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 1ecb_1_C DATA FIRST_RESID 1 DATA SEQUENCE CGIVGIAGVM PVNQSIYDAL TVLQHRGQDA AGIITIDANN CFRLRKANGL DATA SEQUENCE VSDVFEARHM QRLQGNMGIG HVRYPTAGSS SASEAQPFYV NSPYGITLAH DATA SEQUENCE NGNLTNAHEL RKKLFEEKRR HINTTSDSEI LLNIFASELD NFRHYPLEAD DATA SEQUENCE NIFAAIAATN RLIRGAYACV AMIIGHGMVA FRDPNGIRPL VLGKRDIDEN DATA SEQUENCE RTEYMVASES VALDTLGFDF LRDVAPGEAI YITEEGQLFT RQCADNPVSN DATA SEQUENCE PCLFEYVYFA RPDSFIDKIS VYSARVNMGT KLGEKIAREW EDLDIDVVIP DATA SEQUENCE IPETSCDIAL EIARILGKPY RQGFVKNRYV GRTFIMPGQQ LRRKSVRRKL DATA SEQUENCE NANRAEFRDK NVLLVDDSIV RGTTSEQIIE MAREAGAKKV YLASAAPEIR DATA SEQUENCE FPNVYGIDMP SATELIAHGR EVDEIRQIIG ADGLIFQDLN DLIDAVRAEN DATA SEQUENCE PDIQQFECSV FNGVYVTKDV DQGYLDFLDT LR 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 1 C HA 0.000 nan 4.460 nan 0.000 0.325 1 C C 0.000 174.927 174.990 -0.105 0.000 1.270 1 C CA 0.000 58.984 59.018 -0.056 0.000 1.963 1 C CB 0.000 27.706 27.740 -0.056 0.000 2.134 2 G N 0.424 109.054 108.800 -0.283 0.000 2.719 2 G HA2 0.803 4.764 3.960 0.001 0.000 0.298 2 G HA3 0.803 4.764 3.960 0.001 0.000 0.298 2 G C -1.357 173.458 174.900 -0.143 0.000 1.411 2 G CA -0.462 44.535 45.100 -0.172 0.000 0.991 2 G HN 1.237 nan 8.290 nan 0.000 0.509 3 I N -0.726 119.827 120.570 -0.029 0.000 2.785 3 I HA 0.917 5.088 4.170 0.001 0.000 0.302 3 I C -1.224 174.897 176.117 0.007 0.000 1.069 3 I CA -1.400 59.922 61.300 0.036 0.000 1.045 3 I CB 2.298 40.354 38.000 0.094 0.000 1.236 3 I HN 0.519 nan 8.210 nan 0.000 0.429 4 V N 2.758 122.679 119.914 0.011 0.000 3.147 4 V HA 0.989 5.110 4.120 0.001 0.000 0.306 4 V C -0.672 175.423 176.094 0.002 0.000 1.209 4 V CA 0.076 62.367 62.300 -0.015 0.000 1.023 4 V CB 2.229 34.023 31.823 -0.049 0.000 1.059 4 V HN 1.229 nan 8.190 nan 0.000 0.435 5 G N 4.418 113.212 108.800 -0.010 0.000 2.768 5 G HA2 0.680 4.641 3.960 0.001 0.000 0.297 5 G HA3 0.680 4.641 3.960 0.001 0.000 0.297 5 G C -1.924 172.973 174.900 -0.005 0.000 1.430 5 G CA -0.454 44.656 45.100 0.017 0.000 1.030 5 G HN 0.801 nan 8.290 nan 0.000 0.553 6 I N 1.053 121.632 120.570 0.015 0.000 2.533 6 I HA 0.613 4.784 4.170 0.001 0.000 0.290 6 I C 0.085 176.260 176.117 0.097 0.000 1.056 6 I CA -1.093 60.219 61.300 0.021 0.000 1.057 6 I CB 2.518 40.505 38.000 -0.021 0.000 1.240 6 I HN 0.634 nan 8.210 nan 0.000 0.423 7 A N 4.704 127.616 122.820 0.153 0.000 2.316 7 A HA 0.840 5.161 4.320 0.001 0.000 0.324 7 A C 0.007 177.700 177.584 0.182 0.000 1.375 7 A CA -0.324 51.808 52.037 0.160 0.000 0.882 7 A CB 0.595 19.698 19.000 0.171 0.000 1.152 7 A HN 0.872 nan 8.150 nan 0.000 0.512 8 G N -0.403 108.482 108.800 0.142 0.000 3.175 8 G HA2 0.510 4.471 3.960 0.001 0.000 0.255 8 G HA3 0.510 4.471 3.960 0.001 0.000 0.255 8 G C -0.066 174.880 174.900 0.077 0.000 1.352 8 G CA -0.119 45.057 45.100 0.126 0.000 1.037 8 G HN 0.797 nan 8.290 nan 0.000 0.556 9 V N -0.391 119.554 119.914 0.051 0.000 3.276 9 V HA 0.362 4.483 4.120 0.001 0.000 0.319 9 V C 0.313 176.424 176.094 0.028 0.000 1.427 9 V CA 0.224 62.542 62.300 0.029 0.000 1.102 9 V CB -1.429 30.397 31.823 0.005 0.000 1.020 9 V HN 0.650 nan 8.190 nan 0.000 0.456 10 M N -2.171 117.453 119.600 0.041 0.000 2.603 10 M HA 0.630 5.110 4.480 0.001 0.000 0.275 10 M C -3.243 173.085 176.300 0.047 0.000 1.226 10 M CA -1.858 53.464 55.300 0.036 0.000 0.870 10 M CB 1.551 34.168 32.600 0.028 0.000 1.716 10 M HN -0.271 nan 8.290 nan 0.000 0.482 11 P HA -0.084 nan 4.420 nan 0.000 0.255 11 P C 0.814 178.139 177.300 0.042 0.000 1.151 11 P CA 0.171 63.292 63.100 0.035 0.000 0.767 11 P CB 0.171 31.885 31.700 0.023 0.000 0.736 12 V N 0.930 120.870 119.914 0.043 0.000 3.647 12 V HA -0.020 4.101 4.120 0.001 0.000 0.279 12 V C 1.669 177.771 176.094 0.014 0.000 1.314 12 V CA 0.722 63.046 62.300 0.040 0.000 1.125 12 V CB -0.902 30.949 31.823 0.048 0.000 0.907 12 V HN 0.387 nan 8.190 nan 0.000 0.434 13 N N 2.257 120.957 118.700 0.000 0.000 2.025 13 N HA -0.317 4.424 4.740 0.001 0.000 0.194 13 N C 1.782 177.264 175.510 -0.046 0.000 1.044 13 N CA 2.468 55.497 53.050 -0.035 0.000 0.851 13 N CB -0.797 37.667 38.487 -0.038 0.000 1.036 13 N HN 0.594 nan 8.380 nan 0.000 0.422 14 Q N 0.523 120.302 119.800 -0.035 0.000 2.020 14 Q HA 0.010 4.351 4.340 0.001 0.000 0.202 14 Q C 2.075 178.113 176.000 0.063 0.000 0.982 14 Q CA 2.184 57.977 55.803 -0.017 0.000 0.838 14 Q CB -0.468 28.259 28.738 -0.018 0.000 0.899 14 Q HN 0.450 nan 8.270 nan 0.000 0.423 15 S N 0.069 115.797 115.700 0.046 0.000 2.374 15 S HA -0.179 4.292 4.470 0.001 0.000 0.227 15 S C 1.842 176.453 174.600 0.017 0.000 1.037 15 S CA 1.523 59.752 58.200 0.048 0.000 1.024 15 S CB -0.416 62.819 63.200 0.058 0.000 0.861 15 S HN 0.413 nan 8.310 nan 0.000 0.456 16 I N -0.112 120.456 120.570 -0.003 0.000 2.252 16 I HA -0.182 3.989 4.170 0.001 0.000 0.245 16 I C 2.256 178.350 176.117 -0.037 0.000 1.102 16 I CA 1.312 62.587 61.300 -0.041 0.000 1.385 16 I CB -0.384 37.578 38.000 -0.062 0.000 1.064 16 I HN 0.290 nan 8.210 nan 0.000 0.414 17 Y N 2.160 122.346 120.300 -0.189 0.000 2.128 17 Y HA -0.328 4.223 4.550 0.002 0.000 0.284 17 Y C 2.148 177.992 175.900 -0.093 0.000 1.154 17 Y CA 1.924 59.899 58.100 -0.209 0.000 1.149 17 Y CB -0.254 38.077 38.460 -0.214 0.000 0.976 17 Y HN 0.198 nan 8.280 nan 0.000 0.505 18 D N 0.187 120.660 120.400 0.122 0.000 2.178 18 D HA -0.139 4.502 4.640 0.001 0.000 0.202 18 D C 2.230 178.502 176.300 -0.047 0.000 0.974 18 D CA 1.324 55.343 54.000 0.032 0.000 0.841 18 D CB -0.524 40.333 40.800 0.094 0.000 0.953 18 D HN 0.518 nan 8.370 nan 0.000 0.478 19 A N 0.601 123.392 122.820 -0.048 0.000 1.929 19 A HA -0.049 4.272 4.320 0.001 0.000 0.216 19 A C 2.303 179.833 177.584 -0.089 0.000 1.176 19 A CA 0.636 52.634 52.037 -0.065 0.000 0.628 19 A CB -0.598 18.355 19.000 -0.078 0.000 0.816 19 A HN 0.188 nan 8.150 nan 0.000 0.444 20 L N 0.118 121.268 121.223 -0.122 0.000 2.217 20 L HA -0.116 4.225 4.340 0.001 0.000 0.211 20 L C 2.732 179.503 176.870 -0.164 0.000 1.107 20 L CA 1.536 56.293 54.840 -0.139 0.000 0.783 20 L CB -0.842 41.136 42.059 -0.135 0.000 0.919 20 L HN 0.559 nan 8.230 nan 0.000 0.442 21 T N -1.395 113.035 114.554 -0.208 0.000 2.777 21 T HA -0.127 4.224 4.350 0.001 0.000 0.266 21 T C 1.729 176.373 174.700 -0.094 0.000 1.040 21 T CA 1.317 63.303 62.100 -0.191 0.000 1.141 21 T CB -0.808 67.918 68.868 -0.236 0.000 0.868 21 T HN 0.305 nan 8.240 nan 0.000 0.444 22 V N -0.501 119.375 119.914 -0.062 0.000 3.217 22 V HA 0.282 4.403 4.120 0.001 0.000 0.264 22 V C 1.913 178.043 176.094 0.059 0.000 1.135 22 V CA 0.839 63.136 62.300 -0.006 0.000 1.142 22 V CB -1.136 30.684 31.823 -0.005 0.000 0.754 22 V HN 0.445 nan 8.190 nan 0.000 0.484 23 L N -0.675 120.517 121.223 -0.052 0.000 2.664 23 L HA 0.211 4.552 4.340 0.001 0.000 0.233 23 L C 2.318 178.947 176.870 -0.403 0.000 1.113 23 L CA 0.319 55.023 54.840 -0.228 0.000 0.896 23 L CB -0.187 41.751 42.059 -0.202 0.000 1.163 23 L HN 0.320 nan 8.230 nan 0.000 0.497 24 Q N 1.140 120.831 119.800 -0.182 0.000 2.290 24 Q HA -0.276 4.064 4.340 0.001 0.000 0.211 24 Q C 2.152 178.045 176.000 -0.178 0.000 0.991 24 Q CA 2.224 57.935 55.803 -0.154 0.000 0.893 24 Q CB -0.228 28.460 28.738 -0.083 0.000 0.913 24 Q HN 0.679 nan 8.270 nan 0.000 0.428 25 H N -1.427 117.540 119.070 -0.172 0.000 2.521 25 H HA 0.005 4.562 4.556 0.002 0.000 0.286 25 H C 1.269 176.395 175.328 -0.336 0.000 1.034 25 H CA 1.222 57.129 56.048 -0.236 0.000 1.278 25 H CB -0.171 29.409 29.762 -0.304 0.000 1.386 25 H HN 0.320 nan 8.280 nan 0.000 0.567 26 R N 0.854 120.883 120.500 -0.784 0.000 2.236 26 R HA 0.142 4.482 4.340 0.001 0.000 0.208 26 R C 0.336 176.584 176.300 -0.086 0.000 1.036 26 R CA 0.730 56.487 56.100 -0.571 0.000 1.001 26 R CB 0.534 30.564 30.300 -0.451 0.000 0.896 26 R HN 0.431 nan 8.270 nan 0.000 0.464 27 G N 0.348 109.132 108.800 -0.026 0.000 2.289 27 G HA2 0.154 4.114 3.960 0.001 0.000 0.315 27 G HA3 0.154 4.114 3.960 0.001 0.000 0.315 27 G C -0.750 174.162 174.900 0.019 0.000 1.587 27 G CA -0.640 44.547 45.100 0.144 0.000 0.949 27 G HN -0.061 nan 8.290 nan 0.000 0.626 28 Q N 1.046 120.861 119.800 0.024 0.000 2.247 28 Q HA 0.188 4.529 4.340 0.001 0.000 0.211 28 Q C 1.415 177.389 176.000 -0.043 0.000 0.861 28 Q CA 0.189 55.980 55.803 -0.021 0.000 0.949 28 Q CB 0.915 29.643 28.738 -0.017 0.000 1.115 28 Q HN 0.644 nan 8.270 nan 0.000 0.507 29 D N 0.420 120.788 120.400 -0.052 0.000 2.123 29 D HA 0.093 4.734 4.640 0.001 0.000 0.200 29 D C 0.070 176.343 176.300 -0.044 0.000 0.976 29 D CA 1.077 55.040 54.000 -0.062 0.000 0.831 29 D CB 0.384 41.138 40.800 -0.077 0.000 0.974 29 D HN 0.252 nan 8.370 nan 0.000 0.469 30 A N -1.357 121.447 122.820 -0.026 0.000 2.581 30 A HA 0.823 5.144 4.320 0.001 0.000 0.290 30 A C -1.615 175.967 177.584 -0.002 0.000 1.119 30 A CA -0.146 51.873 52.037 -0.029 0.000 0.670 30 A CB 1.200 20.190 19.000 -0.018 0.000 1.280 30 A HN 0.300 nan 8.150 nan 0.000 0.425 31 A N -1.191 121.627 122.820 -0.004 0.000 2.610 31 A HA 0.973 5.294 4.320 0.001 0.000 0.291 31 A C -0.309 177.353 177.584 0.130 0.000 1.086 31 A CA -0.019 52.076 52.037 0.096 0.000 0.677 31 A CB 1.144 20.241 19.000 0.162 0.000 1.278 31 A HN 2.633 nan 8.150 nan 0.000 0.414 32 G N -0.601 108.391 108.800 0.321 0.000 2.632 32 G HA2 0.620 4.581 3.960 0.001 0.000 0.292 32 G HA3 0.620 4.581 3.960 0.001 0.000 0.292 32 G C -1.706 173.375 174.900 0.302 0.000 1.465 32 G CA -0.400 44.893 45.100 0.321 0.000 0.824 32 G HN 0.884 nan 8.290 nan 0.000 0.509 33 I N 0.666 121.383 120.570 0.245 0.000 2.722 33 I HA 0.587 4.758 4.170 0.001 0.000 0.295 33 I C -1.158 174.985 176.117 0.042 0.000 1.161 33 I CA -0.889 60.441 61.300 0.050 0.000 1.032 33 I CB 2.689 40.597 38.000 -0.152 0.000 1.244 33 I HN 0.493 nan 8.210 nan 0.000 0.421 34 I N 4.194 124.764 120.570 -0.000 0.000 2.607 34 I HA 0.499 4.670 4.170 0.001 0.000 0.290 34 I C -0.502 175.635 176.117 0.033 0.000 1.129 34 I CA 0.110 61.399 61.300 -0.019 0.000 1.042 34 I CB 2.164 40.076 38.000 -0.147 0.000 1.242 34 I HN 0.776 nan 8.210 nan 0.000 0.421 35 T N 4.604 119.214 114.554 0.093 0.000 2.910 35 T HA 0.657 5.008 4.350 0.001 0.000 0.287 35 T C -0.498 174.355 174.700 0.254 0.000 1.050 35 T CA -0.778 61.405 62.100 0.139 0.000 1.011 35 T CB 1.859 70.782 68.868 0.093 0.000 1.195 35 T HN 0.379 nan 8.240 nan 0.000 0.540 36 I N 2.558 123.258 120.570 0.218 0.000 2.382 36 I HA 0.294 4.465 4.170 0.001 0.000 0.286 36 I C -0.268 175.904 176.117 0.093 0.000 1.002 36 I CA -0.876 60.531 61.300 0.178 0.000 1.135 36 I CB 1.496 39.588 38.000 0.153 0.000 1.288 36 I HN 0.840 nan 8.210 nan 0.000 0.448 37 D N 5.629 126.067 120.400 0.062 0.000 2.414 37 D HA 0.150 4.791 4.640 0.001 0.000 0.251 37 D C 1.150 177.466 176.300 0.027 0.000 1.252 37 D CA -0.485 53.540 54.000 0.042 0.000 0.999 37 D CB 0.912 41.733 40.800 0.036 0.000 1.093 37 D HN 0.482 nan 8.370 nan 0.000 0.515 38 A N -0.151 122.683 122.820 0.023 0.000 2.125 38 A HA -0.158 4.163 4.320 0.001 0.000 0.219 38 A C 1.235 178.825 177.584 0.010 0.000 1.156 38 A CA 0.819 52.867 52.037 0.018 0.000 0.671 38 A CB -0.652 18.359 19.000 0.017 0.000 0.794 38 A HN 0.561 nan 8.150 nan 0.000 0.459 39 N N 0.645 119.348 118.700 0.005 0.000 2.251 39 N HA 0.019 4.760 4.740 0.001 0.000 0.217 39 N C -0.577 174.923 175.510 -0.017 0.000 1.124 39 N CA -0.075 52.973 53.050 -0.002 0.000 0.843 39 N CB -0.011 38.475 38.487 -0.002 0.000 1.024 39 N HN 0.361 nan 8.380 nan 0.000 0.501 40 N N 0.653 119.340 118.700 -0.022 0.000 2.696 40 N HA -0.162 4.579 4.740 0.001 0.000 0.256 40 N C -1.089 174.345 175.510 -0.126 0.000 1.031 40 N CA 0.641 53.655 53.050 -0.060 0.000 0.730 40 N CB -1.483 36.982 38.487 -0.036 0.000 0.894 40 N HN 0.281 nan 8.380 nan 0.000 0.544 41 C N 0.637 119.866 119.300 -0.118 0.000 2.797 41 C HA 0.563 5.024 4.460 0.001 0.000 0.306 41 C C 0.364 175.310 174.990 -0.073 0.000 1.207 41 C CA -0.910 58.022 59.018 -0.142 0.000 1.507 41 C CB 1.122 28.834 27.740 -0.047 0.000 2.028 41 C HN 0.269 nan 8.230 nan 0.000 0.475 42 F N 2.516 122.425 119.950 -0.069 0.000 2.418 42 F HA 0.526 5.054 4.527 0.002 0.000 0.341 42 F C 0.973 176.727 175.800 -0.077 0.000 1.120 42 F CA 0.047 57.992 58.000 -0.091 0.000 1.232 42 F CB 0.546 39.410 39.000 -0.226 0.000 1.175 42 F HN 0.229 nan 8.300 nan 0.000 0.569 43 R N 3.019 123.625 120.500 0.176 0.000 2.451 43 R HA 0.561 4.901 4.340 0.001 0.000 0.307 43 R C -1.547 174.794 176.300 0.068 0.000 0.965 43 R CA -0.906 55.251 56.100 0.094 0.000 0.865 43 R CB 1.753 32.106 30.300 0.088 0.000 1.174 43 R HN 0.609 nan 8.270 nan 0.000 0.455 44 L N 1.999 123.249 121.223 0.044 0.000 2.354 44 L HA 0.735 5.075 4.340 0.001 0.000 0.264 44 L C -1.091 175.815 176.870 0.061 0.000 1.008 44 L CA -0.627 54.230 54.840 0.029 0.000 0.819 44 L CB 1.953 43.996 42.059 -0.027 0.000 1.339 44 L HN 0.616 nan 8.230 nan 0.000 0.420 45 R N 2.964 123.517 120.500 0.089 0.000 2.508 45 R HA 0.672 5.013 4.340 0.001 0.000 0.283 45 R C -2.010 174.320 176.300 0.050 0.000 1.120 45 R CA -0.512 55.623 56.100 0.059 0.000 0.958 45 R CB 1.092 31.478 30.300 0.144 0.000 1.215 45 R HN 0.738 nan 8.270 nan 0.000 0.427 46 K N 2.690 123.035 120.400 -0.091 0.000 2.542 46 K HA 0.900 5.221 4.320 0.001 0.000 0.259 46 K C -1.849 174.644 176.600 -0.178 0.000 0.932 46 K CA -0.790 55.427 56.287 -0.117 0.000 0.820 46 K CB 2.193 34.646 32.500 -0.078 0.000 1.345 46 K HN 0.622 nan 8.250 nan 0.000 0.432 47 A N 2.004 124.703 122.820 -0.202 0.000 2.511 47 A HA 0.456 4.777 4.320 0.001 0.000 0.293 47 A C -1.778 175.720 177.584 -0.143 0.000 1.098 47 A CA -1.030 50.904 52.037 -0.172 0.000 0.643 47 A CB 1.007 19.881 19.000 -0.210 0.000 1.302 47 A HN 0.762 nan 8.150 nan 0.000 0.446 48 N N -0.512 118.123 118.700 -0.108 0.000 2.530 48 N HA 0.578 5.319 4.740 0.001 0.000 0.273 48 N C 0.216 175.669 175.510 -0.094 0.000 1.173 48 N CA 1.658 54.658 53.050 -0.082 0.000 0.967 48 N CB 1.236 39.687 38.487 -0.060 0.000 1.109 48 N HN 1.744 nan 8.380 nan 0.000 0.453 49 G N -0.012 108.741 108.800 -0.078 0.000 2.381 49 G HA2 -0.082 3.879 3.960 0.001 0.000 0.672 49 G HA3 -0.082 3.879 3.960 0.001 0.000 0.672 49 G C -1.275 173.585 174.900 -0.067 0.000 1.324 49 G CA -1.038 44.019 45.100 -0.072 0.000 0.975 49 G HN 0.465 nan 8.290 nan 0.000 0.593 50 L N 0.745 121.941 121.223 -0.046 0.000 2.397 50 L HA 0.248 4.589 4.340 0.001 0.000 0.271 50 L C 2.321 179.182 176.870 -0.015 0.000 1.148 50 L CA -0.683 54.139 54.840 -0.029 0.000 0.825 50 L CB 1.207 43.257 42.059 -0.015 0.000 1.117 50 L HN 0.539 nan 8.230 nan 0.000 0.456 51 V N 1.260 121.185 119.914 0.018 0.000 2.277 51 V HA -0.381 3.740 4.120 0.001 0.000 0.255 51 V C 2.333 178.558 176.094 0.219 0.000 1.074 51 V CA 2.505 64.890 62.300 0.142 0.000 1.058 51 V CB -0.907 30.904 31.823 -0.021 0.000 0.656 51 V HN 1.077 nan 8.190 nan 0.000 0.449 52 S N -0.500 115.266 115.700 0.110 0.000 2.402 52 S HA -0.195 4.275 4.470 0.001 0.000 0.229 52 S C 1.541 176.247 174.600 0.176 0.000 1.021 52 S CA 1.474 59.797 58.200 0.204 0.000 0.974 52 S CB -0.384 62.891 63.200 0.124 0.000 0.800 52 S HN 0.664 nan 8.310 nan 0.000 0.484 53 D N 1.243 121.688 120.400 0.076 0.000 2.240 53 D HA 0.109 4.750 4.640 0.001 0.000 0.206 53 D C 2.070 178.349 176.300 -0.035 0.000 0.963 53 D CA 0.602 54.621 54.000 0.032 0.000 0.863 53 D CB -0.186 40.614 40.800 -0.000 0.000 0.973 53 D HN 0.349 nan 8.370 nan 0.000 0.501 54 V N 0.388 120.201 119.914 -0.169 0.000 2.548 54 V HA -0.107 4.014 4.120 0.001 0.000 0.249 54 V C 0.549 176.221 176.094 -0.703 0.000 1.055 54 V CA 0.994 62.971 62.300 -0.538 0.000 1.065 54 V CB -0.413 30.881 31.823 -0.883 0.000 0.681 54 V HN 0.014 nan 8.190 nan 0.000 0.462 55 F N 0.664 120.707 119.950 0.156 0.000 2.311 55 F HA 0.499 5.026 4.527 0.001 0.000 0.371 55 F C 0.461 176.435 175.800 0.290 0.000 1.083 55 F CA -0.906 57.234 58.000 0.234 0.000 1.113 55 F CB 0.149 39.297 39.000 0.247 0.000 1.349 55 F HN 0.049 nan 8.300 nan 0.000 0.470 56 E N 0.757 121.331 120.200 0.624 0.000 2.312 56 E HA 0.485 4.836 4.350 0.001 0.000 0.259 56 E C 1.022 177.663 176.600 0.067 0.000 1.122 56 E CA -0.248 56.279 56.400 0.211 0.000 0.922 56 E CB 1.076 30.793 29.700 0.029 0.000 1.109 56 E HN 0.599 nan 8.360 nan 0.000 0.442 57 A N 1.963 124.767 122.820 -0.028 0.000 1.917 57 A HA -0.286 4.035 4.320 0.001 0.000 0.219 57 A C 1.987 179.522 177.584 -0.082 0.000 1.182 57 A CA 2.171 54.177 52.037 -0.051 0.000 0.633 57 A CB -0.751 18.219 19.000 -0.049 0.000 0.819 57 A HN 0.734 nan 8.150 nan 0.000 0.448 58 R N -0.980 119.409 120.500 -0.185 0.000 2.152 58 R HA -0.169 4.172 4.340 0.001 0.000 0.232 58 R C 1.726 177.941 176.300 -0.141 0.000 1.117 58 R CA 1.889 57.870 56.100 -0.198 0.000 0.981 58 R CB -0.841 29.302 30.300 -0.262 0.000 0.870 58 R HN 0.723 nan 8.270 nan 0.000 0.451 59 H N 0.184 119.288 119.070 0.056 0.000 2.384 59 H HA 0.158 4.715 4.556 0.001 0.000 0.300 59 H C 2.176 177.552 175.328 0.079 0.000 1.057 59 H CA 1.100 57.202 56.048 0.091 0.000 1.370 59 H CB 0.046 29.908 29.762 0.167 0.000 1.417 59 H HN -0.010 nan 8.280 nan 0.000 0.527 60 M N 0.800 120.504 119.600 0.173 0.000 2.149 60 M HA -0.189 4.292 4.480 0.001 0.000 0.261 60 M C 2.118 178.436 176.300 0.029 0.000 1.064 60 M CA 1.248 56.581 55.300 0.054 0.000 1.102 60 M CB -0.620 31.952 32.600 -0.047 0.000 1.369 60 M HN 0.378 nan 8.290 nan 0.000 0.408 61 Q N 1.093 120.906 119.800 0.020 0.000 2.135 61 Q HA -0.191 4.150 4.340 0.001 0.000 0.204 61 Q C 2.047 178.064 176.000 0.028 0.000 0.981 61 Q CA 1.834 57.643 55.803 0.010 0.000 0.856 61 Q CB -0.187 28.548 28.738 -0.005 0.000 0.902 61 Q HN 0.698 nan 8.270 nan 0.000 0.425 62 R N -0.551 119.980 120.500 0.051 0.000 2.200 62 R HA 0.050 4.391 4.340 0.001 0.000 0.208 62 R C 0.994 177.333 176.300 0.065 0.000 1.033 62 R CA 0.283 56.419 56.100 0.060 0.000 1.000 62 R CB -0.324 30.024 30.300 0.079 0.000 0.906 62 R HN 0.087 nan 8.270 nan 0.000 0.462 63 L N 3.096 124.361 121.223 0.069 0.000 2.511 63 L HA 0.148 4.489 4.340 0.001 0.000 0.239 63 L C -0.217 176.679 176.870 0.043 0.000 1.400 63 L CA -0.137 54.738 54.840 0.059 0.000 1.226 63 L CB -0.186 41.901 42.059 0.048 0.000 1.475 63 L HN 0.283 nan 8.230 nan 0.000 0.428 64 Q N 0.759 120.586 119.800 0.046 0.000 2.368 64 Q HA 0.666 5.007 4.340 0.001 0.000 0.237 64 Q C 0.500 176.530 176.000 0.050 0.000 0.987 64 Q CA 0.341 56.168 55.803 0.040 0.000 0.896 64 Q CB 1.621 30.380 28.738 0.034 0.000 1.241 64 Q HN 0.515 nan 8.270 nan 0.000 0.485 65 G N 0.936 109.764 108.800 0.046 0.000 2.428 65 G HA2 -0.115 3.846 3.960 0.001 0.000 0.681 65 G HA3 -0.115 3.846 3.960 0.001 0.000 0.681 65 G C -0.826 174.107 174.900 0.056 0.000 1.340 65 G CA -0.927 44.206 45.100 0.055 0.000 0.915 65 G HN 0.568 nan 8.290 nan 0.000 0.645 66 N N -0.260 118.476 118.700 0.060 0.000 2.214 66 N HA 0.268 5.009 4.740 0.001 0.000 0.214 66 N C 0.396 175.954 175.510 0.080 0.000 1.132 66 N CA 0.439 53.527 53.050 0.064 0.000 0.856 66 N CB 0.665 39.186 38.487 0.056 0.000 1.020 66 N HN 0.729 nan 8.380 nan 0.000 0.509 67 M N -0.241 119.412 119.600 0.089 0.000 2.371 67 M HA 0.610 5.090 4.480 0.001 0.000 0.287 67 M C -1.483 174.883 176.300 0.111 0.000 1.149 67 M CA -0.513 54.850 55.300 0.105 0.000 0.929 67 M CB 2.079 34.752 32.600 0.121 0.000 1.683 67 M HN 0.073 nan 8.290 nan 0.000 0.470 68 G N 4.104 112.961 108.800 0.095 0.000 2.576 68 G HA2 0.675 4.636 3.960 0.001 0.000 0.290 68 G HA3 0.675 4.636 3.960 0.001 0.000 0.290 68 G C -2.064 172.871 174.900 0.057 0.000 1.442 68 G CA -0.770 44.378 45.100 0.080 0.000 0.792 68 G HN 1.143 nan 8.290 nan 0.000 0.491 69 I N -1.943 118.651 120.570 0.041 0.000 2.969 69 I HA 0.983 5.153 4.170 0.001 0.000 0.307 69 I C -0.084 176.045 176.117 0.020 0.000 1.149 69 I CA -1.173 60.147 61.300 0.033 0.000 1.008 69 I CB 2.378 40.409 38.000 0.052 0.000 1.232 69 I HN 1.019 nan 8.210 nan 0.000 0.435 70 G N 2.163 110.981 108.800 0.031 0.000 2.694 70 G HA2 0.591 4.551 3.960 0.001 0.000 0.290 70 G HA3 0.591 4.551 3.960 0.001 0.000 0.290 70 G C -2.162 172.812 174.900 0.123 0.000 1.386 70 G CA -0.466 44.663 45.100 0.048 0.000 0.872 70 G HN 0.998 nan 8.290 nan 0.000 0.475 71 H N -0.680 118.395 119.070 0.009 0.000 3.086 71 H HA 0.458 5.015 4.556 0.002 0.000 0.353 71 H C -1.482 173.855 175.328 0.014 0.000 1.134 71 H CA -0.429 55.621 56.048 0.003 0.000 1.248 71 H CB 2.028 31.790 29.762 0.001 0.000 1.878 71 H HN 0.674 nan 8.280 nan 0.000 0.527 72 V N 3.471 123.141 119.914 -0.406 0.000 2.398 72 V HA 0.597 4.718 4.120 0.001 0.000 0.286 72 V C 0.363 176.198 176.094 -0.431 0.000 1.026 72 V CA -1.016 61.127 62.300 -0.261 0.000 0.868 72 V CB 1.540 33.252 31.823 -0.185 0.000 0.982 72 V HN 0.664 nan 8.190 nan 0.000 0.443 73 R N 2.977 123.401 120.500 -0.128 0.000 2.474 73 R HA 0.433 4.774 4.340 0.001 0.000 0.295 73 R C -1.773 174.581 176.300 0.091 0.000 0.980 73 R CA -0.663 55.452 56.100 0.024 0.000 0.934 73 R CB 1.558 31.961 30.300 0.171 0.000 1.101 73 R HN 0.879 nan 8.270 nan 0.000 0.469 74 Y N 5.700 126.014 120.300 0.024 0.000 2.330 74 Y HA 0.382 4.933 4.550 0.001 0.000 0.336 74 Y C -1.978 173.957 175.900 0.058 0.000 1.036 74 Y CA -2.361 55.777 58.100 0.063 0.000 1.125 74 Y CB 1.246 39.797 38.460 0.151 0.000 1.194 74 Y HN 0.502 nan 8.280 nan 0.000 0.469 75 P HA 0.069 nan 4.420 nan 0.000 0.271 75 P C -1.013 176.183 177.300 -0.174 0.000 1.216 75 P CA -0.129 62.831 63.100 -0.234 0.000 0.776 75 P CB 0.826 32.357 31.700 -0.282 0.000 0.881 76 T N -1.071 113.450 114.554 -0.055 0.000 2.749 76 T HA 0.526 4.877 4.350 0.001 0.000 0.287 76 T C 0.568 175.248 174.700 -0.034 0.000 0.970 76 T CA -0.877 61.217 62.100 -0.010 0.000 0.980 76 T CB 0.775 69.656 68.868 0.022 0.000 0.924 76 T HN 0.449 nan 8.240 nan 0.000 0.456 77 A N 2.874 125.676 122.820 -0.031 0.000 2.752 77 A HA 0.573 4.894 4.320 0.001 0.000 0.292 77 A C 1.508 179.074 177.584 -0.030 0.000 1.597 77 A CA 0.305 52.321 52.037 -0.036 0.000 1.241 77 A CB -1.509 17.474 19.000 -0.029 0.000 1.061 77 A HN 1.724 nan 8.150 nan 0.000 0.576 78 G N 0.615 109.398 108.800 -0.029 0.000 3.145 78 G HA2 -0.150 3.811 3.960 0.001 0.000 0.195 78 G HA3 -0.150 3.811 3.960 0.001 0.000 0.195 78 G C 0.476 175.365 174.900 -0.020 0.000 2.278 78 G CA -0.034 45.051 45.100 -0.025 0.000 1.441 78 G HN 0.904 nan 8.290 nan 0.000 0.452 79 S N 2.276 117.968 115.700 -0.014 0.000 2.962 79 S HA 0.477 4.948 4.470 0.001 0.000 0.320 79 S C 0.744 175.342 174.600 -0.002 0.000 1.186 79 S CA 0.934 59.130 58.200 -0.007 0.000 1.180 79 S CB 0.310 63.510 63.200 0.000 0.000 1.491 79 S HN 1.320 nan 8.310 nan 0.000 0.556 80 S N 2.857 118.553 115.700 -0.007 0.000 4.684 80 S HA -0.163 4.308 4.470 0.001 0.000 0.564 80 S C 0.725 175.323 174.600 -0.003 0.000 0.942 80 S CA 0.062 58.258 58.200 -0.007 0.000 1.089 80 S CB -0.109 63.090 63.200 -0.003 0.000 1.736 80 S HN 0.681 nan 8.310 nan 0.000 0.387 81 S N 4.293 119.982 115.700 -0.017 0.000 2.849 81 S HA 0.487 4.957 4.470 0.001 0.000 0.244 81 S C 0.928 175.516 174.600 -0.021 0.000 1.297 81 S CA 0.085 58.272 58.200 -0.022 0.000 1.241 81 S CB 0.311 63.481 63.200 -0.049 0.000 0.958 81 S HN 0.883 nan 8.310 nan 0.000 0.489 82 A N 0.684 123.499 122.820 -0.009 0.000 2.736 82 A HA 0.341 4.662 4.320 0.001 0.000 0.222 82 A C 0.863 178.448 177.584 0.003 0.000 1.267 82 A CA -0.264 51.767 52.037 -0.010 0.000 1.026 82 A CB -0.046 18.947 19.000 -0.012 0.000 1.281 82 A HN 0.503 nan 8.150 nan 0.000 0.577 83 S N -0.083 115.627 115.700 0.017 0.000 2.634 83 S HA 0.403 4.873 4.470 0.001 0.000 0.261 83 S C 0.186 174.812 174.600 0.043 0.000 1.271 83 S CA -0.340 57.883 58.200 0.039 0.000 0.985 83 S CB 0.465 63.699 63.200 0.057 0.000 0.968 83 S HN 0.416 nan 8.310 nan 0.000 0.568 84 E N 0.211 120.457 120.200 0.077 0.000 2.502 84 E HA 0.295 4.646 4.350 0.001 0.000 0.261 84 E C 0.206 176.769 176.600 -0.062 0.000 0.974 84 E CA -0.133 56.289 56.400 0.037 0.000 0.936 84 E CB 0.289 30.075 29.700 0.143 0.000 0.926 84 E HN 0.742 nan 8.360 nan 0.000 0.459 85 A N 4.307 127.015 122.820 -0.185 0.000 2.257 85 A HA 0.258 4.579 4.320 0.001 0.000 0.289 85 A C -0.205 177.036 177.584 -0.573 0.000 1.095 85 A CA -0.460 51.434 52.037 -0.237 0.000 0.836 85 A CB 0.822 19.745 19.000 -0.128 0.000 1.111 85 A HN 0.730 nan 8.150 nan 0.000 0.497 86 Q N -0.048 119.470 119.800 -0.470 0.000 2.212 86 Q HA 0.364 4.705 4.340 0.001 0.000 0.238 86 Q C -2.366 173.454 176.000 -0.300 0.000 0.955 86 Q CA -1.716 53.720 55.803 -0.613 0.000 0.906 86 Q CB 0.453 28.773 28.738 -0.695 0.000 1.215 86 Q HN 0.441 nan 8.270 nan 0.000 0.478 87 P HA 0.066 nan 4.420 nan 0.000 0.274 87 P C -1.095 176.055 177.300 -0.250 0.000 1.231 87 P CA 0.160 63.136 63.100 -0.207 0.000 0.790 87 P CB 0.421 32.063 31.700 -0.097 0.000 0.951 88 F N 1.348 121.283 119.950 -0.025 0.000 2.408 88 F HA 0.539 5.067 4.527 0.001 0.000 0.325 88 F C 0.265 176.109 175.800 0.073 0.000 1.082 88 F CA 0.124 58.136 58.000 0.020 0.000 1.032 88 F CB 0.806 39.807 39.000 0.002 0.000 1.259 88 F HN 0.277 nan 8.300 nan 0.000 0.503 89 Y N 1.111 121.529 120.300 0.196 0.000 2.562 89 Y HA 0.679 5.230 4.550 0.001 0.000 0.345 89 Y C -1.799 174.185 175.900 0.140 0.000 1.045 89 Y CA -1.666 56.490 58.100 0.094 0.000 1.028 89 Y CB 1.493 39.958 38.460 0.008 0.000 1.297 89 Y HN 0.460 nan 8.280 nan 0.000 0.463 90 V N 2.860 122.313 119.914 -0.768 0.000 2.760 90 V HA 0.399 4.519 4.120 0.001 0.000 0.309 90 V C 0.074 175.687 176.094 -0.801 0.000 1.077 90 V CA -0.405 61.449 62.300 -0.744 0.000 0.910 90 V CB 1.724 33.391 31.823 -0.260 0.000 1.008 90 V HN 0.997 nan 8.190 nan 0.000 0.424 91 N N 2.312 120.658 118.700 -0.590 0.000 2.331 91 N HA -0.045 4.696 4.740 0.001 0.000 0.180 91 N C 0.496 176.004 175.510 -0.003 0.000 1.019 91 N CA 1.167 54.170 53.050 -0.078 0.000 0.881 91 N CB 0.278 38.793 38.487 0.046 0.000 0.972 91 N HN 1.057 nan 8.380 nan 0.000 0.435 92 S N 0.074 115.727 115.700 -0.078 0.000 2.541 92 S HA 0.610 5.081 4.470 0.001 0.000 0.280 92 S C -3.134 171.404 174.600 -0.103 0.000 1.112 92 S CA -1.265 56.878 58.200 -0.095 0.000 0.925 92 S CB 2.723 65.858 63.200 -0.108 0.000 1.067 92 S HN 0.073 nan 8.310 nan 0.000 0.479 93 P HA 0.370 nan 4.420 nan 0.000 0.284 93 P C -0.459 176.749 177.300 -0.153 0.000 1.258 93 P CA -0.097 62.821 63.100 -0.303 0.000 0.824 93 P CB 0.304 31.726 31.700 -0.462 0.000 1.038 94 Y N 0.128 120.443 120.300 0.025 0.000 3.049 94 Y HA -0.276 4.275 4.550 0.001 0.000 0.478 94 Y C 1.144 177.096 175.900 0.087 0.000 1.177 94 Y CA 1.959 60.101 58.100 0.069 0.000 2.663 94 Y CB -2.506 36.010 38.460 0.093 0.000 0.854 94 Y HN 0.932 nan 8.280 nan 0.000 0.525 95 G N 0.334 109.299 108.800 0.275 0.000 3.306 95 G HA2 0.278 4.239 3.960 0.001 0.000 0.672 95 G HA3 0.278 4.239 3.960 0.001 0.000 0.672 95 G C -0.973 174.248 174.900 0.534 0.000 1.212 95 G CA -0.491 44.849 45.100 0.399 0.000 1.150 95 G HN 0.509 nan 8.290 nan 0.000 0.509 96 I N 1.126 122.018 120.570 0.537 0.000 2.689 96 I HA 0.822 4.993 4.170 0.001 0.000 0.299 96 I C 0.201 176.584 176.117 0.442 0.000 1.059 96 I CA -0.998 60.581 61.300 0.465 0.000 1.055 96 I CB 2.786 40.908 38.000 0.203 0.000 1.243 96 I HN 0.462 nan 8.210 nan 0.000 0.425 97 T N 5.881 120.618 114.554 0.306 0.000 2.933 97 T HA 0.742 5.093 4.350 0.001 0.000 0.305 97 T C -1.688 173.102 174.700 0.149 0.000 1.092 97 T CA -0.456 61.705 62.100 0.102 0.000 1.008 97 T CB 1.388 70.053 68.868 -0.339 0.000 1.102 97 T HN 0.544 nan 8.240 nan 0.000 0.469 98 L N 3.816 125.129 121.223 0.151 0.000 2.445 98 L HA 0.946 5.287 4.340 0.001 0.000 0.262 98 L C -1.283 175.649 176.870 0.104 0.000 0.974 98 L CA -0.510 54.419 54.840 0.148 0.000 0.822 98 L CB 1.819 43.995 42.059 0.195 0.000 1.339 98 L HN 0.794 nan 8.230 nan 0.000 0.409 99 A N 3.179 126.038 122.820 0.064 0.000 2.350 99 A HA 0.719 5.040 4.320 0.001 0.000 0.324 99 A C -1.512 176.133 177.584 0.101 0.000 1.118 99 A CA -0.419 51.626 52.037 0.013 0.000 0.783 99 A CB 0.928 19.952 19.000 0.041 0.000 1.236 99 A HN 0.947 nan 8.150 nan 0.000 0.457 100 H N 1.989 121.044 119.070 -0.024 0.000 2.980 100 H HA 0.528 5.085 4.556 0.002 0.000 0.367 100 H C -1.762 173.672 175.328 0.177 0.000 1.206 100 H CA -0.603 55.471 56.048 0.044 0.000 1.126 100 H CB 1.791 31.562 29.762 0.015 0.000 1.838 100 H HN 0.778 nan 8.280 nan 0.000 0.552 101 N N 2.613 121.123 118.700 -0.316 0.000 2.549 101 N HA 0.466 5.207 4.740 0.001 0.000 0.281 101 N C -0.965 174.354 175.510 -0.317 0.000 1.084 101 N CA 0.095 52.970 53.050 -0.291 0.000 0.862 101 N CB 1.684 40.148 38.487 -0.039 0.000 1.333 101 N HN 0.966 nan 8.380 nan 0.000 0.523 102 G N 2.006 110.564 108.800 -0.404 0.000 2.404 102 G HA2 0.109 4.070 3.960 0.001 0.000 0.253 102 G HA3 0.109 4.070 3.960 0.001 0.000 0.253 102 G C -2.042 172.973 174.900 0.192 0.000 1.253 102 G CA -0.749 44.399 45.100 0.079 0.000 0.917 102 G HN 0.628 nan 8.290 nan 0.000 0.480 103 N N -0.653 118.266 118.700 0.365 0.000 2.493 103 N HA 0.476 5.217 4.740 0.001 0.000 0.279 103 N C -1.050 174.641 175.510 0.302 0.000 1.082 103 N CA -0.564 52.662 53.050 0.293 0.000 0.963 103 N CB 1.458 40.052 38.487 0.178 0.000 1.627 103 N HN 0.552 nan 8.380 nan 0.000 0.499 104 L N 2.464 123.820 121.223 0.221 0.000 2.290 104 L HA 0.337 4.678 4.340 0.001 0.000 0.284 104 L C 1.318 178.267 176.870 0.131 0.000 1.078 104 L CA -0.341 54.595 54.840 0.161 0.000 0.815 104 L CB 1.195 43.287 42.059 0.056 0.000 1.162 104 L HN 0.785 nan 8.230 nan 0.000 0.435 105 T N -2.381 112.260 114.554 0.145 0.000 3.148 105 T HA -0.018 4.333 4.350 0.001 0.000 0.253 105 T C 0.839 175.578 174.700 0.065 0.000 1.134 105 T CA 0.102 62.259 62.100 0.094 0.000 1.051 105 T CB -0.364 68.573 68.868 0.114 0.000 0.959 105 T HN 0.704 nan 8.240 nan 0.000 0.525 106 N N 0.186 118.928 118.700 0.070 0.000 2.451 106 N HA 0.401 5.142 4.740 0.001 0.000 0.271 106 N C 1.157 176.704 175.510 0.062 0.000 1.410 106 N CA 0.095 53.181 53.050 0.059 0.000 0.884 106 N CB 0.101 38.621 38.487 0.055 0.000 1.332 106 N HN 0.273 nan 8.380 nan 0.000 0.498 107 A N 0.637 123.492 122.820 0.060 0.000 1.940 107 A HA -0.253 4.068 4.320 0.001 0.000 0.219 107 A C 2.057 179.687 177.584 0.076 0.000 1.176 107 A CA 1.481 53.543 52.037 0.043 0.000 0.631 107 A CB -1.020 17.992 19.000 0.021 0.000 0.814 107 A HN 0.511 nan 8.150 nan 0.000 0.446 108 H N 0.971 120.035 119.070 -0.009 0.000 2.352 108 H HA -0.172 4.384 4.556 0.001 0.000 0.299 108 H C 2.027 177.355 175.328 -0.000 0.000 1.097 108 H CA 2.071 58.114 56.048 -0.009 0.000 1.311 108 H CB -0.203 29.554 29.762 -0.009 0.000 1.377 108 H HN 0.799 nan 8.280 nan 0.000 0.504 109 E N -0.022 120.297 120.200 0.198 0.000 2.158 109 E HA -0.061 4.290 4.350 0.001 0.000 0.191 109 E C 2.508 179.164 176.600 0.093 0.000 0.982 109 E CA 0.832 57.304 56.400 0.119 0.000 0.823 109 E CB -0.478 29.248 29.700 0.044 0.000 0.766 109 E HN 0.393 nan 8.360 nan 0.000 0.468 110 L N 0.417 121.680 121.223 0.067 0.000 2.093 110 L HA -0.030 4.310 4.340 0.001 0.000 0.208 110 L C 2.955 179.846 176.870 0.035 0.000 1.085 110 L CA 1.110 55.971 54.840 0.035 0.000 0.755 110 L CB -0.390 41.675 42.059 0.010 0.000 0.904 110 L HN 0.132 nan 8.230 nan 0.000 0.435 111 R N 0.546 121.066 120.500 0.033 0.000 2.081 111 R HA -0.218 4.123 4.340 0.001 0.000 0.235 111 R C 2.373 178.718 176.300 0.075 0.000 1.131 111 R CA 1.665 57.771 56.100 0.010 0.000 0.960 111 R CB -0.047 30.223 30.300 -0.051 0.000 0.856 111 R HN 0.231 nan 8.270 nan 0.000 0.436 112 K N 0.727 121.195 120.400 0.113 0.000 2.002 112 K HA -0.168 4.153 4.320 0.001 0.000 0.209 112 K C 1.853 178.536 176.600 0.138 0.000 1.048 112 K CA 1.638 58.020 56.287 0.158 0.000 0.930 112 K CB 0.041 32.638 32.500 0.162 0.000 0.714 112 K HN 0.035 nan 8.250 nan 0.000 0.438 113 K N 0.569 121.018 120.400 0.082 0.000 2.103 113 K HA -0.139 4.182 4.320 0.001 0.000 0.207 113 K C 2.175 178.794 176.600 0.031 0.000 1.048 113 K CA 1.418 57.730 56.287 0.042 0.000 0.930 113 K CB -0.152 32.361 32.500 0.023 0.000 0.716 113 K HN 0.196 nan 8.250 nan 0.000 0.444 114 L N -0.154 121.099 121.223 0.049 0.000 2.093 114 L HA -0.179 4.162 4.340 0.001 0.000 0.208 114 L C 2.335 179.249 176.870 0.073 0.000 1.085 114 L CA 0.852 55.715 54.840 0.039 0.000 0.755 114 L CB -0.320 41.758 42.059 0.032 0.000 0.904 114 L HN 0.121 nan 8.230 nan 0.000 0.435 115 F N 1.040 120.984 119.950 -0.010 0.000 2.074 115 F HA -0.161 4.367 4.527 0.002 0.000 0.293 115 F C 2.422 178.222 175.800 0.000 0.000 1.116 115 F CA 1.635 59.635 58.000 0.001 0.000 1.212 115 F CB -0.260 38.745 39.000 0.009 0.000 0.998 115 F HN 0.013 nan 8.300 nan 0.000 0.471 116 E N -0.170 119.906 120.200 -0.207 0.000 2.072 116 E HA -0.204 4.147 4.350 0.001 0.000 0.191 116 E C 2.087 178.558 176.600 -0.215 0.000 0.985 116 E CA 1.689 57.926 56.400 -0.272 0.000 0.801 116 E CB -0.211 29.454 29.700 -0.057 0.000 0.750 116 E HN 0.554 nan 8.360 nan 0.000 0.452 117 E N 0.061 120.185 120.200 -0.126 0.000 2.122 117 E HA -0.014 4.337 4.350 0.001 0.000 0.190 117 E C 1.446 177.979 176.600 -0.112 0.000 0.977 117 E CA 0.610 56.949 56.400 -0.102 0.000 0.820 117 E CB 0.367 30.030 29.700 -0.062 0.000 0.770 117 E HN -0.041 nan 8.360 nan 0.000 0.462 118 K N -0.045 120.288 120.400 -0.112 0.000 2.402 118 K HA 0.221 4.542 4.320 0.001 0.000 0.204 118 K C -0.214 176.322 176.600 -0.108 0.000 1.056 118 K CA -0.100 56.129 56.287 -0.097 0.000 1.069 118 K CB 0.976 33.437 32.500 -0.065 0.000 0.888 118 K HN -0.061 nan 8.250 nan 0.000 0.546 119 R N 1.498 121.889 120.500 -0.182 0.000 3.416 119 R HA -0.177 4.164 4.340 0.001 0.000 0.263 119 R C -0.779 175.526 176.300 0.007 0.000 1.053 119 R CA 0.578 56.572 56.100 -0.176 0.000 0.705 119 R CB -1.450 28.754 30.300 -0.160 0.000 1.124 119 R HN 0.149 nan 8.270 nan 0.000 0.444 120 R N 0.833 121.366 120.500 0.054 0.000 2.265 120 R HA 0.186 4.526 4.340 0.001 0.000 0.328 120 R C -0.071 176.333 176.300 0.173 0.000 0.969 120 R CA -0.717 55.432 56.100 0.082 0.000 0.832 120 R CB 1.131 31.441 30.300 0.016 0.000 1.139 120 R HN 0.193 nan 8.270 nan 0.000 0.457 121 H N 4.879 123.993 119.070 0.073 0.000 2.646 121 H HA 0.128 4.685 4.556 0.002 0.000 0.325 121 H C -0.576 174.744 175.328 -0.014 0.000 1.075 121 H CA -0.286 55.794 56.048 0.053 0.000 1.421 121 H CB 0.865 30.650 29.762 0.037 0.000 1.461 121 H HN 0.343 nan 8.280 nan 0.000 0.525 122 I N 5.742 125.987 120.570 -0.541 0.000 2.337 122 I HA -0.060 4.111 4.170 0.001 0.000 0.285 122 I C 1.106 176.749 176.117 -0.789 0.000 1.041 122 I CA -0.338 60.653 61.300 -0.516 0.000 1.199 122 I CB 0.446 38.266 38.000 -0.300 0.000 1.370 122 I HN 0.691 nan 8.210 nan 0.000 0.470 123 N N 3.675 121.966 118.700 -0.682 0.000 2.459 123 N HA -0.080 4.661 4.740 0.001 0.000 0.181 123 N C 0.740 176.160 175.510 -0.150 0.000 1.046 123 N CA 0.661 53.499 53.050 -0.353 0.000 0.904 123 N CB 0.459 38.936 38.487 -0.017 0.000 0.964 123 N HN 0.744 nan 8.380 nan 0.000 0.444 124 T N -5.011 109.440 114.554 -0.172 0.000 2.883 124 T HA 0.329 4.680 4.350 0.001 0.000 0.284 124 T C 0.934 175.565 174.700 -0.116 0.000 1.041 124 T CA -0.299 61.751 62.100 -0.083 0.000 1.007 124 T CB 1.122 70.004 68.868 0.022 0.000 1.220 124 T HN 0.050 nan 8.240 nan 0.000 0.552 125 T N -1.395 113.126 114.554 -0.055 0.000 3.107 125 T HA 0.231 4.582 4.350 0.001 0.000 0.249 125 T C 1.030 175.709 174.700 -0.035 0.000 1.096 125 T CA -0.040 62.026 62.100 -0.056 0.000 1.012 125 T CB -0.190 68.660 68.868 -0.030 0.000 0.977 125 T HN 0.642 nan 8.240 nan 0.000 0.527 126 S N 3.042 118.731 115.700 -0.019 0.000 2.516 126 S HA 0.093 4.564 4.470 0.001 0.000 0.282 126 S C 0.989 175.557 174.600 -0.053 0.000 1.286 126 S CA -0.558 57.661 58.200 0.032 0.000 1.066 126 S CB 0.250 63.557 63.200 0.179 0.000 0.884 126 S HN 0.520 nan 8.310 nan 0.000 0.491 127 D N 3.598 124.014 120.400 0.027 0.000 2.363 127 D HA 0.006 4.646 4.640 0.001 0.000 0.226 127 D C 1.330 177.612 176.300 -0.030 0.000 1.020 127 D CA 0.443 54.439 54.000 -0.007 0.000 0.892 127 D CB -0.158 40.664 40.800 0.036 0.000 0.900 127 D HN 0.391 nan 8.370 nan 0.000 0.531 128 S N -0.049 115.692 115.700 0.068 0.000 2.436 128 S HA -0.107 4.364 4.470 0.001 0.000 0.228 128 S C 1.670 176.202 174.600 -0.114 0.000 1.014 128 S CA 0.545 58.807 58.200 0.102 0.000 0.950 128 S CB -0.064 63.348 63.200 0.354 0.000 0.784 128 S HN 0.410 nan 8.310 nan 0.000 0.504 129 E N 1.173 121.123 120.200 -0.416 0.000 2.072 129 E HA -0.064 4.287 4.350 0.001 0.000 0.190 129 E C 1.878 178.297 176.600 -0.301 0.000 0.982 129 E CA 0.786 56.802 56.400 -0.641 0.000 0.803 129 E CB -0.095 29.052 29.700 -0.922 0.000 0.755 129 E HN 0.438 nan 8.360 nan 0.000 0.453 130 I N 0.944 121.378 120.570 -0.228 0.000 2.127 130 I HA -0.310 3.861 4.170 0.001 0.000 0.241 130 I C 2.609 178.661 176.117 -0.108 0.000 1.075 130 I CA 0.885 62.099 61.300 -0.143 0.000 1.334 130 I CB -0.261 37.672 38.000 -0.113 0.000 1.040 130 I HN 0.230 nan 8.210 nan 0.000 0.405 131 L N 0.169 121.313 121.223 -0.131 0.000 2.013 131 L HA -0.282 4.058 4.340 0.001 0.000 0.212 131 L C 2.562 179.438 176.870 0.010 0.000 1.073 131 L CA 1.448 56.215 54.840 -0.121 0.000 0.753 131 L CB -0.330 41.577 42.059 -0.253 0.000 0.890 131 L HN 0.274 nan 8.230 nan 0.000 0.432 132 L N -0.272 120.963 121.223 0.021 0.000 2.017 132 L HA -0.252 4.089 4.340 0.001 0.000 0.208 132 L C 2.197 179.120 176.870 0.089 0.000 1.073 132 L CA 1.881 56.791 54.840 0.117 0.000 0.745 132 L CB -0.883 41.218 42.059 0.070 0.000 0.894 132 L HN 0.298 nan 8.230 nan 0.000 0.432 133 N N -0.146 118.552 118.700 -0.003 0.000 2.120 133 N HA -0.160 4.581 4.740 0.001 0.000 0.188 133 N C 1.870 177.385 175.510 0.008 0.000 1.024 133 N CA 1.777 54.815 53.050 -0.021 0.000 0.852 133 N CB -0.086 38.364 38.487 -0.060 0.000 1.003 133 N HN 0.354 nan 8.380 nan 0.000 0.424 134 I N 0.920 121.505 120.570 0.025 0.000 2.179 134 I HA -0.257 3.914 4.170 0.001 0.000 0.242 134 I C 2.280 178.464 176.117 0.111 0.000 1.088 134 I CA 0.989 62.312 61.300 0.038 0.000 1.357 134 I CB -1.040 36.970 38.000 0.016 0.000 1.051 134 I HN 0.026 nan 8.210 nan 0.000 0.409 135 F N 2.323 122.255 119.950 -0.030 0.000 2.069 135 F HA -0.194 4.334 4.527 0.002 0.000 0.298 135 F C 2.568 178.370 175.800 0.004 0.000 1.113 135 F CA 1.479 59.470 58.000 -0.014 0.000 1.214 135 F CB -0.827 38.194 39.000 0.034 0.000 0.978 135 F HN 0.046 nan 8.300 nan 0.000 0.474 136 A N -0.206 122.549 122.820 -0.108 0.000 1.978 136 A HA -0.214 4.107 4.320 0.001 0.000 0.220 136 A C 2.424 179.925 177.584 -0.138 0.000 1.170 136 A CA 2.483 54.395 52.037 -0.208 0.000 0.636 136 A CB -1.369 17.572 19.000 -0.098 0.000 0.810 136 A HN 0.564 nan 8.150 nan 0.000 0.448 137 S N -0.531 115.123 115.700 -0.077 0.000 2.357 137 S HA -0.146 4.325 4.470 0.001 0.000 0.221 137 S C 1.696 176.247 174.600 -0.080 0.000 1.031 137 S CA 1.231 59.389 58.200 -0.071 0.000 0.982 137 S CB -0.421 62.748 63.200 -0.051 0.000 0.853 137 S HN 0.478 nan 8.310 nan 0.000 0.458 138 E N 1.871 122.040 120.200 -0.053 0.000 2.097 138 E HA -0.077 4.274 4.350 0.001 0.000 0.196 138 E C 2.054 178.612 176.600 -0.071 0.000 1.000 138 E CA 1.111 57.481 56.400 -0.050 0.000 0.804 138 E CB -0.692 29.038 29.700 0.052 0.000 0.740 138 E HN 0.588 nan 8.360 nan 0.000 0.454 139 L N 0.872 122.057 121.223 -0.063 0.000 2.465 139 L HA -0.133 4.208 4.340 0.001 0.000 0.224 139 L C 1.976 178.938 176.870 0.152 0.000 1.145 139 L CA 0.596 55.479 54.840 0.072 0.000 0.834 139 L CB -0.137 41.827 42.059 -0.159 0.000 0.944 139 L HN -0.032 nan 8.230 nan 0.000 0.451 140 D N 0.062 120.452 120.400 -0.018 0.000 2.194 140 D HA -0.114 4.527 4.640 0.001 0.000 0.204 140 D C 1.563 177.817 176.300 -0.077 0.000 0.964 140 D CA 0.645 54.622 54.000 -0.039 0.000 0.846 140 D CB 0.031 40.779 40.800 -0.087 0.000 0.962 140 D HN 0.162 nan 8.370 nan 0.000 0.490 141 N N -0.007 118.556 118.700 -0.227 0.000 2.680 141 N HA -0.088 4.653 4.740 0.001 0.000 0.197 141 N C -0.560 174.717 175.510 -0.389 0.000 1.288 141 N CA 0.381 53.233 53.050 -0.331 0.000 0.924 141 N CB -0.170 38.054 38.487 -0.438 0.000 1.025 141 N HN 0.174 nan 8.380 nan 0.000 0.447 142 F N -0.577 119.425 119.950 0.086 0.000 2.469 142 F HA 0.418 4.946 4.527 0.001 0.000 0.332 142 F C 1.630 177.556 175.800 0.210 0.000 1.103 142 F CA -0.937 57.170 58.000 0.179 0.000 0.979 142 F CB 1.735 40.892 39.000 0.261 0.000 1.137 142 F HN -0.308 nan 8.300 nan 0.000 0.463 143 R N -0.026 120.736 120.500 0.435 0.000 2.087 143 R HA 0.014 4.355 4.340 0.001 0.000 0.213 143 R C 0.617 177.150 176.300 0.389 0.000 1.137 143 R CA 0.143 56.424 56.100 0.302 0.000 1.022 143 R CB -0.285 30.124 30.300 0.182 0.000 0.920 143 R HN 0.682 nan 8.270 nan 0.000 0.451 144 H N -0.532 118.658 119.070 0.199 0.000 2.935 144 H HA -0.063 4.494 4.556 0.001 0.000 0.376 144 H C -0.951 174.549 175.328 0.288 0.000 1.307 144 H CA 0.248 56.409 56.048 0.188 0.000 1.442 144 H CB 0.087 29.914 29.762 0.108 0.000 1.427 144 H HN 0.123 nan 8.280 nan 0.000 0.615 145 Y N 1.057 121.371 120.300 0.023 0.000 2.436 145 Y HA 0.326 4.876 4.550 0.001 0.000 0.327 145 Y C -2.617 173.258 175.900 -0.042 0.000 1.138 145 Y CA -1.768 56.316 58.100 -0.026 0.000 1.042 145 Y CB 1.424 39.960 38.460 0.128 0.000 1.302 145 Y HN 0.831 nan 8.280 nan 0.000 0.439 146 P HA 0.352 nan 4.420 nan 0.000 0.276 146 P C -0.937 175.975 177.300 -0.646 0.000 1.252 146 P CA -0.486 61.945 63.100 -1.114 0.000 0.802 146 P CB 1.638 32.698 31.700 -1.066 0.000 1.035 147 L N 1.304 122.246 121.223 -0.468 0.000 2.426 147 L HA 0.124 4.465 4.340 0.001 0.000 0.271 147 L C 1.159 177.791 176.870 -0.397 0.000 1.169 147 L CA -0.267 54.222 54.840 -0.585 0.000 0.836 147 L CB 0.169 41.813 42.059 -0.693 0.000 1.112 147 L HN 0.363 nan 8.230 nan 0.000 0.465 148 E N 1.179 121.158 120.200 -0.367 0.000 2.319 148 E HA 0.159 4.510 4.350 0.001 0.000 0.268 148 E C 0.730 177.081 176.600 -0.416 0.000 1.050 148 E CA 0.006 56.238 56.400 -0.280 0.000 0.878 148 E CB 1.407 31.010 29.700 -0.161 0.000 1.066 148 E HN 0.666 nan 8.360 nan 0.000 0.406 149 A N 2.997 125.554 122.820 -0.438 0.000 1.958 149 A HA -0.266 4.055 4.320 0.001 0.000 0.221 149 A C 1.561 178.902 177.584 -0.405 0.000 1.178 149 A CA 2.058 53.717 52.037 -0.631 0.000 0.642 149 A CB -0.360 18.152 19.000 -0.814 0.000 0.816 149 A HN 0.630 nan 8.150 nan 0.000 0.453 150 D N -0.445 119.858 120.400 -0.162 0.000 2.123 150 D HA -0.158 4.483 4.640 0.001 0.000 0.196 150 D C 1.690 177.914 176.300 -0.127 0.000 0.992 150 D CA 1.714 55.707 54.000 -0.012 0.000 0.833 150 D CB -0.372 40.409 40.800 -0.032 0.000 0.954 150 D HN 0.711 nan 8.370 nan 0.000 0.455 151 N N 0.445 118.931 118.700 -0.357 0.000 2.188 151 N HA -0.093 4.648 4.740 0.001 0.000 0.184 151 N C 2.005 177.274 175.510 -0.403 0.000 1.018 151 N CA 0.533 53.207 53.050 -0.626 0.000 0.858 151 N CB 0.002 37.774 38.487 -1.191 0.000 0.989 151 N HN 0.138 nan 8.380 nan 0.000 0.426 152 I N 0.099 120.362 120.570 -0.511 0.000 2.202 152 I HA -0.207 3.964 4.170 0.001 0.000 0.242 152 I C 1.294 177.224 176.117 -0.311 0.000 1.091 152 I CA 1.128 62.133 61.300 -0.491 0.000 1.368 152 I CB -0.207 37.253 38.000 -0.901 0.000 1.058 152 I HN 0.038 nan 8.210 nan 0.000 0.410 153 F N 0.756 120.614 119.950 -0.154 0.000 2.293 153 F HA -0.121 4.406 4.527 0.001 0.000 0.300 153 F C 2.458 178.232 175.800 -0.043 0.000 1.086 153 F CA 0.992 58.936 58.000 -0.094 0.000 1.375 153 F CB -1.007 37.945 39.000 -0.081 0.000 1.045 153 F HN 0.004 nan 8.300 nan 0.000 0.516 154 A N -0.164 122.748 122.820 0.154 0.000 1.930 154 A HA 0.128 4.449 4.320 0.001 0.000 0.215 154 A C 2.415 180.101 177.584 0.170 0.000 1.176 154 A CA 1.248 53.385 52.037 0.167 0.000 0.632 154 A CB -1.094 18.045 19.000 0.231 0.000 0.819 154 A HN 0.253 nan 8.150 nan 0.000 0.445 155 A N 0.085 123.034 122.820 0.215 0.000 1.898 155 A HA -0.039 4.282 4.320 0.001 0.000 0.216 155 A C 2.094 179.792 177.584 0.189 0.000 1.181 155 A CA 1.445 53.631 52.037 0.249 0.000 0.620 155 A CB -0.565 18.621 19.000 0.311 0.000 0.819 155 A HN 0.471 nan 8.150 nan 0.000 0.442 156 I N -0.242 120.363 120.570 0.058 0.000 2.179 156 I HA -0.271 3.900 4.170 0.001 0.000 0.242 156 I C 3.005 179.017 176.117 -0.176 0.000 1.088 156 I CA 1.039 62.164 61.300 -0.292 0.000 1.357 156 I CB -0.372 37.348 38.000 -0.466 0.000 1.051 156 I HN 0.350 nan 8.210 nan 0.000 0.409 157 A N 0.789 123.584 122.820 -0.041 0.000 1.917 157 A HA -0.244 4.077 4.320 0.001 0.000 0.219 157 A C 2.509 180.093 177.584 0.001 0.000 1.182 157 A CA 2.152 54.186 52.037 -0.006 0.000 0.633 157 A CB -0.926 18.095 19.000 0.035 0.000 0.819 157 A HN 0.462 nan 8.150 nan 0.000 0.448 158 A N -1.397 121.435 122.820 0.019 0.000 1.969 158 A HA -0.031 4.290 4.320 0.001 0.000 0.218 158 A C 2.272 179.859 177.584 0.006 0.000 1.169 158 A CA 2.154 54.203 52.037 0.019 0.000 0.635 158 A CB -1.098 17.918 19.000 0.028 0.000 0.810 158 A HN 0.440 nan 8.150 nan 0.000 0.445 159 T N 0.820 115.368 114.554 -0.010 0.000 2.708 159 T HA -0.128 4.223 4.350 0.001 0.000 0.266 159 T C 1.807 176.480 174.700 -0.045 0.000 1.037 159 T CA 1.384 63.463 62.100 -0.035 0.000 1.146 159 T CB -0.407 68.392 68.868 -0.115 0.000 0.865 159 T HN 0.500 nan 8.240 nan 0.000 0.435 160 N N 0.760 119.436 118.700 -0.041 0.000 2.348 160 N HA -0.060 4.681 4.740 0.001 0.000 0.185 160 N C 2.028 177.570 175.510 0.053 0.000 1.019 160 N CA 0.828 53.902 53.050 0.040 0.000 0.880 160 N CB -0.116 38.410 38.487 0.065 0.000 0.965 160 N HN 0.191 nan 8.380 nan 0.000 0.437 161 R N 0.613 121.130 120.500 0.027 0.000 2.062 161 R HA 0.172 4.513 4.340 0.001 0.000 0.226 161 R C 2.302 178.619 176.300 0.029 0.000 1.125 161 R CA 0.533 56.651 56.100 0.030 0.000 0.966 161 R CB -0.600 29.711 30.300 0.019 0.000 0.861 161 R HN 0.183 nan 8.270 nan 0.000 0.433 162 L N 0.769 122.002 121.223 0.015 0.000 2.027 162 L HA 0.036 4.377 4.340 0.001 0.000 0.206 162 L C 1.165 178.044 176.870 0.015 0.000 1.074 162 L CA 0.592 55.439 54.840 0.011 0.000 0.745 162 L CB -0.533 41.526 42.059 0.001 0.000 0.898 162 L HN 0.197 nan 8.230 nan 0.000 0.433 163 I N -1.300 119.270 120.570 0.000 0.000 2.662 163 I HA 0.312 4.483 4.170 0.001 0.000 0.291 163 I C -0.230 175.933 176.117 0.077 0.000 1.046 163 I CA -0.316 60.982 61.300 -0.004 0.000 1.361 163 I CB 0.937 38.861 38.000 -0.126 0.000 1.429 163 I HN 0.090 nan 8.210 nan 0.000 0.558 164 R N 3.647 124.212 120.500 0.108 0.000 2.621 164 R HA 0.738 5.079 4.340 0.001 0.000 0.284 164 R C -0.284 176.155 176.300 0.232 0.000 0.998 164 R CA -0.283 55.921 56.100 0.173 0.000 0.895 164 R CB 2.135 32.512 30.300 0.127 0.000 1.195 164 R HN 1.127 nan 8.270 nan 0.000 0.450 165 G N 0.822 109.798 108.800 0.293 0.000 2.288 165 G HA2 0.316 4.277 3.960 0.001 0.000 0.227 165 G HA3 0.316 4.277 3.960 0.001 0.000 0.227 165 G C -1.872 173.176 174.900 0.246 0.000 1.339 165 G CA -0.246 45.059 45.100 0.341 0.000 1.057 165 G HN 0.717 nan 8.290 nan 0.000 0.470 166 A N -0.596 122.396 122.820 0.286 0.000 2.365 166 A HA 1.056 5.377 4.320 0.001 0.000 0.318 166 A C -0.890 176.831 177.584 0.228 0.000 1.091 166 A CA -0.067 51.985 52.037 0.026 0.000 0.763 166 A CB 1.240 20.244 19.000 0.006 0.000 1.248 166 A HN 2.257 nan 8.150 nan 0.000 0.442 167 Y N -2.093 118.283 120.300 0.127 0.000 2.583 167 Y HA 0.683 5.234 4.550 0.002 0.000 0.330 167 Y C -0.657 175.294 175.900 0.085 0.000 1.185 167 Y CA -0.861 57.353 58.100 0.191 0.000 1.107 167 Y CB 0.700 39.248 38.460 0.147 0.000 1.344 167 Y HN 1.228 nan 8.280 nan 0.000 0.463 168 A N 1.553 124.494 122.820 0.200 0.000 2.343 168 A HA 0.857 5.177 4.320 0.001 0.000 0.308 168 A C -1.351 176.247 177.584 0.023 0.000 1.092 168 A CA -0.637 51.430 52.037 0.050 0.000 0.751 168 A CB 0.779 19.800 19.000 0.034 0.000 1.203 168 A HN 1.007 nan 8.150 nan 0.000 0.452 169 C N 1.289 120.439 119.300 -0.249 0.000 2.698 169 C HA 0.796 5.257 4.460 0.001 0.000 0.309 169 C C -0.173 174.620 174.990 -0.328 0.000 1.186 169 C CA -0.713 58.074 59.018 -0.386 0.000 1.474 169 C CB 1.156 28.338 27.740 -0.930 0.000 2.020 169 C HN 0.871 nan 8.230 nan 0.000 0.474 170 V N 2.436 122.282 119.914 -0.113 0.000 2.735 170 V HA 0.984 5.105 4.120 0.001 0.000 0.310 170 V C -0.316 175.813 176.094 0.060 0.000 1.061 170 V CA 0.212 62.512 62.300 0.000 0.000 0.913 170 V CB 1.765 33.614 31.823 0.042 0.000 1.005 170 V HN 1.367 nan 8.190 nan 0.000 0.428 171 A N 6.599 129.506 122.820 0.146 0.000 2.602 171 A HA 0.963 5.284 4.320 0.001 0.000 0.290 171 A C -1.301 176.441 177.584 0.264 0.000 1.114 171 A CA -0.800 51.367 52.037 0.216 0.000 0.683 171 A CB 2.136 21.326 19.000 0.317 0.000 1.281 171 A HN 0.843 nan 8.150 nan 0.000 0.416 172 M N 0.620 120.400 119.600 0.299 0.000 2.550 172 M HA 0.585 5.066 4.480 0.001 0.000 0.292 172 M C -1.450 175.101 176.300 0.419 0.000 1.221 172 M CA -0.169 55.340 55.300 0.349 0.000 0.873 172 M CB 2.295 35.117 32.600 0.371 0.000 1.727 172 M HN 0.553 nan 8.290 nan 0.000 0.459 173 I N 2.936 123.720 120.570 0.356 0.000 2.499 173 I HA 0.407 4.578 4.170 0.001 0.000 0.288 173 I C -0.336 175.944 176.117 0.273 0.000 1.048 173 I CA -1.034 60.434 61.300 0.280 0.000 1.062 173 I CB 1.913 39.943 38.000 0.049 0.000 1.238 173 I HN 0.554 nan 8.210 nan 0.000 0.426 174 I N 4.820 125.519 120.570 0.215 0.000 2.775 174 I HA 0.035 4.205 4.170 0.001 0.000 0.290 174 I C 1.519 177.822 176.117 0.311 0.000 1.203 174 I CA 1.206 62.576 61.300 0.117 0.000 1.433 174 I CB 0.049 38.036 38.000 -0.023 0.000 1.354 174 I HN 1.064 nan 8.210 nan 0.000 0.579 175 G N 4.836 113.747 108.800 0.184 0.000 2.205 175 G HA2 -0.302 3.658 3.960 0.001 0.000 0.261 175 G HA3 -0.302 3.658 3.960 0.001 0.000 0.261 175 G C 0.578 175.358 174.900 -0.200 0.000 0.980 175 G CA 0.755 45.909 45.100 0.089 0.000 0.632 175 G HN 0.730 nan 8.290 nan 0.000 0.533 176 H N -0.783 118.301 119.070 0.024 0.000 2.451 176 H HA 0.572 5.129 4.556 0.001 0.000 0.240 176 H C 1.610 177.035 175.328 0.162 0.000 1.071 176 H CA 1.464 57.545 56.048 0.055 0.000 1.477 176 H CB 0.007 29.754 29.762 -0.024 0.000 1.376 176 H HN 1.044 nan 8.280 nan 0.000 0.549 177 G N -0.458 108.571 108.800 0.381 0.000 2.498 177 G HA2 0.283 4.244 3.960 0.001 0.000 0.181 177 G HA3 0.283 4.244 3.960 0.001 0.000 0.181 177 G C -1.494 173.587 174.900 0.302 0.000 1.169 177 G CA -0.284 44.966 45.100 0.251 0.000 0.992 177 G HN 0.273 nan 8.290 nan 0.000 0.490 178 M N 0.957 120.708 119.600 0.252 0.000 2.464 178 M HA 0.714 5.194 4.480 0.001 0.000 0.308 178 M C -1.036 175.458 176.300 0.324 0.000 1.127 178 M CA -1.021 54.437 55.300 0.264 0.000 0.913 178 M CB 2.186 34.895 32.600 0.181 0.000 1.689 178 M HN 1.189 nan 8.290 nan 0.000 0.445 179 V N 1.776 121.879 119.914 0.314 0.000 2.789 179 V HA 1.051 5.172 4.120 0.001 0.000 0.311 179 V C -1.331 174.928 176.094 0.276 0.000 1.073 179 V CA -0.355 62.138 62.300 0.321 0.000 0.921 179 V CB 1.431 33.426 31.823 0.287 0.000 1.009 179 V HN 1.059 nan 8.190 nan 0.000 0.426 180 A N 4.767 127.754 122.820 0.277 0.000 2.401 180 A HA 1.073 5.394 4.320 0.001 0.000 0.310 180 A C -0.969 176.813 177.584 0.329 0.000 1.075 180 A CA -0.562 51.591 52.037 0.194 0.000 0.746 180 A CB 1.585 20.664 19.000 0.131 0.000 1.277 180 A HN 2.138 nan 8.150 nan 0.000 0.425 181 F N -0.697 119.303 119.950 0.084 0.000 2.693 181 F HA 0.858 5.386 4.527 0.002 0.000 0.309 181 F C -0.920 174.949 175.800 0.114 0.000 1.129 181 F CA -0.930 57.125 58.000 0.092 0.000 0.948 181 F CB 1.454 40.493 39.000 0.065 0.000 1.315 181 F HN 0.679 nan 8.300 nan 0.000 0.447 182 R N 1.491 122.162 120.500 0.285 0.000 2.686 182 R HA 0.433 4.774 4.340 0.001 0.000 0.286 182 R C -1.146 175.152 176.300 -0.002 0.000 0.969 182 R CA -0.655 55.501 56.100 0.092 0.000 0.898 182 R CB 1.438 31.764 30.300 0.044 0.000 1.183 182 R HN 0.924 nan 8.270 nan 0.000 0.456 183 D N 3.725 123.866 120.400 -0.432 0.000 2.370 183 D HA -0.030 4.611 4.640 0.001 0.000 0.235 183 D C -1.762 174.404 176.300 -0.224 0.000 1.228 183 D CA -0.887 52.678 54.000 -0.725 0.000 0.884 183 D CB 0.456 40.546 40.800 -1.184 0.000 1.201 183 D HN 0.259 nan 8.370 nan 0.000 0.456 184 P HA -0.078 nan 4.420 nan 0.000 0.220 184 P C -0.034 177.228 177.300 -0.064 0.000 1.148 184 P CA 1.136 64.211 63.100 -0.041 0.000 0.803 184 P CB 0.031 31.731 31.700 -0.000 0.000 0.782 185 N N -1.372 117.259 118.700 -0.115 0.000 2.268 185 N HA 0.199 4.940 4.740 0.001 0.000 0.204 185 N C 0.910 176.363 175.510 -0.093 0.000 1.124 185 N CA 0.435 53.422 53.050 -0.105 0.000 0.838 185 N CB -0.546 37.851 38.487 -0.149 0.000 0.994 185 N HN -0.045 nan 8.380 nan 0.000 0.489 186 G N 1.059 109.805 108.800 -0.090 0.000 2.416 186 G HA2 -0.314 3.647 3.960 0.001 0.000 0.301 186 G HA3 -0.314 3.647 3.960 0.001 0.000 0.301 186 G C 0.856 175.735 174.900 -0.034 0.000 0.985 186 G CA 0.570 45.642 45.100 -0.047 0.000 0.934 186 G HN 0.410 nan 8.290 nan 0.000 0.513 187 I N -1.053 119.459 120.570 -0.097 0.000 2.110 187 I HA -0.014 4.157 4.170 0.001 0.000 0.236 187 I C 1.939 178.037 176.117 -0.031 0.000 1.068 187 I CA 0.963 62.216 61.300 -0.078 0.000 1.333 187 I CB -0.137 37.747 38.000 -0.194 0.000 1.054 187 I HN 0.178 nan 8.210 nan 0.000 0.402 188 R N 1.945 122.409 120.500 -0.059 0.000 2.490 188 R HA 0.202 4.543 4.340 0.001 0.000 0.280 188 R C -2.337 173.961 176.300 -0.002 0.000 1.077 188 R CA -1.600 54.484 56.100 -0.027 0.000 1.065 188 R CB 0.439 30.727 30.300 -0.020 0.000 1.003 188 R HN -0.002 nan 8.270 nan 0.000 0.470 189 P HA 0.190 nan 4.420 nan 0.000 0.278 189 P C -1.360 175.969 177.300 0.049 0.000 1.238 189 P CA -0.305 62.819 63.100 0.041 0.000 0.794 189 P CB 1.127 32.849 31.700 0.038 0.000 0.955 190 L N 3.053 124.319 121.223 0.071 0.000 2.666 190 L HA 0.404 4.745 4.340 0.001 0.000 0.259 190 L C -1.133 175.794 176.870 0.096 0.000 0.919 190 L CA -0.753 54.129 54.840 0.071 0.000 0.927 190 L CB 1.769 43.859 42.059 0.052 0.000 1.423 190 L HN 0.342 nan 8.230 nan 0.000 0.426 191 V N 2.154 122.130 119.914 0.103 0.000 3.040 191 V HA 0.860 4.981 4.120 0.001 0.000 0.312 191 V C -1.569 174.548 176.094 0.039 0.000 1.115 191 V CA -0.859 61.505 62.300 0.106 0.000 0.998 191 V CB 2.024 34.010 31.823 0.272 0.000 1.042 191 V HN 0.871 nan 8.190 nan 0.000 0.433 192 L N 2.336 123.523 121.223 -0.060 0.000 2.362 192 L HA 1.077 5.418 4.340 0.001 0.000 0.271 192 L C 0.101 176.924 176.870 -0.079 0.000 1.002 192 L CA 0.557 55.377 54.840 -0.034 0.000 0.818 192 L CB 1.585 43.626 42.059 -0.031 0.000 1.298 192 L HN 1.289 nan 8.230 nan 0.000 0.420 193 G N 3.017 111.871 108.800 0.089 0.000 2.695 193 G HA2 0.707 4.668 3.960 0.001 0.000 0.290 193 G HA3 0.707 4.668 3.960 0.001 0.000 0.290 193 G C -1.973 173.138 174.900 0.352 0.000 1.410 193 G CA -0.677 44.528 45.100 0.175 0.000 0.844 193 G HN 0.833 nan 8.290 nan 0.000 0.478 194 K N -0.967 119.607 120.400 0.292 0.000 2.522 194 K HA 0.815 5.136 4.320 0.001 0.000 0.275 194 K C -1.226 175.185 176.600 -0.314 0.000 1.006 194 K CA -1.180 55.133 56.287 0.044 0.000 0.890 194 K CB 2.548 34.912 32.500 -0.226 0.000 1.475 194 K HN 0.515 nan 8.250 nan 0.000 0.441 195 R N 1.488 121.574 120.500 -0.690 0.000 2.512 195 R HA 0.180 4.521 4.340 0.001 0.000 0.291 195 R C -1.540 174.468 176.300 -0.486 0.000 1.097 195 R CA -0.504 55.141 56.100 -0.759 0.000 0.940 195 R CB 1.446 30.907 30.300 -1.399 0.000 1.198 195 R HN 0.842 nan 8.270 nan 0.000 0.429 196 D N 5.848 126.055 120.400 -0.321 0.000 2.308 196 D HA 0.138 4.779 4.640 0.001 0.000 0.251 196 D C 1.208 177.393 176.300 -0.191 0.000 1.127 196 D CA -0.204 53.657 54.000 -0.231 0.000 0.876 196 D CB 1.609 42.311 40.800 -0.164 0.000 1.176 196 D HN 0.418 nan 8.370 nan 0.000 0.446 197 I N 0.998 121.473 120.570 -0.158 0.000 3.526 197 I HA -0.001 4.170 4.170 0.001 0.000 0.294 197 I C 0.503 176.570 176.117 -0.083 0.000 1.229 197 I CA 0.625 61.856 61.300 -0.114 0.000 1.408 197 I CB -0.498 37.444 38.000 -0.096 0.000 1.127 197 I HN 0.503 nan 8.210 nan 0.000 0.439 198 D N -1.439 118.911 120.400 -0.083 0.000 2.943 198 D HA -0.057 4.584 4.640 0.001 0.000 0.331 198 D C 0.298 176.563 176.300 -0.058 0.000 1.375 198 D CA -0.420 53.543 54.000 -0.062 0.000 0.746 198 D CB 0.494 41.266 40.800 -0.046 0.000 1.322 198 D HN -0.219 nan 8.370 nan 0.000 0.454 199 E N -0.396 119.778 120.200 -0.044 0.000 2.108 199 E HA -0.151 4.200 4.350 0.001 0.000 0.203 199 E C 0.683 177.262 176.600 -0.035 0.000 1.022 199 E CA 2.187 58.565 56.400 -0.036 0.000 0.823 199 E CB -0.419 29.265 29.700 -0.027 0.000 0.744 199 E HN 0.428 nan 8.360 nan 0.000 0.456 200 N N -0.530 118.150 118.700 -0.032 0.000 2.214 200 N HA 0.196 4.937 4.740 0.001 0.000 0.214 200 N C -0.895 174.597 175.510 -0.030 0.000 1.132 200 N CA -0.007 53.027 53.050 -0.026 0.000 0.856 200 N CB 0.731 39.207 38.487 -0.018 0.000 1.020 200 N HN -0.087 nan 8.380 nan 0.000 0.509 201 R N -0.599 119.873 120.500 -0.047 0.000 2.518 201 R HA 0.444 4.785 4.340 0.001 0.000 0.296 201 R C -1.281 174.957 176.300 -0.104 0.000 1.080 201 R CA -0.343 55.723 56.100 -0.056 0.000 0.922 201 R CB 1.645 31.918 30.300 -0.045 0.000 1.184 201 R HN -0.113 nan 8.270 nan 0.000 0.445 202 T N 2.085 116.561 114.554 -0.129 0.000 2.841 202 T HA 0.308 4.659 4.350 0.001 0.000 0.285 202 T C -0.714 173.806 174.700 -0.301 0.000 0.991 202 T CA -0.832 61.105 62.100 -0.272 0.000 0.966 202 T CB 1.667 70.321 68.868 -0.357 0.000 0.962 202 T HN 0.382 nan 8.240 nan 0.000 0.438 203 E N 2.077 122.086 120.200 -0.318 0.000 2.231 203 E HA 0.469 4.820 4.350 0.001 0.000 0.277 203 E C -1.172 175.370 176.600 -0.096 0.000 0.999 203 E CA -0.672 55.672 56.400 -0.094 0.000 0.827 203 E CB 1.512 31.216 29.700 0.006 0.000 1.101 203 E HN 0.536 nan 8.360 nan 0.000 0.393 204 Y N 1.347 121.814 120.300 0.279 0.000 2.536 204 Y HA 0.484 5.034 4.550 0.001 0.000 0.347 204 Y C 0.221 176.267 175.900 0.243 0.000 1.000 204 Y CA -0.992 57.276 58.100 0.279 0.000 1.051 204 Y CB 1.834 40.365 38.460 0.118 0.000 1.259 204 Y HN 0.474 nan 8.280 nan 0.000 0.468 205 M N 1.852 121.622 119.600 0.283 0.000 2.569 205 M HA 0.895 5.376 4.480 0.001 0.000 0.279 205 M C -2.036 174.275 176.300 0.019 0.000 1.253 205 M CA -1.039 54.256 55.300 -0.009 0.000 0.867 205 M CB 2.575 34.879 32.600 -0.494 0.000 1.727 205 M HN 0.391 nan 8.290 nan 0.000 0.467 206 V N -0.919 118.993 119.914 -0.004 0.000 2.962 206 V HA 1.098 5.219 4.120 0.001 0.000 0.313 206 V C -0.886 175.207 176.094 -0.002 0.000 1.099 206 V CA -0.066 62.247 62.300 0.021 0.000 0.971 206 V CB 1.102 32.953 31.823 0.047 0.000 1.028 206 V HN 1.497 nan 8.190 nan 0.000 0.430 207 A N 1.722 124.553 122.820 0.019 0.000 2.610 207 A HA 0.755 5.076 4.320 0.001 0.000 0.291 207 A C 0.484 178.090 177.584 0.037 0.000 1.086 207 A CA 0.138 52.183 52.037 0.013 0.000 0.677 207 A CB 1.213 20.212 19.000 -0.002 0.000 1.278 207 A HN 1.048 nan 8.150 nan 0.000 0.414 208 S N -0.141 115.572 115.700 0.022 0.000 2.402 208 S HA 0.020 4.491 4.470 0.001 0.000 0.229 208 S C 0.462 175.096 174.600 0.056 0.000 1.021 208 S CA 1.433 59.653 58.200 0.033 0.000 0.974 208 S CB -0.125 63.080 63.200 0.008 0.000 0.800 208 S HN 0.639 nan 8.310 nan 0.000 0.484 209 E N -0.234 120.001 120.200 0.058 0.000 2.340 209 E HA 0.289 4.640 4.350 0.001 0.000 0.273 209 E C 0.168 176.832 176.600 0.106 0.000 0.891 209 E CA -0.221 56.228 56.400 0.081 0.000 0.757 209 E CB 1.828 31.568 29.700 0.067 0.000 1.231 209 E HN 0.148 nan 8.360 nan 0.000 0.439 210 S N 0.338 116.128 115.700 0.150 0.000 2.419 210 S HA -0.173 4.298 4.470 0.001 0.000 0.233 210 S C 2.062 176.741 174.600 0.132 0.000 1.016 210 S CA 1.243 59.564 58.200 0.201 0.000 0.974 210 S CB -0.725 62.614 63.200 0.232 0.000 0.786 210 S HN 0.474 nan 8.310 nan 0.000 0.492 211 V N 0.563 120.521 119.914 0.073 0.000 2.453 211 V HA -0.131 3.990 4.120 0.001 0.000 0.252 211 V C 2.596 178.717 176.094 0.045 0.000 1.068 211 V CA 1.458 63.783 62.300 0.041 0.000 1.070 211 V CB -1.827 29.997 31.823 0.001 0.000 0.664 211 V HN 0.523 nan 8.190 nan 0.000 0.461 212 A N 0.320 123.166 122.820 0.042 0.000 1.969 212 A HA 0.036 4.357 4.320 0.001 0.000 0.218 212 A C 2.064 179.653 177.584 0.009 0.000 1.169 212 A CA 1.886 53.928 52.037 0.010 0.000 0.635 212 A CB -0.490 18.502 19.000 -0.014 0.000 0.810 212 A HN 0.491 nan 8.150 nan 0.000 0.445 213 L N 0.042 121.302 121.223 0.063 0.000 2.068 213 L HA -0.066 4.275 4.340 0.001 0.000 0.204 213 L C 1.932 178.902 176.870 0.167 0.000 1.076 213 L CA 1.697 56.600 54.840 0.106 0.000 0.753 213 L CB -0.933 41.253 42.059 0.211 0.000 0.910 213 L HN 0.259 nan 8.230 nan 0.000 0.439 214 D N -0.599 119.888 120.400 0.147 0.000 2.103 214 D HA -0.213 4.427 4.640 0.001 0.000 0.190 214 D C 2.082 178.445 176.300 0.104 0.000 0.997 214 D CA 1.975 56.050 54.000 0.125 0.000 0.833 214 D CB -0.463 40.394 40.800 0.094 0.000 0.961 214 D HN 0.198 nan 8.370 nan 0.000 0.447 215 T N 0.389 114.987 114.554 0.075 0.000 2.897 215 T HA -0.073 4.277 4.350 0.001 0.000 0.271 215 T C 1.766 176.518 174.700 0.087 0.000 1.084 215 T CA 0.524 62.661 62.100 0.061 0.000 1.123 215 T CB -0.082 68.805 68.868 0.033 0.000 0.865 215 T HN 0.126 nan 8.240 nan 0.000 0.496 216 L N -0.549 120.750 121.223 0.127 0.000 2.585 216 L HA 0.286 4.627 4.340 0.001 0.000 0.226 216 L C 1.747 178.795 176.870 0.298 0.000 1.113 216 L CA 0.362 55.324 54.840 0.204 0.000 0.876 216 L CB -0.006 42.153 42.059 0.167 0.000 1.072 216 L HN 0.420 nan 8.230 nan 0.000 0.468 217 G N 0.212 109.153 108.800 0.234 0.000 2.132 217 G HA2 -0.286 3.675 3.960 0.001 0.000 0.228 217 G HA3 -0.286 3.675 3.960 0.001 0.000 0.228 217 G C -0.135 174.853 174.900 0.147 0.000 1.000 217 G CA -0.436 44.756 45.100 0.153 0.000 0.693 217 G HN 0.120 nan 8.290 nan 0.000 0.515 218 F N 1.836 121.809 119.950 0.039 0.000 2.408 218 F HA 0.398 4.925 4.527 0.001 0.000 0.344 218 F C 0.653 176.492 175.800 0.065 0.000 1.112 218 F CA -1.169 56.853 58.000 0.036 0.000 1.096 218 F CB 1.017 40.044 39.000 0.046 0.000 1.129 218 F HN 0.010 nan 8.300 nan 0.000 0.486 219 D N 3.746 124.226 120.400 0.133 0.000 2.390 219 D HA -0.027 4.614 4.640 0.001 0.000 0.249 219 D C -0.243 176.184 176.300 0.211 0.000 1.144 219 D CA 0.030 54.111 54.000 0.136 0.000 0.880 219 D CB 0.664 41.490 40.800 0.043 0.000 1.182 219 D HN 0.289 nan 8.370 nan 0.000 0.451 220 F N 2.458 122.462 119.950 0.088 0.000 2.543 220 F HA 0.049 4.577 4.527 0.002 0.000 0.375 220 F C 0.555 176.400 175.800 0.075 0.000 1.075 220 F CA -0.049 58.006 58.000 0.092 0.000 1.225 220 F CB 0.426 39.465 39.000 0.065 0.000 1.099 220 F HN 0.287 nan 8.300 nan 0.000 0.561 221 L N 5.097 125.979 121.223 -0.568 0.000 2.276 221 L HA 0.331 4.672 4.340 0.001 0.000 0.194 221 L C 0.132 176.579 176.870 -0.705 0.000 1.099 221 L CA 0.085 54.681 54.840 -0.406 0.000 0.800 221 L CB -0.070 41.886 42.059 -0.170 0.000 0.994 221 L HN 0.706 nan 8.230 nan 0.000 0.475 222 R N -1.460 118.438 120.500 -1.003 0.000 3.139 222 R HA 0.193 4.534 4.340 0.001 0.000 0.287 222 R C -1.959 174.163 176.300 -0.296 0.000 0.978 222 R CA -0.927 54.802 56.100 -0.619 0.000 0.837 222 R CB 0.138 30.334 30.300 -0.174 0.000 1.330 222 R HN -0.231 nan 8.270 nan 0.000 0.527 223 D N 0.663 121.081 120.400 0.031 0.000 2.389 223 D HA 0.235 4.876 4.640 0.001 0.000 0.247 223 D C -0.222 176.108 176.300 0.050 0.000 1.128 223 D CA -0.141 53.921 54.000 0.104 0.000 0.884 223 D CB 1.185 42.090 40.800 0.175 0.000 1.194 223 D HN 0.293 nan 8.370 nan 0.000 0.441 224 V N 2.374 122.320 119.914 0.054 0.000 2.485 224 V HA 0.249 4.369 4.120 0.001 0.000 0.287 224 V C 0.752 176.882 176.094 0.060 0.000 1.022 224 V CA -0.287 62.046 62.300 0.055 0.000 1.067 224 V CB 0.395 32.261 31.823 0.073 0.000 0.967 224 V HN 0.726 nan 8.190 nan 0.000 0.479 225 A N 8.704 131.554 122.820 0.050 0.000 2.386 225 A HA 0.468 4.789 4.320 0.001 0.000 0.246 225 A C -2.236 175.373 177.584 0.041 0.000 1.089 225 A CA -1.103 50.959 52.037 0.043 0.000 0.790 225 A CB -0.304 18.713 19.000 0.030 0.000 1.042 225 A HN 0.704 nan 8.150 nan 0.000 0.497 226 P HA 0.215 nan 4.420 nan 0.000 0.266 226 P C 1.136 178.449 177.300 0.023 0.000 1.195 226 P CA 1.883 64.988 63.100 0.010 0.000 0.768 226 P CB 0.571 32.268 31.700 -0.005 0.000 0.838 227 G N 1.528 110.347 108.800 0.032 0.000 2.382 227 G HA2 -0.348 3.613 3.960 0.001 0.000 0.259 227 G HA3 -0.348 3.613 3.960 0.001 0.000 0.259 227 G C 0.400 175.352 174.900 0.087 0.000 1.009 227 G CA 0.529 45.667 45.100 0.063 0.000 0.625 227 G HN 0.666 nan 8.290 nan 0.000 0.541 228 E N 0.969 121.218 120.200 0.081 0.000 2.404 228 E HA 0.544 4.895 4.350 0.001 0.000 0.261 228 E C 0.389 177.091 176.600 0.170 0.000 1.074 228 E CA 0.118 56.571 56.400 0.088 0.000 0.917 228 E CB 0.538 30.275 29.700 0.062 0.000 0.965 228 E HN 0.943 nan 8.360 nan 0.000 0.433 229 A N 4.134 127.067 122.820 0.188 0.000 2.423 229 A HA 0.651 4.972 4.320 0.001 0.000 0.304 229 A C -1.232 176.574 177.584 0.370 0.000 1.104 229 A CA -0.791 51.438 52.037 0.320 0.000 0.757 229 A CB 1.132 20.345 19.000 0.355 0.000 1.313 229 A HN 0.509 nan 8.150 nan 0.000 0.423 230 I N 0.677 121.484 120.570 0.396 0.000 2.647 230 I HA 0.426 4.597 4.170 0.001 0.000 0.295 230 I C -1.411 174.966 176.117 0.433 0.000 1.078 230 I CA -0.473 61.042 61.300 0.359 0.000 1.048 230 I CB 1.629 39.742 38.000 0.189 0.000 1.239 230 I HN 0.730 nan 8.210 nan 0.000 0.421 231 Y N 6.277 126.753 120.300 0.293 0.000 2.386 231 Y HA 0.672 5.223 4.550 0.001 0.000 0.334 231 Y C -1.613 174.403 175.900 0.192 0.000 1.002 231 Y CA -1.340 56.874 58.100 0.190 0.000 1.068 231 Y CB 1.541 40.021 38.460 0.034 0.000 1.203 231 Y HN 0.414 nan 8.280 nan 0.000 0.443 232 I N 5.766 126.186 120.570 -0.251 0.000 2.410 232 I HA 0.310 4.481 4.170 0.001 0.000 0.286 232 I C 0.127 175.958 176.117 -0.477 0.000 1.009 232 I CA -0.479 60.618 61.300 -0.339 0.000 1.111 232 I CB 2.019 39.940 38.000 -0.133 0.000 1.262 232 I HN 0.734 nan 8.210 nan 0.000 0.443 233 T N 0.783 115.014 114.554 -0.538 0.000 2.860 233 T HA 0.167 4.518 4.350 0.001 0.000 0.299 233 T C 0.915 175.547 174.700 -0.114 0.000 1.045 233 T CA -0.396 61.493 62.100 -0.353 0.000 1.071 233 T CB 0.791 69.557 68.868 -0.171 0.000 0.985 233 T HN 0.645 nan 8.240 nan 0.000 0.537 234 E N 0.305 120.484 120.200 -0.035 0.000 2.463 234 E HA -0.115 4.236 4.350 0.001 0.000 0.201 234 E C 1.143 177.746 176.600 0.006 0.000 1.045 234 E CA 0.813 57.218 56.400 0.009 0.000 0.872 234 E CB 0.052 29.764 29.700 0.020 0.000 0.797 234 E HN 0.710 nan 8.360 nan 0.000 0.538 235 E N -1.281 118.912 120.200 -0.011 0.000 2.481 235 E HA 0.134 4.485 4.350 0.001 0.000 0.198 235 E C 0.825 177.427 176.600 0.003 0.000 1.027 235 E CA 0.415 56.814 56.400 -0.002 0.000 0.900 235 E CB 1.234 30.931 29.700 -0.004 0.000 0.993 235 E HN 0.254 nan 8.360 nan 0.000 0.482 236 G N 1.001 109.804 108.800 0.004 0.000 2.159 236 G HA2 -0.312 3.648 3.960 0.001 0.000 0.227 236 G HA3 -0.312 3.648 3.960 0.001 0.000 0.227 236 G C 0.085 174.995 174.900 0.017 0.000 0.986 236 G CA -0.094 45.038 45.100 0.054 0.000 0.651 236 G HN 0.270 nan 8.290 nan 0.000 0.523 237 Q N 0.170 119.903 119.800 -0.111 0.000 2.279 237 Q HA 0.593 4.933 4.340 0.001 0.000 0.256 237 Q C -0.328 175.378 176.000 -0.491 0.000 0.937 237 Q CA -0.828 54.812 55.803 -0.271 0.000 0.933 237 Q CB 0.993 29.566 28.738 -0.275 0.000 1.189 237 Q HN 0.430 nan 8.270 nan 0.000 0.417 238 L N 4.561 125.443 121.223 -0.569 0.000 2.307 238 L HA 0.559 4.900 4.340 0.001 0.000 0.282 238 L C -1.754 174.752 176.870 -0.606 0.000 1.051 238 L CA 0.198 54.694 54.840 -0.573 0.000 0.804 238 L CB 0.670 42.342 42.059 -0.645 0.000 1.197 238 L HN 0.526 nan 8.230 nan 0.000 0.431 239 F N 2.080 122.055 119.950 0.042 0.000 2.576 239 F HA 0.739 5.267 4.527 0.001 0.000 0.313 239 F C 0.241 176.195 175.800 0.257 0.000 1.078 239 F CA -0.378 57.757 58.000 0.225 0.000 0.921 239 F CB 2.412 41.756 39.000 0.574 0.000 1.232 239 F HN 0.624 nan 8.300 nan 0.000 0.459 240 T N 0.312 114.999 114.554 0.222 0.000 2.903 240 T HA 0.887 5.238 4.350 0.001 0.000 0.299 240 T C -1.243 173.255 174.700 -0.336 0.000 1.093 240 T CA -0.847 61.270 62.100 0.028 0.000 1.002 240 T CB 2.507 71.381 68.868 0.011 0.000 1.127 240 T HN 0.829 nan 8.240 nan 0.000 0.488 241 R N 1.152 121.402 120.500 -0.417 0.000 2.736 241 R HA 0.437 4.778 4.340 0.001 0.000 0.250 241 R C -1.854 174.302 176.300 -0.240 0.000 1.098 241 R CA -0.429 55.352 56.100 -0.532 0.000 0.978 241 R CB 1.518 31.045 30.300 -1.287 0.000 1.263 241 R HN 0.789 nan 8.270 nan 0.000 0.460 242 Q N 3.281 122.994 119.800 -0.145 0.000 2.296 242 Q HA 0.262 4.603 4.340 0.001 0.000 0.263 242 Q C -0.889 175.086 176.000 -0.041 0.000 1.026 242 Q CA 0.115 55.884 55.803 -0.057 0.000 0.912 242 Q CB 0.803 29.516 28.738 -0.042 0.000 1.198 242 Q HN 0.698 nan 8.270 nan 0.000 0.407 243 C N 4.112 123.413 119.300 0.001 0.000 2.548 243 C HA 0.844 5.305 4.460 0.001 0.000 0.297 243 C C 0.064 175.066 174.990 0.021 0.000 1.422 243 C CA -0.050 58.975 59.018 0.012 0.000 1.785 243 C CB -1.375 26.376 27.740 0.019 0.000 2.593 243 C HN 0.782 nan 8.230 nan 0.000 0.545 244 A N 0.095 122.929 122.820 0.022 0.000 2.475 244 A HA 0.599 4.920 4.320 0.001 0.000 0.301 244 A C 0.182 177.777 177.584 0.019 0.000 1.059 244 A CA -0.255 51.800 52.037 0.030 0.000 0.710 244 A CB 1.105 20.130 19.000 0.042 0.000 1.288 244 A HN 0.215 nan 8.150 nan 0.000 0.408 245 D N 0.817 121.230 120.400 0.021 0.000 2.091 245 D HA -0.064 4.577 4.640 0.001 0.000 0.199 245 D C -0.023 176.283 176.300 0.011 0.000 0.980 245 D CA 1.679 55.688 54.000 0.015 0.000 0.831 245 D CB 0.043 40.853 40.800 0.017 0.000 0.987 245 D HN 0.655 nan 8.370 nan 0.000 0.460 246 N N 1.756 120.463 118.700 0.013 0.000 2.990 246 N HA 0.198 4.939 4.740 0.001 0.000 0.288 246 N C -2.554 172.958 175.510 0.003 0.000 1.624 246 N CA -0.875 52.180 53.050 0.007 0.000 0.961 246 N CB 1.490 39.982 38.487 0.009 0.000 1.259 246 N HN 0.087 nan 8.380 nan 0.000 0.489 247 P HA 0.072 nan 4.420 nan 0.000 0.268 247 P C -0.544 176.750 177.300 -0.009 0.000 1.205 247 P CA 0.051 63.149 63.100 -0.003 0.000 0.771 247 P CB 1.319 33.020 31.700 0.002 0.000 0.858 248 V N 1.020 120.924 119.914 -0.017 0.000 3.120 248 V HA 0.260 4.381 4.120 0.001 0.000 0.303 248 V C -0.024 176.054 176.094 -0.028 0.000 1.238 248 V CA -0.684 61.601 62.300 -0.024 0.000 1.008 248 V CB 2.157 33.963 31.823 -0.028 0.000 1.064 248 V HN 0.493 nan 8.190 nan 0.000 0.434 249 S N 2.032 117.712 115.700 -0.032 0.000 2.466 249 S HA 0.425 4.896 4.470 0.001 0.000 0.313 249 S C 0.096 174.668 174.600 -0.046 0.000 1.078 249 S CA -0.392 57.792 58.200 -0.025 0.000 1.115 249 S CB -0.399 62.787 63.200 -0.022 0.000 1.006 249 S HN 0.796 nan 8.310 nan 0.000 0.487 250 N N 4.312 123.001 118.700 -0.017 0.000 2.735 250 N HA 0.203 4.944 4.740 0.001 0.000 0.312 250 N C -2.819 172.756 175.510 0.108 0.000 1.843 250 N CA -1.283 51.771 53.050 0.007 0.000 0.945 250 N CB 1.069 39.544 38.487 -0.021 0.000 1.299 250 N HN 0.405 nan 8.380 nan 0.000 0.489 251 P HA -0.112 nan 4.420 nan 0.000 0.265 251 P C 0.352 177.888 177.300 0.394 0.000 1.187 251 P CA -0.020 63.265 63.100 0.308 0.000 0.766 251 P CB 0.855 32.819 31.700 0.442 0.000 0.820 252 C N 4.730 124.159 119.300 0.215 0.000 2.590 252 C HA -0.014 4.447 4.460 0.001 0.000 0.411 252 C C 2.122 177.246 174.990 0.223 0.000 1.420 252 C CA -0.215 58.912 59.018 0.181 0.000 1.643 252 C CB -1.821 25.967 27.740 0.079 0.000 2.528 252 C HN 0.626 nan 8.230 nan 0.000 0.606 253 L N 5.555 126.926 121.223 0.247 0.000 2.109 253 L HA 0.112 4.452 4.340 0.001 0.000 0.207 253 L C 1.775 178.823 176.870 0.296 0.000 1.086 253 L CA 1.710 56.668 54.840 0.197 0.000 0.760 253 L CB -1.000 41.158 42.059 0.166 0.000 0.910 253 L HN 0.827 nan 8.230 nan 0.000 0.437 254 F N 0.117 120.156 119.950 0.148 0.000 2.408 254 F HA -0.151 4.377 4.527 0.001 0.000 0.300 254 F C 2.256 178.126 175.800 0.116 0.000 1.090 254 F CA 1.077 59.172 58.000 0.157 0.000 1.427 254 F CB 0.005 39.040 39.000 0.059 0.000 1.070 254 F HN 0.190 nan 8.300 nan 0.000 0.549 255 E N -0.374 119.864 120.200 0.063 0.000 2.051 255 E HA -0.232 4.119 4.350 0.001 0.000 0.192 255 E C 2.143 178.592 176.600 -0.251 0.000 0.991 255 E CA 1.663 57.997 56.400 -0.110 0.000 0.799 255 E CB -0.796 28.702 29.700 -0.336 0.000 0.748 255 E HN 0.483 nan 8.360 nan 0.000 0.449 256 Y N 0.808 121.085 120.300 -0.040 0.000 2.145 256 Y HA -0.180 4.371 4.550 0.001 0.000 0.286 256 Y C 2.624 178.454 175.900 -0.117 0.000 1.145 256 Y CA 0.771 58.814 58.100 -0.094 0.000 1.148 256 Y CB -1.004 37.371 38.460 -0.140 0.000 0.981 256 Y HN -0.161 nan 8.280 nan 0.000 0.507 257 V N -1.597 118.336 119.914 0.032 0.000 2.332 257 V HA -0.299 3.822 4.120 0.001 0.000 0.248 257 V C 1.535 177.553 176.094 -0.126 0.000 1.055 257 V CA 2.602 64.873 62.300 -0.048 0.000 1.038 257 V CB -0.500 31.309 31.823 -0.022 0.000 0.651 257 V HN 0.617 nan 8.190 nan 0.000 0.450 258 Y N -3.409 116.587 120.300 -0.506 0.000 2.855 258 Y HA 0.143 4.694 4.550 0.001 0.000 0.251 258 Y C 1.637 177.373 175.900 -0.272 0.000 1.152 258 Y CA -0.223 57.599 58.100 -0.462 0.000 1.201 258 Y CB -0.125 37.901 38.460 -0.722 0.000 1.392 258 Y HN 0.061 nan 8.280 nan 0.000 0.470 259 F N 2.173 121.920 119.950 -0.339 0.000 2.202 259 F HA 0.077 4.604 4.527 0.001 0.000 0.301 259 F C 1.345 177.034 175.800 -0.184 0.000 1.082 259 F CA 1.169 59.060 58.000 -0.180 0.000 1.313 259 F CB -0.488 38.538 39.000 0.044 0.000 1.024 259 F HN 0.110 nan 8.300 nan 0.000 0.495 260 A N -0.000 122.740 122.820 -0.132 0.000 2.242 260 A HA 0.504 4.824 4.320 0.001 0.000 0.304 260 A C 0.157 177.552 177.584 -0.315 0.000 1.100 260 A CA -0.689 51.261 52.037 -0.145 0.000 0.860 260 A CB 0.490 19.408 19.000 -0.137 0.000 1.168 260 A HN 0.069 nan 8.150 nan 0.000 0.503 261 R N 0.501 120.801 120.500 -0.333 0.000 2.441 261 R HA 0.223 4.564 4.340 0.001 0.000 0.284 261 R C -1.735 174.396 176.300 -0.282 0.000 1.070 261 R CA -1.566 54.276 56.100 -0.431 0.000 1.047 261 R CB 0.827 30.869 30.300 -0.431 0.000 1.016 261 R HN 0.530 nan 8.270 nan 0.000 0.477 262 P HA -0.123 nan 4.420 nan 0.000 0.223 262 P C 0.171 177.327 177.300 -0.241 0.000 1.151 262 P CA 1.139 64.125 63.100 -0.191 0.000 0.787 262 P CB 0.213 31.815 31.700 -0.164 0.000 0.788 263 D N -1.167 119.069 120.400 -0.274 0.000 2.319 263 D HA 0.048 4.689 4.640 0.001 0.000 0.230 263 D C 0.032 176.113 176.300 -0.364 0.000 1.094 263 D CA -0.062 53.760 54.000 -0.298 0.000 0.856 263 D CB -0.263 40.418 40.800 -0.199 0.000 0.915 263 D HN -0.019 nan 8.370 nan 0.000 0.517 264 S N -0.013 115.471 115.700 -0.360 0.000 2.541 264 S HA 0.435 4.906 4.470 0.001 0.000 0.283 264 S C -0.581 173.747 174.600 -0.454 0.000 1.196 264 S CA -0.626 57.410 58.200 -0.273 0.000 1.062 264 S CB 0.686 63.811 63.200 -0.125 0.000 1.009 264 S HN 0.074 nan 8.310 nan 0.000 0.502 265 F N 2.554 122.481 119.950 -0.037 0.000 2.308 265 F HA 0.462 4.990 4.527 0.002 0.000 0.370 265 F C 0.057 175.892 175.800 0.058 0.000 1.100 265 F CA -0.500 57.484 58.000 -0.026 0.000 1.108 265 F CB 0.304 39.189 39.000 -0.193 0.000 1.293 265 F HN 0.325 nan 8.300 nan 0.000 0.478 266 I N 3.991 124.706 120.570 0.241 0.000 2.307 266 I HA 0.191 4.362 4.170 0.001 0.000 0.289 266 I C -0.364 175.973 176.117 0.366 0.000 1.021 266 I CA -0.455 60.994 61.300 0.250 0.000 1.224 266 I CB 0.901 38.951 38.000 0.082 0.000 1.376 266 I HN 0.498 nan 8.210 nan 0.000 0.470 267 D N 6.132 126.718 120.400 0.310 0.000 2.716 267 D HA -0.186 4.455 4.640 0.001 0.000 0.239 267 D C 0.439 176.890 176.300 0.252 0.000 1.125 267 D CA 0.736 54.904 54.000 0.279 0.000 0.681 267 D CB -0.566 40.408 40.800 0.290 0.000 1.070 267 D HN 0.766 nan 8.370 nan 0.000 0.432 268 K N -1.778 118.776 120.400 0.256 0.000 3.130 268 K HA -0.229 4.092 4.320 0.001 0.000 0.282 268 K C 0.279 177.013 176.600 0.223 0.000 1.145 268 K CA 0.997 57.406 56.287 0.203 0.000 0.831 268 K CB -1.098 31.487 32.500 0.142 0.000 1.226 268 K HN 0.499 nan 8.250 nan 0.000 0.478 269 I N 0.586 121.325 120.570 0.281 0.000 2.406 269 I HA 0.095 4.266 4.170 0.001 0.000 0.290 269 I C 0.384 176.653 176.117 0.254 0.000 0.999 269 I CA -0.640 60.793 61.300 0.223 0.000 1.124 269 I CB 1.938 39.993 38.000 0.092 0.000 1.289 269 I HN -0.025 nan 8.210 nan 0.000 0.441 270 S N 4.210 120.021 115.700 0.185 0.000 2.505 270 S HA 0.196 4.667 4.470 0.001 0.000 0.276 270 S C 1.121 175.694 174.600 -0.044 0.000 1.274 270 S CA -0.628 57.505 58.200 -0.111 0.000 1.053 270 S CB 1.086 64.272 63.200 -0.024 0.000 0.919 270 S HN 0.420 nan 8.310 nan 0.000 0.490 271 V N 6.347 126.211 119.914 -0.083 0.000 2.343 271 V HA -0.120 4.001 4.120 0.001 0.000 0.247 271 V C 1.884 177.997 176.094 0.032 0.000 1.051 271 V CA 1.935 64.257 62.300 0.037 0.000 1.036 271 V CB -1.241 30.551 31.823 -0.052 0.000 0.654 271 V HN 0.978 nan 8.190 nan 0.000 0.451 272 Y N 2.033 122.235 120.300 -0.164 0.000 2.014 272 Y HA -0.315 4.235 4.550 0.001 0.000 0.270 272 Y C 2.826 178.675 175.900 -0.084 0.000 1.145 272 Y CA 1.790 59.813 58.100 -0.128 0.000 1.106 272 Y CB -1.020 37.354 38.460 -0.143 0.000 0.968 272 Y HN 0.243 nan 8.280 nan 0.000 0.484 273 S N 0.676 116.232 115.700 -0.239 0.000 2.365 273 S HA -0.272 4.199 4.470 0.001 0.000 0.225 273 S C 2.310 176.792 174.600 -0.197 0.000 1.039 273 S CA 1.490 59.503 58.200 -0.311 0.000 1.033 273 S CB -1.089 62.022 63.200 -0.150 0.000 0.887 273 S HN 0.665 nan 8.310 nan 0.000 0.447 274 A N 1.559 124.310 122.820 -0.114 0.000 1.908 274 A HA -0.136 4.185 4.320 0.001 0.000 0.218 274 A C 2.174 179.698 177.584 -0.100 0.000 1.181 274 A CA 1.802 53.771 52.037 -0.113 0.000 0.627 274 A CB -0.532 18.394 19.000 -0.123 0.000 0.818 274 A HN 0.358 nan 8.150 nan 0.000 0.445 275 R N -0.861 119.597 120.500 -0.070 0.000 2.096 275 R HA -0.052 4.289 4.340 0.001 0.000 0.235 275 R C 1.976 178.224 176.300 -0.088 0.000 1.127 275 R CA 1.373 57.444 56.100 -0.049 0.000 0.968 275 R CB -0.550 29.754 30.300 0.005 0.000 0.861 275 R HN 0.349 nan 8.270 nan 0.000 0.440 276 V N 1.442 121.250 119.914 -0.177 0.000 2.407 276 V HA -0.263 3.858 4.120 0.001 0.000 0.248 276 V C 1.492 177.500 176.094 -0.143 0.000 1.055 276 V CA 1.864 64.041 62.300 -0.204 0.000 1.049 276 V CB -0.494 31.106 31.823 -0.371 0.000 0.662 276 V HN 0.395 nan 8.190 nan 0.000 0.455 277 N N -0.044 118.573 118.700 -0.138 0.000 2.188 277 N HA -0.104 4.637 4.740 0.001 0.000 0.184 277 N C 1.774 177.233 175.510 -0.086 0.000 1.018 277 N CA 1.396 54.382 53.050 -0.106 0.000 0.858 277 N CB -0.414 38.012 38.487 -0.101 0.000 0.989 277 N HN 0.426 nan 8.380 nan 0.000 0.426 278 M N 0.171 119.721 119.600 -0.083 0.000 2.144 278 M HA -0.095 4.386 4.480 0.001 0.000 0.260 278 M C 2.149 178.414 176.300 -0.059 0.000 1.067 278 M CA 1.674 56.933 55.300 -0.069 0.000 1.095 278 M CB -0.635 31.931 32.600 -0.057 0.000 1.365 278 M HN 0.208 nan 8.290 nan 0.000 0.406 279 G N -0.021 108.745 108.800 -0.057 0.000 2.434 279 G HA2 -0.182 3.779 3.960 0.001 0.000 0.214 279 G HA3 -0.182 3.779 3.960 0.001 0.000 0.214 279 G C 1.394 176.262 174.900 -0.052 0.000 1.202 279 G CA 1.400 46.472 45.100 -0.047 0.000 0.788 279 G HN 0.376 nan 8.290 nan 0.000 0.539 280 T N 1.493 116.010 114.554 -0.062 0.000 2.592 280 T HA -0.184 4.167 4.350 0.001 0.000 0.267 280 T C 2.325 176.993 174.700 -0.054 0.000 1.060 280 T CA 1.650 63.716 62.100 -0.057 0.000 1.167 280 T CB -0.213 68.617 68.868 -0.062 0.000 0.863 280 T HN 0.175 nan 8.240 nan 0.000 0.431 281 K N 0.507 120.872 120.400 -0.059 0.000 2.063 281 K HA -0.001 4.320 4.320 0.001 0.000 0.208 281 K C 2.278 178.838 176.600 -0.068 0.000 1.048 281 K CA 0.851 57.102 56.287 -0.060 0.000 0.928 281 K CB -0.669 31.794 32.500 -0.062 0.000 0.713 281 K HN 0.229 nan 8.250 nan 0.000 0.442 282 L N 0.810 121.991 121.223 -0.071 0.000 2.109 282 L HA 0.014 4.355 4.340 0.001 0.000 0.207 282 L C 2.135 178.950 176.870 -0.092 0.000 1.086 282 L CA 1.740 56.527 54.840 -0.089 0.000 0.760 282 L CB -0.983 41.029 42.059 -0.079 0.000 0.910 282 L HN 0.175 nan 8.230 nan 0.000 0.437 283 G N -0.939 107.823 108.800 -0.063 0.000 2.433 283 G HA2 -0.267 3.694 3.960 0.001 0.000 0.216 283 G HA3 -0.267 3.694 3.960 0.001 0.000 0.216 283 G C 1.418 176.286 174.900 -0.054 0.000 1.186 283 G CA 0.753 45.824 45.100 -0.049 0.000 0.779 283 G HN 0.499 nan 8.290 nan 0.000 0.543 284 E N 0.054 120.224 120.200 -0.051 0.000 2.171 284 E HA -0.167 4.184 4.350 0.001 0.000 0.197 284 E C 2.325 178.890 176.600 -0.058 0.000 0.997 284 E CA 1.072 57.445 56.400 -0.045 0.000 0.810 284 E CB -0.069 29.606 29.700 -0.042 0.000 0.738 284 E HN 0.481 nan 8.360 nan 0.000 0.467 285 K N 0.809 121.158 120.400 -0.085 0.000 2.155 285 K HA -0.089 4.232 4.320 0.001 0.000 0.203 285 K C 2.002 178.506 176.600 -0.159 0.000 1.052 285 K CA 0.694 56.912 56.287 -0.115 0.000 0.948 285 K CB 0.089 32.507 32.500 -0.137 0.000 0.728 285 K HN 0.083 nan 8.250 nan 0.000 0.448 286 I N 1.022 121.490 120.570 -0.170 0.000 2.286 286 I HA -0.210 3.961 4.170 0.001 0.000 0.245 286 I C 2.495 178.600 176.117 -0.021 0.000 1.104 286 I CA 0.975 62.169 61.300 -0.177 0.000 1.397 286 I CB -0.404 37.523 38.000 -0.123 0.000 1.072 286 I HN 0.189 nan 8.210 nan 0.000 0.417 287 A N 1.345 124.156 122.820 -0.016 0.000 1.892 287 A HA -0.253 4.068 4.320 0.001 0.000 0.218 287 A C 2.412 180.008 177.584 0.020 0.000 1.188 287 A CA 1.884 53.928 52.037 0.011 0.000 0.631 287 A CB -0.621 18.377 19.000 -0.003 0.000 0.822 287 A HN 0.359 nan 8.150 nan 0.000 0.447 288 R N -0.510 119.989 120.500 -0.002 0.000 2.055 288 R HA -0.054 4.287 4.340 0.001 0.000 0.228 288 R C 1.951 178.273 176.300 0.038 0.000 1.143 288 R CA 1.422 57.527 56.100 0.009 0.000 0.945 288 R CB -0.430 29.864 30.300 -0.011 0.000 0.841 288 R HN 0.651 nan 8.270 nan 0.000 0.429 289 E N -0.674 119.539 120.200 0.022 0.000 2.427 289 E HA -0.099 4.251 4.350 0.001 0.000 0.196 289 E C -0.177 176.622 176.600 0.331 0.000 1.028 289 E CA 0.417 56.870 56.400 0.089 0.000 0.864 289 E CB 0.265 29.949 29.700 -0.028 0.000 0.813 289 E HN 0.332 nan 8.360 nan 0.000 0.514 290 W N 2.032 123.303 121.300 -0.050 0.000 1.809 290 W HA 0.181 4.845 4.660 0.007 0.000 0.298 290 W C 0.631 177.103 176.519 -0.078 0.000 0.905 290 W CA -1.210 56.088 57.345 -0.078 0.000 1.872 290 W CB -0.049 29.342 29.460 -0.115 0.000 2.092 290 W HN 0.082 nan 8.180 nan 0.000 0.403 291 E N -1.403 118.867 120.200 0.117 0.000 2.230 291 E HA -0.080 4.271 4.350 0.001 0.000 0.192 291 E C 0.321 176.926 176.600 0.009 0.000 0.987 291 E CA 0.900 57.331 56.400 0.052 0.000 0.841 291 E CB 0.210 29.932 29.700 0.036 0.000 0.783 291 E HN -0.049 nan 8.360 nan 0.000 0.481 292 D N 1.234 121.622 120.400 -0.020 0.000 2.323 292 D HA 0.073 4.714 4.640 0.001 0.000 0.239 292 D C 0.041 176.272 176.300 -0.114 0.000 1.129 292 D CA 0.129 54.094 54.000 -0.059 0.000 0.865 292 D CB 0.076 40.834 40.800 -0.069 0.000 0.913 292 D HN 0.184 nan 8.370 nan 0.000 0.517 293 L N 1.785 122.939 121.223 -0.114 0.000 2.485 293 L HA 0.051 4.392 4.340 0.001 0.000 0.279 293 L C -0.161 176.628 176.870 -0.134 0.000 1.124 293 L CA 0.186 54.901 54.840 -0.209 0.000 0.888 293 L CB 0.414 42.402 42.059 -0.119 0.000 1.217 293 L HN -0.188 nan 8.230 nan 0.000 0.464 294 D N 6.230 126.549 120.400 -0.134 0.000 2.467 294 D HA 0.378 5.019 4.640 0.001 0.000 0.220 294 D C -0.325 175.996 176.300 0.035 0.000 1.103 294 D CA -0.252 53.729 54.000 -0.032 0.000 0.886 294 D CB 0.364 41.160 40.800 -0.005 0.000 1.025 294 D HN 0.433 nan 8.370 nan 0.000 0.514 295 I N -0.633 119.961 120.570 0.039 0.000 2.785 295 I HA 0.555 4.726 4.170 0.001 0.000 0.302 295 I C -0.171 175.978 176.117 0.054 0.000 1.069 295 I CA -0.780 60.578 61.300 0.097 0.000 1.045 295 I CB 2.508 40.580 38.000 0.120 0.000 1.236 295 I HN -0.083 nan 8.210 nan 0.000 0.429 296 D N 2.116 122.542 120.400 0.043 0.000 2.388 296 D HA 0.225 4.866 4.640 0.001 0.000 0.208 296 D C 0.081 176.377 176.300 -0.007 0.000 1.035 296 D CA 0.846 54.852 54.000 0.010 0.000 0.875 296 D CB 1.949 42.745 40.800 -0.006 0.000 0.984 296 D HN 0.310 nan 8.370 nan 0.000 0.508 297 V N 0.531 120.440 119.914 -0.008 0.000 3.167 297 V HA 0.259 4.380 4.120 0.001 0.000 0.293 297 V C -1.793 174.292 176.094 -0.015 0.000 1.379 297 V CA -0.752 61.528 62.300 -0.035 0.000 1.019 297 V CB 2.529 34.282 31.823 -0.115 0.000 1.115 297 V HN -0.236 nan 8.190 nan 0.000 0.442 298 V N 6.393 126.305 119.914 -0.004 0.000 2.370 298 V HA 0.586 4.707 4.120 0.001 0.000 0.283 298 V C -0.186 175.868 176.094 -0.068 0.000 1.023 298 V CA -0.293 62.029 62.300 0.036 0.000 0.857 298 V CB 1.319 33.218 31.823 0.126 0.000 0.985 298 V HN 0.630 nan 8.190 nan 0.000 0.443 299 I N 7.871 128.417 120.570 -0.040 0.000 2.418 299 I HA 0.422 4.593 4.170 0.001 0.000 0.287 299 I C -2.347 173.821 176.117 0.084 0.000 1.008 299 I CA -1.948 59.303 61.300 -0.082 0.000 1.104 299 I CB 2.975 40.913 38.000 -0.103 0.000 1.264 299 I HN 0.443 nan 8.210 nan 0.000 0.438 300 P HA 0.310 nan 4.420 nan 0.000 0.281 300 P C -0.719 176.695 177.300 0.190 0.000 1.249 300 P CA -0.296 62.901 63.100 0.162 0.000 0.810 300 P CB 1.579 33.403 31.700 0.207 0.000 1.008 301 I N 3.711 124.358 120.570 0.128 0.000 2.307 301 I HA 0.220 4.391 4.170 0.001 0.000 0.287 301 I C -2.066 174.082 176.117 0.052 0.000 1.054 301 I CA -2.667 58.659 61.300 0.042 0.000 1.218 301 I CB 0.993 38.964 38.000 -0.048 0.000 1.398 301 I HN 0.097 nan 8.210 nan 0.000 0.475 302 P HA -0.030 nan 4.420 nan 0.000 0.266 302 P C 0.147 177.472 177.300 0.042 0.000 1.186 302 P CA 0.352 63.489 63.100 0.062 0.000 0.767 302 P CB 0.915 32.656 31.700 0.068 0.000 0.820 303 E N 0.441 120.662 120.200 0.036 0.000 2.152 303 E HA -0.063 4.288 4.350 0.001 0.000 0.195 303 E C 1.673 178.285 176.600 0.020 0.000 0.934 303 E CA 0.798 57.207 56.400 0.015 0.000 0.869 303 E CB -0.564 29.114 29.700 -0.036 0.000 0.842 303 E HN 0.461 nan 8.360 nan 0.000 0.472 304 T N 1.555 116.117 114.554 0.013 0.000 2.656 304 T HA -0.242 4.109 4.350 0.001 0.000 0.262 304 T C 1.968 176.695 174.700 0.046 0.000 1.070 304 T CA 1.985 64.095 62.100 0.015 0.000 1.160 304 T CB -0.457 68.469 68.868 0.096 0.000 0.855 304 T HN 0.023 nan 8.240 nan 0.000 0.456 305 S N 0.170 115.914 115.700 0.074 0.000 2.607 305 S HA 0.032 4.503 4.470 0.001 0.000 0.224 305 S C 2.244 176.913 174.600 0.115 0.000 0.969 305 S CA 0.111 58.363 58.200 0.086 0.000 0.927 305 S CB -0.698 62.557 63.200 0.091 0.000 0.772 305 S HN 0.586 nan 8.310 nan 0.000 0.533 306 C N 2.251 121.620 119.300 0.116 0.000 2.413 306 C HA -0.120 4.341 4.460 0.001 0.000 0.276 306 C C 2.361 177.427 174.990 0.127 0.000 1.236 306 C CA 0.672 59.792 59.018 0.169 0.000 1.735 306 C CB -0.868 26.953 27.740 0.135 0.000 2.031 306 C HN 0.604 nan 8.230 nan 0.000 0.474 307 D N -0.069 120.376 120.400 0.076 0.000 2.305 307 D HA 0.093 4.733 4.640 0.001 0.000 0.206 307 D C 1.948 178.250 176.300 0.003 0.000 0.974 307 D CA 0.605 54.627 54.000 0.036 0.000 0.871 307 D CB -0.069 40.831 40.800 0.168 0.000 0.947 307 D HN 0.500 nan 8.370 nan 0.000 0.516 308 I N 1.528 122.117 120.570 0.032 0.000 2.202 308 I HA -0.210 3.961 4.170 0.001 0.000 0.242 308 I C 2.614 178.748 176.117 0.029 0.000 1.091 308 I CA 0.804 62.112 61.300 0.014 0.000 1.368 308 I CB -0.131 37.885 38.000 0.028 0.000 1.058 308 I HN -0.102 nan 8.210 nan 0.000 0.410 309 A N 0.622 123.496 122.820 0.090 0.000 1.933 309 A HA -0.209 4.112 4.320 0.001 0.000 0.218 309 A C 2.234 179.893 177.584 0.125 0.000 1.175 309 A CA 1.352 53.486 52.037 0.160 0.000 0.628 309 A CB -0.769 18.402 19.000 0.286 0.000 0.814 309 A HN 0.380 nan 8.150 nan 0.000 0.444 310 L N -0.110 121.062 121.223 -0.086 0.000 2.127 310 L HA -0.149 4.192 4.340 0.001 0.000 0.211 310 L C 2.191 178.962 176.870 -0.166 0.000 1.089 310 L CA 2.688 57.285 54.840 -0.406 0.000 0.757 310 L CB -0.497 41.203 42.059 -0.598 0.000 0.899 310 L HN 0.518 nan 8.230 nan 0.000 0.434 311 E N -0.178 119.965 120.200 -0.095 0.000 2.072 311 E HA -0.147 4.204 4.350 0.001 0.000 0.190 311 E C 2.121 178.701 176.600 -0.033 0.000 0.982 311 E CA 1.523 57.882 56.400 -0.068 0.000 0.803 311 E CB -0.349 29.308 29.700 -0.071 0.000 0.755 311 E HN 0.580 nan 8.360 nan 0.000 0.453 312 I N 0.587 121.153 120.570 -0.007 0.000 2.335 312 I HA -0.270 3.901 4.170 0.001 0.000 0.251 312 I C 2.289 178.423 176.117 0.029 0.000 1.129 312 I CA 0.991 62.297 61.300 0.010 0.000 1.402 312 I CB -0.396 37.620 38.000 0.027 0.000 1.069 312 I HN 0.207 nan 8.210 nan 0.000 0.424 313 A N 0.659 123.510 122.820 0.052 0.000 1.873 313 A HA -0.198 4.123 4.320 0.001 0.000 0.215 313 A C 2.464 180.065 177.584 0.029 0.000 1.186 313 A CA 1.258 53.337 52.037 0.070 0.000 0.616 313 A CB -0.564 18.519 19.000 0.139 0.000 0.823 313 A HN 0.263 nan 8.150 nan 0.000 0.442 314 R N -0.394 120.105 120.500 -0.002 0.000 2.097 314 R HA -0.161 4.179 4.340 0.001 0.000 0.236 314 R C 1.993 178.288 176.300 -0.009 0.000 1.135 314 R CA 1.973 58.065 56.100 -0.014 0.000 0.934 314 R CB -0.433 29.845 30.300 -0.036 0.000 0.846 314 R HN 0.468 nan 8.270 nan 0.000 0.431 315 I N 1.248 121.810 120.570 -0.013 0.000 2.163 315 I HA -0.283 3.888 4.170 0.001 0.000 0.243 315 I C 2.256 178.371 176.117 -0.002 0.000 1.085 315 I CA 1.461 62.754 61.300 -0.012 0.000 1.347 315 I CB -1.071 36.917 38.000 -0.019 0.000 1.044 315 I HN 0.286 nan 8.210 nan 0.000 0.408 316 L N 0.444 121.672 121.223 0.008 0.000 2.552 316 L HA 0.091 4.432 4.340 0.001 0.000 0.227 316 L C 1.502 178.382 176.870 0.017 0.000 1.146 316 L CA 0.564 55.414 54.840 0.016 0.000 0.858 316 L CB -0.814 41.262 42.059 0.029 0.000 0.969 316 L HN 0.505 nan 8.230 nan 0.000 0.451 317 G N 0.680 109.489 108.800 0.014 0.000 2.283 317 G HA2 -0.258 3.703 3.960 0.001 0.000 0.280 317 G HA3 -0.258 3.703 3.960 0.001 0.000 0.280 317 G C 0.229 175.141 174.900 0.021 0.000 1.029 317 G CA 0.293 45.402 45.100 0.014 0.000 0.840 317 G HN 0.205 nan 8.290 nan 0.000 0.505 318 K N 0.134 120.553 120.400 0.032 0.000 2.166 318 K HA 0.572 4.893 4.320 0.001 0.000 0.245 318 K C -2.175 174.455 176.600 0.050 0.000 0.967 318 K CA -2.019 54.290 56.287 0.036 0.000 0.863 318 K CB 1.858 34.383 32.500 0.042 0.000 1.107 318 K HN 0.108 nan 8.250 nan 0.000 0.436 319 P HA 0.116 nan 4.420 nan 0.000 0.278 319 P C -1.134 176.217 177.300 0.085 0.000 1.238 319 P CA -0.212 62.921 63.100 0.055 0.000 0.794 319 P CB 0.427 32.138 31.700 0.018 0.000 0.955 320 Y N 3.114 123.404 120.300 -0.017 0.000 2.331 320 Y HA 0.586 5.138 4.550 0.003 0.000 0.338 320 Y C -0.284 175.599 175.900 -0.028 0.000 0.976 320 Y CA -0.793 57.298 58.100 -0.016 0.000 1.137 320 Y CB 1.214 39.672 38.460 -0.003 0.000 1.172 320 Y HN 0.292 nan 8.280 nan 0.000 0.478 321 R N 2.970 123.137 120.500 -0.554 0.000 2.725 321 R HA 0.362 4.703 4.340 0.001 0.000 0.277 321 R C -1.281 174.687 176.300 -0.554 0.000 0.987 321 R CA -0.710 55.122 56.100 -0.447 0.000 0.901 321 R CB 1.572 31.705 30.300 -0.278 0.000 1.207 321 R HN 0.623 nan 8.270 nan 0.000 0.463 322 Q N 1.778 121.371 119.800 -0.345 0.000 2.553 322 Q HA 0.170 4.511 4.340 0.001 0.000 0.221 322 Q C 0.581 176.487 176.000 -0.156 0.000 1.219 322 Q CA 0.163 55.838 55.803 -0.214 0.000 0.955 322 Q CB 1.318 30.010 28.738 -0.077 0.000 1.399 322 Q HN 0.967 nan 8.270 nan 0.000 0.551 323 G N 1.554 110.227 108.800 -0.212 0.000 2.464 323 G HA2 -0.067 3.893 3.960 0.001 0.000 0.217 323 G HA3 -0.067 3.893 3.960 0.001 0.000 0.217 323 G C 0.202 175.029 174.900 -0.122 0.000 1.138 323 G CA 0.333 45.266 45.100 -0.278 0.000 0.793 323 G HN 0.330 nan 8.290 nan 0.000 0.539 324 F N -1.083 118.965 119.950 0.163 0.000 2.561 324 F HA 0.669 5.199 4.527 0.005 0.000 0.321 324 F C -0.377 175.465 175.800 0.070 0.000 1.065 324 F CA -1.083 56.997 58.000 0.134 0.000 0.934 324 F CB 2.603 41.674 39.000 0.118 0.000 1.215 324 F HN -0.253 nan 8.300 nan 0.000 0.471 325 V N 1.982 122.067 119.914 0.285 0.000 2.577 325 V HA 0.342 4.463 4.120 0.001 0.000 0.303 325 V C -0.574 175.601 176.094 0.134 0.000 1.042 325 V CA -1.273 61.122 62.300 0.158 0.000 0.872 325 V CB 1.898 33.786 31.823 0.108 0.000 0.998 325 V HN 0.630 nan 8.190 nan 0.000 0.423 326 K N 3.772 124.224 120.400 0.087 0.000 2.248 326 K HA 0.324 4.645 4.320 0.001 0.000 0.281 326 K C -0.093 176.528 176.600 0.034 0.000 1.054 326 K CA -0.590 55.727 56.287 0.050 0.000 0.903 326 K CB 0.517 33.031 32.500 0.024 0.000 1.077 326 K HN 0.676 nan 8.250 nan 0.000 0.474 327 N N 3.677 122.400 118.700 0.040 0.000 2.447 327 N HA -0.056 4.685 4.740 0.001 0.000 0.263 327 N C 0.728 176.234 175.510 -0.007 0.000 1.226 327 N CA 0.231 53.310 53.050 0.048 0.000 0.906 327 N CB 0.992 39.520 38.487 0.070 0.000 1.060 327 N HN 0.614 nan 8.380 nan 0.000 0.468 328 R N 2.169 122.636 120.500 -0.055 0.000 2.189 328 R HA -0.045 4.296 4.340 0.001 0.000 0.218 328 R C -0.445 175.578 176.300 -0.461 0.000 1.074 328 R CA 1.108 57.026 56.100 -0.303 0.000 0.991 328 R CB 0.194 30.208 30.300 -0.477 0.000 0.883 328 R HN 0.538 nan 8.270 nan 0.000 0.457 329 Y N -0.828 119.479 120.300 0.012 0.000 2.391 329 Y HA 0.484 5.035 4.550 0.001 0.000 0.341 329 Y C -0.518 175.388 175.900 0.010 0.000 0.965 329 Y CA -1.080 57.027 58.100 0.011 0.000 1.067 329 Y CB 2.182 40.650 38.460 0.015 0.000 1.199 329 Y HN -0.354 nan 8.280 nan 0.000 0.450 330 V N 1.683 121.676 119.914 0.132 0.000 2.962 330 V HA 0.945 5.066 4.120 0.001 0.000 0.313 330 V C 0.092 176.224 176.094 0.063 0.000 1.099 330 V CA -0.714 61.631 62.300 0.076 0.000 0.971 330 V CB 2.064 33.907 31.823 0.032 0.000 1.028 330 V HN 0.974 nan 8.190 nan 0.000 0.430 331 G N 1.235 110.055 108.800 0.034 0.000 3.140 331 G HA2 0.634 4.595 3.960 0.001 0.000 0.271 331 G HA3 0.634 4.595 3.960 0.001 0.000 0.271 331 G C -0.923 173.931 174.900 -0.076 0.000 1.370 331 G CA -0.925 44.179 45.100 0.006 0.000 1.014 331 G HN 0.681 nan 8.290 nan 0.000 0.541 332 R N -1.174 119.222 120.500 -0.172 0.000 2.615 332 R HA 0.490 4.831 4.340 0.001 0.000 0.270 332 R C -0.770 175.240 176.300 -0.483 0.000 1.081 332 R CA 0.017 55.881 56.100 -0.394 0.000 1.154 332 R CB 0.507 30.428 30.300 -0.631 0.000 1.063 332 R HN 0.362 nan 8.270 nan 0.000 0.519 333 T N 4.019 118.299 114.554 -0.456 0.000 2.791 333 T HA 0.352 4.703 4.350 0.001 0.000 0.288 333 T C -0.952 173.550 174.700 -0.330 0.000 0.999 333 T CA -0.353 61.584 62.100 -0.272 0.000 0.952 333 T CB 0.231 69.032 68.868 -0.111 0.000 0.938 333 T HN 0.295 nan 8.240 nan 0.000 0.444 334 F N 2.998 122.949 119.950 0.001 0.000 2.399 334 F HA 0.397 4.925 4.527 0.001 0.000 0.342 334 F C 0.806 176.605 175.800 -0.001 0.000 1.106 334 F CA -1.517 56.483 58.000 -0.000 0.000 1.196 334 F CB 0.260 39.260 39.000 -0.000 0.000 1.163 334 F HN 0.391 nan 8.300 nan 0.000 0.547 335 I N 2.474 123.154 120.570 0.182 0.000 2.311 335 I HA 0.136 4.307 4.170 0.001 0.000 0.297 335 I C 0.192 176.364 176.117 0.092 0.000 1.131 335 I CA 0.050 61.409 61.300 0.099 0.000 1.289 335 I CB -0.592 37.446 38.000 0.063 0.000 1.446 335 I HN 0.634 nan 8.210 nan 0.000 0.524 336 M N 4.216 123.860 119.600 0.074 0.000 3.125 336 M HA 0.428 4.909 4.480 0.001 0.000 0.207 336 M C -1.454 174.864 176.300 0.030 0.000 1.574 336 M CA 0.184 55.512 55.300 0.047 0.000 1.430 336 M CB -1.441 31.184 32.600 0.042 0.000 0.998 336 M HN 0.351 nan 8.290 nan 0.000 0.574 337 P HA 0.456 nan 4.420 nan 0.000 0.285 337 P C 0.360 177.669 177.300 0.016 0.000 1.285 337 P CA -0.148 62.963 63.100 0.018 0.000 0.854 337 P CB 0.541 32.249 31.700 0.014 0.000 1.180 338 G N -0.485 108.322 108.800 0.012 0.000 2.309 338 G HA2 -0.339 3.622 3.960 0.001 0.000 0.286 338 G HA3 -0.339 3.622 3.960 0.001 0.000 0.286 338 G C 0.333 175.239 174.900 0.010 0.000 1.002 338 G CA 0.869 45.975 45.100 0.009 0.000 0.786 338 G HN 0.801 nan 8.290 nan 0.000 0.511 339 Q N -1.523 118.285 119.800 0.013 0.000 3.189 339 Q HA -0.209 4.132 4.340 0.001 0.000 0.046 339 Q C 1.003 177.009 176.000 0.010 0.000 1.687 339 Q CA 2.333 58.144 55.803 0.013 0.000 0.259 339 Q CB -0.425 28.319 28.738 0.011 0.000 0.599 339 Q HN 1.291 nan 8.270 nan 0.000 0.327 340 Q N 1.346 121.153 119.800 0.011 0.000 2.860 340 Q HA -0.298 4.043 4.340 0.001 0.000 0.195 340 Q C -0.097 175.904 176.000 0.001 0.000 2.836 340 Q CA 1.082 56.888 55.803 0.004 0.000 0.235 340 Q CB -1.064 27.674 28.738 -0.001 0.000 0.228 340 Q HN 1.177 nan 8.270 nan 0.000 0.425 341 L N -0.335 120.888 121.223 0.001 0.000 0.656 341 L HA -0.251 4.090 4.340 0.001 0.000 0.356 341 L C 0.719 177.585 176.870 -0.006 0.000 1.039 341 L CA 2.064 56.903 54.840 -0.001 0.000 1.223 341 L CB -0.585 41.476 42.059 0.004 0.000 0.108 341 L HN 0.837 nan 8.230 nan 0.000 0.102 342 R N 0.857 121.353 120.500 -0.007 0.000 2.293 342 R HA -0.012 4.329 4.340 0.001 0.000 0.219 342 R C 1.670 177.960 176.300 -0.017 0.000 1.091 342 R CA 1.682 57.775 56.100 -0.012 0.000 1.004 342 R CB -0.219 30.075 30.300 -0.010 0.000 0.865 342 R HN 0.621 nan 8.270 nan 0.000 0.469 343 R N -1.517 118.973 120.500 -0.016 0.000 1.302 343 R HA -0.305 4.036 4.340 0.001 0.000 0.040 343 R C 0.321 176.604 176.300 -0.029 0.000 0.959 343 R CA 2.384 58.468 56.100 -0.027 0.000 1.644 343 R CB -1.406 28.869 30.300 -0.042 0.000 0.352 343 R HN 0.057 nan 8.270 nan 0.000 0.620 344 K N 2.299 122.681 120.400 -0.030 0.000 2.322 344 K HA 0.278 4.599 4.320 0.001 0.000 0.283 344 K C -0.843 175.746 176.600 -0.018 0.000 1.042 344 K CA 0.265 56.536 56.287 -0.026 0.000 0.958 344 K CB 1.441 33.925 32.500 -0.027 0.000 0.984 344 K HN 0.289 nan 8.250 nan 0.000 0.473 345 S N 2.701 118.393 115.700 -0.015 0.000 2.546 345 S HA 0.340 4.811 4.470 0.001 0.000 0.274 345 S C 0.451 175.044 174.600 -0.012 0.000 1.121 345 S CA -0.825 57.368 58.200 -0.012 0.000 0.887 345 S CB 1.350 64.546 63.200 -0.007 0.000 1.094 345 S HN 0.222 nan 8.310 nan 0.000 0.474 346 V N 4.360 124.264 119.914 -0.017 0.000 2.548 346 V HA -0.031 4.089 4.120 0.001 0.000 0.249 346 V C 2.614 178.698 176.094 -0.016 0.000 1.055 346 V CA 2.074 64.359 62.300 -0.025 0.000 1.065 346 V CB -0.989 30.807 31.823 -0.045 0.000 0.681 346 V HN 0.907 nan 8.190 nan 0.000 0.462 347 R N 0.705 121.201 120.500 -0.007 0.000 2.261 347 R HA -0.131 4.210 4.340 0.001 0.000 0.236 347 R C 2.124 178.433 176.300 0.016 0.000 1.141 347 R CA 1.395 57.500 56.100 0.007 0.000 1.001 347 R CB -0.240 30.064 30.300 0.006 0.000 0.866 347 R HN 0.319 nan 8.270 nan 0.000 0.468 348 R N -0.186 120.321 120.500 0.011 0.000 2.246 348 R HA 0.085 4.425 4.340 0.001 0.000 0.199 348 R C 1.338 177.651 176.300 0.022 0.000 0.984 348 R CA 0.854 56.965 56.100 0.018 0.000 1.015 348 R CB 0.209 30.515 30.300 0.010 0.000 0.930 348 R HN 0.297 nan 8.270 nan 0.000 0.475 349 K N -0.417 119.991 120.400 0.013 0.000 2.276 349 K HA 0.247 4.568 4.320 0.001 0.000 0.198 349 K C 0.644 177.255 176.600 0.019 0.000 1.052 349 K CA 0.460 56.754 56.287 0.012 0.000 0.984 349 K CB 0.681 33.180 32.500 -0.003 0.000 0.836 349 K HN -0.058 nan 8.250 nan 0.000 0.490 350 L N 0.790 122.025 121.223 0.019 0.000 2.354 350 L HA 0.372 4.713 4.340 0.001 0.000 0.264 350 L C -1.153 175.783 176.870 0.110 0.000 1.008 350 L CA -1.098 53.773 54.840 0.052 0.000 0.819 350 L CB 2.012 44.053 42.059 -0.030 0.000 1.339 350 L HN -0.024 nan 8.230 nan 0.000 0.420 351 N N 0.900 119.709 118.700 0.181 0.000 2.249 351 N HA 0.644 5.385 4.740 0.001 0.000 0.296 351 N C -1.091 174.563 175.510 0.240 0.000 1.051 351 N CA -0.333 52.817 53.050 0.167 0.000 0.815 351 N CB 2.252 40.797 38.487 0.096 0.000 1.487 351 N HN 0.668 nan 8.380 nan 0.000 0.475 352 A N 2.513 125.395 122.820 0.103 0.000 2.301 352 A HA 0.304 4.625 4.320 0.001 0.000 0.298 352 A C -0.061 177.478 177.584 -0.076 0.000 1.185 352 A CA -0.594 51.334 52.037 -0.182 0.000 0.830 352 A CB 0.072 18.725 19.000 -0.578 0.000 1.112 352 A HN 0.714 nan 8.150 nan 0.000 0.508 353 N N 2.612 121.323 118.700 0.018 0.000 2.739 353 N HA 0.026 4.767 4.740 0.001 0.000 0.266 353 N C 1.205 176.785 175.510 0.117 0.000 1.168 353 N CA -0.048 53.034 53.050 0.053 0.000 1.055 353 N CB -0.265 38.243 38.487 0.035 0.000 1.393 353 N HN 0.720 nan 8.380 nan 0.000 0.514 354 R N 1.743 122.275 120.500 0.054 0.000 2.265 354 R HA -0.325 4.016 4.340 0.001 0.000 0.256 354 R C 1.781 178.161 176.300 0.134 0.000 1.120 354 R CA 2.570 58.715 56.100 0.075 0.000 0.956 354 R CB -0.647 29.661 30.300 0.014 0.000 0.925 354 R HN 0.594 nan 8.270 nan 0.000 0.448 355 A N 1.107 123.964 122.820 0.062 0.000 1.948 355 A HA -0.209 4.112 4.320 0.001 0.000 0.220 355 A C 1.765 179.340 177.584 -0.016 0.000 1.177 355 A CA 1.736 53.785 52.037 0.020 0.000 0.636 355 A CB -0.345 18.653 19.000 -0.005 0.000 0.815 355 A HN 0.288 nan 8.150 nan 0.000 0.449 356 E N -1.284 118.878 120.200 -0.063 0.000 2.478 356 E HA -0.037 4.314 4.350 0.001 0.000 0.198 356 E C 0.937 177.229 176.600 -0.513 0.000 1.046 356 E CA 0.636 56.853 56.400 -0.305 0.000 0.870 356 E CB -0.243 29.172 29.700 -0.474 0.000 0.818 356 E HN 0.791 nan 8.360 nan 0.000 0.527 357 F N 0.022 119.898 119.950 -0.123 0.000 2.637 357 F HA 0.211 4.738 4.527 -0.001 0.000 0.284 357 F C 1.209 176.966 175.800 -0.071 0.000 1.105 357 F CA -0.567 57.369 58.000 -0.108 0.000 1.356 357 F CB 0.052 38.971 39.000 -0.135 0.000 1.096 357 F HN -0.255 nan 8.300 nan 0.000 0.616 358 R N 2.504 123.073 120.500 0.115 0.000 2.549 358 R HA -0.128 4.212 4.340 0.001 0.000 0.336 358 R C -0.220 176.094 176.300 0.022 0.000 0.891 358 R CA 0.825 56.958 56.100 0.055 0.000 1.102 358 R CB -0.685 29.634 30.300 0.032 0.000 0.899 358 R HN 0.303 nan 8.270 nan 0.000 0.407 359 D N 2.563 122.978 120.400 0.024 0.000 2.708 359 D HA -0.205 4.436 4.640 0.001 0.000 0.236 359 D C -0.861 175.441 176.300 0.004 0.000 1.146 359 D CA 1.385 55.391 54.000 0.010 0.000 0.662 359 D CB -0.267 40.536 40.800 0.004 0.000 1.059 359 D HN 0.547 nan 8.370 nan 0.000 0.428 360 K N 0.179 120.582 120.400 0.006 0.000 2.435 360 K HA 0.359 4.680 4.320 0.001 0.000 0.251 360 K C -0.221 176.386 176.600 0.012 0.000 0.954 360 K CA -0.814 55.470 56.287 -0.005 0.000 0.820 360 K CB 1.550 34.023 32.500 -0.046 0.000 1.292 360 K HN -0.106 nan 8.250 nan 0.000 0.436 361 N N 1.883 120.601 118.700 0.031 0.000 2.434 361 N HA 0.245 4.986 4.740 0.001 0.000 0.272 361 N C -0.594 174.971 175.510 0.091 0.000 1.040 361 N CA -0.309 52.782 53.050 0.068 0.000 0.956 361 N CB 1.629 40.209 38.487 0.155 0.000 1.108 361 N HN 0.363 nan 8.380 nan 0.000 0.481 362 V N -0.175 119.790 119.914 0.086 0.000 2.960 362 V HA 0.647 4.768 4.120 0.001 0.000 0.315 362 V C -0.602 175.621 176.094 0.214 0.000 1.087 362 V CA -1.101 61.260 62.300 0.102 0.000 0.982 362 V CB 2.044 33.879 31.823 0.021 0.000 1.039 362 V HN 0.393 nan 8.190 nan 0.000 0.437 363 L N 3.955 125.298 121.223 0.200 0.000 2.316 363 L HA 0.655 4.996 4.340 0.001 0.000 0.280 363 L C -0.841 176.139 176.870 0.184 0.000 1.006 363 L CA -0.206 54.785 54.840 0.251 0.000 0.836 363 L CB 0.848 43.040 42.059 0.222 0.000 1.221 363 L HN 0.750 nan 8.230 nan 0.000 0.418 364 L N 5.800 127.144 121.223 0.202 0.000 2.289 364 L HA 0.603 4.944 4.340 0.001 0.000 0.285 364 L C -0.548 176.406 176.870 0.140 0.000 1.049 364 L CA -0.798 54.156 54.840 0.191 0.000 0.804 364 L CB 1.679 43.870 42.059 0.219 0.000 1.195 364 L HN 0.290 nan 8.230 nan 0.000 0.428 365 V N 1.961 121.950 119.914 0.124 0.000 2.384 365 V HA 0.422 4.543 4.120 0.001 0.000 0.287 365 V C -0.662 175.479 176.094 0.077 0.000 1.020 365 V CA -0.430 61.924 62.300 0.090 0.000 0.850 365 V CB 1.791 33.672 31.823 0.097 0.000 0.987 365 V HN 0.649 nan 8.190 nan 0.000 0.436 366 D N 1.840 122.273 120.400 0.055 0.000 2.575 366 D HA 0.296 4.937 4.640 0.001 0.000 0.236 366 D C 0.658 176.996 176.300 0.063 0.000 1.075 366 D CA -0.469 53.562 54.000 0.052 0.000 0.860 366 D CB 2.403 43.222 40.800 0.032 0.000 1.475 366 D HN 0.693 nan 8.370 nan 0.000 0.474 367 D N 0.600 121.046 120.400 0.077 0.000 2.144 367 D HA -0.069 4.571 4.640 0.001 0.000 0.199 367 D C 0.451 176.814 176.300 0.105 0.000 0.984 367 D CA 1.010 55.065 54.000 0.092 0.000 0.834 367 D CB 0.123 41.010 40.800 0.145 0.000 0.955 367 D HN 0.261 nan 8.370 nan 0.000 0.465 368 S N -1.525 114.238 115.700 0.105 0.000 2.655 368 S HA 0.508 4.979 4.470 0.001 0.000 0.266 368 S C -1.672 173.021 174.600 0.154 0.000 1.149 368 S CA -1.216 57.091 58.200 0.178 0.000 0.818 368 S CB 0.837 64.170 63.200 0.223 0.000 1.130 368 S HN 0.129 nan 8.310 nan 0.000 0.476 369 I N 1.861 122.560 120.570 0.214 0.000 2.500 369 I HA 0.392 4.563 4.170 0.001 0.000 0.286 369 I C -0.084 176.110 176.117 0.128 0.000 1.063 369 I CA -0.711 60.695 61.300 0.176 0.000 1.062 369 I CB 2.047 40.215 38.000 0.280 0.000 1.223 369 I HN 0.611 nan 8.210 nan 0.000 0.435 370 V N 5.261 125.213 119.914 0.063 0.000 2.868 370 V HA 0.145 4.266 4.120 0.001 0.000 0.227 370 V C 1.872 177.971 176.094 0.009 0.000 1.136 370 V CA 0.565 62.875 62.300 0.017 0.000 1.206 370 V CB -0.253 31.563 31.823 -0.011 0.000 0.997 370 V HN 0.678 nan 8.190 nan 0.000 0.505 371 R N 0.092 120.597 120.500 0.008 0.000 2.156 371 R HA 0.319 4.660 4.340 0.001 0.000 0.207 371 R C 1.786 178.099 176.300 0.021 0.000 1.040 371 R CA 0.965 57.068 56.100 0.005 0.000 1.013 371 R CB 0.112 30.410 30.300 -0.004 0.000 0.931 371 R HN 0.674 nan 8.270 nan 0.000 0.465 372 G N -0.089 108.729 108.800 0.030 0.000 2.258 372 G HA2 -0.327 3.634 3.960 0.001 0.000 0.233 372 G HA3 -0.327 3.634 3.960 0.001 0.000 0.233 372 G C 1.096 176.006 174.900 0.018 0.000 1.006 372 G CA 0.575 45.697 45.100 0.037 0.000 0.620 372 G HN 0.298 nan 8.290 nan 0.000 0.511 373 T N 1.453 116.012 114.554 0.008 0.000 2.653 373 T HA -0.182 4.168 4.350 0.001 0.000 0.268 373 T C 2.456 177.149 174.700 -0.011 0.000 1.035 373 T CA 2.660 64.759 62.100 -0.002 0.000 1.154 373 T CB -0.777 68.088 68.868 -0.005 0.000 0.862 373 T HN 0.569 nan 8.240 nan 0.000 0.441 374 T N 2.352 116.897 114.554 -0.015 0.000 2.607 374 T HA -0.156 4.195 4.350 0.001 0.000 0.267 374 T C 2.461 177.135 174.700 -0.043 0.000 1.049 374 T CA 1.764 63.843 62.100 -0.034 0.000 1.162 374 T CB -0.689 68.159 68.868 -0.033 0.000 0.863 374 T HN 0.464 nan 8.240 nan 0.000 0.424 375 S N 1.375 117.061 115.700 -0.023 0.000 2.372 375 S HA -0.217 4.253 4.470 0.001 0.000 0.227 375 S C 1.998 176.591 174.600 -0.013 0.000 1.044 375 S CA 1.402 59.592 58.200 -0.016 0.000 1.050 375 S CB -0.505 62.702 63.200 0.011 0.000 0.901 375 S HN 0.542 nan 8.310 nan 0.000 0.447 376 E N 1.301 121.498 120.200 -0.005 0.000 2.051 376 E HA -0.222 4.129 4.350 0.001 0.000 0.192 376 E C 2.225 178.819 176.600 -0.011 0.000 0.991 376 E CA 1.313 57.712 56.400 -0.003 0.000 0.799 376 E CB -0.192 29.509 29.700 0.002 0.000 0.748 376 E HN 0.633 nan 8.360 nan 0.000 0.449 377 Q N 0.105 119.893 119.800 -0.020 0.000 2.079 377 Q HA -0.099 4.242 4.340 0.001 0.000 0.200 377 Q C 2.450 178.430 176.000 -0.033 0.000 0.974 377 Q CA 1.314 57.102 55.803 -0.025 0.000 0.840 377 Q CB -0.072 28.649 28.738 -0.028 0.000 0.898 377 Q HN 0.369 nan 8.270 nan 0.000 0.430 378 I N 0.462 120.993 120.570 -0.065 0.000 2.264 378 I HA -0.312 3.859 4.170 0.001 0.000 0.248 378 I C 2.091 178.220 176.117 0.021 0.000 1.111 378 I CA 1.146 62.381 61.300 -0.108 0.000 1.382 378 I CB -0.194 37.669 38.000 -0.227 0.000 1.060 378 I HN 0.239 nan 8.210 nan 0.000 0.418 379 I N 0.457 121.037 120.570 0.017 0.000 2.202 379 I HA -0.275 3.896 4.170 0.001 0.000 0.242 379 I C 2.464 178.591 176.117 0.017 0.000 1.091 379 I CA 1.441 62.763 61.300 0.038 0.000 1.368 379 I CB -0.315 37.695 38.000 0.017 0.000 1.058 379 I HN 0.198 nan 8.210 nan 0.000 0.410 380 E N 0.424 120.623 120.200 -0.002 0.000 2.097 380 E HA -0.285 4.066 4.350 0.001 0.000 0.196 380 E C 2.293 178.875 176.600 -0.030 0.000 1.000 380 E CA 1.589 57.980 56.400 -0.016 0.000 0.804 380 E CB -0.158 29.532 29.700 -0.016 0.000 0.740 380 E HN 0.454 nan 8.360 nan 0.000 0.454 381 M N 0.135 119.726 119.600 -0.015 0.000 2.149 381 M HA -0.208 4.273 4.480 0.001 0.000 0.261 381 M C 2.451 178.632 176.300 -0.198 0.000 1.064 381 M CA 1.476 56.749 55.300 -0.045 0.000 1.102 381 M CB -0.247 32.404 32.600 0.084 0.000 1.369 381 M HN 0.155 nan 8.290 nan 0.000 0.408 382 A N 0.346 123.085 122.820 -0.136 0.000 1.877 382 A HA -0.142 4.179 4.320 0.001 0.000 0.216 382 A C 2.181 179.681 177.584 -0.141 0.000 1.186 382 A CA 1.330 53.209 52.037 -0.264 0.000 0.620 382 A CB -0.505 18.565 19.000 0.117 0.000 0.822 382 A HN 0.333 nan 8.150 nan 0.000 0.443 383 R N 0.068 120.532 120.500 -0.060 0.000 2.083 383 R HA -0.146 4.195 4.340 0.001 0.000 0.237 383 R C 1.880 178.146 176.300 -0.057 0.000 1.137 383 R CA 1.763 57.839 56.100 -0.040 0.000 0.951 383 R CB -0.821 29.460 30.300 -0.033 0.000 0.851 383 R HN 0.753 nan 8.270 nan 0.000 0.434 384 E N 0.445 120.596 120.200 -0.080 0.000 2.204 384 E HA -0.090 4.261 4.350 0.001 0.000 0.195 384 E C 1.565 178.107 176.600 -0.096 0.000 0.990 384 E CA 1.006 57.360 56.400 -0.076 0.000 0.821 384 E CB -0.045 29.612 29.700 -0.071 0.000 0.750 384 E HN 0.306 nan 8.360 nan 0.000 0.477 385 A N 0.332 123.049 122.820 -0.171 0.000 2.235 385 A HA 0.262 4.583 4.320 0.001 0.000 0.208 385 A C 1.601 179.181 177.584 -0.008 0.000 1.172 385 A CA 0.749 52.695 52.037 -0.152 0.000 0.786 385 A CB -0.262 18.494 19.000 -0.406 0.000 0.804 385 A HN 0.322 nan 8.150 nan 0.000 0.479 386 G N -2.242 106.557 108.800 -0.002 0.000 2.134 386 G HA2 0.156 4.117 3.960 0.001 0.000 0.209 386 G HA3 0.156 4.117 3.960 0.001 0.000 0.209 386 G C 0.302 175.239 174.900 0.060 0.000 0.993 386 G CA 0.096 45.214 45.100 0.030 0.000 0.669 386 G HN 1.507 nan 8.290 nan 0.000 0.519 387 A N -0.140 122.732 122.820 0.087 0.000 2.388 387 A HA 0.738 5.059 4.320 0.001 0.000 0.257 387 A C 1.199 178.799 177.584 0.026 0.000 1.095 387 A CA 0.972 53.069 52.037 0.099 0.000 0.791 387 A CB 0.537 19.645 19.000 0.181 0.000 1.029 387 A HN 0.371 nan 8.150 nan 0.000 0.489 388 K N 0.940 121.345 120.400 0.008 0.000 2.025 388 K HA 0.066 4.387 4.320 0.001 0.000 0.211 388 K C 0.033 176.595 176.600 -0.063 0.000 1.029 388 K CA 0.760 57.036 56.287 -0.018 0.000 0.948 388 K CB -0.130 32.365 32.500 -0.008 0.000 0.768 388 K HN 0.497 nan 8.250 nan 0.000 0.446 389 K N 1.730 122.069 120.400 -0.101 0.000 2.206 389 K HA 0.343 4.663 4.320 0.001 0.000 0.264 389 K C -0.931 175.428 176.600 -0.403 0.000 0.967 389 K CA -0.442 55.677 56.287 -0.280 0.000 0.844 389 K CB 2.130 34.463 32.500 -0.279 0.000 1.099 389 K HN -0.071 nan 8.250 nan 0.000 0.441 390 V N 4.346 123.961 119.914 -0.499 0.000 2.409 390 V HA 0.380 4.501 4.120 0.001 0.000 0.291 390 V C -1.068 174.718 176.094 -0.513 0.000 1.020 390 V CA -0.935 61.167 62.300 -0.329 0.000 0.848 390 V CB 0.741 32.507 31.823 -0.095 0.000 0.990 390 V HN 0.538 nan 8.190 nan 0.000 0.430 391 Y N 4.458 124.811 120.300 0.088 0.000 2.468 391 Y HA 0.774 5.318 4.550 -0.010 0.000 0.342 391 Y C -0.291 175.709 175.900 0.166 0.000 1.021 391 Y CA -1.141 57.037 58.100 0.130 0.000 1.079 391 Y CB 1.944 40.504 38.460 0.167 0.000 1.226 391 Y HN 0.530 nan 8.280 nan 0.000 0.460 392 L N 2.490 123.903 121.223 0.316 0.000 2.362 392 L HA 0.926 5.266 4.340 0.001 0.000 0.275 392 L C -0.989 175.929 176.870 0.080 0.000 0.998 392 L CA -0.743 54.195 54.840 0.163 0.000 0.820 392 L CB 1.410 43.511 42.059 0.070 0.000 1.270 392 L HN 0.697 nan 8.230 nan 0.000 0.415 393 A N 3.032 125.866 122.820 0.023 0.000 2.331 393 A HA 0.743 5.064 4.320 0.001 0.000 0.320 393 A C -0.749 176.791 177.584 -0.072 0.000 1.138 393 A CA -0.447 51.538 52.037 -0.087 0.000 0.790 393 A CB 1.329 20.291 19.000 -0.063 0.000 1.206 393 A HN 0.688 nan 8.150 nan 0.000 0.470 394 S N 1.884 117.515 115.700 -0.114 0.000 2.433 394 S HA 0.492 4.963 4.470 0.001 0.000 0.310 394 S C 1.102 175.733 174.600 0.052 0.000 1.097 394 S CA 0.031 58.240 58.200 0.015 0.000 1.103 394 S CB 0.980 64.256 63.200 0.126 0.000 0.992 394 S HN 1.493 nan 8.310 nan 0.000 0.469 395 A N 4.085 126.933 122.820 0.047 0.000 2.125 395 A HA 0.425 4.745 4.320 0.001 0.000 0.219 395 A C 1.077 178.664 177.584 0.006 0.000 1.156 395 A CA 1.136 53.185 52.037 0.019 0.000 0.671 395 A CB -0.445 18.570 19.000 0.025 0.000 0.794 395 A HN 1.128 nan 8.150 nan 0.000 0.459 396 A N -0.754 122.102 122.820 0.060 0.000 2.356 396 A HA 0.720 5.041 4.320 0.001 0.000 0.323 396 A C -2.925 174.650 177.584 -0.015 0.000 1.119 396 A CA -2.011 50.013 52.037 -0.022 0.000 0.790 396 A CB 0.902 20.010 19.000 0.181 0.000 1.273 396 A HN 0.084 nan 8.150 nan 0.000 0.452 397 P HA 0.254 nan 4.420 nan 0.000 0.274 397 P C -0.650 176.533 177.300 -0.195 0.000 1.260 397 P CA -0.217 62.713 63.100 -0.283 0.000 0.793 397 P CB 0.338 31.752 31.700 -0.477 0.000 1.048 398 E N -0.002 119.897 120.200 -0.502 0.000 2.414 398 E HA 0.091 4.442 4.350 0.001 0.000 0.263 398 E C -0.294 176.305 176.600 -0.003 0.000 1.000 398 E CA 0.578 56.635 56.400 -0.571 0.000 0.914 398 E CB -0.328 28.991 29.700 -0.635 0.000 0.948 398 E HN 0.258 nan 8.360 nan 0.000 0.444 399 I N 3.797 124.359 120.570 -0.013 0.000 2.307 399 I HA 0.208 4.379 4.170 0.001 0.000 0.289 399 I C 1.026 177.039 176.117 -0.173 0.000 1.021 399 I CA -0.043 61.230 61.300 -0.045 0.000 1.224 399 I CB 0.616 38.570 38.000 -0.076 0.000 1.376 399 I HN 0.453 nan 8.210 nan 0.000 0.470 400 R N 4.062 124.386 120.500 -0.293 0.000 2.517 400 R HA 0.302 4.643 4.340 0.001 0.000 0.265 400 R C -0.576 175.166 176.300 -0.929 0.000 0.921 400 R CA 0.024 55.750 56.100 -0.624 0.000 1.054 400 R CB 0.633 30.401 30.300 -0.886 0.000 1.340 400 R HN 0.335 nan 8.270 nan 0.000 0.551 401 F N 0.874 120.788 119.950 -0.060 0.000 2.598 401 F HA 0.496 5.024 4.527 0.002 0.000 0.327 401 F C -2.206 173.538 175.800 -0.093 0.000 1.057 401 F CA -3.249 54.725 58.000 -0.043 0.000 0.957 401 F CB 0.567 39.554 39.000 -0.020 0.000 1.278 401 F HN -0.320 nan 8.300 nan 0.000 0.484 402 P HA 0.100 nan 4.420 nan 0.000 0.275 402 P C -1.068 176.236 177.300 0.006 0.000 1.228 402 P CA -0.491 62.612 63.100 0.006 0.000 0.786 402 P CB 0.559 32.246 31.700 -0.021 0.000 0.927 403 N N 2.365 121.001 118.700 -0.108 0.000 2.501 403 N HA 0.121 4.862 4.740 0.001 0.000 0.245 403 N C 0.116 175.527 175.510 -0.165 0.000 0.974 403 N CA -0.412 52.545 53.050 -0.155 0.000 0.941 403 N CB 1.022 39.376 38.487 -0.221 0.000 1.122 403 N HN 0.102 nan 8.380 nan 0.000 0.507 404 V N 1.908 121.660 119.914 -0.271 0.000 3.421 404 V HA 0.267 4.388 4.120 0.001 0.000 0.316 404 V C -0.164 175.811 176.094 -0.199 0.000 1.347 404 V CA 0.032 62.173 62.300 -0.264 0.000 1.183 404 V CB -1.364 30.255 31.823 -0.339 0.000 1.092 404 V HN 0.446 nan 8.190 nan 0.000 0.433 405 Y N 1.532 121.851 120.300 0.033 0.000 2.607 405 Y HA 0.680 5.231 4.550 0.001 0.000 0.266 405 Y C 1.735 177.628 175.900 -0.012 0.000 1.178 405 Y CA -1.027 57.091 58.100 0.029 0.000 1.226 405 Y CB 0.478 38.954 38.460 0.027 0.000 1.144 405 Y HN 0.428 nan 8.280 nan 0.000 0.528 406 G N 0.331 109.175 108.800 0.074 0.000 2.143 406 G HA2 -0.196 3.765 3.960 0.001 0.000 0.175 406 G HA3 -0.196 3.765 3.960 0.001 0.000 0.175 406 G C -0.233 174.578 174.900 -0.147 0.000 1.004 406 G CA -0.454 44.639 45.100 -0.011 0.000 0.671 406 G HN 0.244 nan 8.290 nan 0.000 0.512 407 I N 1.423 121.888 120.570 -0.175 0.000 2.410 407 I HA 0.238 4.409 4.170 0.001 0.000 0.286 407 I C -0.499 175.513 176.117 -0.176 0.000 1.009 407 I CA -0.784 60.331 61.300 -0.309 0.000 1.111 407 I CB 1.582 39.332 38.000 -0.417 0.000 1.262 407 I HN 0.073 nan 8.210 nan 0.000 0.443 408 D N 6.297 126.671 120.400 -0.043 0.000 2.434 408 D HA 0.232 4.873 4.640 0.001 0.000 0.252 408 D C -0.452 175.843 176.300 -0.008 0.000 1.185 408 D CA 0.594 54.636 54.000 0.070 0.000 0.886 408 D CB 0.600 41.580 40.800 0.301 0.000 1.148 408 D HN 0.162 nan 8.370 nan 0.000 0.483 409 M N 3.647 123.207 119.600 -0.066 0.000 2.690 409 M HA 0.540 5.021 4.480 0.001 0.000 0.302 409 M C -2.341 173.911 176.300 -0.079 0.000 1.234 409 M CA -2.370 52.861 55.300 -0.115 0.000 0.853 409 M CB 1.916 34.404 32.600 -0.187 0.000 1.748 409 M HN 0.195 nan 8.290 nan 0.000 0.469 410 P HA 0.419 nan 4.420 nan 0.000 0.279 410 P C -1.242 175.995 177.300 -0.104 0.000 1.276 410 P CA -0.658 62.395 63.100 -0.078 0.000 0.801 410 P CB 0.414 32.071 31.700 -0.072 0.000 1.127 411 S N -0.568 115.069 115.700 -0.105 0.000 2.572 411 S HA 0.285 4.756 4.470 0.001 0.000 0.279 411 S C 1.359 175.840 174.600 -0.198 0.000 1.341 411 S CA -0.019 58.101 58.200 -0.135 0.000 1.043 411 S CB 0.454 63.583 63.200 -0.118 0.000 0.887 411 S HN 0.525 nan 8.310 nan 0.000 0.516 412 A N 2.060 124.718 122.820 -0.270 0.000 1.927 412 A HA -0.119 4.202 4.320 0.001 0.000 0.220 412 A C 2.235 179.441 177.584 -0.630 0.000 1.185 412 A CA 2.321 54.076 52.037 -0.471 0.000 0.639 412 A CB -1.758 16.890 19.000 -0.587 0.000 0.820 412 A HN 0.947 nan 8.150 nan 0.000 0.451 413 T N -1.008 113.261 114.554 -0.475 0.000 3.155 413 T HA -0.026 4.325 4.350 0.001 0.000 0.264 413 T C 1.243 175.861 174.700 -0.137 0.000 1.160 413 T CA 1.380 63.305 62.100 -0.292 0.000 1.075 413 T CB -0.372 68.396 68.868 -0.166 0.000 0.921 413 T HN 0.670 nan 8.240 nan 0.000 0.533 414 E N -0.281 119.837 120.200 -0.136 0.000 2.489 414 E HA 0.232 4.582 4.350 0.001 0.000 0.204 414 E C -0.151 176.413 176.600 -0.060 0.000 1.006 414 E CA -0.142 56.212 56.400 -0.077 0.000 0.936 414 E CB 0.509 30.165 29.700 -0.073 0.000 1.002 414 E HN 0.435 nan 8.360 nan 0.000 0.488 415 L N 2.177 123.352 121.223 -0.080 0.000 2.283 415 L HA 0.233 4.574 4.340 0.001 0.000 0.287 415 L C 1.377 178.253 176.870 0.010 0.000 1.073 415 L CA -0.117 54.694 54.840 -0.049 0.000 0.822 415 L CB 0.952 42.957 42.059 -0.090 0.000 1.186 415 L HN 0.139 nan 8.230 nan 0.000 0.436 416 I N 2.761 123.341 120.570 0.018 0.000 2.335 416 I HA -0.306 3.865 4.170 0.001 0.000 0.251 416 I C 2.322 178.464 176.117 0.042 0.000 1.129 416 I CA 1.628 62.952 61.300 0.040 0.000 1.402 416 I CB 0.357 38.388 38.000 0.053 0.000 1.069 416 I HN 0.831 nan 8.210 nan 0.000 0.424 417 A N -0.733 122.098 122.820 0.018 0.000 2.119 417 A HA -0.210 4.111 4.320 0.001 0.000 0.217 417 A C 1.150 178.692 177.584 -0.071 0.000 1.153 417 A CA 0.412 52.431 52.037 -0.030 0.000 0.692 417 A CB -0.931 18.003 19.000 -0.110 0.000 0.799 417 A HN 0.676 nan 8.150 nan 0.000 0.458 418 H N 0.078 119.064 119.070 -0.141 0.000 3.191 418 H HA 0.350 4.907 4.556 0.001 0.000 0.261 418 H C 1.259 176.523 175.328 -0.106 0.000 1.013 418 H CA 0.603 56.547 56.048 -0.173 0.000 1.457 418 H CB -0.494 29.169 29.762 -0.166 0.000 1.535 418 H HN 0.496 nan 8.280 nan 0.000 0.518 419 G N 4.390 112.877 108.800 -0.522 0.000 2.198 419 G HA2 -0.273 3.688 3.960 0.001 0.000 0.257 419 G HA3 -0.273 3.688 3.960 0.001 0.000 0.257 419 G C 0.049 174.858 174.900 -0.153 0.000 1.042 419 G CA 0.234 45.110 45.100 -0.374 0.000 0.791 419 G HN 0.766 nan 8.290 nan 0.000 0.502 420 R N -0.627 119.812 120.500 -0.101 0.000 2.673 420 R HA 0.430 4.771 4.340 0.001 0.000 0.281 420 R C -0.663 175.636 176.300 -0.002 0.000 0.991 420 R CA -0.991 55.092 56.100 -0.029 0.000 0.896 420 R CB 1.345 31.647 30.300 0.004 0.000 1.201 420 R HN 0.136 nan 8.270 nan 0.000 0.457 421 E N 1.474 121.689 120.200 0.024 0.000 2.349 421 E HA 0.051 4.402 4.350 0.001 0.000 0.265 421 E C 1.134 177.793 176.600 0.099 0.000 1.064 421 E CA -0.122 56.308 56.400 0.051 0.000 0.886 421 E CB 1.559 31.288 29.700 0.047 0.000 1.036 421 E HN 0.339 nan 8.360 nan 0.000 0.413 422 V N 2.083 122.084 119.914 0.145 0.000 2.363 422 V HA -0.321 3.800 4.120 0.001 0.000 0.254 422 V C 1.770 177.961 176.094 0.162 0.000 1.074 422 V CA 2.412 64.847 62.300 0.224 0.000 1.069 422 V CB -0.475 31.500 31.823 0.253 0.000 0.659 422 V HN 0.654 nan 8.190 nan 0.000 0.455 423 D N -0.688 119.783 120.400 0.120 0.000 2.183 423 D HA -0.146 4.495 4.640 0.001 0.000 0.203 423 D C 2.254 178.601 176.300 0.077 0.000 0.969 423 D CA 1.029 55.087 54.000 0.096 0.000 0.842 423 D CB -0.033 40.814 40.800 0.078 0.000 0.957 423 D HN 0.535 nan 8.370 nan 0.000 0.484 424 E N -0.378 119.865 120.200 0.071 0.000 2.150 424 E HA -0.123 4.228 4.350 0.001 0.000 0.193 424 E C 2.035 178.674 176.600 0.064 0.000 0.985 424 E CA 0.618 57.051 56.400 0.055 0.000 0.814 424 E CB 0.062 29.788 29.700 0.043 0.000 0.752 424 E HN 0.384 nan 8.360 nan 0.000 0.466 425 I N 0.390 121.014 120.570 0.090 0.000 2.233 425 I HA -0.226 3.945 4.170 0.001 0.000 0.243 425 I C 2.801 178.969 176.117 0.085 0.000 1.093 425 I CA 0.749 62.111 61.300 0.103 0.000 1.380 425 I CB -0.356 37.748 38.000 0.174 0.000 1.067 425 I HN 0.072 nan 8.210 nan 0.000 0.413 426 R N 1.160 121.712 120.500 0.088 0.000 2.103 426 R HA -0.256 4.085 4.340 0.001 0.000 0.242 426 R C 2.249 178.578 176.300 0.049 0.000 1.142 426 R CA 1.977 58.118 56.100 0.068 0.000 0.960 426 R CB -0.207 30.145 30.300 0.086 0.000 0.858 426 R HN 0.469 nan 8.270 nan 0.000 0.439 427 Q N 0.074 119.902 119.800 0.047 0.000 2.020 427 Q HA -0.156 4.185 4.340 0.001 0.000 0.202 427 Q C 2.311 178.327 176.000 0.027 0.000 0.982 427 Q CA 1.897 57.719 55.803 0.032 0.000 0.838 427 Q CB -0.156 28.601 28.738 0.031 0.000 0.899 427 Q HN 0.428 nan 8.270 nan 0.000 0.423 428 I N 1.065 121.655 120.570 0.033 0.000 2.208 428 I HA -0.264 3.907 4.170 0.001 0.000 0.245 428 I C 2.357 178.489 176.117 0.024 0.000 1.097 428 I CA 1.172 62.489 61.300 0.028 0.000 1.363 428 I CB -0.353 37.667 38.000 0.033 0.000 1.051 428 I HN 0.326 nan 8.210 nan 0.000 0.413 429 I N -1.345 119.243 120.570 0.029 0.000 3.428 429 I HA 0.267 4.437 4.170 0.001 0.000 0.286 429 I C 1.398 177.523 176.117 0.013 0.000 1.287 429 I CA 0.665 61.979 61.300 0.022 0.000 1.396 429 I CB -0.465 37.552 38.000 0.029 0.000 1.062 429 I HN 0.266 nan 8.210 nan 0.000 0.471 430 G N 1.723 110.530 108.800 0.011 0.000 2.221 430 G HA2 -0.204 3.757 3.960 0.001 0.000 0.265 430 G HA3 -0.204 3.757 3.960 0.001 0.000 0.265 430 G C 0.261 175.154 174.900 -0.011 0.000 1.041 430 G CA 0.180 45.280 45.100 -0.001 0.000 0.807 430 G HN 0.976 nan 8.290 nan 0.000 0.502 431 A N -0.665 122.154 122.820 -0.001 0.000 2.293 431 A HA 0.672 4.993 4.320 0.001 0.000 0.302 431 A C 1.123 178.687 177.584 -0.034 0.000 1.119 431 A CA 0.273 52.302 52.037 -0.014 0.000 0.823 431 A CB 0.615 19.634 19.000 0.031 0.000 1.097 431 A HN 0.158 nan 8.150 nan 0.000 0.491 432 D N 0.855 121.179 120.400 -0.127 0.000 2.234 432 D HA 0.096 4.737 4.640 0.001 0.000 0.205 432 D C 0.809 177.123 176.300 0.024 0.000 0.962 432 D CA 1.707 55.626 54.000 -0.135 0.000 0.855 432 D CB 0.331 40.905 40.800 -0.376 0.000 0.951 432 D HN 0.677 nan 8.370 nan 0.000 0.500 433 G N 0.328 109.219 108.800 0.152 0.000 2.746 433 G HA2 0.485 4.446 3.960 0.001 0.000 0.297 433 G HA3 0.485 4.446 3.960 0.001 0.000 0.297 433 G C -2.035 173.133 174.900 0.446 0.000 1.426 433 G CA -0.445 44.807 45.100 0.254 0.000 0.989 433 G HN 0.033 nan 8.290 nan 0.000 0.520 434 L N 2.033 123.556 121.223 0.499 0.000 2.436 434 L HA 0.856 5.196 4.340 0.001 0.000 0.268 434 L C -1.243 175.714 176.870 0.144 0.000 0.974 434 L CA -0.956 54.042 54.840 0.262 0.000 0.826 434 L CB 1.754 43.838 42.059 0.041 0.000 1.291 434 L HN 0.595 nan 8.230 nan 0.000 0.406 435 I N 4.014 124.445 120.570 -0.231 0.000 2.607 435 I HA 0.507 4.678 4.170 0.001 0.000 0.290 435 I C -1.449 174.398 176.117 -0.450 0.000 1.129 435 I CA -0.361 60.674 61.300 -0.441 0.000 1.042 435 I CB 1.424 38.829 38.000 -0.992 0.000 1.242 435 I HN 0.524 nan 8.210 nan 0.000 0.421 436 F N 4.287 124.165 119.950 -0.120 0.000 2.450 436 F HA 0.490 5.020 4.527 0.005 0.000 0.328 436 F C 0.405 176.128 175.800 -0.128 0.000 1.068 436 F CA -0.370 57.576 58.000 -0.091 0.000 1.007 436 F CB 1.049 40.021 39.000 -0.047 0.000 1.251 436 F HN 0.415 nan 8.300 nan 0.000 0.492 437 Q N 1.050 120.908 119.800 0.097 0.000 2.394 437 Q HA 0.142 4.482 4.340 0.001 0.000 0.248 437 Q C -1.248 174.724 176.000 -0.047 0.000 0.992 437 Q CA -0.038 55.748 55.803 -0.027 0.000 0.888 437 Q CB 0.520 29.217 28.738 -0.067 0.000 1.257 437 Q HN 0.381 nan 8.270 nan 0.000 0.462 438 D N 2.832 123.191 120.400 -0.068 0.000 2.256 438 D HA 0.027 4.667 4.640 0.001 0.000 0.250 438 D C 0.743 176.982 176.300 -0.101 0.000 1.093 438 D CA -0.273 53.688 54.000 -0.065 0.000 0.882 438 D CB 1.321 42.093 40.800 -0.048 0.000 1.185 438 D HN 0.597 nan 8.370 nan 0.000 0.437 439 L N 4.305 125.462 121.223 -0.109 0.000 2.043 439 L HA -0.241 4.099 4.340 0.001 0.000 0.212 439 L C 1.782 178.613 176.870 -0.065 0.000 1.075 439 L CA 1.778 56.541 54.840 -0.129 0.000 0.752 439 L CB -0.593 41.425 42.059 -0.067 0.000 0.891 439 L HN 0.439 nan 8.230 nan 0.000 0.432 440 N N -1.194 117.485 118.700 -0.035 0.000 2.120 440 N HA -0.210 4.531 4.740 0.001 0.000 0.188 440 N C 1.402 176.898 175.510 -0.024 0.000 1.024 440 N CA 1.681 54.723 53.050 -0.013 0.000 0.852 440 N CB -0.971 37.512 38.487 -0.007 0.000 1.003 440 N HN 0.358 nan 8.380 nan 0.000 0.424 441 D N 0.814 121.187 120.400 -0.044 0.000 2.117 441 D HA -0.093 4.548 4.640 0.001 0.000 0.197 441 D C 2.065 178.327 176.300 -0.063 0.000 0.987 441 D CA 0.427 54.397 54.000 -0.051 0.000 0.829 441 D CB -0.293 40.471 40.800 -0.061 0.000 0.961 441 D HN 0.188 nan 8.370 nan 0.000 0.460 442 L N 0.799 121.968 121.223 -0.090 0.000 1.994 442 L HA -0.091 4.250 4.340 0.001 0.000 0.208 442 L C 2.159 178.977 176.870 -0.087 0.000 1.071 442 L CA 1.321 56.092 54.840 -0.115 0.000 0.745 442 L CB -0.620 41.328 42.059 -0.186 0.000 0.892 442 L HN -0.031 nan 8.230 nan 0.000 0.431 443 I N 0.047 120.600 120.570 -0.029 0.000 2.151 443 I HA -0.352 3.819 4.170 0.001 0.000 0.243 443 I C 2.058 178.232 176.117 0.095 0.000 1.080 443 I CA 1.700 63.053 61.300 0.088 0.000 1.339 443 I CB -0.615 37.471 38.000 0.143 0.000 1.039 443 I HN 0.331 nan 8.210 nan 0.000 0.409 444 D N 0.865 121.284 120.400 0.032 0.000 2.144 444 D HA -0.130 4.511 4.640 0.001 0.000 0.200 444 D C 2.287 178.580 176.300 -0.012 0.000 0.978 444 D CA 1.510 55.519 54.000 0.016 0.000 0.833 444 D CB -0.312 40.485 40.800 -0.006 0.000 0.961 444 D HN 0.377 nan 8.370 nan 0.000 0.470 445 A N 0.646 123.440 122.820 -0.043 0.000 1.908 445 A HA -0.156 4.165 4.320 0.001 0.000 0.218 445 A C 2.484 180.010 177.584 -0.096 0.000 1.181 445 A CA 1.536 53.530 52.037 -0.072 0.000 0.627 445 A CB -0.578 18.371 19.000 -0.086 0.000 0.818 445 A HN 0.180 nan 8.150 nan 0.000 0.445 446 V N -0.984 118.853 119.914 -0.127 0.000 2.426 446 V HA -0.083 4.038 4.120 0.001 0.000 0.242 446 V C 2.469 178.540 176.094 -0.040 0.000 1.036 446 V CA 1.548 63.711 62.300 -0.229 0.000 1.044 446 V CB -0.767 30.712 31.823 -0.573 0.000 0.688 446 V HN 0.528 nan 8.190 nan 0.000 0.462 447 R N 0.503 121.093 120.500 0.150 0.000 2.103 447 R HA -0.217 4.124 4.340 0.001 0.000 0.242 447 R C 2.303 178.628 176.300 0.041 0.000 1.142 447 R CA 1.643 57.836 56.100 0.155 0.000 0.960 447 R CB -0.545 29.829 30.300 0.123 0.000 0.858 447 R HN 0.521 nan 8.270 nan 0.000 0.439 448 A N 0.657 123.483 122.820 0.010 0.000 2.093 448 A HA -0.187 4.134 4.320 0.001 0.000 0.222 448 A C 1.678 179.255 177.584 -0.011 0.000 1.162 448 A CA 1.517 53.548 52.037 -0.010 0.000 0.655 448 A CB -0.251 18.733 19.000 -0.027 0.000 0.805 448 A HN 0.305 nan 8.150 nan 0.000 0.461 449 E N -1.231 118.962 120.200 -0.011 0.000 2.400 449 E HA 0.004 4.355 4.350 0.001 0.000 0.195 449 E C -0.220 176.395 176.600 0.025 0.000 1.012 449 E CA 0.284 56.685 56.400 0.002 0.000 0.875 449 E CB 0.155 29.849 29.700 -0.010 0.000 0.859 449 E HN 0.577 nan 8.360 nan 0.000 0.498 450 N N -0.079 118.636 118.700 0.025 0.000 2.932 450 N HA 0.061 4.801 4.740 0.001 0.000 0.242 450 N C -2.395 173.118 175.510 0.005 0.000 1.351 450 N CA -1.039 52.028 53.050 0.028 0.000 0.785 450 N CB 1.220 39.740 38.487 0.055 0.000 1.501 450 N HN -0.262 nan 8.380 nan 0.000 0.584 451 P HA -0.053 nan 4.420 nan 0.000 0.220 451 P C 0.223 177.497 177.300 -0.044 0.000 1.148 451 P CA 0.897 63.983 63.100 -0.024 0.000 0.803 451 P CB 0.471 32.161 31.700 -0.016 0.000 0.782 452 D N -0.177 120.204 120.400 -0.032 0.000 2.311 452 D HA -0.064 4.577 4.640 0.001 0.000 0.212 452 D C 0.875 177.128 176.300 -0.078 0.000 0.972 452 D CA 0.748 54.724 54.000 -0.039 0.000 0.887 452 D CB -0.205 40.586 40.800 -0.015 0.000 0.915 452 D HN 0.215 nan 8.370 nan 0.000 0.497 453 I N 2.027 122.524 120.570 -0.121 0.000 2.308 453 I HA 0.027 4.198 4.170 0.001 0.000 0.293 453 I C 1.327 177.247 176.117 -0.328 0.000 1.078 453 I CA 0.049 61.195 61.300 -0.255 0.000 1.292 453 I CB 1.247 39.022 38.000 -0.374 0.000 1.423 453 I HN -0.141 nan 8.210 nan 0.000 0.493 454 Q N 3.989 123.637 119.800 -0.253 0.000 2.354 454 Q HA 0.096 4.437 4.340 0.001 0.000 0.203 454 Q C 0.470 176.326 176.000 -0.240 0.000 0.933 454 Q CA 0.621 56.306 55.803 -0.197 0.000 0.901 454 Q CB 0.847 29.517 28.738 -0.114 0.000 1.007 454 Q HN 0.641 nan 8.270 nan 0.000 0.495 455 Q N -0.668 118.937 119.800 -0.325 0.000 2.309 455 Q HA 0.409 4.750 4.340 0.001 0.000 0.273 455 Q C -1.632 174.191 176.000 -0.296 0.000 1.040 455 Q CA -0.327 55.331 55.803 -0.243 0.000 0.834 455 Q CB 1.554 30.233 28.738 -0.097 0.000 1.345 455 Q HN -0.099 nan 8.270 nan 0.000 0.414 456 F N 0.747 120.723 119.950 0.042 0.000 2.497 456 F HA 0.337 4.865 4.527 0.002 0.000 0.331 456 F C 0.442 176.283 175.800 0.069 0.000 1.060 456 F CA -0.739 57.306 58.000 0.074 0.000 0.989 456 F CB 1.324 40.389 39.000 0.108 0.000 1.245 456 F HN 0.371 nan 8.300 nan 0.000 0.486 457 E N 1.747 122.136 120.200 0.315 0.000 1.996 457 E HA 0.222 4.573 4.350 0.001 0.000 0.280 457 E C -0.850 175.871 176.600 0.202 0.000 1.092 457 E CA -0.080 56.430 56.400 0.184 0.000 0.862 457 E CB 0.350 30.120 29.700 0.116 0.000 1.066 457 E HN 0.706 nan 8.360 nan 0.000 0.396 458 C N 2.538 121.931 119.300 0.156 0.000 3.206 458 C HA 0.335 4.796 4.460 0.001 0.000 0.206 458 C C 1.658 176.644 174.990 -0.008 0.000 1.836 458 C CA -0.207 58.906 59.018 0.158 0.000 1.382 458 C CB -1.372 26.589 27.740 0.368 0.000 2.405 458 C HN 0.532 nan 8.230 nan 0.000 0.516 459 S N 1.481 117.074 115.700 -0.177 0.000 2.382 459 S HA -0.209 4.261 4.470 0.001 0.000 0.228 459 S C 1.770 176.199 174.600 -0.285 0.000 1.027 459 S CA 1.799 59.719 58.200 -0.466 0.000 0.991 459 S CB -1.031 61.580 63.200 -0.980 0.000 0.823 459 S HN 1.391 nan 8.310 nan 0.000 0.469 460 V N -1.199 118.529 119.914 -0.310 0.000 2.453 460 V HA -0.127 3.994 4.120 0.001 0.000 0.252 460 V C 2.052 178.025 176.094 -0.201 0.000 1.068 460 V CA 1.613 63.705 62.300 -0.347 0.000 1.070 460 V CB -1.460 29.939 31.823 -0.707 0.000 0.664 460 V HN 0.371 nan 8.190 nan 0.000 0.461 461 F N 2.869 122.876 119.950 0.096 0.000 2.164 461 F HA 0.134 4.662 4.527 0.002 0.000 0.287 461 F C 2.459 178.385 175.800 0.209 0.000 1.086 461 F CA 1.486 59.556 58.000 0.116 0.000 1.249 461 F CB -1.169 37.862 39.000 0.052 0.000 1.059 461 F HN 0.432 nan 8.300 nan 0.000 0.490 462 N N -0.551 118.273 118.700 0.206 0.000 2.409 462 N HA 0.157 4.898 4.740 0.001 0.000 0.174 462 N C 1.511 176.687 175.510 -0.557 0.000 1.037 462 N CA 1.106 54.137 53.050 -0.032 0.000 0.898 462 N CB -0.346 38.124 38.487 -0.028 0.000 1.010 462 N HN 0.339 nan 8.380 nan 0.000 0.445 463 G N -0.931 107.426 108.800 -0.740 0.000 2.131 463 G HA2 -0.203 3.758 3.960 0.001 0.000 0.223 463 G HA3 -0.203 3.758 3.960 0.001 0.000 0.223 463 G C -0.664 173.891 174.900 -0.576 0.000 0.990 463 G CA 0.176 44.630 45.100 -1.077 0.000 0.671 463 G HN 0.320 nan 8.290 nan 0.000 0.521 464 V N 1.399 121.013 119.914 -0.500 0.000 2.333 464 V HA 0.509 4.629 4.120 0.001 0.000 0.274 464 V C -0.208 175.678 176.094 -0.346 0.000 1.028 464 V CA -0.863 61.281 62.300 -0.260 0.000 0.851 464 V CB 0.613 32.358 31.823 -0.131 0.000 1.000 464 V HN 0.258 nan 8.190 nan 0.000 0.456 465 Y N 3.597 123.904 120.300 0.011 0.000 2.383 465 Y HA 0.246 4.797 4.550 0.002 0.000 0.344 465 Y C 0.925 176.920 175.900 0.158 0.000 0.986 465 Y CA -0.137 58.042 58.100 0.131 0.000 1.175 465 Y CB 1.633 40.140 38.460 0.078 0.000 1.152 465 Y HN 0.369 nan 8.280 nan 0.000 0.511 466 V N 2.795 122.861 119.914 0.254 0.000 2.970 466 V HA -0.099 4.022 4.120 0.001 0.000 0.260 466 V C 0.933 177.093 176.094 0.109 0.000 1.100 466 V CA 1.451 63.823 62.300 0.120 0.000 1.122 466 V CB -0.540 31.299 31.823 0.027 0.000 0.721 466 V HN 0.905 nan 8.190 nan 0.000 0.483 467 T N -1.781 112.895 114.554 0.204 0.000 2.856 467 T HA 0.202 4.553 4.350 0.001 0.000 0.292 467 T C 1.188 175.985 174.700 0.162 0.000 0.980 467 T CA -0.290 61.897 62.100 0.145 0.000 1.091 467 T CB 1.299 70.272 68.868 0.174 0.000 0.936 467 T HN 0.569 nan 8.240 nan 0.000 0.503 468 K N 2.340 122.804 120.400 0.108 0.000 2.160 468 K HA -0.220 4.101 4.320 0.001 0.000 0.206 468 K C 1.526 178.186 176.600 0.101 0.000 1.047 468 K CA 1.870 58.214 56.287 0.094 0.000 0.930 468 K CB -0.431 32.111 32.500 0.069 0.000 0.720 468 K HN 0.834 nan 8.250 nan 0.000 0.450 469 D N 1.914 122.381 120.400 0.112 0.000 2.149 469 D HA -0.126 4.515 4.640 0.001 0.000 0.201 469 D C 2.019 178.374 176.300 0.092 0.000 0.972 469 D CA 0.998 55.057 54.000 0.099 0.000 0.835 469 D CB -0.281 40.579 40.800 0.099 0.000 0.966 469 D HN 0.153 nan 8.370 nan 0.000 0.476 470 V N 1.435 121.405 119.914 0.093 0.000 2.453 470 V HA -0.268 3.853 4.120 0.001 0.000 0.252 470 V C 2.330 178.477 176.094 0.088 0.000 1.068 470 V CA 2.176 64.487 62.300 0.019 0.000 1.070 470 V CB -0.912 30.863 31.823 -0.079 0.000 0.664 470 V HN 0.220 nan 8.190 nan 0.000 0.461 471 D N 1.083 121.562 120.400 0.131 0.000 2.088 471 D HA -0.217 4.424 4.640 0.001 0.000 0.196 471 D C 1.992 178.398 176.300 0.176 0.000 0.983 471 D CA 1.712 55.820 54.000 0.180 0.000 0.846 471 D CB -0.338 40.541 40.800 0.131 0.000 0.992 471 D HN 0.653 nan 8.370 nan 0.000 0.448 472 Q N -0.740 119.125 119.800 0.108 0.000 2.319 472 Q HA 0.171 4.512 4.340 0.001 0.000 0.217 472 Q C 1.049 177.096 176.000 0.078 0.000 0.924 472 Q CA 0.490 56.336 55.803 0.071 0.000 0.964 472 Q CB 0.013 28.781 28.738 0.050 0.000 1.025 472 Q HN 0.325 nan 8.270 nan 0.000 0.465 473 G N 0.738 109.613 108.800 0.126 0.000 2.828 473 G HA2 -0.112 3.849 3.960 0.001 0.000 0.201 473 G HA3 -0.112 3.849 3.960 0.001 0.000 0.201 473 G C 0.951 175.962 174.900 0.184 0.000 1.102 473 G CA 0.244 45.414 45.100 0.117 0.000 0.815 473 G HN 0.527 nan 8.290 nan 0.000 0.590 474 Y N 0.807 121.146 120.300 0.066 0.000 2.478 474 Y HA 0.459 5.010 4.550 0.002 0.000 0.261 474 Y C 1.909 177.979 175.900 0.282 0.000 1.127 474 Y CA -0.310 57.910 58.100 0.200 0.000 1.288 474 Y CB -0.298 38.239 38.460 0.128 0.000 1.084 474 Y HN 0.045 nan 8.280 nan 0.000 0.530 475 L N 1.193 122.286 121.223 -0.216 0.000 2.191 475 L HA -0.165 4.176 4.340 0.001 0.000 0.212 475 L C 1.623 178.393 176.870 -0.167 0.000 1.103 475 L CA 2.074 56.717 54.840 -0.329 0.000 0.769 475 L CB -0.473 41.485 42.059 -0.169 0.000 0.908 475 L HN 0.417 nan 8.230 nan 0.000 0.438 476 D N -1.251 119.125 120.400 -0.040 0.000 2.323 476 D HA -0.232 4.409 4.640 0.001 0.000 0.209 476 D C 1.913 178.224 176.300 0.018 0.000 0.973 476 D CA 0.332 54.322 54.000 -0.018 0.000 0.874 476 D CB -0.316 40.490 40.800 0.009 0.000 0.930 476 D HN 0.373 nan 8.370 nan 0.000 0.521 477 F N 1.024 120.926 119.950 -0.082 0.000 2.234 477 F HA 0.174 4.702 4.527 0.002 0.000 0.296 477 F C 1.634 177.389 175.800 -0.075 0.000 1.089 477 F CA 0.605 58.578 58.000 -0.046 0.000 1.343 477 F CB -0.272 38.743 39.000 0.025 0.000 1.040 477 F HN -0.073 nan 8.300 nan 0.000 0.498 478 L N 0.575 121.413 121.223 -0.641 0.000 2.017 478 L HA -0.200 4.141 4.340 0.001 0.000 0.208 478 L C 1.948 178.580 176.870 -0.395 0.000 1.073 478 L CA 1.531 55.946 54.840 -0.709 0.000 0.745 478 L CB -0.808 40.934 42.059 -0.527 0.000 0.894 478 L HN 0.102 nan 8.230 nan 0.000 0.432 479 D N -0.686 119.562 120.400 -0.253 0.000 2.411 479 D HA -0.138 4.503 4.640 0.001 0.000 0.226 479 D C 1.907 178.128 176.300 -0.131 0.000 0.988 479 D CA 1.634 55.539 54.000 -0.158 0.000 0.938 479 D CB 0.124 40.860 40.800 -0.106 0.000 0.883 479 D HN 0.505 nan 8.370 nan 0.000 0.525 480 T N -1.877 112.583 114.554 -0.158 0.000 3.037 480 T HA 0.032 4.383 4.350 0.001 0.000 0.252 480 T C 1.582 176.215 174.700 -0.112 0.000 1.073 480 T CA -0.220 61.820 62.100 -0.100 0.000 1.091 480 T CB -0.260 68.582 68.868 -0.043 0.000 0.935 480 T HN 0.179 nan 8.240 nan 0.000 0.488 481 L N 0.060 121.173 121.223 -0.183 0.000 2.865 481 L HA 0.643 4.984 4.340 0.001 0.000 0.233 481 L C 0.220 177.017 176.870 -0.121 0.000 1.320 481 L CA -0.919 53.832 54.840 -0.147 0.000 1.225 481 L CB -0.334 41.612 42.059 -0.188 0.000 1.542 481 L HN 0.067 nan 8.230 nan 0.000 0.432 482 R N 0.000 120.444 120.500 -0.093 0.000 2.786 482 R HA 0.000 4.341 4.340 0.001 0.000 0.208 482 R CA 0.000 56.056 56.100 -0.073 0.000 0.921 482 R CB 0.000 30.252 30.300 -0.080 0.000 0.687 482 R HN 0.000 nan 8.270 nan 0.000 0.535