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 1elx_1_A DATA FIRST_RESID 1 DATA SEQUENCE TPEMPVLENR AAQGDITAPG GARRLTGDQT AALRDSLSDK PAKNIILLIG DATA SEQUENCE DGMGDSEITA ARNYAEGAGG FFKGIDALPL TGQYTHYALN KKTGKPDYVT DATA SEQUENCE DAAASATAWS TGVKTYNGAL GVDIHEKDHP TILEMAKAAG LATGNVSTAE DATA SEQUENCE LQDATPAALV AHVTSRKcYG PSATSEKcPG NALEKGGKGS ITEQLLNARA DATA SEQUENCE DVTLGGGAKT FAETATAGEW QGKTLREQAQ ARGYQLVSDA ASLNSVTEAN DATA SEQUENCE QQKPLLGLFA DGNMPVRWLG PKATYHGNID KPAVTcTPNP QRNDSVPTLA DATA SEQUENCE QMTDKAIELL SKNEKGFFLQ VEGASIDKQD HAANPcGQIG ETVDLDEAVQ DATA SEQUENCE RALEFAKKEG NTLVIVTADH AHASQIVAPD TKAPGLTQAL NTKDGAVMVM DATA SEQUENCE SYGNSEEDSQ EHTGSQLRIA AYGPHAANVV GLTDQTDLFY TMKAALGLK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.689 174.700 -0.018 0.000 1.109 1 T CA 0.000 62.088 62.100 -0.020 0.000 1.349 1 T CB 0.000 68.852 68.868 -0.026 0.000 0.612 2 P HA 0.431 nan 4.420 nan 0.000 0.258 2 P C -0.586 176.704 177.300 -0.015 0.000 1.214 2 P CA 0.114 63.203 63.100 -0.018 0.000 0.872 2 P CB -0.012 31.673 31.700 -0.025 0.000 0.890 3 E N 2.748 122.948 120.200 -0.001 0.000 2.344 3 E HA 0.164 4.514 4.350 -0.001 0.000 0.270 3 E C -0.051 176.570 176.600 0.035 0.000 1.021 3 E CA 0.332 56.744 56.400 0.019 0.000 0.887 3 E CB 0.280 29.996 29.700 0.027 0.000 0.997 3 E HN 0.373 nan 8.360 nan 0.000 0.429 4 M N 5.833 125.469 119.600 0.061 0.000 2.084 4 M HA 0.296 4.775 4.480 -0.001 0.000 0.351 4 M C -2.100 174.348 176.300 0.246 0.000 1.240 4 M CA -1.952 53.399 55.300 0.084 0.000 1.083 4 M CB 1.125 33.684 32.600 -0.069 0.000 1.593 4 M HN 0.196 nan 8.290 nan 0.000 0.463 5 P HA 0.016 nan 4.420 nan 0.000 0.266 5 P C -1.053 176.361 177.300 0.190 0.000 1.195 5 P CA -0.297 62.886 63.100 0.139 0.000 0.768 5 P CB 0.568 32.315 31.700 0.078 0.000 0.838 6 V N 5.567 125.502 119.914 0.036 0.000 2.350 6 V HA 0.249 4.369 4.120 -0.001 0.000 0.285 6 V C -0.295 175.796 176.094 -0.005 0.000 1.014 6 V CA -0.973 61.266 62.300 -0.102 0.000 0.831 6 V CB 0.215 31.803 31.823 -0.392 0.000 1.000 6 V HN 0.335 nan 8.190 nan 0.000 0.433 7 L N 5.788 127.045 121.223 0.056 0.000 2.878 7 L HA -0.097 4.243 4.340 -0.001 0.000 0.285 7 L C 1.421 178.368 176.870 0.128 0.000 1.090 7 L CA 0.497 55.394 54.840 0.095 0.000 1.030 7 L CB -0.369 41.791 42.059 0.167 0.000 1.431 7 L HN 0.768 nan 8.230 nan 0.000 0.456 8 E N 2.099 122.309 120.200 0.017 0.000 2.051 8 E HA -0.079 4.271 4.350 -0.001 0.000 0.189 8 E C 0.475 176.965 176.600 -0.183 0.000 0.979 8 E CA 0.924 57.320 56.400 -0.007 0.000 0.803 8 E CB 0.239 29.921 29.700 -0.030 0.000 0.761 8 E HN 0.620 nan 8.360 nan 0.000 0.451 9 N N -0.368 118.098 118.700 -0.390 0.000 2.558 9 N HA 0.151 4.891 4.740 -0.001 0.000 0.285 9 N C -0.976 174.049 175.510 -0.808 0.000 1.112 9 N CA -0.264 52.333 53.050 -0.754 0.000 0.857 9 N CB 0.671 38.928 38.487 -0.384 0.000 1.376 9 N HN -0.177 nan 8.380 nan 0.000 0.526 10 R N 1.578 121.222 120.500 -1.426 0.000 2.633 10 R HA 0.394 4.734 4.340 -0.001 0.000 0.348 10 R C -0.144 175.976 176.300 -0.299 0.000 1.100 10 R CA -0.278 55.507 56.100 -0.526 0.000 1.068 10 R CB 0.326 30.593 30.300 -0.055 0.000 1.351 10 R HN 0.488 nan 8.270 nan 0.000 0.575 11 A N 0.853 123.431 122.820 -0.404 0.000 2.296 11 A HA 0.642 4.961 4.320 -0.001 0.000 0.264 11 A C 0.285 177.811 177.584 -0.096 0.000 1.097 11 A CA -0.244 51.725 52.037 -0.113 0.000 0.811 11 A CB 0.359 19.307 19.000 -0.087 0.000 1.072 11 A HN 0.330 nan 8.150 nan 0.000 0.495 12 A N -0.174 122.618 122.820 -0.046 0.000 2.498 12 A HA 0.331 4.650 4.320 -0.001 0.000 0.239 12 A C 0.928 178.480 177.584 -0.053 0.000 1.068 12 A CA -0.143 51.869 52.037 -0.041 0.000 0.766 12 A CB 0.101 19.085 19.000 -0.026 0.000 1.003 12 A HN 0.783 nan 8.150 nan 0.000 0.497 13 Q N 0.783 120.554 119.800 -0.049 0.000 2.230 13 Q HA 0.115 4.454 4.340 -0.001 0.000 0.202 13 Q C 1.164 177.142 176.000 -0.037 0.000 0.963 13 Q CA 1.561 57.335 55.803 -0.048 0.000 0.866 13 Q CB -0.045 28.668 28.738 -0.043 0.000 0.931 13 Q HN 1.028 nan 8.270 nan 0.000 0.452 14 G N -0.529 108.253 108.800 -0.031 0.000 2.947 14 G HA2 -0.015 3.944 3.960 -0.001 0.000 0.115 14 G HA3 -0.015 3.944 3.960 -0.001 0.000 0.115 14 G C -1.473 173.413 174.900 -0.022 0.000 1.214 14 G CA -0.291 44.793 45.100 -0.026 0.000 1.324 14 G HN 0.111 nan 8.290 nan 0.000 0.645 15 D N 1.664 122.052 120.400 -0.019 0.000 2.358 15 D HA 0.189 4.829 4.640 -0.001 0.000 0.258 15 D C 1.942 178.233 176.300 -0.016 0.000 1.223 15 D CA -0.251 53.738 54.000 -0.017 0.000 0.886 15 D CB 0.658 41.449 40.800 -0.015 0.000 1.120 15 D HN 0.490 nan 8.370 nan 0.000 0.482 16 I N 1.415 121.976 120.570 -0.016 0.000 2.756 16 I HA -0.103 4.066 4.170 -0.001 0.000 0.262 16 I C 1.407 177.517 176.117 -0.012 0.000 1.225 16 I CA 1.098 62.390 61.300 -0.014 0.000 1.472 16 I CB -0.420 37.571 38.000 -0.014 0.000 1.094 16 I HN 0.334 nan 8.210 nan 0.000 0.454 17 T N -1.168 113.379 114.554 -0.012 0.000 3.081 17 T HA 0.477 4.826 4.350 -0.001 0.000 0.255 17 T C 0.863 175.558 174.700 -0.010 0.000 1.113 17 T CA 0.185 62.279 62.100 -0.010 0.000 1.082 17 T CB -0.193 68.668 68.868 -0.010 0.000 0.939 17 T HN 0.416 nan 8.240 nan 0.000 0.506 18 A N 2.091 124.904 122.820 -0.011 0.000 2.282 18 A HA 0.714 5.033 4.320 -0.001 0.000 0.319 18 A C -2.708 174.870 177.584 -0.010 0.000 1.121 18 A CA -2.185 49.846 52.037 -0.010 0.000 0.836 18 A CB 0.263 19.256 19.000 -0.011 0.000 1.146 18 A HN 0.191 nan 8.150 nan 0.000 0.494 19 P HA 0.284 nan 4.420 nan 0.000 0.266 19 P C 0.876 178.170 177.300 -0.010 0.000 1.215 19 P CA 1.842 64.937 63.100 -0.009 0.000 0.763 19 P CB 0.552 32.247 31.700 -0.008 0.000 0.806 20 G N 3.088 111.882 108.800 -0.010 0.000 2.184 20 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.264 20 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.264 20 G C 1.179 176.070 174.900 -0.016 0.000 0.975 20 G CA 0.287 45.379 45.100 -0.013 0.000 0.642 20 G HN 0.700 nan 8.290 nan 0.000 0.536 21 G N 0.142 108.933 108.800 -0.015 0.000 2.430 21 G HA2 0.344 4.303 3.960 -0.001 0.000 0.216 21 G HA3 0.344 4.303 3.960 -0.001 0.000 0.216 21 G C 1.695 176.583 174.900 -0.019 0.000 1.146 21 G CA 1.731 46.820 45.100 -0.017 0.000 0.793 21 G HN 1.510 nan 8.290 nan 0.000 0.537 22 A N 0.282 123.093 122.820 -0.016 0.000 2.238 22 A HA 0.304 4.624 4.320 -0.001 0.000 0.208 22 A C 1.332 178.907 177.584 -0.015 0.000 1.177 22 A CA -0.366 51.663 52.037 -0.014 0.000 0.804 22 A CB -0.088 18.906 19.000 -0.010 0.000 0.823 22 A HN 0.307 nan 8.150 nan 0.000 0.482 23 R N 0.025 120.513 120.500 -0.019 0.000 2.590 23 R HA 0.229 4.568 4.340 -0.001 0.000 0.274 23 R C 0.425 176.706 176.300 -0.032 0.000 1.061 23 R CA -0.114 55.974 56.100 -0.021 0.000 1.081 23 R CB 0.475 30.762 30.300 -0.022 0.000 0.984 23 R HN 0.380 nan 8.270 nan 0.000 0.448 24 R N 1.448 121.930 120.500 -0.030 0.000 2.206 24 R HA 0.193 4.533 4.340 -0.001 0.000 0.198 24 R C 0.515 176.776 176.300 -0.065 0.000 0.986 24 R CA 0.250 56.319 56.100 -0.052 0.000 1.029 24 R CB 0.232 30.517 30.300 -0.024 0.000 0.966 24 R HN 0.391 nan 8.270 nan 0.000 0.487 25 L N 1.167 122.366 121.223 -0.040 0.000 2.375 25 L HA 0.163 4.502 4.340 -0.001 0.000 0.271 25 L C 1.290 178.135 176.870 -0.040 0.000 1.107 25 L CA 0.058 54.876 54.840 -0.037 0.000 0.806 25 L CB 1.625 43.672 42.059 -0.020 0.000 1.146 25 L HN 0.185 nan 8.230 nan 0.000 0.447 26 T N -2.527 112.002 114.554 -0.041 0.000 2.964 26 T HA 0.331 4.680 4.350 -0.001 0.000 0.249 26 T C 0.529 175.213 174.700 -0.027 0.000 1.000 26 T CA 0.266 62.343 62.100 -0.038 0.000 0.992 26 T CB 0.868 69.708 68.868 -0.047 0.000 1.087 26 T HN 0.697 nan 8.240 nan 0.000 0.489 27 G N 0.346 109.132 108.800 -0.023 0.000 2.911 27 G HA2 0.522 4.481 3.960 -0.001 0.000 0.299 27 G HA3 0.522 4.481 3.960 -0.001 0.000 0.299 27 G C -2.042 172.851 174.900 -0.012 0.000 1.283 27 G CA -0.705 44.385 45.100 -0.016 0.000 0.805 27 G HN 0.200 nan 8.290 nan 0.000 0.548 28 D N -1.092 119.303 120.400 -0.008 0.000 2.304 28 D HA 0.442 5.082 4.640 -0.001 0.000 0.250 28 D C 1.162 177.460 176.300 -0.002 0.000 1.107 28 D CA -0.190 53.808 54.000 -0.004 0.000 0.885 28 D CB 1.606 42.404 40.800 -0.003 0.000 1.192 28 D HN 0.165 nan 8.370 nan 0.000 0.436 29 Q N 1.058 120.859 119.800 0.001 0.000 2.096 29 Q HA -0.046 4.294 4.340 -0.001 0.000 0.197 29 Q C 1.761 177.764 176.000 0.006 0.000 0.964 29 Q CA 1.107 56.913 55.803 0.005 0.000 0.838 29 Q CB -0.420 28.324 28.738 0.010 0.000 0.906 29 Q HN 0.687 nan 8.270 nan 0.000 0.444 30 T N 0.821 115.377 114.554 0.005 0.000 2.582 30 T HA -0.399 3.950 4.350 -0.001 0.000 0.238 30 T C 1.648 176.349 174.700 0.003 0.000 1.283 30 T CA 2.485 64.587 62.100 0.004 0.000 1.101 30 T CB -0.929 67.940 68.868 0.002 0.000 0.823 30 T HN 0.503 nan 8.240 nan 0.000 0.467 31 A N 1.254 124.075 122.820 0.002 0.000 1.873 31 A HA 0.274 4.594 4.320 -0.001 0.000 0.215 31 A C 2.720 180.306 177.584 0.003 0.000 1.186 31 A CA 2.131 54.168 52.037 0.001 0.000 0.616 31 A CB -1.209 17.791 19.000 -0.001 0.000 0.823 31 A HN 0.666 nan 8.150 nan 0.000 0.442 32 A N -0.884 121.940 122.820 0.007 0.000 1.933 32 A HA -0.037 4.282 4.320 -0.001 0.000 0.218 32 A C 2.131 179.726 177.584 0.019 0.000 1.175 32 A CA 1.698 53.743 52.037 0.013 0.000 0.628 32 A CB -0.517 18.491 19.000 0.014 0.000 0.814 32 A HN 0.474 nan 8.150 nan 0.000 0.444 33 L N -0.702 120.530 121.223 0.015 0.000 2.109 33 L HA -0.048 4.291 4.340 -0.001 0.000 0.207 33 L C 2.594 179.467 176.870 0.005 0.000 1.086 33 L CA 1.402 56.251 54.840 0.016 0.000 0.760 33 L CB -0.348 41.720 42.059 0.014 0.000 0.910 33 L HN 0.303 nan 8.230 nan 0.000 0.437 34 R N -0.352 120.148 120.500 0.001 0.000 2.083 34 R HA -0.178 4.162 4.340 -0.001 0.000 0.237 34 R C 1.322 177.614 176.300 -0.012 0.000 1.137 34 R CA 1.679 57.775 56.100 -0.007 0.000 0.951 34 R CB -0.500 29.796 30.300 -0.007 0.000 0.851 34 R HN 0.359 nan 8.270 nan 0.000 0.434 35 D N -0.462 119.935 120.400 -0.005 0.000 2.392 35 D HA -0.028 4.611 4.640 -0.001 0.000 0.228 35 D C 0.864 177.157 176.300 -0.011 0.000 1.003 35 D CA 0.751 54.746 54.000 -0.007 0.000 0.917 35 D CB 0.239 41.041 40.800 0.003 0.000 0.890 35 D HN 0.079 nan 8.370 nan 0.000 0.532 36 S N -0.729 114.962 115.700 -0.014 0.000 2.512 36 S HA 0.193 4.663 4.470 -0.001 0.000 0.216 36 S C 0.847 175.402 174.600 -0.074 0.000 1.006 36 S CA -0.352 57.829 58.200 -0.031 0.000 0.915 36 S CB 0.878 64.086 63.200 0.013 0.000 0.824 36 S HN 0.168 nan 8.310 nan 0.000 0.497 37 L N 2.684 123.872 121.223 -0.060 0.000 2.325 37 L HA 0.456 4.796 4.340 -0.001 0.000 0.284 37 L C 0.138 176.948 176.870 -0.101 0.000 1.089 37 L CA -0.148 54.647 54.840 -0.075 0.000 0.836 37 L CB 0.877 42.906 42.059 -0.050 0.000 1.184 37 L HN 0.082 nan 8.230 nan 0.000 0.444 38 S N 1.252 116.864 115.700 -0.147 0.000 2.536 38 S HA 0.382 4.851 4.470 -0.001 0.000 0.271 38 S C -0.444 173.983 174.600 -0.288 0.000 1.134 38 S CA -0.829 57.265 58.200 -0.176 0.000 0.897 38 S CB 1.596 64.695 63.200 -0.168 0.000 1.094 38 S HN 0.674 nan 8.310 nan 0.000 0.473 39 D N 2.282 122.509 120.400 -0.288 0.000 2.501 39 D HA 0.224 4.863 4.640 -0.001 0.000 0.226 39 D C 0.263 176.342 176.300 -0.369 0.000 1.198 39 D CA -0.335 53.383 54.000 -0.471 0.000 0.830 39 D CB -0.006 40.656 40.800 -0.230 0.000 1.014 39 D HN 0.407 nan 8.370 nan 0.000 0.496 40 K N 1.441 121.692 120.400 -0.247 0.000 2.336 40 K HA 0.161 4.480 4.320 -0.001 0.000 0.262 40 K C -2.284 174.306 176.600 -0.017 0.000 0.992 40 K CA -1.205 55.022 56.287 -0.100 0.000 0.927 40 K CB 0.498 32.945 32.500 -0.090 0.000 0.956 40 K HN 0.065 nan 8.250 nan 0.000 0.495 41 P HA 0.137 nan 4.420 nan 0.000 0.290 41 P C -1.477 175.882 177.300 0.098 0.000 1.276 41 P CA -0.489 62.724 63.100 0.187 0.000 0.808 41 P CB 1.510 33.268 31.700 0.097 0.000 0.966 42 A N 3.803 126.695 122.820 0.120 0.000 2.450 42 A HA 0.114 4.433 4.320 -0.001 0.000 0.255 42 A C 1.503 179.079 177.584 -0.013 0.000 1.096 42 A CA -0.191 51.868 52.037 0.037 0.000 0.778 42 A CB -0.027 18.995 19.000 0.038 0.000 1.031 42 A HN 0.553 nan 8.150 nan 0.000 0.494 43 K N 1.283 121.658 120.400 -0.041 0.000 2.062 43 K HA -0.053 4.266 4.320 -0.001 0.000 0.205 43 K C 0.203 176.717 176.600 -0.144 0.000 1.051 43 K CA 1.162 57.408 56.287 -0.068 0.000 0.941 43 K CB -0.029 32.432 32.500 -0.064 0.000 0.719 43 K HN 0.916 nan 8.250 nan 0.000 0.440 44 N N -0.625 117.948 118.700 -0.211 0.000 2.761 44 N HA 0.415 5.155 4.740 -0.001 0.000 0.283 44 N C -0.793 174.611 175.510 -0.178 0.000 1.377 44 N CA -0.633 52.183 53.050 -0.391 0.000 0.791 44 N CB 1.970 39.801 38.487 -1.094 0.000 1.540 44 N HN -0.129 nan 8.380 nan 0.000 0.539 45 I N 0.808 121.294 120.570 -0.139 0.000 2.722 45 I HA 0.381 4.551 4.170 -0.001 0.000 0.292 45 I C -1.334 174.732 176.117 -0.085 0.000 1.267 45 I CA -0.540 60.742 61.300 -0.031 0.000 1.036 45 I CB 2.527 40.571 38.000 0.074 0.000 1.281 45 I HN 0.355 nan 8.210 nan 0.000 0.423 46 I N 6.555 127.085 120.570 -0.066 0.000 2.447 46 I HA 0.366 4.535 4.170 -0.001 0.000 0.287 46 I C -1.123 174.906 176.117 -0.147 0.000 1.023 46 I CA -0.733 60.491 61.300 -0.126 0.000 1.083 46 I CB 2.035 40.017 38.000 -0.029 0.000 1.245 46 I HN 0.233 nan 8.210 nan 0.000 0.434 47 L N 7.980 129.064 121.223 -0.231 0.000 2.298 47 L HA 0.519 4.858 4.340 -0.001 0.000 0.284 47 L C -1.279 175.465 176.870 -0.209 0.000 1.013 47 L CA -0.360 54.359 54.840 -0.201 0.000 0.824 47 L CB 1.088 43.037 42.059 -0.183 0.000 1.221 47 L HN 0.406 nan 8.230 nan 0.000 0.418 48 L N 6.743 127.846 121.223 -0.199 0.000 2.262 48 L HA 0.421 4.761 4.340 -0.001 0.000 0.288 48 L C -0.376 176.354 176.870 -0.234 0.000 1.035 48 L CA -0.229 54.496 54.840 -0.191 0.000 0.820 48 L CB 1.331 43.292 42.059 -0.164 0.000 1.204 48 L HN 0.519 nan 8.230 nan 0.000 0.424 49 I N 3.089 123.526 120.570 -0.223 0.000 2.330 49 I HA 0.307 4.477 4.170 -0.001 0.000 0.289 49 I C 0.858 176.875 176.117 -0.166 0.000 1.001 49 I CA -0.302 60.854 61.300 -0.240 0.000 1.193 49 I CB 1.586 39.436 38.000 -0.251 0.000 1.345 49 I HN 0.538 nan 8.210 nan 0.000 0.461 50 G N 5.248 113.941 108.800 -0.178 0.000 2.475 50 G HA2 0.093 4.053 3.960 -0.001 0.000 0.322 50 G HA3 0.093 4.053 3.960 -0.001 0.000 0.322 50 G C -0.023 174.789 174.900 -0.146 0.000 1.044 50 G CA -0.363 44.642 45.100 -0.158 0.000 1.047 50 G HN 0.598 nan 8.290 nan 0.000 0.436 51 D N 2.332 122.672 120.400 -0.100 0.000 2.479 51 D HA 0.191 4.831 4.640 -0.001 0.000 0.257 51 D C 1.552 177.769 176.300 -0.139 0.000 1.230 51 D CA 1.666 55.613 54.000 -0.088 0.000 0.912 51 D CB 0.360 41.171 40.800 0.018 0.000 1.130 51 D HN 0.813 nan 8.370 nan 0.000 0.515 52 G N 4.251 112.843 108.800 -0.347 0.000 2.148 52 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.254 52 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.254 52 G C 0.679 175.500 174.900 -0.131 0.000 0.981 52 G CA 0.358 45.278 45.100 -0.300 0.000 0.670 52 G HN 0.580 nan 8.290 nan 0.000 0.528 53 M N 1.993 121.501 119.600 -0.153 0.000 3.213 53 M HA 0.452 4.931 4.480 -0.001 0.000 0.275 53 M C 0.990 177.237 176.300 -0.088 0.000 1.424 53 M CA 0.482 55.714 55.300 -0.114 0.000 1.561 53 M CB -0.680 31.836 32.600 -0.140 0.000 1.109 53 M HN 0.261 nan 8.290 nan 0.000 0.552 54 G N 1.764 110.540 108.800 -0.041 0.000 2.543 54 G HA2 0.167 4.127 3.960 -0.001 0.000 0.290 54 G HA3 0.167 4.127 3.960 -0.001 0.000 0.290 54 G C -0.033 174.873 174.900 0.009 0.000 1.310 54 G CA -0.460 44.641 45.100 0.002 0.000 1.025 54 G HN 0.670 nan 8.290 nan 0.000 0.502 55 D N -0.730 119.688 120.400 0.030 0.000 2.190 55 D HA -0.142 4.497 4.640 -0.001 0.000 0.200 55 D C 2.424 178.744 176.300 0.034 0.000 0.992 55 D CA 1.671 55.690 54.000 0.032 0.000 0.854 55 D CB 0.122 40.946 40.800 0.041 0.000 0.936 55 D HN 0.261 nan 8.370 nan 0.000 0.462 56 S N -0.315 115.404 115.700 0.032 0.000 2.387 56 S HA -0.146 4.323 4.470 -0.001 0.000 0.226 56 S C 1.706 176.316 174.600 0.017 0.000 1.026 56 S CA 0.879 59.093 58.200 0.022 0.000 0.972 56 S CB -0.043 63.166 63.200 0.014 0.000 0.814 56 S HN 0.038 nan 8.310 nan 0.000 0.477 57 E N 1.016 121.222 120.200 0.010 0.000 2.152 57 E HA 0.100 4.450 4.350 -0.001 0.000 0.192 57 E C 1.809 178.422 176.600 0.023 0.000 0.983 57 E CA 0.817 57.215 56.400 -0.003 0.000 0.818 57 E CB -0.179 29.502 29.700 -0.032 0.000 0.758 57 E HN 0.588 nan 8.360 nan 0.000 0.467 58 I N 0.216 120.808 120.570 0.037 0.000 2.193 58 I HA -0.221 3.949 4.170 -0.001 0.000 0.240 58 I C 1.951 178.167 176.117 0.165 0.000 1.084 58 I CA 1.292 62.651 61.300 0.098 0.000 1.365 58 I CB -0.487 37.551 38.000 0.063 0.000 1.064 58 I HN 0.111 nan 8.210 nan 0.000 0.410 59 T N 1.179 115.790 114.554 0.096 0.000 2.652 59 T HA -0.206 4.143 4.350 -0.001 0.000 0.267 59 T C 2.107 176.855 174.700 0.080 0.000 1.039 59 T CA 1.511 63.656 62.100 0.075 0.000 1.153 59 T CB -0.555 68.341 68.868 0.047 0.000 0.863 59 T HN 0.452 nan 8.240 nan 0.000 0.428 60 A N 1.577 124.441 122.820 0.074 0.000 1.948 60 A HA 0.047 4.366 4.320 -0.001 0.000 0.220 60 A C 2.636 180.304 177.584 0.140 0.000 1.177 60 A CA 2.087 54.175 52.037 0.084 0.000 0.636 60 A CB -1.127 17.902 19.000 0.049 0.000 0.815 60 A HN 0.566 nan 8.150 nan 0.000 0.449 61 A N -0.773 122.147 122.820 0.167 0.000 1.898 61 A HA -0.062 4.257 4.320 -0.001 0.000 0.214 61 A C 2.257 180.004 177.584 0.272 0.000 1.183 61 A CA 1.419 53.612 52.037 0.260 0.000 0.622 61 A CB -0.466 18.696 19.000 0.271 0.000 0.824 61 A HN 0.520 nan 8.150 nan 0.000 0.444 62 R N -0.247 120.314 120.500 0.103 0.000 2.096 62 R HA -0.161 4.178 4.340 -0.001 0.000 0.235 62 R C 1.703 177.910 176.300 -0.156 0.000 1.127 62 R CA 1.701 57.553 56.100 -0.415 0.000 0.968 62 R CB -0.310 29.738 30.300 -0.421 0.000 0.861 62 R HN 0.489 nan 8.270 nan 0.000 0.440 63 N N 0.017 118.714 118.700 -0.005 0.000 2.058 63 N HA -0.212 4.528 4.740 -0.001 0.000 0.191 63 N C 1.465 177.010 175.510 0.060 0.000 1.037 63 N CA 1.471 54.535 53.050 0.024 0.000 0.848 63 N CB -0.665 37.856 38.487 0.058 0.000 1.021 63 N HN 0.291 nan 8.380 nan 0.000 0.422 64 Y N 0.920 121.241 120.300 0.035 0.000 2.163 64 Y HA 0.007 4.556 4.550 -0.001 0.000 0.288 64 Y C 2.152 178.104 175.900 0.087 0.000 1.136 64 Y CA 1.724 59.869 58.100 0.076 0.000 1.147 64 Y CB -0.465 38.078 38.460 0.138 0.000 0.987 64 Y HN 0.070 nan 8.280 nan 0.000 0.509 65 A N 0.069 123.065 122.820 0.293 0.000 1.843 65 A HA -0.043 4.276 4.320 -0.001 0.000 0.213 65 A C 1.837 179.424 177.584 0.005 0.000 1.202 65 A CA 1.594 53.766 52.037 0.226 0.000 0.607 65 A CB -0.384 18.850 19.000 0.390 0.000 0.847 65 A HN 0.470 nan 8.150 nan 0.000 0.445 66 E N -0.615 119.527 120.200 -0.096 0.000 2.481 66 E HA 0.336 4.685 4.350 -0.001 0.000 0.198 66 E C 0.746 177.281 176.600 -0.108 0.000 1.027 66 E CA 0.593 56.916 56.400 -0.127 0.000 0.900 66 E CB 0.026 29.585 29.700 -0.236 0.000 0.993 66 E HN 0.774 nan 8.360 nan 0.000 0.482 67 G N 1.042 109.781 108.800 -0.101 0.000 2.705 67 G HA2 -0.169 3.791 3.960 -0.001 0.000 0.686 67 G HA3 -0.169 3.791 3.960 -0.001 0.000 0.686 67 G C 0.814 175.675 174.900 -0.066 0.000 1.285 67 G CA -0.211 44.843 45.100 -0.076 0.000 0.800 67 G HN 0.211 nan 8.290 nan 0.000 0.611 68 A N 0.478 123.274 122.820 -0.041 0.000 1.908 68 A HA 0.227 4.546 4.320 -0.001 0.000 0.218 68 A C 2.686 180.256 177.584 -0.023 0.000 1.181 68 A CA 2.645 54.665 52.037 -0.027 0.000 0.627 68 A CB -0.625 18.367 19.000 -0.013 0.000 0.818 68 A HN 2.418 nan 8.150 nan 0.000 0.445 69 G N -0.798 107.988 108.800 -0.022 0.000 3.088 69 G HA2 0.400 4.359 3.960 -0.001 0.000 0.212 69 G HA3 0.400 4.359 3.960 -0.001 0.000 0.212 69 G C 0.735 175.631 174.900 -0.006 0.000 1.173 69 G CA 0.565 45.657 45.100 -0.012 0.000 0.779 69 G HN 0.740 nan 8.290 nan 0.000 0.540 70 G N -0.413 108.372 108.800 -0.026 0.000 2.611 70 G HA2 0.447 4.407 3.960 -0.001 0.000 0.273 70 G HA3 0.447 4.407 3.960 -0.001 0.000 0.273 70 G C -1.036 173.897 174.900 0.054 0.000 1.305 70 G CA -0.616 44.472 45.100 -0.020 0.000 1.010 70 G HN 0.351 nan 8.290 nan 0.000 0.509 71 F N -1.141 118.713 119.950 -0.161 0.000 2.605 71 F HA 0.556 5.083 4.527 -0.001 0.000 0.320 71 F C -1.693 174.053 175.800 -0.090 0.000 1.159 71 F CA -1.519 56.414 58.000 -0.113 0.000 0.999 71 F CB 1.325 40.299 39.000 -0.042 0.000 1.258 71 F HN 0.286 nan 8.300 nan 0.000 0.464 72 F N 6.263 125.860 119.950 -0.588 0.000 2.471 72 F HA 0.348 4.874 4.527 -0.001 0.000 0.365 72 F C 1.439 176.661 175.800 -0.964 0.000 1.095 72 F CA -0.255 57.419 58.000 -0.542 0.000 1.174 72 F CB 1.197 39.989 39.000 -0.347 0.000 1.105 72 F HN 0.558 nan 8.300 nan 0.000 0.535 73 K N 2.111 122.321 120.400 -0.317 0.000 2.280 73 K HA -0.083 4.237 4.320 -0.001 0.000 0.202 73 K C 1.803 178.300 176.600 -0.173 0.000 1.047 73 K CA 1.093 57.258 56.287 -0.203 0.000 0.942 73 K CB 0.008 32.534 32.500 0.043 0.000 0.739 73 K HN 0.866 nan 8.250 nan 0.000 0.457 74 G N 1.208 109.905 108.800 -0.171 0.000 2.728 74 G HA2 -0.026 3.933 3.960 -0.001 0.000 0.223 74 G HA3 -0.026 3.933 3.960 -0.001 0.000 0.223 74 G C 1.423 176.210 174.900 -0.189 0.000 1.379 74 G CA -0.212 44.793 45.100 -0.158 0.000 0.870 74 G HN 0.003 nan 8.290 nan 0.000 0.591 75 I N 1.643 122.071 120.570 -0.237 0.000 2.113 75 I HA -0.255 3.914 4.170 -0.001 0.000 0.242 75 I C 2.038 178.072 176.117 -0.138 0.000 1.057 75 I CA 1.764 62.932 61.300 -0.221 0.000 1.314 75 I CB -0.172 37.611 38.000 -0.362 0.000 1.022 75 I HN 0.126 nan 8.210 nan 0.000 0.408 76 D N 0.592 120.892 120.400 -0.168 0.000 2.317 76 D HA -0.002 4.638 4.640 -0.001 0.000 0.211 76 D C 2.027 178.297 176.300 -0.050 0.000 0.966 76 D CA 1.093 55.003 54.000 -0.150 0.000 0.876 76 D CB 0.069 40.697 40.800 -0.286 0.000 0.927 76 D HN 0.395 nan 8.370 nan 0.000 0.519 77 A N 0.280 123.027 122.820 -0.121 0.000 2.206 77 A HA 0.032 4.351 4.320 -0.001 0.000 0.211 77 A C 0.888 178.508 177.584 0.061 0.000 1.158 77 A CA 0.013 52.112 52.037 0.102 0.000 0.761 77 A CB -0.233 18.815 19.000 0.079 0.000 0.801 77 A HN 0.083 nan 8.150 nan 0.000 0.473 78 L N 1.570 122.806 121.223 0.023 0.000 2.385 78 L HA 0.173 4.512 4.340 -0.001 0.000 0.281 78 L C -0.897 176.029 176.870 0.093 0.000 1.106 78 L CA -1.199 53.674 54.840 0.055 0.000 0.856 78 L CB 0.302 42.386 42.059 0.041 0.000 1.186 78 L HN 0.133 nan 8.230 nan 0.000 0.453 79 P HA -0.222 nan 4.420 nan 0.000 0.214 79 P C 0.322 177.671 177.300 0.081 0.000 1.169 79 P CA 1.335 64.505 63.100 0.116 0.000 0.908 79 P CB 0.197 31.989 31.700 0.153 0.000 0.791 80 L N 0.499 121.766 121.223 0.075 0.000 2.290 80 L HA 0.291 4.630 4.340 -0.001 0.000 0.284 80 L C 0.882 177.768 176.870 0.027 0.000 1.078 80 L CA -0.046 54.820 54.840 0.042 0.000 0.815 80 L CB 0.991 43.067 42.059 0.029 0.000 1.162 80 L HN 0.081 nan 8.230 nan 0.000 0.435 81 T N -0.194 114.372 114.554 0.021 0.000 2.906 81 T HA 0.948 5.298 4.350 -0.001 0.000 0.295 81 T C -0.239 174.466 174.700 0.008 0.000 1.075 81 T CA -0.520 61.585 62.100 0.007 0.000 1.005 81 T CB 2.263 71.140 68.868 0.015 0.000 1.136 81 T HN 0.775 nan 8.240 nan 0.000 0.498 82 G N 0.241 109.038 108.800 -0.006 0.000 2.548 82 G HA2 0.566 4.525 3.960 -0.001 0.000 0.301 82 G HA3 0.566 4.525 3.960 -0.001 0.000 0.301 82 G C -2.259 172.648 174.900 0.012 0.000 1.349 82 G CA -0.923 44.186 45.100 0.014 0.000 0.792 82 G HN 0.760 nan 8.290 nan 0.000 0.481 83 Q N -0.315 119.521 119.800 0.061 0.000 2.340 83 Q HA 0.614 4.954 4.340 -0.001 0.000 0.268 83 Q C -1.129 175.005 176.000 0.222 0.000 1.031 83 Q CA -0.820 55.048 55.803 0.110 0.000 0.804 83 Q CB 2.393 31.197 28.738 0.109 0.000 1.286 83 Q HN 0.704 nan 8.270 nan 0.000 0.448 84 Y N -1.210 119.144 120.300 0.090 0.000 2.598 84 Y HA 0.861 5.411 4.550 -0.001 0.000 0.340 84 Y C -0.512 175.454 175.900 0.110 0.000 1.038 84 Y CA -1.944 56.217 58.100 0.101 0.000 1.100 84 Y CB 0.474 38.998 38.460 0.106 0.000 1.281 84 Y HN 0.547 nan 8.280 nan 0.000 0.488 85 T N -0.197 114.380 114.554 0.038 0.000 2.867 85 T HA 0.491 4.841 4.350 -0.001 0.000 0.282 85 T C -0.701 173.793 174.700 -0.344 0.000 1.000 85 T CA -0.373 61.646 62.100 -0.135 0.000 1.042 85 T CB 0.711 69.612 68.868 0.056 0.000 0.973 85 T HN 0.974 nan 8.240 nan 0.000 0.465 86 H N -0.379 118.572 119.070 -0.198 0.000 2.665 86 H HA 0.318 4.873 4.556 -0.001 0.000 0.248 86 H C -0.374 174.855 175.328 -0.164 0.000 1.175 86 H CA -1.219 54.661 56.048 -0.281 0.000 0.952 86 H CB -1.288 28.358 29.762 -0.193 0.000 1.883 86 H HN 0.712 nan 8.280 nan 0.000 0.623 87 Y N 0.276 120.558 120.300 -0.030 0.000 2.550 87 Y HA 0.548 5.098 4.550 -0.001 0.000 0.343 87 Y C 0.543 176.444 175.900 0.002 0.000 1.245 87 Y CA -0.724 57.385 58.100 0.014 0.000 1.462 87 Y CB 0.372 38.827 38.460 -0.010 0.000 1.340 87 Y HN 0.318 nan 8.280 nan 0.000 0.604 88 A N 3.569 126.478 122.820 0.148 0.000 2.951 88 A HA 0.825 5.145 4.320 -0.001 0.000 0.239 88 A C -0.898 176.741 177.584 0.091 0.000 1.623 88 A CA -1.024 51.046 52.037 0.055 0.000 0.868 88 A CB 0.457 19.477 19.000 0.034 0.000 1.712 88 A HN 0.811 nan 8.150 nan 0.000 0.558 89 L N 0.246 121.497 121.223 0.046 0.000 2.388 89 L HA 0.351 4.690 4.340 -0.001 0.000 0.264 89 L C -0.277 176.617 176.870 0.039 0.000 0.998 89 L CA -0.885 53.977 54.840 0.037 0.000 0.817 89 L CB 1.862 43.947 42.059 0.042 0.000 1.338 89 L HN 0.781 nan 8.230 nan 0.000 0.414 90 N N 1.920 120.615 118.700 -0.008 0.000 2.530 90 N HA 0.035 4.774 4.740 -0.001 0.000 0.273 90 N C 0.419 175.928 175.510 -0.002 0.000 1.173 90 N CA 0.154 53.198 53.050 -0.011 0.000 0.967 90 N CB 1.749 40.211 38.487 -0.042 0.000 1.109 90 N HN 0.666 nan 8.380 nan 0.000 0.453 91 K N 3.256 123.634 120.400 -0.036 0.000 2.031 91 K HA -0.097 4.223 4.320 -0.001 0.000 0.205 91 K C 1.454 177.993 176.600 -0.101 0.000 1.049 91 K CA 1.130 57.337 56.287 -0.133 0.000 0.939 91 K CB 0.085 32.340 32.500 -0.407 0.000 0.717 91 K HN 0.392 nan 8.250 nan 0.000 0.438 92 K N -0.135 120.216 120.400 -0.082 0.000 2.002 92 K HA -0.083 4.236 4.320 -0.001 0.000 0.209 92 K C 1.787 178.372 176.600 -0.025 0.000 1.048 92 K CA 2.311 58.567 56.287 -0.052 0.000 0.930 92 K CB -0.060 32.412 32.500 -0.046 0.000 0.714 92 K HN 0.365 nan 8.250 nan 0.000 0.438 93 T N -2.948 111.592 114.554 -0.023 0.000 3.060 93 T HA 0.216 4.566 4.350 -0.001 0.000 0.249 93 T C 1.210 175.905 174.700 -0.009 0.000 1.079 93 T CA 0.196 62.288 62.100 -0.013 0.000 1.013 93 T CB 0.508 69.365 68.868 -0.018 0.000 0.975 93 T HN 0.319 nan 8.240 nan 0.000 0.518 94 G N 2.196 110.987 108.800 -0.014 0.000 2.203 94 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.263 94 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.263 94 G C 0.041 174.929 174.900 -0.020 0.000 1.012 94 G CA 0.187 45.280 45.100 -0.012 0.000 0.749 94 G HN 0.524 nan 8.290 nan 0.000 0.512 95 K N 0.053 120.429 120.400 -0.040 0.000 2.090 95 K HA 0.410 4.730 4.320 -0.001 0.000 0.249 95 K C -2.515 174.007 176.600 -0.131 0.000 0.995 95 K CA -1.877 54.364 56.287 -0.075 0.000 0.914 95 K CB 1.018 33.473 32.500 -0.074 0.000 1.057 95 K HN -0.027 nan 8.250 nan 0.000 0.462 96 P HA 0.028 nan 4.420 nan 0.000 0.271 96 P C -0.942 176.012 177.300 -0.577 0.000 1.220 96 P CA 0.026 62.893 63.100 -0.388 0.000 0.768 96 P CB 0.451 31.753 31.700 -0.664 0.000 0.848 97 D N 2.316 122.527 120.400 -0.314 0.000 2.412 97 D HA 0.110 4.750 4.640 -0.001 0.000 0.224 97 D C 0.397 176.582 176.300 -0.192 0.000 1.093 97 D CA -0.433 53.422 54.000 -0.243 0.000 0.850 97 D CB 0.421 41.187 40.800 -0.058 0.000 1.046 97 D HN 0.274 nan 8.370 nan 0.000 0.507 98 Y N 1.567 121.908 120.300 0.070 0.000 2.465 98 Y HA -0.051 4.498 4.550 -0.001 0.000 0.289 98 Y C 0.943 176.918 175.900 0.126 0.000 1.150 98 Y CA 0.379 58.530 58.100 0.085 0.000 1.293 98 Y CB 0.080 38.560 38.460 0.034 0.000 0.977 98 Y HN 0.125 nan 8.280 nan 0.000 0.556 99 V N 0.065 120.103 119.914 0.207 0.000 2.357 99 V HA 0.190 4.309 4.120 -0.001 0.000 0.281 99 V C 0.219 176.390 176.094 0.128 0.000 1.015 99 V CA -1.044 61.370 62.300 0.190 0.000 0.827 99 V CB 1.068 32.982 31.823 0.153 0.000 1.018 99 V HN 0.049 nan 8.190 nan 0.000 0.432 100 T N 3.068 117.718 114.554 0.159 0.000 2.813 100 T HA 0.292 4.642 4.350 -0.001 0.000 0.297 100 T C 0.023 174.753 174.700 0.050 0.000 1.036 100 T CA -0.176 61.981 62.100 0.095 0.000 1.044 100 T CB 0.864 69.801 68.868 0.116 0.000 0.993 100 T HN 0.922 nan 8.240 nan 0.000 0.535 101 D N 0.902 121.327 120.400 0.042 0.000 2.595 101 D HA 0.479 5.118 4.640 -0.001 0.000 0.268 101 D C 1.275 177.653 176.300 0.129 0.000 1.181 101 D CA -0.169 53.879 54.000 0.079 0.000 1.085 101 D CB 0.446 41.267 40.800 0.035 0.000 1.186 101 D HN 0.527 nan 8.370 nan 0.000 0.621 102 A N -0.236 122.696 122.820 0.187 0.000 1.930 102 A HA 0.154 4.474 4.320 -0.001 0.000 0.217 102 A C 2.136 179.739 177.584 0.030 0.000 1.175 102 A CA 2.348 54.493 52.037 0.179 0.000 0.627 102 A CB -1.195 17.921 19.000 0.194 0.000 0.815 102 A HN 0.648 nan 8.150 nan 0.000 0.443 103 A N 0.168 122.977 122.820 -0.019 0.000 1.835 103 A HA 0.152 4.471 4.320 -0.001 0.000 0.215 103 A C 2.568 180.033 177.584 -0.199 0.000 1.199 103 A CA 2.323 54.291 52.037 -0.115 0.000 0.615 103 A CB -1.322 17.614 19.000 -0.106 0.000 0.838 103 A HN 1.086 nan 8.150 nan 0.000 0.444 104 A N 0.281 122.994 122.820 -0.178 0.000 1.865 104 A HA -0.163 4.157 4.320 -0.001 0.000 0.217 104 A C 2.525 179.969 177.584 -0.233 0.000 1.191 104 A CA 2.941 54.847 52.037 -0.218 0.000 0.623 104 A CB -1.287 17.619 19.000 -0.156 0.000 0.826 104 A HN 0.982 nan 8.150 nan 0.000 0.444 105 S N 0.756 116.363 115.700 -0.155 0.000 2.359 105 S HA -0.162 4.307 4.470 -0.001 0.000 0.222 105 S C 2.196 176.492 174.600 -0.507 0.000 1.038 105 S CA 1.847 59.963 58.200 -0.141 0.000 1.051 105 S CB -1.204 62.044 63.200 0.081 0.000 0.944 105 S HN 1.128 nan 8.310 nan 0.000 0.433 106 A N 2.127 124.468 122.820 -0.798 0.000 1.884 106 A HA -0.171 4.148 4.320 -0.001 0.000 0.219 106 A C 2.474 179.286 177.584 -1.287 0.000 1.197 106 A CA 2.578 53.628 52.037 -1.645 0.000 0.637 106 A CB -1.947 16.598 19.000 -0.758 0.000 0.827 106 A HN 0.597 nan 8.150 nan 0.000 0.450 107 T N 0.187 114.329 114.554 -0.687 0.000 2.759 107 T HA -0.034 4.316 4.350 -0.001 0.000 0.269 107 T C 2.145 176.570 174.700 -0.459 0.000 1.042 107 T CA 1.652 63.452 62.100 -0.500 0.000 1.140 107 T CB -0.486 68.160 68.868 -0.370 0.000 0.864 107 T HN 0.662 nan 8.240 nan 0.000 0.455 108 A N 1.579 124.155 122.820 -0.407 0.000 1.858 108 A HA -0.088 4.231 4.320 -0.001 0.000 0.216 108 A C 2.156 179.661 177.584 -0.132 0.000 1.190 108 A CA 1.783 53.669 52.037 -0.250 0.000 0.617 108 A CB -1.153 17.742 19.000 -0.174 0.000 0.827 108 A HN 0.848 nan 8.150 nan 0.000 0.443 109 W N 1.308 122.609 121.300 0.001 0.000 2.519 109 W HA 0.003 4.662 4.660 -0.001 0.000 0.266 109 W C 1.838 178.451 176.519 0.157 0.000 1.253 109 W CA 1.375 58.787 57.345 0.112 0.000 1.274 109 W CB -0.951 28.599 29.460 0.151 0.000 1.114 109 W HN 0.355 nan 8.180 nan 0.000 0.596 110 S N -0.550 115.019 115.700 -0.219 0.000 2.486 110 S HA -0.005 4.464 4.470 -0.001 0.000 0.220 110 S C 1.627 176.037 174.600 -0.316 0.000 1.011 110 S CA 1.012 59.171 58.200 -0.069 0.000 0.921 110 S CB -0.858 62.212 63.200 -0.216 0.000 0.785 110 S HN 0.391 nan 8.310 nan 0.000 0.517 111 T N -3.421 110.727 114.554 -0.676 0.000 2.999 111 T HA 0.518 4.867 4.350 -0.001 0.000 0.247 111 T C 1.590 175.275 174.700 -1.691 0.000 1.012 111 T CA 0.840 62.341 62.100 -0.998 0.000 1.048 111 T CB -0.033 68.552 68.868 -0.472 0.000 1.020 111 T HN 1.268 nan 8.240 nan 0.000 0.478 112 G N 0.714 108.875 108.800 -1.065 0.000 2.131 112 G HA2 -0.087 3.873 3.960 -0.001 0.000 0.223 112 G HA3 -0.087 3.873 3.960 -0.001 0.000 0.223 112 G C -0.028 174.793 174.900 -0.132 0.000 0.990 112 G CA 0.046 44.852 45.100 -0.491 0.000 0.671 112 G HN 1.289 nan 8.290 nan 0.000 0.521 113 V N 0.011 119.757 119.914 -0.280 0.000 2.789 113 V HA 0.762 4.882 4.120 -0.001 0.000 0.311 113 V C -0.065 175.897 176.094 -0.220 0.000 1.073 113 V CA -1.266 60.891 62.300 -0.239 0.000 0.921 113 V CB 1.729 33.296 31.823 -0.427 0.000 1.009 113 V HN 0.170 nan 8.190 nan 0.000 0.426 114 K N 2.757 123.060 120.400 -0.162 0.000 2.219 114 K HA 0.506 4.826 4.320 -0.001 0.000 0.258 114 K C -0.093 176.418 176.600 -0.149 0.000 1.008 114 K CA 0.050 56.246 56.287 -0.152 0.000 0.928 114 K CB 1.412 33.855 32.500 -0.095 0.000 0.983 114 K HN 0.915 nan 8.250 nan 0.000 0.484 115 T N 0.007 114.475 114.554 -0.142 0.000 2.700 115 T HA 0.424 4.774 4.350 -0.001 0.000 0.300 115 T C -1.525 173.122 174.700 -0.089 0.000 1.262 115 T CA -0.762 61.255 62.100 -0.138 0.000 1.010 115 T CB 0.373 69.078 68.868 -0.272 0.000 1.463 115 T HN 0.412 nan 8.240 nan 0.000 0.501 116 Y N 0.979 121.238 120.300 -0.069 0.000 2.307 116 Y HA 0.677 5.226 4.550 -0.001 0.000 0.324 116 Y C 0.421 176.294 175.900 -0.044 0.000 1.238 116 Y CA -1.311 56.758 58.100 -0.051 0.000 1.280 116 Y CB 0.039 38.472 38.460 -0.045 0.000 1.248 116 Y HN 0.367 nan 8.280 nan 0.000 0.508 117 N N 1.542 120.270 118.700 0.047 0.000 2.411 117 N HA 0.263 5.002 4.740 -0.001 0.000 0.261 117 N C 1.026 176.542 175.510 0.010 0.000 1.248 117 N CA 1.442 54.491 53.050 -0.002 0.000 0.885 117 N CB 0.798 39.309 38.487 0.040 0.000 1.062 117 N HN 1.105 nan 8.380 nan 0.000 0.471 118 G N -0.109 108.645 108.800 -0.076 0.000 2.213 118 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.226 118 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.226 118 G C 0.154 174.971 174.900 -0.139 0.000 0.992 118 G CA 0.119 45.194 45.100 -0.042 0.000 0.632 118 G HN 0.890 nan 8.290 nan 0.000 0.511 119 A N 0.068 122.639 122.820 -0.415 0.000 2.304 119 A HA 0.834 5.153 4.320 -0.001 0.000 0.301 119 A C -0.071 177.328 177.584 -0.309 0.000 1.132 119 A CA -0.181 51.565 52.037 -0.484 0.000 0.819 119 A CB 0.697 19.048 19.000 -1.082 0.000 1.094 119 A HN 0.894 nan 8.150 nan 0.000 0.492 120 L N 2.095 123.191 121.223 -0.212 0.000 2.401 120 L HA 0.545 4.885 4.340 -0.001 0.000 0.263 120 L C 1.022 177.763 176.870 -0.215 0.000 1.004 120 L CA 0.346 55.061 54.840 -0.208 0.000 0.881 120 L CB 1.301 43.259 42.059 -0.167 0.000 1.219 120 L HN 1.231 nan 8.230 nan 0.000 0.441 121 G N 2.082 110.738 108.800 -0.240 0.000 2.159 121 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.256 121 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.256 121 G C 0.004 174.978 174.900 0.123 0.000 0.977 121 G CA 0.201 45.192 45.100 -0.182 0.000 0.652 121 G HN 0.643 nan 8.290 nan 0.000 0.531 122 V N -1.173 118.763 119.914 0.038 0.000 2.769 122 V HA 0.860 4.980 4.120 -0.001 0.000 0.312 122 V C 0.254 176.394 176.094 0.076 0.000 1.058 122 V CA -0.309 62.062 62.300 0.118 0.000 0.952 122 V CB 1.946 33.828 31.823 0.099 0.000 1.019 122 V HN 0.414 nan 8.190 nan 0.000 0.445 123 D N 3.044 123.556 120.400 0.187 0.000 2.478 123 D HA 0.210 4.849 4.640 -0.001 0.000 0.274 123 D C 1.330 177.679 176.300 0.081 0.000 1.234 123 D CA -0.150 53.874 54.000 0.039 0.000 1.069 123 D CB 0.553 41.368 40.800 0.024 0.000 1.113 123 D HN 0.761 nan 8.370 nan 0.000 0.571 124 I N -3.044 117.524 120.570 -0.004 0.000 2.916 124 I HA -0.122 4.047 4.170 -0.001 0.000 0.267 124 I C 0.864 177.001 176.117 0.033 0.000 1.263 124 I CA 0.892 62.253 61.300 0.102 0.000 1.471 124 I CB -0.568 37.416 38.000 -0.027 0.000 1.089 124 I HN 0.195 nan 8.210 nan 0.000 0.468 125 H N 1.919 121.067 119.070 0.131 0.000 2.539 125 H HA 0.206 4.761 4.556 -0.001 0.000 0.267 125 H C 0.464 175.843 175.328 0.085 0.000 0.982 125 H CA 0.194 56.291 56.048 0.081 0.000 1.146 125 H CB -0.151 29.653 29.762 0.069 0.000 1.382 125 H HN 0.534 nan 8.280 nan 0.000 0.577 126 E N -0.128 120.206 120.200 0.224 0.000 3.628 126 E HA -0.158 4.192 4.350 -0.001 0.000 0.309 126 E C -0.288 176.386 176.600 0.123 0.000 0.839 126 E CA 0.360 56.869 56.400 0.182 0.000 1.123 126 E CB -0.650 29.133 29.700 0.138 0.000 1.568 126 E HN 0.305 nan 8.360 nan 0.000 0.440 127 K N 1.754 122.236 120.400 0.137 0.000 2.270 127 K HA 0.227 4.547 4.320 -0.001 0.000 0.276 127 K C 0.016 176.575 176.600 -0.067 0.000 1.023 127 K CA -0.255 56.044 56.287 0.019 0.000 0.955 127 K CB 0.591 33.099 32.500 0.012 0.000 0.975 127 K HN -0.024 nan 8.250 nan 0.000 0.471 128 D N 1.531 121.813 120.400 -0.197 0.000 2.339 128 D HA 0.177 4.817 4.640 -0.001 0.000 0.245 128 D C -0.146 175.853 176.300 -0.501 0.000 1.115 128 D CA 0.400 54.268 54.000 -0.220 0.000 0.917 128 D CB 0.522 41.125 40.800 -0.328 0.000 1.192 128 D HN 0.272 nan 8.370 nan 0.000 0.428 129 H N 0.753 119.828 119.070 0.007 0.000 2.856 129 H HA 0.265 4.820 4.556 -0.001 0.000 0.355 129 H C -2.349 173.003 175.328 0.040 0.000 1.079 129 H CA -1.453 54.581 56.048 -0.022 0.000 1.240 129 H CB 2.073 31.788 29.762 -0.078 0.000 1.701 129 H HN 0.243 nan 8.280 nan 0.000 0.527 130 P HA -0.048 nan 4.420 nan 0.000 0.266 130 P C 0.339 177.657 177.300 0.030 0.000 1.195 130 P CA -0.007 63.143 63.100 0.084 0.000 0.768 130 P CB 0.827 32.553 31.700 0.043 0.000 0.838 131 T N -0.332 114.240 114.554 0.029 0.000 2.902 131 T HA 0.186 4.535 4.350 -0.001 0.000 0.280 131 T C 1.281 175.976 174.700 -0.008 0.000 0.992 131 T CA -0.687 61.383 62.100 -0.049 0.000 1.015 131 T CB 0.584 69.396 68.868 -0.093 0.000 1.044 131 T HN 0.174 nan 8.240 nan 0.000 0.520 132 I N 1.376 121.954 120.570 0.013 0.000 2.335 132 I HA -0.039 4.130 4.170 -0.001 0.000 0.251 132 I C 2.057 177.966 176.117 -0.346 0.000 1.129 132 I CA 1.144 62.397 61.300 -0.079 0.000 1.402 132 I CB -0.540 37.372 38.000 -0.146 0.000 1.069 132 I HN 0.794 nan 8.210 nan 0.000 0.424 133 L N -0.116 120.871 121.223 -0.392 0.000 2.005 133 L HA -0.219 4.121 4.340 -0.001 0.000 0.207 133 L C 2.398 179.199 176.870 -0.115 0.000 1.072 133 L CA 1.604 56.246 54.840 -0.329 0.000 0.744 133 L CB -0.485 41.492 42.059 -0.136 0.000 0.895 133 L HN 0.236 nan 8.230 nan 0.000 0.433 134 E N -0.221 119.947 120.200 -0.053 0.000 2.070 134 E HA -0.300 4.049 4.350 -0.001 0.000 0.197 134 E C 2.191 178.789 176.600 -0.002 0.000 1.004 134 E CA 2.081 58.482 56.400 0.001 0.000 0.805 134 E CB -0.224 29.499 29.700 0.038 0.000 0.744 134 E HN 0.572 nan 8.360 nan 0.000 0.451 135 M N 0.211 119.803 119.600 -0.013 0.000 2.159 135 M HA -0.140 4.340 4.480 -0.001 0.000 0.263 135 M C 2.500 178.790 176.300 -0.016 0.000 1.063 135 M CA 1.367 56.665 55.300 -0.004 0.000 1.110 135 M CB -0.242 32.362 32.600 0.007 0.000 1.374 135 M HN 0.125 nan 8.290 nan 0.000 0.411 136 A N 0.694 123.487 122.820 -0.045 0.000 1.902 136 A HA -0.200 4.120 4.320 -0.001 0.000 0.217 136 A C 2.162 179.762 177.584 0.027 0.000 1.181 136 A CA 2.021 54.050 52.037 -0.014 0.000 0.623 136 A CB -0.627 18.356 19.000 -0.028 0.000 0.818 136 A HN 0.447 nan 8.150 nan 0.000 0.443 137 K N -0.255 120.162 120.400 0.028 0.000 2.032 137 K HA -0.104 4.216 4.320 -0.001 0.000 0.209 137 K C 2.143 178.763 176.600 0.034 0.000 1.048 137 K CA 1.414 57.727 56.287 0.043 0.000 0.927 137 K CB -0.382 32.144 32.500 0.044 0.000 0.712 137 K HN 0.345 nan 8.250 nan 0.000 0.441 138 A N 1.009 123.844 122.820 0.024 0.000 1.883 138 A HA -0.119 4.200 4.320 -0.001 0.000 0.217 138 A C 2.321 179.918 177.584 0.021 0.000 1.186 138 A CA 1.948 53.998 52.037 0.022 0.000 0.624 138 A CB -1.003 18.008 19.000 0.018 0.000 0.822 138 A HN 0.498 nan 8.150 nan 0.000 0.444 139 A N -1.926 120.906 122.820 0.020 0.000 2.225 139 A HA 0.307 4.626 4.320 -0.001 0.000 0.215 139 A C 1.956 179.556 177.584 0.027 0.000 1.164 139 A CA 1.586 53.634 52.037 0.019 0.000 0.710 139 A CB -1.063 17.945 19.000 0.013 0.000 0.780 139 A HN 2.045 nan 8.150 nan 0.000 0.473 140 G N -2.140 106.681 108.800 0.034 0.000 2.159 140 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.227 140 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.227 140 G C 0.023 174.956 174.900 0.056 0.000 0.986 140 G CA 0.137 45.261 45.100 0.040 0.000 0.651 140 G HN 0.480 nan 8.290 nan 0.000 0.523 141 L N 0.672 121.935 121.223 0.067 0.000 2.399 141 L HA 0.739 5.078 4.340 -0.001 0.000 0.266 141 L C 1.127 178.077 176.870 0.133 0.000 1.114 141 L CA -0.490 54.411 54.840 0.101 0.000 0.804 141 L CB 1.277 43.400 42.059 0.107 0.000 1.146 141 L HN 0.271 nan 8.230 nan 0.000 0.451 142 A N 1.421 124.348 122.820 0.179 0.000 2.425 142 A HA 0.537 4.857 4.320 -0.001 0.000 0.249 142 A C 0.224 177.953 177.584 0.243 0.000 1.084 142 A CA -0.190 51.957 52.037 0.184 0.000 0.781 142 A CB 0.158 19.274 19.000 0.194 0.000 1.019 142 A HN 0.767 nan 8.150 nan 0.000 0.490 143 T N -0.503 114.165 114.554 0.190 0.000 2.887 143 T HA 0.808 5.158 4.350 -0.001 0.000 0.288 143 T C -0.129 174.666 174.700 0.158 0.000 1.021 143 T CA -0.122 62.127 62.100 0.249 0.000 1.000 143 T CB 1.992 70.992 68.868 0.220 0.000 1.034 143 T HN 1.591 nan 8.240 nan 0.000 0.467 144 G N 0.574 109.478 108.800 0.172 0.000 2.733 144 G HA2 0.558 4.518 3.960 -0.001 0.000 0.297 144 G HA3 0.558 4.518 3.960 -0.001 0.000 0.297 144 G C -1.889 173.059 174.900 0.081 0.000 1.422 144 G CA -0.958 44.174 45.100 0.053 0.000 0.942 144 G HN 0.900 nan 8.290 nan 0.000 0.510 145 N N 0.301 119.036 118.700 0.059 0.000 2.549 145 N HA 0.519 5.259 4.740 -0.001 0.000 0.290 145 N C -1.433 174.096 175.510 0.033 0.000 1.122 145 N CA -0.357 52.739 53.050 0.077 0.000 0.885 145 N CB 2.143 40.705 38.487 0.125 0.000 1.455 145 N HN 0.376 nan 8.380 nan 0.000 0.521 146 V N 1.719 121.640 119.914 0.011 0.000 2.604 146 V HA 0.862 4.981 4.120 -0.001 0.000 0.305 146 V C -0.351 175.750 176.094 0.012 0.000 1.043 146 V CA -0.616 61.688 62.300 0.006 0.000 0.888 146 V CB 1.475 33.279 31.823 -0.031 0.000 0.995 146 V HN 0.745 nan 8.190 nan 0.000 0.429 147 S N 1.635 117.351 115.700 0.026 0.000 2.552 147 S HA 0.394 4.864 4.470 -0.001 0.000 0.272 147 S C 0.525 175.145 174.600 0.034 0.000 1.150 147 S CA 0.212 58.426 58.200 0.025 0.000 0.849 147 S CB 2.107 65.330 63.200 0.038 0.000 1.113 147 S HN 0.999 nan 8.310 nan 0.000 0.458 148 T N 0.742 115.307 114.554 0.018 0.000 3.081 148 T HA 0.522 4.871 4.350 -0.001 0.000 0.250 148 T C 0.847 175.570 174.700 0.039 0.000 1.100 148 T CA 0.482 62.593 62.100 0.019 0.000 1.038 148 T CB -0.073 68.786 68.868 -0.015 0.000 0.962 148 T HN 0.896 nan 8.240 nan 0.000 0.516 149 A N 2.243 125.090 122.820 0.045 0.000 2.257 149 A HA 0.519 4.838 4.320 -0.001 0.000 0.289 149 A C 0.338 177.957 177.584 0.059 0.000 1.095 149 A CA -0.959 51.113 52.037 0.058 0.000 0.836 149 A CB 0.366 19.405 19.000 0.065 0.000 1.111 149 A HN 0.606 nan 8.150 nan 0.000 0.497 150 E N 0.561 120.803 120.200 0.070 0.000 2.415 150 E HA 0.067 4.417 4.350 -0.001 0.000 0.263 150 E C -0.070 176.530 176.600 0.001 0.000 0.995 150 E CA -0.245 56.190 56.400 0.059 0.000 0.915 150 E CB 0.217 29.983 29.700 0.109 0.000 0.951 150 E HN 0.518 nan 8.360 nan 0.000 0.449 151 L N 2.160 123.382 121.223 -0.002 0.000 2.263 151 L HA -0.270 4.069 4.340 -0.001 0.000 0.216 151 L C 2.254 179.047 176.870 -0.128 0.000 1.111 151 L CA 1.417 56.240 54.840 -0.028 0.000 0.773 151 L CB -0.478 41.590 42.059 0.015 0.000 0.906 151 L HN 0.576 nan 8.230 nan 0.000 0.439 152 Q N -0.668 118.964 119.800 -0.280 0.000 2.172 152 Q HA -0.072 4.267 4.340 -0.001 0.000 0.200 152 Q C 0.706 176.411 176.000 -0.493 0.000 0.964 152 Q CA 0.457 55.887 55.803 -0.621 0.000 0.855 152 Q CB -0.164 27.756 28.738 -1.363 0.000 0.918 152 Q HN 0.307 nan 8.270 nan 0.000 0.444 153 D N -0.440 119.829 120.400 -0.218 0.000 2.478 153 D HA -0.003 4.637 4.640 -0.001 0.000 0.234 153 D C 0.911 177.206 176.300 -0.008 0.000 1.154 153 D CA 0.637 54.642 54.000 0.008 0.000 0.874 153 D CB 0.719 41.569 40.800 0.083 0.000 1.198 153 D HN 0.182 nan 8.370 nan 0.000 0.455 154 A N 3.167 126.007 122.820 0.033 0.000 1.893 154 A HA -0.338 3.982 4.320 -0.001 0.000 0.222 154 A C 2.211 179.791 177.584 -0.006 0.000 1.309 154 A CA 3.024 55.061 52.037 -0.000 0.000 0.681 154 A CB -1.431 17.580 19.000 0.018 0.000 0.842 154 A HN 0.749 nan 8.150 nan 0.000 0.468 155 T N 0.441 115.032 114.554 0.062 0.000 2.620 155 T HA -0.145 4.204 4.350 -0.001 0.000 0.267 155 T C -0.099 174.670 174.700 0.114 0.000 1.044 155 T CA 2.171 64.349 62.100 0.131 0.000 1.161 155 T CB -1.232 67.760 68.868 0.208 0.000 0.862 155 T HN 0.642 nan 8.240 nan 0.000 0.438 156 P HA 0.229 nan 4.420 nan 0.000 0.222 156 P C 1.373 178.677 177.300 0.006 0.000 1.157 156 P CA 1.008 64.144 63.100 0.060 0.000 0.816 156 P CB -0.095 31.629 31.700 0.041 0.000 0.813 157 A N 1.060 123.852 122.820 -0.047 0.000 1.969 157 A HA 0.013 4.332 4.320 -0.001 0.000 0.218 157 A C 2.450 179.960 177.584 -0.124 0.000 1.169 157 A CA 1.708 53.688 52.037 -0.097 0.000 0.635 157 A CB -1.534 17.385 19.000 -0.136 0.000 0.810 157 A HN 0.195 nan 8.150 nan 0.000 0.445 158 A N -0.549 122.193 122.820 -0.131 0.000 2.084 158 A HA -0.049 4.271 4.320 -0.001 0.000 0.221 158 A C 1.717 179.172 177.584 -0.215 0.000 1.161 158 A CA 1.651 53.560 52.037 -0.213 0.000 0.653 158 A CB -0.464 18.370 19.000 -0.278 0.000 0.802 158 A HN 0.441 nan 8.150 nan 0.000 0.457 159 L N -1.107 120.052 121.223 -0.107 0.000 2.591 159 L HA 0.063 4.402 4.340 -0.001 0.000 0.228 159 L C 1.530 178.349 176.870 -0.084 0.000 1.133 159 L CA 1.020 55.819 54.840 -0.069 0.000 0.880 159 L CB 0.465 42.562 42.059 0.064 0.000 1.033 159 L HN 0.401 nan 8.230 nan 0.000 0.450 160 V N -6.018 113.823 119.914 -0.121 0.000 3.356 160 V HA 0.619 4.738 4.120 -0.001 0.000 0.274 160 V C 0.587 176.625 176.094 -0.093 0.000 1.631 160 V CA 0.028 62.286 62.300 -0.070 0.000 1.025 160 V CB -0.181 31.633 31.823 -0.016 0.000 0.840 160 V HN 0.011 nan 8.190 nan 0.000 0.419 161 A N 0.452 123.147 122.820 -0.208 0.000 2.320 161 A HA 0.854 5.173 4.320 -0.001 0.000 0.334 161 A C -0.694 176.679 177.584 -0.352 0.000 1.147 161 A CA -0.435 51.504 52.037 -0.164 0.000 0.820 161 A CB 0.674 19.600 19.000 -0.124 0.000 1.218 161 A HN 0.573 nan 8.150 nan 0.000 0.482 162 H N 1.444 120.486 119.070 -0.047 0.000 2.953 162 H HA 0.464 5.020 4.556 -0.001 0.000 0.290 162 H C -1.111 174.199 175.328 -0.029 0.000 1.113 162 H CA -0.283 55.738 56.048 -0.045 0.000 1.454 162 H CB 1.141 30.879 29.762 -0.040 0.000 1.525 162 H HN 0.630 nan 8.280 nan 0.000 0.505 163 V N -0.142 119.799 119.914 0.045 0.000 2.925 163 V HA 0.304 4.424 4.120 -0.001 0.000 0.311 163 V C 1.353 177.472 176.094 0.042 0.000 1.104 163 V CA -0.671 61.653 62.300 0.041 0.000 0.954 163 V CB 1.752 33.588 31.823 0.021 0.000 1.022 163 V HN 0.693 nan 8.190 nan 0.000 0.427 164 T N -0.734 113.867 114.554 0.079 0.000 2.788 164 T HA -0.024 4.326 4.350 -0.001 0.000 0.268 164 T C 0.925 175.717 174.700 0.153 0.000 1.044 164 T CA 1.579 63.767 62.100 0.147 0.000 1.139 164 T CB -0.092 68.857 68.868 0.134 0.000 0.867 164 T HN 1.200 nan 8.240 nan 0.000 0.454 165 S N 0.254 116.008 115.700 0.089 0.000 2.568 165 S HA 0.487 4.956 4.470 -0.001 0.000 0.293 165 S C 0.894 175.522 174.600 0.048 0.000 1.089 165 S CA -1.097 57.148 58.200 0.075 0.000 0.945 165 S CB 1.671 64.912 63.200 0.067 0.000 1.077 165 S HN 0.530 nan 8.310 nan 0.000 0.485 166 R N 1.794 122.322 120.500 0.046 0.000 2.275 166 R HA 0.210 4.550 4.340 -0.001 0.000 0.199 166 R C 0.876 177.277 176.300 0.169 0.000 0.989 166 R CA 0.418 56.561 56.100 0.071 0.000 1.016 166 R CB -0.297 30.035 30.300 0.055 0.000 0.918 166 R HN 0.467 nan 8.270 nan 0.000 0.473 167 K N 0.569 121.032 120.400 0.106 0.000 2.525 167 K HA 0.104 4.423 4.320 -0.001 0.000 0.192 167 K C 0.013 176.688 176.600 0.126 0.000 1.029 167 K CA 0.095 56.418 56.287 0.061 0.000 1.029 167 K CB 0.309 32.791 32.500 -0.029 0.000 0.814 167 K HN 0.113 nan 8.250 nan 0.000 0.503 168 c N 2.395 121.094 118.600 0.166 0.000 3.089 168 c HA 0.183 4.752 4.570 -0.001 0.000 0.548 168 c C 1.257 175.449 174.090 0.170 0.000 1.205 168 c CA -1.028 55.379 56.329 0.130 0.000 1.398 168 c CB -2.201 40.348 42.510 0.065 0.000 1.764 168 c HN 0.367 nan 8.230 nan 0.000 0.638 169 Y N 1.951 122.218 120.300 -0.056 0.000 1.993 169 Y HA 0.010 4.560 4.550 -0.001 0.000 0.237 169 Y C 1.966 177.796 175.900 -0.117 0.000 1.071 169 Y CA 2.089 60.141 58.100 -0.081 0.000 1.046 169 Y CB -1.019 37.398 38.460 -0.071 0.000 0.949 169 Y HN 0.470 nan 8.280 nan 0.000 0.497 170 G N -2.722 106.117 108.800 0.066 0.000 3.107 170 G HA2 0.376 4.335 3.960 -0.001 0.000 0.232 170 G HA3 0.376 4.335 3.960 -0.001 0.000 0.232 170 G C -2.053 172.837 174.900 -0.017 0.000 1.339 170 G CA -0.912 44.154 45.100 -0.056 0.000 1.033 170 G HN 0.008 nan 8.290 nan 0.000 0.567 171 P HA -0.282 nan 4.420 nan 0.000 0.209 171 P C 2.461 179.760 177.300 -0.001 0.000 1.080 171 P CA 3.292 66.386 63.100 -0.011 0.000 0.971 171 P CB -0.153 31.540 31.700 -0.012 0.000 0.768 172 S N -0.302 115.397 115.700 -0.002 0.000 2.377 172 S HA -0.302 4.167 4.470 -0.001 0.000 0.224 172 S C 2.149 176.747 174.600 -0.003 0.000 1.042 172 S CA 1.943 60.142 58.200 -0.002 0.000 1.086 172 S CB -1.867 61.330 63.200 -0.006 0.000 0.995 172 S HN 0.268 nan 8.310 nan 0.000 0.428 173 A N 1.708 124.526 122.820 -0.003 0.000 1.972 173 A HA -0.049 4.270 4.320 -0.001 0.000 0.219 173 A C 2.421 180.008 177.584 0.006 0.000 1.169 173 A CA 2.100 54.133 52.037 -0.008 0.000 0.635 173 A CB -1.647 17.341 19.000 -0.020 0.000 0.810 173 A HN 0.625 nan 8.150 nan 0.000 0.446 174 T N 0.074 114.638 114.554 0.016 0.000 2.788 174 T HA -0.106 4.243 4.350 -0.001 0.000 0.268 174 T C 2.194 176.902 174.700 0.012 0.000 1.044 174 T CA 1.637 63.748 62.100 0.019 0.000 1.139 174 T CB -0.310 68.569 68.868 0.017 0.000 0.867 174 T HN 0.496 nan 8.240 nan 0.000 0.454 175 S N 1.739 117.443 115.700 0.008 0.000 2.382 175 S HA -0.120 4.350 4.470 -0.001 0.000 0.228 175 S C 1.601 176.203 174.600 0.004 0.000 1.027 175 S CA 1.188 59.392 58.200 0.006 0.000 0.991 175 S CB -0.256 62.946 63.200 0.004 0.000 0.823 175 S HN 0.844 nan 8.310 nan 0.000 0.469 176 E N -0.066 120.135 120.200 0.001 0.000 2.499 176 E HA 0.385 4.735 4.350 -0.001 0.000 0.207 176 E C 0.629 177.228 176.600 -0.001 0.000 1.034 176 E CA -0.154 56.245 56.400 -0.002 0.000 1.098 176 E CB 0.313 30.009 29.700 -0.007 0.000 1.148 176 E HN 0.189 nan 8.360 nan 0.000 0.447 177 K N -0.732 119.672 120.400 0.005 0.000 2.563 177 K HA 0.212 4.532 4.320 -0.001 0.000 0.189 177 K C -0.631 175.981 176.600 0.020 0.000 1.803 177 K CA 0.159 56.451 56.287 0.010 0.000 1.139 177 K CB 1.132 33.636 32.500 0.007 0.000 1.648 177 K HN 0.191 nan 8.250 nan 0.000 0.583 178 c N 1.945 120.558 118.600 0.022 0.000 3.206 178 c HA 0.292 4.862 4.570 -0.001 0.000 0.206 178 c C -2.005 172.098 174.090 0.022 0.000 1.836 178 c CA -1.124 55.223 56.329 0.029 0.000 1.382 178 c CB 0.438 42.970 42.510 0.036 0.000 2.405 178 c HN 0.215 nan 8.230 nan 0.000 0.516 179 P HA -0.168 nan 4.420 nan 0.000 0.217 179 P C 1.797 179.104 177.300 0.012 0.000 1.158 179 P CA 2.233 65.339 63.100 0.011 0.000 0.887 179 P CB 0.109 31.813 31.700 0.007 0.000 0.792 180 G N -1.493 107.316 108.800 0.015 0.000 2.479 180 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.220 180 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.220 180 G C 1.225 176.134 174.900 0.016 0.000 1.115 180 G CA 1.041 46.149 45.100 0.014 0.000 0.757 180 G HN 0.357 nan 8.290 nan 0.000 0.560 181 N N 0.235 118.947 118.700 0.021 0.000 2.432 181 N HA 0.294 5.033 4.740 -0.001 0.000 0.174 181 N C 1.176 176.697 175.510 0.019 0.000 1.037 181 N CA 0.241 53.305 53.050 0.023 0.000 0.892 181 N CB 0.148 38.654 38.487 0.032 0.000 1.049 181 N HN 0.268 nan 8.380 nan 0.000 0.442 182 A N 1.196 124.026 122.820 0.017 0.000 2.580 182 A HA -0.066 4.254 4.320 -0.001 0.000 0.244 182 A C 1.278 178.871 177.584 0.015 0.000 1.045 182 A CA -0.060 51.986 52.037 0.015 0.000 0.761 182 A CB -0.090 18.917 19.000 0.012 0.000 0.962 182 A HN 0.301 nan 8.150 nan 0.000 0.512 183 L N 2.338 123.573 121.223 0.019 0.000 1.951 183 L HA -0.238 4.102 4.340 -0.001 0.000 0.222 183 L C 2.830 179.710 176.870 0.017 0.000 1.078 183 L CA 2.891 57.746 54.840 0.024 0.000 0.778 183 L CB -0.636 41.445 42.059 0.036 0.000 0.893 183 L HN 0.928 nan 8.230 nan 0.000 0.436 184 E N 0.118 120.327 120.200 0.015 0.000 2.219 184 E HA -0.303 4.046 4.350 -0.001 0.000 0.198 184 E C 1.777 178.380 176.600 0.005 0.000 0.998 184 E CA 1.807 58.212 56.400 0.009 0.000 0.818 184 E CB -0.634 29.071 29.700 0.009 0.000 0.741 184 E HN 0.563 nan 8.360 nan 0.000 0.477 185 K N -0.218 120.186 120.400 0.006 0.000 2.458 185 K HA 0.171 4.490 4.320 -0.001 0.000 0.194 185 K C 0.944 177.545 176.600 0.003 0.000 1.024 185 K CA 0.475 56.764 56.287 0.004 0.000 1.108 185 K CB 0.201 32.703 32.500 0.004 0.000 0.846 185 K HN 0.402 nan 8.250 nan 0.000 0.518 186 G N 0.209 109.012 108.800 0.004 0.000 2.213 186 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.236 186 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.236 186 G C 0.487 175.389 174.900 0.004 0.000 0.991 186 G CA -0.279 44.823 45.100 0.002 0.000 0.629 186 G HN 0.510 nan 8.290 nan 0.000 0.517 187 G N -0.393 108.411 108.800 0.007 0.000 2.651 187 G HA2 0.479 4.438 3.960 -0.001 0.000 0.260 187 G HA3 0.479 4.438 3.960 -0.001 0.000 0.260 187 G C 0.869 175.777 174.900 0.015 0.000 1.216 187 G CA 0.469 45.574 45.100 0.009 0.000 0.913 187 G HN 0.338 nan 8.290 nan 0.000 0.535 188 K N -0.386 120.023 120.400 0.014 0.000 2.147 188 K HA 0.213 4.532 4.320 -0.001 0.000 0.205 188 K C 1.353 177.972 176.600 0.032 0.000 1.049 188 K CA 1.227 57.528 56.287 0.023 0.000 0.936 188 K CB -0.157 32.354 32.500 0.019 0.000 0.722 188 K HN 1.012 nan 8.250 nan 0.000 0.446 189 G N -0.076 108.740 108.800 0.027 0.000 2.434 189 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.671 189 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.671 189 G C -0.529 174.376 174.900 0.009 0.000 1.280 189 G CA -0.518 44.594 45.100 0.020 0.000 0.975 189 G HN 0.235 nan 8.290 nan 0.000 0.510 190 S N -0.947 114.749 115.700 -0.007 0.000 2.580 190 S HA 0.381 4.851 4.470 -0.001 0.000 0.261 190 S C 1.795 176.363 174.600 -0.054 0.000 1.366 190 S CA 0.375 58.560 58.200 -0.025 0.000 0.996 190 S CB 0.684 63.858 63.200 -0.043 0.000 0.902 190 S HN 0.962 nan 8.310 nan 0.000 0.566 191 I N 1.052 121.575 120.570 -0.078 0.000 2.226 191 I HA -0.188 3.981 4.170 -0.001 0.000 0.245 191 I C 2.720 178.733 176.117 -0.173 0.000 1.100 191 I CA 1.656 62.882 61.300 -0.123 0.000 1.374 191 I CB -0.953 36.943 38.000 -0.173 0.000 1.057 191 I HN 0.768 nan 8.210 nan 0.000 0.413 192 T N 0.173 114.576 114.554 -0.251 0.000 2.622 192 T HA -0.204 4.145 4.350 -0.001 0.000 0.266 192 T C 1.735 176.278 174.700 -0.262 0.000 1.047 192 T CA 1.561 63.433 62.100 -0.380 0.000 1.159 192 T CB -0.384 68.104 68.868 -0.633 0.000 0.863 192 T HN 0.412 nan 8.240 nan 0.000 0.422 193 E N 1.157 121.243 120.200 -0.189 0.000 2.070 193 E HA -0.207 4.142 4.350 -0.001 0.000 0.197 193 E C 2.517 179.086 176.600 -0.052 0.000 1.004 193 E CA 1.143 57.482 56.400 -0.102 0.000 0.805 193 E CB -0.215 29.460 29.700 -0.042 0.000 0.744 193 E HN 0.556 nan 8.360 nan 0.000 0.451 194 Q N 0.399 120.175 119.800 -0.040 0.000 2.170 194 Q HA -0.148 4.192 4.340 -0.001 0.000 0.203 194 Q C 2.366 178.364 176.000 -0.005 0.000 0.976 194 Q CA 0.763 56.566 55.803 -0.000 0.000 0.858 194 Q CB -0.083 28.663 28.738 0.015 0.000 0.907 194 Q HN 0.318 nan 8.270 nan 0.000 0.433 195 L N 0.325 121.520 121.223 -0.046 0.000 2.005 195 L HA -0.177 4.162 4.340 -0.001 0.000 0.207 195 L C 2.066 178.928 176.870 -0.013 0.000 1.072 195 L CA 1.108 55.927 54.840 -0.034 0.000 0.744 195 L CB -0.159 41.864 42.059 -0.060 0.000 0.895 195 L HN 0.209 nan 8.230 nan 0.000 0.433 196 L N 0.220 121.409 121.223 -0.056 0.000 2.187 196 L HA -0.230 4.110 4.340 -0.001 0.000 0.213 196 L C 2.096 179.025 176.870 0.098 0.000 1.100 196 L CA 0.888 55.701 54.840 -0.045 0.000 0.765 196 L CB -0.724 41.267 42.059 -0.114 0.000 0.904 196 L HN 0.437 nan 8.230 nan 0.000 0.437 197 N N -0.025 118.710 118.700 0.057 0.000 2.333 197 N HA -0.035 4.705 4.740 -0.001 0.000 0.178 197 N C 1.928 177.496 175.510 0.096 0.000 1.018 197 N CA 1.182 54.282 53.050 0.084 0.000 0.882 197 N CB -0.154 38.380 38.487 0.079 0.000 0.984 197 N HN 0.235 nan 8.380 nan 0.000 0.434 198 A N 0.981 123.853 122.820 0.087 0.000 1.940 198 A HA -0.120 4.199 4.320 -0.001 0.000 0.219 198 A C 0.974 178.622 177.584 0.108 0.000 1.176 198 A CA 0.762 52.850 52.037 0.086 0.000 0.631 198 A CB -0.495 18.545 19.000 0.067 0.000 0.814 198 A HN 0.379 nan 8.150 nan 0.000 0.446 199 R N -1.514 119.089 120.500 0.172 0.000 3.059 199 R HA -0.175 4.165 4.340 -0.001 0.000 0.251 199 R C -0.040 176.342 176.300 0.137 0.000 0.886 199 R CA 0.156 56.381 56.100 0.207 0.000 0.634 199 R CB -1.732 28.626 30.300 0.097 0.000 1.282 199 R HN 0.811 nan 8.270 nan 0.000 0.487 200 A N 1.337 124.247 122.820 0.150 0.000 2.316 200 A HA 0.238 4.557 4.320 -0.001 0.000 0.284 200 A C 1.107 178.758 177.584 0.112 0.000 1.115 200 A CA -0.346 51.761 52.037 0.117 0.000 0.812 200 A CB 0.494 19.564 19.000 0.118 0.000 1.064 200 A HN 0.560 nan 8.150 nan 0.000 0.489 201 D N 0.143 120.589 120.400 0.077 0.000 2.133 201 D HA -0.116 4.523 4.640 -0.001 0.000 0.192 201 D C 0.257 176.582 176.300 0.043 0.000 1.001 201 D CA 1.774 55.802 54.000 0.047 0.000 0.844 201 D CB -0.119 40.699 40.800 0.029 0.000 0.944 201 D HN 0.253 nan 8.370 nan 0.000 0.447 202 V N 0.485 120.419 119.914 0.032 0.000 2.531 202 V HA 0.356 4.475 4.120 -0.001 0.000 0.301 202 V C -0.306 175.802 176.094 0.024 0.000 1.034 202 V CA -0.490 61.817 62.300 0.011 0.000 0.865 202 V CB 2.183 33.982 31.823 -0.040 0.000 0.995 202 V HN -0.079 nan 8.190 nan 0.000 0.424 203 T N 6.253 120.815 114.554 0.013 0.000 3.187 203 T HA 0.608 4.957 4.350 -0.001 0.000 0.328 203 T C -0.786 173.897 174.700 -0.029 0.000 0.951 203 T CA -0.289 61.812 62.100 0.000 0.000 1.049 203 T CB 0.619 69.482 68.868 -0.010 0.000 1.015 203 T HN 0.375 nan 8.240 nan 0.000 0.461 204 L N 2.378 123.612 121.223 0.019 0.000 2.362 204 L HA 0.950 5.289 4.340 -0.001 0.000 0.275 204 L C 0.682 177.626 176.870 0.122 0.000 0.998 204 L CA -0.458 54.435 54.840 0.088 0.000 0.820 204 L CB 2.023 44.236 42.059 0.256 0.000 1.270 204 L HN 0.841 nan 8.230 nan 0.000 0.415 205 G N 1.054 109.934 108.800 0.133 0.000 2.474 205 G HA2 0.550 4.509 3.960 -0.001 0.000 0.234 205 G HA3 0.550 4.509 3.960 -0.001 0.000 0.234 205 G C -0.917 174.061 174.900 0.131 0.000 1.204 205 G CA 0.108 45.294 45.100 0.144 0.000 0.939 205 G HN 0.791 nan 8.290 nan 0.000 0.491 206 G N -2.105 106.743 108.800 0.081 0.000 2.990 206 G HA2 0.625 4.585 3.960 -0.001 0.000 0.208 206 G HA3 0.625 4.585 3.960 -0.001 0.000 0.208 206 G C 0.858 175.788 174.900 0.050 0.000 1.334 206 G CA 0.287 45.428 45.100 0.067 0.000 1.024 206 G HN 2.286 nan 8.290 nan 0.000 0.574 207 G N -1.743 107.104 108.800 0.078 0.000 2.248 207 G HA2 0.188 4.148 3.960 -0.001 0.000 0.252 207 G HA3 0.188 4.148 3.960 -0.001 0.000 0.252 207 G C 0.950 175.963 174.900 0.189 0.000 1.085 207 G CA 0.920 46.095 45.100 0.126 0.000 0.845 207 G HN 1.557 nan 8.290 nan 0.000 0.494 208 A N 0.591 123.473 122.820 0.103 0.000 1.929 208 A HA 0.112 4.431 4.320 -0.001 0.000 0.216 208 A C 2.410 180.118 177.584 0.206 0.000 1.176 208 A CA 2.149 54.233 52.037 0.078 0.000 0.628 208 A CB -0.253 18.736 19.000 -0.019 0.000 0.816 208 A HN 1.045 nan 8.150 nan 0.000 0.444 209 K N 0.393 120.883 120.400 0.151 0.000 2.211 209 K HA -0.128 4.191 4.320 -0.001 0.000 0.204 209 K C 1.211 177.890 176.600 0.132 0.000 1.047 209 K CA 2.208 58.572 56.287 0.128 0.000 0.935 209 K CB -1.784 30.770 32.500 0.090 0.000 0.728 209 K HN 0.296 nan 8.250 nan 0.000 0.452 210 T N 0.744 115.385 114.554 0.144 0.000 3.072 210 T HA 0.051 4.400 4.350 -0.001 0.000 0.266 210 T C 0.898 175.514 174.700 -0.141 0.000 1.127 210 T CA 0.571 62.673 62.100 0.004 0.000 1.107 210 T CB -0.311 68.524 68.868 -0.055 0.000 0.910 210 T HN 0.167 nan 8.240 nan 0.000 0.513 211 F N 0.877 120.808 119.950 -0.031 0.000 2.797 211 F HA 0.414 4.940 4.527 -0.001 0.000 0.302 211 F C 2.137 177.917 175.800 -0.033 0.000 1.130 211 F CA -0.445 57.523 58.000 -0.053 0.000 1.387 211 F CB -0.187 38.761 39.000 -0.087 0.000 1.107 211 F HN 0.138 nan 8.300 nan 0.000 0.577 212 A N -0.752 122.138 122.820 0.117 0.000 2.132 212 A HA 0.040 4.359 4.320 -0.001 0.000 0.213 212 A C 0.979 178.586 177.584 0.039 0.000 1.154 212 A CA 0.061 52.141 52.037 0.072 0.000 0.753 212 A CB -0.380 18.655 19.000 0.058 0.000 0.826 212 A HN 0.252 nan 8.150 nan 0.000 0.469 213 E N 0.933 121.141 120.200 0.013 0.000 2.404 213 E HA 0.303 4.652 4.350 -0.001 0.000 0.261 213 E C -0.200 176.403 176.600 0.005 0.000 1.074 213 E CA 0.310 56.709 56.400 -0.001 0.000 0.917 213 E CB 0.598 30.282 29.700 -0.026 0.000 0.965 213 E HN 0.419 nan 8.360 nan 0.000 0.433 214 T N -0.618 113.945 114.554 0.015 0.000 2.794 214 T HA 0.613 4.962 4.350 -0.001 0.000 0.280 214 T C 0.043 174.763 174.700 0.033 0.000 0.987 214 T CA -1.123 60.996 62.100 0.032 0.000 0.993 214 T CB 1.625 70.515 68.868 0.036 0.000 0.939 214 T HN 0.503 nan 8.240 nan 0.000 0.449 215 A N 2.551 125.404 122.820 0.055 0.000 2.492 215 A HA 0.478 4.797 4.320 -0.001 0.000 0.236 215 A C 1.545 179.160 177.584 0.053 0.000 1.078 215 A CA 0.211 52.286 52.037 0.064 0.000 0.773 215 A CB -0.172 18.903 19.000 0.125 0.000 1.023 215 A HN 1.167 nan 8.150 nan 0.000 0.504 216 T N -1.406 113.174 114.554 0.043 0.000 3.087 216 T HA 0.515 4.864 4.350 -0.001 0.000 0.237 216 T C 1.038 175.755 174.700 0.027 0.000 0.990 216 T CA 0.908 63.025 62.100 0.029 0.000 1.160 216 T CB -0.547 68.333 68.868 0.019 0.000 0.923 216 T HN 1.278 nan 8.240 nan 0.000 0.442 217 A N 0.950 123.788 122.820 0.030 0.000 2.717 217 A HA 0.799 5.119 4.320 -0.001 0.000 0.262 217 A C 1.129 178.732 177.584 0.032 0.000 1.483 217 A CA -0.073 51.977 52.037 0.020 0.000 0.889 217 A CB -0.427 18.583 19.000 0.016 0.000 1.604 217 A HN 1.733 nan 8.150 nan 0.000 0.523 218 G N -1.547 107.259 108.800 0.010 0.000 2.888 218 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.441 218 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.441 218 G C 0.531 175.363 174.900 -0.113 0.000 1.461 218 G CA 0.361 45.455 45.100 -0.009 0.000 0.897 218 G HN 0.824 nan 8.290 nan 0.000 0.547 219 E N -0.554 119.456 120.200 -0.318 0.000 2.097 219 E HA -0.121 4.229 4.350 -0.001 0.000 0.196 219 E C 1.591 177.809 176.600 -0.636 0.000 1.000 219 E CA 2.072 58.062 56.400 -0.682 0.000 0.804 219 E CB -0.079 28.771 29.700 -1.415 0.000 0.740 219 E HN 0.618 nan 8.360 nan 0.000 0.454 220 W N 2.450 123.760 121.300 0.016 0.000 3.269 220 W HA 0.103 4.763 4.660 -0.001 0.000 0.413 220 W C 0.179 176.706 176.519 0.014 0.000 1.057 220 W CA -0.513 56.844 57.345 0.019 0.000 1.953 220 W CB -0.664 28.813 29.460 0.028 0.000 1.053 220 W HN 0.092 nan 8.180 nan 0.000 0.753 221 Q N -0.363 119.500 119.800 0.105 0.000 2.386 221 Q HA 0.338 4.678 4.340 -0.001 0.000 0.282 221 Q C 1.304 177.348 176.000 0.074 0.000 1.050 221 Q CA 1.484 57.333 55.803 0.077 0.000 0.918 221 Q CB 0.544 29.297 28.738 0.026 0.000 1.266 221 Q HN 0.239 nan 8.270 nan 0.000 0.423 222 G N 1.393 110.232 108.800 0.065 0.000 2.417 222 G HA2 -0.318 3.641 3.960 -0.001 0.000 0.233 222 G HA3 -0.318 3.641 3.960 -0.001 0.000 0.233 222 G C -0.016 174.925 174.900 0.068 0.000 1.103 222 G CA 0.287 45.420 45.100 0.055 0.000 0.647 222 G HN 0.613 nan 8.290 nan 0.000 0.512 223 K N 1.952 122.413 120.400 0.101 0.000 2.118 223 K HA 0.522 4.841 4.320 -0.001 0.000 0.264 223 K C 0.936 177.589 176.600 0.087 0.000 1.000 223 K CA 0.238 56.586 56.287 0.102 0.000 0.929 223 K CB 0.889 33.473 32.500 0.141 0.000 1.021 223 K HN 0.416 nan 8.250 nan 0.000 0.463 224 T N -0.546 114.048 114.554 0.067 0.000 2.926 224 T HA 0.073 4.422 4.350 -0.001 0.000 0.307 224 T C 1.619 176.354 174.700 0.057 0.000 1.059 224 T CA -0.498 61.636 62.100 0.056 0.000 1.122 224 T CB 0.351 69.254 68.868 0.057 0.000 0.972 224 T HN 0.460 nan 8.240 nan 0.000 0.545 225 L N 0.719 121.966 121.223 0.040 0.000 2.129 225 L HA -0.164 4.175 4.340 -0.001 0.000 0.212 225 L C 3.108 180.069 176.870 0.152 0.000 1.087 225 L CA 1.710 56.564 54.840 0.024 0.000 0.757 225 L CB -0.681 41.296 42.059 -0.137 0.000 0.896 225 L HN 0.802 nan 8.230 nan 0.000 0.434 226 R N 0.555 121.171 120.500 0.194 0.000 2.066 226 R HA -0.163 4.176 4.340 -0.001 0.000 0.232 226 R C 2.320 178.638 176.300 0.030 0.000 1.131 226 R CA 1.676 57.850 56.100 0.122 0.000 0.955 226 R CB -0.046 30.292 30.300 0.062 0.000 0.851 226 R HN 0.528 nan 8.270 nan 0.000 0.432 227 E N 0.232 120.451 120.200 0.032 0.000 2.153 227 E HA -0.298 4.052 4.350 -0.001 0.000 0.194 227 E C 1.936 178.531 176.600 -0.009 0.000 0.988 227 E CA 1.131 57.544 56.400 0.022 0.000 0.811 227 E CB -0.360 29.369 29.700 0.047 0.000 0.746 227 E HN 0.513 nan 8.360 nan 0.000 0.466 228 Q N 1.440 121.205 119.800 -0.058 0.000 2.096 228 Q HA -0.201 4.138 4.340 -0.001 0.000 0.204 228 Q C 2.239 178.079 176.000 -0.266 0.000 0.982 228 Q CA 1.684 57.312 55.803 -0.291 0.000 0.850 228 Q CB -0.201 28.310 28.738 -0.379 0.000 0.901 228 Q HN 0.314 nan 8.270 nan 0.000 0.422 229 A N 0.886 123.650 122.820 -0.093 0.000 1.841 229 A HA -0.292 4.027 4.320 -0.001 0.000 0.216 229 A C 2.012 179.688 177.584 0.155 0.000 1.199 229 A CA 1.890 53.966 52.037 0.065 0.000 0.621 229 A CB -0.885 18.046 19.000 -0.115 0.000 0.835 229 A HN 0.610 nan 8.150 nan 0.000 0.445 230 Q N -0.591 119.239 119.800 0.049 0.000 2.045 230 Q HA -0.192 4.147 4.340 -0.001 0.000 0.206 230 Q C 2.349 178.362 176.000 0.021 0.000 0.991 230 Q CA 1.724 57.548 55.803 0.035 0.000 0.851 230 Q CB -0.535 28.209 28.738 0.010 0.000 0.911 230 Q HN 0.680 nan 8.270 nan 0.000 0.418 231 A N 1.053 123.880 122.820 0.012 0.000 2.084 231 A HA -0.213 4.106 4.320 -0.001 0.000 0.221 231 A C 1.793 179.398 177.584 0.035 0.000 1.161 231 A CA 1.520 53.584 52.037 0.044 0.000 0.653 231 A CB -0.331 18.725 19.000 0.095 0.000 0.802 231 A HN 0.250 nan 8.150 nan 0.000 0.457 232 R N -2.335 118.141 120.500 -0.041 0.000 2.362 232 R HA 0.303 4.642 4.340 -0.001 0.000 0.227 232 R C 1.314 177.528 176.300 -0.144 0.000 0.905 232 R CA 0.596 56.653 56.100 -0.070 0.000 1.067 232 R CB 0.307 30.509 30.300 -0.162 0.000 1.078 232 R HN 0.599 nan 8.270 nan 0.000 0.516 233 G N -0.405 108.318 108.800 -0.128 0.000 2.545 233 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.195 233 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.195 233 G C -0.303 174.469 174.900 -0.214 0.000 1.009 233 G CA -0.744 44.244 45.100 -0.187 0.000 0.703 233 G HN 0.138 nan 8.290 nan 0.000 0.479 234 Y N 2.489 122.748 120.300 -0.068 0.000 2.811 234 Y HA 0.318 4.867 4.550 -0.001 0.000 0.334 234 Y C 1.304 177.155 175.900 -0.082 0.000 1.247 234 Y CA 0.761 58.813 58.100 -0.081 0.000 1.526 234 Y CB 0.369 38.765 38.460 -0.105 0.000 1.284 234 Y HN 0.260 nan 8.280 nan 0.000 0.586 235 Q N 3.733 123.577 119.800 0.073 0.000 2.322 235 Q HA 0.303 4.642 4.340 -0.001 0.000 0.256 235 Q C -1.101 174.884 176.000 -0.024 0.000 0.960 235 Q CA -0.622 55.186 55.803 0.008 0.000 0.934 235 Q CB 0.984 29.718 28.738 -0.005 0.000 1.200 235 Q HN 0.370 nan 8.270 nan 0.000 0.435 236 L N 4.364 125.550 121.223 -0.063 0.000 2.257 236 L HA 0.377 4.717 4.340 -0.001 0.000 0.290 236 L C -0.043 176.739 176.870 -0.146 0.000 1.044 236 L CA -0.373 54.381 54.840 -0.144 0.000 0.810 236 L CB 0.825 42.788 42.059 -0.160 0.000 1.193 236 L HN 0.427 nan 8.230 nan 0.000 0.425 237 V N 1.226 121.015 119.914 -0.207 0.000 2.667 237 V HA 0.749 4.869 4.120 -0.001 0.000 0.308 237 V C 0.512 176.416 176.094 -0.317 0.000 1.048 237 V CA -0.462 61.734 62.300 -0.174 0.000 0.928 237 V CB 1.704 33.477 31.823 -0.083 0.000 1.004 237 V HN 0.784 nan 8.190 nan 0.000 0.444 238 S N 0.491 116.102 115.700 -0.147 0.000 2.780 238 S HA 0.396 4.865 4.470 -0.001 0.000 0.248 238 S C -0.136 174.600 174.600 0.225 0.000 1.036 238 S CA 0.161 58.293 58.200 -0.115 0.000 1.061 238 S CB -0.541 62.602 63.200 -0.096 0.000 1.037 238 S HN 1.165 nan 8.310 nan 0.000 0.584 239 D N -0.804 119.797 120.400 0.335 0.000 2.665 239 D HA 0.703 5.342 4.640 -0.001 0.000 0.287 239 D C 0.931 177.351 176.300 0.199 0.000 1.266 239 D CA -0.410 53.764 54.000 0.290 0.000 0.830 239 D CB 0.665 41.539 40.800 0.123 0.000 1.356 239 D HN -0.059 nan 8.370 nan 0.000 0.437 240 A N 0.347 123.180 122.820 0.020 0.000 1.883 240 A HA 0.051 4.371 4.320 -0.001 0.000 0.217 240 A C 2.232 179.824 177.584 0.012 0.000 1.186 240 A CA 2.792 54.804 52.037 -0.041 0.000 0.624 240 A CB -1.523 17.434 19.000 -0.072 0.000 0.822 240 A HN 0.815 nan 8.150 nan 0.000 0.444 241 A N 0.147 122.982 122.820 0.024 0.000 1.902 241 A HA -0.106 4.214 4.320 -0.001 0.000 0.217 241 A C 2.519 180.123 177.584 0.033 0.000 1.181 241 A CA 2.508 54.558 52.037 0.022 0.000 0.623 241 A CB -0.942 18.068 19.000 0.017 0.000 0.818 241 A HN 0.972 nan 8.150 nan 0.000 0.443 242 S N -0.304 115.429 115.700 0.055 0.000 2.395 242 S HA -0.082 4.387 4.470 -0.001 0.000 0.225 242 S C 1.820 176.458 174.600 0.064 0.000 1.027 242 S CA 1.140 59.369 58.200 0.048 0.000 0.965 242 S CB -0.671 62.555 63.200 0.042 0.000 0.812 242 S HN 0.522 nan 8.310 nan 0.000 0.482 243 L N 2.521 123.816 121.223 0.120 0.000 2.127 243 L HA 0.028 4.368 4.340 -0.001 0.000 0.211 243 L C 1.600 178.502 176.870 0.054 0.000 1.089 243 L CA 1.786 56.705 54.840 0.132 0.000 0.757 243 L CB -1.118 41.072 42.059 0.218 0.000 0.899 243 L HN 0.162 nan 8.230 nan 0.000 0.434 244 N N -1.074 117.644 118.700 0.029 0.000 2.463 244 N HA -0.016 4.724 4.740 -0.001 0.000 0.181 244 N C 1.669 177.183 175.510 0.008 0.000 1.078 244 N CA 0.920 53.976 53.050 0.009 0.000 0.902 244 N CB 0.148 38.634 38.487 -0.001 0.000 0.970 244 N HN 0.334 nan 8.380 nan 0.000 0.451 245 S N -0.139 115.569 115.700 0.013 0.000 2.527 245 S HA 0.074 4.543 4.470 -0.001 0.000 0.222 245 S C 0.730 175.333 174.600 0.005 0.000 0.985 245 S CA -0.108 58.097 58.200 0.008 0.000 0.921 245 S CB 0.330 63.535 63.200 0.008 0.000 0.772 245 S HN 0.010 nan 8.310 nan 0.000 0.529 246 V N 2.438 122.356 119.914 0.006 0.000 2.715 246 V HA 0.227 4.347 4.120 -0.001 0.000 0.299 246 V C 1.295 177.387 176.094 -0.003 0.000 1.054 246 V CA 0.419 62.720 62.300 0.001 0.000 1.077 246 V CB 0.930 32.755 31.823 0.002 0.000 0.972 246 V HN 0.472 nan 8.190 nan 0.000 0.484 247 T N 0.049 114.600 114.554 -0.005 0.000 3.115 247 T HA 0.234 4.583 4.350 -0.001 0.000 0.256 247 T C 0.382 175.078 174.700 -0.007 0.000 0.970 247 T CA -0.045 62.052 62.100 -0.005 0.000 1.010 247 T CB 0.228 69.095 68.868 -0.001 0.000 1.151 247 T HN 0.543 nan 8.240 nan 0.000 0.479 248 E N 0.925 121.121 120.200 -0.007 0.000 2.232 248 E HA 0.722 5.071 4.350 -0.001 0.000 0.265 248 E C -1.343 175.249 176.600 -0.013 0.000 1.001 248 E CA -0.503 55.892 56.400 -0.009 0.000 0.870 248 E CB 1.780 31.476 29.700 -0.008 0.000 1.175 248 E HN 0.615 nan 8.360 nan 0.000 0.407 249 A N 3.368 126.179 122.820 -0.015 0.000 2.458 249 A HA 0.473 4.792 4.320 -0.001 0.000 0.304 249 A C -1.599 175.977 177.584 -0.014 0.000 1.026 249 A CA -0.834 51.193 52.037 -0.017 0.000 1.021 249 A CB -0.152 18.835 19.000 -0.022 0.000 1.479 249 A HN 0.667 nan 8.150 nan 0.000 0.385 250 N N 0.761 119.451 118.700 -0.017 0.000 3.364 250 N HA 0.274 5.014 4.740 -0.001 0.000 0.294 250 N C 0.421 175.913 175.510 -0.030 0.000 1.562 250 N CA -0.606 52.437 53.050 -0.011 0.000 0.862 250 N CB 0.144 38.628 38.487 -0.005 0.000 1.691 250 N HN 0.086 nan 8.380 nan 0.000 0.572 251 Q N -0.418 119.368 119.800 -0.024 0.000 2.181 251 Q HA -0.130 4.210 4.340 -0.001 0.000 0.205 251 Q C 1.217 177.169 176.000 -0.080 0.000 0.980 251 Q CA 1.863 57.640 55.803 -0.044 0.000 0.862 251 Q CB -0.228 28.498 28.738 -0.019 0.000 0.905 251 Q HN 0.742 nan 8.270 nan 0.000 0.429 252 Q N -0.335 119.427 119.800 -0.064 0.000 2.339 252 Q HA 0.058 4.397 4.340 -0.001 0.000 0.205 252 Q C 0.276 176.220 176.000 -0.092 0.000 0.925 252 Q CA 0.610 56.369 55.803 -0.073 0.000 0.898 252 Q CB 0.255 28.968 28.738 -0.042 0.000 1.013 252 Q HN 0.143 nan 8.270 nan 0.000 0.504 253 K N 1.549 121.901 120.400 -0.079 0.000 3.022 253 K HA 0.390 4.709 4.320 -0.001 0.000 0.178 253 K C -2.669 173.889 176.600 -0.070 0.000 1.089 253 K CA -1.757 54.486 56.287 -0.073 0.000 0.916 253 K CB 1.484 33.960 32.500 -0.041 0.000 1.159 253 K HN 0.025 nan 8.250 nan 0.000 0.592 254 P HA -0.037 nan 4.420 nan 0.000 0.268 254 P C -0.848 176.490 177.300 0.064 0.000 1.204 254 P CA -0.420 62.648 63.100 -0.054 0.000 0.768 254 P CB 0.553 32.123 31.700 -0.215 0.000 0.842 255 L N 5.072 126.341 121.223 0.077 0.000 2.289 255 L HA 0.552 4.892 4.340 -0.001 0.000 0.285 255 L C -1.111 175.787 176.870 0.046 0.000 1.049 255 L CA -0.463 54.409 54.840 0.052 0.000 0.804 255 L CB 0.850 42.914 42.059 0.009 0.000 1.195 255 L HN 0.158 nan 8.230 nan 0.000 0.428 256 L N 5.142 126.344 121.223 -0.035 0.000 2.377 256 L HA 0.711 5.050 4.340 -0.001 0.000 0.270 256 L C -0.118 176.564 176.870 -0.314 0.000 0.991 256 L CA -0.037 54.692 54.840 -0.184 0.000 0.851 256 L CB 1.348 43.228 42.059 -0.297 0.000 1.218 256 L HN 0.681 nan 8.230 nan 0.000 0.420 257 G N 6.079 114.655 108.800 -0.372 0.000 2.404 257 G HA2 0.534 4.494 3.960 -0.001 0.000 0.316 257 G HA3 0.534 4.494 3.960 -0.001 0.000 0.316 257 G C -0.891 173.444 174.900 -0.943 0.000 1.074 257 G CA -0.360 44.269 45.100 -0.784 0.000 0.989 257 G HN 0.518 nan 8.290 nan 0.000 0.430 258 L N 3.028 123.710 121.223 -0.902 0.000 2.301 258 L HA 0.360 4.700 4.340 -0.001 0.000 0.278 258 L C -0.105 176.452 176.870 -0.522 0.000 1.022 258 L CA -0.682 53.808 54.840 -0.583 0.000 0.854 258 L CB 0.974 42.740 42.059 -0.489 0.000 1.226 258 L HN 0.527 nan 8.230 nan 0.000 0.429 259 F N 1.637 121.545 119.950 -0.071 0.000 2.695 259 F HA 0.505 5.031 4.527 -0.001 0.000 0.303 259 F C 1.001 176.784 175.800 -0.029 0.000 1.091 259 F CA -0.344 57.627 58.000 -0.047 0.000 1.300 259 F CB 0.421 39.396 39.000 -0.042 0.000 1.071 259 F HN 0.432 nan 8.300 nan 0.000 0.578 260 A N -0.580 122.300 122.820 0.100 0.000 2.594 260 A HA 0.363 4.682 4.320 -0.001 0.000 0.296 260 A C 0.185 177.798 177.584 0.049 0.000 1.061 260 A CA -0.667 51.415 52.037 0.075 0.000 0.689 260 A CB 0.573 19.624 19.000 0.086 0.000 1.280 260 A HN -0.043 nan 8.150 nan 0.000 0.406 261 D N 0.853 121.282 120.400 0.047 0.000 2.104 261 D HA -0.062 4.578 4.640 -0.001 0.000 0.194 261 D C 1.388 177.733 176.300 0.076 0.000 0.994 261 D CA 2.611 56.643 54.000 0.054 0.000 0.830 261 D CB 0.165 40.993 40.800 0.047 0.000 0.959 261 D HN 0.716 nan 8.370 nan 0.000 0.452 262 G N -0.177 108.667 108.800 0.074 0.000 3.414 262 G HA2 0.129 4.088 3.960 -0.001 0.000 0.189 262 G HA3 0.129 4.088 3.960 -0.001 0.000 0.189 262 G C 0.117 175.066 174.900 0.082 0.000 1.329 262 G CA -0.361 44.793 45.100 0.090 0.000 0.851 262 G HN 0.011 nan 8.290 nan 0.000 0.671 263 N N 0.633 119.377 118.700 0.075 0.000 2.508 263 N HA 0.203 4.942 4.740 -0.001 0.000 0.264 263 N C 0.025 175.569 175.510 0.056 0.000 1.216 263 N CA 0.153 53.242 53.050 0.065 0.000 0.943 263 N CB 1.009 39.531 38.487 0.057 0.000 1.113 263 N HN 0.236 nan 8.380 nan 0.000 0.447 264 M N 2.458 122.090 119.600 0.053 0.000 2.243 264 M HA 0.146 4.626 4.480 -0.001 0.000 0.341 264 M C -1.661 174.654 176.300 0.025 0.000 1.130 264 M CA -1.135 54.192 55.300 0.044 0.000 1.162 264 M CB 0.304 32.926 32.600 0.036 0.000 1.497 264 M HN 0.315 nan 8.290 nan 0.000 0.456 265 P HA 0.013 nan 4.420 nan 0.000 0.267 265 P C -0.578 176.726 177.300 0.006 0.000 1.200 265 P CA -0.203 62.908 63.100 0.018 0.000 0.772 265 P CB 0.450 32.163 31.700 0.022 0.000 0.855 266 V N 4.009 123.928 119.914 0.008 0.000 3.051 266 V HA 0.021 4.140 4.120 -0.001 0.000 0.306 266 V C 2.261 178.366 176.094 0.017 0.000 1.083 266 V CA 0.049 62.345 62.300 -0.007 0.000 1.104 266 V CB 0.461 32.282 31.823 -0.002 0.000 1.027 266 V HN 0.583 nan 8.190 nan 0.000 0.483 267 R N 1.613 122.105 120.500 -0.012 0.000 2.100 267 R HA 0.011 4.351 4.340 -0.001 0.000 0.220 267 R C -0.512 175.990 176.300 0.336 0.000 1.091 267 R CA 0.881 57.024 56.100 0.071 0.000 0.986 267 R CB 0.177 30.431 30.300 -0.076 0.000 0.888 267 R HN 0.611 nan 8.270 nan 0.000 0.444 268 W N 0.097 121.385 121.300 -0.019 0.000 2.819 268 W HA 0.397 5.056 4.660 -0.001 0.000 0.337 268 W C -0.260 176.245 176.519 -0.023 0.000 1.077 268 W CA -1.642 55.693 57.345 -0.018 0.000 1.226 268 W CB 0.108 29.552 29.460 -0.027 0.000 1.419 268 W HN -0.208 nan 8.180 nan 0.000 0.502 269 L N 1.706 123.063 121.223 0.223 0.000 2.431 269 L HA 0.935 5.274 4.340 -0.001 0.000 0.260 269 L C 0.451 177.387 176.870 0.109 0.000 1.098 269 L CA 0.041 54.953 54.840 0.119 0.000 0.800 269 L CB 1.358 43.458 42.059 0.068 0.000 1.210 269 L HN 0.558 nan 8.230 nan 0.000 0.465 270 G N 1.516 110.357 108.800 0.069 0.000 2.405 270 G HA2 0.341 4.300 3.960 -0.001 0.000 0.303 270 G HA3 0.341 4.300 3.960 -0.001 0.000 0.303 270 G C -3.181 171.741 174.900 0.036 0.000 1.644 270 G CA -0.758 44.375 45.100 0.054 0.000 0.899 270 G HN 0.485 nan 8.290 nan 0.000 0.667 271 P HA 0.265 nan 4.420 nan 0.000 0.273 271 P C -0.492 176.816 177.300 0.013 0.000 1.250 271 P CA -0.338 62.775 63.100 0.022 0.000 0.793 271 P CB 1.115 32.831 31.700 0.027 0.000 1.011 272 K N 0.471 120.872 120.400 0.001 0.000 2.144 272 K HA 0.468 4.787 4.320 -0.001 0.000 0.270 272 K C -0.134 176.463 176.600 -0.004 0.000 1.005 272 K CA -0.640 55.631 56.287 -0.026 0.000 0.932 272 K CB 0.835 33.312 32.500 -0.038 0.000 1.021 272 K HN 0.523 nan 8.250 nan 0.000 0.462 273 A N 2.183 124.991 122.820 -0.020 0.000 2.520 273 A HA 0.217 4.536 4.320 -0.001 0.000 0.235 273 A C 0.076 177.699 177.584 0.064 0.000 1.065 273 A CA 0.371 52.443 52.037 0.057 0.000 0.764 273 A CB -0.070 19.009 19.000 0.131 0.000 1.002 273 A HN 0.885 nan 8.150 nan 0.000 0.502 274 T N -1.328 113.286 114.554 0.100 0.000 2.865 274 T HA 0.484 4.833 4.350 -0.001 0.000 0.294 274 T C -0.582 174.216 174.700 0.164 0.000 1.119 274 T CA -0.567 61.603 62.100 0.117 0.000 1.007 274 T CB 0.699 69.625 68.868 0.097 0.000 1.225 274 T HN 0.726 nan 8.240 nan 0.000 0.515 275 Y N 2.049 122.368 120.300 0.031 0.000 2.650 275 Y HA 0.130 4.680 4.550 -0.001 0.000 0.331 275 Y C 1.423 177.371 175.900 0.080 0.000 1.165 275 Y CA 0.790 58.884 58.100 -0.010 0.000 1.473 275 Y CB -0.979 37.415 38.460 -0.109 0.000 1.224 275 Y HN 1.023 nan 8.280 nan 0.000 0.533 276 H N 1.670 120.502 119.070 -0.397 0.000 3.179 276 H HA -0.236 4.320 4.556 -0.001 0.000 0.250 276 H C 1.568 176.819 175.328 -0.128 0.000 1.142 276 H CA 0.082 55.921 56.048 -0.348 0.000 1.165 276 H CB -1.121 28.341 29.762 -0.500 0.000 1.253 276 H HN 0.944 nan 8.280 nan 0.000 0.325 277 G N 1.219 110.061 108.800 0.071 0.000 2.479 277 G HA2 -0.325 3.635 3.960 -0.001 0.000 0.220 277 G HA3 -0.325 3.635 3.960 -0.001 0.000 0.220 277 G C 1.609 176.536 174.900 0.045 0.000 1.115 277 G CA 0.994 46.133 45.100 0.065 0.000 0.757 277 G HN 0.733 nan 8.290 nan 0.000 0.560 278 N N 1.220 119.941 118.700 0.035 0.000 2.409 278 N HA -0.047 4.692 4.740 -0.001 0.000 0.179 278 N C 2.144 177.649 175.510 -0.008 0.000 1.032 278 N CA 1.414 54.476 53.050 0.020 0.000 0.898 278 N CB -0.262 38.237 38.487 0.019 0.000 0.971 278 N HN 0.601 nan 8.380 nan 0.000 0.441 279 I N -2.916 117.633 120.570 -0.035 0.000 3.172 279 I HA 0.236 4.405 4.170 -0.001 0.000 0.278 279 I C 0.788 176.883 176.117 -0.036 0.000 1.174 279 I CA 0.408 61.671 61.300 -0.061 0.000 1.445 279 I CB -0.044 37.869 38.000 -0.144 0.000 1.175 279 I HN -0.304 nan 8.210 nan 0.000 0.447 280 D N 1.833 122.224 120.400 -0.014 0.000 2.249 280 D HA 0.094 4.733 4.640 -0.001 0.000 0.205 280 D C 0.437 176.748 176.300 0.018 0.000 0.962 280 D CA 1.048 55.053 54.000 0.009 0.000 0.860 280 D CB 0.267 41.091 40.800 0.039 0.000 0.955 280 D HN 0.413 nan 8.370 nan 0.000 0.505 281 K N 0.685 121.099 120.400 0.023 0.000 2.238 281 K HA 0.421 4.740 4.320 -0.001 0.000 0.239 281 K C -2.384 174.230 176.600 0.023 0.000 0.987 281 K CA -1.797 54.506 56.287 0.027 0.000 0.857 281 K CB 1.461 33.983 32.500 0.036 0.000 1.154 281 K HN -0.112 nan 8.250 nan 0.000 0.439 282 P HA 0.028 nan 4.420 nan 0.000 0.272 282 P C -0.944 176.374 177.300 0.031 0.000 1.240 282 P CA -0.338 62.775 63.100 0.022 0.000 0.791 282 P CB 0.536 32.248 31.700 0.020 0.000 0.978 283 A N 1.727 124.566 122.820 0.032 0.000 2.440 283 A HA 0.364 4.683 4.320 -0.001 0.000 0.251 283 A C 0.231 177.847 177.584 0.054 0.000 1.089 283 A CA -0.391 51.673 52.037 0.045 0.000 0.779 283 A CB -0.124 18.900 19.000 0.040 0.000 1.022 283 A HN 0.357 nan 8.150 nan 0.000 0.492 284 V N 1.949 121.908 119.914 0.075 0.000 2.716 284 V HA 0.547 4.667 4.120 -0.001 0.000 0.304 284 V C 0.429 176.597 176.094 0.124 0.000 1.053 284 V CA -0.284 62.065 62.300 0.083 0.000 0.984 284 V CB 1.744 33.615 31.823 0.081 0.000 1.021 284 V HN 0.928 nan 8.190 nan 0.000 0.467 285 T N 2.154 116.768 114.554 0.101 0.000 2.841 285 T HA 0.327 4.676 4.350 -0.001 0.000 0.285 285 T C -0.213 174.541 174.700 0.090 0.000 0.991 285 T CA -0.337 61.842 62.100 0.131 0.000 0.966 285 T CB 0.970 69.867 68.868 0.048 0.000 0.962 285 T HN 0.761 nan 8.240 nan 0.000 0.438 286 c N 3.236 121.918 118.600 0.137 0.000 2.689 286 c HA 0.589 5.159 4.570 -0.001 0.000 0.409 286 c C 1.123 175.093 174.090 -0.199 0.000 1.293 286 c CA -0.374 55.933 56.329 -0.036 0.000 2.136 286 c CB -0.364 42.092 42.510 -0.090 0.000 2.719 286 c HN 0.904 nan 8.230 nan 0.000 0.644 287 T N 2.455 116.893 114.554 -0.193 0.000 2.896 287 T HA 0.466 4.815 4.350 -0.001 0.000 0.297 287 T C -2.827 171.752 174.700 -0.202 0.000 1.108 287 T CA -0.807 61.168 62.100 -0.208 0.000 1.004 287 T CB 1.816 70.638 68.868 -0.078 0.000 1.159 287 T HN 0.334 nan 8.240 nan 0.000 0.499 288 P HA 0.234 nan 4.420 nan 0.000 0.272 288 P C -0.631 176.704 177.300 0.058 0.000 1.223 288 P CA -0.558 62.526 63.100 -0.026 0.000 0.784 288 P CB 0.392 32.075 31.700 -0.029 0.000 0.923 289 N N 2.968 121.743 118.700 0.125 0.000 2.401 289 N HA 0.129 4.869 4.740 -0.001 0.000 0.255 289 N C -1.746 173.797 175.510 0.054 0.000 1.110 289 N CA -2.126 50.977 53.050 0.088 0.000 0.949 289 N CB -0.012 38.533 38.487 0.097 0.000 1.110 289 N HN 0.149 nan 8.380 nan 0.000 0.490 290 P HA -0.139 nan 4.420 nan 0.000 0.216 290 P C 0.909 178.223 177.300 0.024 0.000 1.153 290 P CA 1.202 64.316 63.100 0.023 0.000 0.858 290 P CB 0.415 32.126 31.700 0.017 0.000 0.789 291 Q N -0.650 119.166 119.800 0.027 0.000 2.050 291 Q HA -0.117 4.222 4.340 -0.001 0.000 0.202 291 Q C 1.115 177.130 176.000 0.025 0.000 0.980 291 Q CA 0.934 56.752 55.803 0.024 0.000 0.840 291 Q CB -0.874 27.879 28.738 0.026 0.000 0.898 291 Q HN 0.150 nan 8.270 nan 0.000 0.424 292 R N 2.088 122.606 120.500 0.030 0.000 2.561 292 R HA -0.047 4.293 4.340 -0.001 0.000 0.347 292 R C -0.970 175.342 176.300 0.019 0.000 0.916 292 R CA 0.115 56.231 56.100 0.026 0.000 1.063 292 R CB -0.422 29.898 30.300 0.033 0.000 0.916 292 R HN 0.250 nan 8.270 nan 0.000 0.410 293 N N 2.666 121.375 118.700 0.015 0.000 2.453 293 N HA -0.071 4.669 4.740 -0.001 0.000 0.253 293 N C 0.241 175.753 175.510 0.003 0.000 1.252 293 N CA -0.338 52.718 53.050 0.011 0.000 0.917 293 N CB 0.679 39.175 38.487 0.014 0.000 1.117 293 N HN 0.569 nan 8.380 nan 0.000 0.442 294 D N 0.098 120.499 120.400 0.001 0.000 2.310 294 D HA -0.102 4.538 4.640 -0.001 0.000 0.212 294 D C 1.197 177.487 176.300 -0.017 0.000 0.965 294 D CA 0.809 54.805 54.000 -0.006 0.000 0.879 294 D CB 0.099 40.897 40.800 -0.003 0.000 0.921 294 D HN 0.589 nan 8.370 nan 0.000 0.510 295 S N -0.664 115.030 115.700 -0.010 0.000 2.522 295 S HA -0.002 4.468 4.470 -0.001 0.000 0.227 295 S C 0.997 175.578 174.600 -0.032 0.000 0.986 295 S CA -0.210 57.984 58.200 -0.011 0.000 0.929 295 S CB 0.056 63.264 63.200 0.012 0.000 0.769 295 S HN -0.092 nan 8.310 nan 0.000 0.529 296 V N 4.324 124.212 119.914 -0.044 0.000 2.427 296 V HA 0.289 4.409 4.120 -0.001 0.000 0.268 296 V C -2.186 173.791 176.094 -0.195 0.000 1.046 296 V CA -1.893 60.352 62.300 -0.092 0.000 0.970 296 V CB 0.019 31.818 31.823 -0.041 0.000 1.001 296 V HN 0.224 nan 8.190 nan 0.000 0.476 297 P HA 0.128 nan 4.420 nan 0.000 0.269 297 P C 0.163 177.287 177.300 -0.292 0.000 1.211 297 P CA 0.115 62.965 63.100 -0.415 0.000 0.781 297 P CB 0.287 31.508 31.700 -0.798 0.000 0.877 298 T N -0.861 113.570 114.554 -0.206 0.000 2.944 298 T HA 0.249 4.598 4.350 -0.001 0.000 0.284 298 T C 0.967 175.578 174.700 -0.148 0.000 1.010 298 T CA -0.740 61.273 62.100 -0.145 0.000 1.025 298 T CB 0.559 69.370 68.868 -0.094 0.000 1.079 298 T HN 0.139 nan 8.240 nan 0.000 0.516 299 L N 1.924 123.075 121.223 -0.120 0.000 2.013 299 L HA 0.004 4.343 4.340 -0.001 0.000 0.212 299 L C 2.777 179.583 176.870 -0.107 0.000 1.073 299 L CA 2.673 57.446 54.840 -0.111 0.000 0.753 299 L CB -1.416 40.581 42.059 -0.103 0.000 0.890 299 L HN 0.961 nan 8.230 nan 0.000 0.432 300 A N -1.593 121.168 122.820 -0.099 0.000 1.933 300 A HA -0.243 4.077 4.320 -0.001 0.000 0.218 300 A C 2.184 179.715 177.584 -0.089 0.000 1.175 300 A CA 1.690 53.675 52.037 -0.088 0.000 0.628 300 A CB -0.529 18.428 19.000 -0.071 0.000 0.814 300 A HN 0.661 nan 8.150 nan 0.000 0.444 301 Q N -0.959 118.782 119.800 -0.099 0.000 2.084 301 Q HA -0.146 4.194 4.340 -0.001 0.000 0.202 301 Q C 2.230 178.161 176.000 -0.114 0.000 0.978 301 Q CA 1.771 57.512 55.803 -0.104 0.000 0.844 301 Q CB -0.270 28.395 28.738 -0.122 0.000 0.898 301 Q HN 0.721 nan 8.270 nan 0.000 0.426 302 M N -0.417 119.102 119.600 -0.136 0.000 2.132 302 M HA -0.129 4.351 4.480 -0.001 0.000 0.263 302 M C 2.175 178.417 176.300 -0.098 0.000 1.065 302 M CA 1.336 56.568 55.300 -0.114 0.000 1.122 302 M CB -0.344 32.189 32.600 -0.111 0.000 1.365 302 M HN 0.153 nan 8.290 nan 0.000 0.411 303 T N 0.027 114.518 114.554 -0.106 0.000 2.788 303 T HA -0.172 4.177 4.350 -0.001 0.000 0.268 303 T C 1.337 175.954 174.700 -0.139 0.000 1.044 303 T CA 1.742 63.768 62.100 -0.123 0.000 1.139 303 T CB -0.398 68.401 68.868 -0.115 0.000 0.867 303 T HN 0.375 nan 8.240 nan 0.000 0.454 304 D N 0.975 121.310 120.400 -0.110 0.000 2.087 304 D HA -0.115 4.525 4.640 -0.001 0.000 0.192 304 D C 2.175 178.408 176.300 -0.112 0.000 0.993 304 D CA 1.332 55.274 54.000 -0.097 0.000 0.828 304 D CB -0.188 40.574 40.800 -0.065 0.000 0.968 304 D HN 0.141 nan 8.370 nan 0.000 0.448 305 K N 0.424 120.767 120.400 -0.095 0.000 2.032 305 K HA -0.044 4.275 4.320 -0.001 0.000 0.209 305 K C 1.917 178.440 176.600 -0.129 0.000 1.048 305 K CA 1.693 57.928 56.287 -0.086 0.000 0.927 305 K CB -0.880 31.589 32.500 -0.052 0.000 0.712 305 K HN 0.127 nan 8.250 nan 0.000 0.441 306 A N 1.171 123.902 122.820 -0.149 0.000 1.869 306 A HA -0.224 4.095 4.320 -0.001 0.000 0.218 306 A C 2.279 179.647 177.584 -0.360 0.000 1.203 306 A CA 2.220 54.131 52.037 -0.211 0.000 0.638 306 A CB -0.991 17.889 19.000 -0.200 0.000 0.831 306 A HN 0.387 nan 8.150 nan 0.000 0.450 307 I N -0.600 119.722 120.570 -0.413 0.000 2.151 307 I HA -0.326 3.844 4.170 -0.001 0.000 0.243 307 I C 2.669 178.525 176.117 -0.435 0.000 1.080 307 I CA 2.115 63.054 61.300 -0.602 0.000 1.339 307 I CB -0.607 37.093 38.000 -0.499 0.000 1.039 307 I HN 0.631 nan 8.210 nan 0.000 0.409 308 E N 1.417 121.481 120.200 -0.227 0.000 2.085 308 E HA -0.230 4.119 4.350 -0.001 0.000 0.194 308 E C 2.371 178.908 176.600 -0.105 0.000 0.994 308 E CA 1.319 57.655 56.400 -0.107 0.000 0.801 308 E CB 0.004 29.666 29.700 -0.063 0.000 0.743 308 E HN 0.481 nan 8.360 nan 0.000 0.453 309 L N 0.365 121.502 121.223 -0.143 0.000 2.023 309 L HA -0.143 4.196 4.340 -0.001 0.000 0.205 309 L C 2.695 179.479 176.870 -0.143 0.000 1.073 309 L CA 0.726 55.499 54.840 -0.112 0.000 0.745 309 L CB -0.387 41.611 42.059 -0.103 0.000 0.900 309 L HN 0.229 nan 8.230 nan 0.000 0.435 310 L N -0.188 120.853 121.223 -0.304 0.000 2.131 310 L HA -0.170 4.169 4.340 -0.001 0.000 0.210 310 L C 2.789 179.552 176.870 -0.179 0.000 1.092 310 L CA 1.352 55.955 54.840 -0.396 0.000 0.759 310 L CB -0.678 40.812 42.059 -0.948 0.000 0.903 310 L HN 0.374 nan 8.230 nan 0.000 0.435 311 S N -0.329 115.267 115.700 -0.174 0.000 2.469 311 S HA -0.184 4.286 4.470 -0.001 0.000 0.238 311 S C 1.750 176.484 174.600 0.224 0.000 0.998 311 S CA 0.850 59.204 58.200 0.258 0.000 0.957 311 S CB -0.357 62.993 63.200 0.251 0.000 0.764 311 S HN 0.438 nan 8.310 nan 0.000 0.514 312 K N 1.485 121.951 120.400 0.110 0.000 2.209 312 K HA 0.009 4.328 4.320 -0.001 0.000 0.204 312 K C 0.683 177.347 176.600 0.106 0.000 1.048 312 K CA 0.699 57.041 56.287 0.091 0.000 0.940 312 K CB -0.356 32.172 32.500 0.047 0.000 0.729 312 K HN 0.310 nan 8.250 nan 0.000 0.451 313 N N 2.028 120.810 118.700 0.137 0.000 2.431 313 N HA -0.071 4.668 4.740 -0.001 0.000 0.265 313 N C 0.604 176.187 175.510 0.122 0.000 1.184 313 N CA 0.338 53.464 53.050 0.126 0.000 0.943 313 N CB 0.861 39.435 38.487 0.144 0.000 1.080 313 N HN 0.005 nan 8.380 nan 0.000 0.477 314 E N 3.322 123.573 120.200 0.084 0.000 2.219 314 E HA -0.200 4.149 4.350 -0.001 0.000 0.198 314 E C 0.770 177.404 176.600 0.057 0.000 0.998 314 E CA 1.276 57.716 56.400 0.067 0.000 0.818 314 E CB 0.280 30.009 29.700 0.049 0.000 0.741 314 E HN 0.656 nan 8.360 nan 0.000 0.477 315 K N -0.860 119.576 120.400 0.061 0.000 2.044 315 K HA 0.117 4.436 4.320 -0.001 0.000 0.204 315 K C 1.182 177.805 176.600 0.038 0.000 1.049 315 K CA 0.863 57.178 56.287 0.046 0.000 0.945 315 K CB 0.293 32.822 32.500 0.049 0.000 0.724 315 K HN 0.142 nan 8.250 nan 0.000 0.440 316 G N 0.342 109.182 108.800 0.067 0.000 2.359 316 G HA2 0.199 4.159 3.960 -0.001 0.000 0.303 316 G HA3 0.199 4.159 3.960 -0.001 0.000 0.303 316 G C -1.540 173.433 174.900 0.121 0.000 1.293 316 G CA -0.736 44.367 45.100 0.005 0.000 0.964 316 G HN 0.158 nan 8.290 nan 0.000 0.531 317 F N -2.158 117.838 119.950 0.077 0.000 2.726 317 F HA 0.936 5.462 4.527 -0.001 0.000 0.324 317 F C -1.243 174.634 175.800 0.127 0.000 1.140 317 F CA -2.269 55.779 58.000 0.080 0.000 0.964 317 F CB 1.685 40.697 39.000 0.020 0.000 1.399 317 F HN 0.976 nan 8.300 nan 0.000 0.491 318 F N 2.170 122.349 119.950 0.381 0.000 2.581 318 F HA 0.784 5.311 4.527 -0.001 0.000 0.311 318 F C -2.373 173.575 175.800 0.246 0.000 1.113 318 F CA -1.189 56.955 58.000 0.239 0.000 0.935 318 F CB 2.042 41.116 39.000 0.123 0.000 1.232 318 F HN 0.701 nan 8.300 nan 0.000 0.445 319 L N 5.915 126.632 121.223 -0.843 0.000 2.491 319 L HA 0.427 4.767 4.340 -0.001 0.000 0.267 319 L C -1.415 175.073 176.870 -0.636 0.000 0.971 319 L CA -0.191 54.309 54.840 -0.568 0.000 0.857 319 L CB 1.780 43.686 42.059 -0.255 0.000 1.226 319 L HN 0.790 nan 8.230 nan 0.000 0.408 320 Q N 3.658 123.212 119.800 -0.410 0.000 2.296 320 Q HA 0.655 4.994 4.340 -0.001 0.000 0.257 320 Q C -1.605 174.342 176.000 -0.089 0.000 0.942 320 Q CA -0.513 55.191 55.803 -0.165 0.000 0.939 320 Q CB 1.387 30.212 28.738 0.144 0.000 1.198 320 Q HN 0.616 nan 8.270 nan 0.000 0.429 321 V N 4.722 124.570 119.914 -0.110 0.000 2.444 321 V HA 0.361 4.481 4.120 -0.001 0.000 0.294 321 V C -0.500 175.547 176.094 -0.077 0.000 1.022 321 V CA -0.658 61.589 62.300 -0.089 0.000 0.850 321 V CB 1.563 33.317 31.823 -0.115 0.000 0.992 321 V HN 0.792 nan 8.190 nan 0.000 0.426 322 E N 3.281 123.455 120.200 -0.042 0.000 2.199 322 E HA 0.610 4.959 4.350 -0.001 0.000 0.269 322 E C -0.163 176.408 176.600 -0.050 0.000 0.899 322 E CA -0.679 55.698 56.400 -0.039 0.000 0.772 322 E CB 2.162 31.873 29.700 0.019 0.000 1.155 322 E HN 0.792 nan 8.360 nan 0.000 0.408 323 G N 2.684 111.439 108.800 -0.075 0.000 2.741 323 G HA2 0.431 4.390 3.960 -0.001 0.000 0.336 323 G HA3 0.431 4.390 3.960 -0.001 0.000 0.336 323 G C 0.445 175.310 174.900 -0.058 0.000 1.022 323 G CA 0.208 45.256 45.100 -0.086 0.000 1.193 323 G HN 0.550 nan 8.290 nan 0.000 0.455 324 A N 2.110 124.916 122.820 -0.024 0.000 1.898 324 A HA 0.067 4.386 4.320 -0.001 0.000 0.214 324 A C 2.364 179.962 177.584 0.023 0.000 1.183 324 A CA 1.556 53.601 52.037 0.014 0.000 0.622 324 A CB -0.158 18.868 19.000 0.043 0.000 0.824 324 A HN 0.500 nan 8.150 nan 0.000 0.444 325 S N 0.157 115.858 115.700 0.000 0.000 2.660 325 S HA 0.060 4.530 4.470 -0.001 0.000 0.228 325 S C 1.424 176.010 174.600 -0.023 0.000 0.966 325 S CA 0.396 58.600 58.200 0.006 0.000 0.940 325 S CB -0.567 62.629 63.200 -0.007 0.000 0.773 325 S HN 0.518 nan 8.310 nan 0.000 0.535 326 I N 1.796 122.336 120.570 -0.051 0.000 2.179 326 I HA -0.224 3.945 4.170 -0.001 0.000 0.242 326 I C 2.620 178.693 176.117 -0.073 0.000 1.088 326 I CA 1.515 62.762 61.300 -0.089 0.000 1.357 326 I CB -0.330 37.606 38.000 -0.108 0.000 1.051 326 I HN 0.363 nan 8.210 nan 0.000 0.409 327 D N 1.432 121.836 120.400 0.007 0.000 2.117 327 D HA -0.201 4.438 4.640 -0.001 0.000 0.198 327 D C 2.029 178.475 176.300 0.242 0.000 0.982 327 D CA 1.415 55.495 54.000 0.133 0.000 0.828 327 D CB 0.129 41.097 40.800 0.281 0.000 0.967 327 D HN 0.332 nan 8.370 nan 0.000 0.464 328 K N -0.212 120.320 120.400 0.220 0.000 2.057 328 K HA -0.113 4.206 4.320 -0.001 0.000 0.207 328 K C 2.410 179.089 176.600 0.130 0.000 1.049 328 K CA 0.867 57.295 56.287 0.235 0.000 0.931 328 K CB -0.006 32.577 32.500 0.137 0.000 0.714 328 K HN 0.132 nan 8.250 nan 0.000 0.440 329 Q N 0.877 120.691 119.800 0.023 0.000 2.172 329 Q HA -0.131 4.209 4.340 -0.001 0.000 0.200 329 Q C 1.685 177.625 176.000 -0.100 0.000 0.964 329 Q CA 1.097 56.877 55.803 -0.038 0.000 0.855 329 Q CB -0.187 28.514 28.738 -0.062 0.000 0.918 329 Q HN 0.330 nan 8.270 nan 0.000 0.444 330 D N -0.056 120.247 120.400 -0.161 0.000 2.144 330 D HA -0.162 4.478 4.640 -0.001 0.000 0.199 330 D C 1.670 177.815 176.300 -0.258 0.000 0.984 330 D CA 0.871 54.678 54.000 -0.321 0.000 0.834 330 D CB 0.211 40.515 40.800 -0.827 0.000 0.955 330 D HN 0.340 nan 8.370 nan 0.000 0.465 331 H N -0.189 118.867 119.070 -0.023 0.000 2.389 331 H HA 0.036 4.591 4.556 -0.001 0.000 0.299 331 H C 1.704 177.033 175.328 0.001 0.000 1.081 331 H CA 1.248 57.399 56.048 0.171 0.000 1.345 331 H CB 0.069 29.957 29.762 0.210 0.000 1.393 331 H HN 0.118 nan 8.280 nan 0.000 0.520 332 A N 0.565 123.412 122.820 0.045 0.000 2.235 332 A HA 0.345 4.665 4.320 -0.001 0.000 0.208 332 A C 1.393 178.832 177.584 -0.240 0.000 1.172 332 A CA 0.737 52.738 52.037 -0.061 0.000 0.786 332 A CB -0.342 18.636 19.000 -0.036 0.000 0.804 332 A HN 0.419 nan 8.150 nan 0.000 0.479 333 A N -0.024 122.479 122.820 -0.529 0.000 2.519 333 A HA -0.172 4.147 4.320 -0.001 0.000 0.297 333 A C 0.134 177.326 177.584 -0.655 0.000 1.472 333 A CA 0.909 52.212 52.037 -1.223 0.000 0.739 333 A CB -2.189 16.314 19.000 -0.829 0.000 1.096 333 A HN 0.628 nan 8.150 nan 0.000 0.414 334 N N -0.040 118.411 118.700 -0.415 0.000 2.762 334 N HA 0.364 5.103 4.740 -0.001 0.000 0.252 334 N C -1.936 173.536 175.510 -0.064 0.000 1.269 334 N CA -1.508 51.445 53.050 -0.162 0.000 0.799 334 N CB 1.141 39.568 38.487 -0.100 0.000 1.173 334 N HN 0.072 nan 8.380 nan 0.000 0.516 335 P HA -0.151 nan 4.420 nan 0.000 0.217 335 P C 1.346 178.633 177.300 -0.021 0.000 1.162 335 P CA 1.324 64.465 63.100 0.067 0.000 0.901 335 P CB 0.387 32.154 31.700 0.112 0.000 0.793 336 c N -1.509 117.090 118.600 -0.003 0.000 2.422 336 c HA -0.018 4.551 4.570 -0.001 0.000 0.279 336 c C 2.908 177.044 174.090 0.076 0.000 1.305 336 c CA 1.551 57.914 56.329 0.057 0.000 1.757 336 c CB -1.966 40.607 42.510 0.104 0.000 1.962 336 c HN 0.342 nan 8.230 nan 0.000 0.499 337 G N -1.092 107.714 108.800 0.009 0.000 2.396 337 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.214 337 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.214 337 G C 1.561 176.382 174.900 -0.132 0.000 1.166 337 G CA 0.661 45.741 45.100 -0.033 0.000 0.793 337 G HN 0.637 nan 8.290 nan 0.000 0.533 338 Q N 0.001 119.734 119.800 -0.112 0.000 2.050 338 Q HA -0.063 4.277 4.340 -0.001 0.000 0.202 338 Q C 2.539 178.418 176.000 -0.202 0.000 0.980 338 Q CA 1.174 56.899 55.803 -0.130 0.000 0.840 338 Q CB -0.215 28.483 28.738 -0.067 0.000 0.898 338 Q HN 0.526 nan 8.270 nan 0.000 0.424 339 I N 0.408 120.844 120.570 -0.223 0.000 2.179 339 I HA -0.185 3.984 4.170 -0.001 0.000 0.242 339 I C 2.425 178.178 176.117 -0.607 0.000 1.088 339 I CA 1.066 62.196 61.300 -0.283 0.000 1.357 339 I CB -0.855 37.013 38.000 -0.221 0.000 1.051 339 I HN 0.384 nan 8.210 nan 0.000 0.409 340 G N 0.793 108.982 108.800 -1.017 0.000 2.469 340 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.219 340 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.219 340 G C 1.520 175.871 174.900 -0.915 0.000 1.150 340 G CA 0.687 44.700 45.100 -1.812 0.000 0.763 340 G HN 0.316 nan 8.290 nan 0.000 0.561 341 E N 0.361 120.244 120.200 -0.529 0.000 2.152 341 E HA -0.051 4.299 4.350 -0.001 0.000 0.192 341 E C 2.745 179.169 176.600 -0.295 0.000 0.983 341 E CA 1.154 57.357 56.400 -0.328 0.000 0.818 341 E CB -0.671 28.899 29.700 -0.217 0.000 0.758 341 E HN 0.383 nan 8.360 nan 0.000 0.467 342 T N 1.017 115.386 114.554 -0.309 0.000 2.812 342 T HA -0.061 4.288 4.350 -0.001 0.000 0.264 342 T C 2.182 176.670 174.700 -0.353 0.000 1.042 342 T CA 0.947 62.870 62.100 -0.294 0.000 1.140 342 T CB -0.187 68.547 68.868 -0.224 0.000 0.870 342 T HN -0.034 nan 8.240 nan 0.000 0.445 343 V N 2.050 121.771 119.914 -0.322 0.000 2.358 343 V HA -0.171 3.948 4.120 -0.001 0.000 0.246 343 V C 2.498 178.470 176.094 -0.202 0.000 1.047 343 V CA 1.904 64.078 62.300 -0.210 0.000 1.035 343 V CB -0.620 31.121 31.823 -0.137 0.000 0.658 343 V HN 0.451 nan 8.190 nan 0.000 0.452 344 D N 0.008 120.260 120.400 -0.247 0.000 2.133 344 D HA -0.202 4.438 4.640 -0.001 0.000 0.195 344 D C 1.953 178.147 176.300 -0.177 0.000 0.997 344 D CA 1.524 55.415 54.000 -0.182 0.000 0.840 344 D CB -0.179 40.504 40.800 -0.194 0.000 0.947 344 D HN 0.313 nan 8.370 nan 0.000 0.452 345 L N 0.530 121.620 121.223 -0.221 0.000 2.056 345 L HA -0.069 4.270 4.340 -0.001 0.000 0.207 345 L C 1.788 178.516 176.870 -0.237 0.000 1.078 345 L CA 2.071 56.780 54.840 -0.217 0.000 0.749 345 L CB -0.995 40.926 42.059 -0.231 0.000 0.901 345 L HN 0.001 nan 8.230 nan 0.000 0.433 346 D N -0.681 119.529 120.400 -0.317 0.000 2.149 346 D HA -0.250 4.390 4.640 -0.001 0.000 0.198 346 D C 1.988 178.181 176.300 -0.178 0.000 0.990 346 D CA 1.613 55.415 54.000 -0.330 0.000 0.839 346 D CB 0.015 40.533 40.800 -0.470 0.000 0.948 346 D HN 0.546 nan 8.370 nan 0.000 0.460 347 E N -0.360 119.762 120.200 -0.130 0.000 2.058 347 E HA -0.196 4.154 4.350 -0.001 0.000 0.194 347 E C 2.144 178.695 176.600 -0.082 0.000 0.997 347 E CA 1.109 57.464 56.400 -0.075 0.000 0.801 347 E CB -0.205 29.463 29.700 -0.052 0.000 0.746 347 E HN 0.398 nan 8.360 nan 0.000 0.450 348 A N 0.669 123.427 122.820 -0.103 0.000 1.902 348 A HA -0.148 4.171 4.320 -0.001 0.000 0.217 348 A C 2.475 180.001 177.584 -0.097 0.000 1.181 348 A CA 1.203 53.181 52.037 -0.099 0.000 0.623 348 A CB -0.678 18.256 19.000 -0.111 0.000 0.818 348 A HN 0.137 nan 8.150 nan 0.000 0.443 349 V N -0.009 119.833 119.914 -0.121 0.000 2.392 349 V HA -0.353 3.767 4.120 -0.001 0.000 0.249 349 V C 2.641 178.684 176.094 -0.085 0.000 1.059 349 V CA 2.338 64.569 62.300 -0.115 0.000 1.051 349 V CB -0.927 30.801 31.823 -0.158 0.000 0.658 349 V HN 0.641 nan 8.190 nan 0.000 0.455 350 Q N -0.680 119.072 119.800 -0.081 0.000 2.050 350 Q HA -0.187 4.153 4.340 -0.001 0.000 0.202 350 Q C 2.606 178.589 176.000 -0.028 0.000 0.980 350 Q CA 1.350 57.121 55.803 -0.053 0.000 0.840 350 Q CB -0.174 28.542 28.738 -0.037 0.000 0.898 350 Q HN 0.506 nan 8.270 nan 0.000 0.424 351 R N 0.175 120.658 120.500 -0.029 0.000 2.091 351 R HA -0.126 4.214 4.340 -0.001 0.000 0.238 351 R C 2.132 178.448 176.300 0.026 0.000 1.136 351 R CA 1.383 57.479 56.100 -0.006 0.000 0.959 351 R CB -1.000 29.282 30.300 -0.031 0.000 0.856 351 R HN 0.283 nan 8.270 nan 0.000 0.437 352 A N 1.266 124.086 122.820 0.001 0.000 1.877 352 A HA -0.140 4.180 4.320 -0.001 0.000 0.216 352 A C 2.213 179.866 177.584 0.115 0.000 1.186 352 A CA 1.163 53.228 52.037 0.046 0.000 0.620 352 A CB -0.449 18.551 19.000 -0.000 0.000 0.822 352 A HN 0.101 nan 8.150 nan 0.000 0.443 353 L N -0.139 121.102 121.223 0.029 0.000 2.046 353 L HA -0.160 4.179 4.340 -0.001 0.000 0.208 353 L C 2.319 179.185 176.870 -0.007 0.000 1.077 353 L CA 2.080 56.900 54.840 -0.034 0.000 0.747 353 L CB -1.288 40.691 42.059 -0.132 0.000 0.896 353 L HN 0.497 nan 8.230 nan 0.000 0.432 354 E N -1.308 118.907 120.200 0.026 0.000 2.086 354 E HA -0.312 4.038 4.350 -0.001 0.000 0.200 354 E C 2.086 178.734 176.600 0.081 0.000 1.012 354 E CA 1.943 58.366 56.400 0.039 0.000 0.812 354 E CB -0.321 29.409 29.700 0.050 0.000 0.743 354 E HN 0.431 nan 8.360 nan 0.000 0.453 355 F N 0.824 120.784 119.950 0.017 0.000 2.146 355 F HA -0.076 4.450 4.527 -0.001 0.000 0.298 355 F C 2.091 177.934 175.800 0.072 0.000 1.096 355 F CA 1.249 59.279 58.000 0.050 0.000 1.275 355 F CB -0.388 38.656 39.000 0.074 0.000 1.008 355 F HN -0.020 nan 8.300 nan 0.000 0.480 356 A N 0.591 123.540 122.820 0.215 0.000 1.917 356 A HA -0.278 4.041 4.320 -0.001 0.000 0.219 356 A C 2.171 179.814 177.584 0.098 0.000 1.182 356 A CA 2.323 54.481 52.037 0.202 0.000 0.633 356 A CB -0.764 18.428 19.000 0.322 0.000 0.819 356 A HN 0.490 nan 8.150 nan 0.000 0.448 357 K N -0.445 119.973 120.400 0.031 0.000 2.057 357 K HA -0.063 4.257 4.320 -0.001 0.000 0.206 357 K C 2.222 178.791 176.600 -0.052 0.000 1.050 357 K CA 1.425 57.728 56.287 0.026 0.000 0.935 357 K CB -0.119 32.361 32.500 -0.033 0.000 0.715 357 K HN 0.453 nan 8.250 nan 0.000 0.439 358 K N 0.996 121.316 120.400 -0.134 0.000 1.985 358 K HA -0.191 4.129 4.320 -0.001 0.000 0.210 358 K C 2.200 178.662 176.600 -0.230 0.000 1.047 358 K CA 1.430 57.619 56.287 -0.164 0.000 0.932 358 K CB 0.009 32.408 32.500 -0.167 0.000 0.716 358 K HN 0.079 nan 8.250 nan 0.000 0.439 359 E N -0.416 119.513 120.200 -0.452 0.000 2.031 359 E HA -0.180 4.169 4.350 -0.001 0.000 0.193 359 E C 1.210 177.685 176.600 -0.208 0.000 0.994 359 E CA 1.809 57.956 56.400 -0.421 0.000 0.800 359 E CB -0.016 29.198 29.700 -0.809 0.000 0.752 359 E HN 0.627 nan 8.360 nan 0.000 0.447 360 G N 0.453 109.155 108.800 -0.163 0.000 2.194 360 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.236 360 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.236 360 G C 0.488 175.345 174.900 -0.072 0.000 0.987 360 G CA 0.380 45.433 45.100 -0.078 0.000 0.635 360 G HN 0.342 nan 8.290 nan 0.000 0.520 361 N N 0.787 119.445 118.700 -0.069 0.000 2.451 361 N HA 0.181 4.920 4.740 -0.001 0.000 0.271 361 N C -0.384 175.105 175.510 -0.034 0.000 1.410 361 N CA 0.179 53.197 53.050 -0.054 0.000 0.884 361 N CB 1.203 39.664 38.487 -0.044 0.000 1.332 361 N HN 0.288 nan 8.380 nan 0.000 0.498 362 T N 1.399 115.949 114.554 -0.006 0.000 2.929 362 T HA 0.476 4.825 4.350 -0.001 0.000 0.284 362 T C -0.416 174.305 174.700 0.036 0.000 1.014 362 T CA -0.405 61.728 62.100 0.056 0.000 1.051 362 T CB 1.950 70.956 68.868 0.230 0.000 1.028 362 T HN 0.055 nan 8.240 nan 0.000 0.485 363 L N 3.498 124.745 121.223 0.041 0.000 2.349 363 L HA 0.738 5.077 4.340 -0.001 0.000 0.278 363 L C -1.219 175.689 176.870 0.064 0.000 0.996 363 L CA -0.560 54.299 54.840 0.032 0.000 0.825 363 L CB 1.224 43.298 42.059 0.025 0.000 1.243 363 L HN 0.417 nan 8.230 nan 0.000 0.412 364 V N 6.202 126.179 119.914 0.105 0.000 2.513 364 V HA 0.602 4.722 4.120 -0.001 0.000 0.299 364 V C 0.003 176.118 176.094 0.035 0.000 1.035 364 V CA -0.440 61.910 62.300 0.084 0.000 0.889 364 V CB 1.654 33.562 31.823 0.142 0.000 0.988 364 V HN 0.689 nan 8.190 nan 0.000 0.440 365 I N 3.800 124.352 120.570 -0.030 0.000 2.569 365 I HA 0.561 4.731 4.170 -0.001 0.000 0.290 365 I C -1.111 174.930 176.117 -0.126 0.000 1.088 365 I CA -0.787 60.470 61.300 -0.071 0.000 1.047 365 I CB 2.444 40.392 38.000 -0.088 0.000 1.237 365 I HN 0.298 nan 8.210 nan 0.000 0.421 366 V N 4.166 123.995 119.914 -0.142 0.000 2.540 366 V HA 0.808 4.928 4.120 -0.001 0.000 0.302 366 V C -0.195 175.765 176.094 -0.222 0.000 1.035 366 V CA -0.315 61.877 62.300 -0.179 0.000 0.873 366 V CB 1.830 33.559 31.823 -0.157 0.000 0.992 366 V HN 0.891 nan 8.190 nan 0.000 0.428 367 T N 2.228 116.626 114.554 -0.259 0.000 2.658 367 T HA 0.758 5.107 4.350 -0.001 0.000 0.305 367 T C -1.551 173.002 174.700 -0.244 0.000 1.551 367 T CA 0.393 62.320 62.100 -0.289 0.000 0.985 367 T CB 1.704 70.304 68.868 -0.445 0.000 1.731 367 T HN 1.245 nan 8.240 nan 0.000 0.486 368 A N 0.509 123.221 122.820 -0.180 0.000 2.430 368 A HA 0.701 5.020 4.320 -0.001 0.000 0.300 368 A C 0.639 178.170 177.584 -0.089 0.000 1.124 368 A CA 0.072 52.007 52.037 -0.170 0.000 0.766 368 A CB 1.180 20.066 19.000 -0.190 0.000 1.328 368 A HN 0.894 nan 8.150 nan 0.000 0.424 369 D N -0.233 120.066 120.400 -0.168 0.000 2.123 369 D HA 0.059 4.698 4.640 -0.001 0.000 0.200 369 D C 0.600 176.724 176.300 -0.293 0.000 0.976 369 D CA 2.230 56.227 54.000 -0.005 0.000 0.831 369 D CB -0.428 40.472 40.800 0.167 0.000 0.974 369 D HN 0.811 nan 8.370 nan 0.000 0.469 370 H N -2.239 116.619 119.070 -0.354 0.000 2.928 370 H HA 0.766 5.322 4.556 -0.001 0.000 0.285 370 H C -1.165 173.986 175.328 -0.295 0.000 1.438 370 H CA -0.988 54.629 56.048 -0.719 0.000 1.176 370 H CB 0.801 30.263 29.762 -0.501 0.000 1.864 370 H HN 0.107 nan 8.280 nan 0.000 0.567 371 A N 0.052 122.902 122.820 0.049 0.000 2.264 371 A HA 0.485 4.805 4.320 -0.001 0.000 0.304 371 A C -0.483 177.240 177.584 0.232 0.000 1.100 371 A CA -0.231 51.895 52.037 0.148 0.000 0.839 371 A CB 0.476 19.610 19.000 0.224 0.000 1.121 371 A HN 0.781 nan 8.150 nan 0.000 0.496 372 H N -1.090 118.037 119.070 0.096 0.000 3.889 372 H HA 0.675 5.230 4.556 -0.001 0.000 0.351 372 H C 1.161 176.546 175.328 0.094 0.000 1.657 372 H CA 0.317 56.429 56.048 0.108 0.000 1.319 372 H CB 1.588 31.372 29.762 0.037 0.000 1.314 372 H HN 0.579 nan 8.280 nan 0.000 0.771 373 A N 0.158 123.275 122.820 0.495 0.000 1.924 373 A HA 0.070 4.389 4.320 -0.001 0.000 0.211 373 A C 0.802 178.402 177.584 0.027 0.000 1.198 373 A CA 0.757 52.953 52.037 0.265 0.000 0.657 373 A CB -0.720 18.500 19.000 0.367 0.000 0.852 373 A HN 0.571 nan 8.150 nan 0.000 0.454 374 S N 0.329 115.968 115.700 -0.101 0.000 2.558 374 S HA 0.303 4.773 4.470 -0.001 0.000 0.291 374 S C -0.325 174.140 174.600 -0.225 0.000 1.306 374 S CA -0.063 57.887 58.200 -0.417 0.000 1.056 374 S CB 0.335 63.303 63.200 -0.387 0.000 0.836 374 S HN 0.502 nan 8.310 nan 0.000 0.504 375 Q N 1.269 120.905 119.800 -0.273 0.000 2.305 375 Q HA 0.452 4.791 4.340 -0.001 0.000 0.271 375 Q C -1.117 174.818 176.000 -0.108 0.000 1.046 375 Q CA -0.533 55.191 55.803 -0.131 0.000 0.798 375 Q CB 2.125 30.811 28.738 -0.085 0.000 1.286 375 Q HN 0.747 nan 8.270 nan 0.000 0.435 376 I N 3.232 123.770 120.570 -0.052 0.000 2.363 376 I HA 0.145 4.315 4.170 -0.001 0.000 0.292 376 I C 0.309 176.416 176.117 -0.016 0.000 1.075 376 I CA -0.355 60.930 61.300 -0.024 0.000 1.333 376 I CB 0.108 38.107 38.000 -0.001 0.000 1.415 376 I HN 0.302 nan 8.210 nan 0.000 0.502 377 V N 3.192 123.099 119.914 -0.013 0.000 3.284 377 V HA 0.844 4.963 4.120 -0.001 0.000 0.309 377 V C 0.406 176.501 176.094 0.003 0.000 1.190 377 V CA -1.182 61.115 62.300 -0.005 0.000 1.038 377 V CB 1.359 33.178 31.823 -0.006 0.000 1.198 377 V HN 0.686 nan 8.190 nan 0.000 0.465 378 A N 0.171 122.992 122.820 0.002 0.000 2.388 378 A HA 0.601 4.921 4.320 -0.001 0.000 0.257 378 A C -1.335 176.249 177.584 0.001 0.000 1.095 378 A CA -1.177 50.861 52.037 0.002 0.000 0.791 378 A CB -0.004 18.995 19.000 -0.001 0.000 1.029 378 A HN 0.787 nan 8.150 nan 0.000 0.489 379 P HA -0.206 nan 4.420 nan 0.000 0.218 379 P C 0.519 177.813 177.300 -0.010 0.000 1.152 379 P CA 1.916 65.016 63.100 0.000 0.000 0.857 379 P CB 0.107 31.807 31.700 -0.000 0.000 0.787 380 D N -2.906 117.484 120.400 -0.017 0.000 2.427 380 D HA 0.011 4.651 4.640 -0.001 0.000 0.224 380 D C -0.303 175.976 176.300 -0.036 0.000 1.157 380 D CA 0.070 54.052 54.000 -0.031 0.000 0.828 380 D CB -0.889 39.895 40.800 -0.028 0.000 0.974 380 D HN 0.004 nan 8.370 nan 0.000 0.498 381 T N 1.264 115.804 114.554 -0.024 0.000 2.853 381 T HA 0.024 4.374 4.350 -0.001 0.000 0.298 381 T C 0.252 174.932 174.700 -0.034 0.000 0.978 381 T CA -0.008 62.082 62.100 -0.016 0.000 1.152 381 T CB 1.370 70.238 68.868 0.001 0.000 0.914 381 T HN 0.044 nan 8.240 nan 0.000 0.539 382 K N 2.809 123.187 120.400 -0.037 0.000 2.356 382 K HA 0.528 4.847 4.320 -0.001 0.000 0.243 382 K C -0.293 176.334 176.600 0.045 0.000 1.072 382 K CA -0.456 55.788 56.287 -0.072 0.000 1.014 382 K CB 0.291 32.731 32.500 -0.101 0.000 1.523 382 K HN 0.717 nan 8.250 nan 0.000 0.455 383 A N 3.501 126.378 122.820 0.094 0.000 2.279 383 A HA 0.459 4.778 4.320 -0.001 0.000 0.303 383 A C -1.625 176.088 177.584 0.214 0.000 1.108 383 A CA -1.218 50.900 52.037 0.135 0.000 0.830 383 A CB 0.401 19.464 19.000 0.105 0.000 1.106 383 A HN 0.557 nan 8.150 nan 0.000 0.493 384 P HA 0.057 nan 4.420 nan 0.000 0.224 384 P C 0.931 178.388 177.300 0.261 0.000 1.157 384 P CA 1.343 64.593 63.100 0.249 0.000 0.799 384 P CB 0.247 32.032 31.700 0.143 0.000 0.809 385 G N 0.431 109.358 108.800 0.211 0.000 2.773 385 G HA2 0.487 4.446 3.960 -0.001 0.000 0.186 385 G HA3 0.487 4.446 3.960 -0.001 0.000 0.186 385 G C -0.522 174.525 174.900 0.245 0.000 1.411 385 G CA -0.683 44.539 45.100 0.203 0.000 1.054 385 G HN 0.043 nan 8.290 nan 0.000 0.579 386 L N 1.545 122.905 121.223 0.228 0.000 2.281 386 L HA 0.412 4.751 4.340 -0.001 0.000 0.285 386 L C 0.677 177.701 176.870 0.256 0.000 1.074 386 L CA -0.514 54.468 54.840 0.235 0.000 0.817 386 L CB 0.845 43.038 42.059 0.224 0.000 1.168 386 L HN 0.662 nan 8.230 nan 0.000 0.434 387 T N 0.708 115.377 114.554 0.192 0.000 2.910 387 T HA 0.670 5.020 4.350 -0.001 0.000 0.287 387 T C -0.738 174.050 174.700 0.146 0.000 1.050 387 T CA -0.842 61.352 62.100 0.157 0.000 1.011 387 T CB 2.590 71.516 68.868 0.097 0.000 1.195 387 T HN 0.610 nan 8.240 nan 0.000 0.540 388 Q N -0.435 119.438 119.800 0.121 0.000 2.593 388 Q HA 0.518 4.858 4.340 -0.001 0.000 0.242 388 Q C -2.058 173.996 176.000 0.090 0.000 0.944 388 Q CA -0.727 55.139 55.803 0.105 0.000 1.041 388 Q CB 1.407 30.221 28.738 0.127 0.000 1.588 388 Q HN 1.216 nan 8.270 nan 0.000 0.464 389 A N 3.540 126.404 122.820 0.073 0.000 2.301 389 A HA 0.811 5.130 4.320 -0.001 0.000 0.312 389 A C -1.278 176.361 177.584 0.092 0.000 1.182 389 A CA -0.305 51.774 52.037 0.071 0.000 0.826 389 A CB 0.568 19.597 19.000 0.049 0.000 1.134 389 A HN 0.512 nan 8.150 nan 0.000 0.501 390 L N 1.487 122.782 121.223 0.120 0.000 2.354 390 L HA 0.377 4.717 4.340 -0.001 0.000 0.264 390 L C -0.045 176.921 176.870 0.159 0.000 1.008 390 L CA -0.326 54.622 54.840 0.179 0.000 0.819 390 L CB 2.030 44.259 42.059 0.283 0.000 1.339 390 L HN 0.752 nan 8.230 nan 0.000 0.420 391 N N 0.235 119.024 118.700 0.148 0.000 2.408 391 N HA 0.382 5.122 4.740 -0.001 0.000 0.257 391 N C -0.336 175.133 175.510 -0.069 0.000 1.064 391 N CA -0.325 52.749 53.050 0.040 0.000 0.952 391 N CB 0.919 39.414 38.487 0.014 0.000 1.093 391 N HN 0.755 nan 8.380 nan 0.000 0.490 392 T N -0.867 113.621 114.554 -0.111 0.000 2.862 392 T HA 0.194 4.544 4.350 -0.001 0.000 0.276 392 T C 1.263 175.800 174.700 -0.273 0.000 0.974 392 T CA -0.654 61.281 62.100 -0.276 0.000 0.966 392 T CB 1.389 70.193 68.868 -0.106 0.000 1.072 392 T HN 0.327 nan 8.240 nan 0.000 0.538 393 K N 0.188 120.403 120.400 -0.307 0.000 2.218 393 K HA -0.151 4.169 4.320 -0.001 0.000 0.205 393 K C 1.333 177.858 176.600 -0.124 0.000 1.046 393 K CA 1.851 58.016 56.287 -0.203 0.000 0.933 393 K CB -0.542 31.862 32.500 -0.160 0.000 0.728 393 K HN 0.617 nan 8.250 nan 0.000 0.454 394 D N -0.944 119.394 120.400 -0.103 0.000 2.355 394 D HA 0.057 4.697 4.640 -0.001 0.000 0.218 394 D C 0.921 177.186 176.300 -0.058 0.000 1.004 394 D CA 1.087 55.047 54.000 -0.067 0.000 0.880 394 D CB 0.283 41.053 40.800 -0.049 0.000 0.911 394 D HN 0.459 nan 8.370 nan 0.000 0.528 395 G N 0.424 109.181 108.800 -0.071 0.000 2.136 395 G HA2 -0.142 3.817 3.960 -0.001 0.000 0.242 395 G HA3 -0.142 3.817 3.960 -0.001 0.000 0.242 395 G C 0.334 175.211 174.900 -0.038 0.000 0.989 395 G CA 0.257 45.324 45.100 -0.054 0.000 0.682 395 G HN 0.639 nan 8.290 nan 0.000 0.522 396 A N -0.847 121.951 122.820 -0.037 0.000 2.354 396 A HA 0.886 5.206 4.320 -0.001 0.000 0.321 396 A C 0.196 177.778 177.584 -0.004 0.000 1.125 396 A CA -0.268 51.758 52.037 -0.017 0.000 0.799 396 A CB 1.928 20.919 19.000 -0.014 0.000 1.293 396 A HN 1.109 nan 8.150 nan 0.000 0.452 397 V N 2.053 121.972 119.914 0.008 0.000 2.583 397 V HA 0.379 4.498 4.120 -0.001 0.000 0.287 397 V C 0.233 176.348 176.094 0.035 0.000 1.051 397 V CA 0.124 62.440 62.300 0.026 0.000 1.010 397 V CB 1.133 32.970 31.823 0.023 0.000 0.988 397 V HN 0.885 nan 8.190 nan 0.000 0.478 398 M N 5.664 125.301 119.600 0.061 0.000 2.197 398 M HA 0.547 5.027 4.480 -0.001 0.000 0.301 398 M C -1.526 174.815 176.300 0.069 0.000 0.987 398 M CA -0.473 54.867 55.300 0.065 0.000 0.921 398 M CB 1.687 34.344 32.600 0.095 0.000 1.569 398 M HN 0.420 nan 8.290 nan 0.000 0.431 399 V N 6.288 126.229 119.914 0.045 0.000 2.439 399 V HA 0.468 4.587 4.120 -0.001 0.000 0.282 399 V C 0.051 176.159 176.094 0.024 0.000 1.039 399 V CA -0.309 62.016 62.300 0.040 0.000 0.913 399 V CB 1.553 33.391 31.823 0.026 0.000 0.983 399 V HN 0.908 nan 8.190 nan 0.000 0.460 400 M N 3.601 123.219 119.600 0.030 0.000 2.436 400 M HA 0.500 4.979 4.480 -0.001 0.000 0.331 400 M C -0.296 175.962 176.300 -0.071 0.000 1.135 400 M CA -0.190 55.089 55.300 -0.034 0.000 0.987 400 M CB 2.095 34.692 32.600 -0.005 0.000 1.687 400 M HN 0.641 nan 8.290 nan 0.000 0.445 401 S N 1.984 117.544 115.700 -0.232 0.000 2.500 401 S HA 0.685 5.154 4.470 -0.001 0.000 0.301 401 S C -1.828 172.488 174.600 -0.472 0.000 1.092 401 S CA -0.476 57.604 58.200 -0.200 0.000 1.030 401 S CB 0.860 64.020 63.200 -0.067 0.000 1.031 401 S HN 0.539 nan 8.310 nan 0.000 0.483 402 Y N 2.103 122.439 120.300 0.061 0.000 2.426 402 Y HA 0.583 5.133 4.550 -0.001 0.000 0.325 402 Y C 0.839 176.786 175.900 0.077 0.000 0.989 402 Y CA -0.640 57.500 58.100 0.067 0.000 1.284 402 Y CB 2.018 40.514 38.460 0.060 0.000 1.104 402 Y HN 0.880 nan 8.280 nan 0.000 0.481 403 G N 2.432 111.328 108.800 0.161 0.000 4.973 403 G HA2 0.024 3.983 3.960 -0.001 0.000 0.211 403 G HA3 0.024 3.983 3.960 -0.001 0.000 0.211 403 G C -0.413 174.550 174.900 0.104 0.000 0.784 403 G CA -0.671 44.508 45.100 0.132 0.000 0.657 403 G HN 0.533 nan 8.290 nan 0.000 0.480 404 N N -0.784 117.987 118.700 0.117 0.000 2.365 404 N HA 0.305 5.045 4.740 -0.001 0.000 0.257 404 N C -0.423 175.142 175.510 0.093 0.000 1.287 404 N CA -0.362 52.746 53.050 0.097 0.000 0.882 404 N CB 1.129 39.678 38.487 0.103 0.000 1.250 404 N HN 0.131 nan 8.380 nan 0.000 0.507 405 S N -0.450 115.306 115.700 0.092 0.000 2.596 405 S HA 0.175 4.644 4.470 -0.001 0.000 0.305 405 S C -0.397 174.240 174.600 0.063 0.000 1.086 405 S CA -0.503 57.742 58.200 0.075 0.000 0.909 405 S CB 0.674 63.928 63.200 0.090 0.000 1.106 405 S HN 0.193 nan 8.310 nan 0.000 0.450 406 E N 1.437 121.660 120.200 0.038 0.000 2.318 406 E HA 0.068 4.417 4.350 -0.001 0.000 0.193 406 E C 0.015 176.625 176.600 0.017 0.000 0.998 406 E CA 0.077 56.489 56.400 0.019 0.000 0.859 406 E CB 0.158 29.859 29.700 0.002 0.000 0.812 406 E HN 0.541 nan 8.360 nan 0.000 0.492 407 E N 1.842 122.056 120.200 0.023 0.000 2.436 407 E HA -0.102 4.248 4.350 -0.001 0.000 0.262 407 E C 0.551 177.167 176.600 0.026 0.000 1.063 407 E CA 0.178 56.589 56.400 0.018 0.000 0.944 407 E CB 0.433 30.145 29.700 0.021 0.000 0.950 407 E HN 0.149 nan 8.360 nan 0.000 0.444 408 D N 0.689 121.099 120.400 0.016 0.000 2.371 408 D HA -0.104 4.536 4.640 -0.001 0.000 0.234 408 D C -0.230 176.092 176.300 0.037 0.000 1.049 408 D CA 0.229 54.240 54.000 0.019 0.000 0.907 408 D CB 0.223 41.026 40.800 0.005 0.000 0.891 408 D HN 0.052 nan 8.370 nan 0.000 0.531 409 S N 0.485 116.220 115.700 0.059 0.000 2.596 409 S HA 0.136 4.605 4.470 -0.001 0.000 0.318 409 S C -0.398 174.317 174.600 0.192 0.000 1.097 409 S CA -0.756 57.513 58.200 0.116 0.000 1.080 409 S CB 1.211 64.453 63.200 0.070 0.000 0.991 409 S HN 0.006 nan 8.310 nan 0.000 0.471 410 Q N 3.231 123.175 119.800 0.239 0.000 2.311 410 Q HA 0.187 4.526 4.340 -0.001 0.000 0.272 410 Q C 0.266 176.465 176.000 0.331 0.000 1.012 410 Q CA 0.530 56.495 55.803 0.270 0.000 0.891 410 Q CB 0.494 29.407 28.738 0.290 0.000 1.201 410 Q HN 0.688 nan 8.270 nan 0.000 0.391 411 E N 1.440 121.766 120.200 0.210 0.000 2.349 411 E HA 0.151 4.501 4.350 -0.001 0.000 0.262 411 E C -0.279 176.317 176.600 -0.007 0.000 1.088 411 E CA -0.407 56.042 56.400 0.082 0.000 0.899 411 E CB 0.717 30.447 29.700 0.050 0.000 1.044 411 E HN 0.496 nan 8.360 nan 0.000 0.420 412 H N -0.190 118.716 119.070 -0.273 0.000 2.660 412 H HA 0.155 4.711 4.556 -0.001 0.000 0.374 412 H C 0.219 175.508 175.328 -0.065 0.000 1.291 412 H CA -0.237 55.595 56.048 -0.360 0.000 1.437 412 H CB 0.901 30.397 29.762 -0.443 0.000 1.509 412 H HN 0.454 nan 8.280 nan 0.000 0.614 413 T N -2.146 112.520 114.554 0.187 0.000 2.906 413 T HA 0.351 4.701 4.350 -0.001 0.000 0.295 413 T C 0.992 175.842 174.700 0.250 0.000 1.075 413 T CA -0.587 61.623 62.100 0.183 0.000 1.005 413 T CB 1.641 70.605 68.868 0.160 0.000 1.136 413 T HN 0.634 nan 8.240 nan 0.000 0.498 414 G N 0.327 109.262 108.800 0.225 0.000 2.985 414 G HA2 0.206 4.166 3.960 -0.001 0.000 0.209 414 G HA3 0.206 4.166 3.960 -0.001 0.000 0.209 414 G C 0.638 175.660 174.900 0.202 0.000 1.165 414 G CA 0.061 45.320 45.100 0.265 0.000 0.776 414 G HN 0.914 nan 8.290 nan 0.000 0.541 415 S N 0.610 116.429 115.700 0.199 0.000 2.558 415 S HA 0.103 4.572 4.470 -0.001 0.000 0.291 415 S C 0.893 175.618 174.600 0.209 0.000 1.306 415 S CA -0.341 57.954 58.200 0.158 0.000 1.056 415 S CB 0.300 63.587 63.200 0.145 0.000 0.836 415 S HN 0.620 nan 8.310 nan 0.000 0.504 416 Q N 3.090 122.965 119.800 0.125 0.000 2.373 416 Q HA 0.483 4.823 4.340 -0.001 0.000 0.255 416 Q C -0.443 175.698 176.000 0.235 0.000 0.980 416 Q CA -0.544 55.354 55.803 0.159 0.000 0.882 416 Q CB 0.382 29.188 28.738 0.113 0.000 1.249 416 Q HN 0.571 nan 8.270 nan 0.000 0.438 417 L N -1.607 119.811 121.223 0.326 0.000 2.359 417 L HA 0.636 4.976 4.340 -0.001 0.000 0.256 417 L C -0.306 176.636 176.870 0.119 0.000 1.026 417 L CA -1.424 53.546 54.840 0.218 0.000 0.828 417 L CB 1.562 43.747 42.059 0.211 0.000 1.406 417 L HN 0.713 nan 8.230 nan 0.000 0.413 418 R N 0.881 121.390 120.500 0.015 0.000 2.756 418 R HA 0.516 4.856 4.340 -0.001 0.000 0.264 418 R C -0.999 175.164 176.300 -0.227 0.000 1.026 418 R CA 0.151 56.210 56.100 -0.069 0.000 1.121 418 R CB 0.376 30.647 30.300 -0.048 0.000 0.999 418 R HN 0.887 nan 8.270 nan 0.000 0.449 419 I N 2.742 123.170 120.570 -0.236 0.000 2.590 419 I HA 0.367 4.537 4.170 -0.001 0.000 0.283 419 I C -1.518 174.500 176.117 -0.165 0.000 1.154 419 I CA -0.282 60.824 61.300 -0.324 0.000 1.067 419 I CB 1.445 39.115 38.000 -0.549 0.000 1.243 419 I HN 0.776 nan 8.210 nan 0.000 0.451 420 A N 5.574 128.318 122.820 -0.128 0.000 2.320 420 A HA 1.004 5.324 4.320 -0.001 0.000 0.334 420 A C -0.704 176.855 177.584 -0.042 0.000 1.147 420 A CA -0.077 51.924 52.037 -0.059 0.000 0.820 420 A CB 1.600 20.578 19.000 -0.036 0.000 1.218 420 A HN 1.024 nan 8.150 nan 0.000 0.482 421 A N 0.122 122.946 122.820 0.007 0.000 2.556 421 A HA 0.761 5.080 4.320 -0.001 0.000 0.294 421 A C -1.587 176.066 177.584 0.114 0.000 1.091 421 A CA -0.403 51.656 52.037 0.037 0.000 0.704 421 A CB 1.214 20.221 19.000 0.010 0.000 1.300 421 A HN 1.837 nan 8.150 nan 0.000 0.406 422 Y N 0.264 120.558 120.300 -0.009 0.000 2.441 422 Y HA 0.592 5.142 4.550 -0.001 0.000 0.334 422 Y C 0.178 176.080 175.900 0.004 0.000 1.061 422 Y CA 0.582 58.682 58.100 -0.001 0.000 1.032 422 Y CB 1.567 40.029 38.460 0.003 0.000 1.266 422 Y HN 2.321 nan 8.280 nan 0.000 0.441 423 G N 4.312 112.572 108.800 -0.900 0.000 2.409 423 G HA2 -0.075 3.884 3.960 -0.001 0.000 0.421 423 G HA3 -0.075 3.884 3.960 -0.001 0.000 0.421 423 G C -3.176 171.538 174.900 -0.310 0.000 1.259 423 G CA -1.056 43.656 45.100 -0.647 0.000 1.011 423 G HN 0.548 nan 8.290 nan 0.000 0.497 424 P HA 0.244 nan 4.420 nan 0.000 0.262 424 P C 0.250 177.513 177.300 -0.062 0.000 1.182 424 P CA 0.946 63.956 63.100 -0.150 0.000 0.761 424 P CB -0.018 31.668 31.700 -0.024 0.000 0.795 425 H N 0.770 119.798 119.070 -0.070 0.000 2.958 425 H HA -0.222 4.334 4.556 -0.001 0.000 0.274 425 H C 1.109 176.412 175.328 -0.042 0.000 1.184 425 H CA 0.854 56.876 56.048 -0.045 0.000 1.143 425 H CB -1.715 28.027 29.762 -0.034 0.000 1.297 425 H HN 0.566 nan 8.280 nan 0.000 0.356 426 A N 0.353 123.164 122.820 -0.015 0.000 2.167 426 A HA 0.316 4.636 4.320 -0.001 0.000 0.214 426 A C 2.466 180.052 177.584 0.004 0.000 1.151 426 A CA 1.209 53.240 52.037 -0.009 0.000 0.735 426 A CB -0.242 18.726 19.000 -0.053 0.000 0.802 426 A HN 0.532 nan 8.150 nan 0.000 0.467 427 A N 1.087 123.904 122.820 -0.005 0.000 1.940 427 A HA -0.190 4.129 4.320 -0.001 0.000 0.219 427 A C 1.595 179.198 177.584 0.031 0.000 1.176 427 A CA 1.443 53.483 52.037 0.006 0.000 0.631 427 A CB -0.623 18.372 19.000 -0.008 0.000 0.814 427 A HN 0.577 nan 8.150 nan 0.000 0.446 428 N N 0.394 119.125 118.700 0.053 0.000 2.680 428 N HA -0.071 4.668 4.740 -0.001 0.000 0.197 428 N C 1.216 176.767 175.510 0.068 0.000 1.288 428 N CA 1.346 54.437 53.050 0.069 0.000 0.924 428 N CB 0.114 38.656 38.487 0.092 0.000 1.025 428 N HN 0.614 nan 8.380 nan 0.000 0.447 429 V N -3.633 116.309 119.914 0.047 0.000 3.645 429 V HA 0.208 4.328 4.120 -0.001 0.000 0.275 429 V C 0.889 177.003 176.094 0.034 0.000 1.356 429 V CA -0.148 62.174 62.300 0.037 0.000 1.051 429 V CB -0.030 31.792 31.823 -0.002 0.000 0.828 429 V HN -0.216 nan 8.190 nan 0.000 0.441 430 V N 2.611 122.546 119.914 0.035 0.000 2.811 430 V HA 0.693 4.813 4.120 -0.001 0.000 0.302 430 V C 1.336 177.457 176.094 0.044 0.000 1.063 430 V CA 0.966 63.286 62.300 0.033 0.000 1.088 430 V CB -0.099 31.740 31.823 0.027 0.000 0.982 430 V HN 1.056 nan 8.190 nan 0.000 0.485 431 G N 3.025 111.851 108.800 0.044 0.000 2.642 431 G HA2 -0.137 3.822 3.960 -0.001 0.000 0.231 431 G HA3 -0.137 3.822 3.960 -0.001 0.000 0.231 431 G C -0.822 174.119 174.900 0.069 0.000 1.338 431 G CA 0.026 45.156 45.100 0.051 0.000 0.883 431 G HN 1.188 nan 8.290 nan 0.000 0.570 432 L N 1.645 122.913 121.223 0.075 0.000 2.276 432 L HA 0.746 5.086 4.340 -0.001 0.000 0.286 432 L C 1.065 178.002 176.870 0.113 0.000 1.061 432 L CA 0.988 55.887 54.840 0.099 0.000 0.807 432 L CB 1.087 43.199 42.059 0.087 0.000 1.177 432 L HN 1.494 nan 8.230 nan 0.000 0.429 433 T N 0.535 115.182 114.554 0.156 0.000 2.831 433 T HA 0.514 4.864 4.350 -0.001 0.000 0.287 433 T C -1.042 173.772 174.700 0.190 0.000 1.070 433 T CA -0.902 61.298 62.100 0.166 0.000 1.010 433 T CB 1.645 70.623 68.868 0.183 0.000 1.264 433 T HN 0.608 nan 8.240 nan 0.000 0.532 434 D N -0.457 120.034 120.400 0.151 0.000 2.481 434 D HA 0.188 4.827 4.640 -0.001 0.000 0.244 434 D C 0.692 177.021 176.300 0.048 0.000 1.057 434 D CA -0.507 53.519 54.000 0.044 0.000 0.848 434 D CB 2.599 43.408 40.800 0.015 0.000 1.388 434 D HN 0.765 nan 8.370 nan 0.000 0.475 435 Q N 1.260 120.939 119.800 -0.201 0.000 2.458 435 Q HA -0.183 4.157 4.340 -0.001 0.000 0.215 435 Q C 1.356 177.443 176.000 0.145 0.000 0.989 435 Q CA 2.053 57.772 55.803 -0.141 0.000 0.895 435 Q CB 0.088 28.603 28.738 -0.373 0.000 0.934 435 Q HN 0.604 nan 8.270 nan 0.000 0.475 436 T N -3.809 110.816 114.554 0.119 0.000 3.057 436 T HA -0.004 4.346 4.350 -0.001 0.000 0.254 436 T C 1.157 176.115 174.700 0.429 0.000 1.094 436 T CA 0.567 62.810 62.100 0.238 0.000 1.088 436 T CB 0.073 69.038 68.868 0.163 0.000 0.934 436 T HN 0.200 nan 8.240 nan 0.000 0.497 437 D N 1.293 121.894 120.400 0.334 0.000 2.144 437 D HA -0.031 4.608 4.640 -0.001 0.000 0.200 437 D C 2.021 178.509 176.300 0.313 0.000 0.978 437 D CA 0.737 54.943 54.000 0.345 0.000 0.833 437 D CB -0.150 40.784 40.800 0.223 0.000 0.961 437 D HN 0.251 nan 8.370 nan 0.000 0.470 438 L N 0.892 122.301 121.223 0.310 0.000 2.089 438 L HA -0.209 4.131 4.340 -0.001 0.000 0.213 438 L C 2.052 179.054 176.870 0.220 0.000 1.079 438 L CA 1.418 56.419 54.840 0.268 0.000 0.758 438 L CB -0.864 41.406 42.059 0.353 0.000 0.891 438 L HN -0.036 nan 8.230 nan 0.000 0.433 439 F N -0.930 119.106 119.950 0.144 0.000 2.146 439 F HA -0.239 4.287 4.527 -0.001 0.000 0.298 439 F C 2.020 177.702 175.800 -0.196 0.000 1.096 439 F CA 1.612 59.591 58.000 -0.035 0.000 1.275 439 F CB -0.656 38.231 39.000 -0.188 0.000 1.008 439 F HN 0.152 nan 8.300 nan 0.000 0.480 440 Y N 0.158 120.340 120.300 -0.197 0.000 2.373 440 Y HA -0.124 4.426 4.550 -0.001 0.000 0.293 440 Y C 2.640 178.398 175.900 -0.236 0.000 1.129 440 Y CA 1.668 59.597 58.100 -0.285 0.000 1.226 440 Y CB -1.170 37.279 38.460 -0.018 0.000 1.000 440 Y HN 0.004 nan 8.280 nan 0.000 0.549 441 T N 0.047 114.578 114.554 -0.039 0.000 2.867 441 T HA -0.151 4.198 4.350 -0.001 0.000 0.268 441 T C 1.853 176.473 174.700 -0.135 0.000 1.057 441 T CA 1.445 63.521 62.100 -0.040 0.000 1.136 441 T CB -0.214 68.681 68.868 0.046 0.000 0.874 441 T HN 0.304 nan 8.240 nan 0.000 0.466 442 M N 0.644 120.144 119.600 -0.167 0.000 2.123 442 M HA 0.024 4.504 4.480 -0.001 0.000 0.263 442 M C 2.423 178.582 176.300 -0.236 0.000 1.069 442 M CA 1.386 56.601 55.300 -0.142 0.000 1.133 442 M CB -0.446 32.124 32.600 -0.050 0.000 1.356 442 M HN 0.054 nan 8.290 nan 0.000 0.415 443 K N 1.005 121.154 120.400 -0.418 0.000 2.032 443 K HA -0.159 4.161 4.320 -0.001 0.000 0.209 443 K C 1.972 178.422 176.600 -0.249 0.000 1.048 443 K CA 1.790 57.841 56.287 -0.393 0.000 0.927 443 K CB -0.105 32.012 32.500 -0.638 0.000 0.712 443 K HN 0.299 nan 8.250 nan 0.000 0.441 444 A N 0.392 123.063 122.820 -0.248 0.000 2.016 444 A HA 0.066 4.386 4.320 -0.001 0.000 0.217 444 A C 2.169 179.519 177.584 -0.391 0.000 1.162 444 A CA 1.350 53.246 52.037 -0.235 0.000 0.662 444 A CB -0.441 18.452 19.000 -0.179 0.000 0.812 444 A HN 0.464 nan 8.150 nan 0.000 0.450 445 A N -0.094 122.426 122.820 -0.501 0.000 1.873 445 A HA 0.045 4.364 4.320 -0.001 0.000 0.215 445 A C 1.938 179.392 177.584 -0.216 0.000 1.186 445 A CA 1.263 52.939 52.037 -0.601 0.000 0.616 445 A CB -0.531 18.285 19.000 -0.306 0.000 0.823 445 A HN 0.423 nan 8.150 nan 0.000 0.442 446 L N -0.523 120.610 121.223 -0.150 0.000 2.610 446 L HA 0.080 4.419 4.340 -0.001 0.000 0.232 446 L C 1.536 178.365 176.870 -0.069 0.000 1.149 446 L CA 0.480 55.274 54.840 -0.075 0.000 0.872 446 L CB -0.624 41.407 42.059 -0.045 0.000 0.992 446 L HN 0.630 nan 8.230 nan 0.000 0.447 447 G N 1.120 109.862 108.800 -0.096 0.000 2.273 447 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.280 447 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.280 447 G C 0.086 174.957 174.900 -0.048 0.000 1.047 447 G CA 0.031 45.094 45.100 -0.062 0.000 0.869 447 G HN 0.274 nan 8.290 nan 0.000 0.502 448 L N -0.838 120.344 121.223 -0.068 0.000 2.379 448 L HA 0.663 5.002 4.340 -0.001 0.000 0.269 448 L C 0.731 177.582 176.870 -0.032 0.000 1.084 448 L CA -0.968 53.843 54.840 -0.048 0.000 0.802 448 L CB 1.314 43.333 42.059 -0.066 0.000 1.175 448 L HN 0.084 nan 8.230 nan 0.000 0.448 449 K N 0.000 120.397 120.400 -0.005 0.000 2.780 449 K HA 0.000 4.320 4.320 -0.001 0.000 0.191 449 K CA 0.000 56.298 56.287 0.018 0.000 0.838 449 K CB 0.000 32.511 32.500 0.019 0.000 1.064 449 K HN 0.000 nan 8.250 nan 0.000 0.543