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 2r03_1_A DATA FIRST_RESID 2 DATA SEQUENCE ATFISVQLKK TSEVDLAKPL VKFIQQTYPS GGEEQAQYCR AAEELSKLRR DATA SEQUENCE AAVGRPLDKH EGALETLLRY YDQICSIEPK FPFSENQICL TFTWKDAFDK DATA SEQUENCE GSLFGGSVKL ALASLGYEKS CVLFNCAALA SQIAAEQNLD NDEGLKIAAK DATA SEQUENCE HYQFASGAFL HIKETVLSAL SREPTVDISP DTVGTLSLIM LAQAQEVFFL DATA SEQUENCE KATRDKMKDA IIAKLANQAA DYFGDAFKQC QYKDTLPKEV FPVLAAKHCI DATA SEQUENCE MQANAEYHQS ILAKQQYYFG EEIARLQHAA ELIKTVASRY DEYVNVKDFS DATA SEQUENCE DKINRALAAA KKDNDFIYHD RVPDLKDLDP IGKATLVKST PVNVPISQKF DATA SEQUENCE TDLFEKMVPV SVQQSLAAYN QRKADLVNRS IAQMREATTL ANGVLASLNL DATA SEQUENCE PAAIEDVSGD TVPQSILTKS RSVIEQGGIQ TVDQLIKELP ELLQRNREIL DATA SEQUENCE DESLRLLDEE EATDNDLRAK FKERWQRTPS NELYKPLRAE GTNFRTVLDK DATA SEQUENCE AVQADGQVKE CYQSHRDTIV LLCKPEPELN AAIPSANPAK TMQGSEVVNV DATA SEQUENCE LKSLLSNLDE VKKEREGLEN DLKSVNFDMT SKFLTALAQD GVINEEALSV DATA SEQUENCE TELDRVYGGL TTKVQESLKK QEGLLKNIQV SHQEFSKMKQ SNNEANLREE DATA SEQUENCE VLKNLATAYD NFVELVANLK EGTKFYNELT EILVRFQNKC SDIVFAR 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.694 177.584 0.184 0.000 1.274 2 A CA 0.000 52.114 52.037 0.129 0.000 0.836 2 A CB 0.000 19.122 19.000 0.203 0.000 0.831 3 T N 2.197 116.786 114.554 0.058 0.000 2.767 3 T HA 0.744 5.094 4.350 -0.000 0.000 0.284 3 T C -1.135 173.532 174.700 -0.056 0.000 0.973 3 T CA -0.005 62.148 62.100 0.089 0.000 0.996 3 T CB -0.257 68.648 68.868 0.062 0.000 0.927 3 T HN 0.445 nan 8.240 nan 0.000 0.456 4 F N 3.559 123.572 119.950 0.104 0.000 2.563 4 F HA 0.589 5.116 4.527 -0.001 0.000 0.316 4 F C 0.308 176.184 175.800 0.127 0.000 1.076 4 F CA -1.214 56.858 58.000 0.121 0.000 0.921 4 F CB 1.517 40.643 39.000 0.211 0.000 1.209 4 F HN 0.420 nan 8.300 nan 0.000 0.462 5 I N 2.243 122.985 120.570 0.287 0.000 2.529 5 I HA 0.277 4.447 4.170 -0.000 0.000 0.284 5 I C 0.006 176.290 176.117 0.279 0.000 1.082 5 I CA 0.157 61.586 61.300 0.215 0.000 1.406 5 I CB 0.674 38.756 38.000 0.136 0.000 1.405 5 I HN 0.615 nan 8.210 nan 0.000 0.548 6 S N 5.087 120.928 115.700 0.235 0.000 2.709 6 S HA 0.780 5.250 4.470 -0.000 0.000 0.302 6 S C -0.690 174.040 174.600 0.216 0.000 1.127 6 S CA -0.893 57.449 58.200 0.237 0.000 0.905 6 S CB 2.137 65.462 63.200 0.209 0.000 1.151 6 S HN 0.268 nan 8.310 nan 0.000 0.510 7 V N 1.532 121.587 119.914 0.235 0.000 2.555 7 V HA 0.468 4.588 4.120 -0.000 0.000 0.302 7 V C -0.398 175.861 176.094 0.275 0.000 1.038 7 V CA -0.760 61.718 62.300 0.295 0.000 0.887 7 V CB 1.714 33.722 31.823 0.309 0.000 0.991 7 V HN 0.805 nan 8.190 nan 0.000 0.434 8 Q N 2.638 122.629 119.800 0.319 0.000 2.299 8 Q HA 0.471 4.811 4.340 -0.000 0.000 0.246 8 Q C -0.299 175.872 176.000 0.285 0.000 0.935 8 Q CA -0.317 55.639 55.803 0.255 0.000 0.887 8 Q CB 1.562 30.431 28.738 0.220 0.000 1.223 8 Q HN 0.583 nan 8.270 nan 0.000 0.439 9 L N 1.757 123.116 121.223 0.227 0.000 2.499 9 L HA 0.006 4.346 4.340 -0.000 0.000 0.281 9 L C 0.759 177.755 176.870 0.210 0.000 1.234 9 L CA 0.534 55.522 54.840 0.246 0.000 0.839 9 L CB -0.137 42.035 42.059 0.188 0.000 1.104 9 L HN 0.314 nan 8.230 nan 0.000 0.500 10 K N 1.797 122.333 120.400 0.226 0.000 2.185 10 K HA 0.318 4.637 4.320 -0.000 0.000 0.271 10 K C -0.645 176.111 176.600 0.259 0.000 1.013 10 K CA -0.585 55.808 56.287 0.178 0.000 0.943 10 K CB 0.958 33.538 32.500 0.133 0.000 0.998 10 K HN 0.395 nan 8.250 nan 0.000 0.468 11 K N 1.171 121.661 120.400 0.150 0.000 2.138 11 K HA 0.322 4.642 4.320 -0.000 0.000 0.263 11 K C -0.740 175.767 176.600 -0.155 0.000 0.965 11 K CA -0.617 55.680 56.287 0.016 0.000 0.868 11 K CB 1.709 34.209 32.500 -0.000 0.000 1.083 11 K HN 0.506 nan 8.250 nan 0.000 0.443 12 T N -0.219 114.084 114.554 -0.417 0.000 2.876 12 T HA 0.262 4.612 4.350 -0.000 0.000 0.289 12 T C -0.309 174.167 174.700 -0.373 0.000 1.014 12 T CA -1.129 60.551 62.100 -0.699 0.000 0.986 12 T CB 1.492 69.583 68.868 -1.294 0.000 1.021 12 T HN 0.610 nan 8.240 nan 0.000 0.458 13 S N 1.615 117.146 115.700 -0.283 0.000 2.565 13 S HA 0.310 4.780 4.470 -0.000 0.000 0.276 13 S C 0.070 174.569 174.600 -0.168 0.000 1.326 13 S CA -1.047 57.050 58.200 -0.171 0.000 1.045 13 S CB 0.066 63.200 63.200 -0.110 0.000 0.918 13 S HN 0.800 nan 8.310 nan 0.000 0.505 14 E N 1.028 121.157 120.200 -0.118 0.000 2.338 14 E HA 0.479 4.829 4.350 -0.000 0.000 0.272 14 E C -0.020 176.540 176.600 -0.066 0.000 1.029 14 E CA -1.117 55.228 56.400 -0.091 0.000 0.872 14 E CB 0.626 30.284 29.700 -0.070 0.000 1.015 14 E HN 0.582 nan 8.360 nan 0.000 0.417 15 V N -1.148 118.741 119.914 -0.043 0.000 3.074 15 V HA 0.355 4.475 4.120 -0.000 0.000 0.314 15 V C -0.518 175.562 176.094 -0.023 0.000 1.117 15 V CA -1.305 60.968 62.300 -0.044 0.000 1.014 15 V CB 1.962 33.740 31.823 -0.076 0.000 1.057 15 V HN 0.654 nan 8.190 nan 0.000 0.438 16 D N 1.518 121.895 120.400 -0.038 0.000 2.470 16 D HA 0.299 4.939 4.640 -0.000 0.000 0.226 16 D C 0.889 177.184 176.300 -0.009 0.000 1.196 16 D CA 0.224 54.213 54.000 -0.018 0.000 0.979 16 D CB 0.495 41.281 40.800 -0.024 0.000 1.059 16 D HN 0.640 nan 8.370 nan 0.000 0.515 17 L N 2.267 123.509 121.223 0.032 0.000 2.109 17 L HA -0.088 4.252 4.340 -0.000 0.000 0.207 17 L C 2.254 179.149 176.870 0.042 0.000 1.086 17 L CA 0.906 55.784 54.840 0.063 0.000 0.760 17 L CB -0.129 42.008 42.059 0.130 0.000 0.910 17 L HN 0.393 nan 8.230 nan 0.000 0.437 18 A N -0.238 122.611 122.820 0.049 0.000 1.972 18 A HA -0.204 4.116 4.320 -0.000 0.000 0.219 18 A C 2.178 179.791 177.584 0.047 0.000 1.169 18 A CA 1.632 53.706 52.037 0.060 0.000 0.635 18 A CB -0.165 18.873 19.000 0.063 0.000 0.810 18 A HN 0.210 nan 8.150 nan 0.000 0.446 19 K N -0.777 119.640 120.400 0.028 0.000 2.141 19 K HA 0.073 4.392 4.320 -0.000 0.000 0.202 19 K C -0.783 175.832 176.600 0.025 0.000 1.045 19 K CA 0.852 57.156 56.287 0.029 0.000 0.971 19 K CB -0.821 31.692 32.500 0.020 0.000 0.795 19 K HN 0.346 nan 8.250 nan 0.000 0.459 20 P HA -0.159 nan 4.420 nan 0.000 0.218 20 P C 1.127 178.425 177.300 -0.004 0.000 1.148 20 P CA 1.297 64.398 63.100 0.001 0.000 0.822 20 P CB 0.086 31.774 31.700 -0.019 0.000 0.784 21 L N -0.895 120.292 121.223 -0.060 0.000 2.027 21 L HA -0.096 4.244 4.340 -0.000 0.000 0.206 21 L C 2.720 179.623 176.870 0.055 0.000 1.074 21 L CA 1.095 55.829 54.840 -0.176 0.000 0.745 21 L CB -1.257 40.562 42.059 -0.401 0.000 0.898 21 L HN -0.185 nan 8.230 nan 0.000 0.433 22 V N 0.087 120.058 119.914 0.094 0.000 2.490 22 V HA -0.286 3.834 4.120 -0.000 0.000 0.250 22 V C 2.552 178.738 176.094 0.153 0.000 1.061 22 V CA 1.614 64.008 62.300 0.157 0.000 1.064 22 V CB -0.504 31.394 31.823 0.124 0.000 0.670 22 V HN 0.405 nan 8.190 nan 0.000 0.461 23 K N -0.764 119.712 120.400 0.126 0.000 1.991 23 K HA -0.237 4.083 4.320 -0.000 0.000 0.212 23 K C 2.093 178.788 176.600 0.159 0.000 1.049 23 K CA 2.211 58.570 56.287 0.120 0.000 0.932 23 K CB -0.417 32.142 32.500 0.098 0.000 0.717 23 K HN 0.448 nan 8.250 nan 0.000 0.441 24 F N 1.963 121.954 119.950 0.069 0.000 2.069 24 F HA -0.213 4.314 4.527 -0.000 0.000 0.298 24 F C 1.935 177.813 175.800 0.130 0.000 1.113 24 F CA 1.359 59.410 58.000 0.085 0.000 1.214 24 F CB -0.342 38.723 39.000 0.108 0.000 0.978 24 F HN -0.057 nan 8.300 nan 0.000 0.474 25 I N 0.421 121.122 120.570 0.219 0.000 2.113 25 I HA -0.415 3.755 4.170 -0.000 0.000 0.242 25 I C 2.486 178.655 176.117 0.086 0.000 1.064 25 I CA 2.006 63.436 61.300 0.216 0.000 1.320 25 I CB -0.770 37.497 38.000 0.446 0.000 1.028 25 I HN 0.293 nan 8.210 nan 0.000 0.406 26 Q N 0.017 119.868 119.800 0.086 0.000 2.167 26 Q HA -0.211 4.129 4.340 -0.000 0.000 0.202 26 Q C 1.805 177.796 176.000 -0.014 0.000 0.970 26 Q CA 1.082 56.920 55.803 0.060 0.000 0.855 26 Q CB -0.079 28.701 28.738 0.069 0.000 0.911 26 Q HN 0.602 nan 8.270 nan 0.000 0.438 27 Q N -0.734 119.016 119.800 -0.083 0.000 2.322 27 Q HA 0.026 4.365 4.340 -0.000 0.000 0.203 27 Q C 0.612 176.462 176.000 -0.249 0.000 0.923 27 Q CA 0.622 56.354 55.803 -0.117 0.000 0.949 27 Q CB 0.664 29.360 28.738 -0.070 0.000 1.039 27 Q HN 0.203 nan 8.270 nan 0.000 0.496 28 T N -1.961 112.383 114.554 -0.349 0.000 3.010 28 T HA 0.155 4.505 4.350 -0.000 0.000 0.253 28 T C -0.302 174.099 174.700 -0.497 0.000 0.939 28 T CA 0.046 61.817 62.100 -0.548 0.000 0.910 28 T CB 0.395 68.655 68.868 -1.013 0.000 1.226 28 T HN 0.093 nan 8.240 nan 0.000 0.508 29 Y N 1.553 121.806 120.300 -0.078 0.000 2.630 29 Y HA 0.516 5.066 4.550 -0.000 0.000 0.337 29 Y C -2.359 173.529 175.900 -0.019 0.000 1.051 29 Y CA -2.873 55.213 58.100 -0.024 0.000 1.121 29 Y CB 1.118 39.586 38.460 0.015 0.000 1.299 29 Y HN -0.155 nan 8.280 nan 0.000 0.498 30 P HA 0.052 nan 4.420 nan 0.000 0.276 30 P C -0.814 176.522 177.300 0.059 0.000 1.264 30 P CA -0.336 62.816 63.100 0.087 0.000 0.769 30 P CB 0.747 32.486 31.700 0.065 0.000 0.840 31 S N 2.216 117.945 115.700 0.048 0.000 2.506 31 S HA 0.370 4.840 4.470 -0.000 0.000 0.291 31 S C 1.296 175.909 174.600 0.021 0.000 1.230 31 S CA 0.397 58.619 58.200 0.037 0.000 1.107 31 S CB -0.549 62.673 63.200 0.036 0.000 0.942 31 S HN 0.899 nan 8.310 nan 0.000 0.502 32 G N 2.370 111.176 108.800 0.011 0.000 2.296 32 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.188 32 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.188 32 G C 0.388 175.276 174.900 -0.019 0.000 1.000 32 G CA -0.248 44.851 45.100 -0.002 0.000 0.672 32 G HN 1.258 nan 8.290 nan 0.000 0.483 33 G N -0.449 108.335 108.800 -0.027 0.000 2.535 33 G HA2 0.539 4.499 3.960 -0.000 0.000 0.303 33 G HA3 0.539 4.499 3.960 -0.000 0.000 0.303 33 G C 0.506 175.344 174.900 -0.103 0.000 1.237 33 G CA 0.575 45.639 45.100 -0.060 0.000 0.986 33 G HN 0.185 nan 8.290 nan 0.000 0.494 34 E N -0.948 119.165 120.200 -0.145 0.000 2.299 34 E HA -0.064 4.286 4.350 -0.000 0.000 0.193 34 E C 1.792 178.172 176.600 -0.366 0.000 0.998 34 E CA 0.357 56.636 56.400 -0.202 0.000 0.851 34 E CB 0.158 29.755 29.700 -0.173 0.000 0.795 34 E HN 0.651 nan 8.360 nan 0.000 0.492 35 E N 0.169 120.117 120.200 -0.420 0.000 2.516 35 E HA -0.125 4.225 4.350 -0.000 0.000 0.199 35 E C 1.682 177.951 176.600 -0.552 0.000 1.069 35 E CA 0.373 56.328 56.400 -0.741 0.000 0.876 35 E CB 0.250 29.488 29.700 -0.769 0.000 0.843 35 E HN 0.198 nan 8.360 nan 0.000 0.530 36 Q N -1.386 118.265 119.800 -0.249 0.000 2.353 36 Q HA 0.136 4.476 4.340 -0.000 0.000 0.240 36 Q C 1.640 177.605 176.000 -0.058 0.000 0.868 36 Q CA 0.541 56.318 55.803 -0.043 0.000 0.944 36 Q CB 0.347 29.102 28.738 0.028 0.000 1.104 36 Q HN 0.262 nan 8.270 nan 0.000 0.531 37 A N 0.939 123.673 122.820 -0.143 0.000 1.835 37 A HA -0.124 4.196 4.320 -0.000 0.000 0.213 37 A C 1.889 179.416 177.584 -0.096 0.000 1.210 37 A CA 1.047 53.026 52.037 -0.096 0.000 0.605 37 A CB -0.517 18.422 19.000 -0.101 0.000 0.860 37 A HN 0.362 nan 8.150 nan 0.000 0.447 38 Q N -1.292 118.386 119.800 -0.204 0.000 2.291 38 Q HA -0.124 4.216 4.340 -0.000 0.000 0.206 38 Q C 1.035 177.059 176.000 0.039 0.000 0.976 38 Q CA 1.219 56.941 55.803 -0.135 0.000 0.875 38 Q CB -0.211 28.412 28.738 -0.191 0.000 0.927 38 Q HN 0.902 nan 8.270 nan 0.000 0.450 39 Y N -2.341 117.972 120.300 0.021 0.000 2.462 39 Y HA -0.005 4.545 4.550 -0.000 0.000 0.293 39 Y C 1.722 177.753 175.900 0.219 0.000 1.195 39 Y CA -0.801 57.388 58.100 0.147 0.000 1.276 39 Y CB 0.327 38.965 38.460 0.297 0.000 1.082 39 Y HN 0.183 nan 8.280 nan 0.000 0.514 40 C N -1.153 118.288 119.300 0.235 0.000 2.800 40 C HA 0.075 4.535 4.460 -0.000 0.000 0.379 40 C C 2.400 177.462 174.990 0.121 0.000 1.304 40 C CA -0.115 59.016 59.018 0.188 0.000 1.960 40 C CB -0.291 27.529 27.740 0.134 0.000 2.599 40 C HN 0.497 nan 8.230 nan 0.000 0.578 41 R N 1.755 122.294 120.500 0.065 0.000 2.115 41 R HA -0.017 4.323 4.340 -0.000 0.000 0.230 41 R C 2.165 178.470 176.300 0.009 0.000 1.111 41 R CA 1.606 57.721 56.100 0.026 0.000 0.976 41 R CB -0.249 30.047 30.300 -0.007 0.000 0.870 41 R HN 0.515 nan 8.270 nan 0.000 0.445 42 A N 0.845 123.640 122.820 -0.042 0.000 1.943 42 A HA 0.155 4.475 4.320 -0.000 0.000 0.213 42 A C 2.267 179.902 177.584 0.085 0.000 1.181 42 A CA 0.906 52.834 52.037 -0.181 0.000 0.653 42 A CB -0.341 18.225 19.000 -0.723 0.000 0.833 42 A HN 0.314 nan 8.150 nan 0.000 0.451 43 A N -0.236 122.765 122.820 0.303 0.000 2.019 43 A HA -0.122 4.198 4.320 -0.000 0.000 0.219 43 A C 1.904 179.642 177.584 0.258 0.000 1.164 43 A CA 2.040 54.358 52.037 0.468 0.000 0.644 43 A CB -0.314 18.920 19.000 0.390 0.000 0.805 43 A HN 0.517 nan 8.150 nan 0.000 0.449 44 E N -0.284 120.019 120.200 0.171 0.000 2.122 44 E HA -0.080 4.269 4.350 -0.000 0.000 0.190 44 E C 1.913 178.578 176.600 0.108 0.000 0.977 44 E CA 1.118 57.588 56.400 0.116 0.000 0.820 44 E CB -0.162 29.587 29.700 0.081 0.000 0.770 44 E HN 0.688 nan 8.360 nan 0.000 0.462 45 E N -0.393 119.871 120.200 0.107 0.000 2.204 45 E HA -0.178 4.172 4.350 -0.000 0.000 0.194 45 E C 1.862 178.548 176.600 0.144 0.000 0.989 45 E CA 0.739 57.197 56.400 0.097 0.000 0.824 45 E CB -0.021 29.718 29.700 0.065 0.000 0.756 45 E HN 0.236 nan 8.360 nan 0.000 0.477 46 L N 0.322 121.676 121.223 0.218 0.000 2.027 46 L HA -0.122 4.218 4.340 -0.000 0.000 0.206 46 L C 2.394 179.382 176.870 0.196 0.000 1.074 46 L CA 2.131 57.137 54.840 0.276 0.000 0.745 46 L CB -0.932 41.359 42.059 0.388 0.000 0.898 46 L HN 0.044 nan 8.230 nan 0.000 0.433 47 S N -0.636 115.157 115.700 0.155 0.000 2.370 47 S HA -0.290 4.180 4.470 -0.000 0.000 0.226 47 S C 2.205 176.833 174.600 0.047 0.000 1.033 47 S CA 1.811 60.070 58.200 0.098 0.000 1.011 47 S CB -0.416 62.834 63.200 0.083 0.000 0.852 47 S HN 0.568 nan 8.310 nan 0.000 0.457 48 K N 0.105 120.535 120.400 0.050 0.000 2.009 48 K HA -0.122 4.198 4.320 -0.000 0.000 0.210 48 K C 2.204 178.802 176.600 -0.004 0.000 1.049 48 K CA 1.709 58.009 56.287 0.022 0.000 0.929 48 K CB -0.477 32.042 32.500 0.032 0.000 0.714 48 K HN 0.384 nan 8.250 nan 0.000 0.440 49 L N 1.721 122.959 121.223 0.024 0.000 2.083 49 L HA -0.142 4.198 4.340 -0.000 0.000 0.209 49 L C 2.702 179.464 176.870 -0.179 0.000 1.083 49 L CA 1.552 56.395 54.840 0.006 0.000 0.752 49 L CB -0.421 41.712 42.059 0.124 0.000 0.899 49 L HN 0.231 nan 8.230 nan 0.000 0.433 50 R N -0.726 119.594 120.500 -0.300 0.000 2.083 50 R HA -0.184 4.156 4.340 -0.000 0.000 0.237 50 R C 2.456 178.538 176.300 -0.363 0.000 1.137 50 R CA 1.644 57.331 56.100 -0.688 0.000 0.951 50 R CB -0.216 29.861 30.300 -0.371 0.000 0.851 50 R HN 0.298 nan 8.270 nan 0.000 0.434 51 R N -0.268 120.127 120.500 -0.175 0.000 2.091 51 R HA -0.109 4.231 4.340 -0.000 0.000 0.238 51 R C 2.269 178.512 176.300 -0.096 0.000 1.136 51 R CA 1.489 57.522 56.100 -0.110 0.000 0.959 51 R CB -0.322 29.942 30.300 -0.061 0.000 0.856 51 R HN 0.314 nan 8.270 nan 0.000 0.437 52 A N 0.497 123.267 122.820 -0.084 0.000 2.015 52 A HA -0.023 4.296 4.320 -0.000 0.000 0.219 52 A C 2.127 179.682 177.584 -0.049 0.000 1.163 52 A CA 1.558 53.566 52.037 -0.049 0.000 0.646 52 A CB -0.223 18.763 19.000 -0.023 0.000 0.806 52 A HN 0.406 nan 8.150 nan 0.000 0.448 53 A N -1.627 121.135 122.820 -0.098 0.000 2.044 53 A HA 0.386 4.706 4.320 -0.000 0.000 0.213 53 A C 1.738 179.316 177.584 -0.011 0.000 1.169 53 A CA 1.423 53.431 52.037 -0.049 0.000 0.724 53 A CB 0.115 19.071 19.000 -0.073 0.000 0.840 53 A HN 0.391 nan 8.150 nan 0.000 0.463 54 V N -1.990 117.888 119.914 -0.060 0.000 3.350 54 V HA 0.127 4.247 4.120 -0.000 0.000 0.246 54 V C 2.339 178.398 176.094 -0.058 0.000 1.363 54 V CA 0.741 63.031 62.300 -0.016 0.000 1.162 54 V CB -0.031 31.767 31.823 -0.041 0.000 0.947 54 V HN 0.469 nan 8.190 nan 0.000 0.454 55 G N 1.952 110.705 108.800 -0.078 0.000 2.527 55 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.219 55 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.219 55 G C 0.589 175.461 174.900 -0.048 0.000 1.117 55 G CA 0.618 45.674 45.100 -0.074 0.000 0.759 55 G HN 0.603 nan 8.290 nan 0.000 0.556 56 R N -0.793 119.691 120.500 -0.026 0.000 2.515 56 R HA 0.488 4.828 4.340 -0.000 0.000 0.278 56 R C -3.386 172.922 176.300 0.013 0.000 1.107 56 R CA -1.972 54.124 56.100 -0.008 0.000 0.945 56 R CB 0.401 30.697 30.300 -0.006 0.000 1.219 56 R HN -0.188 nan 8.270 nan 0.000 0.434 57 P HA 0.293 nan 4.420 nan 0.000 0.274 57 P C -0.676 176.646 177.300 0.036 0.000 1.470 57 P CA -0.256 62.869 63.100 0.043 0.000 1.001 57 P CB 0.569 32.301 31.700 0.054 0.000 1.332 58 L N -0.112 121.130 121.223 0.033 0.000 3.821 58 L HA 0.301 4.641 4.340 -0.000 0.000 0.188 58 L C 0.654 177.542 176.870 0.030 0.000 1.156 58 L CA -0.481 54.376 54.840 0.028 0.000 0.888 58 L CB -0.496 41.575 42.059 0.020 0.000 1.614 58 L HN 0.145 nan 8.230 nan 0.000 0.671 59 D N 1.563 121.979 120.400 0.027 0.000 2.474 59 D HA -0.069 4.571 4.640 -0.000 0.000 0.232 59 D C 0.020 176.341 176.300 0.035 0.000 1.177 59 D CA 0.998 55.016 54.000 0.030 0.000 0.876 59 D CB 0.902 41.719 40.800 0.028 0.000 1.208 59 D HN 0.151 nan 8.370 nan 0.000 0.464 60 K N 1.262 121.691 120.400 0.047 0.000 2.706 60 K HA 0.059 4.379 4.320 -0.000 0.000 0.203 60 K C -0.621 176.046 176.600 0.112 0.000 1.102 60 K CA -0.457 55.862 56.287 0.053 0.000 1.058 60 K CB 0.308 32.834 32.500 0.043 0.000 0.779 60 K HN 0.408 nan 8.250 nan 0.000 0.483 61 H N -0.873 118.171 119.070 -0.042 0.000 2.960 61 H HA 0.254 4.811 4.556 0.002 0.000 0.303 61 H C 0.211 175.502 175.328 -0.062 0.000 1.412 61 H CA -0.419 55.596 56.048 -0.054 0.000 1.227 61 H CB 1.603 31.345 29.762 -0.035 0.000 1.912 61 H HN -0.052 nan 8.280 nan 0.000 0.583 62 E N -0.241 119.591 120.200 -0.613 0.000 2.347 62 E HA -0.015 4.335 4.350 -0.000 0.000 0.196 62 E C 1.778 178.270 176.600 -0.180 0.000 1.008 62 E CA 0.857 57.008 56.400 -0.415 0.000 0.852 62 E CB -0.066 29.349 29.700 -0.476 0.000 0.783 62 E HN 0.733 nan 8.360 nan 0.000 0.505 63 G N 1.216 109.964 108.800 -0.087 0.000 2.514 63 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.217 63 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.217 63 G C 1.621 176.506 174.900 -0.025 0.000 1.198 63 G CA 0.916 46.001 45.100 -0.025 0.000 0.780 63 G HN 0.382 nan 8.290 nan 0.000 0.565 64 A N -0.192 122.616 122.820 -0.021 0.000 2.066 64 A HA 0.202 4.522 4.320 -0.000 0.000 0.218 64 A C 2.291 179.854 177.584 -0.035 0.000 1.157 64 A CA 1.542 53.571 52.037 -0.014 0.000 0.670 64 A CB -0.261 18.739 19.000 0.001 0.000 0.804 64 A HN 0.435 nan 8.150 nan 0.000 0.453 65 L N -0.208 120.961 121.223 -0.091 0.000 2.044 65 L HA -0.044 4.296 4.340 -0.000 0.000 0.205 65 L C 2.043 178.855 176.870 -0.097 0.000 1.075 65 L CA 2.075 56.837 54.840 -0.130 0.000 0.747 65 L CB -0.726 41.183 42.059 -0.250 0.000 0.903 65 L HN 0.313 nan 8.230 nan 0.000 0.435 66 E N -0.495 119.653 120.200 -0.087 0.000 2.110 66 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 66 E C 2.047 178.658 176.600 0.019 0.000 0.988 66 E CA 1.729 58.102 56.400 -0.044 0.000 0.804 66 E CB -0.458 29.220 29.700 -0.036 0.000 0.745 66 E HN 0.546 nan 8.360 nan 0.000 0.458 67 T N 1.800 116.370 114.554 0.028 0.000 2.746 67 T HA -0.092 4.258 4.350 -0.000 0.000 0.267 67 T C 2.126 176.897 174.700 0.119 0.000 1.039 67 T CA 0.650 62.791 62.100 0.069 0.000 1.142 67 T CB -0.213 68.682 68.868 0.045 0.000 0.866 67 T HN 0.080 nan 8.240 nan 0.000 0.444 68 L N 0.340 121.620 121.223 0.095 0.000 1.994 68 L HA -0.077 4.263 4.340 -0.000 0.000 0.208 68 L C 2.444 179.418 176.870 0.173 0.000 1.071 68 L CA 1.282 56.215 54.840 0.155 0.000 0.745 68 L CB -0.452 41.664 42.059 0.094 0.000 0.892 68 L HN 0.272 nan 8.230 nan 0.000 0.431 69 L N -1.054 120.214 121.223 0.075 0.000 1.989 69 L HA -0.273 4.067 4.340 -0.000 0.000 0.211 69 L C 2.749 179.679 176.870 0.100 0.000 1.071 69 L CA 1.349 56.224 54.840 0.058 0.000 0.749 69 L CB -0.685 41.348 42.059 -0.044 0.000 0.890 69 L HN 0.200 nan 8.230 nan 0.000 0.431 70 R N -0.852 119.720 120.500 0.119 0.000 2.119 70 R HA -0.273 4.067 4.340 -0.000 0.000 0.246 70 R C 2.347 178.788 176.300 0.236 0.000 1.146 70 R CA 2.361 58.575 56.100 0.189 0.000 0.962 70 R CB -0.580 29.842 30.300 0.202 0.000 0.863 70 R HN 0.395 nan 8.270 nan 0.000 0.442 71 Y N -0.544 119.825 120.300 0.114 0.000 2.220 71 Y HA -0.298 4.252 4.550 -0.000 0.000 0.291 71 Y C 2.193 178.145 175.900 0.087 0.000 1.129 71 Y CA 1.493 59.661 58.100 0.113 0.000 1.161 71 Y CB -0.233 38.293 38.460 0.110 0.000 0.997 71 Y HN 0.091 nan 8.280 nan 0.000 0.522 72 Y N 1.495 121.699 120.300 -0.161 0.000 2.128 72 Y HA -0.298 4.252 4.550 -0.000 0.000 0.284 72 Y C 2.094 177.820 175.900 -0.289 0.000 1.154 72 Y CA 2.230 60.163 58.100 -0.279 0.000 1.149 72 Y CB -0.595 37.767 38.460 -0.163 0.000 0.976 72 Y HN 0.194 nan 8.280 nan 0.000 0.505 73 D N -0.440 119.813 120.400 -0.246 0.000 2.144 73 D HA -0.178 4.462 4.640 -0.000 0.000 0.200 73 D C 2.027 178.121 176.300 -0.343 0.000 0.978 73 D CA 1.392 55.094 54.000 -0.498 0.000 0.833 73 D CB -0.306 39.936 40.800 -0.930 0.000 0.961 73 D HN 0.408 nan 8.370 nan 0.000 0.470 74 Q N 0.082 119.846 119.800 -0.061 0.000 2.123 74 Q HA -0.057 4.283 4.340 -0.000 0.000 0.199 74 Q C 2.026 178.005 176.000 -0.034 0.000 0.966 74 Q CA 0.606 56.513 55.803 0.173 0.000 0.845 74 Q CB -0.070 28.850 28.738 0.304 0.000 0.907 74 Q HN 0.136 nan 8.270 nan 0.000 0.439 75 I N -0.252 120.132 120.570 -0.310 0.000 2.142 75 I HA -0.304 3.866 4.170 -0.000 0.000 0.240 75 I C 2.123 178.035 176.117 -0.342 0.000 1.078 75 I CA 0.903 61.967 61.300 -0.393 0.000 1.343 75 I CB -1.256 36.355 38.000 -0.648 0.000 1.046 75 I HN 0.328 nan 8.210 nan 0.000 0.405 76 C N 0.347 119.370 119.300 -0.461 0.000 2.413 76 C HA -0.138 4.322 4.460 -0.000 0.000 0.277 76 C C 3.073 177.962 174.990 -0.167 0.000 1.265 76 C CA 1.122 59.915 59.018 -0.375 0.000 1.752 76 C CB -1.149 26.283 27.740 -0.512 0.000 1.998 76 C HN 0.500 nan 8.230 nan 0.000 0.489 77 S N 0.515 116.166 115.700 -0.082 0.000 2.428 77 S HA -0.032 4.438 4.470 -0.000 0.000 0.230 77 S C 1.519 176.162 174.600 0.071 0.000 1.014 77 S CA 0.975 59.209 58.200 0.057 0.000 0.957 77 S CB -0.221 63.116 63.200 0.228 0.000 0.784 77 S HN 0.520 nan 8.310 nan 0.000 0.499 78 I N 1.537 122.141 120.570 0.056 0.000 2.617 78 I HA -0.015 4.155 4.170 -0.000 0.000 0.256 78 I C 2.290 178.553 176.117 0.244 0.000 1.167 78 I CA 0.730 62.103 61.300 0.122 0.000 1.469 78 I CB -0.256 37.807 38.000 0.106 0.000 1.098 78 I HN 0.246 nan 8.210 nan 0.000 0.436 79 E N 1.197 121.479 120.200 0.138 0.000 2.070 79 E HA -0.215 4.135 4.350 -0.000 0.000 0.197 79 E C -0.693 176.037 176.600 0.217 0.000 1.004 79 E CA 1.567 58.103 56.400 0.228 0.000 0.805 79 E CB -0.665 29.048 29.700 0.022 0.000 0.744 79 E HN 0.322 nan 8.360 nan 0.000 0.451 80 P HA -0.093 nan 4.420 nan 0.000 0.233 80 P C 0.144 177.411 177.300 -0.056 0.000 1.167 80 P CA 0.815 63.925 63.100 0.016 0.000 0.770 80 P CB 0.163 31.866 31.700 0.006 0.000 0.837 81 K N 0.752 121.088 120.400 -0.106 0.000 3.323 81 K HA 0.104 4.424 4.320 -0.000 0.000 0.227 81 K C 0.971 177.305 176.600 -0.443 0.000 1.136 81 K CA -0.479 55.600 56.287 -0.346 0.000 1.540 81 K CB -1.451 30.660 32.500 -0.648 0.000 2.096 81 K HN -0.003 nan 8.250 nan 0.000 0.579 82 F N 2.661 122.362 119.950 -0.415 0.000 2.338 82 F HA -0.095 4.432 4.527 -0.000 0.000 0.423 82 F C -1.677 173.430 175.800 -1.154 0.000 0.916 82 F CA -0.917 56.506 58.000 -0.962 0.000 1.136 82 F CB -1.001 37.389 39.000 -1.016 0.000 0.872 82 F HN 0.181 nan 8.300 nan 0.000 0.538 83 P HA 0.034 nan 4.420 nan 0.000 0.264 83 P C -0.113 176.903 177.300 -0.473 0.000 1.537 83 P CA 0.506 63.274 63.100 -0.553 0.000 1.189 83 P CB -0.248 31.182 31.700 -0.451 0.000 1.687 84 F N 0.698 120.604 119.950 -0.074 0.000 2.188 84 F HA -0.132 4.395 4.527 0.000 0.000 0.289 84 F C 2.703 178.491 175.800 -0.020 0.000 1.082 84 F CA 1.251 59.236 58.000 -0.025 0.000 1.282 84 F CB -1.116 37.892 39.000 0.013 0.000 1.060 84 F HN 0.176 nan 8.300 nan 0.000 0.493 85 S N 0.032 115.836 115.700 0.172 0.000 2.378 85 S HA -0.279 4.191 4.470 -0.000 0.000 0.229 85 S C 0.854 175.477 174.600 0.038 0.000 1.052 85 S CA 1.067 59.318 58.200 0.084 0.000 1.084 85 S CB -0.915 62.316 63.200 0.051 0.000 0.950 85 S HN 0.336 nan 8.310 nan 0.000 0.440 86 E N 2.297 122.496 120.200 -0.002 0.000 2.344 86 E HA 0.304 4.654 4.350 -0.000 0.000 0.270 86 E C -1.087 175.504 176.600 -0.014 0.000 1.021 86 E CA -0.035 56.353 56.400 -0.020 0.000 0.887 86 E CB 0.244 29.913 29.700 -0.052 0.000 0.997 86 E HN 0.482 nan 8.360 nan 0.000 0.429 87 N N 3.515 122.214 118.700 -0.001 0.000 2.462 87 N HA 0.165 4.905 4.740 -0.000 0.000 0.242 87 N C -0.309 175.199 175.510 -0.003 0.000 1.010 87 N CA -0.060 52.996 53.050 0.009 0.000 0.939 87 N CB 0.948 39.445 38.487 0.017 0.000 1.127 87 N HN 0.409 nan 8.380 nan 0.000 0.509 88 Q N 1.253 121.047 119.800 -0.010 0.000 1.859 88 Q HA 0.220 4.560 4.340 -0.000 0.000 0.180 88 Q C -0.728 175.266 176.000 -0.009 0.000 0.765 88 Q CA 0.014 55.813 55.803 -0.007 0.000 0.888 88 Q CB 0.923 29.659 28.738 -0.004 0.000 1.230 88 Q HN 0.539 nan 8.270 nan 0.000 0.402 89 I N 0.960 121.524 120.570 -0.011 0.000 2.304 89 I HA 0.139 4.309 4.170 -0.000 0.000 0.291 89 I C 0.661 176.783 176.117 0.007 0.000 1.018 89 I CA -0.361 60.936 61.300 -0.005 0.000 1.260 89 I CB 1.255 39.247 38.000 -0.014 0.000 1.390 89 I HN 0.097 nan 8.210 nan 0.000 0.475 90 C N 6.765 126.056 119.300 -0.015 0.000 2.377 90 C HA 0.172 4.632 4.460 -0.000 0.000 0.341 90 C C 0.701 175.640 174.990 -0.085 0.000 1.304 90 C CA -0.338 58.657 59.018 -0.037 0.000 1.690 90 C CB -1.600 26.121 27.740 -0.032 0.000 1.808 90 C HN 0.481 nan 8.230 nan 0.000 0.592 91 L N 3.042 124.201 121.223 -0.106 0.000 2.485 91 L HA 0.226 4.566 4.340 -0.000 0.000 0.279 91 L C 0.539 177.156 176.870 -0.422 0.000 1.124 91 L CA 0.969 55.641 54.840 -0.279 0.000 0.888 91 L CB -0.154 41.754 42.059 -0.252 0.000 1.217 91 L HN 0.307 nan 8.230 nan 0.000 0.464 92 T N 3.193 117.507 114.554 -0.401 0.000 2.758 92 T HA 0.518 4.868 4.350 -0.000 0.000 0.285 92 T C -0.240 174.264 174.700 -0.327 0.000 0.981 92 T CA -0.434 61.499 62.100 -0.278 0.000 0.965 92 T CB 0.383 69.185 68.868 -0.111 0.000 0.927 92 T HN 0.171 nan 8.240 nan 0.000 0.448 93 F N 1.629 121.680 119.950 0.168 0.000 2.410 93 F HA 0.475 5.002 4.527 -0.000 0.000 0.349 93 F C 0.904 176.900 175.800 0.326 0.000 1.117 93 F CA -0.800 57.359 58.000 0.265 0.000 1.104 93 F CB 1.543 40.825 39.000 0.471 0.000 1.122 93 F HN 0.442 nan 8.300 nan 0.000 0.483 94 T N 2.527 117.243 114.554 0.271 0.000 2.791 94 T HA 0.354 4.703 4.350 -0.000 0.000 0.288 94 T C -1.179 173.503 174.700 -0.030 0.000 0.999 94 T CA -0.629 61.577 62.100 0.177 0.000 0.952 94 T CB 0.333 69.223 68.868 0.036 0.000 0.938 94 T HN 0.404 nan 8.240 nan 0.000 0.444 95 W N 1.972 123.399 121.300 0.213 0.000 2.844 95 W HA 0.571 5.230 4.660 -0.001 0.000 0.340 95 W C -0.051 176.500 176.519 0.054 0.000 1.093 95 W CA -1.024 56.372 57.345 0.085 0.000 1.212 95 W CB 1.518 30.956 29.460 -0.036 0.000 1.422 95 W HN 0.339 nan 8.180 nan 0.000 0.515 96 K N 1.272 121.806 120.400 0.224 0.000 2.164 96 K HA 0.263 4.583 4.320 -0.000 0.000 0.258 96 K C -0.672 175.957 176.600 0.047 0.000 0.951 96 K CA -1.046 55.306 56.287 0.109 0.000 0.844 96 K CB 1.487 34.021 32.500 0.056 0.000 1.099 96 K HN 0.380 nan 8.250 nan 0.000 0.435 97 D N 0.875 121.273 120.400 -0.003 0.000 2.478 97 D HA -0.066 4.574 4.640 -0.000 0.000 0.234 97 D C 0.783 176.977 176.300 -0.177 0.000 1.154 97 D CA 0.502 54.434 54.000 -0.113 0.000 0.874 97 D CB 0.937 41.705 40.800 -0.053 0.000 1.198 97 D HN 0.566 nan 8.370 nan 0.000 0.455 98 A N 2.691 125.246 122.820 -0.440 0.000 1.898 98 A HA -0.018 4.302 4.320 -0.000 0.000 0.214 98 A C 1.605 179.050 177.584 -0.233 0.000 1.183 98 A CA 0.692 52.448 52.037 -0.469 0.000 0.622 98 A CB -0.331 18.112 19.000 -0.928 0.000 0.824 98 A HN 0.671 nan 8.150 nan 0.000 0.444 99 F N -0.647 119.336 119.950 0.055 0.000 2.695 99 F HA 0.184 4.710 4.527 -0.001 0.000 0.303 99 F C 0.151 175.986 175.800 0.057 0.000 1.091 99 F CA -0.175 57.866 58.000 0.068 0.000 1.300 99 F CB 0.402 39.439 39.000 0.062 0.000 1.071 99 F HN 0.069 nan 8.300 nan 0.000 0.578 100 D N 1.350 121.842 120.400 0.154 0.000 2.772 100 D HA -0.157 4.483 4.640 -0.000 0.000 0.233 100 D C -0.219 176.161 176.300 0.134 0.000 1.143 100 D CA 0.738 54.809 54.000 0.119 0.000 0.700 100 D CB -0.617 40.252 40.800 0.115 0.000 1.076 100 D HN 0.204 nan 8.370 nan 0.000 0.430 101 K N 0.044 120.533 120.400 0.149 0.000 2.164 101 K HA 0.749 5.069 4.320 -0.000 0.000 0.258 101 K C 0.650 177.304 176.600 0.091 0.000 0.951 101 K CA -0.501 55.872 56.287 0.144 0.000 0.844 101 K CB 2.234 34.859 32.500 0.209 0.000 1.099 101 K HN 0.141 nan 8.250 nan 0.000 0.435 102 G N -0.382 108.461 108.800 0.073 0.000 2.660 102 G HA2 0.233 4.193 3.960 -0.000 0.000 0.294 102 G HA3 0.233 4.193 3.960 -0.000 0.000 0.294 102 G C -0.179 174.717 174.900 -0.008 0.000 1.369 102 G CA -0.720 44.401 45.100 0.034 0.000 0.912 102 G HN 0.388 nan 8.290 nan 0.000 0.479 103 S N -0.283 115.396 115.700 -0.036 0.000 2.906 103 S HA 0.359 4.829 4.470 -0.000 0.000 0.234 103 S C 0.299 174.812 174.600 -0.145 0.000 0.973 103 S CA -0.034 58.111 58.200 -0.091 0.000 1.036 103 S CB -0.669 62.490 63.200 -0.068 0.000 0.798 103 S HN 0.357 nan 8.310 nan 0.000 0.498 104 L N -0.116 121.031 121.223 -0.127 0.000 2.434 104 L HA 0.481 4.821 4.340 -0.000 0.000 0.260 104 L C -0.751 176.096 176.870 -0.038 0.000 0.983 104 L CA -0.814 53.948 54.840 -0.130 0.000 0.820 104 L CB 2.010 44.045 42.059 -0.040 0.000 1.361 104 L HN 0.166 nan 8.230 nan 0.000 0.410 105 F N 1.748 121.704 119.950 0.011 0.000 2.661 105 F HA 0.279 4.805 4.527 -0.000 0.000 0.356 105 F C 1.091 176.899 175.800 0.014 0.000 1.244 105 F CA -0.354 57.653 58.000 0.012 0.000 1.290 105 F CB 0.247 39.253 39.000 0.009 0.000 1.677 105 F HN 0.504 nan 8.300 nan 0.000 0.649 106 G N 0.007 108.938 108.800 0.218 0.000 2.938 106 G HA2 0.443 4.403 3.960 -0.000 0.000 0.258 106 G HA3 0.443 4.403 3.960 -0.000 0.000 0.258 106 G C 0.773 175.740 174.900 0.112 0.000 1.356 106 G CA -0.197 44.980 45.100 0.129 0.000 1.052 106 G HN 0.367 nan 8.290 nan 0.000 0.550 107 G N -1.400 107.446 108.800 0.078 0.000 2.762 107 G HA2 0.402 4.362 3.960 -0.000 0.000 0.209 107 G HA3 0.402 4.362 3.960 -0.000 0.000 0.209 107 G C 0.608 175.550 174.900 0.070 0.000 1.134 107 G CA 1.306 46.447 45.100 0.068 0.000 0.781 107 G HN 1.260 nan 8.290 nan 0.000 0.528 108 S N -1.793 113.946 115.700 0.065 0.000 2.643 108 S HA 0.688 5.158 4.470 -0.000 0.000 0.270 108 S C -2.067 172.565 174.600 0.053 0.000 1.166 108 S CA -0.478 57.757 58.200 0.059 0.000 0.815 108 S CB 1.925 65.154 63.200 0.049 0.000 1.139 108 S HN 0.558 nan 8.310 nan 0.000 0.472 109 V N 1.110 121.052 119.914 0.047 0.000 3.120 109 V HA 0.694 4.814 4.120 -0.000 0.000 0.303 109 V C -1.656 174.468 176.094 0.049 0.000 1.238 109 V CA -0.651 61.675 62.300 0.043 0.000 1.008 109 V CB 2.393 34.239 31.823 0.038 0.000 1.064 109 V HN 1.077 nan 8.190 nan 0.000 0.434 110 K N 2.933 123.365 120.400 0.053 0.000 2.395 110 K HA 0.804 5.123 4.320 -0.000 0.000 0.247 110 K C -1.885 174.765 176.600 0.083 0.000 0.973 110 K CA -0.836 55.499 56.287 0.080 0.000 0.828 110 K CB 2.393 34.933 32.500 0.068 0.000 1.272 110 K HN 0.370 nan 8.250 nan 0.000 0.439 111 L N 1.177 122.486 121.223 0.143 0.000 2.438 111 L HA 0.603 4.943 4.340 -0.000 0.000 0.270 111 L C -1.696 175.237 176.870 0.105 0.000 0.972 111 L CA -0.255 54.631 54.840 0.077 0.000 0.831 111 L CB 1.907 43.992 42.059 0.044 0.000 1.273 111 L HN 0.768 nan 8.230 nan 0.000 0.405 112 A N 5.400 128.220 122.820 -0.000 0.000 2.285 112 A HA 0.787 5.107 4.320 -0.000 0.000 0.310 112 A C -1.488 176.046 177.584 -0.082 0.000 1.266 112 A CA -0.319 51.739 52.037 0.035 0.000 0.832 112 A CB 0.604 19.625 19.000 0.034 0.000 1.163 112 A HN 0.576 nan 8.150 nan 0.000 0.499 113 L N 1.797 122.949 121.223 -0.117 0.000 2.381 113 L HA 0.685 5.025 4.340 -0.000 0.000 0.268 113 L C 0.637 177.560 176.870 0.088 0.000 0.997 113 L CA -0.045 54.714 54.840 -0.136 0.000 0.818 113 L CB 2.141 43.942 42.059 -0.430 0.000 1.310 113 L HN 0.736 nan 8.230 nan 0.000 0.416 114 A N 2.106 124.956 122.820 0.050 0.000 3.091 114 A HA 0.544 4.863 4.320 -0.000 0.000 0.264 114 A C 0.072 177.757 177.584 0.168 0.000 1.673 114 A CA 0.172 52.265 52.037 0.093 0.000 1.362 114 A CB -0.484 18.534 19.000 0.029 0.000 1.137 114 A HN 0.440 nan 8.150 nan 0.000 0.617 115 S N 1.067 116.942 115.700 0.293 0.000 2.750 115 S HA 0.328 4.798 4.470 -0.000 0.000 0.276 115 S C 0.376 175.102 174.600 0.209 0.000 1.165 115 S CA -0.554 57.777 58.200 0.219 0.000 1.047 115 S CB 0.520 63.797 63.200 0.129 0.000 1.056 115 S HN 0.474 nan 8.310 nan 0.000 0.481 116 L N 5.482 126.739 121.223 0.056 0.000 2.187 116 L HA 0.113 4.453 4.340 -0.000 0.000 0.213 116 L C 2.238 178.977 176.870 -0.220 0.000 1.100 116 L CA 2.586 57.287 54.840 -0.232 0.000 0.765 116 L CB -0.527 41.218 42.059 -0.525 0.000 0.904 116 L HN 0.872 nan 8.230 nan 0.000 0.437 117 G N -2.029 106.723 108.800 -0.080 0.000 2.408 117 G HA2 -0.350 3.609 3.960 -0.000 0.000 0.217 117 G HA3 -0.350 3.609 3.960 -0.000 0.000 0.217 117 G C 1.510 176.390 174.900 -0.034 0.000 1.150 117 G CA 0.788 45.854 45.100 -0.056 0.000 0.776 117 G HN 0.483 nan 8.290 nan 0.000 0.542 118 Y N 1.669 121.900 120.300 -0.116 0.000 2.145 118 Y HA -0.128 4.422 4.550 0.000 0.000 0.286 118 Y C 2.738 178.477 175.900 -0.268 0.000 1.145 118 Y CA 2.091 60.111 58.100 -0.133 0.000 1.148 118 Y CB -0.362 38.083 38.460 -0.026 0.000 0.981 118 Y HN 0.320 nan 8.280 nan 0.000 0.507 119 E N 1.127 121.143 120.200 -0.307 0.000 2.065 119 E HA -0.294 4.056 4.350 -0.000 0.000 0.201 119 E C 2.082 178.390 176.600 -0.487 0.000 1.016 119 E CA 2.766 58.830 56.400 -0.560 0.000 0.818 119 E CB -0.440 28.615 29.700 -1.074 0.000 0.749 119 E HN 0.656 nan 8.360 nan 0.000 0.453 120 K N -0.335 119.850 120.400 -0.359 0.000 2.148 120 K HA 0.004 4.324 4.320 -0.000 0.000 0.204 120 K C 2.259 178.827 176.600 -0.053 0.000 1.050 120 K CA 1.413 57.581 56.287 -0.198 0.000 0.942 120 K CB -0.140 32.218 32.500 -0.237 0.000 0.724 120 K HN -0.018 nan 8.250 nan 0.000 0.446 121 S N 1.486 117.081 115.700 -0.176 0.000 2.348 121 S HA -0.137 4.332 4.470 -0.000 0.000 0.221 121 S C 2.290 176.716 174.600 -0.290 0.000 1.033 121 S CA 1.337 59.440 58.200 -0.162 0.000 1.010 121 S CB -0.533 62.566 63.200 -0.168 0.000 0.891 121 S HN 0.441 nan 8.310 nan 0.000 0.442 122 C N 1.272 120.182 119.300 -0.649 0.000 2.413 122 C HA -0.033 4.427 4.460 -0.000 0.000 0.276 122 C C 2.683 177.312 174.990 -0.602 0.000 1.248 122 C CA 0.412 58.859 59.018 -0.951 0.000 1.742 122 C CB -1.407 25.003 27.740 -2.217 0.000 2.017 122 C HN 0.405 nan 8.230 nan 0.000 0.481 123 V N 0.602 120.272 119.914 -0.406 0.000 2.255 123 V HA -0.227 3.893 4.120 -0.000 0.000 0.247 123 V C 2.380 178.448 176.094 -0.043 0.000 1.051 123 V CA 2.067 64.347 62.300 -0.034 0.000 1.018 123 V CB -0.756 31.149 31.823 0.136 0.000 0.641 123 V HN 0.475 nan 8.190 nan 0.000 0.445 124 L N -0.758 120.375 121.223 -0.150 0.000 2.131 124 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 124 L C 2.091 178.834 176.870 -0.212 0.000 1.092 124 L CA 1.844 56.471 54.840 -0.355 0.000 0.759 124 L CB -0.741 40.999 42.059 -0.532 0.000 0.903 124 L HN 0.379 nan 8.230 nan 0.000 0.435 125 F N -0.049 119.768 119.950 -0.223 0.000 2.113 125 F HA -0.245 4.282 4.527 -0.000 0.000 0.297 125 F C 2.200 177.961 175.800 -0.066 0.000 1.103 125 F CA 1.686 59.634 58.000 -0.086 0.000 1.248 125 F CB -0.200 38.766 39.000 -0.057 0.000 0.999 125 F HN 0.182 nan 8.300 nan 0.000 0.475 126 N N -0.001 118.834 118.700 0.225 0.000 2.223 126 N HA -0.178 4.562 4.740 -0.000 0.000 0.185 126 N C 1.897 177.427 175.510 0.033 0.000 1.016 126 N CA 1.540 54.695 53.050 0.174 0.000 0.863 126 N CB -0.912 37.700 38.487 0.207 0.000 0.983 126 N HN 0.343 nan 8.380 nan 0.000 0.429 127 C N 0.343 119.628 119.300 -0.025 0.000 2.473 127 C HA 0.028 4.487 4.460 -0.000 0.000 0.279 127 C C 2.817 177.810 174.990 0.006 0.000 1.250 127 C CA 0.616 59.635 59.018 0.001 0.000 1.713 127 C CB -1.310 26.448 27.740 0.030 0.000 2.066 127 C HN 0.501 nan 8.230 nan 0.000 0.474 128 A N 0.881 123.526 122.820 -0.291 0.000 1.884 128 A HA -0.142 4.178 4.320 -0.000 0.000 0.219 128 A C 2.358 179.699 177.584 -0.405 0.000 1.197 128 A CA 2.850 54.473 52.037 -0.689 0.000 0.637 128 A CB -1.194 16.665 19.000 -1.903 0.000 0.827 128 A HN 0.641 nan 8.150 nan 0.000 0.450 129 A N -0.943 121.711 122.820 -0.276 0.000 1.858 129 A HA -0.020 4.300 4.320 -0.000 0.000 0.216 129 A C 2.175 179.760 177.584 0.001 0.000 1.190 129 A CA 1.768 53.786 52.037 -0.031 0.000 0.617 129 A CB -0.789 18.249 19.000 0.064 0.000 0.827 129 A HN 0.662 nan 8.150 nan 0.000 0.443 130 L N -0.104 121.109 121.223 -0.018 0.000 1.990 130 L HA -0.199 4.141 4.340 -0.000 0.000 0.213 130 L C 2.820 179.603 176.870 -0.145 0.000 1.072 130 L CA 2.380 57.189 54.840 -0.051 0.000 0.755 130 L CB -0.747 41.277 42.059 -0.059 0.000 0.889 130 L HN 0.400 nan 8.230 nan 0.000 0.432 131 A N -1.090 121.610 122.820 -0.200 0.000 1.917 131 A HA -0.306 4.013 4.320 -0.000 0.000 0.219 131 A C 2.507 179.961 177.584 -0.216 0.000 1.182 131 A CA 2.544 54.375 52.037 -0.344 0.000 0.633 131 A CB -1.244 17.672 19.000 -0.140 0.000 0.819 131 A HN 0.699 nan 8.150 nan 0.000 0.448 132 S N -0.412 115.256 115.700 -0.053 0.000 2.356 132 S HA -0.285 4.185 4.470 -0.000 0.000 0.223 132 S C 1.987 176.601 174.600 0.023 0.000 1.032 132 S CA 1.558 59.795 58.200 0.062 0.000 1.005 132 S CB -0.678 62.647 63.200 0.207 0.000 0.867 132 S HN 0.701 nan 8.310 nan 0.000 0.449 133 Q N 0.656 120.464 119.800 0.013 0.000 2.124 133 Q HA 0.039 4.379 4.340 -0.000 0.000 0.202 133 Q C 2.329 178.311 176.000 -0.030 0.000 0.977 133 Q CA 1.611 57.429 55.803 0.025 0.000 0.850 133 Q CB -0.457 28.305 28.738 0.039 0.000 0.901 133 Q HN 0.625 nan 8.270 nan 0.000 0.429 134 I N 0.723 121.229 120.570 -0.107 0.000 2.226 134 I HA -0.270 3.900 4.170 -0.000 0.000 0.245 134 I C 2.447 178.493 176.117 -0.120 0.000 1.100 134 I CA 0.977 62.215 61.300 -0.104 0.000 1.374 134 I CB -0.383 37.471 38.000 -0.244 0.000 1.057 134 I HN 0.147 nan 8.210 nan 0.000 0.413 135 A N 0.743 123.417 122.820 -0.243 0.000 1.877 135 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 135 A C 2.505 179.882 177.584 -0.345 0.000 1.186 135 A CA 1.887 53.657 52.037 -0.444 0.000 0.620 135 A CB -0.966 17.364 19.000 -1.116 0.000 0.822 135 A HN 0.424 nan 8.150 nan 0.000 0.443 136 A N -0.913 121.815 122.820 -0.154 0.000 2.125 136 A HA -0.126 4.194 4.320 -0.000 0.000 0.219 136 A C 1.872 179.435 177.584 -0.035 0.000 1.156 136 A CA 1.788 53.813 52.037 -0.020 0.000 0.671 136 A CB -0.391 18.714 19.000 0.175 0.000 0.794 136 A HN 0.656 nan 8.150 nan 0.000 0.459 137 E N -0.567 119.606 120.200 -0.044 0.000 2.318 137 E HA -0.019 4.331 4.350 -0.000 0.000 0.193 137 E C 0.216 176.794 176.600 -0.036 0.000 0.998 137 E CA -0.221 56.171 56.400 -0.014 0.000 0.859 137 E CB 0.073 29.770 29.700 -0.005 0.000 0.812 137 E HN 0.490 nan 8.360 nan 0.000 0.492 138 Q N 1.077 120.831 119.800 -0.076 0.000 2.369 138 Q HA -0.073 4.267 4.340 -0.000 0.000 0.295 138 Q C -0.133 175.833 176.000 -0.057 0.000 1.075 138 Q CA 0.276 56.035 55.803 -0.073 0.000 0.941 138 Q CB 0.178 28.849 28.738 -0.111 0.000 1.260 138 Q HN 0.079 nan 8.270 nan 0.000 0.417 139 N N 1.918 120.593 118.700 -0.040 0.000 2.401 139 N HA 0.024 4.764 4.740 -0.000 0.000 0.255 139 N C -0.079 175.414 175.510 -0.029 0.000 1.110 139 N CA -0.124 52.911 53.050 -0.024 0.000 0.949 139 N CB 0.355 38.830 38.487 -0.020 0.000 1.110 139 N HN 0.314 nan 8.380 nan 0.000 0.490 140 L N 2.152 123.368 121.223 -0.011 0.000 2.591 140 L HA 0.172 4.512 4.340 -0.000 0.000 0.228 140 L C 0.515 177.377 176.870 -0.012 0.000 1.133 140 L CA 0.650 55.484 54.840 -0.011 0.000 0.880 140 L CB -0.459 41.619 42.059 0.032 0.000 1.033 140 L HN 0.534 nan 8.230 nan 0.000 0.450 141 D N -0.002 120.393 120.400 -0.008 0.000 2.400 141 D HA 0.068 4.708 4.640 -0.000 0.000 0.243 141 D C 0.165 176.450 176.300 -0.025 0.000 1.184 141 D CA 0.281 54.272 54.000 -0.015 0.000 0.853 141 D CB -0.165 40.632 40.800 -0.005 0.000 0.944 141 D HN 0.265 nan 8.370 nan 0.000 0.501 142 N N -0.246 118.433 118.700 -0.035 0.000 2.431 142 N HA 0.033 4.773 4.740 -0.000 0.000 0.275 142 N C 0.077 175.556 175.510 -0.052 0.000 1.091 142 N CA -0.418 52.609 53.050 -0.038 0.000 0.922 142 N CB 1.730 40.197 38.487 -0.033 0.000 1.666 142 N HN -0.400 nan 8.380 nan 0.000 0.484 143 D N 0.923 121.293 120.400 -0.050 0.000 2.144 143 D HA -0.121 4.519 4.640 -0.000 0.000 0.199 143 D C 0.865 177.124 176.300 -0.069 0.000 0.984 143 D CA 1.092 55.055 54.000 -0.061 0.000 0.834 143 D CB 0.320 41.091 40.800 -0.048 0.000 0.955 143 D HN 0.629 nan 8.370 nan 0.000 0.465 144 E N 0.284 120.450 120.200 -0.056 0.000 2.204 144 E HA -0.073 4.277 4.350 -0.000 0.000 0.194 144 E C 2.036 178.595 176.600 -0.069 0.000 0.989 144 E CA 0.553 56.918 56.400 -0.058 0.000 0.824 144 E CB -0.038 29.638 29.700 -0.040 0.000 0.756 144 E HN 0.267 nan 8.360 nan 0.000 0.477 145 G N 1.384 110.144 108.800 -0.066 0.000 2.414 145 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.215 145 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.215 145 G C 1.708 176.546 174.900 -0.104 0.000 1.188 145 G CA 0.505 45.561 45.100 -0.074 0.000 0.783 145 G HN 0.140 nan 8.290 nan 0.000 0.537 146 L N 0.393 121.548 121.223 -0.113 0.000 1.990 146 L HA -0.148 4.192 4.340 -0.000 0.000 0.213 146 L C 2.803 179.557 176.870 -0.194 0.000 1.072 146 L CA 1.978 56.724 54.840 -0.158 0.000 0.755 146 L CB -0.415 41.535 42.059 -0.181 0.000 0.889 146 L HN 0.203 nan 8.230 nan 0.000 0.432 147 K N 0.544 120.843 120.400 -0.169 0.000 2.097 147 K HA -0.150 4.170 4.320 -0.000 0.000 0.205 147 K C 2.106 178.608 176.600 -0.164 0.000 1.050 147 K CA 1.346 57.536 56.287 -0.160 0.000 0.938 147 K CB -0.048 32.383 32.500 -0.114 0.000 0.718 147 K HN 0.253 nan 8.250 nan 0.000 0.442 148 I N 0.629 121.103 120.570 -0.160 0.000 2.353 148 I HA -0.173 3.997 4.170 -0.000 0.000 0.248 148 I C 2.342 178.322 176.117 -0.230 0.000 1.119 148 I CA 0.851 62.026 61.300 -0.208 0.000 1.417 148 I CB -0.140 37.789 38.000 -0.118 0.000 1.078 148 I HN 0.213 nan 8.210 nan 0.000 0.421 149 A N 0.596 123.302 122.820 -0.190 0.000 1.929 149 A HA -0.053 4.267 4.320 -0.000 0.000 0.216 149 A C 2.501 179.985 177.584 -0.168 0.000 1.176 149 A CA 1.507 53.383 52.037 -0.268 0.000 0.628 149 A CB -0.641 18.216 19.000 -0.238 0.000 0.816 149 A HN 0.393 nan 8.150 nan 0.000 0.444 150 A N 0.041 122.816 122.820 -0.075 0.000 1.930 150 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 150 A C 2.120 179.755 177.584 0.084 0.000 1.175 150 A CA 1.892 53.964 52.037 0.060 0.000 0.627 150 A CB -0.372 18.572 19.000 -0.094 0.000 0.815 150 A HN 0.577 nan 8.150 nan 0.000 0.443 151 K N -1.510 118.856 120.400 -0.056 0.000 2.076 151 K HA -0.166 4.154 4.320 -0.000 0.000 0.204 151 K C 1.904 178.470 176.600 -0.056 0.000 1.051 151 K CA 1.252 57.488 56.287 -0.085 0.000 0.949 151 K CB -0.312 32.058 32.500 -0.217 0.000 0.726 151 K HN 0.515 nan 8.250 nan 0.000 0.443 152 H N -0.443 118.576 119.070 -0.085 0.000 2.389 152 H HA -0.088 4.467 4.556 -0.001 0.000 0.299 152 H C 1.800 177.122 175.328 -0.009 0.000 1.081 152 H CA 1.433 57.417 56.048 -0.107 0.000 1.345 152 H CB -0.396 29.216 29.762 -0.251 0.000 1.393 152 H HN 0.341 nan 8.280 nan 0.000 0.520 153 Y N 1.242 121.637 120.300 0.158 0.000 2.242 153 Y HA -0.197 4.353 4.550 -0.000 0.000 0.291 153 Y C 2.729 178.676 175.900 0.079 0.000 1.137 153 Y CA 0.772 58.938 58.100 0.110 0.000 1.181 153 Y CB 0.112 38.628 38.460 0.093 0.000 0.989 153 Y HN 0.220 nan 8.280 nan 0.000 0.527 154 Q N -0.863 119.081 119.800 0.239 0.000 2.172 154 Q HA -0.158 4.181 4.340 -0.000 0.000 0.200 154 Q C 1.948 178.000 176.000 0.086 0.000 0.964 154 Q CA 1.325 57.208 55.803 0.132 0.000 0.855 154 Q CB -0.261 28.549 28.738 0.120 0.000 0.918 154 Q HN 0.525 nan 8.270 nan 0.000 0.444 155 F N 1.407 121.355 119.950 -0.004 0.000 2.051 155 F HA -0.178 4.349 4.527 0.000 0.000 0.296 155 F C 2.204 177.922 175.800 -0.135 0.000 1.122 155 F CA 1.485 59.446 58.000 -0.065 0.000 1.201 155 F CB -0.447 38.528 39.000 -0.042 0.000 0.978 155 F HN -0.005 nan 8.300 nan 0.000 0.472 156 A N -0.471 122.311 122.820 -0.063 0.000 1.917 156 A HA -0.277 4.043 4.320 -0.000 0.000 0.219 156 A C 2.368 179.733 177.584 -0.363 0.000 1.182 156 A CA 2.290 54.110 52.037 -0.362 0.000 0.633 156 A CB -1.582 17.382 19.000 -0.059 0.000 0.819 156 A HN 0.544 nan 8.150 nan 0.000 0.448 157 S N -0.815 114.836 115.700 -0.083 0.000 2.368 157 S HA 0.000 4.470 4.470 -0.000 0.000 0.224 157 S C 2.018 176.562 174.600 -0.094 0.000 1.029 157 S CA 1.723 59.922 58.200 -0.002 0.000 0.988 157 S CB -0.653 62.544 63.200 -0.006 0.000 0.838 157 S HN 0.693 nan 8.310 nan 0.000 0.462 158 G N 0.466 109.144 108.800 -0.203 0.000 2.403 158 G HA2 0.116 4.076 3.960 -0.000 0.000 0.216 158 G HA3 0.116 4.076 3.960 -0.000 0.000 0.216 158 G C 1.660 176.370 174.900 -0.317 0.000 1.154 158 G CA 0.787 45.758 45.100 -0.214 0.000 0.784 158 G HN 0.679 nan 8.290 nan 0.000 0.538 159 A N 0.725 123.166 122.820 -0.631 0.000 1.855 159 A HA 0.133 4.453 4.320 -0.000 0.000 0.215 159 A C 2.185 179.542 177.584 -0.378 0.000 1.191 159 A CA 1.181 52.785 52.037 -0.722 0.000 0.613 159 A CB -0.668 17.605 19.000 -1.211 0.000 0.829 159 A HN 0.342 nan 8.150 nan 0.000 0.442 160 F N -0.849 118.941 119.950 -0.266 0.000 2.161 160 F HA -0.194 4.332 4.527 -0.001 0.000 0.300 160 F C 2.135 177.881 175.800 -0.089 0.000 1.089 160 F CA 1.080 58.985 58.000 -0.157 0.000 1.282 160 F CB -0.149 38.761 39.000 -0.150 0.000 1.010 160 F HN 0.288 nan 8.300 nan 0.000 0.485 161 L N -0.758 120.516 121.223 0.085 0.000 2.179 161 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 161 L C 2.450 179.339 176.870 0.032 0.000 1.096 161 L CA 1.545 56.410 54.840 0.042 0.000 0.779 161 L CB -0.836 41.227 42.059 0.008 0.000 0.922 161 L HN 0.148 nan 8.230 nan 0.000 0.443 162 H N -0.244 118.782 119.070 -0.073 0.000 2.389 162 H HA -0.087 4.469 4.556 -0.000 0.000 0.299 162 H C 2.186 177.490 175.328 -0.040 0.000 1.081 162 H CA 2.047 58.054 56.048 -0.069 0.000 1.345 162 H CB 0.194 29.887 29.762 -0.116 0.000 1.393 162 H HN 0.403 nan 8.280 nan 0.000 0.520 163 I N 0.903 121.526 120.570 0.088 0.000 2.264 163 I HA -0.266 3.904 4.170 -0.000 0.000 0.248 163 I C 2.790 178.920 176.117 0.021 0.000 1.111 163 I CA 1.172 62.512 61.300 0.066 0.000 1.382 163 I CB -0.280 37.800 38.000 0.135 0.000 1.060 163 I HN 0.164 nan 8.210 nan 0.000 0.418 164 K N 1.042 121.456 120.400 0.023 0.000 2.147 164 K HA -0.174 4.146 4.320 -0.000 0.000 0.205 164 K C 1.407 177.984 176.600 -0.038 0.000 1.049 164 K CA 1.328 57.616 56.287 0.002 0.000 0.936 164 K CB 0.141 32.645 32.500 0.007 0.000 0.722 164 K HN 0.347 nan 8.250 nan 0.000 0.446 165 E N -0.609 119.538 120.200 -0.088 0.000 2.474 165 E HA 0.023 4.373 4.350 -0.000 0.000 0.195 165 E C 0.950 177.459 176.600 -0.152 0.000 1.039 165 E CA 0.363 56.693 56.400 -0.118 0.000 0.881 165 E CB 0.981 30.597 29.700 -0.139 0.000 0.970 165 E HN 0.246 nan 8.360 nan 0.000 0.486 166 T N 0.476 114.938 114.554 -0.154 0.000 2.999 166 T HA 0.000 4.350 4.350 -0.000 0.000 0.247 166 T C 2.195 176.864 174.700 -0.053 0.000 1.012 166 T CA 0.735 62.758 62.100 -0.129 0.000 1.048 166 T CB 0.177 68.953 68.868 -0.153 0.000 1.020 166 T HN 0.060 nan 8.240 nan 0.000 0.478 167 V N 2.164 122.059 119.914 -0.031 0.000 2.215 167 V HA -0.208 3.912 4.120 -0.000 0.000 0.249 167 V C 2.376 178.471 176.094 0.002 0.000 1.054 167 V CA 1.731 64.029 62.300 -0.004 0.000 1.012 167 V CB -1.522 30.305 31.823 0.007 0.000 0.639 167 V HN 0.369 nan 8.190 nan 0.000 0.448 168 L N 0.045 121.265 121.223 -0.005 0.000 2.127 168 L HA -0.152 4.187 4.340 -0.000 0.000 0.211 168 L C 2.824 179.691 176.870 -0.005 0.000 1.089 168 L CA 1.907 56.745 54.840 -0.003 0.000 0.757 168 L CB -0.729 41.325 42.059 -0.008 0.000 0.899 168 L HN 0.410 nan 8.230 nan 0.000 0.434 169 S N -0.266 115.427 115.700 -0.012 0.000 2.335 169 S HA -0.121 4.348 4.470 -0.000 0.000 0.216 169 S C 2.142 176.741 174.600 -0.002 0.000 1.032 169 S CA 1.211 59.405 58.200 -0.011 0.000 1.000 169 S CB -0.208 62.980 63.200 -0.020 0.000 0.928 169 S HN 0.480 nan 8.310 nan 0.000 0.434 170 A N 1.368 124.187 122.820 -0.001 0.000 1.834 170 A HA -0.001 4.319 4.320 -0.000 0.000 0.216 170 A C 1.194 178.792 177.584 0.024 0.000 1.203 170 A CA 0.987 53.029 52.037 0.008 0.000 0.621 170 A CB -1.012 17.989 19.000 0.003 0.000 0.841 170 A HN 0.510 nan 8.150 nan 0.000 0.446 171 L N 1.030 122.276 121.223 0.038 0.000 2.562 171 L HA 0.147 4.487 4.340 -0.000 0.000 0.271 171 L C 0.531 177.410 176.870 0.015 0.000 1.167 171 L CA 0.114 54.983 54.840 0.048 0.000 0.917 171 L CB 0.698 42.811 42.059 0.091 0.000 1.187 171 L HN 0.229 nan 8.230 nan 0.000 0.482 172 S N 6.136 121.836 115.700 0.001 0.000 2.738 172 S HA 0.409 4.878 4.470 -0.000 0.000 0.227 172 S C 0.007 174.594 174.600 -0.022 0.000 1.311 172 S CA -0.610 57.586 58.200 -0.007 0.000 1.249 172 S CB -0.620 62.579 63.200 -0.003 0.000 1.030 172 S HN 0.716 nan 8.310 nan 0.000 0.512 173 R N 0.412 120.895 120.500 -0.027 0.000 3.142 173 R HA 0.360 4.699 4.340 -0.000 0.000 0.260 173 R C -1.223 175.063 176.300 -0.023 0.000 1.129 173 R CA -0.763 55.315 56.100 -0.037 0.000 0.976 173 R CB 0.481 30.738 30.300 -0.071 0.000 1.396 173 R HN 0.378 nan 8.270 nan 0.000 0.434 174 E N 2.327 122.512 120.200 -0.024 0.000 2.156 174 E HA 0.374 4.724 4.350 -0.000 0.000 0.279 174 E C -2.199 174.400 176.600 -0.001 0.000 0.965 174 E CA -1.938 54.455 56.400 -0.011 0.000 0.789 174 E CB 1.422 31.115 29.700 -0.012 0.000 1.098 174 E HN 0.115 nan 8.360 nan 0.000 0.397 175 P HA 0.066 nan 4.420 nan 0.000 0.274 175 P C -0.659 176.664 177.300 0.038 0.000 1.237 175 P CA -0.486 62.648 63.100 0.057 0.000 0.793 175 P CB 0.529 32.264 31.700 0.057 0.000 0.977 176 T N -2.024 112.562 114.554 0.053 0.000 2.855 176 T HA 0.028 4.377 4.350 -0.000 0.000 0.314 176 T C 1.457 176.154 174.700 -0.006 0.000 1.077 176 T CA -0.577 61.533 62.100 0.018 0.000 1.095 176 T CB -0.152 68.719 68.868 0.006 0.000 0.987 176 T HN 0.082 nan 8.240 nan 0.000 0.546 177 V N 2.126 122.044 119.914 0.008 0.000 2.380 177 V HA -0.221 3.899 4.120 -0.000 0.000 0.251 177 V C 2.659 178.788 176.094 0.060 0.000 1.063 177 V CA 2.319 64.644 62.300 0.041 0.000 1.055 177 V CB -1.127 30.742 31.823 0.077 0.000 0.657 177 V HN 1.066 nan 8.190 nan 0.000 0.455 178 D N 1.625 121.998 120.400 -0.045 0.000 2.117 178 D HA -0.193 4.447 4.640 -0.000 0.000 0.198 178 D C 1.696 177.951 176.300 -0.074 0.000 0.982 178 D CA 1.853 55.769 54.000 -0.141 0.000 0.828 178 D CB -0.623 39.685 40.800 -0.819 0.000 0.967 178 D HN 0.637 nan 8.370 nan 0.000 0.464 179 I N -1.854 118.617 120.570 -0.165 0.000 3.806 179 I HA 0.221 4.391 4.170 -0.000 0.000 0.321 179 I C 0.495 176.622 176.117 0.017 0.000 1.315 179 I CA -0.580 60.688 61.300 -0.053 0.000 1.148 179 I CB -0.027 37.874 38.000 -0.164 0.000 1.028 179 I HN -0.101 nan 8.210 nan 0.000 0.415 180 S N 2.173 117.890 115.700 0.027 0.000 2.528 180 S HA 0.333 4.803 4.470 -0.000 0.000 0.277 180 S C -1.122 173.497 174.600 0.032 0.000 1.297 180 S CA -1.010 57.207 58.200 0.028 0.000 1.052 180 S CB 0.896 64.111 63.200 0.025 0.000 0.917 180 S HN 0.038 nan 8.310 nan 0.000 0.492 181 P HA -0.217 nan 4.420 nan 0.000 0.222 181 P C 0.800 178.104 177.300 0.007 0.000 1.157 181 P CA 1.742 64.849 63.100 0.012 0.000 0.905 181 P CB 0.028 31.729 31.700 0.001 0.000 0.792 182 D N -1.845 118.557 120.400 0.004 0.000 2.149 182 D HA -0.075 4.565 4.640 -0.000 0.000 0.201 182 D C 1.800 178.095 176.300 -0.010 0.000 0.972 182 D CA 1.353 55.350 54.000 -0.005 0.000 0.835 182 D CB -0.637 40.159 40.800 -0.008 0.000 0.966 182 D HN 0.217 nan 8.370 nan 0.000 0.476 183 T N 1.041 115.602 114.554 0.011 0.000 2.674 183 T HA -0.110 4.240 4.350 -0.000 0.000 0.265 183 T C 2.142 176.826 174.700 -0.026 0.000 1.039 183 T CA 0.569 62.682 62.100 0.021 0.000 1.150 183 T CB -0.460 68.479 68.868 0.118 0.000 0.864 183 T HN -0.043 nan 8.240 nan 0.000 0.427 184 V N 1.196 121.108 119.914 -0.002 0.000 2.759 184 V HA 0.016 4.136 4.120 -0.000 0.000 0.256 184 V C 2.464 178.515 176.094 -0.071 0.000 1.080 184 V CA 1.829 64.092 62.300 -0.061 0.000 1.101 184 V CB -0.783 31.093 31.823 0.088 0.000 0.698 184 V HN 0.629 nan 8.190 nan 0.000 0.477 185 G N -1.351 107.427 108.800 -0.036 0.000 2.430 185 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.216 185 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.216 185 G C 1.575 176.443 174.900 -0.055 0.000 1.146 185 G CA 1.133 46.215 45.100 -0.031 0.000 0.793 185 G HN 0.487 nan 8.290 nan 0.000 0.537 186 T N 1.426 115.937 114.554 -0.071 0.000 2.812 186 T HA 0.038 4.388 4.350 -0.000 0.000 0.264 186 T C 2.417 177.047 174.700 -0.116 0.000 1.042 186 T CA 0.514 62.567 62.100 -0.078 0.000 1.140 186 T CB -0.125 68.699 68.868 -0.073 0.000 0.870 186 T HN 0.122 nan 8.240 nan 0.000 0.445 187 L N 1.045 122.146 121.223 -0.203 0.000 2.046 187 L HA -0.097 4.243 4.340 -0.000 0.000 0.208 187 L C 2.881 179.663 176.870 -0.146 0.000 1.077 187 L CA 1.106 55.759 54.840 -0.312 0.000 0.747 187 L CB -0.626 40.949 42.059 -0.807 0.000 0.896 187 L HN 0.280 nan 8.230 nan 0.000 0.432 188 S N 0.104 115.762 115.700 -0.069 0.000 2.387 188 S HA -0.214 4.255 4.470 -0.000 0.000 0.230 188 S C 1.897 176.469 174.600 -0.047 0.000 1.035 188 S CA 1.516 59.751 58.200 0.058 0.000 1.014 188 S CB -0.190 63.039 63.200 0.048 0.000 0.836 188 S HN 0.302 nan 8.310 nan 0.000 0.466 189 L N 1.093 122.260 121.223 -0.093 0.000 2.131 189 L HA 0.307 4.646 4.340 -0.000 0.000 0.206 189 L C 1.963 178.704 176.870 -0.215 0.000 1.087 189 L CA 1.333 56.074 54.840 -0.165 0.000 0.767 189 L CB -0.598 41.396 42.059 -0.108 0.000 0.917 189 L HN 0.374 nan 8.230 nan 0.000 0.441 190 I N -0.977 119.515 120.570 -0.131 0.000 2.208 190 I HA -0.322 3.848 4.170 -0.000 0.000 0.245 190 I C 2.285 178.307 176.117 -0.158 0.000 1.097 190 I CA 1.188 62.421 61.300 -0.113 0.000 1.363 190 I CB -0.330 37.664 38.000 -0.010 0.000 1.051 190 I HN 0.272 nan 8.210 nan 0.000 0.413 191 M N -0.484 119.072 119.600 -0.074 0.000 2.117 191 M HA -0.177 4.303 4.480 -0.000 0.000 0.262 191 M C 2.426 178.638 176.300 -0.147 0.000 1.065 191 M CA 1.645 56.925 55.300 -0.033 0.000 1.114 191 M CB -1.233 31.468 32.600 0.167 0.000 1.361 191 M HN 0.233 nan 8.290 nan 0.000 0.408 192 L N 0.771 121.861 121.223 -0.221 0.000 2.012 192 L HA -0.127 4.213 4.340 -0.000 0.000 0.210 192 L C 2.581 179.172 176.870 -0.464 0.000 1.073 192 L CA 2.200 56.823 54.840 -0.360 0.000 0.748 192 L CB -1.045 40.669 42.059 -0.575 0.000 0.891 192 L HN 0.284 nan 8.230 nan 0.000 0.431 193 A N -1.453 121.010 122.820 -0.596 0.000 1.908 193 A HA -0.274 4.046 4.320 -0.000 0.000 0.218 193 A C 2.185 179.464 177.584 -0.508 0.000 1.181 193 A CA 1.892 53.491 52.037 -0.730 0.000 0.627 193 A CB -0.575 17.553 19.000 -1.455 0.000 0.818 193 A HN 0.648 nan 8.150 nan 0.000 0.445 194 Q N -0.947 118.636 119.800 -0.362 0.000 2.224 194 Q HA -0.014 4.326 4.340 -0.000 0.000 0.203 194 Q C 2.328 178.282 176.000 -0.076 0.000 0.970 194 Q CA 0.973 56.684 55.803 -0.152 0.000 0.865 194 Q CB -0.288 28.135 28.738 -0.525 0.000 0.922 194 Q HN 0.708 nan 8.270 nan 0.000 0.445 195 A N 0.543 123.334 122.820 -0.047 0.000 1.929 195 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 195 A C 2.050 179.825 177.584 0.318 0.000 1.176 195 A CA 0.888 53.061 52.037 0.226 0.000 0.628 195 A CB -0.206 18.929 19.000 0.225 0.000 0.816 195 A HN 0.170 nan 8.150 nan 0.000 0.444 196 Q N -0.169 119.766 119.800 0.224 0.000 2.020 196 Q HA -0.197 4.143 4.340 -0.000 0.000 0.202 196 Q C 1.959 178.184 176.000 0.376 0.000 0.982 196 Q CA 1.807 57.803 55.803 0.321 0.000 0.838 196 Q CB -0.515 28.403 28.738 0.300 0.000 0.899 196 Q HN 0.825 nan 8.270 nan 0.000 0.423 197 E N -0.428 119.978 120.200 0.343 0.000 2.086 197 E HA -0.207 4.143 4.350 -0.000 0.000 0.205 197 E C 2.025 178.916 176.600 0.485 0.000 1.027 197 E CA 1.903 58.573 56.400 0.451 0.000 0.830 197 E CB 0.045 30.036 29.700 0.485 0.000 0.751 197 E HN 0.121 nan 8.360 nan 0.000 0.456 198 V N 0.380 120.527 119.914 0.388 0.000 2.250 198 V HA -0.294 3.825 4.120 -0.000 0.000 0.250 198 V C 2.116 178.262 176.094 0.086 0.000 1.060 198 V CA 2.216 64.645 62.300 0.215 0.000 1.030 198 V CB -0.678 31.224 31.823 0.133 0.000 0.643 198 V HN 0.304 nan 8.190 nan 0.000 0.445 199 F N -0.530 119.522 119.950 0.169 0.000 2.202 199 F HA -0.198 4.330 4.527 0.001 0.000 0.301 199 F C 2.129 177.999 175.800 0.117 0.000 1.082 199 F CA 2.149 60.219 58.000 0.118 0.000 1.313 199 F CB -0.585 38.481 39.000 0.111 0.000 1.024 199 F HN 0.252 nan 8.300 nan 0.000 0.495 200 F N -0.404 119.677 119.950 0.217 0.000 2.234 200 F HA -0.126 4.401 4.527 -0.000 0.000 0.299 200 F C 1.731 177.575 175.800 0.074 0.000 1.087 200 F CA 1.095 59.170 58.000 0.124 0.000 1.340 200 F CB -0.391 38.679 39.000 0.116 0.000 1.031 200 F HN -0.144 nan 8.300 nan 0.000 0.500 201 L N 1.159 122.247 121.223 -0.224 0.000 2.044 201 L HA -0.082 4.258 4.340 -0.000 0.000 0.205 201 L C 2.554 179.271 176.870 -0.255 0.000 1.075 201 L CA 1.762 56.404 54.840 -0.329 0.000 0.747 201 L CB -1.376 40.681 42.059 -0.003 0.000 0.903 201 L HN 0.218 nan 8.230 nan 0.000 0.435 202 K N -0.533 119.771 120.400 -0.160 0.000 2.044 202 K HA -0.213 4.106 4.320 -0.000 0.000 0.210 202 K C 1.987 178.518 176.600 -0.115 0.000 1.049 202 K CA 1.667 57.873 56.287 -0.135 0.000 0.927 202 K CB -0.128 32.279 32.500 -0.155 0.000 0.713 202 K HN 0.289 nan 8.250 nan 0.000 0.443 203 A N 0.221 122.977 122.820 -0.108 0.000 1.933 203 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 203 A C 2.167 179.647 177.584 -0.173 0.000 1.175 203 A CA 2.092 54.070 52.037 -0.099 0.000 0.628 203 A CB -0.902 18.059 19.000 -0.064 0.000 0.814 203 A HN 0.455 nan 8.150 nan 0.000 0.444 204 T N -0.929 113.442 114.554 -0.305 0.000 2.737 204 T HA -0.127 4.223 4.350 -0.000 0.000 0.265 204 T C 2.098 176.706 174.700 -0.153 0.000 1.038 204 T CA 1.558 63.487 62.100 -0.286 0.000 1.144 204 T CB -0.178 68.413 68.868 -0.461 0.000 0.866 204 T HN 0.557 nan 8.240 nan 0.000 0.434 205 R N 0.885 121.298 120.500 -0.145 0.000 2.090 205 R HA -0.067 4.273 4.340 -0.000 0.000 0.228 205 R C 0.833 177.095 176.300 -0.063 0.000 1.110 205 R CA 1.285 57.331 56.100 -0.090 0.000 0.973 205 R CB -0.053 30.195 30.300 -0.086 0.000 0.869 205 R HN 0.195 nan 8.270 nan 0.000 0.440 206 D N 1.312 121.673 120.400 -0.065 0.000 2.332 206 D HA -0.014 4.626 4.640 -0.000 0.000 0.244 206 D C -0.208 176.071 176.300 -0.036 0.000 1.136 206 D CA 0.363 54.338 54.000 -0.043 0.000 0.884 206 D CB -0.016 40.764 40.800 -0.034 0.000 0.906 206 D HN 0.170 nan 8.370 nan 0.000 0.520 207 K N 0.181 120.557 120.400 -0.040 0.000 3.139 207 K HA -0.243 4.077 4.320 -0.000 0.000 0.261 207 K C 0.234 176.817 176.600 -0.028 0.000 0.895 207 K CA 0.363 56.634 56.287 -0.027 0.000 0.664 207 K CB -1.583 30.913 32.500 -0.008 0.000 1.388 207 K HN 0.385 nan 8.250 nan 0.000 0.472 208 M N 0.778 120.352 119.600 -0.043 0.000 2.219 208 M HA 0.034 4.514 4.480 -0.000 0.000 0.307 208 M C 0.860 177.133 176.300 -0.046 0.000 1.116 208 M CA 0.473 55.750 55.300 -0.040 0.000 1.181 208 M CB 0.230 32.806 32.600 -0.039 0.000 1.410 208 M HN 0.012 nan 8.290 nan 0.000 0.454 209 K N 1.624 122.003 120.400 -0.035 0.000 2.524 209 K HA -0.087 4.232 4.320 -0.000 0.000 0.279 209 K C 0.411 176.980 176.600 -0.051 0.000 0.993 209 K CA -0.076 56.191 56.287 -0.033 0.000 1.030 209 K CB 0.410 32.895 32.500 -0.025 0.000 0.891 209 K HN 0.568 nan 8.250 nan 0.000 0.488 210 D N 2.339 122.721 120.400 -0.030 0.000 2.104 210 D HA -0.210 4.430 4.640 -0.000 0.000 0.194 210 D C 1.724 178.015 176.300 -0.015 0.000 0.994 210 D CA 1.617 55.607 54.000 -0.016 0.000 0.830 210 D CB -0.095 40.750 40.800 0.074 0.000 0.959 210 D HN 0.678 nan 8.370 nan 0.000 0.452 211 A N 1.075 123.890 122.820 -0.008 0.000 1.927 211 A HA -0.208 4.112 4.320 -0.000 0.000 0.220 211 A C 2.397 179.980 177.584 -0.002 0.000 1.185 211 A CA 1.191 53.228 52.037 -0.000 0.000 0.639 211 A CB -0.776 18.220 19.000 -0.008 0.000 0.820 211 A HN 0.234 nan 8.150 nan 0.000 0.451 212 I N -0.757 119.803 120.570 -0.016 0.000 2.252 212 I HA -0.212 3.958 4.170 -0.000 0.000 0.245 212 I C 2.264 178.378 176.117 -0.004 0.000 1.102 212 I CA 1.272 62.566 61.300 -0.010 0.000 1.385 212 I CB -0.283 37.709 38.000 -0.014 0.000 1.064 212 I HN 0.304 nan 8.210 nan 0.000 0.414 213 I N 0.695 121.228 120.570 -0.061 0.000 2.353 213 I HA -0.191 3.979 4.170 -0.000 0.000 0.248 213 I C 2.805 178.954 176.117 0.053 0.000 1.119 213 I CA 0.966 62.222 61.300 -0.074 0.000 1.417 213 I CB -0.433 37.314 38.000 -0.421 0.000 1.078 213 I HN 0.133 nan 8.210 nan 0.000 0.421 214 A N 1.053 123.901 122.820 0.048 0.000 1.908 214 A HA -0.235 4.084 4.320 -0.000 0.000 0.218 214 A C 2.288 179.916 177.584 0.075 0.000 1.181 214 A CA 1.723 53.837 52.037 0.128 0.000 0.627 214 A CB -0.431 18.641 19.000 0.120 0.000 0.818 214 A HN 0.329 nan 8.150 nan 0.000 0.445 215 K N -0.757 119.672 120.400 0.048 0.000 2.296 215 K HA 0.146 4.465 4.320 -0.000 0.000 0.200 215 K C 1.624 178.240 176.600 0.027 0.000 1.048 215 K CA 0.705 57.006 56.287 0.024 0.000 0.966 215 K CB -0.155 32.350 32.500 0.009 0.000 0.754 215 K HN 0.476 nan 8.250 nan 0.000 0.466 216 L N -0.263 121.007 121.223 0.078 0.000 2.202 216 L HA 0.024 4.364 4.340 -0.000 0.000 0.205 216 L C 2.414 179.344 176.870 0.101 0.000 1.083 216 L CA 0.501 55.414 54.840 0.121 0.000 0.790 216 L CB -0.287 41.902 42.059 0.216 0.000 0.942 216 L HN 0.103 nan 8.230 nan 0.000 0.452 217 A N 0.190 123.046 122.820 0.061 0.000 1.929 217 A HA -0.202 4.118 4.320 -0.000 0.000 0.216 217 A C 2.037 179.560 177.584 -0.103 0.000 1.176 217 A CA 1.811 53.739 52.037 -0.182 0.000 0.628 217 A CB -0.527 18.315 19.000 -0.263 0.000 0.816 217 A HN 0.379 nan 8.150 nan 0.000 0.444 218 N N -0.524 118.150 118.700 -0.044 0.000 2.188 218 N HA -0.162 4.577 4.740 -0.000 0.000 0.184 218 N C 1.859 177.321 175.510 -0.080 0.000 1.018 218 N CA 1.598 54.618 53.050 -0.049 0.000 0.858 218 N CB -0.291 38.179 38.487 -0.028 0.000 0.989 218 N HN 0.497 nan 8.380 nan 0.000 0.426 219 Q N 0.326 120.064 119.800 -0.103 0.000 2.096 219 Q HA 0.033 4.373 4.340 -0.000 0.000 0.204 219 Q C 1.794 177.635 176.000 -0.265 0.000 0.982 219 Q CA 1.972 57.633 55.803 -0.237 0.000 0.850 219 Q CB -0.603 28.006 28.738 -0.216 0.000 0.901 219 Q HN 0.374 nan 8.270 nan 0.000 0.422 220 A N 0.236 123.026 122.820 -0.050 0.000 1.902 220 A HA -0.019 4.301 4.320 -0.000 0.000 0.217 220 A C 2.311 179.998 177.584 0.171 0.000 1.181 220 A CA 1.828 53.917 52.037 0.088 0.000 0.623 220 A CB -1.224 17.868 19.000 0.153 0.000 0.818 220 A HN 0.536 nan 8.150 nan 0.000 0.443 221 A N -0.200 122.698 122.820 0.131 0.000 1.933 221 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 221 A C 1.799 179.524 177.584 0.236 0.000 1.175 221 A CA 2.156 54.303 52.037 0.183 0.000 0.628 221 A CB -0.715 18.268 19.000 -0.028 0.000 0.814 221 A HN 0.606 nan 8.150 nan 0.000 0.444 222 D N -2.111 118.321 120.400 0.054 0.000 2.144 222 D HA -0.140 4.500 4.640 -0.000 0.000 0.200 222 D C 1.632 177.966 176.300 0.057 0.000 0.978 222 D CA 1.135 55.143 54.000 0.013 0.000 0.833 222 D CB -0.201 40.511 40.800 -0.147 0.000 0.961 222 D HN 0.660 nan 8.370 nan 0.000 0.470 223 Y N -1.305 118.983 120.300 -0.019 0.000 2.263 223 Y HA -0.063 4.487 4.550 -0.000 0.000 0.292 223 Y C 1.798 177.621 175.900 -0.129 0.000 1.130 223 Y CA 0.243 58.265 58.100 -0.129 0.000 1.179 223 Y CB -0.007 38.284 38.460 -0.282 0.000 0.998 223 Y HN 0.012 nan 8.280 nan 0.000 0.532 224 F N -0.678 119.384 119.950 0.186 0.000 2.206 224 F HA -0.097 4.430 4.527 -0.000 0.000 0.298 224 F C 2.507 178.322 175.800 0.025 0.000 1.090 224 F CA 0.839 58.894 58.000 0.092 0.000 1.323 224 F CB -0.685 38.359 39.000 0.074 0.000 1.028 224 F HN -0.005 nan 8.300 nan 0.000 0.492 225 G N -0.003 108.893 108.800 0.161 0.000 2.476 225 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.218 225 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.218 225 G C 1.125 176.046 174.900 0.034 0.000 1.164 225 G CA 1.512 46.507 45.100 -0.177 0.000 0.768 225 G HN 0.227 nan 8.290 nan 0.000 0.560 226 D N 0.748 121.195 120.400 0.077 0.000 2.117 226 D HA 0.053 4.693 4.640 -0.000 0.000 0.198 226 D C 2.806 179.143 176.300 0.061 0.000 0.982 226 D CA 1.221 55.262 54.000 0.069 0.000 0.828 226 D CB -0.469 40.378 40.800 0.079 0.000 0.967 226 D HN 0.305 nan 8.370 nan 0.000 0.464 227 A N 0.176 123.043 122.820 0.078 0.000 1.902 227 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 227 A C 2.081 179.714 177.584 0.082 0.000 1.181 227 A CA 1.074 53.148 52.037 0.063 0.000 0.623 227 A CB -1.009 18.036 19.000 0.075 0.000 0.818 227 A HN 0.282 nan 8.150 nan 0.000 0.443 228 F N 0.782 120.709 119.950 -0.038 0.000 2.102 228 F HA -0.157 4.370 4.527 -0.000 0.000 0.298 228 F C 2.146 177.931 175.800 -0.025 0.000 1.105 228 F CA 2.168 60.115 58.000 -0.089 0.000 1.239 228 F CB -0.278 38.578 39.000 -0.240 0.000 0.991 228 F HN 0.131 nan 8.300 nan 0.000 0.474 229 K N 0.029 120.379 120.400 -0.083 0.000 1.978 229 K HA -0.252 4.068 4.320 -0.000 0.000 0.214 229 K C 2.072 178.585 176.600 -0.145 0.000 1.049 229 K CA 2.053 58.256 56.287 -0.140 0.000 0.939 229 K CB -0.608 31.898 32.500 0.010 0.000 0.721 229 K HN 0.378 nan 8.250 nan 0.000 0.441 230 Q N 0.041 119.801 119.800 -0.066 0.000 2.207 230 Q HA -0.292 4.047 4.340 -0.000 0.000 0.215 230 Q C 2.269 178.207 176.000 -0.104 0.000 1.006 230 Q CA 1.963 57.731 55.803 -0.057 0.000 0.903 230 Q CB -0.532 28.185 28.738 -0.034 0.000 0.947 230 Q HN 0.450 nan 8.270 nan 0.000 0.414 231 C N 0.040 119.255 119.300 -0.141 0.000 2.481 231 C HA -0.035 4.425 4.460 -0.000 0.000 0.275 231 C C 2.425 177.204 174.990 -0.353 0.000 1.419 231 C CA 0.023 58.939 59.018 -0.170 0.000 1.773 231 C CB -0.655 27.089 27.740 0.006 0.000 1.862 231 C HN 0.492 nan 8.230 nan 0.000 0.530 232 Q N -0.323 119.204 119.800 -0.455 0.000 2.124 232 Q HA -0.133 4.206 4.340 -0.000 0.000 0.202 232 Q C -0.004 175.379 176.000 -1.029 0.000 0.977 232 Q CA 1.437 56.765 55.803 -0.791 0.000 0.850 232 Q CB 0.008 28.186 28.738 -0.933 0.000 0.901 232 Q HN 0.805 nan 8.270 nan 0.000 0.429 233 Y N -0.207 119.993 120.300 -0.165 0.000 2.525 233 Y HA 0.427 4.977 4.550 0.000 0.000 0.365 233 Y C -0.847 174.977 175.900 -0.127 0.000 0.929 233 Y CA -0.432 57.587 58.100 -0.135 0.000 1.196 233 Y CB 0.654 39.062 38.460 -0.085 0.000 1.232 233 Y HN -0.266 nan 8.280 nan 0.000 0.613 234 K N 1.148 121.479 120.400 -0.114 0.000 2.545 234 K HA 0.057 4.377 4.320 -0.000 0.000 0.291 234 K C -1.972 174.527 176.600 -0.169 0.000 1.093 234 K CA -0.432 55.797 56.287 -0.098 0.000 1.012 234 K CB 1.607 34.069 32.500 -0.063 0.000 1.354 234 K HN 0.097 nan 8.250 nan 0.000 0.460 235 D N 2.385 122.694 120.400 -0.153 0.000 2.518 235 D HA 0.086 4.726 4.640 -0.000 0.000 0.230 235 D C 0.641 176.879 176.300 -0.103 0.000 1.138 235 D CA -0.065 53.830 54.000 -0.176 0.000 0.964 235 D CB 0.600 41.293 40.800 -0.178 0.000 1.011 235 D HN 0.511 nan 8.370 nan 0.000 0.517 236 T N -0.403 114.084 114.554 -0.112 0.000 3.044 236 T HA 0.300 4.650 4.350 -0.000 0.000 0.260 236 T C 0.790 175.389 174.700 -0.169 0.000 1.019 236 T CA -0.259 61.804 62.100 -0.062 0.000 0.921 236 T CB 0.085 68.940 68.868 -0.022 0.000 1.053 236 T HN 0.154 nan 8.240 nan 0.000 0.533 237 L N 0.893 121.950 121.223 -0.277 0.000 2.323 237 L HA 0.608 4.948 4.340 -0.000 0.000 0.265 237 L C -2.549 174.121 176.870 -0.333 0.000 1.012 237 L CA -3.101 51.421 54.840 -0.530 0.000 0.820 237 L CB 1.592 43.391 42.059 -0.434 0.000 1.334 237 L HN -0.190 nan 8.230 nan 0.000 0.427 238 P HA -0.038 nan 4.420 nan 0.000 0.267 238 P C -0.156 177.113 177.300 -0.052 0.000 1.195 238 P CA -0.067 62.974 63.100 -0.098 0.000 0.773 238 P CB 0.379 32.061 31.700 -0.029 0.000 0.837 239 K N 1.241 121.648 120.400 0.011 0.000 2.280 239 K HA -0.174 4.146 4.320 -0.000 0.000 0.202 239 K C 0.978 177.609 176.600 0.052 0.000 1.047 239 K CA 1.630 57.937 56.287 0.034 0.000 0.942 239 K CB -0.316 32.223 32.500 0.065 0.000 0.739 239 K HN 0.278 nan 8.250 nan 0.000 0.457 240 E N 0.990 121.220 120.200 0.050 0.000 2.299 240 E HA -0.028 4.322 4.350 -0.000 0.000 0.193 240 E C 1.851 178.384 176.600 -0.111 0.000 0.998 240 E CA 0.435 56.841 56.400 0.009 0.000 0.851 240 E CB 0.009 29.796 29.700 0.145 0.000 0.795 240 E HN 0.063 nan 8.360 nan 0.000 0.492 241 V N 0.886 120.771 119.914 -0.049 0.000 2.287 241 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 241 V C 1.894 177.964 176.094 -0.040 0.000 1.053 241 V CA 1.785 64.053 62.300 -0.052 0.000 1.027 241 V CB -0.491 31.299 31.823 -0.055 0.000 0.646 241 V HN 0.248 nan 8.190 nan 0.000 0.447 242 F N 2.301 122.155 119.950 -0.160 0.000 2.025 242 F HA -0.105 4.422 4.527 -0.000 0.000 0.297 242 F C 0.184 175.893 175.800 -0.152 0.000 1.132 242 F CA 2.181 60.112 58.000 -0.115 0.000 1.191 242 F CB -1.715 37.228 39.000 -0.095 0.000 0.963 242 F HN 0.230 nan 8.300 nan 0.000 0.481 243 P HA -0.103 nan 4.420 nan 0.000 0.220 243 P C 2.044 178.831 177.300 -0.855 0.000 1.148 243 P CA 1.522 64.245 63.100 -0.629 0.000 0.803 243 P CB -0.136 31.296 31.700 -0.448 0.000 0.782 244 V N 0.359 119.877 119.914 -0.659 0.000 2.358 244 V HA -0.195 3.925 4.120 -0.000 0.000 0.246 244 V C 2.789 178.589 176.094 -0.490 0.000 1.047 244 V CA 1.417 63.404 62.300 -0.523 0.000 1.035 244 V CB -1.154 30.469 31.823 -0.333 0.000 0.658 244 V HN 0.012 nan 8.190 nan 0.000 0.452 245 L N -0.002 121.004 121.223 -0.362 0.000 2.046 245 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 245 L C 2.714 179.325 176.870 -0.432 0.000 1.077 245 L CA 1.620 56.306 54.840 -0.258 0.000 0.747 245 L CB -0.760 41.302 42.059 0.006 0.000 0.896 245 L HN 0.377 nan 8.230 nan 0.000 0.432 246 A N -0.050 122.386 122.820 -0.640 0.000 1.873 246 A HA -0.147 4.173 4.320 -0.000 0.000 0.215 246 A C 2.544 179.694 177.584 -0.722 0.000 1.186 246 A CA 1.657 53.165 52.037 -0.882 0.000 0.616 246 A CB -0.758 17.621 19.000 -1.036 0.000 0.823 246 A HN 0.388 nan 8.150 nan 0.000 0.442 247 A N -0.164 122.117 122.820 -0.898 0.000 1.883 247 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 247 A C 2.132 179.461 177.584 -0.425 0.000 1.186 247 A CA 1.983 53.693 52.037 -0.545 0.000 0.624 247 A CB -0.495 18.237 19.000 -0.447 0.000 0.822 247 A HN 0.542 nan 8.150 nan 0.000 0.444 248 K N -1.618 118.441 120.400 -0.569 0.000 2.057 248 K HA -0.194 4.126 4.320 -0.000 0.000 0.207 248 K C 2.074 178.307 176.600 -0.612 0.000 1.049 248 K CA 1.555 57.400 56.287 -0.736 0.000 0.931 248 K CB -0.356 31.349 32.500 -1.325 0.000 0.714 248 K HN 0.725 nan 8.250 nan 0.000 0.440 249 H N 0.681 119.415 119.070 -0.561 0.000 2.289 249 H HA -0.188 4.368 4.556 -0.000 0.000 0.294 249 H C 1.930 177.118 175.328 -0.233 0.000 1.095 249 H CA 2.173 58.056 56.048 -0.275 0.000 1.256 249 H CB -0.528 29.065 29.762 -0.281 0.000 1.359 249 H HN 0.200 nan 8.280 nan 0.000 0.487 250 C N -0.046 119.057 119.300 -0.329 0.000 2.413 250 C HA -0.094 4.366 4.460 -0.000 0.000 0.276 250 C C 3.005 177.848 174.990 -0.245 0.000 1.236 250 C CA 1.121 59.956 59.018 -0.305 0.000 1.735 250 C CB -1.117 26.525 27.740 -0.163 0.000 2.031 250 C HN 0.603 nan 8.230 nan 0.000 0.474 251 I N 0.282 120.731 120.570 -0.202 0.000 2.361 251 I HA -0.226 3.944 4.170 -0.000 0.000 0.251 251 I C 2.528 178.559 176.117 -0.144 0.000 1.133 251 I CA 1.313 62.553 61.300 -0.101 0.000 1.413 251 I CB -0.327 37.599 38.000 -0.123 0.000 1.073 251 I HN 0.326 nan 8.210 nan 0.000 0.424 252 M N -0.482 118.971 119.600 -0.244 0.000 2.334 252 M HA -0.106 4.374 4.480 -0.000 0.000 0.266 252 M C 2.226 178.398 176.300 -0.213 0.000 1.082 252 M CA 1.416 56.556 55.300 -0.266 0.000 1.141 252 M CB -0.801 31.692 32.600 -0.178 0.000 1.380 252 M HN 0.306 nan 8.290 nan 0.000 0.440 253 Q N 0.075 119.722 119.800 -0.256 0.000 2.084 253 Q HA -0.100 4.240 4.340 -0.000 0.000 0.202 253 Q C 2.226 178.125 176.000 -0.169 0.000 0.978 253 Q CA 1.764 57.424 55.803 -0.238 0.000 0.844 253 Q CB -0.256 28.274 28.738 -0.347 0.000 0.898 253 Q HN 0.545 nan 8.270 nan 0.000 0.426 254 A N 1.569 124.311 122.820 -0.129 0.000 1.902 254 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 254 A C 1.829 179.566 177.584 0.255 0.000 1.181 254 A CA 1.434 53.466 52.037 -0.007 0.000 0.623 254 A CB -0.505 18.497 19.000 0.004 0.000 0.818 254 A HN 0.293 nan 8.150 nan 0.000 0.443 255 N N 0.402 119.240 118.700 0.231 0.000 2.120 255 N HA -0.139 4.601 4.740 -0.000 0.000 0.188 255 N C 1.938 177.607 175.510 0.265 0.000 1.024 255 N CA 1.515 54.699 53.050 0.223 0.000 0.852 255 N CB -0.472 37.938 38.487 -0.129 0.000 1.003 255 N HN 0.476 nan 8.380 nan 0.000 0.424 256 A N 1.678 124.557 122.820 0.099 0.000 1.902 256 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 256 A C 2.114 179.775 177.584 0.128 0.000 1.181 256 A CA 1.207 53.309 52.037 0.108 0.000 0.623 256 A CB -0.263 18.747 19.000 0.017 0.000 0.818 256 A HN 0.170 nan 8.150 nan 0.000 0.443 257 E N -1.194 119.059 120.200 0.088 0.000 2.047 257 E HA -0.176 4.174 4.350 -0.000 0.000 0.191 257 E C 1.875 178.543 176.600 0.113 0.000 0.987 257 E CA 1.408 57.854 56.400 0.077 0.000 0.799 257 E CB -0.623 29.083 29.700 0.009 0.000 0.752 257 E HN 0.768 nan 8.360 nan 0.000 0.449 258 Y N 2.029 122.348 120.300 0.033 0.000 2.114 258 Y HA -0.282 4.268 4.550 0.000 0.000 0.282 258 Y C 2.368 178.225 175.900 -0.070 0.000 1.165 258 Y CA 1.976 60.069 58.100 -0.013 0.000 1.148 258 Y CB -0.402 38.092 38.460 0.057 0.000 0.972 258 Y HN 0.176 nan 8.280 nan 0.000 0.504 259 H N -0.798 118.285 119.070 0.022 0.000 2.389 259 H HA -0.147 4.409 4.556 -0.001 0.000 0.299 259 H C 2.085 177.359 175.328 -0.091 0.000 1.081 259 H CA 1.781 57.777 56.048 -0.088 0.000 1.345 259 H CB -0.372 29.430 29.762 0.065 0.000 1.393 259 H HN 0.398 nan 8.280 nan 0.000 0.520 260 Q N 1.085 120.928 119.800 0.071 0.000 2.291 260 Q HA -0.091 4.249 4.340 -0.000 0.000 0.205 260 Q C 2.376 178.366 176.000 -0.016 0.000 0.970 260 Q CA 1.217 57.041 55.803 0.034 0.000 0.876 260 Q CB 0.014 28.782 28.738 0.050 0.000 0.935 260 Q HN 0.394 nan 8.270 nan 0.000 0.455 261 S N -1.026 114.638 115.700 -0.060 0.000 2.406 261 S HA -0.057 4.413 4.470 -0.000 0.000 0.228 261 S C 1.824 176.347 174.600 -0.129 0.000 1.020 261 S CA 0.717 58.872 58.200 -0.075 0.000 0.965 261 S CB -0.340 62.828 63.200 -0.053 0.000 0.798 261 S HN 0.476 nan 8.310 nan 0.000 0.488 262 I N 0.580 121.029 120.570 -0.203 0.000 2.394 262 I HA -0.084 4.086 4.170 -0.000 0.000 0.251 262 I C 2.241 178.277 176.117 -0.135 0.000 1.136 262 I CA 0.543 61.736 61.300 -0.177 0.000 1.425 262 I CB -0.299 37.581 38.000 -0.200 0.000 1.079 262 I HN 0.269 nan 8.210 nan 0.000 0.425 263 L N 0.828 121.991 121.223 -0.101 0.000 1.961 263 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 263 L C 2.757 179.531 176.870 -0.161 0.000 1.072 263 L CA 2.276 57.053 54.840 -0.106 0.000 0.749 263 L CB -1.054 40.977 42.059 -0.046 0.000 0.889 263 L HN 0.207 nan 8.230 nan 0.000 0.432 264 A N -0.629 122.137 122.820 -0.090 0.000 1.915 264 A HA -0.376 3.944 4.320 -0.000 0.000 0.220 264 A C 2.421 179.802 177.584 -0.339 0.000 1.198 264 A CA 2.564 54.553 52.037 -0.079 0.000 0.647 264 A CB -0.780 18.241 19.000 0.035 0.000 0.825 264 A HN 0.465 nan 8.150 nan 0.000 0.456 265 K N -0.735 119.488 120.400 -0.294 0.000 2.009 265 K HA -0.251 4.069 4.320 -0.000 0.000 0.210 265 K C 2.227 178.479 176.600 -0.580 0.000 1.049 265 K CA 1.892 57.950 56.287 -0.382 0.000 0.929 265 K CB -0.285 32.141 32.500 -0.123 0.000 0.714 265 K HN 0.605 nan 8.250 nan 0.000 0.440 266 Q N 0.013 119.538 119.800 -0.458 0.000 2.248 266 Q HA -0.188 4.152 4.340 -0.000 0.000 0.208 266 Q C 1.278 176.757 176.000 -0.868 0.000 0.984 266 Q CA 1.627 57.111 55.803 -0.532 0.000 0.875 266 Q CB 0.128 28.675 28.738 -0.319 0.000 0.910 266 Q HN 0.420 nan 8.270 nan 0.000 0.433 267 Q N -1.420 117.839 119.800 -0.902 0.000 2.220 267 Q HA 0.057 4.397 4.340 -0.000 0.000 0.205 267 Q C -0.878 174.397 176.000 -1.208 0.000 0.865 267 Q CA -0.222 54.943 55.803 -1.062 0.000 0.960 267 Q CB 0.601 28.683 28.738 -1.095 0.000 1.097 267 Q HN 0.366 nan 8.270 nan 0.000 0.493 268 Y N -2.999 116.744 120.300 -0.928 0.000 4.324 268 Y HA -0.298 4.252 4.550 -0.000 0.000 0.224 268 Y C -0.760 174.515 175.900 -1.042 0.000 1.113 268 Y CA -0.029 57.320 58.100 -1.252 0.000 1.887 268 Y CB -2.557 35.538 38.460 -0.609 0.000 1.602 268 Y HN 0.225 nan 8.280 nan 0.000 0.654 269 Y N -0.344 119.601 120.300 -0.591 0.000 2.636 269 Y HA 0.272 4.821 4.550 -0.000 0.000 0.334 269 Y C 1.035 176.742 175.900 -0.321 0.000 1.286 269 Y CA -1.449 56.452 58.100 -0.332 0.000 1.688 269 Y CB -1.139 37.208 38.460 -0.189 0.000 1.662 269 Y HN 0.165 nan 8.280 nan 0.000 0.465 270 F N 0.043 120.039 119.950 0.077 0.000 2.163 270 F HA -0.033 4.494 4.527 -0.000 0.000 0.297 270 F C 2.384 178.226 175.800 0.069 0.000 1.094 270 F CA 1.161 59.178 58.000 0.030 0.000 1.290 270 F CB -0.406 38.578 39.000 -0.027 0.000 1.017 270 F HN 0.540 nan 8.300 nan 0.000 0.483 271 G N -0.485 108.457 108.800 0.236 0.000 2.432 271 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.219 271 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.219 271 G C 1.494 176.457 174.900 0.105 0.000 1.135 271 G CA 0.945 46.136 45.100 0.152 0.000 0.767 271 G HN 0.416 nan 8.290 nan 0.000 0.550 272 E N 0.209 120.463 120.200 0.090 0.000 2.107 272 E HA -0.108 4.242 4.350 -0.000 0.000 0.191 272 E C 2.191 178.832 176.600 0.069 0.000 0.982 272 E CA 0.852 57.288 56.400 0.060 0.000 0.809 272 E CB -0.206 29.521 29.700 0.044 0.000 0.756 272 E HN 0.584 nan 8.360 nan 0.000 0.459 273 E N 0.514 120.762 120.200 0.079 0.000 2.049 273 E HA -0.222 4.127 4.350 -0.000 0.000 0.198 273 E C 2.189 178.842 176.600 0.089 0.000 1.007 273 E CA 1.572 58.015 56.400 0.072 0.000 0.809 273 E CB -0.133 29.627 29.700 0.100 0.000 0.749 273 E HN 0.356 nan 8.360 nan 0.000 0.450 274 I N 0.758 121.395 120.570 0.112 0.000 2.226 274 I HA -0.274 3.896 4.170 -0.000 0.000 0.245 274 I C 2.566 178.730 176.117 0.078 0.000 1.100 274 I CA 1.088 62.448 61.300 0.099 0.000 1.374 274 I CB -0.294 37.772 38.000 0.108 0.000 1.057 274 I HN 0.165 nan 8.210 nan 0.000 0.413 275 A N 0.694 123.557 122.820 0.071 0.000 1.898 275 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 275 A C 2.406 180.038 177.584 0.079 0.000 1.181 275 A CA 1.342 53.414 52.037 0.058 0.000 0.620 275 A CB -0.471 18.552 19.000 0.038 0.000 0.819 275 A HN 0.307 nan 8.150 nan 0.000 0.442 276 R N -0.672 119.878 120.500 0.084 0.000 2.073 276 R HA 0.052 4.392 4.340 -0.000 0.000 0.229 276 R C 2.052 178.415 176.300 0.104 0.000 1.120 276 R CA 1.164 57.328 56.100 0.107 0.000 0.967 276 R CB -0.477 29.871 30.300 0.081 0.000 0.862 276 R HN 0.481 nan 8.270 nan 0.000 0.436 277 L N 0.849 122.123 121.223 0.085 0.000 2.046 277 L HA -0.239 4.101 4.340 -0.000 0.000 0.208 277 L C 2.568 179.469 176.870 0.052 0.000 1.077 277 L CA 1.539 56.425 54.840 0.077 0.000 0.747 277 L CB -0.427 41.683 42.059 0.085 0.000 0.896 277 L HN 0.251 nan 8.230 nan 0.000 0.432 278 Q N -1.104 118.735 119.800 0.065 0.000 2.061 278 Q HA -0.285 4.055 4.340 -0.000 0.000 0.204 278 Q C 2.160 178.213 176.000 0.089 0.000 0.984 278 Q CA 1.881 57.718 55.803 0.056 0.000 0.846 278 Q CB -0.332 28.437 28.738 0.052 0.000 0.902 278 Q HN 0.579 nan 8.270 nan 0.000 0.421 279 H N -0.310 118.754 119.070 -0.010 0.000 2.289 279 H HA -0.192 4.365 4.556 0.000 0.000 0.296 279 H C 2.003 177.309 175.328 -0.037 0.000 1.091 279 H CA 1.091 57.128 56.048 -0.019 0.000 1.274 279 H CB 0.113 29.869 29.762 -0.009 0.000 1.364 279 H HN 0.333 nan 8.280 nan 0.000 0.490 280 A N 1.084 123.855 122.820 -0.081 0.000 1.917 280 A HA -0.203 4.117 4.320 -0.000 0.000 0.219 280 A C 2.621 180.084 177.584 -0.202 0.000 1.182 280 A CA 1.826 53.757 52.037 -0.176 0.000 0.633 280 A CB -1.121 17.812 19.000 -0.112 0.000 0.819 280 A HN 0.630 nan 8.150 nan 0.000 0.448 281 A N -0.752 121.989 122.820 -0.132 0.000 1.902 281 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 281 A C 2.044 179.573 177.584 -0.092 0.000 1.181 281 A CA 1.783 53.744 52.037 -0.127 0.000 0.623 281 A CB -0.512 18.445 19.000 -0.071 0.000 0.818 281 A HN 0.659 nan 8.150 nan 0.000 0.443 282 E N -0.327 119.848 120.200 -0.041 0.000 2.031 282 E HA -0.152 4.197 4.350 -0.000 0.000 0.193 282 E C 1.992 178.567 176.600 -0.041 0.000 0.994 282 E CA 1.170 57.563 56.400 -0.011 0.000 0.800 282 E CB -0.191 29.546 29.700 0.063 0.000 0.752 282 E HN 0.633 nan 8.360 nan 0.000 0.447 283 L N 0.788 121.965 121.223 -0.077 0.000 2.046 283 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 283 L C 2.428 179.242 176.870 -0.093 0.000 1.077 283 L CA 0.610 55.391 54.840 -0.098 0.000 0.747 283 L CB -0.281 41.669 42.059 -0.182 0.000 0.896 283 L HN 0.259 nan 8.230 nan 0.000 0.432 284 I N -0.328 120.162 120.570 -0.133 0.000 2.406 284 I HA -0.212 3.958 4.170 -0.000 0.000 0.249 284 I C 2.505 178.566 176.117 -0.092 0.000 1.122 284 I CA 1.206 62.429 61.300 -0.129 0.000 1.431 284 I CB -0.915 36.929 38.000 -0.260 0.000 1.087 284 I HN 0.311 nan 8.210 nan 0.000 0.424 285 K N 0.763 121.107 120.400 -0.093 0.000 2.009 285 K HA -0.193 4.127 4.320 -0.000 0.000 0.210 285 K C 2.085 178.649 176.600 -0.059 0.000 1.049 285 K CA 2.168 58.413 56.287 -0.069 0.000 0.929 285 K CB -0.021 32.443 32.500 -0.061 0.000 0.714 285 K HN 0.218 nan 8.250 nan 0.000 0.440 286 T N 0.908 115.428 114.554 -0.055 0.000 2.684 286 T HA -0.123 4.227 4.350 -0.000 0.000 0.267 286 T C 1.895 176.553 174.700 -0.070 0.000 1.036 286 T CA 1.413 63.476 62.100 -0.063 0.000 1.148 286 T CB -0.163 68.679 68.868 -0.044 0.000 0.863 286 T HN -0.005 nan 8.240 nan 0.000 0.436 287 V N 1.658 121.566 119.914 -0.010 0.000 2.332 287 V HA -0.193 3.927 4.120 -0.000 0.000 0.248 287 V C 2.854 178.970 176.094 0.036 0.000 1.055 287 V CA 1.740 64.087 62.300 0.079 0.000 1.038 287 V CB -1.165 30.709 31.823 0.084 0.000 0.651 287 V HN 0.539 nan 8.190 nan 0.000 0.450 288 A N 0.500 123.315 122.820 -0.008 0.000 1.933 288 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 288 A C 2.484 180.048 177.584 -0.034 0.000 1.175 288 A CA 2.361 54.391 52.037 -0.012 0.000 0.628 288 A CB -0.541 18.444 19.000 -0.026 0.000 0.814 288 A HN 0.692 nan 8.150 nan 0.000 0.444 289 S N -1.004 114.655 115.700 -0.069 0.000 2.421 289 S HA -0.001 4.469 4.470 -0.000 0.000 0.224 289 S C 1.993 176.510 174.600 -0.139 0.000 1.035 289 S CA 0.803 58.952 58.200 -0.086 0.000 0.953 289 S CB -0.297 62.858 63.200 -0.076 0.000 0.810 289 S HN 0.579 nan 8.310 nan 0.000 0.497 290 R N 0.172 120.515 120.500 -0.262 0.000 2.100 290 R HA 0.125 4.465 4.340 -0.000 0.000 0.220 290 R C 0.363 176.360 176.300 -0.505 0.000 1.091 290 R CA 0.907 56.715 56.100 -0.486 0.000 0.986 290 R CB -0.004 29.803 30.300 -0.821 0.000 0.888 290 R HN 0.579 nan 8.270 nan 0.000 0.444 291 Y N 0.693 121.022 120.300 0.047 0.000 2.734 291 Y HA 0.120 4.670 4.550 -0.001 0.000 0.278 291 Y C 0.720 176.685 175.900 0.110 0.000 1.108 291 Y CA -0.782 57.398 58.100 0.133 0.000 1.211 291 Y CB 0.503 39.011 38.460 0.081 0.000 1.182 291 Y HN 0.178 nan 8.280 nan 0.000 0.547 292 D N 0.205 120.666 120.400 0.101 0.000 2.218 292 D HA -0.222 4.418 4.640 -0.000 0.000 0.204 292 D C 0.997 177.293 176.300 -0.007 0.000 0.976 292 D CA 1.204 55.227 54.000 0.038 0.000 0.853 292 D CB 0.034 40.830 40.800 -0.006 0.000 0.939 292 D HN 0.484 nan 8.370 nan 0.000 0.481 293 E N -0.799 119.354 120.200 -0.077 0.000 2.204 293 E HA -0.142 4.208 4.350 -0.000 0.000 0.194 293 E C 1.040 177.436 176.600 -0.341 0.000 0.989 293 E CA 0.893 57.106 56.400 -0.311 0.000 0.824 293 E CB -0.138 29.184 29.700 -0.630 0.000 0.756 293 E HN 0.484 nan 8.360 nan 0.000 0.477 294 Y N -0.981 119.350 120.300 0.051 0.000 2.430 294 Y HA 0.163 4.713 4.550 0.000 0.000 0.248 294 Y C 0.535 176.432 175.900 -0.006 0.000 1.108 294 Y CA -0.516 57.598 58.100 0.023 0.000 1.264 294 Y CB 1.006 39.473 38.460 0.011 0.000 1.172 294 Y HN -0.133 nan 8.280 nan 0.000 0.520 295 V N -2.398 117.596 119.914 0.133 0.000 3.159 295 V HA 0.583 4.703 4.120 -0.000 0.000 0.308 295 V C -1.195 174.926 176.094 0.045 0.000 1.190 295 V CA -1.076 61.261 62.300 0.062 0.000 1.037 295 V CB 2.431 34.275 31.823 0.035 0.000 1.060 295 V HN 0.075 nan 8.190 nan 0.000 0.437 296 N N 0.791 119.510 118.700 0.032 0.000 2.346 296 N HA 0.590 5.330 4.740 -0.000 0.000 0.289 296 N C -0.982 174.553 175.510 0.041 0.000 1.027 296 N CA -0.199 52.871 53.050 0.032 0.000 0.864 296 N CB 2.320 40.824 38.487 0.028 0.000 1.370 296 N HN 0.663 nan 8.380 nan 0.000 0.481 297 V N 3.759 123.701 119.914 0.046 0.000 3.337 297 V HA 0.098 4.218 4.120 -0.000 0.000 0.307 297 V C 1.664 177.795 176.094 0.062 0.000 1.505 297 V CA 0.008 62.352 62.300 0.074 0.000 1.072 297 V CB 0.261 32.121 31.823 0.062 0.000 0.929 297 V HN 0.579 nan 8.190 nan 0.000 0.455 298 K N 1.187 121.609 120.400 0.037 0.000 2.009 298 K HA -0.171 4.149 4.320 -0.000 0.000 0.210 298 K C 1.620 178.235 176.600 0.025 0.000 1.049 298 K CA 2.483 58.781 56.287 0.018 0.000 0.929 298 K CB -0.199 32.309 32.500 0.013 0.000 0.714 298 K HN 0.477 nan 8.250 nan 0.000 0.440 299 D N -0.240 120.190 120.400 0.050 0.000 2.088 299 D HA -0.198 4.442 4.640 -0.000 0.000 0.191 299 D C 1.806 178.155 176.300 0.082 0.000 0.992 299 D CA 1.203 55.235 54.000 0.054 0.000 0.831 299 D CB -0.549 40.284 40.800 0.055 0.000 0.973 299 D HN 0.171 nan 8.370 nan 0.000 0.447 300 F N 1.803 121.700 119.950 -0.088 0.000 2.115 300 F HA -0.254 4.273 4.527 -0.001 0.000 0.300 300 F C 2.607 178.312 175.800 -0.159 0.000 1.092 300 F CA 1.424 59.334 58.000 -0.150 0.000 1.245 300 F CB -0.829 38.097 39.000 -0.123 0.000 0.995 300 F HN -0.129 nan 8.300 nan 0.000 0.481 301 S N -0.082 115.516 115.700 -0.169 0.000 2.359 301 S HA -0.211 4.259 4.470 -0.000 0.000 0.224 301 S C 1.827 176.332 174.600 -0.158 0.000 1.035 301 S CA 1.838 59.901 58.200 -0.229 0.000 1.018 301 S CB -0.542 62.579 63.200 -0.131 0.000 0.876 301 S HN 0.473 nan 8.310 nan 0.000 0.448 302 D N 0.928 121.280 120.400 -0.081 0.000 2.123 302 D HA -0.082 4.557 4.640 -0.000 0.000 0.196 302 D C 1.974 178.243 176.300 -0.052 0.000 0.992 302 D CA 1.000 54.971 54.000 -0.049 0.000 0.833 302 D CB -0.294 40.495 40.800 -0.018 0.000 0.954 302 D HN 0.450 nan 8.370 nan 0.000 0.455 303 K N 0.335 120.695 120.400 -0.066 0.000 2.057 303 K HA -0.062 4.258 4.320 -0.000 0.000 0.206 303 K C 2.181 178.707 176.600 -0.124 0.000 1.050 303 K CA 0.519 56.763 56.287 -0.072 0.000 0.935 303 K CB -0.101 32.355 32.500 -0.072 0.000 0.715 303 K HN 0.111 nan 8.250 nan 0.000 0.439 304 I N 1.907 122.320 120.570 -0.261 0.000 2.099 304 I HA -0.349 3.821 4.170 -0.000 0.000 0.239 304 I C 1.947 178.021 176.117 -0.072 0.000 1.066 304 I CA 1.293 62.464 61.300 -0.216 0.000 1.324 304 I CB -0.458 37.304 38.000 -0.395 0.000 1.037 304 I HN 0.213 nan 8.210 nan 0.000 0.401 305 N N 0.792 119.440 118.700 -0.086 0.000 2.104 305 N HA -0.177 4.563 4.740 -0.000 0.000 0.190 305 N C 1.913 177.424 175.510 0.002 0.000 1.024 305 N CA 1.260 54.288 53.050 -0.036 0.000 0.853 305 N CB -0.443 38.019 38.487 -0.042 0.000 1.008 305 N HN 0.358 nan 8.380 nan 0.000 0.424 306 R N 0.827 121.331 120.500 0.007 0.000 2.082 306 R HA -0.055 4.285 4.340 -0.000 0.000 0.234 306 R C 2.297 178.633 176.300 0.059 0.000 1.136 306 R CA 1.524 57.642 56.100 0.031 0.000 0.935 306 R CB -0.498 29.823 30.300 0.034 0.000 0.842 306 R HN 0.221 nan 8.270 nan 0.000 0.430 307 A N 1.138 124.013 122.820 0.090 0.000 1.892 307 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 307 A C 2.092 179.737 177.584 0.102 0.000 1.188 307 A CA 1.497 53.611 52.037 0.129 0.000 0.631 307 A CB -0.595 18.551 19.000 0.243 0.000 0.822 307 A HN 0.293 nan 8.150 nan 0.000 0.447 308 L N -0.595 120.675 121.223 0.079 0.000 2.056 308 L HA 0.022 4.362 4.340 -0.000 0.000 0.207 308 L C 2.692 179.599 176.870 0.063 0.000 1.078 308 L CA 2.088 56.968 54.840 0.067 0.000 0.749 308 L CB -0.762 41.322 42.059 0.043 0.000 0.901 308 L HN 0.345 nan 8.230 nan 0.000 0.433 309 A N -0.316 122.535 122.820 0.051 0.000 1.877 309 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 309 A C 2.466 180.087 177.584 0.062 0.000 1.186 309 A CA 1.956 54.023 52.037 0.051 0.000 0.620 309 A CB -1.280 17.742 19.000 0.038 0.000 0.822 309 A HN 0.563 nan 8.150 nan 0.000 0.443 310 A N -0.177 122.681 122.820 0.063 0.000 1.908 310 A HA 0.120 4.440 4.320 -0.000 0.000 0.218 310 A C 2.521 180.156 177.584 0.085 0.000 1.181 310 A CA 2.283 54.360 52.037 0.065 0.000 0.627 310 A CB -1.078 17.961 19.000 0.065 0.000 0.818 310 A HN 1.118 nan 8.150 nan 0.000 0.445 311 A N -0.335 122.547 122.820 0.103 0.000 1.902 311 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 311 A C 2.132 179.785 177.584 0.115 0.000 1.181 311 A CA 1.790 53.906 52.037 0.132 0.000 0.623 311 A CB -0.415 18.675 19.000 0.150 0.000 0.818 311 A HN 0.501 nan 8.150 nan 0.000 0.443 312 K N -0.451 120.006 120.400 0.097 0.000 2.148 312 K HA -0.126 4.194 4.320 -0.000 0.000 0.204 312 K C 2.145 178.805 176.600 0.100 0.000 1.050 312 K CA 1.307 57.646 56.287 0.087 0.000 0.942 312 K CB -0.134 32.408 32.500 0.070 0.000 0.724 312 K HN 0.547 nan 8.250 nan 0.000 0.446 313 K N 1.407 121.876 120.400 0.116 0.000 1.985 313 K HA -0.184 4.136 4.320 -0.000 0.000 0.210 313 K C 1.500 178.200 176.600 0.166 0.000 1.047 313 K CA 1.912 58.306 56.287 0.178 0.000 0.932 313 K CB -0.014 32.541 32.500 0.092 0.000 0.716 313 K HN -0.045 nan 8.250 nan 0.000 0.439 314 D N 0.234 120.661 120.400 0.045 0.000 2.221 314 D HA -0.154 4.486 4.640 -0.000 0.000 0.204 314 D C 1.622 177.839 176.300 -0.139 0.000 0.982 314 D CA 1.060 55.010 54.000 -0.083 0.000 0.857 314 D CB -0.229 40.549 40.800 -0.036 0.000 0.934 314 D HN 0.286 nan 8.370 nan 0.000 0.475 315 N N 0.174 118.871 118.700 -0.005 0.000 2.305 315 N HA -0.086 4.654 4.740 -0.000 0.000 0.179 315 N C 1.089 176.551 175.510 -0.080 0.000 1.019 315 N CA 0.795 53.843 53.050 -0.004 0.000 0.869 315 N CB 0.241 38.785 38.487 0.095 0.000 1.000 315 N HN -0.084 nan 8.380 nan 0.000 0.431 316 D N -0.803 119.577 120.400 -0.035 0.000 2.144 316 D HA -0.068 4.572 4.640 -0.000 0.000 0.200 316 D C 1.230 177.405 176.300 -0.209 0.000 0.978 316 D CA 0.904 54.844 54.000 -0.100 0.000 0.833 316 D CB -0.062 40.625 40.800 -0.189 0.000 0.961 316 D HN 0.293 nan 8.370 nan 0.000 0.470 317 F N 0.311 120.173 119.950 -0.147 0.000 2.202 317 F HA 0.147 4.674 4.527 -0.000 0.000 0.279 317 F C 2.308 177.858 175.800 -0.416 0.000 1.077 317 F CA 0.236 58.143 58.000 -0.155 0.000 1.193 317 F CB -0.411 38.508 39.000 -0.134 0.000 1.090 317 F HN -0.187 nan 8.300 nan 0.000 0.516 318 I N -1.111 119.250 120.570 -0.347 0.000 2.330 318 I HA -0.245 3.925 4.170 -0.000 0.000 0.229 318 I C 2.087 177.733 176.117 -0.786 0.000 1.063 318 I CA 1.384 62.325 61.300 -0.598 0.000 1.367 318 I CB -0.968 36.527 38.000 -0.841 0.000 1.158 318 I HN 0.051 nan 8.210 nan 0.000 0.411 319 Y N -0.026 119.995 120.300 -0.465 0.000 2.242 319 Y HA -0.164 4.386 4.550 -0.000 0.000 0.291 319 Y C 0.952 176.754 175.900 -0.163 0.000 1.137 319 Y CA 1.198 59.111 58.100 -0.312 0.000 1.181 319 Y CB -0.629 37.601 38.460 -0.383 0.000 0.989 319 Y HN 0.274 nan 8.280 nan 0.000 0.527 320 H N -1.146 117.997 119.070 0.121 0.000 2.862 320 H HA -0.183 4.373 4.556 -0.000 0.000 0.290 320 H C -0.619 174.779 175.328 0.116 0.000 1.211 320 H CA 0.137 56.236 56.048 0.084 0.000 1.140 320 H CB -1.609 28.181 29.762 0.047 0.000 1.341 320 H HN 0.233 nan 8.280 nan 0.000 0.392 321 D N 0.749 121.293 120.400 0.241 0.000 2.389 321 D HA 0.151 4.791 4.640 -0.000 0.000 0.247 321 D C 0.705 177.102 176.300 0.163 0.000 1.128 321 D CA -0.483 53.649 54.000 0.220 0.000 0.884 321 D CB 0.633 41.607 40.800 0.290 0.000 1.194 321 D HN 0.335 nan 8.370 nan 0.000 0.441 322 R N 2.340 122.915 120.500 0.125 0.000 2.442 322 R HA 0.236 4.576 4.340 -0.000 0.000 0.291 322 R C -1.225 175.123 176.300 0.079 0.000 1.069 322 R CA -0.331 55.821 56.100 0.086 0.000 1.022 322 R CB 0.434 30.772 30.300 0.062 0.000 0.976 322 R HN 0.141 nan 8.270 nan 0.000 0.443 323 V N 8.310 128.264 119.914 0.066 0.000 2.385 323 V HA 0.304 4.424 4.120 -0.000 0.000 0.269 323 V C -1.549 174.565 176.094 0.032 0.000 1.043 323 V CA -1.484 60.850 62.300 0.056 0.000 0.906 323 V CB 0.641 32.497 31.823 0.054 0.000 0.995 323 V HN 0.926 nan 8.190 nan 0.000 0.467 324 P HA 0.248 nan 4.420 nan 0.000 0.274 324 P C -0.695 176.602 177.300 -0.005 0.000 1.246 324 P CA -0.541 62.560 63.100 0.003 0.000 0.795 324 P CB 0.777 32.472 31.700 -0.009 0.000 1.006 325 D N 0.473 120.864 120.400 -0.015 0.000 2.382 325 D HA 0.067 4.707 4.640 -0.000 0.000 0.245 325 D C 1.743 178.019 176.300 -0.039 0.000 1.120 325 D CA -0.226 53.758 54.000 -0.027 0.000 0.890 325 D CB 0.586 41.370 40.800 -0.027 0.000 1.201 325 D HN 0.251 nan 8.370 nan 0.000 0.433 326 L N 2.016 123.201 121.223 -0.064 0.000 2.054 326 L HA -0.340 4.000 4.340 -0.000 0.000 0.220 326 L C 2.430 179.260 176.870 -0.067 0.000 1.081 326 L CA 2.016 56.801 54.840 -0.092 0.000 0.780 326 L CB -0.745 41.205 42.059 -0.182 0.000 0.893 326 L HN 0.545 nan 8.230 nan 0.000 0.438 327 K N -0.672 119.693 120.400 -0.058 0.000 2.160 327 K HA -0.213 4.107 4.320 -0.000 0.000 0.206 327 K C 1.057 177.637 176.600 -0.033 0.000 1.047 327 K CA 2.003 58.265 56.287 -0.042 0.000 0.930 327 K CB -0.365 32.115 32.500 -0.033 0.000 0.720 327 K HN 0.278 nan 8.250 nan 0.000 0.450 328 D N 0.795 121.175 120.400 -0.034 0.000 2.340 328 D HA 0.107 4.747 4.640 -0.000 0.000 0.220 328 D C 0.045 176.322 176.300 -0.039 0.000 1.039 328 D CA 0.340 54.320 54.000 -0.034 0.000 0.866 328 D CB 0.088 40.869 40.800 -0.032 0.000 0.913 328 D HN 0.226 nan 8.370 nan 0.000 0.523 329 L N 1.657 122.858 121.223 -0.036 0.000 2.276 329 L HA 0.161 4.501 4.340 -0.000 0.000 0.286 329 L C 0.390 177.243 176.870 -0.027 0.000 1.061 329 L CA -0.831 53.988 54.840 -0.035 0.000 0.807 329 L CB 0.986 43.033 42.059 -0.021 0.000 1.177 329 L HN -0.259 nan 8.230 nan 0.000 0.429 330 D N 4.974 125.353 120.400 -0.035 0.000 2.703 330 D HA -0.029 4.611 4.640 -0.000 0.000 0.225 330 D C -1.853 174.441 176.300 -0.009 0.000 1.119 330 D CA -0.188 53.797 54.000 -0.025 0.000 0.845 330 D CB 0.248 41.027 40.800 -0.034 0.000 1.182 330 D HN 0.306 nan 8.370 nan 0.000 0.493 331 P HA 0.071 nan 4.420 nan 0.000 0.267 331 P C 0.205 177.509 177.300 0.006 0.000 1.200 331 P CA -0.048 63.054 63.100 0.004 0.000 0.772 331 P CB 0.618 32.318 31.700 0.000 0.000 0.855 332 I N 1.190 121.768 120.570 0.014 0.000 2.575 332 I HA 0.213 4.383 4.170 -0.000 0.000 0.285 332 I C 1.684 177.802 176.117 0.002 0.000 1.085 332 I CA -0.147 61.161 61.300 0.014 0.000 1.403 332 I CB 0.569 38.584 38.000 0.024 0.000 1.409 332 I HN 0.405 nan 8.210 nan 0.000 0.557 333 G N 4.996 113.795 108.800 -0.001 0.000 2.570 333 G HA2 0.332 4.292 3.960 -0.000 0.000 0.276 333 G HA3 0.332 4.292 3.960 -0.000 0.000 0.276 333 G C -0.512 174.375 174.900 -0.022 0.000 1.346 333 G CA -0.458 44.635 45.100 -0.011 0.000 1.034 333 G HN 0.611 nan 8.290 nan 0.000 0.512 334 K N -1.040 119.339 120.400 -0.035 0.000 2.498 334 K HA 0.599 4.919 4.320 -0.000 0.000 0.254 334 K C -1.229 175.338 176.600 -0.056 0.000 0.933 334 K CA -0.666 55.585 56.287 -0.060 0.000 0.806 334 K CB 2.579 35.022 32.500 -0.094 0.000 1.301 334 K HN 0.610 nan 8.250 nan 0.000 0.432 335 A N 1.612 124.399 122.820 -0.055 0.000 2.411 335 A HA 0.374 4.694 4.320 -0.000 0.000 0.285 335 A C -0.672 176.881 177.584 -0.050 0.000 1.129 335 A CA -0.538 51.471 52.037 -0.046 0.000 0.736 335 A CB 1.595 20.580 19.000 -0.025 0.000 1.186 335 A HN 0.520 nan 8.150 nan 0.000 0.445 336 T N 1.539 116.060 114.554 -0.054 0.000 2.889 336 T HA 0.475 4.825 4.350 -0.000 0.000 0.291 336 T C -0.035 174.624 174.700 -0.068 0.000 0.995 336 T CA 0.071 62.160 62.100 -0.018 0.000 1.092 336 T CB 0.262 69.163 68.868 0.054 0.000 0.954 336 T HN 0.538 nan 8.240 nan 0.000 0.506 337 L N 5.540 126.680 121.223 -0.138 0.000 3.333 337 L HA 0.564 4.904 4.340 -0.000 0.000 0.299 337 L C -0.521 176.086 176.870 -0.438 0.000 1.256 337 L CA 0.254 54.879 54.840 -0.358 0.000 1.037 337 L CB 0.740 42.468 42.059 -0.551 0.000 1.423 337 L HN 0.489 nan 8.230 nan 0.000 0.605 338 V N -0.245 119.566 119.914 -0.172 0.000 3.049 338 V HA 0.569 4.689 4.120 -0.000 0.000 0.309 338 V C -0.915 175.166 176.094 -0.022 0.000 1.148 338 V CA -0.656 61.596 62.300 -0.080 0.000 0.990 338 V CB 3.083 34.915 31.823 0.015 0.000 1.039 338 V HN 0.142 nan 8.190 nan 0.000 0.430 339 K N 1.625 122.016 120.400 -0.016 0.000 2.527 339 K HA 0.536 4.856 4.320 -0.000 0.000 0.260 339 K C -0.964 175.623 176.600 -0.021 0.000 0.937 339 K CA -0.560 55.716 56.287 -0.019 0.000 0.826 339 K CB 2.286 34.779 32.500 -0.012 0.000 1.359 339 K HN 0.630 nan 8.250 nan 0.000 0.434 340 S N 1.575 117.252 115.700 -0.038 0.000 2.498 340 S HA 0.060 4.530 4.470 -0.000 0.000 0.281 340 S C -0.365 174.214 174.600 -0.035 0.000 1.265 340 S CA -0.152 58.021 58.200 -0.045 0.000 1.071 340 S CB 0.379 63.548 63.200 -0.052 0.000 0.894 340 S HN 0.412 nan 8.310 nan 0.000 0.491 341 T N 6.791 121.321 114.554 -0.040 0.000 2.799 341 T HA 0.197 4.547 4.350 -0.000 0.000 0.296 341 T C -2.247 172.415 174.700 -0.064 0.000 0.947 341 T CA -0.933 61.150 62.100 -0.029 0.000 1.141 341 T CB 0.082 68.959 68.868 0.016 0.000 0.891 341 T HN 0.318 nan 8.240 nan 0.000 0.533 342 P HA 0.141 nan 4.420 nan 0.000 0.268 342 P C -0.548 176.710 177.300 -0.070 0.000 1.204 342 P CA -0.385 62.697 63.100 -0.030 0.000 0.768 342 P CB 0.391 32.090 31.700 -0.002 0.000 0.842 343 V N 4.890 124.724 119.914 -0.133 0.000 2.432 343 V HA 0.184 4.304 4.120 -0.000 0.000 0.271 343 V C 0.309 176.305 176.094 -0.163 0.000 1.046 343 V CA 0.256 62.408 62.300 -0.248 0.000 0.945 343 V CB -0.161 31.299 31.823 -0.605 0.000 0.992 343 V HN 0.569 nan 8.190 nan 0.000 0.471 344 N N 2.550 121.199 118.700 -0.086 0.000 2.581 344 N HA 0.372 5.112 4.740 -0.000 0.000 0.279 344 N C -0.630 174.857 175.510 -0.040 0.000 1.124 344 N CA -0.573 52.452 53.050 -0.042 0.000 0.833 344 N CB 2.154 40.633 38.487 -0.013 0.000 1.338 344 N HN 0.631 nan 8.380 nan 0.000 0.533 345 V N 1.425 121.308 119.914 -0.052 0.000 2.599 345 V HA 0.400 4.519 4.120 -0.000 0.000 0.300 345 V C -1.874 174.163 176.094 -0.096 0.000 1.034 345 V CA -0.936 61.299 62.300 -0.109 0.000 1.115 345 V CB -0.057 31.655 31.823 -0.184 0.000 0.934 345 V HN 0.476 nan 8.190 nan 0.000 0.485 346 P HA 0.405 nan 4.420 nan 0.000 0.285 346 P C 0.650 177.884 177.300 -0.110 0.000 1.259 346 P CA -0.525 62.423 63.100 -0.252 0.000 0.794 346 P CB 1.473 33.047 31.700 -0.210 0.000 0.940 347 I N -0.266 120.249 120.570 -0.092 0.000 3.427 347 I HA 0.044 4.214 4.170 -0.000 0.000 0.288 347 I C 0.619 176.709 176.117 -0.047 0.000 1.249 347 I CA -0.172 61.115 61.300 -0.022 0.000 1.421 347 I CB -0.280 37.755 38.000 0.058 0.000 1.086 347 I HN 0.135 nan 8.210 nan 0.000 0.448 348 S N 1.167 116.833 115.700 -0.056 0.000 2.632 348 S HA 0.367 4.837 4.470 -0.000 0.000 0.271 348 S C -0.064 174.559 174.600 0.037 0.000 1.260 348 S CA -0.734 57.462 58.200 -0.006 0.000 1.010 348 S CB 1.312 64.544 63.200 0.052 0.000 0.965 348 S HN 0.307 nan 8.310 nan 0.000 0.534 349 Q N 0.351 120.173 119.800 0.037 0.000 2.260 349 Q HA 0.288 4.628 4.340 -0.000 0.000 0.238 349 Q C -0.316 175.741 176.000 0.095 0.000 0.948 349 Q CA -0.482 55.352 55.803 0.050 0.000 0.895 349 Q CB 0.623 29.370 28.738 0.014 0.000 1.218 349 Q HN 0.787 nan 8.270 nan 0.000 0.470 350 K N 0.176 120.630 120.400 0.089 0.000 3.048 350 K HA -0.235 4.085 4.320 -0.000 0.000 0.274 350 K C -0.269 176.406 176.600 0.125 0.000 1.098 350 K CA 0.394 56.731 56.287 0.083 0.000 0.807 350 K CB -1.523 31.006 32.500 0.049 0.000 1.217 350 K HN 0.448 nan 8.250 nan 0.000 0.477 351 F N 1.204 121.166 119.950 0.020 0.000 2.629 351 F HA 0.035 4.562 4.527 -0.000 0.000 0.369 351 F C 0.495 176.313 175.800 0.030 0.000 1.125 351 F CA 0.733 58.751 58.000 0.030 0.000 1.330 351 F CB 0.521 39.540 39.000 0.032 0.000 1.071 351 F HN 0.069 nan 8.300 nan 0.000 0.595 352 T N 4.393 118.429 114.554 -0.864 0.000 2.971 352 T HA 0.202 4.552 4.350 -0.000 0.000 0.304 352 T C -1.450 172.639 174.700 -1.018 0.000 1.038 352 T CA -0.882 60.779 62.100 -0.731 0.000 1.007 352 T CB 1.400 70.084 68.868 -0.307 0.000 1.055 352 T HN 0.514 nan 8.240 nan 0.000 0.451 353 D N 2.624 122.602 120.400 -0.704 0.000 2.380 353 D HA 0.284 4.924 4.640 -0.000 0.000 0.230 353 D C 1.301 177.533 176.300 -0.113 0.000 1.154 353 D CA -0.694 53.090 54.000 -0.360 0.000 0.859 353 D CB 0.474 41.235 40.800 -0.066 0.000 1.045 353 D HN 0.451 nan 8.370 nan 0.000 0.495 354 L N 2.694 123.891 121.223 -0.042 0.000 2.021 354 L HA -0.209 4.130 4.340 -0.000 0.000 0.215 354 L C 1.209 177.938 176.870 -0.236 0.000 1.074 354 L CA 1.183 55.938 54.840 -0.141 0.000 0.760 354 L CB -0.400 41.559 42.059 -0.166 0.000 0.889 354 L HN 0.468 nan 8.230 nan 0.000 0.433 355 F N -0.664 119.323 119.950 0.060 0.000 2.730 355 F HA 0.097 4.623 4.527 -0.000 0.000 0.295 355 F C 1.859 177.632 175.800 -0.046 0.000 1.143 355 F CA -0.267 57.730 58.000 -0.006 0.000 1.367 355 F CB -0.519 38.486 39.000 0.008 0.000 0.970 355 F HN 0.044 nan 8.300 nan 0.000 0.514 356 E N 1.134 121.400 120.200 0.110 0.000 2.070 356 E HA -0.267 4.083 4.350 -0.000 0.000 0.197 356 E C 1.944 178.582 176.600 0.063 0.000 1.004 356 E CA 1.709 58.152 56.400 0.072 0.000 0.805 356 E CB 0.175 29.893 29.700 0.030 0.000 0.744 356 E HN -0.023 nan 8.360 nan 0.000 0.451 357 K N 0.228 120.679 120.400 0.085 0.000 2.280 357 K HA -0.017 4.303 4.320 -0.000 0.000 0.202 357 K C 0.734 177.412 176.600 0.131 0.000 1.047 357 K CA 0.586 56.950 56.287 0.129 0.000 0.942 357 K CB -0.320 32.299 32.500 0.199 0.000 0.739 357 K HN 0.318 nan 8.250 nan 0.000 0.457 358 M N 1.576 121.151 119.600 -0.042 0.000 2.268 358 M HA -0.005 4.475 4.480 -0.000 0.000 0.349 358 M C -0.779 175.506 176.300 -0.026 0.000 1.485 358 M CA -0.061 55.114 55.300 -0.209 0.000 1.094 358 M CB 0.490 32.756 32.600 -0.557 0.000 1.843 358 M HN -0.254 nan 8.290 nan 0.000 0.460 359 V N 8.672 128.641 119.914 0.090 0.000 2.585 359 V HA 0.143 4.263 4.120 -0.000 0.000 0.296 359 V C -1.956 174.147 176.094 0.014 0.000 1.035 359 V CA -1.169 61.182 62.300 0.085 0.000 1.084 359 V CB -0.045 31.872 31.823 0.158 0.000 0.953 359 V HN 0.770 nan 8.190 nan 0.000 0.483 360 P HA 0.071 nan 4.420 nan 0.000 0.268 360 P C 1.015 178.290 177.300 -0.041 0.000 1.208 360 P CA -0.052 63.024 63.100 -0.040 0.000 0.777 360 P CB 0.580 32.269 31.700 -0.017 0.000 0.875 361 V N 1.697 121.569 119.914 -0.071 0.000 2.407 361 V HA -0.239 3.881 4.120 -0.000 0.000 0.248 361 V C 2.479 178.533 176.094 -0.067 0.000 1.055 361 V CA 2.541 64.804 62.300 -0.062 0.000 1.049 361 V CB -1.034 30.722 31.823 -0.112 0.000 0.662 361 V HN 0.695 nan 8.190 nan 0.000 0.455 362 S N -0.599 115.059 115.700 -0.070 0.000 2.392 362 S HA -0.214 4.256 4.470 -0.000 0.000 0.232 362 S C 1.893 176.403 174.600 -0.149 0.000 1.041 362 S CA 2.098 60.246 58.200 -0.086 0.000 1.026 362 S CB -0.181 62.987 63.200 -0.053 0.000 0.845 362 S HN 0.373 nan 8.310 nan 0.000 0.465 363 V N 0.716 120.562 119.914 -0.113 0.000 2.302 363 V HA -0.077 4.043 4.120 -0.000 0.000 0.243 363 V C 2.555 178.550 176.094 -0.166 0.000 1.036 363 V CA 1.739 63.947 62.300 -0.153 0.000 1.020 363 V CB -0.869 30.959 31.823 0.009 0.000 0.657 363 V HN 0.351 nan 8.190 nan 0.000 0.453 364 Q N 0.143 119.900 119.800 -0.072 0.000 2.012 364 Q HA -0.304 4.036 4.340 -0.000 0.000 0.211 364 Q C 2.277 178.233 176.000 -0.074 0.000 1.009 364 Q CA 2.408 58.182 55.803 -0.047 0.000 0.866 364 Q CB -0.547 28.178 28.738 -0.023 0.000 0.945 364 Q HN 0.649 nan 8.270 nan 0.000 0.414 365 Q N -0.820 118.927 119.800 -0.088 0.000 2.045 365 Q HA -0.189 4.151 4.340 -0.000 0.000 0.206 365 Q C 2.224 178.143 176.000 -0.136 0.000 0.991 365 Q CA 1.933 57.684 55.803 -0.087 0.000 0.851 365 Q CB -0.191 28.499 28.738 -0.079 0.000 0.911 365 Q HN 0.311 nan 8.270 nan 0.000 0.418 366 S N 0.564 116.087 115.700 -0.294 0.000 2.359 366 S HA -0.159 4.311 4.470 -0.000 0.000 0.224 366 S C 1.759 176.140 174.600 -0.366 0.000 1.035 366 S CA 0.951 58.835 58.200 -0.526 0.000 1.018 366 S CB -0.302 62.163 63.200 -1.225 0.000 0.876 366 S HN 0.203 nan 8.310 nan 0.000 0.448 367 L N 1.560 122.627 121.223 -0.260 0.000 2.083 367 L HA 0.027 4.367 4.340 -0.000 0.000 0.209 367 L C 2.413 179.414 176.870 0.218 0.000 1.083 367 L CA 1.627 56.571 54.840 0.174 0.000 0.752 367 L CB -1.269 40.889 42.059 0.165 0.000 0.899 367 L HN 0.282 nan 8.230 nan 0.000 0.433 368 A N -0.972 121.902 122.820 0.090 0.000 1.855 368 A HA -0.052 4.268 4.320 -0.000 0.000 0.215 368 A C 2.416 180.056 177.584 0.092 0.000 1.191 368 A CA 1.548 53.634 52.037 0.083 0.000 0.613 368 A CB -1.051 17.966 19.000 0.029 0.000 0.829 368 A HN 0.434 nan 8.150 nan 0.000 0.442 369 A N -1.498 121.364 122.820 0.070 0.000 2.019 369 A HA -0.113 4.207 4.320 -0.000 0.000 0.219 369 A C 2.072 179.737 177.584 0.134 0.000 1.164 369 A CA 1.686 53.764 52.037 0.070 0.000 0.644 369 A CB -0.796 18.227 19.000 0.038 0.000 0.805 369 A HN 0.804 nan 8.150 nan 0.000 0.449 370 Y N 1.191 121.555 120.300 0.107 0.000 2.145 370 Y HA -0.241 4.309 4.550 -0.000 0.000 0.286 370 Y C 2.022 177.988 175.900 0.110 0.000 1.145 370 Y CA 2.212 60.413 58.100 0.168 0.000 1.148 370 Y CB -0.536 38.117 38.460 0.321 0.000 0.981 370 Y HN 0.351 nan 8.280 nan 0.000 0.507 371 N N 0.008 118.717 118.700 0.016 0.000 2.223 371 N HA -0.185 4.555 4.740 -0.000 0.000 0.185 371 N C 1.740 177.173 175.510 -0.128 0.000 1.016 371 N CA 1.321 54.306 53.050 -0.109 0.000 0.863 371 N CB -0.331 38.189 38.487 0.055 0.000 0.983 371 N HN 0.420 nan 8.380 nan 0.000 0.429 372 Q N 0.546 120.306 119.800 -0.067 0.000 2.297 372 Q HA 0.088 4.428 4.340 -0.000 0.000 0.204 372 Q C 1.493 177.436 176.000 -0.096 0.000 0.962 372 Q CA 1.284 57.049 55.803 -0.063 0.000 0.879 372 Q CB 0.154 28.876 28.738 -0.026 0.000 0.947 372 Q HN 0.274 nan 8.270 nan 0.000 0.462 373 R N -0.599 119.826 120.500 -0.125 0.000 2.140 373 R HA 0.056 4.396 4.340 -0.000 0.000 0.213 373 R C 2.122 178.278 176.300 -0.240 0.000 1.059 373 R CA 0.988 57.005 56.100 -0.138 0.000 1.000 373 R CB -0.101 30.154 30.300 -0.076 0.000 0.910 373 R HN 0.121 nan 8.270 nan 0.000 0.455 374 K N 1.129 121.298 120.400 -0.385 0.000 2.057 374 K HA -0.073 4.247 4.320 -0.000 0.000 0.206 374 K C 2.002 178.400 176.600 -0.336 0.000 1.050 374 K CA 1.403 57.408 56.287 -0.470 0.000 0.935 374 K CB -0.070 32.087 32.500 -0.570 0.000 0.715 374 K HN 0.128 nan 8.250 nan 0.000 0.439 375 A N 1.780 124.466 122.820 -0.225 0.000 1.883 375 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 375 A C 1.765 179.270 177.584 -0.133 0.000 1.186 375 A CA 2.035 53.984 52.037 -0.146 0.000 0.624 375 A CB -0.665 18.278 19.000 -0.095 0.000 0.822 375 A HN 0.411 nan 8.150 nan 0.000 0.444 376 D N -0.341 119.983 120.400 -0.127 0.000 2.087 376 D HA -0.152 4.488 4.640 -0.000 0.000 0.192 376 D C 1.934 178.163 176.300 -0.118 0.000 0.993 376 D CA 1.364 55.303 54.000 -0.101 0.000 0.828 376 D CB -0.541 40.210 40.800 -0.082 0.000 0.968 376 D HN 0.378 nan 8.370 nan 0.000 0.448 377 L N 0.331 121.457 121.223 -0.162 0.000 2.081 377 L HA -0.181 4.159 4.340 -0.000 0.000 0.212 377 L C 2.350 179.111 176.870 -0.182 0.000 1.080 377 L CA 1.132 55.864 54.840 -0.179 0.000 0.754 377 L CB -0.039 41.866 42.059 -0.256 0.000 0.893 377 L HN -0.056 nan 8.230 nan 0.000 0.433 378 V N -0.338 119.448 119.914 -0.213 0.000 2.446 378 V HA -0.172 3.948 4.120 -0.000 0.000 0.244 378 V C 2.135 178.180 176.094 -0.081 0.000 1.039 378 V CA 1.800 64.009 62.300 -0.153 0.000 1.045 378 V CB -0.376 31.352 31.823 -0.159 0.000 0.681 378 V HN 0.553 nan 8.190 nan 0.000 0.459 379 N N 0.380 119.033 118.700 -0.078 0.000 2.142 379 N HA -0.155 4.585 4.740 -0.000 0.000 0.186 379 N C 1.884 177.366 175.510 -0.047 0.000 1.023 379 N CA 1.512 54.530 53.050 -0.052 0.000 0.852 379 N CB -0.541 37.916 38.487 -0.050 0.000 0.998 379 N HN 0.404 nan 8.380 nan 0.000 0.424 380 R N 0.909 121.376 120.500 -0.055 0.000 2.196 380 R HA -0.158 4.182 4.340 -0.000 0.000 0.244 380 R C 2.248 178.527 176.300 -0.035 0.000 1.121 380 R CA 2.427 58.500 56.100 -0.046 0.000 0.930 380 R CB -0.361 29.906 30.300 -0.055 0.000 0.890 380 R HN 0.147 nan 8.270 nan 0.000 0.435 381 S N -0.210 115.468 115.700 -0.037 0.000 2.383 381 S HA -0.063 4.407 4.470 -0.000 0.000 0.227 381 S C 1.830 176.421 174.600 -0.014 0.000 1.026 381 S CA 0.994 59.181 58.200 -0.021 0.000 0.981 381 S CB -0.144 63.048 63.200 -0.015 0.000 0.818 381 S HN 0.214 nan 8.310 nan 0.000 0.472 382 I N 2.039 122.598 120.570 -0.018 0.000 2.163 382 I HA -0.090 4.080 4.170 -0.000 0.000 0.240 382 I C 2.739 178.847 176.117 -0.015 0.000 1.081 382 I CA 1.219 62.512 61.300 -0.013 0.000 1.353 382 I CB -1.803 36.188 38.000 -0.014 0.000 1.054 382 I HN 0.231 nan 8.210 nan 0.000 0.407 383 A N 0.082 122.889 122.820 -0.021 0.000 1.902 383 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 383 A C 2.283 179.856 177.584 -0.018 0.000 1.181 383 A CA 1.376 53.401 52.037 -0.021 0.000 0.623 383 A CB -0.674 18.311 19.000 -0.025 0.000 0.818 383 A HN 0.483 nan 8.150 nan 0.000 0.443 384 Q N -1.062 118.728 119.800 -0.016 0.000 2.077 384 Q HA -0.218 4.122 4.340 -0.000 0.000 0.206 384 Q C 2.231 178.225 176.000 -0.009 0.000 0.989 384 Q CA 2.086 57.882 55.803 -0.013 0.000 0.853 384 Q CB -0.267 28.464 28.738 -0.012 0.000 0.907 384 Q HN 0.743 nan 8.270 nan 0.000 0.418 385 M N -0.454 119.142 119.600 -0.007 0.000 2.086 385 M HA -0.172 4.308 4.480 -0.000 0.000 0.261 385 M C 2.173 178.470 176.300 -0.005 0.000 1.067 385 M CA 1.438 56.735 55.300 -0.004 0.000 1.116 385 M CB -0.159 32.441 32.600 -0.000 0.000 1.348 385 M HN 0.081 nan 8.290 nan 0.000 0.407 386 R N 0.213 120.707 120.500 -0.009 0.000 2.081 386 R HA -0.154 4.186 4.340 -0.000 0.000 0.235 386 R C 2.036 178.328 176.300 -0.013 0.000 1.131 386 R CA 1.610 57.703 56.100 -0.012 0.000 0.960 386 R CB -0.482 29.808 30.300 -0.017 0.000 0.856 386 R HN 0.494 nan 8.270 nan 0.000 0.436 387 E N 0.351 120.543 120.200 -0.014 0.000 2.097 387 E HA -0.213 4.137 4.350 -0.000 0.000 0.196 387 E C 2.002 178.596 176.600 -0.010 0.000 1.000 387 E CA 1.526 57.918 56.400 -0.013 0.000 0.804 387 E CB -0.118 29.574 29.700 -0.013 0.000 0.740 387 E HN 0.363 nan 8.360 nan 0.000 0.454 388 A N 0.414 123.230 122.820 -0.008 0.000 1.858 388 A HA -0.199 4.120 4.320 -0.000 0.000 0.216 388 A C 2.411 179.992 177.584 -0.004 0.000 1.190 388 A CA 2.048 54.082 52.037 -0.005 0.000 0.617 388 A CB -1.032 17.966 19.000 -0.003 0.000 0.827 388 A HN 0.217 nan 8.150 nan 0.000 0.443 389 T N -0.032 114.521 114.554 -0.002 0.000 2.759 389 T HA -0.132 4.218 4.350 -0.000 0.000 0.269 389 T C 1.978 176.677 174.700 -0.001 0.000 1.042 389 T CA 1.941 64.042 62.100 0.001 0.000 1.140 389 T CB -0.580 68.291 68.868 0.004 0.000 0.864 389 T HN 0.589 nan 8.240 nan 0.000 0.455 390 T N 2.175 116.725 114.554 -0.007 0.000 2.684 390 T HA -0.020 4.330 4.350 -0.000 0.000 0.267 390 T C 1.903 176.598 174.700 -0.008 0.000 1.036 390 T CA 1.018 63.111 62.100 -0.011 0.000 1.148 390 T CB -0.458 68.400 68.868 -0.017 0.000 0.863 390 T HN 0.265 nan 8.240 nan 0.000 0.436 391 L N 0.409 121.627 121.223 -0.008 0.000 2.156 391 L HA 0.063 4.403 4.340 -0.000 0.000 0.208 391 L C 2.596 179.462 176.870 -0.007 0.000 1.095 391 L CA 1.143 55.978 54.840 -0.007 0.000 0.770 391 L CB -0.446 41.609 42.059 -0.007 0.000 0.914 391 L HN 0.255 nan 8.230 nan 0.000 0.439 392 A N 0.004 122.821 122.820 -0.005 0.000 1.897 392 A HA -0.184 4.136 4.320 -0.000 0.000 0.215 392 A C 1.966 179.547 177.584 -0.005 0.000 1.181 392 A CA 1.640 53.673 52.037 -0.006 0.000 0.620 392 A CB -0.634 18.364 19.000 -0.003 0.000 0.821 392 A HN 0.538 nan 8.150 nan 0.000 0.443 393 N N 0.382 119.083 118.700 0.003 0.000 2.166 393 N HA -0.121 4.619 4.740 -0.000 0.000 0.186 393 N C 1.813 177.325 175.510 0.003 0.000 1.019 393 N CA 1.494 54.551 53.050 0.012 0.000 0.856 393 N CB -0.783 37.719 38.487 0.025 0.000 0.993 393 N HN 0.482 nan 8.380 nan 0.000 0.426 394 G N 0.579 109.377 108.800 -0.004 0.000 2.422 394 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.218 394 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.218 394 G C 1.727 176.618 174.900 -0.014 0.000 1.146 394 G CA 0.605 45.701 45.100 -0.007 0.000 0.769 394 G HN 0.195 nan 8.290 nan 0.000 0.547 395 V N 0.956 120.858 119.914 -0.020 0.000 2.323 395 V HA -0.054 4.066 4.120 -0.000 0.000 0.244 395 V C 2.882 178.943 176.094 -0.055 0.000 1.041 395 V CA 1.208 63.487 62.300 -0.035 0.000 1.025 395 V CB -0.373 31.431 31.823 -0.033 0.000 0.656 395 V HN 0.336 nan 8.190 nan 0.000 0.451 396 L N 0.094 121.290 121.223 -0.045 0.000 2.131 396 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 396 L C 2.691 179.532 176.870 -0.048 0.000 1.092 396 L CA 1.501 56.308 54.840 -0.055 0.000 0.759 396 L CB -0.864 41.175 42.059 -0.034 0.000 0.903 396 L HN 0.382 nan 8.230 nan 0.000 0.435 397 A N 0.497 123.302 122.820 -0.024 0.000 1.855 397 A HA -0.192 4.128 4.320 -0.000 0.000 0.215 397 A C 2.422 179.995 177.584 -0.018 0.000 1.191 397 A CA 1.690 53.721 52.037 -0.010 0.000 0.613 397 A CB -0.806 18.197 19.000 0.006 0.000 0.829 397 A HN 0.481 nan 8.150 nan 0.000 0.442 398 S N -0.760 114.924 115.700 -0.025 0.000 2.584 398 S HA 0.084 4.554 4.470 -0.000 0.000 0.240 398 S C 0.869 175.435 174.600 -0.055 0.000 0.975 398 S CA 1.286 59.471 58.200 -0.025 0.000 0.949 398 S CB -0.457 62.730 63.200 -0.022 0.000 0.761 398 S HN 0.422 nan 8.310 nan 0.000 0.536 399 L N 0.147 121.311 121.223 -0.098 0.000 3.410 399 L HA 0.386 4.726 4.340 -0.000 0.000 0.309 399 L C 0.399 177.212 176.870 -0.095 0.000 1.254 399 L CA -0.206 54.514 54.840 -0.200 0.000 1.048 399 L CB -0.250 41.521 42.059 -0.479 0.000 1.442 399 L HN 0.261 nan 8.230 nan 0.000 0.615 400 N N 1.573 120.256 118.700 -0.028 0.000 2.754 400 N HA -0.192 4.548 4.740 -0.000 0.000 0.248 400 N C -1.101 174.406 175.510 -0.004 0.000 1.093 400 N CA 0.813 53.871 53.050 0.013 0.000 0.699 400 N CB -1.148 37.380 38.487 0.068 0.000 1.016 400 N HN 0.385 nan 8.380 nan 0.000 0.552 401 L N -0.185 121.014 121.223 -0.040 0.000 2.381 401 L HA 0.548 4.888 4.340 -0.000 0.000 0.268 401 L C -1.245 175.597 176.870 -0.048 0.000 0.997 401 L CA -1.682 53.125 54.840 -0.056 0.000 0.818 401 L CB 1.914 43.922 42.059 -0.084 0.000 1.310 401 L HN -0.126 nan 8.230 nan 0.000 0.416 402 P HA -0.012 nan 4.420 nan 0.000 0.245 402 P C 1.002 178.271 177.300 -0.052 0.000 1.212 402 P CA 0.379 63.442 63.100 -0.061 0.000 0.774 402 P CB 0.537 32.202 31.700 -0.059 0.000 0.999 403 A N 1.859 124.658 122.820 -0.035 0.000 1.859 403 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 403 A C 2.511 180.097 177.584 0.002 0.000 1.198 403 A CA 2.616 54.644 52.037 -0.016 0.000 0.629 403 A CB -1.639 17.359 19.000 -0.004 0.000 0.830 403 A HN 0.248 nan 8.150 nan 0.000 0.446 404 A N 0.462 123.295 122.820 0.023 0.000 1.896 404 A HA -0.210 4.110 4.320 -0.000 0.000 0.220 404 A C 1.976 179.601 177.584 0.068 0.000 1.206 404 A CA 2.104 54.191 52.037 0.084 0.000 0.647 404 A CB -1.104 17.996 19.000 0.167 0.000 0.828 404 A HN 1.134 nan 8.150 nan 0.000 0.455 405 I N -3.420 117.115 120.570 -0.058 0.000 3.550 405 I HA 0.098 4.268 4.170 -0.000 0.000 0.295 405 I C 0.994 177.102 176.117 -0.015 0.000 1.291 405 I CA 1.119 62.374 61.300 -0.074 0.000 1.298 405 I CB -0.181 37.687 38.000 -0.221 0.000 1.026 405 I HN 0.254 nan 8.210 nan 0.000 0.491 406 E N 0.364 120.563 120.200 -0.002 0.000 2.562 406 E HA 0.051 4.401 4.350 -0.000 0.000 0.214 406 E C -0.128 176.481 176.600 0.015 0.000 0.979 406 E CA -0.072 56.328 56.400 -0.000 0.000 1.002 406 E CB 0.409 30.099 29.700 -0.017 0.000 1.048 406 E HN 0.283 nan 8.360 nan 0.000 0.488 407 D N 1.466 121.887 120.400 0.036 0.000 2.631 407 D HA 0.012 4.652 4.640 -0.000 0.000 0.227 407 D C 1.330 177.655 176.300 0.043 0.000 1.146 407 D CA -0.185 53.839 54.000 0.040 0.000 1.009 407 D CB 0.388 41.222 40.800 0.056 0.000 1.057 407 D HN -0.097 nan 8.370 nan 0.000 0.509 408 V N 1.180 121.112 119.914 0.029 0.000 2.217 408 V HA -0.218 3.902 4.120 -0.000 0.000 0.248 408 V C 1.526 177.634 176.094 0.024 0.000 1.050 408 V CA 1.841 64.156 62.300 0.026 0.000 1.007 408 V CB -1.552 30.280 31.823 0.016 0.000 0.639 408 V HN 0.501 nan 8.190 nan 0.000 0.452 409 S N 0.562 116.273 115.700 0.017 0.000 2.495 409 S HA 0.614 5.084 4.470 -0.000 0.000 0.273 409 S C 0.859 175.469 174.600 0.018 0.000 1.156 409 S CA -0.022 58.187 58.200 0.015 0.000 1.032 409 S CB 0.844 64.050 63.200 0.010 0.000 1.160 409 S HN 0.870 nan 8.310 nan 0.000 0.489 410 G N -0.718 108.091 108.800 0.014 0.000 4.291 410 G HA2 0.305 4.265 3.960 -0.000 0.000 0.304 410 G HA3 0.305 4.265 3.960 -0.000 0.000 0.304 410 G C -0.121 174.785 174.900 0.010 0.000 1.264 410 G CA -0.215 44.894 45.100 0.014 0.000 1.039 410 G HN 0.605 nan 8.290 nan 0.000 0.578 411 D N 0.203 120.608 120.400 0.008 0.000 2.454 411 D HA 0.069 4.709 4.640 -0.000 0.000 0.219 411 D C 1.264 177.566 176.300 0.003 0.000 1.081 411 D CA 0.872 54.875 54.000 0.005 0.000 0.867 411 D CB 1.220 42.022 40.800 0.004 0.000 1.054 411 D HN 0.389 nan 8.370 nan 0.000 0.500 412 T N -2.649 111.907 114.554 0.003 0.000 2.864 412 T HA 0.533 4.883 4.350 -0.000 0.000 0.289 412 T C -0.278 174.421 174.700 -0.002 0.000 1.082 412 T CA -0.749 61.351 62.100 -0.000 0.000 1.009 412 T CB 1.782 70.649 68.868 -0.001 0.000 1.234 412 T HN -0.265 nan 8.240 nan 0.000 0.526 413 V N 3.079 122.989 119.914 -0.007 0.000 2.405 413 V HA 0.307 4.427 4.120 -0.000 0.000 0.264 413 V C -2.104 173.981 176.094 -0.015 0.000 1.048 413 V CA -1.380 60.913 62.300 -0.011 0.000 0.966 413 V CB 0.084 31.897 31.823 -0.017 0.000 1.015 413 V HN 0.765 nan 8.190 nan 0.000 0.477 414 P HA -0.045 nan 4.420 nan 0.000 0.263 414 P C 0.708 177.990 177.300 -0.031 0.000 1.175 414 P CA 0.227 63.317 63.100 -0.017 0.000 0.761 414 P CB 0.551 32.243 31.700 -0.014 0.000 0.794 415 Q N 3.745 123.526 119.800 -0.032 0.000 2.112 415 Q HA -0.238 4.102 4.340 -0.000 0.000 0.206 415 Q C 1.781 177.745 176.000 -0.060 0.000 0.987 415 Q CA 2.699 58.478 55.803 -0.040 0.000 0.858 415 Q CB -0.899 27.819 28.738 -0.033 0.000 0.905 415 Q HN 0.557 nan 8.270 nan 0.000 0.420 416 S N -0.898 114.762 115.700 -0.067 0.000 2.368 416 S HA -0.134 4.336 4.470 -0.000 0.000 0.224 416 S C 1.962 176.482 174.600 -0.133 0.000 1.029 416 S CA 1.114 59.255 58.200 -0.099 0.000 0.988 416 S CB -0.565 62.581 63.200 -0.090 0.000 0.838 416 S HN 0.348 nan 8.310 nan 0.000 0.462 417 I N 1.523 122.033 120.570 -0.100 0.000 2.179 417 I HA -0.098 4.072 4.170 -0.000 0.000 0.242 417 I C 2.367 178.422 176.117 -0.103 0.000 1.088 417 I CA 0.830 62.069 61.300 -0.101 0.000 1.357 417 I CB -0.519 37.447 38.000 -0.056 0.000 1.051 417 I HN 0.266 nan 8.210 nan 0.000 0.409 418 L N -0.311 120.865 121.223 -0.078 0.000 2.083 418 L HA -0.205 4.135 4.340 -0.000 0.000 0.209 418 L C 2.426 179.245 176.870 -0.085 0.000 1.083 418 L CA 2.051 56.850 54.840 -0.067 0.000 0.752 418 L CB -1.053 40.977 42.059 -0.047 0.000 0.899 418 L HN 0.226 nan 8.230 nan 0.000 0.433 419 T N -0.435 114.055 114.554 -0.105 0.000 2.674 419 T HA -0.193 4.156 4.350 -0.000 0.000 0.265 419 T C 1.884 176.483 174.700 -0.169 0.000 1.039 419 T CA 1.814 63.844 62.100 -0.116 0.000 1.150 419 T CB -0.100 68.700 68.868 -0.114 0.000 0.864 419 T HN 0.329 nan 8.240 nan 0.000 0.427 420 K N 1.016 121.240 120.400 -0.294 0.000 2.063 420 K HA -0.095 4.225 4.320 -0.000 0.000 0.208 420 K C 2.708 179.197 176.600 -0.186 0.000 1.048 420 K CA 1.427 57.413 56.287 -0.502 0.000 0.928 420 K CB -0.348 31.632 32.500 -0.867 0.000 0.713 420 K HN 0.193 nan 8.250 nan 0.000 0.442 421 S N 0.911 116.535 115.700 -0.128 0.000 2.359 421 S HA -0.192 4.278 4.470 -0.000 0.000 0.223 421 S C 1.979 176.537 174.600 -0.069 0.000 1.039 421 S CA 1.387 59.541 58.200 -0.077 0.000 1.042 421 S CB -0.082 63.079 63.200 -0.065 0.000 0.915 421 S HN 0.234 nan 8.310 nan 0.000 0.439 422 R N 0.607 121.071 120.500 -0.060 0.000 2.115 422 R HA -0.040 4.300 4.340 -0.000 0.000 0.230 422 R C 2.843 179.130 176.300 -0.022 0.000 1.111 422 R CA 1.436 57.512 56.100 -0.040 0.000 0.976 422 R CB -0.440 29.840 30.300 -0.033 0.000 0.870 422 R HN 0.682 nan 8.270 nan 0.000 0.445 423 S N 0.183 115.880 115.700 -0.006 0.000 2.383 423 S HA -0.086 4.384 4.470 -0.000 0.000 0.227 423 S C 2.070 176.694 174.600 0.041 0.000 1.026 423 S CA 1.238 59.471 58.200 0.055 0.000 0.981 423 S CB -0.296 62.984 63.200 0.133 0.000 0.818 423 S HN 0.068 nan 8.310 nan 0.000 0.472 424 V N 2.138 122.025 119.914 -0.046 0.000 2.307 424 V HA -0.089 4.031 4.120 -0.000 0.000 0.245 424 V C 2.496 178.461 176.094 -0.215 0.000 1.045 424 V CA 1.876 63.987 62.300 -0.314 0.000 1.024 424 V CB -0.844 30.637 31.823 -0.570 0.000 0.651 424 V HN 0.498 nan 8.190 nan 0.000 0.449 425 I N -0.087 120.411 120.570 -0.121 0.000 2.286 425 I HA -0.231 3.939 4.170 -0.000 0.000 0.248 425 I C 2.615 178.722 176.117 -0.015 0.000 1.115 425 I CA 1.743 63.006 61.300 -0.062 0.000 1.392 425 I CB -0.392 37.582 38.000 -0.043 0.000 1.065 425 I HN 0.360 nan 8.210 nan 0.000 0.418 426 E N 0.854 121.053 120.200 -0.001 0.000 2.107 426 E HA -0.221 4.129 4.350 -0.000 0.000 0.191 426 E C 1.847 178.478 176.600 0.051 0.000 0.982 426 E CA 0.923 57.337 56.400 0.024 0.000 0.809 426 E CB 0.077 29.793 29.700 0.027 0.000 0.756 426 E HN 0.564 nan 8.360 nan 0.000 0.459 427 Q N -1.149 118.698 119.800 0.078 0.000 2.466 427 Q HA 0.040 4.380 4.340 -0.000 0.000 0.210 427 Q C 0.824 176.918 176.000 0.157 0.000 0.961 427 Q CA 0.441 56.326 55.803 0.137 0.000 0.953 427 Q CB 0.608 29.492 28.738 0.242 0.000 1.011 427 Q HN 0.474 nan 8.270 nan 0.000 0.516 428 G N -1.089 107.774 108.800 0.105 0.000 2.218 428 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.216 428 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.216 428 G C 0.557 175.521 174.900 0.107 0.000 0.994 428 G CA -0.429 44.733 45.100 0.104 0.000 0.637 428 G HN 0.786 nan 8.290 nan 0.000 0.505 429 G N -0.358 108.496 108.800 0.090 0.000 2.553 429 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.242 429 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.242 429 G C 0.874 175.910 174.900 0.226 0.000 1.277 429 G CA 0.510 45.625 45.100 0.026 0.000 0.910 429 G HN 1.359 nan 8.290 nan 0.000 0.576 430 I N 0.819 121.496 120.570 0.179 0.000 2.493 430 I HA -0.036 4.134 4.170 -0.000 0.000 0.254 430 I C 2.744 178.985 176.117 0.207 0.000 1.160 430 I CA 2.524 63.976 61.300 0.253 0.000 1.445 430 I CB -0.354 37.751 38.000 0.175 0.000 1.086 430 I HN 0.718 nan 8.210 nan 0.000 0.433 431 Q N 0.452 120.340 119.800 0.146 0.000 2.112 431 Q HA -0.230 4.110 4.340 -0.000 0.000 0.206 431 Q C 2.032 178.092 176.000 0.101 0.000 0.987 431 Q CA 3.096 58.964 55.803 0.107 0.000 0.858 431 Q CB -1.062 27.723 28.738 0.078 0.000 0.905 431 Q HN 0.600 nan 8.270 nan 0.000 0.420 432 T N -1.726 112.907 114.554 0.132 0.000 2.788 432 T HA -0.080 4.270 4.350 -0.000 0.000 0.268 432 T C 1.872 176.591 174.700 0.032 0.000 1.044 432 T CA 1.312 63.467 62.100 0.092 0.000 1.139 432 T CB -0.617 68.329 68.868 0.130 0.000 0.867 432 T HN 0.111 nan 8.240 nan 0.000 0.454 433 V N 2.061 122.013 119.914 0.064 0.000 2.407 433 V HA -0.093 4.027 4.120 -0.000 0.000 0.245 433 V C 2.532 178.590 176.094 -0.061 0.000 1.041 433 V CA 1.563 63.848 62.300 -0.025 0.000 1.040 433 V CB -0.534 31.316 31.823 0.044 0.000 0.671 433 V HN 0.385 nan 8.190 nan 0.000 0.455 434 D N -0.399 120.035 120.400 0.056 0.000 2.144 434 D HA -0.190 4.450 4.640 -0.000 0.000 0.199 434 D C 2.175 178.453 176.300 -0.036 0.000 0.984 434 D CA 1.239 55.260 54.000 0.035 0.000 0.834 434 D CB -0.066 40.813 40.800 0.133 0.000 0.955 434 D HN 0.449 nan 8.370 nan 0.000 0.465 435 Q N 0.071 119.864 119.800 -0.013 0.000 2.083 435 Q HA -0.057 4.283 4.340 -0.000 0.000 0.198 435 Q C 2.495 178.466 176.000 -0.049 0.000 0.969 435 Q CA 0.536 56.328 55.803 -0.019 0.000 0.838 435 Q CB 0.014 28.754 28.738 0.002 0.000 0.900 435 Q HN 0.282 nan 8.270 nan 0.000 0.436 436 L N 0.487 121.669 121.223 -0.069 0.000 2.083 436 L HA -0.204 4.136 4.340 -0.000 0.000 0.209 436 L C 2.348 179.146 176.870 -0.120 0.000 1.083 436 L CA 0.574 55.366 54.840 -0.081 0.000 0.752 436 L CB -0.320 41.687 42.059 -0.087 0.000 0.899 436 L HN 0.302 nan 8.230 nan 0.000 0.433 437 I N 0.048 120.489 120.570 -0.215 0.000 2.315 437 I HA -0.264 3.906 4.170 -0.000 0.000 0.248 437 I C 2.553 178.574 176.117 -0.161 0.000 1.117 437 I CA 1.352 62.479 61.300 -0.289 0.000 1.404 437 I CB -0.723 36.868 38.000 -0.682 0.000 1.071 437 I HN 0.354 nan 8.210 nan 0.000 0.419 438 K N 1.159 121.491 120.400 -0.113 0.000 2.057 438 K HA -0.173 4.147 4.320 -0.000 0.000 0.206 438 K C 1.673 178.243 176.600 -0.049 0.000 1.050 438 K CA 1.390 57.642 56.287 -0.058 0.000 0.935 438 K CB 0.125 32.605 32.500 -0.033 0.000 0.715 438 K HN 0.337 nan 8.250 nan 0.000 0.439 439 E N 0.232 120.403 120.200 -0.049 0.000 2.447 439 E HA -0.071 4.279 4.350 -0.000 0.000 0.195 439 E C 1.645 178.216 176.600 -0.048 0.000 1.028 439 E CA -0.132 56.244 56.400 -0.041 0.000 0.876 439 E CB 0.226 29.909 29.700 -0.028 0.000 0.885 439 E HN 0.114 nan 8.360 nan 0.000 0.500 440 L N 1.539 122.736 121.223 -0.042 0.000 2.046 440 L HA -0.081 4.259 4.340 -0.000 0.000 0.208 440 L C -1.019 175.788 176.870 -0.105 0.000 1.077 440 L CA 1.883 56.709 54.840 -0.023 0.000 0.747 440 L CB -0.674 41.397 42.059 0.019 0.000 0.896 440 L HN 0.037 nan 8.230 nan 0.000 0.432 441 P HA -0.086 nan 4.420 nan 0.000 0.226 441 P C 1.065 178.282 177.300 -0.138 0.000 1.153 441 P CA 1.076 64.111 63.100 -0.108 0.000 0.777 441 P CB 0.117 31.782 31.700 -0.058 0.000 0.794 442 E N -0.544 119.583 120.200 -0.122 0.000 2.122 442 E HA 0.008 4.358 4.350 -0.000 0.000 0.190 442 E C 1.802 178.309 176.600 -0.154 0.000 0.977 442 E CA 0.582 56.916 56.400 -0.110 0.000 0.820 442 E CB -0.504 29.154 29.700 -0.071 0.000 0.770 442 E HN 0.209 nan 8.360 nan 0.000 0.462 443 L N 0.749 121.854 121.223 -0.197 0.000 2.201 443 L HA -0.129 4.211 4.340 -0.000 0.000 0.212 443 L C 2.358 178.917 176.870 -0.520 0.000 1.105 443 L CA 0.229 54.919 54.840 -0.250 0.000 0.775 443 L CB -0.265 41.712 42.059 -0.137 0.000 0.913 443 L HN 0.181 nan 8.230 nan 0.000 0.440 444 L N -0.076 120.715 121.223 -0.721 0.000 2.005 444 L HA -0.217 4.123 4.340 -0.000 0.000 0.207 444 L C 2.564 179.258 176.870 -0.293 0.000 1.072 444 L CA 1.795 56.209 54.840 -0.711 0.000 0.744 444 L CB -0.621 41.148 42.059 -0.482 0.000 0.895 444 L HN 0.165 nan 8.230 nan 0.000 0.433 445 Q N -0.064 119.614 119.800 -0.202 0.000 2.170 445 Q HA -0.227 4.113 4.340 -0.000 0.000 0.203 445 Q C 2.437 178.380 176.000 -0.094 0.000 0.976 445 Q CA 1.710 57.445 55.803 -0.113 0.000 0.858 445 Q CB -0.469 28.217 28.738 -0.085 0.000 0.907 445 Q HN 0.500 nan 8.270 nan 0.000 0.433 446 R N -0.269 120.164 120.500 -0.113 0.000 2.148 446 R HA -0.090 4.250 4.340 -0.000 0.000 0.227 446 R C 1.019 177.275 176.300 -0.073 0.000 1.103 446 R CA 1.652 57.703 56.100 -0.082 0.000 0.983 446 R CB -0.109 30.143 30.300 -0.080 0.000 0.874 446 R HN 0.368 nan 8.270 nan 0.000 0.451 447 N N -0.296 118.351 118.700 -0.089 0.000 2.333 447 N HA 0.010 4.750 4.740 -0.000 0.000 0.178 447 N C 1.716 177.201 175.510 -0.043 0.000 1.018 447 N CA 0.483 53.495 53.050 -0.063 0.000 0.882 447 N CB 0.110 38.580 38.487 -0.029 0.000 0.984 447 N HN 0.136 nan 8.380 nan 0.000 0.434 448 R N 0.792 121.270 120.500 -0.036 0.000 2.081 448 R HA -0.097 4.242 4.340 -0.000 0.000 0.235 448 R C 1.706 177.999 176.300 -0.010 0.000 1.131 448 R CA 1.092 57.184 56.100 -0.013 0.000 0.960 448 R CB -0.198 30.095 30.300 -0.012 0.000 0.856 448 R HN 0.274 nan 8.270 nan 0.000 0.436 449 E N 0.707 120.894 120.200 -0.021 0.000 2.070 449 E HA -0.192 4.158 4.350 -0.000 0.000 0.197 449 E C 1.870 178.466 176.600 -0.005 0.000 1.004 449 E CA 1.445 57.837 56.400 -0.014 0.000 0.805 449 E CB -0.096 29.590 29.700 -0.023 0.000 0.744 449 E HN 0.286 nan 8.360 nan 0.000 0.451 450 I N 0.067 120.628 120.570 -0.015 0.000 2.353 450 I HA -0.195 3.975 4.170 -0.000 0.000 0.248 450 I C 2.350 178.484 176.117 0.030 0.000 1.119 450 I CA 0.492 61.789 61.300 -0.005 0.000 1.417 450 I CB -0.081 37.902 38.000 -0.028 0.000 1.078 450 I HN 0.165 nan 8.210 nan 0.000 0.421 451 L N 0.548 121.783 121.223 0.021 0.000 2.056 451 L HA -0.200 4.139 4.340 -0.000 0.000 0.207 451 L C 2.021 178.951 176.870 0.100 0.000 1.078 451 L CA 1.748 56.630 54.840 0.070 0.000 0.749 451 L CB -0.352 41.720 42.059 0.022 0.000 0.901 451 L HN 0.177 nan 8.230 nan 0.000 0.433 452 D N -0.058 120.376 120.400 0.057 0.000 2.097 452 D HA -0.206 4.434 4.640 -0.000 0.000 0.197 452 D C 2.060 178.385 176.300 0.042 0.000 0.984 452 D CA 1.434 55.464 54.000 0.050 0.000 0.826 452 D CB -0.180 40.638 40.800 0.031 0.000 0.973 452 D HN 0.467 nan 8.370 nan 0.000 0.460 453 E N 0.489 120.707 120.200 0.030 0.000 2.160 453 E HA -0.118 4.231 4.350 -0.000 0.000 0.195 453 E C 2.123 178.730 176.600 0.011 0.000 0.991 453 E CA 0.991 57.401 56.400 0.018 0.000 0.810 453 E CB 0.084 29.791 29.700 0.012 0.000 0.742 453 E HN 0.080 nan 8.360 nan 0.000 0.466 454 S N 0.690 116.407 115.700 0.030 0.000 2.345 454 S HA -0.073 4.397 4.470 -0.000 0.000 0.219 454 S C 1.989 176.575 174.600 -0.023 0.000 1.031 454 S CA 0.748 58.943 58.200 -0.009 0.000 0.984 454 S CB -0.131 63.109 63.200 0.068 0.000 0.874 454 S HN 0.177 nan 8.310 nan 0.000 0.451 455 L N 1.016 122.278 121.223 0.065 0.000 2.201 455 L HA 0.009 4.349 4.340 -0.000 0.000 0.212 455 L C 2.656 179.529 176.870 0.006 0.000 1.105 455 L CA 0.855 55.726 54.840 0.052 0.000 0.775 455 L CB -0.397 41.728 42.059 0.110 0.000 0.913 455 L HN 0.217 nan 8.230 nan 0.000 0.440 456 R N 0.645 121.150 120.500 0.008 0.000 2.081 456 R HA -0.155 4.185 4.340 -0.000 0.000 0.235 456 R C 2.336 178.621 176.300 -0.026 0.000 1.131 456 R CA 1.312 57.413 56.100 0.000 0.000 0.960 456 R CB -0.198 30.107 30.300 0.008 0.000 0.856 456 R HN 0.312 nan 8.270 nan 0.000 0.436 457 L N 0.676 121.866 121.223 -0.055 0.000 2.013 457 L HA -0.271 4.068 4.340 -0.000 0.000 0.212 457 L C 2.479 179.264 176.870 -0.141 0.000 1.073 457 L CA 1.517 56.296 54.840 -0.102 0.000 0.753 457 L CB -0.617 41.358 42.059 -0.140 0.000 0.890 457 L HN 0.316 nan 8.230 nan 0.000 0.432 458 L N -0.671 120.445 121.223 -0.179 0.000 2.046 458 L HA -0.223 4.117 4.340 -0.000 0.000 0.208 458 L C 2.354 179.225 176.870 0.002 0.000 1.077 458 L CA 1.137 55.842 54.840 -0.224 0.000 0.747 458 L CB -0.720 41.167 42.059 -0.286 0.000 0.896 458 L HN 0.288 nan 8.230 nan 0.000 0.432 459 D N 0.270 120.676 120.400 0.010 0.000 2.104 459 D HA -0.191 4.449 4.640 -0.000 0.000 0.194 459 D C 2.119 178.443 176.300 0.040 0.000 0.994 459 D CA 1.339 55.365 54.000 0.043 0.000 0.830 459 D CB -0.114 40.705 40.800 0.030 0.000 0.959 459 D HN 0.410 nan 8.370 nan 0.000 0.452 460 E N 0.349 120.557 120.200 0.014 0.000 2.106 460 E HA -0.150 4.200 4.350 -0.000 0.000 0.192 460 E C 1.990 178.600 176.600 0.018 0.000 0.984 460 E CA 0.544 56.950 56.400 0.010 0.000 0.806 460 E CB 0.066 29.764 29.700 -0.003 0.000 0.750 460 E HN 0.178 nan 8.360 nan 0.000 0.458 461 E N 1.327 121.542 120.200 0.025 0.000 2.150 461 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 461 E C 1.847 178.517 176.600 0.117 0.000 0.985 461 E CA 0.865 57.301 56.400 0.060 0.000 0.814 461 E CB 0.126 29.864 29.700 0.064 0.000 0.752 461 E HN 0.298 nan 8.360 nan 0.000 0.466 462 E N -0.192 120.101 120.200 0.155 0.000 2.072 462 E HA -0.135 4.215 4.350 -0.000 0.000 0.191 462 E C 1.920 178.557 176.600 0.062 0.000 0.985 462 E CA 0.922 57.396 56.400 0.123 0.000 0.801 462 E CB -0.033 29.760 29.700 0.154 0.000 0.750 462 E HN 0.236 nan 8.360 nan 0.000 0.452 463 A N 0.607 123.454 122.820 0.045 0.000 1.898 463 A HA -0.188 4.131 4.320 -0.000 0.000 0.216 463 A C 2.457 180.039 177.584 -0.003 0.000 1.181 463 A CA 2.332 54.381 52.037 0.019 0.000 0.620 463 A CB -1.185 17.823 19.000 0.014 0.000 0.819 463 A HN 0.514 nan 8.150 nan 0.000 0.442 464 T N -1.970 112.579 114.554 -0.009 0.000 2.821 464 T HA -0.174 4.176 4.350 -0.000 0.000 0.267 464 T C 1.570 176.214 174.700 -0.094 0.000 1.046 464 T CA 1.832 63.900 62.100 -0.054 0.000 1.139 464 T CB -0.555 68.278 68.868 -0.058 0.000 0.871 464 T HN 0.475 nan 8.240 nan 0.000 0.454 465 D N 1.806 122.200 120.400 -0.010 0.000 2.116 465 D HA -0.178 4.462 4.640 -0.000 0.000 0.193 465 D C 2.070 178.391 176.300 0.034 0.000 0.998 465 D CA 1.503 55.543 54.000 0.067 0.000 0.836 465 D CB -0.298 40.606 40.800 0.173 0.000 0.951 465 D HN 0.342 nan 8.370 nan 0.000 0.449 466 N N 0.503 119.218 118.700 0.025 0.000 2.223 466 N HA -0.123 4.617 4.740 -0.000 0.000 0.185 466 N C 1.120 176.616 175.510 -0.024 0.000 1.016 466 N CA 1.087 54.147 53.050 0.017 0.000 0.863 466 N CB -0.301 38.195 38.487 0.015 0.000 0.983 466 N HN 0.399 nan 8.380 nan 0.000 0.429 467 D N 0.823 121.187 120.400 -0.060 0.000 2.123 467 D HA -0.002 4.637 4.640 -0.000 0.000 0.200 467 D C 2.210 178.442 176.300 -0.113 0.000 0.976 467 D CA 0.356 54.309 54.000 -0.077 0.000 0.831 467 D CB -0.307 40.452 40.800 -0.068 0.000 0.974 467 D HN 0.213 nan 8.370 nan 0.000 0.469 468 L N 0.434 121.522 121.223 -0.225 0.000 2.083 468 L HA -0.105 4.235 4.340 -0.000 0.000 0.209 468 L C 2.565 179.330 176.870 -0.174 0.000 1.083 468 L CA 0.922 55.550 54.840 -0.353 0.000 0.752 468 L CB -0.257 41.094 42.059 -1.181 0.000 0.899 468 L HN -0.043 nan 8.230 nan 0.000 0.433 469 R N 0.222 120.690 120.500 -0.054 0.000 2.148 469 R HA -0.071 4.269 4.340 -0.000 0.000 0.223 469 R C 2.203 178.551 176.300 0.080 0.000 1.088 469 R CA 1.031 57.246 56.100 0.192 0.000 0.985 469 R CB -0.052 30.405 30.300 0.261 0.000 0.880 469 R HN 0.311 nan 8.270 nan 0.000 0.451 470 A N 0.272 123.090 122.820 -0.002 0.000 1.970 470 A HA -0.033 4.287 4.320 -0.000 0.000 0.216 470 A C 1.875 179.390 177.584 -0.115 0.000 1.170 470 A CA 0.972 52.984 52.037 -0.042 0.000 0.645 470 A CB 0.010 18.979 19.000 -0.050 0.000 0.816 470 A HN 0.199 nan 8.150 nan 0.000 0.447 471 K N -2.140 118.136 120.400 -0.206 0.000 2.352 471 K HA 0.277 4.597 4.320 -0.000 0.000 0.194 471 K C -0.666 175.450 176.600 -0.806 0.000 1.038 471 K CA 0.426 56.396 56.287 -0.528 0.000 1.023 471 K CB 0.150 32.221 32.500 -0.716 0.000 0.840 471 K HN 0.394 nan 8.250 nan 0.000 0.519 472 F N -0.092 119.861 119.950 0.004 0.000 2.556 472 F HA 0.202 4.729 4.527 -0.000 0.000 0.384 472 F C 0.338 176.202 175.800 0.106 0.000 1.493 472 F CA -0.785 57.245 58.000 0.051 0.000 1.119 472 F CB 0.832 39.866 39.000 0.056 0.000 1.280 472 F HN -0.255 nan 8.300 nan 0.000 0.525 473 K N 0.434 120.919 120.400 0.142 0.000 2.097 473 K HA -0.279 4.041 4.320 -0.000 0.000 0.214 473 K C 1.826 178.519 176.600 0.155 0.000 1.052 473 K CA 2.090 58.455 56.287 0.130 0.000 0.932 473 K CB -0.239 32.296 32.500 0.060 0.000 0.716 473 K HN 0.469 nan 8.250 nan 0.000 0.455 474 E N 0.338 120.625 120.200 0.145 0.000 2.028 474 E HA -0.104 4.246 4.350 -0.000 0.000 0.190 474 E C 1.819 178.511 176.600 0.153 0.000 0.984 474 E CA 0.692 57.166 56.400 0.124 0.000 0.800 474 E CB 0.197 29.957 29.700 0.100 0.000 0.758 474 E HN 0.161 nan 8.360 nan 0.000 0.448 475 R N -0.408 120.228 120.500 0.227 0.000 2.307 475 R HA -0.032 4.307 4.340 -0.000 0.000 0.199 475 R C 0.478 176.939 176.300 0.267 0.000 1.000 475 R CA 0.286 56.510 56.100 0.206 0.000 1.023 475 R CB 0.042 30.453 30.300 0.185 0.000 0.908 475 R HN 0.341 nan 8.270 nan 0.000 0.473 476 W N 3.474 124.821 121.300 0.077 0.000 2.423 476 W HA 0.197 4.857 4.660 0.000 0.000 0.286 476 W C -1.067 175.474 176.519 0.036 0.000 1.001 476 W CA -0.573 56.804 57.345 0.054 0.000 1.643 476 W CB 0.676 30.193 29.460 0.095 0.000 1.593 476 W HN 0.021 nan 8.180 nan 0.000 0.403 477 Q N 4.078 123.806 119.800 -0.120 0.000 2.454 477 Q HA 0.650 4.989 4.340 -0.000 0.000 0.255 477 Q C -1.086 174.779 176.000 -0.224 0.000 1.034 477 Q CA -0.634 55.099 55.803 -0.115 0.000 0.736 477 Q CB 1.467 30.185 28.738 -0.034 0.000 1.210 477 Q HN 0.295 nan 8.270 nan 0.000 0.500 478 R N -0.133 120.208 120.500 -0.265 0.000 2.739 478 R HA 0.426 4.766 4.340 -0.000 0.000 0.271 478 R C -0.799 175.414 176.300 -0.145 0.000 1.010 478 R CA -0.730 55.225 56.100 -0.241 0.000 0.897 478 R CB 1.144 31.223 30.300 -0.368 0.000 1.236 478 R HN 0.631 nan 8.270 nan 0.000 0.466 479 T N 0.039 114.524 114.554 -0.115 0.000 2.849 479 T HA 0.102 4.452 4.350 -0.000 0.000 0.289 479 T C -1.951 172.695 174.700 -0.091 0.000 1.010 479 T CA -0.946 61.103 62.100 -0.085 0.000 1.161 479 T CB 0.035 68.855 68.868 -0.080 0.000 0.989 479 T HN 0.211 nan 8.240 nan 0.000 0.523 480 P HA 0.151 nan 4.420 nan 0.000 0.268 480 P C 0.866 178.073 177.300 -0.155 0.000 1.208 480 P CA -0.331 62.738 63.100 -0.052 0.000 0.777 480 P CB 0.411 32.097 31.700 -0.024 0.000 0.875 481 S N 0.815 116.392 115.700 -0.205 0.000 2.382 481 S HA -0.169 4.301 4.470 -0.000 0.000 0.228 481 S C 1.729 176.036 174.600 -0.488 0.000 1.027 481 S CA 1.012 58.886 58.200 -0.542 0.000 0.991 481 S CB -0.781 62.161 63.200 -0.429 0.000 0.823 481 S HN 0.552 nan 8.310 nan 0.000 0.469 482 N N 0.982 119.582 118.700 -0.167 0.000 2.049 482 N HA -0.177 4.563 4.740 -0.000 0.000 0.198 482 N C 1.689 177.171 175.510 -0.046 0.000 1.030 482 N CA 1.446 54.468 53.050 -0.047 0.000 0.870 482 N CB -0.242 38.239 38.487 -0.010 0.000 1.045 482 N HN 0.431 nan 8.380 nan 0.000 0.434 483 E N 0.883 121.038 120.200 -0.076 0.000 2.047 483 E HA -0.069 4.281 4.350 -0.000 0.000 0.191 483 E C 2.314 178.886 176.600 -0.046 0.000 0.987 483 E CA 0.293 56.666 56.400 -0.045 0.000 0.799 483 E CB -0.389 29.286 29.700 -0.042 0.000 0.752 483 E HN 0.345 nan 8.360 nan 0.000 0.449 484 L N 0.233 121.375 121.223 -0.134 0.000 2.187 484 L HA -0.197 4.143 4.340 -0.000 0.000 0.213 484 L C 1.832 178.767 176.870 0.109 0.000 1.100 484 L CA 1.018 55.802 54.840 -0.093 0.000 0.765 484 L CB -0.105 41.817 42.059 -0.228 0.000 0.904 484 L HN 0.152 nan 8.230 nan 0.000 0.437 485 Y N -0.897 119.413 120.300 0.016 0.000 2.462 485 Y HA -0.013 4.537 4.550 -0.000 0.000 0.261 485 Y C 2.119 178.042 175.900 0.038 0.000 1.146 485 Y CA -0.025 58.088 58.100 0.022 0.000 1.283 485 Y CB -0.606 37.864 38.460 0.017 0.000 1.090 485 Y HN 0.221 nan 8.280 nan 0.000 0.526 486 K N 0.515 121.016 120.400 0.168 0.000 2.103 486 K HA -0.110 4.210 4.320 -0.000 0.000 0.207 486 K C -1.107 175.554 176.600 0.101 0.000 1.048 486 K CA 1.457 57.811 56.287 0.112 0.000 0.930 486 K CB -1.769 30.772 32.500 0.068 0.000 0.716 486 K HN 0.124 nan 8.250 nan 0.000 0.444 487 P HA -0.128 nan 4.420 nan 0.000 0.213 487 P C 1.366 178.739 177.300 0.121 0.000 1.170 487 P CA 1.182 64.337 63.100 0.092 0.000 0.898 487 P CB -0.010 31.744 31.700 0.090 0.000 0.787 488 L N -1.187 120.131 121.223 0.158 0.000 2.079 488 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 488 L C 2.609 179.656 176.870 0.295 0.000 1.081 488 L CA 1.507 56.489 54.840 0.236 0.000 0.752 488 L CB -0.516 41.599 42.059 0.094 0.000 0.896 488 L HN -0.137 nan 8.230 nan 0.000 0.433 489 R N -0.673 119.942 120.500 0.191 0.000 2.237 489 R HA -0.075 4.265 4.340 -0.000 0.000 0.219 489 R C 2.158 178.516 176.300 0.097 0.000 1.080 489 R CA 0.955 57.152 56.100 0.161 0.000 0.995 489 R CB -0.142 30.236 30.300 0.131 0.000 0.875 489 R HN 0.367 nan 8.270 nan 0.000 0.462 490 A N 0.113 122.972 122.820 0.065 0.000 1.984 490 A HA -0.032 4.288 4.320 -0.000 0.000 0.214 490 A C 1.693 179.219 177.584 -0.096 0.000 1.173 490 A CA 0.520 52.553 52.037 -0.005 0.000 0.673 490 A CB 0.016 19.014 19.000 -0.003 0.000 0.830 490 A HN 0.223 nan 8.150 nan 0.000 0.453 491 E N -0.056 120.083 120.200 -0.102 0.000 2.085 491 E HA -0.127 4.223 4.350 -0.000 0.000 0.194 491 E C 2.101 178.373 176.600 -0.546 0.000 0.994 491 E CA 1.006 57.176 56.400 -0.383 0.000 0.801 491 E CB -0.358 29.216 29.700 -0.210 0.000 0.743 491 E HN 0.583 nan 8.360 nan 0.000 0.453 492 G N 0.745 109.443 108.800 -0.171 0.000 2.491 492 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.218 492 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.218 492 G C 1.797 176.684 174.900 -0.023 0.000 1.180 492 G CA 1.877 46.964 45.100 -0.022 0.000 0.774 492 G HN 0.445 nan 8.290 nan 0.000 0.562 493 T N -0.952 113.582 114.554 -0.034 0.000 2.867 493 T HA -0.131 4.219 4.350 -0.000 0.000 0.268 493 T C 2.048 176.711 174.700 -0.062 0.000 1.057 493 T CA 1.619 63.706 62.100 -0.022 0.000 1.136 493 T CB -0.373 68.486 68.868 -0.015 0.000 0.874 493 T HN 0.378 nan 8.240 nan 0.000 0.466 494 N N 0.726 119.328 118.700 -0.163 0.000 2.058 494 N HA -0.016 4.723 4.740 -0.000 0.000 0.191 494 N C 1.554 176.974 175.510 -0.150 0.000 1.037 494 N CA 1.412 54.338 53.050 -0.208 0.000 0.848 494 N CB -0.641 37.638 38.487 -0.347 0.000 1.021 494 N HN 0.523 nan 8.380 nan 0.000 0.422 495 F N 0.088 119.966 119.950 -0.120 0.000 2.154 495 F HA -0.171 4.356 4.527 -0.000 0.000 0.301 495 F C 2.603 178.375 175.800 -0.046 0.000 1.087 495 F CA 0.799 58.730 58.000 -0.115 0.000 1.274 495 F CB -0.119 38.745 39.000 -0.227 0.000 1.009 495 F HN 0.062 nan 8.300 nan 0.000 0.485 496 R N 0.365 120.948 120.500 0.138 0.000 2.083 496 R HA -0.134 4.206 4.340 -0.000 0.000 0.237 496 R C 2.071 178.417 176.300 0.077 0.000 1.137 496 R CA 2.088 58.244 56.100 0.093 0.000 0.951 496 R CB -0.906 29.430 30.300 0.059 0.000 0.851 496 R HN 0.064 nan 8.270 nan 0.000 0.434 497 T N -0.373 114.211 114.554 0.049 0.000 2.867 497 T HA -0.053 4.297 4.350 -0.000 0.000 0.268 497 T C 1.703 176.437 174.700 0.057 0.000 1.057 497 T CA 1.236 63.358 62.100 0.035 0.000 1.136 497 T CB -0.098 68.773 68.868 0.005 0.000 0.874 497 T HN 0.003 nan 8.240 nan 0.000 0.466 498 V N 1.462 121.432 119.914 0.093 0.000 2.343 498 V HA -0.108 4.012 4.120 -0.000 0.000 0.247 498 V C 2.398 178.593 176.094 0.169 0.000 1.051 498 V CA 1.449 63.834 62.300 0.142 0.000 1.036 498 V CB -0.523 31.434 31.823 0.223 0.000 0.654 498 V HN 0.453 nan 8.190 nan 0.000 0.451 499 L N -0.446 120.885 121.223 0.180 0.000 2.093 499 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 499 L C 2.303 179.250 176.870 0.129 0.000 1.085 499 L CA 1.394 56.352 54.840 0.196 0.000 0.755 499 L CB -0.698 41.464 42.059 0.172 0.000 0.904 499 L HN 0.317 nan 8.230 nan 0.000 0.435 500 D N 0.087 120.537 120.400 0.084 0.000 2.182 500 D HA -0.180 4.460 4.640 -0.000 0.000 0.201 500 D C 2.145 178.462 176.300 0.028 0.000 0.986 500 D CA 1.115 55.146 54.000 0.051 0.000 0.847 500 D CB -0.006 40.815 40.800 0.035 0.000 0.942 500 D HN 0.069 nan 8.370 nan 0.000 0.467 501 K N 0.502 120.910 120.400 0.014 0.000 2.062 501 K HA 0.131 4.451 4.320 -0.000 0.000 0.205 501 K C 1.918 178.469 176.600 -0.080 0.000 1.051 501 K CA 0.968 57.233 56.287 -0.037 0.000 0.941 501 K CB -0.543 31.924 32.500 -0.055 0.000 0.719 501 K HN 0.063 nan 8.250 nan 0.000 0.440 502 A N 0.487 123.262 122.820 -0.074 0.000 1.877 502 A HA -0.132 4.187 4.320 -0.000 0.000 0.216 502 A C 2.340 179.933 177.584 0.015 0.000 1.186 502 A CA 1.695 53.646 52.037 -0.142 0.000 0.620 502 A CB -0.894 18.082 19.000 -0.040 0.000 0.822 502 A HN 0.041 nan 8.150 nan 0.000 0.443 503 V N -0.220 119.750 119.914 0.094 0.000 2.282 503 V HA -0.361 3.759 4.120 -0.000 0.000 0.249 503 V C 2.782 178.897 176.094 0.034 0.000 1.057 503 V CA 2.611 64.961 62.300 0.084 0.000 1.032 503 V CB -0.779 31.085 31.823 0.068 0.000 0.645 503 V HN 0.722 nan 8.190 nan 0.000 0.447 504 Q N -0.376 119.428 119.800 0.007 0.000 2.050 504 Q HA -0.136 4.203 4.340 -0.000 0.000 0.202 504 Q C 2.213 178.199 176.000 -0.023 0.000 0.980 504 Q CA 2.043 57.841 55.803 -0.008 0.000 0.840 504 Q CB -0.555 28.173 28.738 -0.017 0.000 0.898 504 Q HN 0.643 nan 8.270 nan 0.000 0.424 505 A N 0.609 123.396 122.820 -0.055 0.000 1.883 505 A HA -0.257 4.063 4.320 -0.000 0.000 0.217 505 A C 1.739 179.297 177.584 -0.043 0.000 1.186 505 A CA 1.960 53.949 52.037 -0.079 0.000 0.624 505 A CB -0.936 17.964 19.000 -0.166 0.000 0.822 505 A HN 0.454 nan 8.150 nan 0.000 0.444 506 D N -0.234 120.161 120.400 -0.008 0.000 2.116 506 D HA -0.129 4.511 4.640 -0.000 0.000 0.193 506 D C 2.070 178.385 176.300 0.024 0.000 0.998 506 D CA 1.608 55.629 54.000 0.034 0.000 0.836 506 D CB -0.900 39.951 40.800 0.086 0.000 0.951 506 D HN 0.440 nan 8.370 nan 0.000 0.449 507 G N 0.762 109.574 108.800 0.021 0.000 2.476 507 G HA2 -0.318 3.641 3.960 -0.000 0.000 0.218 507 G HA3 -0.318 3.641 3.960 -0.000 0.000 0.218 507 G C 1.486 176.399 174.900 0.021 0.000 1.164 507 G CA 0.896 46.009 45.100 0.021 0.000 0.768 507 G HN 0.251 nan 8.290 nan 0.000 0.560 508 Q N 0.142 119.946 119.800 0.007 0.000 2.020 508 Q HA -0.068 4.272 4.340 -0.000 0.000 0.202 508 Q C 2.961 178.977 176.000 0.026 0.000 0.982 508 Q CA 1.405 57.214 55.803 0.009 0.000 0.838 508 Q CB -0.967 27.766 28.738 -0.009 0.000 0.899 508 Q HN 0.409 nan 8.270 nan 0.000 0.423 509 V N 1.686 121.610 119.914 0.017 0.000 2.332 509 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 509 V C 2.486 178.628 176.094 0.080 0.000 1.055 509 V CA 2.067 64.385 62.300 0.029 0.000 1.038 509 V CB -0.578 31.240 31.823 -0.009 0.000 0.651 509 V HN 0.330 nan 8.190 nan 0.000 0.450 510 K N -0.066 120.378 120.400 0.075 0.000 2.032 510 K HA -0.262 4.057 4.320 -0.000 0.000 0.209 510 K C 2.253 178.956 176.600 0.172 0.000 1.048 510 K CA 2.077 58.448 56.287 0.140 0.000 0.927 510 K CB -0.168 32.388 32.500 0.093 0.000 0.712 510 K HN 0.541 nan 8.250 nan 0.000 0.441 511 E N -0.138 120.116 120.200 0.091 0.000 2.077 511 E HA -0.240 4.110 4.350 -0.000 0.000 0.193 511 E C 2.092 178.715 176.600 0.039 0.000 0.989 511 E CA 1.405 57.834 56.400 0.047 0.000 0.800 511 E CB -0.127 29.587 29.700 0.024 0.000 0.746 511 E HN 0.493 nan 8.360 nan 0.000 0.452 512 C N 0.202 119.556 119.300 0.089 0.000 2.425 512 C HA -0.151 4.309 4.460 -0.000 0.000 0.277 512 C C 2.582 177.699 174.990 0.213 0.000 1.280 512 C CA 1.074 60.184 59.018 0.153 0.000 1.744 512 C CB -1.280 26.567 27.740 0.179 0.000 1.989 512 C HN 0.678 nan 8.230 nan 0.000 0.491 513 Y N 1.657 121.996 120.300 0.065 0.000 2.145 513 Y HA -0.159 4.391 4.550 -0.000 0.000 0.286 513 Y C 2.482 178.403 175.900 0.036 0.000 1.145 513 Y CA 2.505 60.640 58.100 0.059 0.000 1.148 513 Y CB -0.864 37.613 38.460 0.028 0.000 0.981 513 Y HN 0.362 nan 8.280 nan 0.000 0.507 514 Q N -0.531 119.177 119.800 -0.154 0.000 2.224 514 Q HA -0.103 4.236 4.340 -0.000 0.000 0.203 514 Q C 2.527 178.387 176.000 -0.234 0.000 0.970 514 Q CA 1.530 57.171 55.803 -0.270 0.000 0.865 514 Q CB -0.307 28.371 28.738 -0.099 0.000 0.922 514 Q HN 0.389 nan 8.270 nan 0.000 0.445 515 S N -1.625 113.929 115.700 -0.242 0.000 2.527 515 S HA -0.026 4.444 4.470 -0.000 0.000 0.222 515 S C 0.317 174.591 174.600 -0.543 0.000 0.985 515 S CA 0.512 58.465 58.200 -0.413 0.000 0.921 515 S CB -0.006 62.859 63.200 -0.558 0.000 0.772 515 S HN 0.526 nan 8.310 nan 0.000 0.529 516 H N -1.278 117.756 119.070 -0.059 0.000 3.398 516 H HA 0.358 4.914 4.556 -0.000 0.000 0.260 516 H C 1.737 177.043 175.328 -0.037 0.000 1.189 516 H CA -0.355 55.679 56.048 -0.024 0.000 1.145 516 H CB 0.317 30.092 29.762 0.021 0.000 1.599 516 H HN 0.024 nan 8.280 nan 0.000 0.615 517 R N 1.404 121.866 120.500 -0.063 0.000 2.094 517 R HA -0.167 4.173 4.340 -0.000 0.000 0.239 517 R C 0.671 176.966 176.300 -0.008 0.000 1.137 517 R CA 2.242 58.285 56.100 -0.095 0.000 0.943 517 R CB -0.102 30.016 30.300 -0.304 0.000 0.850 517 R HN 0.379 nan 8.270 nan 0.000 0.433 518 D N -0.499 119.886 120.400 -0.025 0.000 2.117 518 D HA -0.103 4.537 4.640 -0.000 0.000 0.197 518 D C 1.796 178.109 176.300 0.023 0.000 0.987 518 D CA 1.870 55.866 54.000 -0.005 0.000 0.829 518 D CB -0.332 40.457 40.800 -0.019 0.000 0.961 518 D HN 0.356 nan 8.370 nan 0.000 0.460 519 T N 1.545 116.125 114.554 0.043 0.000 2.788 519 T HA -0.068 4.282 4.350 -0.000 0.000 0.268 519 T C 2.296 177.032 174.700 0.059 0.000 1.044 519 T CA 0.474 62.607 62.100 0.056 0.000 1.139 519 T CB -0.152 68.764 68.868 0.079 0.000 0.867 519 T HN 0.166 nan 8.240 nan 0.000 0.454 520 I N 0.932 121.552 120.570 0.083 0.000 2.286 520 I HA -0.151 4.018 4.170 -0.000 0.000 0.248 520 I C 2.455 178.597 176.117 0.041 0.000 1.115 520 I CA 0.889 62.240 61.300 0.085 0.000 1.392 520 I CB -0.450 37.656 38.000 0.177 0.000 1.065 520 I HN 0.094 nan 8.210 nan 0.000 0.418 521 V N 0.696 120.637 119.914 0.045 0.000 2.407 521 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 521 V C 2.336 178.437 176.094 0.011 0.000 1.055 521 V CA 1.530 63.848 62.300 0.029 0.000 1.049 521 V CB -0.507 31.333 31.823 0.028 0.000 0.662 521 V HN 0.346 nan 8.190 nan 0.000 0.455 522 L N -0.060 121.170 121.223 0.013 0.000 1.961 522 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 522 L C 2.277 179.145 176.870 -0.004 0.000 1.072 522 L CA 2.061 56.905 54.840 0.006 0.000 0.749 522 L CB -0.955 41.111 42.059 0.012 0.000 0.889 522 L HN 0.271 nan 8.230 nan 0.000 0.432 523 L N -0.131 121.090 121.223 -0.003 0.000 2.123 523 L HA -0.326 4.014 4.340 -0.000 0.000 0.217 523 L C 2.331 179.174 176.870 -0.045 0.000 1.081 523 L CA 2.208 57.036 54.840 -0.019 0.000 0.772 523 L CB -0.978 41.074 42.059 -0.012 0.000 0.890 523 L HN 0.506 nan 8.230 nan 0.000 0.437 524 C N -0.382 118.886 119.300 -0.053 0.000 2.539 524 C HA 0.034 4.494 4.460 -0.000 0.000 0.271 524 C C 1.235 176.204 174.990 -0.034 0.000 1.412 524 C CA -0.495 58.485 59.018 -0.063 0.000 1.729 524 C CB -1.639 26.063 27.740 -0.064 0.000 1.739 524 C HN 0.288 nan 8.230 nan 0.000 0.570 525 K N 1.909 122.296 120.400 -0.022 0.000 2.270 525 K HA 0.235 4.555 4.320 -0.000 0.000 0.276 525 K C -2.377 174.213 176.600 -0.016 0.000 1.023 525 K CA -1.272 55.007 56.287 -0.013 0.000 0.955 525 K CB 0.147 32.643 32.500 -0.007 0.000 0.975 525 K HN -0.030 nan 8.250 nan 0.000 0.471 526 P HA -0.181 nan 4.420 nan 0.000 0.265 526 P C 0.608 177.901 177.300 -0.012 0.000 1.167 526 P CA 0.547 63.640 63.100 -0.011 0.000 0.760 526 P CB 0.480 32.176 31.700 -0.007 0.000 0.783 527 E N 5.115 125.307 120.200 -0.013 0.000 2.070 527 E HA -0.212 4.138 4.350 -0.000 0.000 0.197 527 E C -0.779 175.815 176.600 -0.010 0.000 1.004 527 E CA 1.729 58.121 56.400 -0.014 0.000 0.805 527 E CB -1.022 28.669 29.700 -0.015 0.000 0.744 527 E HN 0.400 nan 8.360 nan 0.000 0.451 528 P HA -0.135 nan 4.420 nan 0.000 0.217 528 P C 1.149 178.446 177.300 -0.004 0.000 1.151 528 P CA 1.276 64.373 63.100 -0.005 0.000 0.828 528 P CB -0.092 31.605 31.700 -0.004 0.000 0.788 529 E N -0.322 119.876 120.200 -0.004 0.000 2.085 529 E HA -0.190 4.160 4.350 -0.000 0.000 0.194 529 E C 1.957 178.555 176.600 -0.003 0.000 0.994 529 E CA 0.796 57.194 56.400 -0.003 0.000 0.801 529 E CB -0.458 29.241 29.700 -0.003 0.000 0.743 529 E HN 0.002 nan 8.360 nan 0.000 0.453 530 L N 1.626 122.846 121.223 -0.006 0.000 2.083 530 L HA -0.153 4.186 4.340 -0.000 0.000 0.209 530 L C 1.858 178.725 176.870 -0.004 0.000 1.083 530 L CA 1.863 56.699 54.840 -0.006 0.000 0.752 530 L CB -0.777 41.275 42.059 -0.011 0.000 0.899 530 L HN 0.180 nan 8.230 nan 0.000 0.433 531 N N -0.544 118.153 118.700 -0.005 0.000 2.244 531 N HA -0.171 4.569 4.740 -0.000 0.000 0.183 531 N C 1.733 177.243 175.510 -0.001 0.000 1.016 531 N CA 1.025 54.073 53.050 -0.003 0.000 0.866 531 N CB 0.085 38.569 38.487 -0.004 0.000 0.980 531 N HN 0.529 nan 8.380 nan 0.000 0.430 532 A N 0.589 123.408 122.820 -0.001 0.000 2.015 532 A HA 0.071 4.391 4.320 -0.000 0.000 0.219 532 A C 2.078 179.663 177.584 0.002 0.000 1.163 532 A CA 1.475 53.513 52.037 0.001 0.000 0.646 532 A CB -0.396 18.604 19.000 0.000 0.000 0.806 532 A HN 0.414 nan 8.150 nan 0.000 0.448 533 A N -0.894 121.927 122.820 0.002 0.000 2.218 533 A HA 0.414 4.734 4.320 -0.000 0.000 0.209 533 A C 0.695 178.281 177.584 0.005 0.000 1.168 533 A CA -0.045 51.994 52.037 0.003 0.000 0.804 533 A CB -0.226 18.776 19.000 0.003 0.000 0.834 533 A HN 0.405 nan 8.150 nan 0.000 0.482 534 I N 1.796 122.369 120.570 0.004 0.000 2.297 534 I HA 0.235 4.405 4.170 -0.000 0.000 0.291 534 I C -2.488 173.633 176.117 0.007 0.000 1.033 534 I CA -2.194 59.110 61.300 0.006 0.000 1.253 534 I CB 1.394 39.397 38.000 0.005 0.000 1.396 534 I HN -0.009 nan 8.210 nan 0.000 0.476 535 P HA 0.029 nan 4.420 nan 0.000 0.265 535 P C -0.213 177.092 177.300 0.008 0.000 1.193 535 P CA -0.142 62.962 63.100 0.008 0.000 0.765 535 P CB 0.512 32.217 31.700 0.009 0.000 0.823 536 S N 1.963 117.667 115.700 0.007 0.000 2.614 536 S HA 0.740 5.210 4.470 -0.000 0.000 0.265 536 S C -0.182 174.422 174.600 0.007 0.000 1.303 536 S CA -0.439 57.765 58.200 0.007 0.000 1.000 536 S CB 0.852 64.055 63.200 0.005 0.000 0.935 536 S HN 0.624 nan 8.310 nan 0.000 0.551 537 A N 1.341 124.166 122.820 0.008 0.000 2.606 537 A HA 0.672 4.992 4.320 -0.000 0.000 0.293 537 A C -1.368 176.219 177.584 0.006 0.000 1.082 537 A CA -1.166 50.875 52.037 0.007 0.000 0.685 537 A CB 0.880 19.886 19.000 0.010 0.000 1.284 537 A HN 0.768 nan 8.150 nan 0.000 0.408 538 N N 2.695 121.397 118.700 0.002 0.000 2.408 538 N HA 0.492 5.232 4.740 -0.000 0.000 0.257 538 N C -2.451 173.058 175.510 -0.001 0.000 1.064 538 N CA -0.896 52.154 53.050 0.000 0.000 0.952 538 N CB 0.649 39.135 38.487 -0.003 0.000 1.093 538 N HN 0.495 nan 8.380 nan 0.000 0.490 539 P HA 0.105 nan 4.420 nan 0.000 0.271 539 P C -0.837 176.458 177.300 -0.008 0.000 1.218 539 P CA -0.477 62.626 63.100 0.004 0.000 0.780 539 P CB 0.635 32.342 31.700 0.012 0.000 0.901 540 A N 3.322 126.130 122.820 -0.020 0.000 2.444 540 A HA 0.068 4.388 4.320 -0.000 0.000 0.287 540 A C 1.255 178.821 177.584 -0.030 0.000 1.195 540 A CA -0.206 51.806 52.037 -0.043 0.000 0.858 540 A CB -0.483 18.464 19.000 -0.089 0.000 1.117 540 A HN 0.487 nan 8.150 nan 0.000 0.521 541 K N 1.240 121.627 120.400 -0.022 0.000 2.439 541 K HA -0.024 4.296 4.320 -0.000 0.000 0.197 541 K C 0.210 176.807 176.600 -0.005 0.000 1.041 541 K CA 0.727 57.009 56.287 -0.008 0.000 0.970 541 K CB 0.089 32.584 32.500 -0.007 0.000 0.773 541 K HN 0.659 nan 8.250 nan 0.000 0.479 542 T N 1.830 116.373 114.554 -0.019 0.000 3.162 542 T HA 0.133 4.482 4.350 -0.000 0.000 0.264 542 T C 0.050 174.758 174.700 0.013 0.000 0.959 542 T CA 0.545 62.638 62.100 -0.012 0.000 1.118 542 T CB -0.141 68.707 68.868 -0.033 0.000 0.979 542 T HN 0.146 nan 8.240 nan 0.000 0.679 543 M N 2.669 122.291 119.600 0.036 0.000 5.733 543 M HA 0.158 4.638 4.480 -0.000 0.000 0.673 543 M C 0.236 176.566 176.300 0.050 0.000 2.455 543 M CA -0.135 55.208 55.300 0.072 0.000 0.243 543 M CB 0.420 33.077 32.600 0.096 0.000 1.543 543 M HN 0.356 nan 8.290 nan 0.000 0.718 544 Q N -0.452 119.371 119.800 0.038 0.000 2.514 544 Q HA 0.515 4.855 4.340 -0.000 0.000 0.191 544 Q C 1.447 177.463 176.000 0.027 0.000 0.968 544 Q CA 1.689 57.508 55.803 0.026 0.000 0.852 544 Q CB 0.309 29.058 28.738 0.018 0.000 1.051 544 Q HN 0.589 nan 8.270 nan 0.000 0.604 545 G N -0.400 108.415 108.800 0.025 0.000 3.044 545 G HA2 0.070 4.030 3.960 -0.000 0.000 0.223 545 G HA3 0.070 4.030 3.960 -0.000 0.000 0.223 545 G C -0.067 174.851 174.900 0.030 0.000 1.123 545 G CA 0.311 45.424 45.100 0.023 0.000 0.765 545 G HN 0.318 nan 8.290 nan 0.000 0.546 546 S N 0.688 116.413 115.700 0.041 0.000 3.799 546 S HA -0.177 4.293 4.470 -0.000 0.000 0.454 546 S C 1.495 176.128 174.600 0.055 0.000 1.130 546 S CA 0.713 58.946 58.200 0.055 0.000 0.966 546 S CB 0.206 63.458 63.200 0.087 0.000 0.680 546 S HN 0.576 nan 8.310 nan 0.000 0.496 547 E N 3.524 123.751 120.200 0.045 0.000 2.150 547 E HA -0.114 4.236 4.350 -0.000 0.000 0.193 547 E C 1.625 178.252 176.600 0.046 0.000 0.985 547 E CA 1.531 57.953 56.400 0.037 0.000 0.814 547 E CB -0.023 29.694 29.700 0.028 0.000 0.752 547 E HN 0.747 nan 8.360 nan 0.000 0.466 548 V N 0.638 120.597 119.914 0.075 0.000 2.626 548 V HA -0.194 3.926 4.120 -0.000 0.000 0.252 548 V C 2.391 178.531 176.094 0.076 0.000 1.067 548 V CA 0.998 63.356 62.300 0.098 0.000 1.081 548 V CB -0.167 31.754 31.823 0.163 0.000 0.686 548 V HN 0.145 nan 8.190 nan 0.000 0.468 549 V N 0.513 120.476 119.914 0.081 0.000 2.255 549 V HA -0.189 3.931 4.120 -0.000 0.000 0.243 549 V C 2.338 178.413 176.094 -0.032 0.000 1.038 549 V CA 2.027 64.326 62.300 -0.002 0.000 1.008 549 V CB -0.765 31.092 31.823 0.057 0.000 0.645 549 V HN 0.531 nan 8.190 nan 0.000 0.449 550 N N 0.205 118.903 118.700 -0.002 0.000 2.272 550 N HA -0.131 4.609 4.740 -0.000 0.000 0.185 550 N C 1.708 177.210 175.510 -0.014 0.000 1.014 550 N CA 1.225 54.270 53.050 -0.009 0.000 0.870 550 N CB -0.307 38.181 38.487 0.002 0.000 0.975 550 N HN 0.352 nan 8.380 nan 0.000 0.433 551 V N 1.548 121.457 119.914 -0.008 0.000 2.270 551 V HA -0.150 3.970 4.120 -0.000 0.000 0.245 551 V C 2.453 178.532 176.094 -0.024 0.000 1.043 551 V CA 1.111 63.406 62.300 -0.008 0.000 1.014 551 V CB -0.436 31.390 31.823 0.006 0.000 0.645 551 V HN 0.217 nan 8.190 nan 0.000 0.447 552 L N -0.403 120.792 121.223 -0.048 0.000 2.046 552 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 552 L C 2.677 179.503 176.870 -0.073 0.000 1.077 552 L CA 1.690 56.484 54.840 -0.077 0.000 0.747 552 L CB -0.610 41.353 42.059 -0.160 0.000 0.896 552 L HN 0.297 nan 8.230 nan 0.000 0.432 553 K N -0.461 119.897 120.400 -0.070 0.000 2.009 553 K HA -0.210 4.110 4.320 -0.000 0.000 0.210 553 K C 2.388 178.966 176.600 -0.038 0.000 1.049 553 K CA 1.928 58.181 56.287 -0.056 0.000 0.929 553 K CB -0.133 32.339 32.500 -0.045 0.000 0.714 553 K HN 0.115 nan 8.250 nan 0.000 0.440 554 S N 0.418 116.101 115.700 -0.028 0.000 2.387 554 S HA -0.071 4.399 4.470 -0.000 0.000 0.226 554 S C 1.911 176.500 174.600 -0.018 0.000 1.026 554 S CA 0.509 58.698 58.200 -0.019 0.000 0.972 554 S CB -0.071 63.121 63.200 -0.012 0.000 0.814 554 S HN 0.160 nan 8.310 nan 0.000 0.477 555 L N 1.684 122.895 121.223 -0.021 0.000 2.042 555 L HA 0.028 4.368 4.340 -0.000 0.000 0.210 555 L C 2.135 178.992 176.870 -0.022 0.000 1.076 555 L CA 1.581 56.410 54.840 -0.018 0.000 0.749 555 L CB -0.984 41.065 42.059 -0.018 0.000 0.893 555 L HN 0.368 nan 8.230 nan 0.000 0.432 556 L N -1.930 119.274 121.223 -0.031 0.000 2.217 556 L HA -0.141 4.198 4.340 -0.000 0.000 0.211 556 L C 2.619 179.474 176.870 -0.024 0.000 1.107 556 L CA 1.015 55.835 54.840 -0.032 0.000 0.783 556 L CB -0.556 41.476 42.059 -0.046 0.000 0.919 556 L HN 0.267 nan 8.230 nan 0.000 0.442 557 S N 0.313 115.999 115.700 -0.022 0.000 2.368 557 S HA -0.155 4.315 4.470 -0.000 0.000 0.224 557 S C 1.875 176.468 174.600 -0.011 0.000 1.029 557 S CA 1.432 59.622 58.200 -0.017 0.000 0.988 557 S CB -0.140 63.050 63.200 -0.015 0.000 0.838 557 S HN 0.442 nan 8.310 nan 0.000 0.462 558 N N 1.301 119.995 118.700 -0.010 0.000 2.142 558 N HA -0.034 4.706 4.740 -0.000 0.000 0.186 558 N C 1.629 177.136 175.510 -0.005 0.000 1.023 558 N CA 0.953 53.999 53.050 -0.007 0.000 0.852 558 N CB -0.760 37.724 38.487 -0.006 0.000 0.998 558 N HN 0.328 nan 8.380 nan 0.000 0.424 559 L N 1.625 122.843 121.223 -0.008 0.000 2.046 559 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 559 L C 1.713 178.581 176.870 -0.003 0.000 1.077 559 L CA 1.697 56.534 54.840 -0.006 0.000 0.747 559 L CB -0.957 41.096 42.059 -0.011 0.000 0.896 559 L HN 0.070 nan 8.230 nan 0.000 0.432 560 D N -0.944 119.453 120.400 -0.005 0.000 2.092 560 D HA -0.222 4.418 4.640 -0.000 0.000 0.193 560 D C 2.006 178.308 176.300 0.003 0.000 0.994 560 D CA 1.569 55.569 54.000 -0.000 0.000 0.828 560 D CB 0.077 40.873 40.800 -0.006 0.000 0.963 560 D HN 0.434 nan 8.370 nan 0.000 0.450 561 E N -0.409 119.792 120.200 0.001 0.000 2.068 561 E HA -0.260 4.089 4.350 -0.000 0.000 0.207 561 E C 2.268 178.871 176.600 0.005 0.000 1.032 561 E CA 1.547 57.948 56.400 0.003 0.000 0.839 561 E CB -0.205 29.496 29.700 0.001 0.000 0.758 561 E HN 0.139 nan 8.360 nan 0.000 0.457 562 V N 2.003 121.919 119.914 0.004 0.000 2.252 562 V HA -0.348 3.772 4.120 -0.000 0.000 0.249 562 V C 2.435 178.534 176.094 0.008 0.000 1.056 562 V CA 2.507 64.810 62.300 0.005 0.000 1.022 562 V CB -0.715 31.110 31.823 0.003 0.000 0.641 562 V HN 0.401 nan 8.190 nan 0.000 0.445 563 K N 0.727 121.133 120.400 0.009 0.000 2.155 563 K HA -0.201 4.119 4.320 -0.000 0.000 0.203 563 K C 2.159 178.769 176.600 0.017 0.000 1.052 563 K CA 1.784 58.079 56.287 0.013 0.000 0.948 563 K CB -0.274 32.236 32.500 0.015 0.000 0.728 563 K HN 0.364 nan 8.250 nan 0.000 0.448 564 K N 1.766 122.177 120.400 0.017 0.000 2.147 564 K HA -0.195 4.124 4.320 -0.000 0.000 0.205 564 K C 2.181 178.791 176.600 0.017 0.000 1.049 564 K CA 1.634 57.933 56.287 0.020 0.000 0.936 564 K CB 0.020 32.531 32.500 0.018 0.000 0.722 564 K HN 0.402 nan 8.250 nan 0.000 0.446 565 E N 0.547 120.755 120.200 0.013 0.000 2.150 565 E HA -0.207 4.142 4.350 -0.000 0.000 0.193 565 E C 1.764 178.372 176.600 0.014 0.000 0.985 565 E CA 0.779 57.187 56.400 0.013 0.000 0.814 565 E CB 0.051 29.757 29.700 0.010 0.000 0.752 565 E HN 0.273 nan 8.360 nan 0.000 0.466 566 R N 0.470 120.978 120.500 0.013 0.000 2.170 566 R HA -0.183 4.157 4.340 -0.000 0.000 0.242 566 R C 2.313 178.623 176.300 0.015 0.000 1.145 566 R CA 1.617 57.725 56.100 0.013 0.000 0.984 566 R CB -0.189 30.117 30.300 0.011 0.000 0.869 566 R HN 0.363 nan 8.270 nan 0.000 0.455 567 E N -0.400 119.809 120.200 0.016 0.000 2.072 567 E HA -0.106 4.244 4.350 -0.000 0.000 0.190 567 E C 1.923 178.534 176.600 0.019 0.000 0.982 567 E CA 1.093 57.503 56.400 0.018 0.000 0.803 567 E CB -0.031 29.681 29.700 0.020 0.000 0.755 567 E HN 0.433 nan 8.360 nan 0.000 0.453 568 G N 0.417 109.228 108.800 0.018 0.000 2.511 568 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.217 568 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.217 568 G C 1.376 176.288 174.900 0.021 0.000 1.133 568 G CA 0.061 45.172 45.100 0.019 0.000 0.792 568 G HN 0.126 nan 8.290 nan 0.000 0.539 569 L N 0.627 121.863 121.223 0.022 0.000 2.007 569 L HA 0.094 4.433 4.340 -0.000 0.000 0.205 569 L C 2.654 179.544 176.870 0.033 0.000 1.073 569 L CA 1.997 56.853 54.840 0.026 0.000 0.744 569 L CB -0.762 41.311 42.059 0.023 0.000 0.898 569 L HN 0.399 nan 8.230 nan 0.000 0.435 570 E N -0.433 119.784 120.200 0.027 0.000 2.097 570 E HA -0.282 4.067 4.350 -0.000 0.000 0.196 570 E C 1.877 178.497 176.600 0.034 0.000 1.000 570 E CA 1.988 58.405 56.400 0.028 0.000 0.804 570 E CB -0.135 29.576 29.700 0.018 0.000 0.740 570 E HN 0.614 nan 8.360 nan 0.000 0.454 571 N N -0.116 118.603 118.700 0.031 0.000 2.188 571 N HA -0.128 4.612 4.740 -0.000 0.000 0.184 571 N C 1.224 176.757 175.510 0.039 0.000 1.018 571 N CA 1.128 54.197 53.050 0.032 0.000 0.858 571 N CB 0.035 38.537 38.487 0.025 0.000 0.989 571 N HN 0.169 nan 8.380 nan 0.000 0.426 572 D N 0.404 120.828 120.400 0.039 0.000 2.183 572 D HA -0.053 4.586 4.640 -0.000 0.000 0.203 572 D C 1.743 178.084 176.300 0.068 0.000 0.969 572 D CA 0.293 54.317 54.000 0.040 0.000 0.842 572 D CB -0.126 40.690 40.800 0.027 0.000 0.957 572 D HN 0.071 nan 8.370 nan 0.000 0.484 573 L N 0.715 121.992 121.223 0.090 0.000 2.083 573 L HA -0.078 4.262 4.340 -0.000 0.000 0.209 573 L C 1.838 178.815 176.870 0.178 0.000 1.083 573 L CA 1.752 56.687 54.840 0.159 0.000 0.752 573 L CB -0.328 41.798 42.059 0.112 0.000 0.899 573 L HN -0.095 nan 8.230 nan 0.000 0.433 574 K N -1.954 118.509 120.400 0.105 0.000 2.211 574 K HA 0.064 4.384 4.320 -0.000 0.000 0.201 574 K C 1.970 178.621 176.600 0.086 0.000 1.052 574 K CA 0.806 57.147 56.287 0.089 0.000 0.973 574 K CB 0.185 32.717 32.500 0.054 0.000 0.766 574 K HN 0.137 nan 8.250 nan 0.000 0.466 575 S N 0.181 115.924 115.700 0.070 0.000 2.496 575 S HA 0.020 4.490 4.470 -0.000 0.000 0.224 575 S C 0.580 175.214 174.600 0.057 0.000 0.996 575 S CA 0.007 58.240 58.200 0.055 0.000 0.927 575 S CB 0.383 63.605 63.200 0.038 0.000 0.774 575 S HN 0.028 nan 8.310 nan 0.000 0.524 576 V N 3.411 123.363 119.914 0.064 0.000 2.743 576 V HA 0.573 4.693 4.120 -0.000 0.000 0.301 576 V C -0.576 175.577 176.094 0.099 0.000 1.057 576 V CA -0.476 61.846 62.300 0.036 0.000 1.006 576 V CB 1.589 33.375 31.823 -0.060 0.000 1.024 576 V HN 0.656 nan 8.190 nan 0.000 0.473 577 N N 3.700 122.463 118.700 0.106 0.000 3.127 577 N HA 0.229 4.969 4.740 -0.000 0.000 0.239 577 N C -2.075 173.582 175.510 0.245 0.000 1.407 577 N CA -0.511 52.666 53.050 0.210 0.000 0.891 577 N CB 1.582 40.209 38.487 0.233 0.000 1.447 577 N HN 0.443 nan 8.380 nan 0.000 0.507 578 F N 1.195 121.231 119.950 0.144 0.000 2.496 578 F HA 0.296 4.823 4.527 -0.000 0.000 0.341 578 F C -0.268 175.560 175.800 0.048 0.000 1.134 578 F CA -0.697 57.342 58.000 0.065 0.000 0.968 578 F CB 0.999 40.024 39.000 0.042 0.000 1.205 578 F HN 0.465 nan 8.300 nan 0.000 0.436 579 D N 5.096 125.276 120.400 -0.366 0.000 2.434 579 D HA -0.001 4.639 4.640 -0.000 0.000 0.252 579 D C 0.418 176.402 176.300 -0.526 0.000 1.185 579 D CA 0.410 54.216 54.000 -0.324 0.000 0.886 579 D CB 1.148 41.779 40.800 -0.281 0.000 1.148 579 D HN 0.713 nan 8.370 nan 0.000 0.483 580 M N 2.610 122.018 119.600 -0.320 0.000 2.337 580 M HA 0.047 4.527 4.480 -0.000 0.000 0.256 580 M C 1.619 177.692 176.300 -0.379 0.000 1.075 580 M CA 0.118 55.141 55.300 -0.461 0.000 1.024 580 M CB 0.274 32.384 32.600 -0.817 0.000 1.429 580 M HN 0.303 nan 8.290 nan 0.000 0.497 581 T N -0.782 113.737 114.554 -0.059 0.000 2.680 581 T HA -0.204 4.146 4.350 -0.000 0.000 0.268 581 T C 1.894 176.624 174.700 0.050 0.000 1.033 581 T CA 2.108 64.276 62.100 0.114 0.000 1.152 581 T CB -0.529 68.378 68.868 0.065 0.000 0.859 581 T HN 0.454 nan 8.240 nan 0.000 0.452 582 S N 0.434 116.093 115.700 -0.068 0.000 2.345 582 S HA -0.101 4.369 4.470 -0.000 0.000 0.220 582 S C 2.078 176.650 174.600 -0.046 0.000 1.031 582 S CA 1.574 59.744 58.200 -0.051 0.000 0.996 582 S CB -0.278 62.867 63.200 -0.091 0.000 0.882 582 S HN 0.442 nan 8.310 nan 0.000 0.445 583 K N 0.227 120.550 120.400 -0.128 0.000 2.211 583 K HA -0.019 4.301 4.320 -0.000 0.000 0.204 583 K C 1.565 178.102 176.600 -0.106 0.000 1.047 583 K CA 1.531 57.732 56.287 -0.143 0.000 0.935 583 K CB -0.403 31.964 32.500 -0.221 0.000 0.728 583 K HN 0.504 nan 8.250 nan 0.000 0.452 584 F N -0.768 119.183 119.950 0.001 0.000 2.118 584 F HA -0.091 4.436 4.527 -0.000 0.000 0.293 584 F C 1.885 177.690 175.800 0.007 0.000 1.102 584 F CA -0.068 57.933 58.000 0.002 0.000 1.247 584 F CB -0.267 38.729 39.000 -0.006 0.000 1.017 584 F HN -0.056 nan 8.300 nan 0.000 0.475 585 L N 0.479 121.824 121.223 0.203 0.000 2.021 585 L HA -0.282 4.058 4.340 -0.000 0.000 0.215 585 L C 2.409 179.329 176.870 0.084 0.000 1.074 585 L CA 2.071 56.979 54.840 0.114 0.000 0.760 585 L CB -1.229 40.876 42.059 0.077 0.000 0.889 585 L HN 0.112 nan 8.230 nan 0.000 0.433 586 T N -0.852 113.742 114.554 0.068 0.000 2.643 586 T HA -0.215 4.135 4.350 -0.000 0.000 0.264 586 T C 1.829 176.564 174.700 0.058 0.000 1.045 586 T CA 1.515 63.645 62.100 0.049 0.000 1.155 586 T CB -0.588 68.299 68.868 0.031 0.000 0.863 586 T HN 0.479 nan 8.240 nan 0.000 0.420 587 A N 0.861 123.727 122.820 0.076 0.000 2.076 587 A HA -0.040 4.280 4.320 -0.000 0.000 0.220 587 A C 2.190 179.818 177.584 0.074 0.000 1.160 587 A CA 1.129 53.214 52.037 0.080 0.000 0.653 587 A CB -0.690 18.377 19.000 0.110 0.000 0.801 587 A HN 0.392 nan 8.150 nan 0.000 0.455 588 L N -0.884 120.387 121.223 0.080 0.000 2.072 588 L HA 0.106 4.446 4.340 -0.000 0.000 0.205 588 L C 2.568 179.465 176.870 0.045 0.000 1.079 588 L CA 2.071 56.946 54.840 0.059 0.000 0.752 588 L CB -0.696 41.398 42.059 0.059 0.000 0.906 588 L HN 0.291 nan 8.230 nan 0.000 0.436 589 A N -0.869 121.978 122.820 0.045 0.000 1.975 589 A HA -0.127 4.193 4.320 -0.000 0.000 0.215 589 A C 2.139 179.742 177.584 0.032 0.000 1.170 589 A CA 1.024 53.083 52.037 0.037 0.000 0.656 589 A CB -0.419 18.603 19.000 0.037 0.000 0.821 589 A HN 0.687 nan 8.150 nan 0.000 0.449 590 Q N -1.103 118.717 119.800 0.033 0.000 2.376 590 Q HA 0.085 4.425 4.340 -0.000 0.000 0.206 590 Q C -0.488 175.529 176.000 0.028 0.000 0.921 590 Q CA 0.589 56.409 55.803 0.028 0.000 0.911 590 Q CB 0.116 28.870 28.738 0.027 0.000 1.032 590 Q HN 0.363 nan 8.270 nan 0.000 0.510 591 D N -0.453 119.966 120.400 0.032 0.000 2.449 591 D HA 0.304 4.944 4.640 -0.000 0.000 0.250 591 D C 0.698 177.014 176.300 0.027 0.000 1.050 591 D CA -0.122 53.896 54.000 0.029 0.000 1.024 591 D CB 1.269 42.089 40.800 0.034 0.000 1.218 591 D HN 0.098 nan 8.370 nan 0.000 0.566 592 G N -0.624 108.190 108.800 0.023 0.000 2.433 592 G HA2 0.058 4.018 3.960 -0.000 0.000 0.216 592 G HA3 0.058 4.018 3.960 -0.000 0.000 0.216 592 G C 0.571 175.482 174.900 0.020 0.000 1.186 592 G CA 1.508 46.620 45.100 0.020 0.000 0.779 592 G HN 0.380 nan 8.290 nan 0.000 0.543 593 V N -2.686 117.241 119.914 0.022 0.000 3.156 593 V HA 0.696 4.816 4.120 -0.000 0.000 0.311 593 V C -0.625 175.488 176.094 0.031 0.000 1.208 593 V CA -1.706 60.606 62.300 0.020 0.000 1.063 593 V CB 1.911 33.741 31.823 0.012 0.000 1.098 593 V HN 0.083 nan 8.190 nan 0.000 0.452 594 I N 2.114 122.698 120.570 0.025 0.000 2.330 594 I HA 0.415 4.585 4.170 -0.000 0.000 0.289 594 I C -0.547 175.591 176.117 0.036 0.000 1.001 594 I CA -0.182 61.146 61.300 0.046 0.000 1.193 594 I CB 1.295 39.309 38.000 0.025 0.000 1.345 594 I HN 0.741 nan 8.210 nan 0.000 0.461 595 N N 5.026 123.766 118.700 0.067 0.000 2.589 595 N HA 0.087 4.827 4.740 -0.000 0.000 0.232 595 N C 0.806 176.386 175.510 0.116 0.000 1.015 595 N CA -0.451 52.638 53.050 0.066 0.000 0.931 595 N CB 0.820 39.340 38.487 0.055 0.000 1.150 595 N HN 0.601 nan 8.380 nan 0.000 0.512 596 E N 2.267 122.532 120.200 0.109 0.000 2.046 596 E HA -0.150 4.200 4.350 -0.000 0.000 0.190 596 E C 1.218 177.936 176.600 0.198 0.000 0.982 596 E CA 0.903 57.433 56.400 0.216 0.000 0.800 596 E CB -0.305 29.455 29.700 0.100 0.000 0.756 596 E HN 0.505 nan 8.360 nan 0.000 0.449 597 E N 1.003 121.276 120.200 0.122 0.000 2.072 597 E HA -0.340 4.010 4.350 -0.000 0.000 0.218 597 E C 2.070 178.732 176.600 0.104 0.000 1.051 597 E CA 2.202 58.662 56.400 0.101 0.000 0.880 597 E CB -0.618 29.120 29.700 0.063 0.000 0.783 597 E HN 0.396 nan 8.360 nan 0.000 0.473 598 A N 0.483 123.354 122.820 0.085 0.000 1.972 598 A HA -0.161 4.159 4.320 -0.000 0.000 0.219 598 A C 2.241 179.872 177.584 0.079 0.000 1.169 598 A CA 1.387 53.466 52.037 0.070 0.000 0.635 598 A CB -0.509 18.524 19.000 0.054 0.000 0.810 598 A HN 0.313 nan 8.150 nan 0.000 0.446 599 L N -0.559 120.730 121.223 0.110 0.000 2.179 599 L HA 0.002 4.342 4.340 -0.000 0.000 0.208 599 L C 2.436 179.359 176.870 0.087 0.000 1.096 599 L CA 2.085 56.982 54.840 0.095 0.000 0.779 599 L CB -0.201 41.943 42.059 0.142 0.000 0.922 599 L HN 0.285 nan 8.230 nan 0.000 0.443 600 S N -1.834 113.969 115.700 0.171 0.000 2.404 600 S HA -0.050 4.419 4.470 -0.000 0.000 0.223 600 S C 1.940 176.652 174.600 0.186 0.000 1.040 600 S CA 0.899 59.243 58.200 0.241 0.000 0.957 600 S CB -0.158 63.294 63.200 0.420 0.000 0.826 600 S HN 0.222 nan 8.310 nan 0.000 0.491 601 V N 2.943 122.935 119.914 0.129 0.000 2.252 601 V HA -0.251 3.869 4.120 -0.000 0.000 0.249 601 V C 2.991 179.124 176.094 0.065 0.000 1.056 601 V CA 2.359 64.710 62.300 0.085 0.000 1.022 601 V CB -1.531 30.328 31.823 0.060 0.000 0.641 601 V HN 0.774 nan 8.190 nan 0.000 0.445 602 T N -2.086 112.495 114.554 0.046 0.000 2.833 602 T HA -0.222 4.128 4.350 -0.000 0.000 0.269 602 T C 1.682 176.374 174.700 -0.014 0.000 1.054 602 T CA 1.740 63.848 62.100 0.013 0.000 1.135 602 T CB -0.229 68.640 68.868 0.001 0.000 0.869 602 T HN 0.437 nan 8.240 nan 0.000 0.466 603 E N 0.834 121.027 120.200 -0.012 0.000 2.190 603 E HA 0.239 4.589 4.350 -0.000 0.000 0.191 603 E C 1.924 178.533 176.600 0.015 0.000 0.978 603 E CA 0.298 56.646 56.400 -0.087 0.000 0.839 603 E CB -0.479 29.120 29.700 -0.169 0.000 0.787 603 E HN 0.525 nan 8.360 nan 0.000 0.473 604 L N 0.523 121.837 121.223 0.152 0.000 2.362 604 L HA -0.093 4.247 4.340 -0.000 0.000 0.219 604 L C 1.525 178.506 176.870 0.185 0.000 1.134 604 L CA 0.851 55.844 54.840 0.255 0.000 0.807 604 L CB -0.072 42.091 42.059 0.173 0.000 0.927 604 L HN 0.116 nan 8.230 nan 0.000 0.447 605 D N -0.445 120.003 120.400 0.081 0.000 2.271 605 D HA -0.095 4.545 4.640 -0.000 0.000 0.206 605 D C 2.291 178.597 176.300 0.009 0.000 0.967 605 D CA 0.534 54.563 54.000 0.048 0.000 0.867 605 D CB 0.265 41.079 40.800 0.024 0.000 0.960 605 D HN -0.021 nan 8.370 nan 0.000 0.509 606 R N 0.087 120.564 120.500 -0.037 0.000 2.062 606 R HA 0.001 4.341 4.340 -0.000 0.000 0.226 606 R C 1.952 178.172 176.300 -0.132 0.000 1.125 606 R CA 0.728 56.769 56.100 -0.098 0.000 0.966 606 R CB -0.183 30.017 30.300 -0.166 0.000 0.861 606 R HN 0.106 nan 8.270 nan 0.000 0.433 607 V N -0.588 119.223 119.914 -0.172 0.000 2.446 607 V HA -0.140 3.980 4.120 -0.000 0.000 0.244 607 V C 1.334 177.188 176.094 -0.400 0.000 1.039 607 V CA 1.391 63.486 62.300 -0.341 0.000 1.045 607 V CB -0.403 31.131 31.823 -0.482 0.000 0.681 607 V HN 0.269 nan 8.190 nan 0.000 0.459 608 Y N 0.269 120.560 120.300 -0.015 0.000 2.430 608 Y HA 0.370 4.920 4.550 -0.000 0.000 0.248 608 Y C 2.350 178.244 175.900 -0.009 0.000 1.108 608 Y CA 0.415 58.512 58.100 -0.006 0.000 1.264 608 Y CB -0.044 38.414 38.460 -0.003 0.000 1.172 608 Y HN 0.207 nan 8.280 nan 0.000 0.520 609 G N 0.152 109.013 108.800 0.102 0.000 2.432 609 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.219 609 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.219 609 G C 1.915 176.837 174.900 0.037 0.000 1.135 609 G CA 0.991 46.127 45.100 0.060 0.000 0.767 609 G HN 0.487 nan 8.290 nan 0.000 0.550 610 G N 0.701 109.512 108.800 0.019 0.000 2.408 610 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.217 610 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.217 610 G C 1.733 176.647 174.900 0.022 0.000 1.150 610 G CA 0.693 45.799 45.100 0.009 0.000 0.776 610 G HN 0.439 nan 8.290 nan 0.000 0.542 611 L N 0.891 122.140 121.223 0.042 0.000 2.202 611 L HA 0.049 4.389 4.340 -0.000 0.000 0.205 611 L C 3.213 180.116 176.870 0.055 0.000 1.083 611 L CA 1.399 56.272 54.840 0.054 0.000 0.790 611 L CB -0.693 41.415 42.059 0.081 0.000 0.942 611 L HN 0.278 nan 8.230 nan 0.000 0.452 612 T N -3.660 110.934 114.554 0.067 0.000 2.788 612 T HA -0.158 4.192 4.350 -0.000 0.000 0.268 612 T C 1.819 176.536 174.700 0.027 0.000 1.044 612 T CA 1.664 63.791 62.100 0.044 0.000 1.139 612 T CB -0.808 68.086 68.868 0.043 0.000 0.867 612 T HN 0.219 nan 8.240 nan 0.000 0.454 613 T N 2.224 116.794 114.554 0.026 0.000 2.652 613 T HA -0.093 4.256 4.350 -0.000 0.000 0.267 613 T C 1.973 176.681 174.700 0.014 0.000 1.039 613 T CA 1.520 63.630 62.100 0.017 0.000 1.153 613 T CB -0.289 68.587 68.868 0.014 0.000 0.863 613 T HN 0.479 nan 8.240 nan 0.000 0.428 614 K N 0.538 120.947 120.400 0.016 0.000 2.057 614 K HA -0.035 4.285 4.320 -0.000 0.000 0.207 614 K C 2.392 179.000 176.600 0.013 0.000 1.049 614 K CA 0.905 57.200 56.287 0.014 0.000 0.931 614 K CB -0.554 31.954 32.500 0.015 0.000 0.714 614 K HN 0.118 nan 8.250 nan 0.000 0.440 615 V N 1.708 121.631 119.914 0.016 0.000 2.324 615 V HA -0.279 3.841 4.120 -0.000 0.000 0.250 615 V C 2.393 178.492 176.094 0.008 0.000 1.060 615 V CA 1.706 64.014 62.300 0.013 0.000 1.042 615 V CB -0.443 31.389 31.823 0.014 0.000 0.650 615 V HN 0.352 nan 8.190 nan 0.000 0.450 616 Q N -0.198 119.607 119.800 0.008 0.000 2.167 616 Q HA -0.176 4.164 4.340 -0.000 0.000 0.202 616 Q C 2.117 178.120 176.000 0.005 0.000 0.970 616 Q CA 1.326 57.132 55.803 0.005 0.000 0.855 616 Q CB -0.309 28.432 28.738 0.005 0.000 0.911 616 Q HN 0.716 nan 8.270 nan 0.000 0.438 617 E N -0.367 119.837 120.200 0.006 0.000 2.511 617 E HA -0.015 4.335 4.350 -0.000 0.000 0.196 617 E C 1.572 178.175 176.600 0.005 0.000 1.066 617 E CA 0.090 56.493 56.400 0.005 0.000 0.871 617 E CB 0.244 29.947 29.700 0.006 0.000 0.863 617 E HN 0.072 nan 8.360 nan 0.000 0.520 618 S N 0.216 115.919 115.700 0.005 0.000 2.384 618 S HA 0.058 4.528 4.470 -0.000 0.000 0.217 618 S C 1.808 176.409 174.600 0.003 0.000 1.041 618 S CA -0.015 58.187 58.200 0.004 0.000 0.948 618 S CB 0.007 63.210 63.200 0.006 0.000 0.872 618 S HN 0.149 nan 8.310 nan 0.000 0.512 619 L N 1.826 123.050 121.223 0.002 0.000 2.010 619 L HA -0.233 4.107 4.340 -0.000 0.000 0.219 619 L C 2.544 179.415 176.870 0.001 0.000 1.077 619 L CA 1.453 56.293 54.840 0.001 0.000 0.773 619 L CB -0.444 41.615 42.059 -0.000 0.000 0.892 619 L HN 0.244 nan 8.230 nan 0.000 0.436 620 K N -0.207 120.193 120.400 0.001 0.000 2.097 620 K HA -0.193 4.127 4.320 -0.000 0.000 0.205 620 K C 2.030 178.631 176.600 0.002 0.000 1.050 620 K CA 1.116 57.404 56.287 0.002 0.000 0.938 620 K CB -0.227 32.274 32.500 0.002 0.000 0.718 620 K HN 0.309 nan 8.250 nan 0.000 0.442 621 K N 1.551 121.952 120.400 0.002 0.000 2.097 621 K HA -0.172 4.148 4.320 -0.000 0.000 0.205 621 K C 2.248 178.849 176.600 0.001 0.000 1.050 621 K CA 1.135 57.423 56.287 0.002 0.000 0.938 621 K CB 0.092 32.594 32.500 0.002 0.000 0.718 621 K HN 0.120 nan 8.250 nan 0.000 0.442 622 Q N 0.894 120.694 119.800 0.001 0.000 2.050 622 Q HA -0.229 4.111 4.340 -0.000 0.000 0.202 622 Q C 1.623 177.623 176.000 -0.001 0.000 0.980 622 Q CA 1.906 57.708 55.803 -0.001 0.000 0.840 622 Q CB 0.009 28.747 28.738 -0.001 0.000 0.898 622 Q HN 0.364 nan 8.270 nan 0.000 0.424 623 E N -0.420 119.780 120.200 -0.000 0.000 2.065 623 E HA -0.227 4.122 4.350 -0.000 0.000 0.201 623 E C 1.890 178.490 176.600 0.002 0.000 1.016 623 E CA 1.262 57.662 56.400 0.000 0.000 0.818 623 E CB -0.459 29.241 29.700 0.001 0.000 0.749 623 E HN 0.615 nan 8.360 nan 0.000 0.453 624 G N 0.770 109.571 108.800 0.002 0.000 2.440 624 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.218 624 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.218 624 G C 1.540 176.442 174.900 0.003 0.000 1.154 624 G CA 0.765 45.867 45.100 0.003 0.000 0.767 624 G HN 0.102 nan 8.290 nan 0.000 0.552 625 L N -0.092 121.131 121.223 0.001 0.000 2.141 625 L HA 0.101 4.440 4.340 -0.000 0.000 0.209 625 L C 2.668 179.537 176.870 -0.002 0.000 1.094 625 L CA 0.375 55.214 54.840 -0.001 0.000 0.763 625 L CB -0.208 41.849 42.059 -0.003 0.000 0.908 625 L HN 0.167 nan 8.230 nan 0.000 0.437 626 L N -0.410 120.812 121.223 -0.002 0.000 2.395 626 L HA -0.115 4.225 4.340 -0.000 0.000 0.218 626 L C 2.494 179.366 176.870 0.003 0.000 1.130 626 L CA 0.627 55.465 54.840 -0.003 0.000 0.826 626 L CB -0.359 41.697 42.059 -0.006 0.000 0.941 626 L HN 0.287 nan 8.230 nan 0.000 0.451 627 K N 1.828 122.231 120.400 0.006 0.000 1.980 627 K HA -0.130 4.190 4.320 -0.000 0.000 0.208 627 K C 1.194 177.804 176.600 0.017 0.000 1.043 627 K CA 1.568 57.862 56.287 0.011 0.000 0.938 627 K CB -0.007 32.498 32.500 0.009 0.000 0.724 627 K HN 0.459 nan 8.250 nan 0.000 0.438 628 N N 0.314 119.024 118.700 0.015 0.000 2.455 628 N HA 0.074 4.814 4.740 -0.000 0.000 0.258 628 N C 0.869 176.392 175.510 0.022 0.000 1.158 628 N CA -0.164 52.898 53.050 0.020 0.000 0.893 628 N CB 0.456 38.953 38.487 0.016 0.000 1.173 628 N HN 0.229 nan 8.380 nan 0.000 0.503 629 I N -0.210 120.374 120.570 0.022 0.000 3.718 629 I HA -0.047 4.122 4.170 -0.000 0.000 0.297 629 I C 2.208 178.361 176.117 0.059 0.000 1.220 629 I CA 0.191 61.505 61.300 0.024 0.000 1.381 629 I CB 0.399 38.398 38.000 -0.003 0.000 1.238 629 I HN 0.180 nan 8.210 nan 0.000 0.448 630 Q N -0.040 119.790 119.800 0.051 0.000 2.096 630 Q HA -0.132 4.208 4.340 -0.000 0.000 0.197 630 Q C 2.222 178.293 176.000 0.119 0.000 0.964 630 Q CA 1.210 57.062 55.803 0.081 0.000 0.838 630 Q CB 0.189 28.952 28.738 0.041 0.000 0.906 630 Q HN 0.283 nan 8.270 nan 0.000 0.444 631 V N 0.148 120.108 119.914 0.077 0.000 2.809 631 V HA -0.194 3.926 4.120 -0.000 0.000 0.256 631 V C 2.167 178.304 176.094 0.071 0.000 1.080 631 V CA 1.875 64.214 62.300 0.066 0.000 1.102 631 V CB 0.077 31.925 31.823 0.042 0.000 0.705 631 V HN 0.342 nan 8.190 nan 0.000 0.475 632 S N -0.746 115.002 115.700 0.081 0.000 2.348 632 S HA -0.231 4.239 4.470 -0.000 0.000 0.219 632 S C 2.036 176.709 174.600 0.122 0.000 1.033 632 S CA 1.663 59.911 58.200 0.081 0.000 0.974 632 S CB -0.540 62.695 63.200 0.060 0.000 0.868 632 S HN 0.882 nan 8.310 nan 0.000 0.459 633 H N 1.434 120.538 119.070 0.057 0.000 2.289 633 H HA -0.096 4.460 4.556 -0.000 0.000 0.296 633 H C 2.263 177.681 175.328 0.152 0.000 1.091 633 H CA 2.450 58.559 56.048 0.102 0.000 1.274 633 H CB -0.553 29.243 29.762 0.057 0.000 1.364 633 H HN 0.427 nan 8.280 nan 0.000 0.490 634 Q N 0.407 120.237 119.800 0.050 0.000 2.368 634 Q HA -0.178 4.162 4.340 -0.000 0.000 0.210 634 Q C 1.338 177.306 176.000 -0.053 0.000 0.982 634 Q CA 1.608 57.400 55.803 -0.020 0.000 0.884 634 Q CB -0.008 28.781 28.738 0.084 0.000 0.933 634 Q HN 0.699 nan 8.270 nan 0.000 0.460 635 E N -0.357 119.837 120.200 -0.010 0.000 2.060 635 E HA -0.082 4.268 4.350 -0.000 0.000 0.189 635 E C 1.745 178.337 176.600 -0.013 0.000 0.974 635 E CA 0.419 56.816 56.400 -0.004 0.000 0.808 635 E CB -0.581 29.137 29.700 0.029 0.000 0.768 635 E HN 0.370 nan 8.360 nan 0.000 0.453 636 F N 3.080 122.952 119.950 -0.130 0.000 2.147 636 F HA -0.261 4.266 4.527 -0.000 0.000 0.301 636 F C 2.387 178.090 175.800 -0.162 0.000 1.084 636 F CA 1.908 59.833 58.000 -0.126 0.000 1.268 636 F CB -0.290 38.647 39.000 -0.105 0.000 1.009 636 F HN -0.030 nan 8.300 nan 0.000 0.486 637 S N -0.828 114.701 115.700 -0.285 0.000 2.469 637 S HA -0.185 4.285 4.470 -0.000 0.000 0.238 637 S C 1.795 176.242 174.600 -0.256 0.000 0.998 637 S CA 1.045 59.057 58.200 -0.314 0.000 0.957 637 S CB -0.452 62.598 63.200 -0.251 0.000 0.764 637 S HN 0.349 nan 8.310 nan 0.000 0.514 638 K N 1.251 121.522 120.400 -0.216 0.000 2.155 638 K HA 0.294 4.614 4.320 -0.000 0.000 0.203 638 K C 1.946 178.429 176.600 -0.194 0.000 1.052 638 K CA 1.067 57.259 56.287 -0.159 0.000 0.948 638 K CB -0.484 31.954 32.500 -0.104 0.000 0.728 638 K HN 0.411 nan 8.250 nan 0.000 0.448 639 M N -0.013 119.409 119.600 -0.297 0.000 2.374 639 M HA -0.085 4.395 4.480 -0.000 0.000 0.264 639 M C -0.136 175.983 176.300 -0.301 0.000 1.067 639 M CA 1.064 56.181 55.300 -0.305 0.000 1.103 639 M CB 0.235 32.596 32.600 -0.398 0.000 1.402 639 M HN -0.246 nan 8.290 nan 0.000 0.444 640 K N 0.789 120.980 120.400 -0.349 0.000 2.183 640 K HA 0.287 4.607 4.320 -0.000 0.000 0.274 640 K C -0.484 176.033 176.600 -0.138 0.000 1.009 640 K CA -0.161 55.989 56.287 -0.229 0.000 0.888 640 K CB 1.055 33.416 32.500 -0.231 0.000 1.078 640 K HN 0.024 nan 8.250 nan 0.000 0.459 641 Q N 0.580 120.326 119.800 -0.092 0.000 2.215 641 Q HA 0.362 4.702 4.340 -0.000 0.000 0.256 641 Q C -0.603 175.373 176.000 -0.040 0.000 0.972 641 Q CA -0.532 55.234 55.803 -0.061 0.000 0.889 641 Q CB 1.846 30.554 28.738 -0.050 0.000 1.281 641 Q HN 0.503 nan 8.270 nan 0.000 0.456 642 S N 2.444 118.126 115.700 -0.029 0.000 2.464 642 S HA 0.213 4.683 4.470 -0.000 0.000 0.313 642 S C -0.312 174.281 174.600 -0.012 0.000 1.078 642 S CA -0.531 57.660 58.200 -0.016 0.000 1.096 642 S CB -0.337 62.856 63.200 -0.011 0.000 1.032 642 S HN 0.577 nan 8.310 nan 0.000 0.498 643 N N 1.872 120.567 118.700 -0.009 0.000 2.577 643 N HA 0.430 5.170 4.740 -0.000 0.000 0.285 643 N C 0.426 175.936 175.510 -0.001 0.000 1.309 643 N CA -1.000 52.047 53.050 -0.005 0.000 0.798 643 N CB 0.429 38.911 38.487 -0.007 0.000 1.463 643 N HN 0.045 nan 8.380 nan 0.000 0.518 644 N N 0.078 118.778 118.700 0.000 0.000 2.188 644 N HA -0.142 4.598 4.740 -0.000 0.000 0.184 644 N C 0.806 176.319 175.510 0.005 0.000 1.018 644 N CA 1.029 54.081 53.050 0.003 0.000 0.858 644 N CB -0.309 38.180 38.487 0.002 0.000 0.989 644 N HN 0.736 nan 8.380 nan 0.000 0.426 645 E N 0.340 120.542 120.200 0.003 0.000 2.204 645 E HA 0.019 4.369 4.350 -0.000 0.000 0.194 645 E C 1.482 178.087 176.600 0.008 0.000 0.989 645 E CA 0.805 57.208 56.400 0.005 0.000 0.824 645 E CB 0.105 29.807 29.700 0.003 0.000 0.756 645 E HN 0.393 nan 8.360 nan 0.000 0.477 646 A N 0.052 122.877 122.820 0.008 0.000 2.063 646 A HA 0.046 4.366 4.320 -0.000 0.000 0.211 646 A C 1.564 179.159 177.584 0.018 0.000 1.177 646 A CA 0.315 52.359 52.037 0.012 0.000 0.759 646 A CB -0.175 18.829 19.000 0.007 0.000 0.857 646 A HN 0.177 nan 8.150 nan 0.000 0.468 647 N N -0.297 118.412 118.700 0.015 0.000 2.244 647 N HA -0.123 4.617 4.740 -0.000 0.000 0.183 647 N C 1.599 177.121 175.510 0.020 0.000 1.016 647 N CA 1.063 54.124 53.050 0.019 0.000 0.866 647 N CB -0.108 38.388 38.487 0.015 0.000 0.980 647 N HN 0.363 nan 8.380 nan 0.000 0.430 648 L N 1.541 122.774 121.223 0.016 0.000 2.023 648 L HA -0.054 4.286 4.340 -0.000 0.000 0.205 648 L C 2.335 179.216 176.870 0.018 0.000 1.073 648 L CA 1.509 56.359 54.840 0.016 0.000 0.745 648 L CB -0.442 41.624 42.059 0.012 0.000 0.900 648 L HN -0.005 nan 8.230 nan 0.000 0.435 649 R N -0.690 119.822 120.500 0.019 0.000 2.091 649 R HA -0.190 4.149 4.340 -0.000 0.000 0.238 649 R C 2.252 178.569 176.300 0.028 0.000 1.136 649 R CA 1.561 57.673 56.100 0.021 0.000 0.959 649 R CB -0.227 30.085 30.300 0.021 0.000 0.856 649 R HN 0.434 nan 8.270 nan 0.000 0.437 650 E N 0.435 120.655 120.200 0.033 0.000 2.033 650 E HA -0.246 4.104 4.350 -0.000 0.000 0.199 650 E C 1.872 178.494 176.600 0.037 0.000 1.011 650 E CA 1.492 57.917 56.400 0.042 0.000 0.815 650 E CB -0.059 29.669 29.700 0.046 0.000 0.755 650 E HN 0.417 nan 8.360 nan 0.000 0.451 651 E N 0.057 120.276 120.200 0.031 0.000 2.077 651 E HA -0.134 4.215 4.350 -0.000 0.000 0.193 651 E C 2.264 178.881 176.600 0.029 0.000 0.989 651 E CA 0.794 57.212 56.400 0.030 0.000 0.800 651 E CB 0.090 29.806 29.700 0.026 0.000 0.746 651 E HN 0.087 nan 8.360 nan 0.000 0.452 652 V N 1.457 121.386 119.914 0.025 0.000 2.295 652 V HA -0.263 3.857 4.120 -0.000 0.000 0.246 652 V C 2.412 178.521 176.094 0.024 0.000 1.049 652 V CA 1.172 63.486 62.300 0.023 0.000 1.024 652 V CB -0.429 31.405 31.823 0.019 0.000 0.648 652 V HN 0.209 nan 8.190 nan 0.000 0.447 653 L N -0.060 121.177 121.223 0.024 0.000 1.970 653 L HA -0.162 4.177 4.340 -0.000 0.000 0.212 653 L C 2.439 179.324 176.870 0.024 0.000 1.071 653 L CA 1.815 56.668 54.840 0.022 0.000 0.751 653 L CB -1.321 40.754 42.059 0.025 0.000 0.889 653 L HN 0.298 nan 8.230 nan 0.000 0.432 654 K N -0.386 120.032 120.400 0.029 0.000 2.052 654 K HA -0.242 4.078 4.320 -0.000 0.000 0.215 654 K C 1.779 178.398 176.600 0.032 0.000 1.053 654 K CA 1.864 58.167 56.287 0.028 0.000 0.934 654 K CB -0.371 32.147 32.500 0.030 0.000 0.717 654 K HN 0.378 nan 8.250 nan 0.000 0.450 655 N N 0.893 119.614 118.700 0.036 0.000 2.244 655 N HA -0.077 4.663 4.740 -0.000 0.000 0.183 655 N C 1.869 177.408 175.510 0.048 0.000 1.016 655 N CA 0.782 53.859 53.050 0.045 0.000 0.866 655 N CB -0.261 38.255 38.487 0.047 0.000 0.980 655 N HN 0.150 nan 8.380 nan 0.000 0.430 656 L N 0.255 121.501 121.223 0.039 0.000 2.141 656 L HA -0.054 4.286 4.340 -0.000 0.000 0.209 656 L C 2.262 179.167 176.870 0.058 0.000 1.094 656 L CA 0.981 55.845 54.840 0.041 0.000 0.763 656 L CB -0.373 41.699 42.059 0.022 0.000 0.908 656 L HN 0.135 nan 8.230 nan 0.000 0.437 657 A N -0.690 122.159 122.820 0.049 0.000 1.897 657 A HA -0.148 4.172 4.320 -0.000 0.000 0.215 657 A C 2.351 179.992 177.584 0.097 0.000 1.181 657 A CA 1.948 54.025 52.037 0.068 0.000 0.620 657 A CB -0.792 18.229 19.000 0.034 0.000 0.821 657 A HN 0.305 nan 8.150 nan 0.000 0.443 658 T N 0.443 115.030 114.554 0.055 0.000 2.759 658 T HA -0.085 4.265 4.350 -0.000 0.000 0.269 658 T C 2.162 176.863 174.700 0.002 0.000 1.042 658 T CA 1.593 63.706 62.100 0.022 0.000 1.140 658 T CB -0.409 68.468 68.868 0.015 0.000 0.864 658 T HN 0.586 nan 8.240 nan 0.000 0.455 659 A N 0.372 123.219 122.820 0.045 0.000 1.933 659 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 659 A C 2.067 179.716 177.584 0.108 0.000 1.175 659 A CA 1.672 53.744 52.037 0.060 0.000 0.628 659 A CB -0.951 18.101 19.000 0.086 0.000 0.814 659 A HN 0.644 nan 8.150 nan 0.000 0.444 660 Y N 1.139 121.452 120.300 0.022 0.000 2.163 660 Y HA -0.203 4.347 4.550 -0.000 0.000 0.288 660 Y C 1.887 177.833 175.900 0.077 0.000 1.136 660 Y CA 1.924 60.053 58.100 0.048 0.000 1.147 660 Y CB -0.288 38.178 38.460 0.010 0.000 0.987 660 Y HN 0.332 nan 8.280 nan 0.000 0.509 661 D N 0.206 120.607 120.400 0.002 0.000 2.116 661 D HA -0.225 4.415 4.640 -0.000 0.000 0.193 661 D C 1.699 177.909 176.300 -0.150 0.000 0.998 661 D CA 1.991 55.929 54.000 -0.104 0.000 0.836 661 D CB -0.518 40.272 40.800 -0.016 0.000 0.951 661 D HN 0.541 nan 8.370 nan 0.000 0.449 662 N N -0.662 117.961 118.700 -0.128 0.000 2.171 662 N HA -0.079 4.661 4.740 -0.000 0.000 0.184 662 N C 1.588 177.055 175.510 -0.071 0.000 1.021 662 N CA 0.320 53.273 53.050 -0.162 0.000 0.854 662 N CB -0.225 38.043 38.487 -0.365 0.000 0.994 662 N HN 0.061 nan 8.380 nan 0.000 0.426 663 F N 1.285 121.149 119.950 -0.143 0.000 2.120 663 F HA -0.214 4.313 4.527 -0.000 0.000 0.300 663 F C 1.916 177.621 175.800 -0.157 0.000 1.095 663 F CA 1.132 59.068 58.000 -0.107 0.000 1.249 663 F CB -0.272 38.679 39.000 -0.082 0.000 0.995 663 F HN -0.177 nan 8.300 nan 0.000 0.480 664 V N 0.181 120.001 119.914 -0.156 0.000 2.307 664 V HA -0.285 3.835 4.120 -0.000 0.000 0.245 664 V C 2.340 178.310 176.094 -0.208 0.000 1.045 664 V CA 2.213 64.378 62.300 -0.226 0.000 1.024 664 V CB -0.673 30.946 31.823 -0.339 0.000 0.651 664 V HN 0.415 nan 8.190 nan 0.000 0.449 665 E N -0.244 119.852 120.200 -0.174 0.000 2.051 665 E HA -0.263 4.087 4.350 -0.000 0.000 0.192 665 E C 2.176 178.693 176.600 -0.138 0.000 0.991 665 E CA 1.440 57.761 56.400 -0.131 0.000 0.799 665 E CB -0.137 29.501 29.700 -0.104 0.000 0.748 665 E HN 0.367 nan 8.360 nan 0.000 0.449 666 L N 0.281 121.406 121.223 -0.163 0.000 2.046 666 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 666 L C 2.309 179.046 176.870 -0.222 0.000 1.077 666 L CA 1.214 55.962 54.840 -0.155 0.000 0.747 666 L CB -0.546 41.439 42.059 -0.124 0.000 0.896 666 L HN 0.085 nan 8.230 nan 0.000 0.432 667 V N -0.382 119.321 119.914 -0.353 0.000 2.343 667 V HA -0.289 3.831 4.120 -0.000 0.000 0.247 667 V C 2.719 178.702 176.094 -0.185 0.000 1.051 667 V CA 1.568 63.669 62.300 -0.332 0.000 1.036 667 V CB -1.032 30.512 31.823 -0.466 0.000 0.654 667 V HN 0.569 nan 8.190 nan 0.000 0.451 668 A N 0.216 122.943 122.820 -0.156 0.000 1.877 668 A HA -0.224 4.096 4.320 -0.000 0.000 0.216 668 A C 2.064 179.597 177.584 -0.085 0.000 1.186 668 A CA 2.021 53.998 52.037 -0.099 0.000 0.620 668 A CB -0.663 18.286 19.000 -0.085 0.000 0.822 668 A HN 0.589 nan 8.150 nan 0.000 0.443 669 N N 0.178 118.823 118.700 -0.092 0.000 2.084 669 N HA -0.103 4.637 4.740 -0.000 0.000 0.190 669 N C 1.665 177.130 175.510 -0.074 0.000 1.030 669 N CA 1.433 54.436 53.050 -0.079 0.000 0.849 669 N CB -0.561 37.882 38.487 -0.073 0.000 1.012 669 N HN 0.488 nan 8.380 nan 0.000 0.423 670 L N 1.078 122.250 121.223 -0.086 0.000 2.083 670 L HA -0.114 4.226 4.340 -0.000 0.000 0.209 670 L C 2.095 178.939 176.870 -0.044 0.000 1.083 670 L CA 1.193 55.990 54.840 -0.072 0.000 0.752 670 L CB -0.188 41.806 42.059 -0.107 0.000 0.899 670 L HN 0.122 nan 8.230 nan 0.000 0.433 671 K N -0.620 119.749 120.400 -0.052 0.000 2.365 671 K HA -0.158 4.162 4.320 -0.000 0.000 0.199 671 K C 1.924 178.518 176.600 -0.010 0.000 1.045 671 K CA 0.627 56.898 56.287 -0.027 0.000 0.962 671 K CB 0.069 32.549 32.500 -0.034 0.000 0.759 671 K HN 0.333 nan 8.250 nan 0.000 0.469 672 E N 0.480 120.665 120.200 -0.024 0.000 2.028 672 E HA -0.115 4.235 4.350 -0.000 0.000 0.190 672 E C 2.080 178.678 176.600 -0.004 0.000 0.984 672 E CA 0.981 57.370 56.400 -0.019 0.000 0.800 672 E CB -0.069 29.601 29.700 -0.049 0.000 0.758 672 E HN 0.323 nan 8.360 nan 0.000 0.448 673 G N 0.171 108.951 108.800 -0.034 0.000 2.469 673 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.220 673 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.220 673 G C 1.608 176.576 174.900 0.114 0.000 1.136 673 G CA 1.494 46.576 45.100 -0.031 0.000 0.759 673 G HN 0.279 nan 8.290 nan 0.000 0.562 674 T N 0.022 114.644 114.554 0.113 0.000 2.737 674 T HA -0.028 4.322 4.350 -0.000 0.000 0.265 674 T C 2.255 177.025 174.700 0.116 0.000 1.038 674 T CA 1.355 63.539 62.100 0.139 0.000 1.144 674 T CB -0.123 68.788 68.868 0.071 0.000 0.866 674 T HN 0.282 nan 8.240 nan 0.000 0.434 675 K N -0.014 120.431 120.400 0.076 0.000 2.097 675 K HA -0.071 4.249 4.320 -0.000 0.000 0.206 675 K C 2.073 178.705 176.600 0.054 0.000 1.049 675 K CA 1.022 57.340 56.287 0.052 0.000 0.933 675 K CB -0.257 32.265 32.500 0.037 0.000 0.717 675 K HN 0.340 nan 8.250 nan 0.000 0.442 676 F N 0.445 120.351 119.950 -0.075 0.000 2.051 676 F HA -0.249 4.277 4.527 -0.000 0.000 0.296 676 F C 1.693 177.438 175.800 -0.091 0.000 1.122 676 F CA 1.575 59.495 58.000 -0.134 0.000 1.201 676 F CB -0.553 38.284 39.000 -0.271 0.000 0.978 676 F HN 0.032 nan 8.300 nan 0.000 0.472 677 Y N 0.340 120.646 120.300 0.010 0.000 2.421 677 Y HA -0.198 4.351 4.550 -0.000 0.000 0.292 677 Y C 2.131 177.931 175.900 -0.166 0.000 1.136 677 Y CA 0.716 58.744 58.100 -0.120 0.000 1.255 677 Y CB -0.412 38.090 38.460 0.069 0.000 0.991 677 Y HN 0.176 nan 8.280 nan 0.000 0.552 678 N N 0.065 118.779 118.700 0.024 0.000 2.207 678 N HA -0.125 4.615 4.740 -0.000 0.000 0.182 678 N C 1.634 177.098 175.510 -0.077 0.000 1.020 678 N CA 1.005 54.045 53.050 -0.017 0.000 0.858 678 N CB -0.218 38.273 38.487 0.007 0.000 0.991 678 N HN 0.373 nan 8.380 nan 0.000 0.427 679 E N 0.207 120.333 120.200 -0.124 0.000 2.150 679 E HA -0.063 4.287 4.350 -0.000 0.000 0.193 679 E C 1.733 178.213 176.600 -0.199 0.000 0.985 679 E CA 0.329 56.647 56.400 -0.137 0.000 0.814 679 E CB -0.001 29.628 29.700 -0.119 0.000 0.752 679 E HN 0.100 nan 8.360 nan 0.000 0.466 680 L N 0.195 121.217 121.223 -0.334 0.000 2.141 680 L HA -0.101 4.239 4.340 -0.000 0.000 0.209 680 L C 2.051 178.785 176.870 -0.227 0.000 1.094 680 L CA 1.734 56.358 54.840 -0.360 0.000 0.763 680 L CB -0.644 41.073 42.059 -0.571 0.000 0.908 680 L HN 0.066 nan 8.230 nan 0.000 0.437 681 T N -0.421 114.040 114.554 -0.155 0.000 2.684 681 T HA -0.174 4.176 4.350 -0.000 0.000 0.267 681 T C 1.742 176.384 174.700 -0.097 0.000 1.036 681 T CA 1.537 63.572 62.100 -0.109 0.000 1.148 681 T CB -0.208 68.619 68.868 -0.069 0.000 0.863 681 T HN 0.369 nan 8.240 nan 0.000 0.436 682 E N 0.780 120.929 120.200 -0.085 0.000 2.070 682 E HA -0.131 4.218 4.350 -0.000 0.000 0.197 682 E C 2.325 178.890 176.600 -0.058 0.000 1.004 682 E CA 1.013 57.377 56.400 -0.059 0.000 0.805 682 E CB -0.335 29.337 29.700 -0.047 0.000 0.744 682 E HN 0.426 nan 8.360 nan 0.000 0.451 683 I N 0.727 121.243 120.570 -0.091 0.000 2.127 683 I HA -0.271 3.899 4.170 -0.000 0.000 0.241 683 I C 2.653 178.692 176.117 -0.131 0.000 1.075 683 I CA 1.123 62.373 61.300 -0.083 0.000 1.334 683 I CB -1.095 36.843 38.000 -0.103 0.000 1.040 683 I HN 0.116 nan 8.210 nan 0.000 0.405 684 L N 0.001 121.083 121.223 -0.235 0.000 2.217 684 L HA -0.127 4.213 4.340 -0.000 0.000 0.211 684 L C 2.610 179.458 176.870 -0.037 0.000 1.107 684 L CA 0.477 55.175 54.840 -0.236 0.000 0.783 684 L CB -0.318 41.570 42.059 -0.285 0.000 0.919 684 L HN 0.034 nan 8.230 nan 0.000 0.442 685 V N -0.263 119.630 119.914 -0.036 0.000 2.323 685 V HA -0.228 3.892 4.120 -0.000 0.000 0.244 685 V C 2.551 178.653 176.094 0.014 0.000 1.041 685 V CA 1.570 63.864 62.300 -0.010 0.000 1.025 685 V CB -0.496 31.315 31.823 -0.020 0.000 0.656 685 V HN 0.412 nan 8.190 nan 0.000 0.451 686 R N -0.978 119.539 120.500 0.028 0.000 2.120 686 R HA -0.183 4.157 4.340 -0.000 0.000 0.234 686 R C 2.210 178.564 176.300 0.091 0.000 1.123 686 R CA 1.865 57.996 56.100 0.051 0.000 0.975 686 R CB -0.474 29.863 30.300 0.062 0.000 0.866 686 R HN 0.552 nan 8.270 nan 0.000 0.446 687 F N 1.818 121.753 119.950 -0.026 0.000 2.206 687 F HA -0.157 4.370 4.527 -0.000 0.000 0.298 687 F C 2.616 178.410 175.800 -0.009 0.000 1.090 687 F CA 1.507 59.512 58.000 0.008 0.000 1.323 687 F CB -0.148 38.848 39.000 -0.007 0.000 1.028 687 F HN -0.079 nan 8.300 nan 0.000 0.492 688 Q N 0.415 120.191 119.800 -0.041 0.000 2.079 688 Q HA -0.221 4.119 4.340 -0.000 0.000 0.200 688 Q C 1.765 177.685 176.000 -0.134 0.000 0.974 688 Q CA 2.256 57.988 55.803 -0.118 0.000 0.840 688 Q CB -0.394 28.333 28.738 -0.018 0.000 0.898 688 Q HN 0.510 nan 8.270 nan 0.000 0.430 689 N N -0.063 118.594 118.700 -0.073 0.000 2.166 689 N HA -0.138 4.602 4.740 -0.000 0.000 0.186 689 N C 1.423 176.893 175.510 -0.067 0.000 1.019 689 N CA 1.289 54.312 53.050 -0.044 0.000 0.856 689 N CB -0.021 38.458 38.487 -0.015 0.000 0.993 689 N HN 0.170 nan 8.380 nan 0.000 0.426 690 K N 0.027 120.358 120.400 -0.114 0.000 2.211 690 K HA -0.022 4.298 4.320 -0.000 0.000 0.203 690 K C 1.416 177.889 176.600 -0.212 0.000 1.050 690 K CA 0.799 57.011 56.287 -0.126 0.000 0.945 690 K CB -0.028 32.412 32.500 -0.100 0.000 0.732 690 K HN 0.263 nan 8.250 nan 0.000 0.451 691 C N 0.197 119.290 119.300 -0.344 0.000 2.475 691 C HA -0.017 4.443 4.460 -0.000 0.000 0.279 691 C C 2.836 177.692 174.990 -0.223 0.000 1.322 691 C CA 1.111 59.902 59.018 -0.378 0.000 1.734 691 C CB -0.526 26.920 27.740 -0.490 0.000 2.005 691 C HN 0.642 nan 8.230 nan 0.000 0.495 692 S N 0.696 116.344 115.700 -0.088 0.000 2.425 692 S HA -0.094 4.376 4.470 -0.000 0.000 0.225 692 S C 1.195 175.940 174.600 0.241 0.000 1.024 692 S CA 1.222 59.486 58.200 0.106 0.000 0.951 692 S CB -0.433 62.911 63.200 0.239 0.000 0.796 692 S HN 0.484 nan 8.310 nan 0.000 0.498 693 D N 1.948 122.414 120.400 0.109 0.000 2.117 693 D HA 0.009 4.649 4.640 -0.000 0.000 0.197 693 D C 1.739 178.095 176.300 0.092 0.000 0.987 693 D CA 0.822 54.891 54.000 0.115 0.000 0.829 693 D CB -0.197 40.633 40.800 0.050 0.000 0.961 693 D HN 0.333 nan 8.370 nan 0.000 0.460 694 I N 0.370 120.948 120.570 0.013 0.000 2.876 694 I HA -0.072 4.098 4.170 -0.000 0.000 0.264 694 I C 2.034 178.155 176.117 0.006 0.000 1.204 694 I CA 0.448 61.761 61.300 0.022 0.000 1.485 694 I CB -0.479 37.529 38.000 0.015 0.000 1.103 694 I HN -0.113 nan 8.210 nan 0.000 0.446 695 V N -0.137 119.684 119.914 -0.155 0.000 3.306 695 V HA -0.091 4.029 4.120 -0.000 0.000 0.264 695 V C 1.600 177.402 176.094 -0.487 0.000 1.149 695 V CA 1.178 63.274 62.300 -0.341 0.000 1.143 695 V CB -0.412 31.060 31.823 -0.585 0.000 0.767 695 V HN 0.196 nan 8.190 nan 0.000 0.476 696 F N -0.936 119.038 119.950 0.040 0.000 2.752 696 F HA 0.421 4.948 4.527 -0.000 0.000 0.310 696 F C 2.061 177.883 175.800 0.038 0.000 1.097 696 F CA 0.490 58.512 58.000 0.037 0.000 1.238 696 F CB -0.299 38.710 39.000 0.015 0.000 1.061 696 F HN 0.039 nan 8.300 nan 0.000 0.591 697 A N -0.019 122.903 122.820 0.170 0.000 1.970 697 A HA 0.059 4.379 4.320 -0.000 0.000 0.216 697 A C 1.784 179.416 177.584 0.081 0.000 1.170 697 A CA 0.677 52.778 52.037 0.108 0.000 0.645 697 A CB -0.105 18.944 19.000 0.081 0.000 0.816 697 A HN -0.019 nan 8.150 nan 0.000 0.447 698 R N 0.000 120.548 120.500 0.080 0.000 2.786 698 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 698 R CA 0.000 56.139 56.100 0.064 0.000 0.921 698 R CB 0.000 30.347 30.300 0.078 0.000 0.687 698 R HN 0.000 nan 8.270 nan 0.000 0.535