201 A C 0.038 177.631 177.584 0.015 0.000 0.996 201 A CA 0.778 52.826 52.037 0.018 0.000 0.543 201 A CB -0.265 18.745 19.000 0.018 0.000 1.711 201 A HN 2.312 nan 8.150 nan 0.000 0.848 202 S N -2.055 113.653 115.700 0.014 0.000 3.132 202 S HA 0.637 5.107 4.470 -0.000 0.000 0.322 202 S C 1.360 175.968 174.600 0.012 0.000 1.124 202 S CA -0.025 58.182 58.200 0.012 0.000 0.906 202 S CB 0.218 63.423 63.200 0.009 0.000 1.349 202 S HN 1.151 nan 8.310 nan 0.000 0.686 203 I N 1.313 121.889 120.570 0.010 0.000 2.145 203 I HA -0.121 4.049 4.170 -0.000 0.000 0.244 203 I C 1.133 177.256 176.117 0.010 0.000 1.075 203 I CA 2.468 63.773 61.300 0.009 0.000 1.332 203 I CB -1.609 36.395 38.000 0.006 0.000 1.033 203 I HN 0.891 nan 8.210 nan 0.000 0.410 204 D N -0.460 119.945 120.400 0.009 0.000 5.160 204 D HA -0.260 4.380 4.640 -0.000 0.000 0.155 204 D C 0.759 177.066 176.300 0.011 0.000 0.820 204 D CA 0.304 54.310 54.000 0.009 0.000 0.950 204 D CB -1.153 39.650 40.800 0.005 0.000 0.871 204 D HN 0.233 nan 8.370 nan 0.000 0.598 205 D N 0.689 121.097 120.400 0.014 0.000 2.466 205 D HA -0.174 4.466 4.640 -0.000 0.000 0.212 205 D C 0.502 176.816 176.300 0.023 0.000 0.987 205 D CA 1.902 55.914 54.000 0.019 0.000 1.008 205 D CB -0.739 40.072 40.800 0.019 0.000 0.845 205 D HN 0.716 nan 8.370 nan 0.000 0.483 206 T N -1.912 112.654 114.554 0.020 0.000 2.856 206 T HA 0.386 4.736 4.350 -0.000 0.000 0.292 206 T C -0.164 174.548 174.700 0.020 0.000 0.980 206 T CA -0.810 61.303 62.100 0.021 0.000 1.091 206 T CB 1.545 70.421 68.868 0.015 0.000 0.936 206 T HN 0.488 nan 8.240 nan 0.000 0.503 207 E N 2.388 122.603 120.200 0.025 0.000 2.290 207 E HA 0.465 4.815 4.350 -0.000 0.000 0.274 207 E C -1.575 175.041 176.600 0.027 0.000 0.889 207 E CA -1.164 55.254 56.400 0.031 0.000 0.760 207 E CB 1.493 31.224 29.700 0.051 0.000 1.206 207 E HN 0.496 nan 8.360 nan 0.000 0.419 208 L N 5.573 126.808 121.223 0.020 0.000 2.315 208 L HA 0.349 4.689 4.340 -0.000 0.000 0.278 208 L C -0.458 176.423 176.870 0.019 0.000 1.088 208 L CA -0.549 54.297 54.840 0.010 0.000 0.899 208 L CB 0.450 42.510 42.059 0.002 0.000 1.277 208 L HN 0.643 nan 8.230 nan 0.000 0.431 209 I N 2.564 123.150 120.570 0.025 0.000 2.389 209 I HA 0.164 4.334 4.170 -0.000 0.000 0.295 209 I C 0.953 177.077 176.117 0.011 0.000 1.117 209 I CA -0.564 60.760 61.300 0.040 0.000 1.317 209 I CB 0.250 38.292 38.000 0.070 0.000 1.431 209 I HN 0.700 nan 8.210 nan 0.000 0.521 210 K N 4.554 124.959 120.400 0.009 0.000 3.571 210 K HA 0.038 4.358 4.320 -0.000 0.000 0.223 210 K C 0.316 176.910 176.600 -0.010 0.000 0.445 210 K CA 0.501 56.785 56.287 -0.005 0.000 0.831 210 K CB -1.359 31.129 32.500 -0.020 0.000 0.748 210 K HN 0.926 nan 8.250 nan 0.000 0.395 211 G N -0.574 108.214 108.800 -0.020 0.000 2.870 211 G HA2 0.541 4.501 3.960 -0.000 0.000 0.299 211 G HA3 0.541 4.501 3.960 -0.000 0.000 0.299 211 G C -1.614 173.253 174.900 -0.055 0.000 1.324 211 G CA -0.748 44.339 45.100 -0.022 0.000 0.808 211 G HN 0.058 nan 8.290 nan 0.000 0.535 212 V N 0.355 120.222 119.914 -0.078 0.000 2.623 212 V HA 0.488 4.608 4.120 -0.000 0.000 0.304 212 V C -0.794 175.192 176.094 -0.180 0.000 1.054 212 V CA -0.549 61.672 62.300 -0.132 0.000 0.882 212 V CB 1.751 33.482 31.823 -0.153 0.000 1.002 212 V HN 0.641 nan 8.190 nan 0.000 0.424 213 L N 6.327 127.413 121.223 -0.228 0.000 2.265 213 L HA 0.653 4.993 4.340 -0.000 0.000 0.289 213 L C 0.141 176.866 176.870 -0.242 0.000 1.033 213 L CA -0.364 54.278 54.840 -0.329 0.000 0.814 213 L CB 1.540 43.289 42.059 -0.517 0.000 1.203 213 L HN 0.692 nan 8.230 nan 0.000 0.423 214 V N 1.292 121.089 119.914 -0.195 0.000 3.553 214 V HA 0.439 4.559 4.120 -0.000 0.000 0.287 214 V C 0.099 176.152 176.094 -0.069 0.000 1.111 214 V CA -0.403 61.822 62.300 -0.125 0.000 0.950 214 V CB 1.403 33.145 31.823 -0.135 0.000 1.243 214 V HN 0.752 nan 8.190 nan 0.000 0.443 215 D N -1.058 119.331 120.400 -0.020 0.000 2.535 215 D HA 0.379 5.019 4.640 -0.000 0.000 0.229 215 D C -0.018 176.307 176.300 0.041 0.000 1.238 215 D CA 0.019 54.021 54.000 0.003 0.000 0.824 215 D CB 0.576 41.370 40.800 -0.011 0.000 1.045 215 D HN 0.595 nan 8.370 nan 0.000 0.500 216 K N -0.592 119.858 120.400 0.084 0.000 2.454 216 K HA 0.263 4.583 4.320 -0.000 0.000 0.279 216 K C -0.049 176.626 176.600 0.125 0.000 1.020 216 K CA -0.715 55.629 56.287 0.095 0.000 0.850 216 K CB 2.015 34.562 32.500 0.079 0.000 1.529 216 K HN -0.201 nan 8.250 nan 0.000 0.390 217 E N 1.047 121.295 120.200 0.081 0.000 4.145 217 E HA 0.304 4.654 4.350 -0.000 0.000 0.483 217 E C -0.448 176.174 176.600 0.036 0.000 0.739 217 E CA -0.456 55.974 56.400 0.051 0.000 2.968 217 E CB 0.459 30.180 29.700 0.034 0.000 2.129 217 E HN 0.147 nan 8.360 nan 0.000 0.614 218 R N 0.542 121.053 120.500 0.017 0.000 2.575 218 R HA 0.214 4.554 4.340 -0.000 0.000 0.293 218 R C 0.657 176.950 176.300 -0.011 0.000 0.983 218 R CA -0.275 55.819 56.100 -0.010 0.000 0.887 218 R CB 1.930 32.222 30.300 -0.013 0.000 1.184 218 R HN 0.240 nan 8.270 nan 0.000 0.445 219 V N 1.662 121.561 119.914 -0.024 0.000 2.255 219 V HA -0.167 3.953 4.120 -0.000 0.000 0.247 219 V C 0.844 176.936 176.094 -0.004 0.000 1.051 219 V CA 2.001 64.292 62.300 -0.015 0.000 1.018 219 V CB 0.186 31.995 31.823 -0.023 0.000 0.641 219 V HN 0.713 nan 8.190 nan 0.000 0.445 220 S N -2.023 113.673 115.700 -0.006 0.000 2.565 220 S HA 0.622 5.092 4.470 -0.000 0.000 0.290 220 S C 0.661 175.264 174.600 0.005 0.000 1.150 220 S CA -0.167 58.036 58.200 0.005 0.000 1.058 220 S CB 1.734 64.934 63.200 0.001 0.000 1.032 220 S HN 0.493 nan 8.310 nan 0.000 0.510 221 A N 2.859 125.689 122.820 0.017 0.000 2.147 221 A HA 0.155 4.475 4.320 -0.000 0.000 0.211 221 A C 1.819 179.408 177.584 0.008 0.000 1.160 221 A CA 0.300 52.343 52.037 0.011 0.000 0.781 221 A CB -0.446 18.563 19.000 0.016 0.000 0.842 221 A HN 0.701 nan 8.150 nan 0.000 0.475 222 Q N 0.159 119.965 119.800 0.011 0.000 2.170 222 Q HA -0.007 4.333 4.340 -0.000 0.000 0.203 222 Q C 0.718 176.706 176.000 -0.021 0.000 0.976 222 Q CA 0.768 56.569 55.803 -0.004 0.000 0.858 222 Q CB -0.673 28.056 28.738 -0.015 0.000 0.907 222 Q HN 0.724 nan 8.270 nan 0.000 0.433 223 M N 3.035 122.620 119.600 -0.025 0.000 2.261 223 M HA -0.007 4.473 4.480 -0.000 0.000 0.350 223 M C -1.809 174.478 176.300 -0.021 0.000 1.343 223 M CA -0.668 54.614 55.300 -0.030 0.000 1.003 223 M CB -0.246 32.332 32.600 -0.037 0.000 1.848 223 M HN 0.005 nan 8.290 nan 0.000 0.456 224 P HA -0.214 nan 4.420 nan 0.000 0.041 224 P C -0.523 176.769 177.300 -0.014 0.000 0.582 224 P CA 0.750 63.839 63.100 -0.018 0.000 1.046 224 P CB -0.132 31.559 31.700 -0.016 0.000 1.851 225 K N 1.726 122.121 120.400 -0.008 0.000 2.589 225 K HA 0.148 4.468 4.320 -0.000 0.000 0.204 225 K C 0.746 177.346 176.600 0.000 0.000 1.029 225 K CA 0.205 56.491 56.287 -0.002 0.000 1.177 225 K CB 0.022 32.522 32.500 -0.000 0.000 0.902 225 K HN 0.464 nan 8.250 nan 0.000 0.501 226 K N -0.159 120.241 120.400 -0.000 0.000 2.385 226 K HA 0.078 4.397 4.320 -0.000 0.000 0.341 226 K C -1.532 175.070 176.600 0.002 0.000 1.328 226 K CA -0.105 56.183 56.287 0.002 0.000 1.154 226 K CB 0.640 33.137 32.500 -0.005 0.000 1.409 226 K HN -0.202 nan 8.250 nan 0.000 0.464 227 V N 2.074 121.995 119.914 0.010 0.000 2.630 227 V HA 0.386 4.506 4.120 -0.000 0.000 0.305 227 V C 1.431 177.535 176.094 0.017 0.000 1.046 227 V CA -0.583 61.723 62.300 0.011 0.000 0.934 227 V CB 1.481 33.308 31.823 0.007 0.000 1.003 227 V HN 0.924 nan 8.190 nan 0.000 0.451 228 T N 0.546 115.107 114.554 0.012 0.000 2.995 228 T HA -0.003 4.347 4.350 -0.000 0.000 0.216 228 T C 0.187 174.898 174.700 0.019 0.000 1.000 228 T CA 0.379 62.487 62.100 0.013 0.000 2.118 228 T CB -0.156 68.716 68.868 0.007 0.000 1.401 228 T HN 0.626 nan 8.240 nan 0.000 0.389 229 D N 2.402 122.813 120.400 0.018 0.000 2.339 229 D HA 0.601 5.241 4.640 -0.000 0.000 0.241 229 D C -0.615 175.699 176.300 0.023 0.000 1.183 229 D CA -0.007 54.006 54.000 0.022 0.000 0.859 229 D CB 1.062 41.874 40.800 0.020 0.000 1.067 229 D HN 0.648 nan 8.370 nan 0.000 0.484 230 A N 2.666 125.505 122.820 0.033 0.000 2.342 230 A HA 0.523 4.843 4.320 -0.000 0.000 0.323 230 A C -0.261 177.350 177.584 0.044 0.000 1.125 230 A CA -0.842 51.217 52.037 0.036 0.000 0.785 230 A CB 1.020 20.047 19.000 0.046 0.000 1.221 230 A HN 0.172 nan 8.150 nan 0.000 0.463 231 K N 2.444 122.866 120.400 0.037 0.000 2.385 231 K HA 0.437 4.757 4.320 -0.000 0.000 0.229 231 K C -0.636 175.997 176.600 0.054 0.000 1.089 231 K CA -0.195 56.116 56.287 0.041 0.000 1.060 231 K CB -0.256 32.260 32.500 0.027 0.000 1.698 231 K HN 0.594 nan 8.250 nan 0.000 0.469 232 I N 1.477 122.101 120.570 0.090 0.000 2.993 232 I HA 0.123 4.293 4.170 -0.000 0.000 0.286 232 I C 0.449 176.633 176.117 0.111 0.000 1.215 232 I CA 0.231 61.612 61.300 0.135 0.000 1.393 232 I CB 0.643 38.787 38.000 0.239 0.000 1.371 232 I HN 0.507 nan 8.210 nan 0.000 0.602 233 A N 6.478 129.369 122.820 0.119 0.000 2.353 233 A HA 0.725 5.045 4.320 -0.000 0.000 0.299 233 A C -0.908 176.755 177.584 0.131 0.000 1.089 233 A CA -0.642 51.449 52.037 0.090 0.000 0.736 233 A CB 0.564 19.594 19.000 0.050 0.000 1.195 233 A HN 0.585 nan 8.150 nan 0.000 0.447 234 L N 3.501 124.791 121.223 0.111 0.000 2.283 234 L HA 0.426 4.766 4.340 -0.000 0.000 0.287 234 L C -0.210 176.705 176.870 0.075 0.000 1.073 234 L CA -0.097 54.809 54.840 0.109 0.000 0.822 234 L CB 0.713 42.819 42.059 0.078 0.000 1.186 234 L HN 0.651 nan 8.230 nan 0.000 0.436 235 L N 4.764 126.036 121.223 0.082 0.000 2.345 235 L HA 0.322 4.662 4.340 -0.000 0.000 0.274 235 L C 0.262 177.164 176.870 0.052 0.000 0.999 235 L CA -0.371 54.502 54.840 0.056 0.000 0.849 235 L CB 1.461 43.548 42.059 0.047 0.000 1.220 235 L HN 0.688 nan 8.230 nan 0.000 0.422 236 N N 2.936 121.659 118.700 0.039 0.000 2.387 236 N HA -0.037 4.703 4.740 -0.000 0.000 0.176 236 N C 0.461 175.988 175.510 0.029 0.000 1.022 236 N CA 0.328 53.398 53.050 0.034 0.000 0.883 236 N CB -0.262 38.240 38.487 0.025 0.000 1.019 236 N HN 0.552 nan 8.380 nan 0.000 0.435 237 C N 2.236 121.551 119.300 0.025 0.000 2.012 237 C HA 0.192 4.652 4.460 -0.000 0.000 0.398 237 C C 1.123 176.127 174.990 0.024 0.000 1.533 237 C CA -0.064 58.967 59.018 0.022 0.000 1.483 237 C CB -2.095 25.656 27.740 0.018 0.000 2.626 237 C HN 0.690 nan 8.230 nan 0.000 0.572 238 A N 3.853 126.686 122.820 0.021 0.000 1.568 238 A HA -0.207 4.113 4.320 -0.000 0.000 0.305 238 A C 0.488 178.084 177.584 0.021 0.000 1.089 238 A CA 0.928 52.977 52.037 0.020 0.000 1.307 238 A CB -0.575 18.435 19.000 0.017 0.000 0.871 238 A HN 1.009 nan 8.150 nan 0.000 0.211 239 I N 1.202 121.786 120.570 0.023 0.000 3.874 239 I HA 0.108 4.278 4.170 -0.000 0.000 0.331 239 I C 0.761 176.895 176.117 0.028 0.000 1.489 239 I CA -0.034 61.282 61.300 0.026 0.000 1.187 239 I CB -0.131 37.886 38.000 0.028 0.000 1.150 239 I HN 0.695 nan 8.210 nan 0.000 0.412 240 E N 1.354 121.568 120.200 0.023 0.000 2.229 240 E HA 0.408 4.758 4.350 -0.000 0.000 0.283 240 E C -0.692 175.921 176.600 0.022 0.000 1.030 240 E CA -0.469 55.944 56.400 0.021 0.000 0.836 240 E CB 0.940 30.650 29.700 0.017 0.000 1.068 240 E HN 0.059 nan 8.360 nan 0.000 0.401 241 E N 2.454 122.668 120.200 0.024 0.000 2.307 241 E HA 0.137 4.487 4.350 -0.000 0.000 0.280 241 E C -1.118 175.495 176.600 0.023 0.000 0.900 241 E CA -0.666 55.748 56.400 0.023 0.000 0.790 241 E CB 2.112 31.829 29.700 0.029 0.000 1.261 241 E HN 0.445 nan 8.360 nan 0.000 0.405 242 T N 2.073 116.638 114.554 0.018 0.000 2.704 242 T HA 0.104 4.454 4.350 -0.000 0.000 0.271 242 T C 0.634 175.346 174.700 0.020 0.000 1.000 242 T CA 0.612 62.721 62.100 0.016 0.000 1.216 242 T CB -0.080 68.795 68.868 0.013 0.000 0.961 242 T HN 0.502 nan 8.240 nan 0.000 0.515 243 A N 3.946 126.778 122.820 0.020 0.000 2.577 243 A HA 0.412 4.732 4.320 -0.000 0.000 0.233 243 A C 1.431 179.037 177.584 0.036 0.000 1.076 243 A CA 0.575 52.627 52.037 0.026 0.000 0.767 243 A CB -0.286 18.722 19.000 0.013 0.000 1.017 243 A HN 1.201 nan 8.150 nan 0.000 0.511 244 S N -1.470 114.262 115.700 0.054 0.000 4.152 244 S HA -0.194 4.276 4.470 -0.000 0.000 0.266 244 S C 1.523 176.191 174.600 0.114 0.000 1.862 244 S CA 1.123 59.369 58.200 0.077 0.000 4.242 244 S CB -1.918 61.315 63.200 0.054 0.000 0.206 244 S HN 0.977 nan 8.310 nan 0.000 0.454 245 E N 0.644 120.890 120.200 0.077 0.000 2.022 245 E HA 0.096 4.446 4.350 -0.000 0.000 0.190 245 E C 2.249 178.877 176.600 0.048 0.000 0.973 245 E CA 0.919 57.353 56.400 0.057 0.000 0.816 245 E CB -0.255 29.465 29.700 0.033 0.000 0.781 245 E HN 0.634 nan 8.360 nan 0.000 0.456 246 M N 0.933 120.556 119.600 0.037 0.000 2.143 246 M HA -0.244 4.236 4.480 -0.000 0.000 0.258 246 M C 2.524 178.849 176.300 0.040 0.000 1.071 246 M CA 1.315 56.633 55.300 0.030 0.000 1.088 246 M CB -0.299 32.315 32.600 0.023 0.000 1.360 246 M HN 0.233 nan 8.290 nan 0.000 0.404 247 L N 0.117 121.377 121.223 0.061 0.000 2.027 247 L HA -0.205 4.135 4.340 -0.000 0.000 0.206 247 L C 2.196 179.138 176.870 0.120 0.000 1.074 247 L CA 1.830 56.721 54.840 0.085 0.000 0.745 247 L CB -0.569 41.533 42.059 0.072 0.000 0.898 247 L HN 0.144 nan 8.230 nan 0.000 0.433 248 K N -0.202 120.290 120.400 0.152 0.000 2.067 248 K HA -0.343 3.977 4.320 -0.000 0.000 0.226 248 K C 1.783 178.355 176.600 -0.048 0.000 1.046 248 K CA 2.538 58.839 56.287 0.024 0.000 0.967 248 K CB -0.438 31.997 32.500 -0.109 0.000 0.749 248 K HN 0.461 nan 8.250 nan 0.000 0.456 249 D N -0.563 119.824 120.400 -0.021 0.000 2.310 249 D HA -0.080 4.560 4.640 -0.000 0.000 0.212 249 D C 1.651 177.939 176.300 -0.020 0.000 0.965 249 D CA 0.983 54.964 54.000 -0.032 0.000 0.879 249 D CB 0.103 40.888 40.800 -0.025 0.000 0.921 249 D HN 0.332 nan 8.370 nan 0.000 0.510 250 M N -0.828 118.772 119.600 -0.000 0.000 2.501 250 M HA -0.026 4.454 4.480 -0.000 0.000 0.261 250 M C 1.846 178.151 176.300 0.007 0.000 1.129 250 M CA 0.228 55.533 55.300 0.008 0.000 1.126 250 M CB 0.646 33.258 32.600 0.020 0.000 1.359 250 M HN -0.117 nan 8.290 nan 0.000 0.471 251 V N -0.037 119.882 119.914 0.008 0.000 2.239 251 V HA -0.096 4.024 4.120 -0.000 0.000 0.242 251 V C 2.536 178.607 176.094 -0.039 0.000 1.038 251 V CA 1.789 64.091 62.300 0.003 0.000 1.002 251 V CB -1.692 30.173 31.823 0.070 0.000 0.641 251 V HN 0.456 nan 8.190 nan 0.000 0.449 252 A N -0.601 122.164 122.820 -0.093 0.000 2.159 252 A HA -0.287 4.033 4.320 -0.000 0.000 0.222 252 A C 2.245 179.795 177.584 -0.056 0.000 1.163 252 A CA 2.111 54.091 52.037 -0.095 0.000 0.664 252 A CB -0.512 18.410 19.000 -0.129 0.000 0.803 252 A HN 0.602 nan 8.150 nan 0.000 0.470 253 E N -0.046 120.132 120.200 -0.037 0.000 2.030 253 E HA -0.100 4.250 4.350 -0.000 0.000 0.189 253 E C 1.889 178.479 176.600 -0.017 0.000 0.974 253 E CA 1.028 57.414 56.400 -0.023 0.000 0.807 253 E CB -0.343 29.349 29.700 -0.015 0.000 0.771 253 E HN 0.652 nan 8.360 nan 0.000 0.451 254 I N 1.279 121.842 120.570 -0.012 0.000 2.600 254 I HA -0.438 3.732 4.170 -0.000 0.000 0.230 254 I C 2.531 178.639 176.117 -0.015 0.000 0.913 254 I CA 2.545 63.838 61.300 -0.011 0.000 1.228 254 I CB -0.710 37.285 38.000 -0.008 0.000 0.943 254 I HN 0.056 nan 8.210 nan 0.000 0.391 255 K N 1.084 121.471 120.400 -0.022 0.000 2.361 255 K HA 0.148 4.468 4.320 -0.000 0.000 0.196 255 K C 2.065 178.651 176.600 -0.024 0.000 1.039 255 K CA 0.849 57.121 56.287 -0.025 0.000 1.001 255 K CB 0.012 32.493 32.500 -0.032 0.000 0.795 255 K HN 0.336 nan 8.250 nan 0.000 0.495 256 A N 0.866 123.672 122.820 -0.024 0.000 1.863 256 A HA -0.269 4.051 4.320 -0.000 0.000 0.218 256 A C 2.178 179.754 177.584 -0.013 0.000 1.233 256 A CA 2.340 54.366 52.037 -0.019 0.000 0.655 256 A CB -1.386 17.602 19.000 -0.020 0.000 0.839 256 A HN 0.418 nan 8.150 nan 0.000 0.454 257 S N -2.137 113.558 115.700 -0.010 0.000 2.499 257 S HA 0.223 4.693 4.470 -0.000 0.000 0.206 257 S C 1.458 176.056 174.600 -0.004 0.000 1.165 257 S CA 1.645 59.842 58.200 -0.005 0.000 1.503 257 S CB -0.403 62.796 63.200 -0.002 0.000 1.004 257 S HN 1.281 nan 8.310 nan 0.000 0.385 258 G N -1.016 107.783 108.800 -0.002 0.000 4.490 258 G HA2 0.489 4.449 3.960 -0.000 0.000 0.233 258 G HA3 0.489 4.449 3.960 -0.000 0.000 0.233 258 G C -0.349 174.552 174.900 0.001 0.000 1.027 258 G CA 0.372 45.472 45.100 -0.000 0.000 0.829 258 G HN 0.690 nan 8.290 nan 0.000 0.343 259 A N 1.534 124.353 122.820 -0.002 0.000 2.310 259 A HA 0.524 4.844 4.320 -0.000 0.000 0.300 259 A C 0.972 178.548 177.584 -0.013 0.000 1.269 259 A CA -0.084 51.951 52.037 -0.003 0.000 0.909 259 A CB 0.185 19.182 19.000 -0.006 0.000 1.144 259 A HN 0.351 nan 8.150 nan 0.000 0.540 260 N N 1.680 120.373 118.700 -0.013 0.000 2.236 260 N HA 0.146 4.886 4.740 -0.000 0.000 0.196 260 N C -0.624 174.859 175.510 -0.044 0.000 1.114 260 N CA 0.125 53.161 53.050 -0.023 0.000 0.859 260 N CB 0.486 38.963 38.487 -0.016 0.000 0.982 260 N HN 0.218 nan 8.380 nan 0.000 0.493 261 V N 0.777 120.661 119.914 -0.050 0.000 2.777 261 V HA 0.468 4.588 4.120 -0.000 0.000 0.306 261 V C -1.372 174.651 176.094 -0.118 0.000 1.112 261 V CA -0.862 61.372 62.300 -0.110 0.000 0.917 261 V CB 2.375 34.173 31.823 -0.041 0.000 1.018 261 V HN 0.184 nan 8.190 nan 0.000 0.426 262 L N 4.745 125.818 121.223 -0.251 0.000 2.470 262 L HA 0.723 5.063 4.340 -0.000 0.000 0.268 262 L C -1.940 174.741 176.870 -0.315 0.000 0.964 262 L CA -0.227 54.518 54.840 -0.157 0.000 0.839 262 L CB 1.853 43.856 42.059 -0.093 0.000 1.276 262 L HN 0.589 nan 8.230 nan 0.000 0.403 263 F N 4.328 124.287 119.950 0.014 0.000 2.445 263 F HA 0.457 4.984 4.527 -0.000 0.000 0.348 263 F C 0.227 176.033 175.800 0.010 0.000 1.125 263 F CA -0.773 57.234 58.000 0.012 0.000 0.983 263 F CB 1.298 40.304 39.000 0.010 0.000 1.198 263 F HN 0.470 nan 8.300 nan 0.000 0.436 264 C N 1.544 120.936 119.300 0.153 0.000 2.376 264 C HA 0.494 4.954 4.460 -0.000 0.000 0.335 264 C C 1.440 176.482 174.990 0.087 0.000 1.229 264 C CA -0.666 58.407 59.018 0.092 0.000 1.867 264 C CB 1.228 28.999 27.740 0.053 0.000 2.319 264 C HN 1.043 nan 8.230 nan 0.000 0.515 265 Q N 2.402 122.241 119.800 0.064 0.000 2.079 265 Q HA -0.071 4.269 4.340 -0.000 0.000 0.200 265 Q C 1.256 177.279 176.000 0.038 0.000 0.974 265 Q CA 1.447 57.278 55.803 0.046 0.000 0.840 265 Q CB 0.179 28.937 28.738 0.033 0.000 0.898 265 Q HN 0.841 nan 8.270 nan 0.000 0.430 266 K N -0.071 120.351 120.400 0.035 0.000 2.868 266 K HA 0.372 4.692 4.320 -0.000 0.000 0.304 266 K C 0.781 177.399 176.600 0.029 0.000 1.007 266 K CA -0.053 56.251 56.287 0.028 0.000 1.123 266 K CB -0.670 31.843 32.500 0.022 0.000 1.408 266 K HN 0.186 nan 8.250 nan 0.000 0.522 267 G N 0.211 109.025 108.800 0.023 0.000 2.583 267 G HA2 0.422 4.382 3.960 -0.000 0.000 0.275 267 G HA3 0.422 4.382 3.960 -0.000 0.000 0.275 267 G C -0.002 174.911 174.900 0.022 0.000 1.342 267 G CA -0.661 44.452 45.100 0.022 0.000 1.030 267 G HN 0.457 nan 8.290 nan 0.000 0.520 268 I N -1.307 119.274 120.570 0.018 0.000 2.828 268 I HA 0.300 4.470 4.170 -0.000 0.000 0.302 268 I C -1.271 174.855 176.117 0.015 0.000 1.101 268 I CA -0.965 60.346 61.300 0.018 0.000 1.031 268 I CB 2.419 40.429 38.000 0.016 0.000 1.231 268 I HN 0.299 nan 8.210 nan 0.000 0.427 269 D N 2.974 123.384 120.400 0.017 0.000 2.304 269 D HA 0.084 4.724 4.640 -0.000 0.000 0.247 269 D C 0.804 177.105 176.300 0.001 0.000 1.089 269 D CA 0.190 54.195 54.000 0.009 0.000 0.910 269 D CB 0.979 41.786 40.800 0.012 0.000 1.199 269 D HN 0.617 nan 8.370 nan 0.000 0.426 270 D N 2.487 122.882 120.400 -0.009 0.000 2.559 270 D HA -0.358 4.282 4.640 -0.000 0.000 0.538 270 D C 1.916 178.190 176.300 -0.043 0.000 0.913 270 D CA 1.364 55.349 54.000 -0.025 0.000 1.524 270 D CB -0.669 40.112 40.800 -0.033 0.000 0.811 270 D HN 0.391 nan 8.370 nan 0.000 0.420 271 L N 0.822 122.003 121.223 -0.071 0.000 2.265 271 L HA -0.091 4.249 4.340 -0.000 0.000 0.215 271 L C 2.698 179.475 176.870 -0.154 0.000 1.117 271 L CA 1.196 55.948 54.840 -0.147 0.000 0.782 271 L CB -0.231 41.735 42.059 -0.155 0.000 0.914 271 L HN 0.241 nan 8.230 nan 0.000 0.441 272 A N -0.288 122.521 122.820 -0.018 0.000 1.855 272 A HA -0.263 4.057 4.320 -0.000 0.000 0.215 272 A C 2.046 179.665 177.584 0.058 0.000 1.191 272 A CA 1.534 53.614 52.037 0.072 0.000 0.613 272 A CB -0.506 18.547 19.000 0.088 0.000 0.829 272 A HN 0.552 nan 8.150 nan 0.000 0.442 273 Q N -0.791 119.025 119.800 0.026 0.000 2.197 273 Q HA -0.289 4.051 4.340 -0.000 0.000 0.211 273 Q C 2.015 178.028 176.000 0.022 0.000 0.993 273 Q CA 1.824 57.639 55.803 0.020 0.000 0.883 273 Q CB -0.649 28.096 28.738 0.012 0.000 0.916 273 Q HN 0.869 nan 8.270 nan 0.000 0.418 274 H N -0.689 118.320 119.070 -0.101 0.000 2.457 274 H HA -0.127 4.429 4.556 -0.000 0.000 0.294 274 H C 1.151 176.431 175.328 -0.080 0.000 1.064 274 H CA 1.191 57.156 56.048 -0.137 0.000 1.330 274 H CB 0.247 29.874 29.762 -0.225 0.000 1.395 274 H HN 0.321 nan 8.280 nan 0.000 0.541 275 Y N 0.448 120.724 120.300 -0.039 0.000 2.153 275 Y HA -0.107 4.442 4.550 -0.000 0.000 0.289 275 Y C 2.729 178.568 175.900 -0.102 0.000 1.127 275 Y CA 0.527 58.578 58.100 -0.081 0.000 1.131 275 Y CB -0.725 37.725 38.460 -0.016 0.000 0.995 275 Y HN 0.078 nan 8.280 nan 0.000 0.505 276 L N -0.541 120.741 121.223 0.098 0.000 2.187 276 L HA -0.218 4.122 4.340 -0.000 0.000 0.213 276 L C 2.469 179.327 176.870 -0.020 0.000 1.100 276 L CA 1.475 56.330 54.840 0.025 0.000 0.765 276 L CB -0.712 41.352 42.059 0.009 0.000 0.904 276 L HN 0.192 nan 8.230 nan 0.000 0.437 277 A N -1.005 121.782 122.820 -0.054 0.000 1.970 277 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 277 A C 2.357 179.881 177.584 -0.099 0.000 1.170 277 A CA 1.053 53.044 52.037 -0.077 0.000 0.645 277 A CB -0.258 18.698 19.000 -0.074 0.000 0.816 277 A HN 0.262 nan 8.150 nan 0.000 0.447 278 K N -0.169 120.150 120.400 -0.134 0.000 2.288 278 K HA -0.115 4.205 4.320 -0.000 0.000 0.201 278 K C 0.320 176.888 176.600 -0.053 0.000 1.048 278 K CA 1.386 57.596 56.287 -0.128 0.000 0.956 278 K CB 0.106 32.503 32.500 -0.172 0.000 0.746 278 K HN 0.623 nan 8.250 nan 0.000 0.461 279 E N -1.496 118.682 120.200 -0.036 0.000 2.685 279 E HA 0.222 4.572 4.350 -0.000 0.000 0.208 279 E C 0.535 177.119 176.600 -0.028 0.000 0.996 279 E CA 0.157 56.540 56.400 -0.028 0.000 1.054 279 E CB 0.571 30.254 29.700 -0.028 0.000 1.075 279 E HN 0.198 nan 8.360 nan 0.000 0.460 280 G N 0.691 109.472 108.800 -0.031 0.000 2.234 280 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.260 280 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.260 280 G C 0.177 175.058 174.900 -0.032 0.000 0.987 280 G CA 0.141 45.224 45.100 -0.028 0.000 0.625 280 G HN 0.390 nan 8.290 nan 0.000 0.532 281 I N 2.642 123.191 120.570 -0.036 0.000 2.322 281 I HA 0.333 4.503 4.170 -0.000 0.000 0.292 281 I C 1.381 177.462 176.117 -0.060 0.000 1.060 281 I CA -0.624 60.650 61.300 -0.044 0.000 1.309 281 I CB 0.913 38.892 38.000 -0.036 0.000 1.415 281 I HN 0.205 nan 8.210 nan 0.000 0.492 282 V N 4.278 124.143 119.914 -0.082 0.000 3.003 282 V HA 0.848 4.968 4.120 -0.000 0.000 0.305 282 V C 0.216 176.211 176.094 -0.165 0.000 1.078 282 V CA -0.375 61.859 62.300 -0.111 0.000 1.083 282 V CB 1.366 33.117 31.823 -0.120 0.000 1.039 282 V HN 0.834 nan 8.190 nan 0.000 0.481 283 A N 2.430 125.150 122.820 -0.167 0.000 2.566 283 A HA 0.933 5.253 4.320 -0.000 0.000 0.297 283 A C -0.476 177.006 177.584 -0.169 0.000 1.059 283 A CA -0.272 51.651 52.037 -0.189 0.000 0.691 283 A CB 1.469 20.409 19.000 -0.101 0.000 1.282 283 A HN 2.373 nan 8.150 nan 0.000 0.401 284 A N 1.385 124.098 122.820 -0.178 0.000 2.343 284 A HA 0.832 5.152 4.320 -0.000 0.000 0.316 284 A C -0.213 177.391 177.584 0.033 0.000 1.104 284 A CA -0.581 51.425 52.037 -0.053 0.000 0.768 284 A CB 0.956 19.962 19.000 0.009 0.000 1.213 284 A HN 1.514 nan 8.150 nan 0.000 0.456 285 R N 1.967 122.493 120.500 0.043 0.000 2.460 285 R HA 0.685 5.025 4.340 -0.000 0.000 0.303 285 R C 0.429 176.760 176.300 0.051 0.000 0.968 285 R CA -0.314 55.810 56.100 0.040 0.000 0.889 285 R CB 0.775 31.089 30.300 0.023 0.000 1.123 285 R HN 0.783 nan 8.270 nan 0.000 0.455 286 R N 0.378 120.904 120.500 0.044 0.000 3.997 286 R HA -0.146 4.194 4.340 -0.000 0.000 0.431 286 R C -0.231 176.096 176.300 0.044 0.000 1.066 286 R CA 1.050 57.174 56.100 0.039 0.000 1.382 286 R CB -2.617 27.699 30.300 0.027 0.000 1.978 286 R HN 0.519 nan 8.270 nan 0.000 0.550 287 V N 4.128 124.083 119.914 0.068 0.000 2.583 287 V HA -0.093 4.027 4.120 -0.000 0.000 0.302 287 V C 1.476 177.593 176.094 0.039 0.000 1.033 287 V CA 0.724 63.067 62.300 0.073 0.000 1.194 287 V CB 0.129 32.039 31.823 0.145 0.000 0.879 287 V HN 0.089 nan 8.190 nan 0.000 0.482 288 K N 4.488 124.897 120.400 0.015 0.000 2.494 288 K HA -0.020 4.300 4.320 -0.000 0.000 0.273 288 K C 1.085 177.683 176.600 -0.004 0.000 0.970 288 K CA -0.089 56.199 56.287 0.001 0.000 0.963 288 K CB 0.904 33.402 32.500 -0.005 0.000 0.913 288 K HN 0.647 nan 8.250 nan 0.000 0.502 289 K N 1.271 121.669 120.400 -0.004 0.000 2.242 289 K HA -0.038 4.282 4.320 -0.000 0.000 0.200 289 K C 1.662 178.254 176.600 -0.013 0.000 1.050 289 K CA 0.544 56.829 56.287 -0.003 0.000 0.981 289 K CB 0.215 32.717 32.500 0.003 0.000 0.795 289 K HN 0.479 nan 8.250 nan 0.000 0.477 290 S N 1.865 117.555 115.700 -0.017 0.000 2.374 290 S HA -0.177 4.293 4.470 -0.000 0.000 0.227 290 S C 1.178 175.754 174.600 -0.041 0.000 1.037 290 S CA 1.881 60.065 58.200 -0.026 0.000 1.024 290 S CB -0.395 62.792 63.200 -0.023 0.000 0.861 290 S HN 0.390 nan 8.310 nan 0.000 0.456 291 D N 1.042 121.414 120.400 -0.048 0.000 2.178 291 D HA -0.020 4.620 4.640 -0.000 0.000 0.201 291 D C 1.952 178.194 176.300 -0.096 0.000 0.980 291 D CA 0.725 54.677 54.000 -0.079 0.000 0.842 291 D CB -0.212 40.538 40.800 -0.082 0.000 0.948 291 D HN 0.237 nan 8.370 nan 0.000 0.472 292 M N 0.827 120.392 119.600 -0.058 0.000 2.073 292 M HA -0.191 4.289 4.480 -0.000 0.000 0.258 292 M C 2.084 178.358 176.300 -0.043 0.000 1.070 292 M CA 1.434 56.710 55.300 -0.041 0.000 1.103 292 M CB -1.147 31.448 32.600 -0.007 0.000 1.321 292 M HN 0.251 nan 8.290 nan 0.000 0.405 293 E N 1.246 121.425 120.200 -0.035 0.000 2.267 293 E HA -0.229 4.121 4.350 -0.000 0.000 0.197 293 E C 1.473 178.048 176.600 -0.042 0.000 0.998 293 E CA 1.447 57.828 56.400 -0.032 0.000 0.830 293 E CB -0.319 29.370 29.700 -0.018 0.000 0.751 293 E HN 0.637 nan 8.360 nan 0.000 0.491 294 K N 0.720 121.081 120.400 -0.065 0.000 2.099 294 K HA 0.062 4.382 4.320 -0.000 0.000 0.203 294 K C 2.341 178.879 176.600 -0.102 0.000 1.047 294 K CA 0.717 56.956 56.287 -0.080 0.000 0.963 294 K CB -0.377 32.078 32.500 -0.076 0.000 0.759 294 K HN -0.052 nan 8.250 nan 0.000 0.451 295 L N 1.914 123.047 121.223 -0.151 0.000 2.064 295 L HA -0.309 4.031 4.340 -0.000 0.000 0.216 295 L C 2.669 179.487 176.870 -0.086 0.000 1.077 295 L CA 2.018 56.746 54.840 -0.185 0.000 0.766 295 L CB -0.861 40.980 42.059 -0.363 0.000 0.890 295 L HN 0.325 nan 8.230 nan 0.000 0.435 296 A N -0.456 122.332 122.820 -0.052 0.000 1.969 296 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 296 A C 2.288 179.882 177.584 0.016 0.000 1.169 296 A CA 1.801 53.833 52.037 -0.008 0.000 0.635 296 A CB -0.316 18.683 19.000 -0.001 0.000 0.810 296 A HN 0.511 nan 8.150 nan 0.000 0.445 297 K N -0.046 120.355 120.400 0.001 0.000 2.044 297 K HA 0.300 4.620 4.320 -0.000 0.000 0.204 297 K C 2.231 178.831 176.600 -0.001 0.000 1.045 297 K CA 0.685 56.977 56.287 0.009 0.000 0.951 297 K CB -0.494 32.002 32.500 -0.007 0.000 0.738 297 K HN 0.307 nan 8.250 nan 0.000 0.443 298 A N 2.261 125.064 122.820 -0.028 0.000 2.481 298 A HA -0.313 4.007 4.320 -0.000 0.000 0.204 298 A C 2.436 180.023 177.584 0.006 0.000 1.187 298 A CA 3.338 55.358 52.037 -0.028 0.000 0.928 298 A CB -1.897 17.067 19.000 -0.059 0.000 0.788 298 A HN 0.539 nan 8.150 nan 0.000 0.548 299 T N -3.044 111.515 114.554 0.009 0.000 2.594 299 T HA 0.090 4.440 4.350 -0.000 0.000 0.266 299 T C 1.586 176.320 174.700 0.057 0.000 1.070 299 T CA 2.678 64.800 62.100 0.038 0.000 1.166 299 T CB -0.999 67.900 68.868 0.052 0.000 0.862 299 T HN 2.425 nan 8.240 nan 0.000 0.436 300 G N 0.545 109.381 108.800 0.060 0.000 2.161 300 G HA2 0.354 4.314 3.960 -0.000 0.000 0.140 300 G HA3 0.354 4.314 3.960 -0.000 0.000 0.140 300 G C 0.063 174.993 174.900 0.049 0.000 1.040 300 G CA 0.008 45.160 45.100 0.088 0.000 0.735 300 G HN 1.069 nan 8.290 nan 0.000 0.496 301 A N 0.010 122.853 122.820 0.039 0.000 2.313 301 A HA 0.709 5.028 4.320 -0.000 0.000 0.261 301 A C 0.311 177.906 177.584 0.020 0.000 1.090 301 A CA 0.139 52.193 52.037 0.028 0.000 0.807 301 A CB 0.284 19.302 19.000 0.030 0.000 1.055 301 A HN 0.770 nan 8.150 nan 0.000 0.492 302 N N -0.319 118.390 118.700 0.015 0.000 2.400 302 N HA 0.452 5.192 4.740 -0.000 0.000 0.288 302 N C -0.966 174.553 175.510 0.015 0.000 1.024 302 N CA -0.718 52.339 53.050 0.012 0.000 0.894 302 N CB 1.482 39.973 38.487 0.006 0.000 1.173 302 N HN 0.285 nan 8.380 nan 0.000 0.487 303 V N 1.448 121.370 119.914 0.013 0.000 2.415 303 V HA 0.185 4.305 4.120 -0.000 0.000 0.267 303 V C 0.977 177.081 176.094 0.016 0.000 1.042 303 V CA -0.821 61.489 62.300 0.016 0.000 1.000 303 V CB -1.129 30.701 31.823 0.011 0.000 1.015 303 V HN 0.743 nan 8.190 nan 0.000 0.478 304 I N 2.553 123.135 120.570 0.020 0.000 2.970 304 I HA 0.527 4.697 4.170 -0.000 0.000 0.310 304 I C 1.463 177.591 176.117 0.018 0.000 1.010 304 I CA -0.031 61.280 61.300 0.017 0.000 1.228 304 I CB 1.606 39.617 38.000 0.019 0.000 1.433 304 I HN 0.673 nan 8.210 nan 0.000 0.573 305 T N 2.002 116.565 114.554 0.015 0.000 2.995 305 T HA -0.030 4.320 4.350 -0.000 0.000 0.216 305 T C 0.897 175.607 174.700 0.017 0.000 1.000 305 T CA 0.929 63.037 62.100 0.014 0.000 2.118 305 T CB -0.808 68.066 68.868 0.011 0.000 1.401 305 T HN 0.977 nan 8.240 nan 0.000 0.389 306 N N 0.424 119.133 118.700 0.015 0.000 2.071 306 N HA -0.160 4.580 4.740 -0.000 0.000 0.254 306 N C 0.893 176.415 175.510 0.020 0.000 1.227 306 N CA 0.669 53.728 53.050 0.016 0.000 0.851 306 N CB -0.192 38.304 38.487 0.015 0.000 1.062 306 N HN 0.555 nan 8.380 nan 0.000 0.471 307 I N 1.791 122.373 120.570 0.020 0.000 2.288 307 I HA -0.389 3.781 4.170 -0.000 0.000 0.206 307 I C 1.954 178.081 176.117 0.016 0.000 0.973 307 I CA 2.345 63.657 61.300 0.020 0.000 1.310 307 I CB -0.827 37.186 38.000 0.021 0.000 1.026 307 I HN 0.903 nan 8.210 nan 0.000 0.380 308 K N -0.247 120.160 120.400 0.013 0.000 2.347 308 K HA -0.344 3.976 4.320 -0.000 0.000 0.209 308 K C 1.589 178.193 176.600 0.008 0.000 1.020 308 K CA 2.551 58.844 56.287 0.009 0.000 0.924 308 K CB -1.267 31.238 32.500 0.007 0.000 0.863 308 K HN 0.543 nan 8.250 nan 0.000 0.495 309 D N -0.128 120.278 120.400 0.010 0.000 2.348 309 D HA 0.024 4.664 4.640 -0.000 0.000 0.216 309 D C -0.035 176.272 176.300 0.010 0.000 0.970 309 D CA 0.463 54.469 54.000 0.009 0.000 0.889 309 D CB 0.180 40.986 40.800 0.011 0.000 0.912 309 D HN 0.124 nan 8.370 nan 0.000 0.524 310 L N 0.677 121.908 121.223 0.012 0.000 2.276 310 L HA 0.378 4.718 4.340 -0.000 0.000 0.286 310 L C -0.829 176.048 176.870 0.012 0.000 1.061 310 L CA 0.230 55.079 54.840 0.016 0.000 0.807 310 L CB 0.818 42.888 42.059 0.019 0.000 1.177 310 L HN -0.155 nan 8.230 nan 0.000 0.429 311 S N 2.740 118.449 115.700 0.013 0.000 2.578 311 S HA 0.347 4.817 4.470 -0.000 0.000 0.285 311 S C -0.002 174.606 174.600 0.014 0.000 1.126 311 S CA -0.151 58.055 58.200 0.010 0.000 0.878 311 S CB 1.703 64.907 63.200 0.007 0.000 1.091 311 S HN 0.713 nan 8.310 nan 0.000 0.450 312 A N 1.406 124.232 122.820 0.011 0.000 2.460 312 A HA 0.276 4.596 4.320 -0.000 0.000 0.258 312 A C 1.248 178.838 177.584 0.010 0.000 1.300 312 A CA 0.241 52.287 52.037 0.014 0.000 0.913 312 A CB -0.175 18.834 19.000 0.014 0.000 1.031 312 A HN 0.577 nan 8.150 nan 0.000 0.512 313 Q N 0.608 120.412 119.800 0.007 0.000 1.994 313 Q HA -0.101 4.239 4.340 -0.000 0.000 0.198 313 Q C 1.193 177.195 176.000 0.004 0.000 0.976 313 Q CA 1.794 57.599 55.803 0.004 0.000 0.828 313 Q CB -0.333 28.405 28.738 0.000 0.000 0.894 313 Q HN 0.612 nan 8.270 nan 0.000 0.432 314 D N -0.368 120.036 120.400 0.006 0.000 2.276 314 D HA -0.174 4.466 4.640 -0.000 0.000 0.200 314 D C 0.193 176.502 176.300 0.015 0.000 1.004 314 D CA 0.904 54.909 54.000 0.010 0.000 0.898 314 D CB 0.141 40.948 40.800 0.012 0.000 0.906 314 D HN 0.085 nan 8.370 nan 0.000 0.457 315 L N -0.578 120.657 121.223 0.020 0.000 2.286 315 L HA 0.476 4.816 4.340 -0.000 0.000 0.265 315 L C 1.092 177.983 176.870 0.035 0.000 1.012 315 L CA -0.635 54.225 54.840 0.033 0.000 0.818 315 L CB 1.192 43.276 42.059 0.043 0.000 1.337 315 L HN -0.145 nan 8.230 nan 0.000 0.438 316 G N -0.596 108.234 108.800 0.050 0.000 2.563 316 G HA2 0.330 4.290 3.960 -0.000 0.000 0.283 316 G HA3 0.330 4.290 3.960 -0.000 0.000 0.283 316 G C -1.010 173.918 174.900 0.047 0.000 1.309 316 G CA -0.195 44.936 45.100 0.051 0.000 1.022 316 G HN 0.532 nan 8.290 nan 0.000 0.501 317 D N 0.027 120.455 120.400 0.048 0.000 2.481 317 D HA 0.564 5.204 4.640 -0.000 0.000 0.246 317 D C -0.652 175.681 176.300 0.055 0.000 1.109 317 D CA 0.056 54.084 54.000 0.047 0.000 0.845 317 D CB 1.582 42.404 40.800 0.038 0.000 1.160 317 D HN 0.520 nan 8.370 nan 0.000 0.534 318 A N 1.661 124.516 122.820 0.058 0.000 2.547 318 A HA 0.533 4.853 4.320 -0.000 0.000 0.279 318 A C 1.059 178.677 177.584 0.058 0.000 1.088 318 A CA -0.451 51.624 52.037 0.063 0.000 0.796 318 A CB 1.155 20.206 19.000 0.084 0.000 1.308 318 A HN 0.458 nan 8.150 nan 0.000 0.415 319 G N 1.084 109.913 108.800 0.048 0.000 2.591 319 G HA2 0.085 4.045 3.960 -0.000 0.000 0.218 319 G HA3 0.085 4.045 3.960 -0.000 0.000 0.218 319 G C 0.443 175.368 174.900 0.042 0.000 1.113 319 G CA 1.024 46.149 45.100 0.041 0.000 0.740 319 G HN 0.633 nan 8.290 nan 0.000 0.569 320 L N -0.358 120.899 121.223 0.057 0.000 2.513 320 L HA 0.411 4.751 4.340 -0.000 0.000 0.261 320 L C -1.498 175.428 176.870 0.093 0.000 0.945 320 L CA -0.637 54.238 54.840 0.058 0.000 0.848 320 L CB 2.861 44.945 42.059 0.043 0.000 1.334 320 L HN -0.214 nan 8.230 nan 0.000 0.407 321 V N 2.436 122.404 119.914 0.090 0.000 2.516 321 V HA 0.330 4.450 4.120 -0.000 0.000 0.271 321 V C -0.513 175.639 176.094 0.097 0.000 0.992 321 V CA -0.488 61.889 62.300 0.128 0.000 0.857 321 V CB 1.818 33.729 31.823 0.146 0.000 1.047 321 V HN 0.762 nan 8.190 nan 0.000 0.455 322 E N 2.928 123.191 120.200 0.105 0.000 2.238 322 E HA 0.426 4.776 4.350 -0.000 0.000 0.267 322 E C -0.720 175.945 176.600 0.108 0.000 0.887 322 E CA -0.660 55.773 56.400 0.055 0.000 0.769 322 E CB 1.982 31.669 29.700 -0.021 0.000 1.187 322 E HN 0.611 nan 8.360 nan 0.000 0.416 323 E N 4.521 124.770 120.200 0.083 0.000 1.936 323 E HA 0.145 4.495 4.350 -0.000 0.000 0.267 323 E C -0.920 175.728 176.600 0.080 0.000 1.076 323 E CA -0.308 56.160 56.400 0.113 0.000 0.870 323 E CB 0.385 30.128 29.700 0.073 0.000 1.093 323 E HN 0.366 nan 8.360 nan 0.000 0.411 324 R N 3.660 124.217 120.500 0.095 0.000 2.215 324 R HA 0.194 4.534 4.340 -0.000 0.000 0.337 324 R C -0.254 176.100 176.300 0.090 0.000 1.010 324 R CA -0.527 55.591 56.100 0.030 0.000 0.871 324 R CB 0.943 31.156 30.300 -0.144 0.000 1.134 324 R HN 0.108 nan 8.270 nan 0.000 0.477 325 K N 3.000 123.433 120.400 0.055 0.000 2.382 325 K HA 0.076 4.396 4.320 -0.000 0.000 0.286 325 K C -0.215 176.422 176.600 0.061 0.000 1.062 325 K CA 0.363 56.684 56.287 0.056 0.000 1.000 325 K CB 0.321 32.843 32.500 0.037 0.000 0.954 325 K HN 0.498 nan 8.250 nan 0.000 0.470 326 I N 3.132 123.753 120.570 0.084 0.000 2.390 326 I HA 0.079 4.249 4.170 -0.000 0.000 0.283 326 I C 0.151 176.303 176.117 0.059 0.000 1.016 326 I CA 0.175 61.525 61.300 0.084 0.000 1.151 326 I CB 0.854 38.942 38.000 0.148 0.000 1.293 326 I HN 0.844 nan 8.210 nan 0.000 0.458 327 S N 4.695 120.421 115.700 0.043 0.000 3.261 327 S HA -0.175 4.294 4.470 -0.000 0.000 0.287 327 S C 0.874 175.491 174.600 0.028 0.000 1.281 327 S CA 1.507 59.726 58.200 0.032 0.000 1.053 327 S CB -1.843 61.376 63.200 0.031 0.000 1.251 327 S HN 2.474 nan 8.310 nan 0.000 0.659 328 G N -0.088 108.731 108.800 0.032 0.000 2.207 328 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.216 328 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.216 328 G C -0.537 174.379 174.900 0.028 0.000 1.053 328 G CA 0.221 45.337 45.100 0.027 0.000 0.764 328 G HN 0.782 nan 8.290 nan 0.000 0.495 329 D N -0.673 119.749 120.400 0.037 0.000 2.559 329 D HA 0.598 5.238 4.640 -0.000 0.000 0.250 329 D C -0.593 175.739 176.300 0.054 0.000 1.135 329 D CA -0.459 53.563 54.000 0.038 0.000 0.955 329 D CB 1.765 42.585 40.800 0.032 0.000 1.442 329 D HN 0.010 nan 8.370 nan 0.000 0.471 330 S N 0.413 116.147 115.700 0.057 0.000 2.429 330 S HA 0.516 4.986 4.470 -0.000 0.000 0.302 330 S C -0.234 174.420 174.600 0.091 0.000 1.115 330 S CA -0.520 57.723 58.200 0.072 0.000 1.095 330 S CB 0.442 63.676 63.200 0.058 0.000 0.987 330 S HN 0.209 nan 8.310 nan 0.000 0.474 331 M N 3.876 123.558 119.600 0.137 0.000 2.464 331 M HA 0.544 5.024 4.480 -0.000 0.000 0.308 331 M C -0.872 175.565 176.300 0.228 0.000 1.127 331 M CA -0.524 54.865 55.300 0.148 0.000 0.913 331 M CB 1.817 34.470 32.600 0.088 0.000 1.689 331 M HN 0.330 nan 8.290 nan 0.000 0.445 332 I N 2.897 123.579 120.570 0.186 0.000 2.325 332 I HA 0.305 4.475 4.170 -0.000 0.000 0.291 332 I C -0.875 175.383 176.117 0.235 0.000 1.019 332 I CA -0.202 61.258 61.300 0.268 0.000 1.302 332 I CB 0.404 38.618 38.000 0.357 0.000 1.401 332 I HN 0.510 nan 8.210 nan 0.000 0.485 333 F N 5.580 125.580 119.950 0.085 0.000 2.380 333 F HA 0.439 4.966 4.527 -0.000 0.000 0.321 333 F C 0.599 176.447 175.800 0.079 0.000 1.103 333 F CA -0.654 57.380 58.000 0.057 0.000 1.067 333 F CB 1.375 40.398 39.000 0.038 0.000 1.265 333 F HN 0.038 nan 8.300 nan 0.000 0.517 334 V N 0.656 120.697 119.914 0.211 0.000 2.939 334 V HA 0.209 4.329 4.120 -0.000 0.000 0.320 334 V C -0.996 175.151 176.094 0.088 0.000 1.101 334 V CA -0.848 61.526 62.300 0.123 0.000 1.345 334 V CB -0.182 31.667 31.823 0.044 0.000 1.079 334 V HN 0.731 nan 8.190 nan 0.000 0.549 335 E N 0.251 120.522 120.200 0.118 0.000 2.214 335 E HA 0.774 5.124 4.350 -0.000 0.000 0.274 335 E C -0.277 176.363 176.600 0.066 0.000 0.977 335 E CA -0.939 55.518 56.400 0.094 0.000 0.827 335 E CB 1.846 31.618 29.700 0.120 0.000 1.130 335 E HN 0.230 nan 8.360 nan 0.000 0.394 336 E N 0.505 120.735 120.200 0.050 0.000 2.432 336 E HA -0.122 4.228 4.350 -0.000 0.000 0.212 336 E C -1.572 175.051 176.600 0.038 0.000 1.268 336 E CA 0.044 56.467 56.400 0.039 0.000 0.692 336 E CB -1.601 28.120 29.700 0.035 0.000 1.169 336 E HN 0.679 nan 8.360 nan 0.000 0.411 337 C N 3.597 122.916 119.300 0.032 0.000 2.442 337 C HA 0.203 4.663 4.460 -0.000 0.000 0.362 337 C C 2.067 177.080 174.990 0.039 0.000 1.242 337 C CA -0.459 58.578 59.018 0.033 0.000 1.741 337 C CB 0.715 28.469 27.740 0.024 0.000 2.378 337 C HN 0.603 nan 8.230 nan 0.000 0.549 338 K N 2.149 122.584 120.400 0.057 0.000 2.044 338 K HA -0.248 4.072 4.320 -0.000 0.000 0.224 338 K C 1.041 177.698 176.600 0.095 0.000 1.056 338 K CA 1.965 58.296 56.287 0.073 0.000 0.962 338 K CB -0.195 32.353 32.500 0.080 0.000 0.730 338 K HN 0.935 nan 8.250 nan 0.000 0.453 339 H N -0.109 118.963 119.070 0.005 0.000 2.901 339 H HA 0.263 4.819 4.556 -0.000 0.000 0.227 339 H C -2.554 172.773 175.328 -0.001 0.000 1.390 339 H CA -1.316 54.733 56.048 0.002 0.000 1.120 339 H CB 0.684 30.447 29.762 0.002 0.000 2.131 339 H HN 0.103 nan 8.280 nan 0.000 0.549 340 P HA 0.010 nan 4.420 nan 0.000 0.267 340 P C 1.085 178.189 177.300 -0.327 0.000 1.209 340 P CA -0.237 62.745 63.100 -0.197 0.000 0.763 340 P CB 1.298 32.941 31.700 -0.095 0.000 0.816 341 K N 3.003 123.222 120.400 -0.303 0.000 2.147 341 K HA -0.008 4.312 4.320 -0.000 0.000 0.205 341 K C 0.222 176.752 176.600 -0.117 0.000 1.049 341 K CA 1.241 57.410 56.287 -0.196 0.000 0.936 341 K CB -0.472 31.903 32.500 -0.207 0.000 0.722 341 K HN 0.529 nan 8.250 nan 0.000 0.446 342 A N -0.616 122.145 122.820 -0.099 0.000 2.599 342 A HA 0.497 4.817 4.320 -0.000 0.000 0.306 342 A C -1.647 175.899 177.584 -0.065 0.000 1.014 342 A CA -0.165 51.830 52.037 -0.070 0.000 0.784 342 A CB 0.870 19.834 19.000 -0.060 0.000 1.229 342 A HN 0.444 nan 8.150 nan 0.000 0.398 343 V N 2.101 121.981 119.914 -0.057 0.000 2.859 343 V HA 0.565 4.684 4.120 -0.000 0.000 0.276 343 V C -0.694 175.369 176.094 -0.052 0.000 1.496 343 V CA 0.304 62.573 62.300 -0.052 0.000 0.929 343 V CB 1.753 33.550 31.823 -0.045 0.000 1.147 343 V HN 1.450 nan 8.190 nan 0.000 0.449 344 T N 7.868 122.386 114.554 -0.060 0.000 2.909 344 T HA 0.536 4.886 4.350 -0.000 0.000 0.286 344 T C -0.158 174.511 174.700 -0.052 0.000 1.002 344 T CA -0.281 61.777 62.100 -0.070 0.000 1.074 344 T CB 1.356 70.162 68.868 -0.103 0.000 0.984 344 T HN 0.706 nan 8.240 nan 0.000 0.495 345 M N 3.877 123.448 119.600 -0.048 0.000 2.023 345 M HA 0.408 4.888 4.480 -0.000 0.000 0.325 345 M C -1.050 175.230 176.300 -0.034 0.000 0.963 345 M CA -0.681 54.600 55.300 -0.031 0.000 0.928 345 M CB 0.493 33.078 32.600 -0.024 0.000 1.429 345 M HN 0.514 nan 8.290 nan 0.000 0.404 346 L N 6.464 127.671 121.223 -0.027 0.000 2.418 346 L HA 0.310 4.650 4.340 -0.000 0.000 0.274 346 L C -0.791 176.082 176.870 0.005 0.000 1.135 346 L CA 0.026 54.855 54.840 -0.019 0.000 0.870 346 L CB 0.265 42.333 42.059 0.016 0.000 1.154 346 L HN 0.623 nan 8.230 nan 0.000 0.462 347 I N 5.522 126.090 120.570 -0.002 0.000 2.330 347 I HA 0.406 4.576 4.170 -0.000 0.000 0.286 347 I C -0.096 176.030 176.117 0.015 0.000 1.025 347 I CA -0.671 60.632 61.300 0.005 0.000 1.197 347 I CB 0.551 38.550 38.000 -0.002 0.000 1.358 347 I HN 0.542 nan 8.210 nan 0.000 0.467 348 R N 4.600 125.113 120.500 0.022 0.000 2.782 348 R HA 0.945 5.285 4.340 -0.000 0.000 0.258 348 R C 0.132 176.445 176.300 0.022 0.000 1.055 348 R CA -0.951 55.164 56.100 0.025 0.000 1.065 348 R CB 1.822 32.142 30.300 0.034 0.000 1.172 348 R HN 0.845 nan 8.270 nan 0.000 0.510 349 G N -0.696 108.118 108.800 0.023 0.000 2.356 349 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.288 349 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.288 349 G C 0.160 175.075 174.900 0.025 0.000 1.302 349 G CA -0.074 45.040 45.100 0.023 0.000 0.887 349 G HN 0.469 nan 8.290 nan 0.000 0.521 350 T N -3.286 111.284 114.554 0.028 0.000 2.983 350 T HA 0.489 4.839 4.350 -0.000 0.000 0.250 350 T C 1.169 175.888 174.700 0.032 0.000 1.037 350 T CA 2.031 64.147 62.100 0.027 0.000 1.142 350 T CB 0.349 69.233 68.868 0.027 0.000 0.876 350 T HN 1.052 nan 8.240 nan 0.000 0.455 351 T N -0.215 114.366 114.554 0.044 0.000 2.606 351 T HA 0.238 4.588 4.350 -0.000 0.000 0.289 351 T C -0.226 174.505 174.700 0.052 0.000 1.113 351 T CA -0.518 61.612 62.100 0.049 0.000 1.106 351 T CB 1.362 70.263 68.868 0.055 0.000 1.611 351 T HN 0.119 nan 8.240 nan 0.000 0.471 352 E N -0.118 120.108 120.200 0.044 0.000 2.418 352 E HA -0.071 4.279 4.350 -0.000 0.000 0.197 352 E C 1.246 177.837 176.600 -0.015 0.000 1.026 352 E CA 0.978 57.378 56.400 -0.001 0.000 0.862 352 E CB 0.035 29.718 29.700 -0.027 0.000 0.799 352 E HN 0.516 nan 8.360 nan 0.000 0.518 353 H N 0.935 120.007 119.070 0.003 0.000 2.265 353 H HA -0.092 4.464 4.556 -0.000 0.000 0.305 353 H C 2.382 177.712 175.328 0.003 0.000 1.054 353 H CA 1.702 57.752 56.048 0.003 0.000 1.296 353 H CB -0.452 29.312 29.762 0.004 0.000 1.395 353 H HN -0.107 nan 8.280 nan 0.000 0.502 354 V N 1.819 121.821 119.914 0.146 0.000 2.258 354 V HA -0.436 3.684 4.120 -0.000 0.000 0.259 354 V C 2.363 178.487 176.094 0.049 0.000 1.076 354 V CA 2.531 64.876 62.300 0.075 0.000 1.084 354 V CB -1.361 30.491 31.823 0.049 0.000 0.706 354 V HN 0.486 nan 8.190 nan 0.000 0.461 355 I N -0.249 120.341 120.570 0.034 0.000 2.068 355 I HA -0.344 3.826 4.170 -0.000 0.000 0.238 355 I C 2.466 178.584 176.117 0.002 0.000 1.046 355 I CA 2.565 63.873 61.300 0.014 0.000 1.306 355 I CB -1.064 36.939 38.000 0.004 0.000 1.023 355 I HN 0.300 nan 8.210 nan 0.000 0.399 356 E N 0.475 120.667 120.200 -0.015 0.000 2.253 356 E HA -0.309 4.041 4.350 -0.000 0.000 0.202 356 E C 1.964 178.562 176.600 -0.004 0.000 1.014 356 E CA 1.958 58.340 56.400 -0.030 0.000 0.823 356 E CB -0.095 29.558 29.700 -0.078 0.000 0.736 356 E HN 0.637 nan 8.360 nan 0.000 0.478 357 E N -0.696 119.517 120.200 0.022 0.000 2.452 357 E HA -0.018 4.332 4.350 -0.000 0.000 0.197 357 E C 1.394 178.006 176.600 0.020 0.000 1.022 357 E CA 0.168 56.586 56.400 0.029 0.000 0.890 357 E CB 0.515 30.245 29.700 0.051 0.000 0.918 357 E HN 0.009 nan 8.360 nan 0.000 0.496 358 V N 0.580 120.503 119.914 0.016 0.000 2.951 358 V HA 0.084 4.204 4.120 -0.000 0.000 0.255 358 V C 2.188 178.283 176.094 0.002 0.000 1.088 358 V CA 1.228 63.534 62.300 0.010 0.000 1.109 358 V CB -0.040 31.789 31.823 0.010 0.000 0.724 358 V HN 0.454 nan 8.190 nan 0.000 0.471 359 A N 0.219 123.037 122.820 -0.003 0.000 2.014 359 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 359 A C 2.368 179.947 177.584 -0.007 0.000 1.163 359 A CA 1.299 53.330 52.037 -0.010 0.000 0.652 359 A CB -0.288 18.701 19.000 -0.018 0.000 0.808 359 A HN 0.489 nan 8.150 nan 0.000 0.449 360 R N -0.684 119.815 120.500 -0.001 0.000 2.080 360 R HA 0.138 4.478 4.340 -0.000 0.000 0.222 360 R C 2.123 178.425 176.300 0.003 0.000 1.107 360 R CA 0.884 56.985 56.100 0.001 0.000 0.980 360 R CB -0.318 29.985 30.300 0.004 0.000 0.879 360 R HN 0.403 nan 8.270 nan 0.000 0.439 361 A N 0.630 123.454 122.820 0.007 0.000 2.277 361 A HA -0.041 4.279 4.320 -0.000 0.000 0.208 361 A C 1.835 179.421 177.584 0.004 0.000 1.202 361 A CA 0.733 52.774 52.037 0.007 0.000 0.762 361 A CB -0.305 18.702 19.000 0.012 0.000 0.770 361 A HN 0.198 nan 8.150 nan 0.000 0.487 362 V N -0.788 119.125 119.914 -0.000 0.000 2.391 362 V HA -0.059 4.061 4.120 -0.000 0.000 0.237 362 V C 1.956 178.046 176.094 -0.006 0.000 1.046 362 V CA 1.821 64.118 62.300 -0.005 0.000 1.053 362 V CB -0.303 31.515 31.823 -0.007 0.000 0.704 362 V HN 0.498 nan 8.190 nan 0.000 0.475 363 D N 0.837 121.232 120.400 -0.008 0.000 2.242 363 D HA -0.236 4.404 4.640 -0.000 0.000 0.193 363 D C 1.790 178.086 176.300 -0.006 0.000 1.005 363 D CA 2.010 56.005 54.000 -0.009 0.000 0.856 363 D CB -0.770 40.023 40.800 -0.011 0.000 1.001 363 D HN 0.630 nan 8.370 nan 0.000 0.452 364 D N 0.707 121.104 120.400 -0.003 0.000 4.047 364 D HA -0.324 4.316 4.640 -0.000 0.000 0.199 364 D C 1.778 178.078 176.300 -0.001 0.000 1.319 364 D CA 2.351 56.350 54.000 -0.001 0.000 0.865 364 D CB -0.834 39.967 40.800 0.002 0.000 0.911 364 D HN 0.369 nan 8.370 nan 0.000 0.579 365 A N 0.482 123.301 122.820 -0.001 0.000 1.968 365 A HA 0.027 4.347 4.320 -0.000 0.000 0.217 365 A C 2.604 180.186 177.584 -0.003 0.000 1.169 365 A CA 1.166 53.202 52.037 -0.001 0.000 0.638 365 A CB -0.349 18.651 19.000 0.001 0.000 0.812 365 A HN 0.222 nan 8.150 nan 0.000 0.446 366 V N -0.415 119.495 119.914 -0.006 0.000 2.809 366 V HA -0.060 4.060 4.120 -0.000 0.000 0.256 366 V C 2.449 178.538 176.094 -0.007 0.000 1.080 366 V CA 1.567 63.862 62.300 -0.009 0.000 1.102 366 V CB -1.006 30.809 31.823 -0.012 0.000 0.705 366 V HN 0.566 nan 8.190 nan 0.000 0.475 367 G N 0.544 109.340 108.800 -0.006 0.000 2.564 367 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.212 367 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.212 367 G C 1.723 176.621 174.900 -0.003 0.000 1.199 367 G CA 0.957 46.054 45.100 -0.005 0.000 0.832 367 G HN 0.399 nan 8.290 nan 0.000 0.565 368 V N 1.145 121.058 119.914 -0.002 0.000 2.236 368 V HA -0.303 3.817 4.120 -0.000 0.000 0.255 368 V C 2.667 178.761 176.094 -0.000 0.000 1.068 368 V CA 2.929 65.229 62.300 -0.000 0.000 1.044 368 V CB -1.301 30.523 31.823 0.001 0.000 0.653 368 V HN 0.195 nan 8.190 nan 0.000 0.448 369 V N 1.941 121.855 119.914 -0.001 0.000 2.233 369 V HA -0.278 3.842 4.120 -0.000 0.000 0.252 369 V C 3.068 179.160 176.094 -0.003 0.000 1.063 369 V CA 2.826 65.124 62.300 -0.002 0.000 1.032 369 V CB -2.246 29.576 31.823 -0.003 0.000 0.645 369 V HN 0.778 nan 8.190 nan 0.000 0.446 370 G N -1.366 107.431 108.800 -0.004 0.000 2.550 370 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.222 370 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.222 370 G C 1.248 176.146 174.900 -0.003 0.000 1.113 370 G CA 1.500 46.597 45.100 -0.005 0.000 0.748 370 G HN 0.612 nan 8.290 nan 0.000 0.585 371 C N 1.263 120.562 119.300 -0.002 0.000 2.525 371 C HA 0.339 4.799 4.460 -0.000 0.000 0.313 371 C C 2.583 177.572 174.990 -0.001 0.000 1.311 371 C CA 0.358 59.375 59.018 -0.002 0.000 1.725 371 C CB -1.227 26.512 27.740 -0.001 0.000 1.926 371 C HN 0.658 nan 8.230 nan 0.000 0.595 372 T N -2.504 112.050 114.554 -0.001 0.000 3.033 372 T HA 0.135 4.485 4.350 -0.000 0.000 0.248 372 T C 1.707 176.406 174.700 -0.001 0.000 1.040 372 T CA 0.611 62.710 62.100 -0.001 0.000 1.133 372 T CB -0.171 68.697 68.868 0.000 0.000 0.895 372 T HN 0.385 nan 8.240 nan 0.000 0.465 373 I N 1.704 122.272 120.570 -0.002 0.000 2.127 373 I HA -0.145 4.025 4.170 -0.000 0.000 0.241 373 I C 2.678 178.794 176.117 -0.002 0.000 1.075 373 I CA 1.864 63.163 61.300 -0.003 0.000 1.334 373 I CB -0.378 37.619 38.000 -0.004 0.000 1.040 373 I HN 0.401 nan 8.210 nan 0.000 0.405 374 E N -0.628 119.570 120.200 -0.002 0.000 2.318 374 E HA -0.017 4.333 4.350 -0.000 0.000 0.193 374 E C 0.337 176.936 176.600 -0.002 0.000 0.998 374 E CA 0.344 56.743 56.400 -0.002 0.000 0.859 374 E CB 0.401 30.100 29.700 -0.002 0.000 0.812 374 E HN 0.327 nan 8.360 nan 0.000 0.492 375 D N -0.429 119.970 120.400 -0.002 0.000 2.616 375 D HA 0.174 4.814 4.640 -0.000 0.000 0.238 375 D C -1.072 175.227 176.300 -0.001 0.000 1.354 375 D CA -0.214 53.785 54.000 -0.001 0.000 0.970 375 D CB 1.682 42.481 40.800 -0.002 0.000 1.369 375 D HN 0.098 nan 8.370 nan 0.000 0.585 376 G N 3.138 111.937 108.800 -0.001 0.000 3.818 376 G HA2 0.415 4.375 3.960 -0.000 0.000 0.338 376 G HA3 0.415 4.375 3.960 -0.000 0.000 0.338 376 G C 0.006 174.906 174.900 0.001 0.000 1.318 376 G CA -0.408 44.692 45.100 -0.000 0.000 1.242 376 G HN 0.362 nan 8.290 nan 0.000 0.493 377 R N 1.747 122.248 120.500 0.001 0.000 3.958 377 R HA 0.097 4.437 4.340 -0.000 0.000 0.304 377 R C -1.555 174.748 176.300 0.004 0.000 1.016 377 R CA -0.474 55.627 56.100 0.002 0.000 1.222 377 R CB 0.502 30.803 30.300 0.001 0.000 1.304 377 R HN 0.488 nan 8.270 nan 0.000 0.462 378 I N 1.724 122.298 120.570 0.006 0.000 2.468 378 I HA 0.414 4.584 4.170 -0.000 0.000 0.285 378 I C -0.827 175.298 176.117 0.013 0.000 1.039 378 I CA -0.897 60.408 61.300 0.008 0.000 1.074 378 I CB 1.895 39.900 38.000 0.007 0.000 1.228 378 I HN 0.160 nan 8.210 nan 0.000 0.436 379 V N 5.645 125.568 119.914 0.015 0.000 2.715 379 V HA 0.150 4.270 4.120 -0.000 0.000 0.299 379 V C 0.874 176.983 176.094 0.026 0.000 1.054 379 V CA 0.183 62.496 62.300 0.022 0.000 1.077 379 V CB 1.748 33.584 31.823 0.021 0.000 0.972 379 V HN 0.948 nan 8.190 nan 0.000 0.484 380 S N 4.982 120.705 115.700 0.038 0.000 2.544 380 S HA 0.226 4.696 4.470 -0.000 0.000 0.290 380 S C 0.698 175.321 174.600 0.038 0.000 1.276 380 S CA -0.027 58.197 58.200 0.040 0.000 1.075 380 S CB 0.734 63.975 63.200 0.069 0.000 0.849 380 S HN 1.076 nan 8.310 nan 0.000 0.494 381 G N 1.859 110.676 108.800 0.029 0.000 2.481 381 G HA2 0.439 4.399 3.960 -0.000 0.000 0.251 381 G HA3 0.439 4.399 3.960 -0.000 0.000 0.251 381 G C 1.249 176.167 174.900 0.030 0.000 1.492 381 G CA -0.289 44.827 45.100 0.025 0.000 1.060 381 G HN 1.588 nan 8.290 nan 0.000 0.553 382 G N -1.955 106.857 108.800 0.020 0.000 2.230 382 G HA2 0.200 4.160 3.960 -0.000 0.000 0.270 382 G HA3 0.200 4.160 3.960 -0.000 0.000 0.270 382 G C 1.378 176.286 174.900 0.013 0.000 0.987 382 G CA 1.535 46.642 45.100 0.011 0.000 0.664 382 G HN 2.515 nan 8.290 nan 0.000 0.539 383 G N -1.875 106.939 108.800 0.024 0.000 2.270 383 G HA2 0.039 3.999 3.960 -0.000 0.000 0.224 383 G HA3 0.039 3.999 3.960 -0.000 0.000 0.224 383 G C 0.845 175.781 174.900 0.060 0.000 1.079 383 G CA 1.007 46.122 45.100 0.026 0.000 0.807 383 G HN 1.282 nan 8.290 nan 0.000 0.492 384 S N -0.956 114.806 115.700 0.104 0.000 2.336 384 S HA -0.002 4.468 4.470 -0.000 0.000 0.216 384 S C 2.465 177.109 174.600 0.072 0.000 1.032 384 S CA 2.046 60.411 58.200 0.274 0.000 0.973 384 S CB -0.088 63.317 63.200 0.342 0.000 0.888 384 S HN 0.584 nan 8.310 nan 0.000 0.455 385 T N 2.806 117.380 114.554 0.034 0.000 3.035 385 T HA -0.008 4.342 4.350 -0.000 0.000 0.268 385 T C 1.653 176.306 174.700 -0.078 0.000 1.109 385 T CA 0.687 62.760 62.100 -0.045 0.000 1.119 385 T CB -0.106 68.761 68.868 -0.001 0.000 0.900 385 T HN 0.493 nan 8.240 nan 0.000 0.503 386 E N 1.276 121.444 120.200 -0.053 0.000 2.021 386 E HA -0.036 4.314 4.350 -0.000 0.000 0.189 386 E C 2.403 178.966 176.600 -0.062 0.000 0.980 386 E CA 0.878 57.253 56.400 -0.042 0.000 0.803 386 E CB -0.963 28.725 29.700 -0.020 0.000 0.766 386 E HN 0.407 nan 8.360 nan 0.000 0.449 387 V N 1.765 121.638 119.914 -0.068 0.000 2.392 387 V HA -0.254 3.866 4.120 -0.000 0.000 0.249 387 V C 2.544 178.548 176.094 -0.151 0.000 1.059 387 V CA 2.277 64.533 62.300 -0.072 0.000 1.051 387 V CB -0.883 30.925 31.823 -0.024 0.000 0.658 387 V HN 0.242 nan 8.190 nan 0.000 0.455 388 E N 0.717 120.721 120.200 -0.327 0.000 2.051 388 E HA -0.112 4.238 4.350 -0.000 0.000 0.189 388 E C 2.106 178.592 176.600 -0.191 0.000 0.979 388 E CA 0.987 57.159 56.400 -0.380 0.000 0.803 388 E CB -0.328 28.873 29.700 -0.833 0.000 0.761 388 E HN 0.518 nan 8.360 nan 0.000 0.451 389 L N 0.653 121.790 121.223 -0.144 0.000 2.021 389 L HA -0.286 4.054 4.340 -0.000 0.000 0.215 389 L C 2.704 179.537 176.870 -0.061 0.000 1.074 389 L CA 1.614 56.400 54.840 -0.089 0.000 0.760 389 L CB -0.906 41.118 42.059 -0.058 0.000 0.889 389 L HN 0.273 nan 8.230 nan 0.000 0.433 390 S N 0.439 116.109 115.700 -0.051 0.000 2.380 390 S HA -0.302 4.168 4.470 -0.000 0.000 0.229 390 S C 1.995 176.584 174.600 -0.018 0.000 1.050 390 S CA 2.386 60.571 58.200 -0.026 0.000 1.100 390 S CB -0.315 62.868 63.200 -0.028 0.000 0.984 390 S HN 0.523 nan 8.310 nan 0.000 0.434 391 M N -0.630 118.954 119.600 -0.028 0.000 2.562 391 M HA 0.096 4.576 4.480 -0.000 0.000 0.257 391 M C 1.657 177.955 176.300 -0.005 0.000 1.099 391 M CA 1.398 56.691 55.300 -0.012 0.000 1.099 391 M CB -0.389 32.207 32.600 -0.007 0.000 1.427 391 M HN 0.215 nan 8.290 nan 0.000 0.489 392 K N 0.468 120.859 120.400 -0.015 0.000 2.099 392 K HA 0.094 4.414 4.320 -0.000 0.000 0.203 392 K C 1.999 178.617 176.600 0.030 0.000 1.047 392 K CA 0.538 56.824 56.287 -0.002 0.000 0.963 392 K CB 0.176 32.656 32.500 -0.033 0.000 0.759 392 K HN 0.255 nan 8.250 nan 0.000 0.451 393 L N 1.196 122.427 121.223 0.014 0.000 2.141 393 L HA -0.101 4.239 4.340 -0.000 0.000 0.209 393 L C 2.395 179.335 176.870 0.116 0.000 1.094 393 L CA 1.499 56.373 54.840 0.058 0.000 0.763 393 L CB -1.123 40.916 42.059 -0.034 0.000 0.908 393 L HN 0.205 nan 8.230 nan 0.000 0.437 394 R N 0.915 121.451 120.500 0.060 0.000 2.073 394 R HA -0.150 4.190 4.340 -0.000 0.000 0.234 394 R C 1.919 178.246 176.300 0.045 0.000 1.134 394 R CA 1.476 57.603 56.100 0.046 0.000 0.952 394 R CB -0.201 30.114 30.300 0.025 0.000 0.850 394 R HN 0.373 nan 8.270 nan 0.000 0.433 395 E N -0.595 119.636 120.200 0.051 0.000 2.338 395 E HA -0.222 4.128 4.350 -0.000 0.000 0.197 395 E C 1.363 177.996 176.600 0.055 0.000 1.007 395 E CA 1.004 57.429 56.400 0.041 0.000 0.849 395 E CB -0.118 29.603 29.700 0.034 0.000 0.774 395 E HN 0.544 nan 8.360 nan 0.000 0.506 396 Y N 1.011 121.296 120.300 -0.026 0.000 2.490 396 Y HA 0.180 4.730 4.550 -0.000 0.000 0.285 396 Y C 2.181 178.063 175.900 -0.029 0.000 1.117 396 Y CA 0.521 58.602 58.100 -0.031 0.000 1.262 396 Y CB -0.023 38.410 38.460 -0.045 0.000 1.043 396 Y HN -0.035 nan 8.280 nan 0.000 0.553 397 A N 0.732 123.479 122.820 -0.121 0.000 1.841 397 A HA -0.266 4.054 4.320 -0.000 0.000 0.216 397 A C 2.053 179.537 177.584 -0.166 0.000 1.199 397 A CA 2.136 54.079 52.037 -0.156 0.000 0.621 397 A CB -0.935 18.045 19.000 -0.033 0.000 0.835 397 A HN 0.558 nan 8.150 nan 0.000 0.445 398 E N -0.561 119.581 120.200 -0.096 0.000 2.409 398 E HA 0.096 4.446 4.350 -0.000 0.000 0.198 398 E C 1.686 178.226 176.600 -0.100 0.000 1.024 398 E CA 0.306 56.661 56.400 -0.075 0.000 0.861 398 E CB -0.460 29.217 29.700 -0.040 0.000 0.788 398 E HN 0.624 nan 8.360 nan 0.000 0.521 399 G N 2.310 111.018 108.800 -0.154 0.000 3.725 399 G HA2 -0.415 3.545 3.960 -0.000 0.000 0.331 399 G HA3 -0.415 3.545 3.960 -0.000 0.000 0.331 399 G C 1.278 176.042 174.900 -0.228 0.000 0.871 399 G CA 1.547 46.484 45.100 -0.271 0.000 0.725 399 G HN 0.479 nan 8.290 nan 0.000 1.346 400 I N -0.901 119.489 120.570 -0.300 0.000 2.361 400 I HA 0.070 4.240 4.170 -0.000 0.000 0.251 400 I C 1.316 177.364 176.117 -0.116 0.000 1.133 400 I CA 1.380 62.545 61.300 -0.224 0.000 1.413 400 I CB -1.182 36.656 38.000 -0.271 0.000 1.073 400 I HN 1.458 nan 8.210 nan 0.000 0.424 401 S N 0.601 116.248 115.700 -0.087 0.000 3.465 401 S HA 0.102 4.572 4.470 -0.000 0.000 0.849 401 S C 0.220 174.803 174.600 -0.028 0.000 1.200 401 S CA 0.322 58.493 58.200 -0.048 0.000 0.947 401 S CB -1.728 61.450 63.200 -0.037 0.000 0.609 401 S HN 2.422 nan 8.310 nan 0.000 0.300 402 G N 3.089 111.881 108.800 -0.014 0.000 2.860 402 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.553 402 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.553 402 G C 0.316 175.222 174.900 0.009 0.000 1.439 402 G CA 0.635 45.734 45.100 -0.001 0.000 0.879 402 G HN 1.920 nan 8.290 nan 0.000 0.545 403 R N 0.220 120.730 120.500 0.017 0.000 2.294 403 R HA -0.139 4.201 4.340 -0.000 0.000 0.250 403 R C 1.979 178.305 176.300 0.043 0.000 1.181 403 R CA 2.020 58.137 56.100 0.028 0.000 1.016 403 R CB -0.222 30.095 30.300 0.027 0.000 0.869 403 R HN 0.612 nan 8.270 nan 0.000 0.476 404 E N 1.235 121.458 120.200 0.040 0.000 2.110 404 E HA -0.230 4.120 4.350 -0.000 0.000 0.193 404 E C 1.925 178.555 176.600 0.049 0.000 0.988 404 E CA 1.101 57.534 56.400 0.055 0.000 0.804 404 E CB -0.168 29.561 29.700 0.047 0.000 0.745 404 E HN 0.399 nan 8.360 nan 0.000 0.458 405 Q N 0.251 120.060 119.800 0.015 0.000 2.156 405 Q HA -0.255 4.085 4.340 -0.000 0.000 0.211 405 Q C 1.631 177.655 176.000 0.041 0.000 0.995 405 Q CA 1.755 57.560 55.803 0.003 0.000 0.877 405 Q CB -0.076 28.657 28.738 -0.008 0.000 0.920 405 Q HN 0.313 nan 8.270 nan 0.000 0.416 406 L N -0.270 120.992 121.223 0.064 0.000 2.375 406 L HA 0.127 4.467 4.340 -0.000 0.000 0.215 406 L C 2.318 179.282 176.870 0.157 0.000 1.108 406 L CA 0.932 55.822 54.840 0.084 0.000 0.830 406 L CB -0.670 41.426 42.059 0.062 0.000 0.959 406 L HN 0.129 nan 8.230 nan 0.000 0.457 407 A N 0.812 123.773 122.820 0.234 0.000 1.845 407 A HA -0.166 4.154 4.320 -0.000 0.000 0.215 407 A C 2.392 180.135 177.584 0.265 0.000 1.195 407 A CA 2.442 54.814 52.037 0.559 0.000 0.616 407 A CB -1.149 18.153 19.000 0.503 0.000 0.832 407 A HN 0.269 nan 8.150 nan 0.000 0.443 408 V N -2.147 117.834 119.914 0.111 0.000 2.548 408 V HA -0.124 3.996 4.120 -0.000 0.000 0.249 408 V C 2.214 178.307 176.094 -0.003 0.000 1.055 408 V CA 1.993 64.276 62.300 -0.028 0.000 1.065 408 V CB -0.942 30.911 31.823 0.050 0.000 0.681 408 V HN 0.485 nan 8.190 nan 0.000 0.462 409 R N 0.821 121.347 120.500 0.043 0.000 2.083 409 R HA -0.058 4.282 4.340 -0.000 0.000 0.237 409 R C 2.545 178.876 176.300 0.051 0.000 1.137 409 R CA 1.791 57.918 56.100 0.045 0.000 0.951 409 R CB -0.742 29.587 30.300 0.048 0.000 0.851 409 R HN 0.637 nan 8.270 nan 0.000 0.434 410 A N 0.029 122.897 122.820 0.080 0.000 1.972 410 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 410 A C 1.818 179.437 177.584 0.058 0.000 1.169 410 A CA 1.000 53.100 52.037 0.104 0.000 0.635 410 A CB -0.457 18.659 19.000 0.193 0.000 0.810 410 A HN 0.381 nan 8.150 nan 0.000 0.446 411 F N 0.329 120.124 119.950 -0.258 0.000 2.615 411 F HA 0.285 4.812 4.527 0.000 0.000 0.297 411 F C 2.242 177.932 175.800 -0.183 0.000 1.124 411 F CA 0.118 57.904 58.000 -0.357 0.000 1.451 411 F CB -0.370 38.134 39.000 -0.827 0.000 1.103 411 F HN 0.235 nan 8.300 nan 0.000 0.569 412 A N -0.139 122.742 122.820 0.103 0.000 1.874 412 A HA -0.093 4.227 4.320 -0.000 0.000 0.214 412 A C 1.844 179.444 177.584 0.026 0.000 1.189 412 A CA 1.660 53.736 52.037 0.065 0.000 0.615 412 A CB -0.887 18.135 19.000 0.037 0.000 0.830 412 A HN 0.280 nan 8.150 nan 0.000 0.443 413 D N -0.113 120.299 120.400 0.020 0.000 2.264 413 D HA 0.082 4.722 4.640 -0.000 0.000 0.208 413 D C 1.953 178.246 176.300 -0.012 0.000 0.966 413 D CA 1.143 55.146 54.000 0.006 0.000 0.864 413 D CB -0.034 40.774 40.800 0.014 0.000 0.933 413 D HN 0.433 nan 8.370 nan 0.000 0.499 414 A N 0.215 123.015 122.820 -0.035 0.000 1.935 414 A HA 0.004 4.324 4.320 -0.000 0.000 0.214 414 A C 2.033 179.559 177.584 -0.096 0.000 1.178 414 A CA 0.878 52.867 52.037 -0.080 0.000 0.640 414 A CB -0.675 18.268 19.000 -0.095 0.000 0.825 414 A HN 0.308 nan 8.150 nan 0.000 0.447 415 L N -1.246 119.931 121.223 -0.076 0.000 2.397 415 L HA -0.405 3.935 4.340 -0.000 0.000 0.225 415 L C 1.804 178.653 176.870 -0.034 0.000 1.116 415 L CA 2.917 57.737 54.840 -0.033 0.000 0.850 415 L CB -1.339 40.716 42.059 -0.006 0.000 0.919 415 L HN 0.421 nan 8.230 nan 0.000 0.453 416 E N 0.097 120.279 120.200 -0.031 0.000 2.086 416 E HA -0.074 4.276 4.350 -0.000 0.000 0.190 416 E C 2.387 178.972 176.600 -0.026 0.000 0.975 416 E CA 1.341 57.728 56.400 -0.023 0.000 0.813 416 E CB -0.060 29.631 29.700 -0.016 0.000 0.768 416 E HN 0.637 nan 8.360 nan 0.000 0.457 417 V N 0.349 120.242 119.914 -0.034 0.000 2.439 417 V HA -0.280 3.840 4.120 -0.000 0.000 0.253 417 V C 2.139 178.214 176.094 -0.032 0.000 1.074 417 V CA 1.378 63.658 62.300 -0.033 0.000 1.076 417 V CB -0.680 31.120 31.823 -0.038 0.000 0.664 417 V HN 0.113 nan 8.190 nan 0.000 0.461 418 I N 0.354 120.904 120.570 -0.034 0.000 2.406 418 I HA 0.029 4.199 4.170 -0.000 0.000 0.249 418 I C -0.082 176.019 176.117 -0.026 0.000 1.122 418 I CA 0.480 61.762 61.300 -0.030 0.000 1.431 418 I CB -1.705 36.278 38.000 -0.029 0.000 1.087 418 I HN 0.325 nan 8.210 nan 0.000 0.424 419 P HA -0.056 nan 4.420 nan 0.000 0.225 419 P C 1.841 179.129 177.300 -0.020 0.000 1.156 419 P CA 1.126 64.215 63.100 -0.017 0.000 0.787 419 P CB 0.121 31.816 31.700 -0.008 0.000 0.802 420 R N -0.797 119.690 120.500 -0.021 0.000 2.048 420 R HA -0.061 4.279 4.340 -0.000 0.000 0.224 420 R C 1.862 178.148 176.300 -0.024 0.000 1.163 420 R CA 1.872 57.960 56.100 -0.020 0.000 0.956 420 R CB -1.067 29.223 30.300 -0.018 0.000 0.849 420 R HN 0.084 nan 8.270 nan 0.000 0.435 421 T N 0.903 115.442 114.554 -0.025 0.000 3.037 421 T HA -0.322 4.028 4.350 -0.000 0.000 0.123 421 T C 1.591 176.270 174.700 -0.034 0.000 1.771 421 T CA 2.759 64.842 62.100 -0.029 0.000 0.871 421 T CB -1.083 67.769 68.868 -0.027 0.000 0.921 421 T HN 0.148 nan 8.240 nan 0.000 0.425 422 L N 2.305 123.505 121.223 -0.039 0.000 2.123 422 L HA -0.106 4.234 4.340 -0.000 0.000 0.217 422 L C 3.366 180.201 176.870 -0.059 0.000 1.081 422 L CA 2.665 57.474 54.840 -0.052 0.000 0.772 422 L CB -2.315 39.713 42.059 -0.052 0.000 0.890 422 L HN 0.820 nan 8.230 nan 0.000 0.437 423 A N -0.858 121.935 122.820 -0.046 0.000 1.841 423 A HA -0.204 4.116 4.320 -0.000 0.000 0.214 423 A C 2.316 179.877 177.584 -0.038 0.000 1.195 423 A CA 1.448 53.459 52.037 -0.042 0.000 0.611 423 A CB -0.626 18.357 19.000 -0.028 0.000 0.835 423 A HN 0.438 nan 8.150 nan 0.000 0.443 424 E N 0.121 120.303 120.200 -0.030 0.000 2.130 424 E HA -0.230 4.120 4.350 -0.000 0.000 0.196 424 E C 1.765 178.349 176.600 -0.027 0.000 0.998 424 E CA 1.376 57.762 56.400 -0.024 0.000 0.806 424 E CB -0.214 29.473 29.700 -0.021 0.000 0.738 424 E HN 0.675 nan 8.360 nan 0.000 0.459 425 N N 0.715 119.395 118.700 -0.034 0.000 2.149 425 N HA -0.173 4.567 4.740 -0.000 0.000 0.188 425 N C 1.562 177.049 175.510 -0.038 0.000 1.019 425 N CA 1.231 54.260 53.050 -0.035 0.000 0.857 425 N CB -0.373 38.092 38.487 -0.038 0.000 0.997 425 N HN 0.082 nan 8.380 nan 0.000 0.426 426 A N 0.273 123.063 122.820 -0.049 0.000 2.239 426 A HA 0.365 4.685 4.320 -0.000 0.000 0.209 426 A C 1.819 179.386 177.584 -0.029 0.000 1.171 426 A CA 0.943 52.951 52.037 -0.049 0.000 0.768 426 A CB -0.794 18.160 19.000 -0.076 0.000 0.790 426 A HN 0.429 nan 8.150 nan 0.000 0.478 427 G N -0.957 107.829 108.800 -0.023 0.000 2.302 427 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.263 427 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.263 427 G C 0.402 175.294 174.900 -0.013 0.000 0.995 427 G CA 0.439 45.529 45.100 -0.016 0.000 0.622 427 G HN 0.488 nan 8.290 nan 0.000 0.538 428 L N 1.079 122.293 121.223 -0.016 0.000 2.536 428 L HA 0.069 4.409 4.340 -0.000 0.000 0.294 428 L C 0.543 177.407 176.870 -0.011 0.000 1.257 428 L CA 0.340 55.173 54.840 -0.012 0.000 0.850 428 L CB 0.258 42.309 42.059 -0.013 0.000 1.105 428 L HN 0.202 nan 8.230 nan 0.000 0.517 429 D N 2.073 122.469 120.400 -0.007 0.000 2.352 429 D HA 0.212 4.852 4.640 -0.000 0.000 0.245 429 D C 0.894 177.190 176.300 -0.006 0.000 1.224 429 D CA 0.679 54.676 54.000 -0.006 0.000 0.879 429 D CB 1.302 42.100 40.800 -0.003 0.000 1.057 429 D HN 0.665 nan 8.370 nan 0.000 0.491 430 A N 5.166 127.981 122.820 -0.009 0.000 1.534 430 A HA -0.321 3.999 4.320 -0.000 0.000 0.355 430 A C 2.029 179.611 177.584 -0.004 0.000 4.590 430 A CA 2.458 54.490 52.037 -0.007 0.000 1.005 430 A CB -1.320 17.674 19.000 -0.010 0.000 0.635 430 A HN 0.759 nan 8.150 nan 0.000 0.506 431 I N 0.126 120.695 120.570 -0.002 0.000 2.761 431 I HA -0.121 4.049 4.170 -0.000 0.000 0.261 431 I C 1.954 178.072 176.117 0.002 0.000 1.198 431 I CA 2.205 63.505 61.300 -0.000 0.000 1.482 431 I CB -0.890 37.110 38.000 0.000 0.000 1.100 431 I HN 0.691 nan 8.210 nan 0.000 0.445 432 E N 1.929 122.130 120.200 0.002 0.000 2.021 432 E HA -0.264 4.086 4.350 -0.000 0.000 0.200 432 E C 2.250 178.854 176.600 0.005 0.000 1.015 432 E CA 2.085 58.488 56.400 0.004 0.000 0.824 432 E CB -0.425 29.278 29.700 0.004 0.000 0.762 432 E HN 0.516 nan 8.360 nan 0.000 0.454 433 I N 1.218 121.790 120.570 0.004 0.000 2.202 433 I HA -0.250 3.920 4.170 -0.000 0.000 0.242 433 I C 2.401 178.524 176.117 0.010 0.000 1.091 433 I CA 0.642 61.946 61.300 0.006 0.000 1.368 433 I CB -0.356 37.645 38.000 0.002 0.000 1.058 433 I HN 0.152 nan 8.210 nan 0.000 0.410 434 L N 0.555 121.782 121.223 0.007 0.000 2.082 434 L HA -0.297 4.043 4.340 -0.000 0.000 0.223 434 L C 2.553 179.432 176.870 0.014 0.000 1.086 434 L CA 2.019 56.864 54.840 0.010 0.000 0.793 434 L CB -1.435 40.626 42.059 0.004 0.000 0.896 434 L HN 0.226 nan 8.230 nan 0.000 0.441 435 V N -0.893 119.028 119.914 0.012 0.000 3.141 435 V HA -0.170 3.950 4.120 -0.000 0.000 0.265 435 V C 2.188 178.292 176.094 0.017 0.000 1.126 435 V CA 1.213 63.521 62.300 0.014 0.000 1.141 435 V CB -0.643 31.187 31.823 0.011 0.000 0.743 435 V HN 0.506 nan 8.190 nan 0.000 0.492 436 K N -0.235 120.176 120.400 0.018 0.000 2.356 436 K HA 0.139 4.459 4.320 -0.000 0.000 0.195 436 K C 1.773 178.390 176.600 0.027 0.000 1.037 436 K CA 0.471 56.769 56.287 0.019 0.000 1.014 436 K CB 0.335 32.844 32.500 0.015 0.000 0.815 436 K HN 0.352 nan 8.250 nan 0.000 0.507 437 V N 1.005 120.940 119.914 0.035 0.000 2.581 437 V HA -0.028 4.092 4.120 -0.000 0.000 0.240 437 V C 2.117 178.266 176.094 0.091 0.000 1.054 437 V CA 0.653 62.988 62.300 0.058 0.000 1.076 437 V CB -0.270 31.589 31.823 0.060 0.000 0.748 437 V HN 0.174 nan 8.190 nan 0.000 0.474 438 R N 0.753 121.291 120.500 0.064 0.000 2.154 438 R HA -0.298 4.042 4.340 -0.000 0.000 0.236 438 R C 2.451 178.791 176.300 0.068 0.000 1.121 438 R CA 2.080 58.215 56.100 0.058 0.000 0.915 438 R CB -1.007 29.310 30.300 0.029 0.000 0.856 438 R HN 0.506 nan 8.270 nan 0.000 0.431 439 A N 0.885 123.732 122.820 0.046 0.000 1.954 439 A HA -0.285 4.035 4.320 -0.000 0.000 0.222 439 A C 2.364 179.976 177.584 0.048 0.000 1.199 439 A CA 2.452 54.512 52.037 0.039 0.000 0.657 439 A CB -0.804 18.212 19.000 0.026 0.000 0.823 439 A HN 0.568 nan 8.150 nan 0.000 0.463 440 A N -2.232 120.619 122.820 0.052 0.000 1.929 440 A HA -0.072 4.248 4.320 -0.000 0.000 0.216 440 A C 2.011 179.620 177.584 0.042 0.000 1.176 440 A CA 1.699 53.755 52.037 0.032 0.000 0.628 440 A CB -0.711 18.296 19.000 0.011 0.000 0.816 440 A HN 0.774 nan 8.150 nan 0.000 0.444 441 H N -0.918 118.153 119.070 0.003 0.000 2.403 441 H HA 0.171 4.727 4.556 -0.000 0.000 0.298 441 H C 2.162 177.492 175.328 0.002 0.000 1.059 441 H CA 0.789 56.838 56.048 0.002 0.000 1.363 441 H CB 0.069 29.831 29.762 0.001 0.000 1.410 441 H HN 0.474 nan 8.280 nan 0.000 0.528 442 A N -0.594 122.319 122.820 0.154 0.000 2.216 442 A HA -0.078 4.242 4.320 -0.000 0.000 0.214 442 A C 1.866 179.487 177.584 0.060 0.000 1.160 442 A CA 1.591 53.679 52.037 0.085 0.000 0.725 442 A CB -0.049 18.981 19.000 0.051 0.000 0.784 442 A HN 0.415 nan 8.150 nan 0.000 0.472 443 S N -1.680 114.053 115.700 0.055 0.000 2.619 443 S HA 0.084 4.554 4.470 -0.000 0.000 0.238 443 S C 1.337 175.945 174.600 0.013 0.000 1.068 443 S CA 0.245 58.462 58.200 0.029 0.000 0.926 443 S CB -0.032 63.181 63.200 0.022 0.000 0.864 443 S HN 0.668 nan 8.310 nan 0.000 0.493 444 N N 0.885 119.585 118.700 0.000 0.000 2.349 444 N HA 0.483 5.223 4.740 -0.000 0.000 0.202 444 N C 0.724 176.220 175.510 -0.024 0.000 1.041 444 N CA 0.895 53.928 53.050 -0.028 0.000 0.970 444 N CB 0.268 38.719 38.487 -0.060 0.000 1.173 444 N HN 0.412 nan 8.380 nan 0.000 0.493 445 G N -0.970 107.796 108.800 -0.056 0.000 2.327 445 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.291 445 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.291 445 G C -0.785 174.087 174.900 -0.046 0.000 1.290 445 G CA -0.221 44.877 45.100 -0.003 0.000 0.857 445 G HN 0.320 nan 8.290 nan 0.000 0.520 446 N N 0.634 119.370 118.700 0.060 0.000 2.084 446 N HA -0.128 4.612 4.740 -0.000 0.000 0.190 446 N C 1.988 177.536 175.510 0.063 0.000 1.030 446 N CA 1.992 55.152 53.050 0.183 0.000 0.849 446 N CB -0.392 38.154 38.487 0.097 0.000 1.012 446 N HN 0.809 nan 8.380 nan 0.000 0.423 447 K N 0.104 120.493 120.400 -0.019 0.000 1.988 447 K HA -0.178 4.142 4.320 -0.000 0.000 0.221 447 K C 0.452 176.986 176.600 -0.110 0.000 1.053 447 K CA 1.409 57.670 56.287 -0.044 0.000 0.959 447 K CB -0.996 31.488 32.500 -0.028 0.000 0.728 447 K HN 0.311 nan 8.250 nan 0.000 0.447 448 C N 1.116 120.309 119.300 -0.179 0.000 2.265 448 C HA 0.706 5.166 4.460 -0.000 0.000 0.332 448 C C 0.119 174.892 174.990 -0.362 0.000 1.248 448 C CA 0.207 59.105 59.018 -0.201 0.000 1.727 448 C CB -0.328 27.346 27.740 -0.110 0.000 2.348 448 C HN 0.641 nan 8.230 nan 0.000 0.519 449 A N 4.401 127.055 122.820 -0.276 0.000 2.282 449 A HA 0.327 4.647 4.320 -0.000 0.000 0.224 449 A C 0.120 177.710 177.584 0.010 0.000 2.886 449 A CA 0.259 52.109 52.037 -0.311 0.000 1.751 449 A CB -1.515 17.375 19.000 -0.183 0.000 0.181 449 A HN 1.522 nan 8.150 nan 0.000 0.689 450 G N -0.879 107.924 108.800 0.004 0.000 2.971 450 G HA2 0.671 4.631 3.960 -0.000 0.000 0.235 450 G HA3 0.671 4.631 3.960 -0.000 0.000 0.235 450 G C -0.594 174.324 174.900 0.030 0.000 1.351 450 G CA -0.729 44.395 45.100 0.040 0.000 1.039 450 G HN 0.658 nan 8.290 nan 0.000 0.563 451 L N 0.792 122.024 121.223 0.016 0.000 2.502 451 L HA 0.292 4.632 4.340 -0.000 0.000 0.249 451 L C -0.096 176.760 176.870 -0.022 0.000 1.446 451 L CA -0.576 54.264 54.840 0.000 0.000 0.887 451 L CB 0.891 42.948 42.059 -0.003 0.000 1.126 451 L HN 0.552 nan 8.230 nan 0.000 0.509 452 N N 0.090 118.789 118.700 -0.001 0.000 2.411 452 N HA -0.011 4.729 4.740 -0.000 0.000 0.265 452 N C 1.356 176.831 175.510 -0.059 0.000 1.266 452 N CA 0.268 53.323 53.050 0.008 0.000 0.889 452 N CB 1.256 39.803 38.487 0.099 0.000 1.069 452 N HN 0.320 nan 8.380 nan 0.000 0.476 453 V N 3.279 123.049 119.914 -0.240 0.000 3.078 453 V HA -0.025 4.095 4.120 -0.000 0.000 0.265 453 V C 0.840 176.769 176.094 -0.275 0.000 1.122 453 V CA 1.403 63.485 62.300 -0.364 0.000 1.141 453 V CB -1.053 30.419 31.823 -0.584 0.000 0.735 453 V HN 0.635 nan 8.190 nan 0.000 0.498 454 F N 0.521 120.471 119.950 0.000 0.000 2.453 454 F HA 0.260 4.787 4.527 0.000 0.000 0.284 454 F C 2.516 178.315 175.800 -0.001 0.000 1.065 454 F CA 1.581 59.581 58.000 -0.001 0.000 1.411 454 F CB -0.542 38.458 39.000 -0.001 0.000 1.131 454 F HN 0.067 nan 8.300 nan 0.000 0.582 455 T N -1.289 113.404 114.554 0.233 0.000 3.037 455 T HA 0.226 4.576 4.350 -0.000 0.000 0.252 455 T C 0.743 175.484 174.700 0.069 0.000 1.073 455 T CA 0.732 62.907 62.100 0.125 0.000 1.091 455 T CB -0.505 68.420 68.868 0.095 0.000 0.935 455 T HN 0.361 nan 8.240 nan 0.000 0.488 456 G N 1.941 110.774 108.800 0.055 0.000 2.261 456 G HA2 0.195 4.154 3.960 -0.000 0.000 0.220 456 G HA3 0.195 4.154 3.960 -0.000 0.000 0.220 456 G C -0.094 174.818 174.900 0.021 0.000 0.572 456 G CA 0.103 45.216 45.100 0.022 0.000 1.011 456 G HN 0.894 nan 8.290 nan 0.000 0.328 457 A N 1.445 124.277 122.820 0.020 0.000 2.515 457 A HA 0.860 5.180 4.320 -0.000 0.000 0.292 457 A C -0.151 177.444 177.584 0.017 0.000 1.065 457 A CA 0.129 52.177 52.037 0.019 0.000 0.641 457 A CB 0.963 19.976 19.000 0.022 0.000 1.306 457 A HN 2.046 nan 8.150 nan 0.000 0.441 458 V N 0.191 120.113 119.914 0.014 0.000 2.775 458 V HA 0.626 4.746 4.120 -0.000 0.000 0.299 458 V C 0.129 176.227 176.094 0.006 0.000 1.062 458 V CA 0.796 63.103 62.300 0.011 0.000 1.063 458 V CB 1.360 33.189 31.823 0.010 0.000 0.994 458 V HN 1.130 nan 8.190 nan 0.000 0.483 459 E N 2.925 123.125 120.200 -0.001 0.000 2.445 459 E HA 0.335 4.685 4.350 -0.000 0.000 0.279 459 E C -1.548 175.038 176.600 -0.024 0.000 1.018 459 E CA -0.616 55.783 56.400 -0.002 0.000 0.816 459 E CB 1.689 31.400 29.700 0.018 0.000 1.356 459 E HN 0.628 nan 8.360 nan 0.000 0.462 460 D N 3.213 123.599 120.400 -0.023 0.000 2.639 460 D HA 0.109 4.749 4.640 -0.000 0.000 0.233 460 D C 0.786 177.076 176.300 -0.017 0.000 1.161 460 D CA -0.111 53.867 54.000 -0.036 0.000 1.003 460 D CB 0.161 40.944 40.800 -0.029 0.000 1.034 460 D HN 0.447 nan 8.370 nan 0.000 0.514 461 M N 0.555 120.147 119.600 -0.013 0.000 2.146 461 M HA -0.254 4.226 4.480 -0.000 0.000 0.256 461 M C 2.237 178.539 176.300 0.003 0.000 1.075 461 M CA 0.808 56.110 55.300 0.004 0.000 1.082 461 M CB -1.401 31.207 32.600 0.013 0.000 1.355 461 M HN 0.450 nan 8.290 nan 0.000 0.402 462 C N 1.013 120.310 119.300 -0.005 0.000 2.458 462 C HA -0.222 4.238 4.460 -0.000 0.000 0.284 462 C C 2.639 177.628 174.990 -0.002 0.000 1.191 462 C CA 1.555 60.571 59.018 -0.004 0.000 1.781 462 C CB -1.059 26.676 27.740 -0.008 0.000 1.996 462 C HN 0.583 nan 8.230 nan 0.000 0.431 463 E N -0.081 120.115 120.200 -0.007 0.000 2.171 463 E HA -0.246 4.104 4.350 -0.000 0.000 0.197 463 E C 1.715 178.315 176.600 -0.001 0.000 0.997 463 E CA 1.565 57.962 56.400 -0.005 0.000 0.810 463 E CB -0.461 29.234 29.700 -0.008 0.000 0.738 463 E HN 0.688 nan 8.360 nan 0.000 0.467 464 N N -0.361 118.342 118.700 0.004 0.000 2.069 464 N HA -0.109 4.630 4.740 -0.000 0.000 0.191 464 N C 0.720 176.236 175.510 0.009 0.000 1.031 464 N CA 0.827 53.883 53.050 0.010 0.000 0.852 464 N CB 0.054 38.555 38.487 0.024 0.000 1.018 464 N HN 0.224 nan 8.380 nan 0.000 0.423 465 G N 0.347 109.153 108.800 0.011 0.000 2.545 465 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.279 465 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.279 465 G C -0.154 174.760 174.900 0.022 0.000 1.131 465 G CA 0.231 45.339 45.100 0.013 0.000 1.100 465 G HN 0.526 nan 8.290 nan 0.000 0.525 466 V N -2.427 117.503 119.914 0.026 0.000 2.656 466 V HA 0.709 4.829 4.120 -0.000 0.000 0.312 466 V C 0.250 176.360 176.094 0.027 0.000 1.181 466 V CA -0.210 62.110 62.300 0.033 0.000 1.250 466 V CB 0.536 32.389 31.823 0.051 0.000 1.468 466 V HN 1.120 nan 8.190 nan 0.000 0.651 467 V N -0.305 119.621 119.914 0.021 0.000 3.001 467 V HA 0.749 4.869 4.120 -0.000 0.000 0.314 467 V C -0.216 175.887 176.094 0.016 0.000 1.099 467 V CA -0.815 61.496 62.300 0.018 0.000 0.989 467 V CB 1.989 33.821 31.823 0.015 0.000 1.040 467 V HN 0.674 nan 8.190 nan 0.000 0.434 468 E N 2.371 122.580 120.200 0.015 0.000 2.249 468 E HA 0.589 4.939 4.350 -0.000 0.000 0.263 468 E C -2.825 173.781 176.600 0.010 0.000 0.950 468 E CA -2.258 54.148 56.400 0.012 0.000 0.827 468 E CB 1.494 31.201 29.700 0.012 0.000 1.220 468 E HN 0.486 nan 8.360 nan 0.000 0.411 469 P HA -0.070 nan 4.420 nan 0.000 0.272 469 P C 0.120 177.423 177.300 0.005 0.000 1.254 469 P CA -0.346 62.757 63.100 0.005 0.000 0.795 469 P CB 0.658 32.360 31.700 0.004 0.000 1.022 470 L N -0.212 121.013 121.223 0.004 0.000 2.585 470 L HA 0.238 4.578 4.340 -0.000 0.000 0.226 470 L C 2.265 179.137 176.870 0.002 0.000 1.113 470 L CA 0.964 55.806 54.840 0.003 0.000 0.876 470 L CB -1.280 40.780 42.059 0.003 0.000 1.072 470 L HN 0.313 nan 8.230 nan 0.000 0.468 471 R N -1.446 119.056 120.500 0.002 0.000 2.105 471 R HA 0.105 4.445 4.340 -0.000 0.000 0.214 471 R C 1.149 177.450 176.300 0.002 0.000 1.091 471 R CA 1.190 57.291 56.100 0.001 0.000 1.007 471 R CB 0.394 30.694 30.300 0.001 0.000 0.912 471 R HN 0.072 nan 8.270 nan 0.000 0.450 472 V N -0.215 119.700 119.914 0.003 0.000 0.689 472 V HA -0.488 3.632 4.120 -0.000 0.000 0.092 472 V C 1.332 177.429 176.094 0.005 0.000 0.796 472 V CA 1.834 64.136 62.300 0.004 0.000 3.102 472 V CB -1.274 30.552 31.823 0.004 0.000 0.199 472 V HN 0.265 nan 8.190 nan 0.000 0.110 473 K N 1.023 121.426 120.400 0.005 0.000 2.097 473 K HA -0.084 4.236 4.320 -0.000 0.000 0.205 473 K C 2.295 178.899 176.600 0.006 0.000 1.050 473 K CA 2.144 58.435 56.287 0.005 0.000 0.938 473 K CB -0.709 31.794 32.500 0.005 0.000 0.718 473 K HN 1.055 nan 8.250 nan 0.000 0.442 474 T N -1.046 113.510 114.554 0.004 0.000 2.857 474 T HA -0.118 4.232 4.350 -0.000 0.000 0.266 474 T C 1.962 176.666 174.700 0.006 0.000 1.048 474 T CA 0.887 62.989 62.100 0.002 0.000 1.139 474 T CB -0.003 68.864 68.868 -0.002 0.000 0.874 474 T HN -0.046 nan 8.240 nan 0.000 0.455 475 Q N 1.261 121.065 119.800 0.007 0.000 2.302 475 Q HA 0.426 4.766 4.340 -0.000 0.000 0.202 475 Q C 2.084 178.091 176.000 0.012 0.000 0.936 475 Q CA 1.203 57.010 55.803 0.008 0.000 0.886 475 Q CB -0.478 28.263 28.738 0.005 0.000 0.986 475 Q HN 0.670 nan 8.270 nan 0.000 0.487 476 A N -0.869 121.958 122.820 0.012 0.000 2.252 476 A HA 0.219 4.539 4.320 -0.000 0.000 0.213 476 A C 1.642 179.237 177.584 0.019 0.000 1.188 476 A CA -0.074 51.970 52.037 0.011 0.000 0.863 476 A CB -0.161 18.843 19.000 0.007 0.000 0.893 476 A HN 0.327 nan 8.150 nan 0.000 0.495 477 I N 0.589 121.175 120.570 0.028 0.000 2.060 477 I HA -0.339 3.831 4.170 -0.000 0.000 0.233 477 I C 2.740 178.897 176.117 0.067 0.000 1.054 477 I CA 1.758 63.089 61.300 0.052 0.000 1.318 477 I CB -1.038 37.002 38.000 0.067 0.000 1.054 477 I HN 0.490 nan 8.210 nan 0.000 0.395 478 Q N 2.345 122.171 119.800 0.044 0.000 1.914 478 Q HA -0.277 4.063 4.340 -0.000 0.000 0.222 478 Q C 1.996 178.024 176.000 0.046 0.000 1.031 478 Q CA 2.793 58.620 55.803 0.040 0.000 0.886 478 Q CB -1.352 27.403 28.738 0.028 0.000 0.982 478 Q HN 0.581 nan 8.270 nan 0.000 0.417 479 S N -0.812 114.907 115.700 0.032 0.000 2.603 479 S HA 0.401 4.871 4.470 -0.000 0.000 0.220 479 S C 1.700 176.316 174.600 0.027 0.000 0.967 479 S CA 0.103 58.319 58.200 0.026 0.000 0.920 479 S CB 0.003 63.213 63.200 0.017 0.000 0.773 479 S HN 0.591 nan 8.310 nan 0.000 0.529 480 A N 1.816 124.656 122.820 0.033 0.000 1.887 480 A HA 0.627 4.947 4.320 -0.000 0.000 0.212 480 A C 2.435 180.046 177.584 0.045 0.000 1.198 480 A CA 0.868 52.922 52.037 0.029 0.000 0.628 480 A CB -1.314 17.696 19.000 0.017 0.000 0.847 480 A HN 0.759 nan 8.150 nan 0.000 0.449 481 A N -0.232 122.637 122.820 0.083 0.000 1.969 481 A HA -0.053 4.267 4.320 -0.000 0.000 0.218 481 A C 1.521 179.203 177.584 0.163 0.000 1.169 481 A CA 1.349 53.476 52.037 0.150 0.000 0.635 481 A CB -0.267 18.910 19.000 0.295 0.000 0.810 481 A HN 0.548 nan 8.150 nan 0.000 0.445 482 E N -0.798 119.468 120.200 0.110 0.000 2.496 482 E HA 0.143 4.493 4.350 -0.000 0.000 0.202 482 E C 0.740 177.370 176.600 0.050 0.000 1.021 482 E CA 0.288 56.739 56.400 0.084 0.000 1.015 482 E CB 0.361 30.101 29.700 0.065 0.000 1.102 482 E HN 0.495 nan 8.360 nan 0.000 0.452 483 S N 0.006 115.731 115.700 0.042 0.000 2.731 483 S HA -0.094 4.376 4.470 -0.000 0.000 0.244 483 S C 2.179 176.789 174.600 0.016 0.000 1.084 483 S CA 1.080 59.293 58.200 0.022 0.000 0.877 483 S CB -0.041 63.167 63.200 0.015 0.000 0.798 483 S HN 0.364 nan 8.310 nan 0.000 0.496 484 T N 1.749 116.315 114.554 0.020 0.000 2.624 484 T HA -0.277 4.073 4.350 -0.000 0.000 0.268 484 T C 1.787 176.494 174.700 0.012 0.000 1.041 484 T CA 2.030 64.138 62.100 0.014 0.000 1.159 484 T CB -1.192 67.678 68.868 0.004 0.000 0.863 484 T HN 0.767 nan 8.240 nan 0.000 0.434 485 E N 0.459 120.681 120.200 0.036 0.000 2.152 485 E HA -0.088 4.262 4.350 -0.000 0.000 0.192 485 E C 2.386 178.983 176.600 -0.004 0.000 0.983 485 E CA 0.787 57.198 56.400 0.018 0.000 0.818 485 E CB -0.353 29.380 29.700 0.056 0.000 0.758 485 E HN 0.612 nan 8.360 nan 0.000 0.467 486 M N 0.697 120.301 119.600 0.007 0.000 2.123 486 M HA -0.031 4.449 4.480 -0.000 0.000 0.263 486 M C 2.154 178.449 176.300 -0.010 0.000 1.069 486 M CA 1.137 56.437 55.300 -0.001 0.000 1.133 486 M CB -0.066 32.538 32.600 0.007 0.000 1.356 486 M HN 0.154 nan 8.290 nan 0.000 0.415 487 L N 0.050 121.267 121.223 -0.010 0.000 2.198 487 L HA -0.312 4.028 4.340 -0.000 0.000 0.218 487 L C 2.321 179.178 176.870 -0.023 0.000 1.084 487 L CA 1.348 56.178 54.840 -0.017 0.000 0.779 487 L CB -1.253 40.793 42.059 -0.022 0.000 0.890 487 L HN 0.368 nan 8.230 nan 0.000 0.439 488 L N -0.010 121.196 121.223 -0.028 0.000 2.056 488 L HA -0.193 4.147 4.340 -0.000 0.000 0.207 488 L C 2.907 179.749 176.870 -0.047 0.000 1.078 488 L CA 1.536 56.351 54.840 -0.043 0.000 0.749 488 L CB -0.235 41.786 42.059 -0.064 0.000 0.901 488 L HN 0.309 nan 8.230 nan 0.000 0.433 489 R N 0.700 121.175 120.500 -0.042 0.000 2.083 489 R HA -0.115 4.225 4.340 -0.000 0.000 0.237 489 R C 0.850 177.140 176.300 -0.017 0.000 1.137 489 R CA 1.122 57.198 56.100 -0.039 0.000 0.951 489 R CB -1.850 28.402 30.300 -0.079 0.000 0.851 489 R HN 0.226 nan 8.270 nan 0.000 0.434 490 I N 3.528 124.095 120.570 -0.006 0.000 3.045 490 I HA -0.122 4.048 4.170 -0.000 0.000 0.306 490 I C -0.020 176.105 176.117 0.014 0.000 1.232 490 I CA 1.052 62.356 61.300 0.007 0.000 1.415 490 I CB -0.076 37.926 38.000 0.003 0.000 1.364 490 I HN 0.554 nan 8.210 nan 0.000 0.538 491 D N 5.359 125.776 120.400 0.028 0.000 2.992 491 D HA 0.221 4.861 4.640 -0.000 0.000 0.372 491 D C -0.726 175.608 176.300 0.055 0.000 1.374 491 D CA -0.375 53.649 54.000 0.039 0.000 0.769 491 D CB 0.414 41.236 40.800 0.037 0.000 1.215 491 D HN 0.607 nan 8.370 nan 0.000 0.473 492 D N -0.232 120.204 120.400 0.060 0.000 2.414 492 D HA 0.159 4.799 4.640 -0.000 0.000 0.187 492 D C -1.762 174.583 176.300 0.075 0.000 1.255 492 D CA -0.479 53.562 54.000 0.068 0.000 0.825 492 D CB 1.462 42.290 40.800 0.046 0.000 1.912 492 D HN -0.095 nan 8.370 nan 0.000 0.530 493 V N 4.626 124.608 119.914 0.113 0.000 2.289 493 V HA 0.434 4.554 4.120 -0.000 0.000 0.272 493 V C 0.352 176.502 176.094 0.093 0.000 1.026 493 V CA -0.612 61.764 62.300 0.128 0.000 0.807 493 V CB 0.708 32.644 31.823 0.188 0.000 1.044 493 V HN 0.537 nan 8.190 nan 0.000 0.443 494 I N 4.034 124.629 120.570 0.042 0.000 2.312 494 I HA 0.733 4.903 4.170 -0.000 0.000 0.291 494 I C 0.593 176.723 176.117 0.022 0.000 1.031 494 I CA 0.166 61.469 61.300 0.006 0.000 1.293 494 I CB 1.106 39.103 38.000 -0.005 0.000 1.403 494 I HN 0.663 nan 8.210 nan 0.000 0.484 495 A N 4.828 127.658 122.820 0.017 0.000 2.532 495 A HA 0.998 5.318 4.320 -0.000 0.000 0.290 495 A C -0.558 177.039 177.584 0.022 0.000 1.143 495 A CA -0.105 51.953 52.037 0.035 0.000 0.728 495 A CB 1.814 20.869 19.000 0.090 0.000 1.317 495 A HN 0.757 nan 8.150 nan 0.000 0.414 496 A N -0.154 122.686 122.820 0.033 0.000 3.785 496 A HA 0.817 5.137 4.320 -0.000 0.000 0.171 496 A C -0.154 177.448 177.584 0.031 0.000 0.708 496 A CA 0.593 52.645 52.037 0.024 0.000 0.959 496 A CB -0.166 18.842 19.000 0.013 0.000 1.828 496 A HN 1.188 nan 8.150 nan 0.000 0.804 497 E N 0.000 120.215 120.200 0.024 0.000 2.725 497 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 497 E CA 0.000 56.414 56.400 0.023 0.000 0.976 497 E CB 0.000 29.709 29.700 0.016 0.000 0.812 497 E HN 0.000 nan 8.360 nan 0.000 0.440