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 1wmr_1_A DATA FIRST_RESID 16 DATA SEQUENCE REFMAVTANN SQLLTWWHNT GEINTQTPVA DGNVRQSGLY SVKVQTTPAS DATA SEQUENCE SSLYYDSFVY LAIPGNGMSD QLQYTQGYNQ TQAWTSFLYS HDATVKISRN DATA SEQUENCE GSSANSNVVI RPTSLNFPVR YDNQSVYITV PYSPTGYRFS VEFDDDLISL DATA SEQUENCE APSGARQPEN ALLIFASPFE NSSTKPQPGS PNSIAPAPGR VLGLNTTSAS DATA SEQUENCE TVVFNPGVYY FTGHDHMVLS SSVTWVYFAP GAYVKGAVEF LSTASEVKAS DATA SEQUENCE GHGVLSGEQY VWYADPDEGY QKASGANNNG LRMWRGTLGN SSQTFVLNGV DATA SEQUENCE TVSAPPFNSM DWSGNSLDLI TCRVDDYKQV GAFYGQTDGL EMYPGTILQD DATA SEQUENCE VFYHTDDDGL KMYYSNVTAR NIVMWKESVA PVVEFGWTPR NTENVLFDNV DATA SEQUENCE DVIHQAYANA GNNPGIFGAV NNYLYAPDGL SSNHSTGNSN MTVRNITWSN DATA SEQUENCE FRAEGSSSAL FRINPIQNLD NISIKNVSIE SFEPLSINTT ESWMPVWYDL DATA SEQUENCE NNGKQITVTD FSIEGFTVGN TTITASNAAS VGRIDGVDPA YAGSVHYID VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 16 R HA 0.000 nan 4.340 nan 0.000 0.208 16 R C 0.000 176.142 176.300 -0.264 0.000 0.893 16 R CA 0.000 56.007 56.100 -0.156 0.000 0.921 16 R CB 0.000 30.243 30.300 -0.095 0.000 0.687 17 E N 1.119 121.199 120.200 -0.201 0.000 2.360 17 E HA 0.141 4.491 4.350 0.001 0.000 0.269 17 E C -0.581 175.912 176.600 -0.178 0.000 1.022 17 E CA -0.135 56.126 56.400 -0.232 0.000 0.887 17 E CB 0.402 30.045 29.700 -0.096 0.000 0.990 17 E HN 0.181 nan 8.360 nan 0.000 0.426 18 F N 2.124 122.055 119.950 -0.032 0.000 2.642 18 F HA -0.055 4.473 4.527 0.001 0.000 0.371 18 F C 0.645 176.408 175.800 -0.061 0.000 1.120 18 F CA 0.416 58.385 58.000 -0.052 0.000 1.331 18 F CB 0.222 39.190 39.000 -0.053 0.000 1.044 18 F HN 0.330 nan 8.300 nan 0.000 0.594 19 M N 2.850 122.519 119.600 0.116 0.000 2.531 19 M HA 0.622 5.102 4.480 0.001 0.000 0.286 19 M C -0.994 175.211 176.300 -0.157 0.000 1.232 19 M CA -0.486 54.803 55.300 -0.018 0.000 0.877 19 M CB 2.035 34.627 32.600 -0.013 0.000 1.726 19 M HN 0.516 nan 8.290 nan 0.000 0.463 20 A N 1.867 124.463 122.820 -0.374 0.000 2.407 20 A HA 0.585 4.905 4.320 0.001 0.000 0.248 20 A C -0.875 176.495 177.584 -0.355 0.000 1.082 20 A CA -0.463 51.160 52.037 -0.690 0.000 0.785 20 A CB 0.412 18.379 19.000 -1.723 0.000 1.020 20 A HN 1.045 nan 8.150 nan 0.000 0.489 21 V N 3.509 123.272 119.914 -0.251 0.000 2.409 21 V HA 0.600 4.721 4.120 0.001 0.000 0.290 21 V C 0.215 176.380 176.094 0.117 0.000 1.017 21 V CA 0.286 62.566 62.300 -0.034 0.000 0.841 21 V CB 1.336 33.155 31.823 -0.006 0.000 1.003 21 V HN 1.256 nan 8.190 nan 0.000 0.426 22 T N 4.472 119.110 114.554 0.140 0.000 2.934 22 T HA 0.850 5.200 4.350 0.001 0.000 0.283 22 T C 0.127 174.836 174.700 0.016 0.000 1.005 22 T CA -0.120 62.072 62.100 0.152 0.000 1.041 22 T CB 1.768 70.725 68.868 0.149 0.000 1.042 22 T HN 1.378 nan 8.240 nan 0.000 0.505 23 A N 1.797 124.471 122.820 -0.244 0.000 2.309 23 A HA 0.596 4.916 4.320 0.001 0.000 0.298 23 A C 0.460 177.901 177.584 -0.238 0.000 1.165 23 A CA -0.852 50.773 52.037 -0.686 0.000 0.821 23 A CB 0.192 18.683 19.000 -0.848 0.000 1.102 23 A HN 0.950 nan 8.150 nan 0.000 0.500 24 N N 2.385 120.963 118.700 -0.203 0.000 2.673 24 N HA 0.049 4.789 4.740 0.001 0.000 0.265 24 N C -1.324 174.178 175.510 -0.013 0.000 1.709 24 N CA -0.250 52.771 53.050 -0.048 0.000 0.792 24 N CB 0.271 38.756 38.487 -0.003 0.000 1.286 24 N HN 0.924 nan 8.380 nan 0.000 0.506 25 N N -1.150 117.559 118.700 0.015 0.000 2.701 25 N HA 0.135 4.875 4.740 0.001 0.000 0.290 25 N C 0.713 176.363 175.510 0.234 0.000 1.338 25 N CA -0.459 52.635 53.050 0.074 0.000 0.799 25 N CB 0.924 39.414 38.487 0.006 0.000 1.491 25 N HN 0.041 nan 8.380 nan 0.000 0.540 26 S N -1.151 114.647 115.700 0.163 0.000 2.537 26 S HA -0.129 4.341 4.470 0.001 0.000 0.240 26 S C 0.994 175.545 174.600 -0.082 0.000 0.981 26 S CA 0.875 59.153 58.200 0.130 0.000 0.948 26 S CB -0.361 62.840 63.200 0.002 0.000 0.759 26 S HN 0.661 nan 8.310 nan 0.000 0.531 27 Q N -0.787 119.048 119.800 0.059 0.000 2.322 27 Q HA 0.500 4.840 4.340 0.001 0.000 0.250 27 Q C -0.723 175.438 176.000 0.268 0.000 0.853 27 Q CA -0.076 55.717 55.803 -0.017 0.000 0.951 27 Q CB 0.762 29.464 28.738 -0.060 0.000 1.114 27 Q HN 0.456 nan 8.270 nan 0.000 0.523 28 L N 0.609 122.056 121.223 0.373 0.000 2.472 28 L HA 0.582 4.923 4.340 0.001 0.000 0.260 28 L C -2.241 174.744 176.870 0.191 0.000 0.963 28 L CA -0.902 54.130 54.840 0.321 0.000 0.829 28 L CB 2.316 44.426 42.059 0.085 0.000 1.348 28 L HN -0.018 nan 8.230 nan 0.000 0.408 29 L N 3.692 125.015 121.223 0.166 0.000 2.528 29 L HA 0.837 5.178 4.340 0.001 0.000 0.267 29 L C -0.847 176.120 176.870 0.161 0.000 0.961 29 L CA 0.376 55.275 54.840 0.099 0.000 0.866 29 L CB 2.041 44.095 42.059 -0.009 0.000 1.248 29 L HN 0.851 nan 8.230 nan 0.000 0.404 30 T N 0.106 114.710 114.554 0.085 0.000 2.907 30 T HA 0.882 5.232 4.350 0.001 0.000 0.290 30 T C -0.871 173.946 174.700 0.196 0.000 1.066 30 T CA -0.585 61.455 62.100 -0.100 0.000 1.012 30 T CB 1.557 70.355 68.868 -0.118 0.000 1.184 30 T HN 0.735 nan 8.240 nan 0.000 0.522 31 W N -1.364 120.048 121.300 0.186 0.000 3.038 31 W HA 0.850 5.511 4.660 0.001 0.000 0.347 31 W C -1.815 174.851 176.519 0.244 0.000 1.219 31 W CA -1.334 56.099 57.345 0.146 0.000 1.142 31 W CB 0.983 30.475 29.460 0.053 0.000 1.484 31 W HN 0.849 nan 8.180 nan 0.000 0.586 32 W N 0.297 121.643 121.300 0.076 0.000 3.042 32 W HA 0.476 5.136 4.660 0.001 0.000 0.342 32 W C -1.654 174.619 176.519 -0.411 0.000 1.240 32 W CA -1.187 56.123 57.345 -0.057 0.000 1.166 32 W CB 2.351 31.854 29.460 0.071 0.000 1.469 32 W HN 0.582 nan 8.180 nan 0.000 0.579 33 H N 2.486 121.226 119.070 -0.550 0.000 2.906 33 H HA 0.194 4.750 4.556 0.001 0.000 0.324 33 H C 0.865 176.086 175.328 -0.178 0.000 0.973 33 H CA -0.447 55.320 56.048 -0.468 0.000 1.321 33 H CB 1.366 30.536 29.762 -0.987 0.000 1.535 33 H HN 0.232 nan 8.280 nan 0.000 0.518 34 N N 1.047 119.845 118.700 0.164 0.000 2.453 34 N HA -0.088 4.652 4.740 0.001 0.000 0.183 34 N C 1.090 176.669 175.510 0.114 0.000 1.041 34 N CA 1.217 54.392 53.050 0.207 0.000 0.900 34 N CB 0.211 38.805 38.487 0.178 0.000 0.961 34 N HN 0.630 nan 8.380 nan 0.000 0.443 35 T N -2.271 112.309 114.554 0.043 0.000 3.273 35 T HA 0.291 4.642 4.350 0.001 0.000 0.254 35 T C 0.833 175.511 174.700 -0.037 0.000 1.002 35 T CA -0.740 61.359 62.100 -0.001 0.000 0.913 35 T CB -0.170 68.679 68.868 -0.031 0.000 1.056 35 T HN 0.014 nan 8.240 nan 0.000 0.576 36 G N 0.929 109.734 108.800 0.008 0.000 2.365 36 G HA2 0.378 4.339 3.960 0.001 0.000 0.249 36 G HA3 0.378 4.339 3.960 0.001 0.000 0.249 36 G C -0.682 174.231 174.900 0.021 0.000 1.288 36 G CA -0.474 44.664 45.100 0.064 0.000 0.887 36 G HN 0.566 nan 8.290 nan 0.000 0.524 37 E N 2.249 122.439 120.200 -0.017 0.000 2.199 37 E HA 0.323 4.674 4.350 0.001 0.000 0.265 37 E C -0.442 176.124 176.600 -0.056 0.000 0.882 37 E CA -0.770 55.609 56.400 -0.036 0.000 0.759 37 E CB 1.305 30.979 29.700 -0.045 0.000 1.148 37 E HN 0.378 nan 8.360 nan 0.000 0.412 38 I N 4.574 125.109 120.570 -0.058 0.000 2.337 38 I HA 0.244 4.415 4.170 0.001 0.000 0.291 38 I C -0.120 175.963 176.117 -0.057 0.000 1.046 38 I CA 0.003 61.258 61.300 -0.075 0.000 1.324 38 I CB 0.474 38.427 38.000 -0.078 0.000 1.409 38 I HN 0.472 nan 8.210 nan 0.000 0.494 39 N N 3.491 122.158 118.700 -0.056 0.000 2.537 39 N HA 0.199 4.939 4.740 0.001 0.000 0.281 39 N C -0.052 175.435 175.510 -0.038 0.000 1.097 39 N CA -0.366 52.659 53.050 -0.042 0.000 0.964 39 N CB 1.389 39.856 38.487 -0.033 0.000 1.588 39 N HN 0.569 nan 8.380 nan 0.000 0.511 40 T N -0.099 114.431 114.554 -0.040 0.000 3.132 40 T HA 0.254 4.604 4.350 0.001 0.000 0.274 40 T C 0.642 175.320 174.700 -0.036 0.000 1.011 40 T CA 0.031 62.107 62.100 -0.040 0.000 0.899 40 T CB 0.304 69.140 68.868 -0.052 0.000 1.089 40 T HN 0.571 nan 8.240 nan 0.000 0.543 41 Q N 0.751 120.535 119.800 -0.026 0.000 2.330 41 Q HA 0.219 4.559 4.340 0.001 0.000 0.254 41 Q C 0.547 176.542 176.000 -0.008 0.000 0.777 41 Q CA 0.389 56.179 55.803 -0.021 0.000 0.972 41 Q CB 1.554 30.278 28.738 -0.022 0.000 1.236 41 Q HN 0.631 nan 8.270 nan 0.000 0.508 42 T N -1.548 113.003 114.554 -0.006 0.000 2.888 42 T HA 0.580 4.930 4.350 0.001 0.000 0.288 42 T C -2.929 171.775 174.700 0.006 0.000 1.063 42 T CA -2.438 59.664 62.100 0.003 0.000 1.010 42 T CB 1.889 70.756 68.868 -0.002 0.000 1.214 42 T HN -0.315 nan 8.240 nan 0.000 0.533 43 P HA 0.285 nan 4.420 nan 0.000 0.271 43 P C 0.214 177.504 177.300 -0.018 0.000 1.220 43 P CA -0.570 62.533 63.100 0.006 0.000 0.768 43 P CB 0.368 32.072 31.700 0.007 0.000 0.848 44 V N 1.183 121.083 119.914 -0.024 0.000 3.185 44 V HA 0.521 4.642 4.120 0.001 0.000 0.305 44 V C 0.557 176.609 176.094 -0.070 0.000 1.090 44 V CA -0.977 61.295 62.300 -0.046 0.000 1.107 44 V CB -0.339 31.450 31.823 -0.056 0.000 1.061 44 V HN 0.645 nan 8.190 nan 0.000 0.480 45 A N 1.680 124.454 122.820 -0.076 0.000 2.492 45 A HA 0.149 4.469 4.320 0.001 0.000 0.236 45 A C 1.146 178.637 177.584 -0.155 0.000 1.078 45 A CA 0.456 52.434 52.037 -0.099 0.000 0.773 45 A CB -0.324 18.633 19.000 -0.073 0.000 1.023 45 A HN 1.034 nan 8.150 nan 0.000 0.504 46 D N 1.615 121.864 120.400 -0.251 0.000 2.103 46 D HA -0.142 4.499 4.640 0.001 0.000 0.190 46 D C 1.880 178.026 176.300 -0.255 0.000 0.997 46 D CA 2.240 55.932 54.000 -0.513 0.000 0.833 46 D CB -0.536 39.702 40.800 -0.936 0.000 0.961 46 D HN 0.705 nan 8.370 nan 0.000 0.447 47 G N -0.035 108.728 108.800 -0.062 0.000 3.061 47 G HA2 -0.061 3.900 3.960 0.001 0.000 0.208 47 G HA3 -0.061 3.900 3.960 0.001 0.000 0.208 47 G C 0.432 175.311 174.900 -0.035 0.000 1.175 47 G CA -0.140 44.996 45.100 0.060 0.000 0.812 47 G HN 0.096 nan 8.290 nan 0.000 0.523 48 N N -0.720 117.928 118.700 -0.085 0.000 2.459 48 N HA 0.618 5.358 4.740 0.001 0.000 0.288 48 N C -0.881 174.490 175.510 -0.232 0.000 1.186 48 N CA -0.495 52.478 53.050 -0.128 0.000 0.917 48 N CB 2.227 40.658 38.487 -0.093 0.000 1.219 48 N HN -0.178 nan 8.380 nan 0.000 0.525 49 V N 0.858 120.593 119.914 -0.298 0.000 2.483 49 V HA 0.367 4.488 4.120 0.001 0.000 0.297 49 V C 0.252 176.224 176.094 -0.204 0.000 1.027 49 V CA -0.871 61.136 62.300 -0.488 0.000 0.855 49 V CB 1.566 32.873 31.823 -0.859 0.000 0.995 49 V HN 0.532 nan 8.190 nan 0.000 0.424 50 R N 3.559 123.968 120.500 -0.150 0.000 2.458 50 R HA 0.136 4.476 4.340 0.001 0.000 0.303 50 R C -0.106 176.165 176.300 -0.049 0.000 1.013 50 R CA 0.268 56.334 56.100 -0.057 0.000 1.026 50 R CB 0.395 30.693 30.300 -0.002 0.000 0.948 50 R HN 0.824 nan 8.270 nan 0.000 0.417 51 Q N 2.850 122.580 119.800 -0.116 0.000 2.337 51 Q HA 0.173 4.514 4.340 0.001 0.000 0.266 51 Q C -1.050 174.772 176.000 -0.298 0.000 1.023 51 Q CA -0.558 55.045 55.803 -0.334 0.000 0.829 51 Q CB 1.967 30.444 28.738 -0.435 0.000 1.306 51 Q HN 0.614 nan 8.270 nan 0.000 0.449 52 S N 1.946 117.434 115.700 -0.353 0.000 2.525 52 S HA 0.213 4.684 4.470 0.001 0.000 0.285 52 S C 0.795 175.257 174.600 -0.231 0.000 1.283 52 S CA 0.451 58.517 58.200 -0.224 0.000 1.072 52 S CB 0.323 63.434 63.200 -0.149 0.000 0.867 52 S HN 0.796 nan 8.310 nan 0.000 0.492 53 G N 3.580 112.265 108.800 -0.192 0.000 3.189 53 G HA2 0.195 4.155 3.960 0.001 0.000 0.225 53 G HA3 0.195 4.155 3.960 0.001 0.000 0.225 53 G C 0.743 175.510 174.900 -0.223 0.000 1.159 53 G CA 0.004 44.996 45.100 -0.180 0.000 0.763 53 G HN 0.661 nan 8.290 nan 0.000 0.549 54 L N -1.266 119.771 121.223 -0.310 0.000 2.500 54 L HA 0.541 4.882 4.340 0.001 0.000 0.219 54 L C -0.539 175.967 176.870 -0.606 0.000 1.057 54 L CA 0.076 54.607 54.840 -0.515 0.000 0.854 54 L CB 0.335 41.952 42.059 -0.737 0.000 1.078 54 L HN 0.064 nan 8.230 nan 0.000 0.480 55 Y N -0.215 119.979 120.300 -0.176 0.000 2.364 55 Y HA 0.652 5.202 4.550 0.001 0.000 0.340 55 Y C 0.053 175.859 175.900 -0.157 0.000 0.975 55 Y CA -0.987 57.015 58.100 -0.162 0.000 1.089 55 Y CB 1.759 40.141 38.460 -0.130 0.000 1.192 55 Y HN -0.193 nan 8.280 nan 0.000 0.454 56 S N 2.407 118.131 115.700 0.040 0.000 2.482 56 S HA 0.773 5.244 4.470 0.001 0.000 0.303 56 S C -0.880 173.723 174.600 0.005 0.000 1.091 56 S CA -0.784 57.413 58.200 -0.005 0.000 1.057 56 S CB 1.575 64.757 63.200 -0.030 0.000 1.031 56 S HN 0.337 nan 8.310 nan 0.000 0.485 57 V N 3.316 123.234 119.914 0.006 0.000 2.656 57 V HA 0.561 4.681 4.120 0.001 0.000 0.307 57 V C -0.525 175.583 176.094 0.023 0.000 1.051 57 V CA -0.746 61.556 62.300 0.005 0.000 0.893 57 V CB 1.999 33.816 31.823 -0.009 0.000 0.999 57 V HN 0.776 nan 8.190 nan 0.000 0.426 58 K N 2.596 123.015 120.400 0.031 0.000 2.422 58 K HA 0.828 5.148 4.320 0.001 0.000 0.251 58 K C -1.622 175.054 176.600 0.126 0.000 0.933 58 K CA -0.655 55.687 56.287 0.092 0.000 0.798 58 K CB 2.772 35.347 32.500 0.126 0.000 1.238 58 K HN 0.435 nan 8.250 nan 0.000 0.428 59 V N 2.177 122.096 119.914 0.007 0.000 2.604 59 V HA 0.401 4.522 4.120 0.001 0.000 0.305 59 V C -0.811 175.127 176.094 -0.261 0.000 1.043 59 V CA -0.804 61.381 62.300 -0.193 0.000 0.888 59 V CB 1.662 33.150 31.823 -0.558 0.000 0.995 59 V HN 0.724 nan 8.190 nan 0.000 0.429 60 Q N 2.044 121.575 119.800 -0.448 0.000 2.290 60 Q HA 0.394 4.734 4.340 0.001 0.000 0.269 60 Q C -0.803 175.060 176.000 -0.227 0.000 1.016 60 Q CA -0.471 55.011 55.803 -0.535 0.000 0.754 60 Q CB 1.954 29.895 28.738 -1.328 0.000 1.247 60 Q HN 0.795 nan 8.270 nan 0.000 0.451 61 T N 3.458 117.963 114.554 -0.081 0.000 2.902 61 T HA 0.078 4.428 4.350 0.001 0.000 0.301 61 T C 0.404 175.115 174.700 0.019 0.000 1.012 61 T CA 0.324 62.442 62.100 0.030 0.000 1.151 61 T CB 0.390 69.267 68.868 0.016 0.000 0.946 61 T HN 0.716 nan 8.240 nan 0.000 0.542 62 T N 2.810 117.448 114.554 0.140 0.000 2.813 62 T HA 0.323 4.673 4.350 0.001 0.000 0.297 62 T C -2.285 172.469 174.700 0.090 0.000 1.036 62 T CA -1.618 60.556 62.100 0.123 0.000 1.044 62 T CB 0.150 69.121 68.868 0.171 0.000 0.993 62 T HN 0.322 nan 8.240 nan 0.000 0.535 63 P HA 0.276 nan 4.420 nan 0.000 0.271 63 P C -0.514 176.793 177.300 0.013 0.000 1.218 63 P CA -0.443 62.685 63.100 0.047 0.000 0.780 63 P CB 0.280 31.998 31.700 0.030 0.000 0.901 64 A N 3.036 125.864 122.820 0.013 0.000 2.484 64 A HA 0.437 4.758 4.320 0.001 0.000 0.268 64 A C 0.738 178.328 177.584 0.010 0.000 1.114 64 A CA 0.210 52.251 52.037 0.007 0.000 0.780 64 A CB -0.759 18.251 19.000 0.016 0.000 1.061 64 A HN 0.654 nan 8.150 nan 0.000 0.505 65 S N 0.798 116.508 115.700 0.018 0.000 2.732 65 S HA 0.547 5.017 4.470 0.001 0.000 0.293 65 S C 0.696 175.325 174.600 0.049 0.000 1.159 65 S CA 0.040 58.252 58.200 0.020 0.000 0.847 65 S CB 1.094 64.297 63.200 0.005 0.000 1.169 65 S HN 1.398 nan 8.310 nan 0.000 0.501 66 S N -0.055 115.665 115.700 0.032 0.000 2.660 66 S HA 0.090 4.561 4.470 0.001 0.000 0.228 66 S C 0.983 175.607 174.600 0.040 0.000 0.966 66 S CA 0.381 58.604 58.200 0.038 0.000 0.940 66 S CB -0.722 62.486 63.200 0.014 0.000 0.773 66 S HN 0.725 nan 8.310 nan 0.000 0.535 67 S N 0.542 116.261 115.700 0.032 0.000 2.700 67 S HA 0.274 4.745 4.470 0.001 0.000 0.250 67 S C 0.084 174.686 174.600 0.003 0.000 1.355 67 S CA -0.411 57.794 58.200 0.007 0.000 0.970 67 S CB -0.164 63.030 63.200 -0.008 0.000 0.975 67 S HN 0.481 nan 8.310 nan 0.000 0.563 68 L N 0.909 122.087 121.223 -0.076 0.000 2.334 68 L HA 0.485 4.826 4.340 0.001 0.000 0.277 68 L C -1.414 175.269 176.870 -0.312 0.000 1.075 68 L CA -0.127 54.586 54.840 -0.212 0.000 0.804 68 L CB 0.722 42.550 42.059 -0.386 0.000 1.174 68 L HN 0.600 nan 8.230 nan 0.000 0.438 69 Y N 3.715 123.777 120.300 -0.396 0.000 2.341 69 Y HA 0.453 5.003 4.550 0.001 0.000 0.337 69 Y C -0.851 174.783 175.900 -0.443 0.000 1.014 69 Y CA -0.029 57.900 58.100 -0.285 0.000 1.111 69 Y CB 1.224 39.602 38.460 -0.136 0.000 1.194 69 Y HN 0.446 nan 8.280 nan 0.000 0.462 70 Y N 2.218 122.526 120.300 0.014 0.000 2.361 70 Y HA 0.240 4.791 4.550 0.001 0.000 0.332 70 Y C 0.269 176.142 175.900 -0.045 0.000 1.101 70 Y CA -1.086 56.994 58.100 -0.033 0.000 1.137 70 Y CB 0.784 39.209 38.460 -0.057 0.000 1.207 70 Y HN 0.521 nan 8.280 nan 0.000 0.463 71 D N 1.182 121.614 120.400 0.053 0.000 2.414 71 D HA 0.072 4.712 4.640 0.001 0.000 0.242 71 D C -0.498 175.878 176.300 0.127 0.000 1.129 71 D CA 0.335 54.335 54.000 0.000 0.000 0.885 71 D CB 1.569 42.177 40.800 -0.319 0.000 1.198 71 D HN 0.355 nan 8.370 nan 0.000 0.437 72 S N 1.972 117.780 115.700 0.180 0.000 2.756 72 S HA 0.234 4.704 4.470 0.001 0.000 0.303 72 S C -0.678 173.986 174.600 0.108 0.000 1.135 72 S CA -0.780 57.461 58.200 0.069 0.000 1.066 72 S CB 0.150 63.313 63.200 -0.062 0.000 1.008 72 S HN 0.310 nan 8.310 nan 0.000 0.482 73 F N 5.481 125.346 119.950 -0.142 0.000 2.612 73 F HA 0.214 4.741 4.527 0.001 0.000 0.389 73 F C -0.049 175.358 175.800 -0.656 0.000 1.055 73 F CA 0.508 58.145 58.000 -0.606 0.000 1.232 73 F CB 0.504 39.028 39.000 -0.794 0.000 1.044 73 F HN 0.306 nan 8.300 nan 0.000 0.560 74 V N 8.336 127.610 119.914 -1.067 0.000 2.318 74 V HA 0.125 4.246 4.120 0.001 0.000 0.271 74 V C -0.314 175.209 176.094 -0.953 0.000 1.030 74 V CA -0.679 61.165 62.300 -0.760 0.000 0.844 74 V CB -0.214 31.343 31.823 -0.443 0.000 1.015 74 V HN 0.534 nan 8.190 nan 0.000 0.460 75 Y N 4.705 124.586 120.300 -0.699 0.000 2.299 75 Y HA 0.553 5.103 4.550 0.001 0.000 0.335 75 Y C 0.106 175.617 175.900 -0.648 0.000 1.287 75 Y CA -0.526 57.100 58.100 -0.790 0.000 1.424 75 Y CB 0.782 38.223 38.460 -1.697 0.000 1.326 75 Y HN 0.497 nan 8.280 nan 0.000 0.567 76 L N 1.497 122.602 121.223 -0.197 0.000 2.464 76 L HA 0.829 5.170 4.340 0.001 0.000 0.266 76 L C -1.245 175.755 176.870 0.217 0.000 0.965 76 L CA -0.685 54.171 54.840 0.026 0.000 0.833 76 L CB 1.628 43.676 42.059 -0.019 0.000 1.296 76 L HN 0.652 nan 8.230 nan 0.000 0.405 77 A N 5.838 128.885 122.820 0.379 0.000 2.355 77 A HA 0.895 5.216 4.320 0.001 0.000 0.317 77 A C -1.031 176.784 177.584 0.384 0.000 1.094 77 A CA -0.533 51.750 52.037 0.409 0.000 0.764 77 A CB 1.240 20.516 19.000 0.460 0.000 1.230 77 A HN 0.812 nan 8.150 nan 0.000 0.448 78 I N -0.175 120.563 120.570 0.280 0.000 2.934 78 I HA 0.710 4.881 4.170 0.001 0.000 0.306 78 I C -3.031 173.024 176.117 -0.103 0.000 1.110 78 I CA -2.988 58.330 61.300 0.029 0.000 1.019 78 I CB 1.588 39.563 38.000 -0.042 0.000 1.227 78 I HN 0.356 nan 8.210 nan 0.000 0.434 79 P HA 0.181 nan 4.420 nan 0.000 0.268 79 P C 0.727 177.918 177.300 -0.181 0.000 1.204 79 P CA 1.223 64.031 63.100 -0.488 0.000 0.768 79 P CB 0.910 32.198 31.700 -0.685 0.000 0.842 80 G N 3.444 112.160 108.800 -0.141 0.000 2.284 80 G HA2 -0.310 3.650 3.960 0.001 0.000 0.247 80 G HA3 -0.310 3.650 3.960 0.001 0.000 0.247 80 G C 0.560 175.541 174.900 0.135 0.000 1.012 80 G CA 0.195 45.343 45.100 0.081 0.000 0.618 80 G HN 0.580 nan 8.290 nan 0.000 0.521 81 N N -0.945 117.798 118.700 0.070 0.000 2.747 81 N HA -0.159 4.582 4.740 0.001 0.000 0.249 81 N C 1.670 177.230 175.510 0.085 0.000 1.107 81 N CA 2.478 55.592 53.050 0.106 0.000 0.707 81 N CB -1.515 37.068 38.487 0.160 0.000 1.054 81 N HN 2.367 nan 8.380 nan 0.000 0.555 82 G N -0.958 107.874 108.800 0.054 0.000 2.176 82 G HA2 -0.338 3.623 3.960 0.001 0.000 0.253 82 G HA3 -0.338 3.623 3.960 0.001 0.000 0.253 82 G C 0.105 175.038 174.900 0.055 0.000 0.979 82 G CA 0.527 45.650 45.100 0.039 0.000 0.641 82 G HN 0.401 nan 8.290 nan 0.000 0.530 83 M N 2.514 122.171 119.600 0.094 0.000 2.365 83 M HA 0.343 4.824 4.480 0.001 0.000 0.350 83 M C 1.737 178.101 176.300 0.106 0.000 1.274 83 M CA 0.281 55.649 55.300 0.114 0.000 1.252 83 M CB 1.190 33.895 32.600 0.175 0.000 1.297 83 M HN 0.345 nan 8.290 nan 0.000 0.438 84 S N 0.349 116.085 115.700 0.060 0.000 2.419 84 S HA -0.172 4.299 4.470 0.001 0.000 0.235 84 S C 1.168 175.789 174.600 0.034 0.000 1.019 84 S CA 1.527 59.748 58.200 0.034 0.000 0.982 84 S CB -0.395 62.813 63.200 0.013 0.000 0.789 84 S HN 0.776 nan 8.310 nan 0.000 0.490 85 D N 0.044 120.478 120.400 0.056 0.000 2.323 85 D HA 0.100 4.740 4.640 0.001 0.000 0.239 85 D C 1.342 177.689 176.300 0.078 0.000 1.129 85 D CA 0.226 54.254 54.000 0.046 0.000 0.865 85 D CB -0.042 40.795 40.800 0.063 0.000 0.913 85 D HN 0.410 nan 8.370 nan 0.000 0.517 86 Q N -0.539 119.337 119.800 0.127 0.000 2.245 86 Q HA 0.345 4.686 4.340 0.001 0.000 0.250 86 Q C 1.807 177.929 176.000 0.203 0.000 0.830 86 Q CA -0.001 55.968 55.803 0.277 0.000 0.950 86 Q CB 0.153 29.153 28.738 0.436 0.000 1.124 86 Q HN 0.236 nan 8.270 nan 0.000 0.502 87 L N 1.135 122.398 121.223 0.066 0.000 2.129 87 L HA -0.267 4.074 4.340 0.001 0.000 0.212 87 L C 2.118 178.923 176.870 -0.108 0.000 1.087 87 L CA 1.863 56.704 54.840 0.001 0.000 0.757 87 L CB -0.575 41.458 42.059 -0.042 0.000 0.896 87 L HN 0.434 nan 8.230 nan 0.000 0.434 88 Q N -0.521 119.114 119.800 -0.275 0.000 2.443 88 Q HA -0.220 4.120 4.340 0.001 0.000 0.213 88 Q C 1.040 176.741 176.000 -0.498 0.000 0.982 88 Q CA 1.715 57.265 55.803 -0.421 0.000 0.894 88 Q CB -0.470 27.925 28.738 -0.573 0.000 0.947 88 Q HN 0.586 nan 8.270 nan 0.000 0.480 89 Y N 1.462 121.681 120.300 -0.135 0.000 2.524 89 Y HA 0.199 4.750 4.550 0.001 0.000 0.266 89 Y C 0.860 176.621 175.900 -0.231 0.000 1.180 89 Y CA -0.216 57.635 58.100 -0.415 0.000 1.244 89 Y CB 0.681 38.662 38.460 -0.798 0.000 1.125 89 Y HN 0.190 nan 8.280 nan 0.000 0.524 90 T N -3.792 110.768 114.554 0.009 0.000 2.905 90 T HA 0.180 4.530 4.350 0.001 0.000 0.283 90 T C 0.770 175.419 174.700 -0.085 0.000 1.031 90 T CA -0.798 61.314 62.100 0.020 0.000 1.002 90 T CB 1.512 70.388 68.868 0.013 0.000 1.200 90 T HN -0.127 nan 8.240 nan 0.000 0.560 91 Q N -0.091 119.634 119.800 -0.126 0.000 2.482 91 Q HA 0.197 4.537 4.340 0.001 0.000 0.209 91 Q C 1.584 177.301 176.000 -0.471 0.000 0.961 91 Q CA 1.017 56.639 55.803 -0.302 0.000 0.945 91 Q CB -0.300 28.207 28.738 -0.386 0.000 1.012 91 Q HN 1.246 nan 8.270 nan 0.000 0.515 92 G N 0.174 108.798 108.800 -0.293 0.000 2.143 92 G HA2 -0.299 3.661 3.960 0.001 0.000 0.248 92 G HA3 -0.299 3.661 3.960 0.001 0.000 0.248 92 G C -0.147 174.668 174.900 -0.143 0.000 0.991 92 G CA 0.033 45.001 45.100 -0.219 0.000 0.689 92 G HN 0.396 nan 8.290 nan 0.000 0.522 93 Y N -0.065 120.218 120.300 -0.029 0.000 2.326 93 Y HA 0.380 4.931 4.550 0.001 0.000 0.324 93 Y C 1.438 177.281 175.900 -0.096 0.000 1.291 93 Y CA -0.446 57.637 58.100 -0.029 0.000 1.348 93 Y CB 0.789 39.261 38.460 0.020 0.000 1.294 93 Y HN 0.213 nan 8.280 nan 0.000 0.525 94 N N -0.654 118.111 118.700 0.108 0.000 2.279 94 N HA 0.053 4.794 4.740 0.001 0.000 0.226 94 N C -0.842 174.640 175.510 -0.046 0.000 1.126 94 N CA -0.225 52.816 53.050 -0.016 0.000 0.846 94 N CB 0.067 38.552 38.487 -0.004 0.000 1.050 94 N HN 0.563 nan 8.380 nan 0.000 0.502 95 Q N 0.265 120.050 119.800 -0.024 0.000 2.340 95 Q HA 0.288 4.629 4.340 0.001 0.000 0.249 95 Q C -0.047 175.890 176.000 -0.105 0.000 0.957 95 Q CA -0.050 55.753 55.803 0.000 0.000 0.882 95 Q CB 1.037 29.846 28.738 0.119 0.000 1.235 95 Q HN 0.502 nan 8.270 nan 0.000 0.439 96 T N -0.951 113.611 114.554 0.013 0.000 2.916 96 T HA 0.460 4.811 4.350 0.001 0.000 0.292 96 T C -0.796 174.008 174.700 0.173 0.000 1.064 96 T CA -0.949 61.197 62.100 0.077 0.000 1.011 96 T CB 1.824 70.712 68.868 0.033 0.000 1.152 96 T HN 0.539 nan 8.240 nan 0.000 0.510 97 Q N 0.548 120.493 119.800 0.242 0.000 2.320 97 Q HA 0.637 4.978 4.340 0.001 0.000 0.268 97 Q C -1.152 174.983 176.000 0.225 0.000 1.023 97 Q CA -0.808 55.047 55.803 0.088 0.000 0.744 97 Q CB 1.512 30.145 28.738 -0.175 0.000 1.246 97 Q HN 1.043 nan 8.270 nan 0.000 0.462 98 A N 3.531 126.454 122.820 0.171 0.000 2.312 98 A HA 0.841 5.161 4.320 0.001 0.000 0.328 98 A C -1.455 176.228 177.584 0.164 0.000 1.158 98 A CA -0.414 51.719 52.037 0.160 0.000 0.821 98 A CB 0.489 19.573 19.000 0.140 0.000 1.170 98 A HN 0.809 nan 8.150 nan 0.000 0.490 99 W N 0.026 121.260 121.300 -0.110 0.000 3.066 99 W HA 0.706 5.366 4.660 0.001 0.000 0.330 99 W C -1.175 175.295 176.519 -0.081 0.000 1.253 99 W CA -0.265 56.917 57.345 -0.272 0.000 1.187 99 W CB 0.904 30.091 29.460 -0.454 0.000 1.434 99 W HN 0.834 nan 8.180 nan 0.000 0.572 100 T N 1.490 116.011 114.554 -0.056 0.000 2.923 100 T HA 0.682 5.033 4.350 0.001 0.000 0.311 100 T C -1.466 173.312 174.700 0.130 0.000 1.183 100 T CA -0.358 61.745 62.100 0.006 0.000 1.020 100 T CB 1.500 70.304 68.868 -0.107 0.000 1.165 100 T HN 0.598 nan 8.240 nan 0.000 0.482 101 S N 2.273 118.134 115.700 0.269 0.000 2.568 101 S HA 0.967 5.438 4.470 0.001 0.000 0.293 101 S C -1.480 173.099 174.600 -0.036 0.000 1.089 101 S CA -0.676 57.697 58.200 0.288 0.000 0.945 101 S CB 1.143 64.783 63.200 0.734 0.000 1.077 101 S HN 0.730 nan 8.310 nan 0.000 0.485 102 F N -0.411 119.522 119.950 -0.028 0.000 2.678 102 F HA 0.699 5.227 4.527 0.001 0.000 0.308 102 F C -2.184 173.690 175.800 0.122 0.000 1.118 102 F CA -1.346 56.548 58.000 -0.177 0.000 0.959 102 F CB 0.539 39.397 39.000 -0.235 0.000 1.305 102 F HN 0.367 nan 8.300 nan 0.000 0.443 103 L N 3.483 124.999 121.223 0.489 0.000 2.322 103 L HA 0.661 5.002 4.340 0.001 0.000 0.279 103 L C -1.008 176.382 176.870 0.867 0.000 1.036 103 L CA -1.090 54.017 54.840 0.445 0.000 0.807 103 L CB 1.665 43.734 42.059 0.017 0.000 1.226 103 L HN 0.831 nan 8.230 nan 0.000 0.433 104 Y N 0.108 120.881 120.300 0.788 0.000 2.656 104 Y HA 0.530 5.081 4.550 0.001 0.000 0.334 104 Y C -0.307 175.757 175.900 0.274 0.000 1.179 104 Y CA -2.001 56.524 58.100 0.708 0.000 1.050 104 Y CB 1.270 40.112 38.460 0.637 0.000 1.308 104 Y HN 0.441 nan 8.280 nan 0.000 0.456 105 S N -0.386 115.096 115.700 -0.364 0.000 2.960 105 S HA 0.392 4.863 4.470 0.001 0.000 0.256 105 S C -0.750 173.236 174.600 -1.023 0.000 1.017 105 S CA 0.244 57.799 58.200 -1.075 0.000 1.144 105 S CB -0.539 62.063 63.200 -0.996 0.000 1.109 105 S HN 1.119 nan 8.310 nan 0.000 0.638 106 H N 0.600 119.314 119.070 -0.593 0.000 3.064 106 H HA 0.436 4.993 4.556 0.001 0.000 0.352 106 H C -1.705 173.671 175.328 0.081 0.000 1.260 106 H CA -0.379 55.520 56.048 -0.247 0.000 1.160 106 H CB 1.066 30.733 29.762 -0.159 0.000 1.879 106 H HN 0.009 nan 8.280 nan 0.000 0.544 107 D N 1.829 122.077 120.400 -0.253 0.000 2.648 107 D HA 0.322 4.962 4.640 0.001 0.000 0.229 107 D C -0.447 176.001 176.300 0.248 0.000 1.119 107 D CA 1.262 55.288 54.000 0.044 0.000 0.850 107 D CB 0.476 41.192 40.800 -0.141 0.000 1.169 107 D HN 0.646 nan 8.370 nan 0.000 0.489 108 A N 2.250 125.235 122.820 0.275 0.000 2.414 108 A HA 0.579 4.900 4.320 0.001 0.000 0.306 108 A C -0.189 177.439 177.584 0.074 0.000 1.054 108 A CA -0.782 51.354 52.037 0.164 0.000 0.724 108 A CB 1.492 20.583 19.000 0.153 0.000 1.267 108 A HN 0.335 nan 8.150 nan 0.000 0.418 109 T N 1.701 116.264 114.554 0.015 0.000 2.771 109 T HA 0.459 4.809 4.350 0.001 0.000 0.291 109 T C -0.226 174.527 174.700 0.088 0.000 0.954 109 T CA -0.114 62.032 62.100 0.076 0.000 1.045 109 T CB 0.809 69.761 68.868 0.141 0.000 0.917 109 T HN 0.437 nan 8.240 nan 0.000 0.484 110 V N 4.801 124.795 119.914 0.133 0.000 2.350 110 V HA 0.355 4.475 4.120 0.001 0.000 0.276 110 V C 0.352 176.504 176.094 0.097 0.000 1.028 110 V CA -0.730 61.641 62.300 0.118 0.000 0.860 110 V CB 1.152 33.084 31.823 0.181 0.000 0.990 110 V HN 0.710 nan 8.190 nan 0.000 0.453 111 K N 6.067 126.513 120.400 0.078 0.000 2.253 111 K HA 0.598 4.919 4.320 0.001 0.000 0.277 111 K C -1.047 175.460 176.600 -0.155 0.000 1.053 111 K CA -0.470 55.686 56.287 -0.219 0.000 0.892 111 K CB 0.791 33.088 32.500 -0.339 0.000 1.102 111 K HN 0.624 nan 8.250 nan 0.000 0.469 112 I N 3.080 123.558 120.570 -0.154 0.000 2.362 112 I HA 0.205 4.375 4.170 0.001 0.000 0.289 112 I C -0.452 175.677 176.117 0.020 0.000 0.994 112 I CA -0.526 60.775 61.300 0.002 0.000 1.158 112 I CB 2.032 40.115 38.000 0.137 0.000 1.315 112 I HN 0.538 nan 8.210 nan 0.000 0.451 113 S N 5.888 121.598 115.700 0.016 0.000 2.600 113 S HA 0.694 5.165 4.470 0.001 0.000 0.300 113 S C -0.403 174.188 174.600 -0.015 0.000 1.087 113 S CA -0.880 57.314 58.200 -0.010 0.000 0.965 113 S CB 2.279 65.435 63.200 -0.072 0.000 1.089 113 S HN 0.509 nan 8.310 nan 0.000 0.496 114 R N 0.506 120.959 120.500 -0.077 0.000 2.950 114 R HA 0.477 4.818 4.340 0.001 0.000 0.253 114 R C 0.688 176.888 176.300 -0.166 0.000 1.168 114 R CA -1.016 54.973 56.100 -0.185 0.000 1.014 114 R CB 0.303 30.425 30.300 -0.296 0.000 1.228 114 R HN 0.513 nan 8.270 nan 0.000 0.487 115 N N 0.218 118.793 118.700 -0.208 0.000 1.200 115 N HA -0.324 4.417 4.740 0.001 0.000 0.113 115 N C 1.156 176.599 175.510 -0.112 0.000 0.317 115 N CA 2.858 55.813 53.050 -0.159 0.000 0.854 115 N CB -0.495 37.901 38.487 -0.152 0.000 0.794 115 N HN 0.905 nan 8.380 nan 0.000 1.352 116 G N -3.310 105.434 108.800 -0.093 0.000 3.859 116 G HA2 -0.089 3.871 3.960 0.001 0.000 0.220 116 G HA3 -0.089 3.871 3.960 0.001 0.000 0.220 116 G C 0.481 175.348 174.900 -0.054 0.000 0.892 116 G CA 0.857 45.916 45.100 -0.068 0.000 0.858 116 G HN 0.673 nan 8.290 nan 0.000 0.625 117 S N 0.463 116.127 115.700 -0.060 0.000 2.578 117 S HA 0.433 4.904 4.470 0.001 0.000 0.231 117 S C 0.930 175.503 174.600 -0.045 0.000 0.994 117 S CA 0.775 58.946 58.200 -0.047 0.000 0.956 117 S CB 0.302 63.472 63.200 -0.049 0.000 0.870 117 S HN 1.273 nan 8.310 nan 0.000 0.494 118 S N 1.807 117.473 115.700 -0.056 0.000 2.528 118 S HA 0.744 5.214 4.470 0.001 0.000 0.277 118 S C 0.335 174.928 174.600 -0.010 0.000 1.297 118 S CA -0.449 57.722 58.200 -0.048 0.000 1.052 118 S CB 0.962 64.110 63.200 -0.087 0.000 0.917 118 S HN 0.633 nan 8.310 nan 0.000 0.492 119 A N 2.830 125.653 122.820 0.005 0.000 2.272 119 A HA 0.444 4.764 4.320 0.001 0.000 0.275 119 A C 0.479 178.096 177.584 0.055 0.000 1.096 119 A CA -0.757 51.293 52.037 0.022 0.000 0.822 119 A CB -0.150 18.858 19.000 0.013 0.000 1.088 119 A HN 0.891 nan 8.150 nan 0.000 0.495 120 N N 0.539 119.270 118.700 0.051 0.000 2.406 120 N HA 0.201 4.941 4.740 0.001 0.000 0.269 120 N C -0.400 175.128 175.510 0.031 0.000 1.210 120 N CA 0.529 53.622 53.050 0.072 0.000 0.966 120 N CB 0.105 38.617 38.487 0.041 0.000 1.293 120 N HN 0.535 nan 8.380 nan 0.000 0.491 121 S N 2.870 118.647 115.700 0.128 0.000 2.565 121 S HA 0.319 4.790 4.470 0.001 0.000 0.290 121 S C -0.093 174.535 174.600 0.046 0.000 1.150 121 S CA -0.930 57.334 58.200 0.106 0.000 1.058 121 S CB 0.470 63.811 63.200 0.235 0.000 1.032 121 S HN 0.730 nan 8.310 nan 0.000 0.510 122 N N 1.848 120.503 118.700 -0.074 0.000 2.479 122 N HA 0.284 5.025 4.740 0.001 0.000 0.257 122 N C -0.581 174.943 175.510 0.024 0.000 1.232 122 N CA -0.086 52.906 53.050 -0.096 0.000 0.920 122 N CB 0.760 39.190 38.487 -0.094 0.000 1.105 122 N HN 0.473 nan 8.380 nan 0.000 0.444 123 V N 0.543 120.510 119.914 0.089 0.000 2.680 123 V HA 0.717 4.838 4.120 0.001 0.000 0.309 123 V C -0.573 175.493 176.094 -0.046 0.000 1.052 123 V CA -0.911 61.316 62.300 -0.121 0.000 0.908 123 V CB 1.567 33.160 31.823 -0.383 0.000 1.001 123 V HN 0.342 nan 8.190 nan 0.000 0.431 124 V N 5.585 125.464 119.914 -0.059 0.000 2.417 124 V HA 0.499 4.619 4.120 0.001 0.000 0.291 124 V C -0.129 175.939 176.094 -0.044 0.000 1.024 124 V CA -0.494 61.783 62.300 -0.039 0.000 0.861 124 V CB 1.491 33.302 31.823 -0.019 0.000 0.985 124 V HN 0.751 nan 8.190 nan 0.000 0.436 125 I N 5.519 126.045 120.570 -0.075 0.000 2.365 125 I HA 0.517 4.688 4.170 0.001 0.000 0.291 125 I C 0.327 176.387 176.117 -0.095 0.000 1.004 125 I CA -0.196 61.055 61.300 -0.082 0.000 1.311 125 I CB 1.137 38.998 38.000 -0.232 0.000 1.401 125 I HN 0.547 nan 8.210 nan 0.000 0.491 126 R N 6.879 127.372 120.500 -0.011 0.000 2.561 126 R HA 0.422 4.763 4.340 0.001 0.000 0.297 126 R C -2.566 173.771 176.300 0.061 0.000 0.969 126 R CA -1.720 54.354 56.100 -0.043 0.000 0.879 126 R CB 2.416 32.656 30.300 -0.101 0.000 1.178 126 R HN 0.370 nan 8.270 nan 0.000 0.445 127 P HA -0.060 nan 4.420 nan 0.000 0.266 127 P C 0.654 177.853 177.300 -0.169 0.000 1.195 127 P CA 0.168 63.212 63.100 -0.094 0.000 0.768 127 P CB 0.823 32.482 31.700 -0.070 0.000 0.838 128 T N -1.864 112.595 114.554 -0.158 0.000 3.113 128 T HA -0.086 4.264 4.350 0.001 0.000 0.263 128 T C 1.606 176.201 174.700 -0.175 0.000 1.143 128 T CA 1.033 63.033 62.100 -0.166 0.000 1.090 128 T CB -0.884 67.909 68.868 -0.124 0.000 0.922 128 T HN 0.467 nan 8.240 nan 0.000 0.521 129 S N 1.450 117.051 115.700 -0.165 0.000 2.453 129 S HA 0.092 4.562 4.470 0.001 0.000 0.231 129 S C 1.938 176.413 174.600 -0.209 0.000 1.005 129 S CA 0.133 58.249 58.200 -0.140 0.000 0.949 129 S CB -0.845 62.301 63.200 -0.090 0.000 0.774 129 S HN 0.535 nan 8.310 nan 0.000 0.510 130 L N 1.709 122.705 121.223 -0.378 0.000 1.989 130 L HA -0.124 4.217 4.340 0.001 0.000 0.211 130 L C 1.610 178.169 176.870 -0.518 0.000 1.071 130 L CA 1.585 56.005 54.840 -0.701 0.000 0.749 130 L CB -1.212 39.962 42.059 -1.475 0.000 0.890 130 L HN 0.553 nan 8.230 nan 0.000 0.431 131 N N -0.528 117.935 118.700 -0.396 0.000 2.740 131 N HA -0.213 4.528 4.740 0.001 0.000 0.248 131 N C -0.261 175.235 175.510 -0.022 0.000 1.062 131 N CA -0.308 52.641 53.050 -0.168 0.000 0.704 131 N CB -0.847 37.591 38.487 -0.083 0.000 0.968 131 N HN 0.176 nan 8.380 nan 0.000 0.547 132 F N 0.399 120.219 119.950 -0.216 0.000 2.418 132 F HA 0.279 4.806 4.527 0.001 0.000 0.341 132 F C -1.335 174.375 175.800 -0.149 0.000 1.120 132 F CA -2.010 55.857 58.000 -0.222 0.000 1.232 132 F CB 0.521 39.313 39.000 -0.346 0.000 1.175 132 F HN 0.044 nan 8.300 nan 0.000 0.569 133 P HA 0.079 nan 4.420 nan 0.000 0.267 133 P C -1.158 176.142 177.300 0.001 0.000 1.205 133 P CA 0.088 63.201 63.100 0.021 0.000 0.765 133 P CB 0.821 32.522 31.700 0.002 0.000 0.828 134 V N 4.691 124.587 119.914 -0.030 0.000 2.483 134 V HA 0.450 4.570 4.120 0.001 0.000 0.297 134 V C 0.135 176.132 176.094 -0.161 0.000 1.027 134 V CA -0.611 61.618 62.300 -0.118 0.000 0.855 134 V CB 1.764 33.485 31.823 -0.171 0.000 0.995 134 V HN 0.473 nan 8.190 nan 0.000 0.424 135 R N 3.287 123.689 120.500 -0.163 0.000 2.732 135 R HA 0.623 4.963 4.340 0.001 0.000 0.278 135 R C -1.964 174.221 176.300 -0.191 0.000 0.976 135 R CA -0.586 55.465 56.100 -0.081 0.000 0.963 135 R CB 1.858 32.169 30.300 0.019 0.000 1.150 135 R HN 0.611 nan 8.270 nan 0.000 0.478 136 Y N 1.124 121.511 120.300 0.145 0.000 2.331 136 Y HA 0.279 4.830 4.550 0.001 0.000 0.334 136 Y C -0.728 175.264 175.900 0.154 0.000 0.960 136 Y CA -0.734 57.455 58.100 0.148 0.000 1.130 136 Y CB 1.912 40.424 38.460 0.086 0.000 1.164 136 Y HN 0.633 nan 8.280 nan 0.000 0.458 137 D N 2.572 123.178 120.400 0.343 0.000 2.763 137 D HA 0.195 4.835 4.640 0.001 0.000 0.235 137 D C -0.823 175.603 176.300 0.210 0.000 1.334 137 D CA -0.495 53.657 54.000 0.253 0.000 0.950 137 D CB 0.647 41.582 40.800 0.224 0.000 1.433 137 D HN 0.475 nan 8.370 nan 0.000 0.580 138 N N 3.611 122.390 118.700 0.133 0.000 2.667 138 N HA -0.266 4.474 4.740 0.001 0.000 0.263 138 N C -0.857 174.698 175.510 0.076 0.000 1.038 138 N CA 1.301 54.401 53.050 0.085 0.000 0.749 138 N CB -0.602 37.921 38.487 0.059 0.000 0.892 138 N HN 0.579 nan 8.380 nan 0.000 0.546 139 Q N -1.707 118.150 119.800 0.096 0.000 2.463 139 Q HA -0.168 4.172 4.340 0.001 0.000 0.299 139 Q C -1.064 174.984 176.000 0.079 0.000 1.353 139 Q CA 1.554 57.409 55.803 0.087 0.000 0.828 139 Q CB -1.731 27.029 28.738 0.036 0.000 1.157 139 Q HN 0.574 nan 8.270 nan 0.000 0.436 140 S N -1.474 114.291 115.700 0.108 0.000 2.550 140 S HA 0.796 5.266 4.470 0.001 0.000 0.270 140 S C -0.853 173.751 174.600 0.007 0.000 1.145 140 S CA -0.639 57.557 58.200 -0.007 0.000 0.852 140 S CB 2.290 65.388 63.200 -0.170 0.000 1.119 140 S HN 0.075 nan 8.310 nan 0.000 0.465 141 V N 2.799 122.640 119.914 -0.122 0.000 2.448 141 V HA 0.470 4.591 4.120 0.001 0.000 0.295 141 V C -1.624 174.284 176.094 -0.309 0.000 1.025 141 V CA -0.582 61.615 62.300 -0.171 0.000 0.859 141 V CB 0.958 32.718 31.823 -0.105 0.000 0.988 141 V HN 0.872 nan 8.190 nan 0.000 0.431 142 Y N 4.869 125.093 120.300 -0.127 0.000 2.369 142 Y HA 0.607 5.157 4.550 0.001 0.000 0.337 142 Y C 0.196 176.056 175.900 -0.066 0.000 0.961 142 Y CA -0.494 57.580 58.100 -0.044 0.000 1.186 142 Y CB 1.349 39.798 38.460 -0.018 0.000 1.139 142 Y HN 0.474 nan 8.280 nan 0.000 0.494 143 I N 3.694 124.320 120.570 0.094 0.000 2.355 143 I HA 0.227 4.397 4.170 0.001 0.000 0.288 143 I C -0.305 175.846 176.117 0.057 0.000 0.999 143 I CA -0.586 60.750 61.300 0.061 0.000 1.163 143 I CB 1.448 39.506 38.000 0.096 0.000 1.316 143 I HN 0.515 nan 8.210 nan 0.000 0.454 144 T N 6.029 120.580 114.554 -0.003 0.000 2.738 144 T HA 0.221 4.571 4.350 0.001 0.000 0.294 144 T C 0.185 174.724 174.700 -0.269 0.000 0.914 144 T CA -0.327 61.738 62.100 -0.057 0.000 1.052 144 T CB 0.359 69.200 68.868 -0.045 0.000 0.897 144 T HN 0.196 nan 8.240 nan 0.000 0.522 145 V N 7.719 127.497 119.914 -0.226 0.000 2.385 145 V HA 0.262 4.383 4.120 0.001 0.000 0.269 145 V C -2.071 173.888 176.094 -0.225 0.000 1.043 145 V CA -2.181 59.825 62.300 -0.490 0.000 0.906 145 V CB 0.672 32.473 31.823 -0.037 0.000 0.995 145 V HN 0.617 nan 8.190 nan 0.000 0.467 146 P HA 0.144 nan 4.420 nan 0.000 0.275 146 P C -0.838 176.660 177.300 0.329 0.000 1.228 146 P CA -0.270 62.796 63.100 -0.057 0.000 0.786 146 P CB 0.356 31.977 31.700 -0.132 0.000 0.927 147 Y N 2.356 122.734 120.300 0.130 0.000 2.397 147 Y HA 0.425 4.976 4.550 0.001 0.000 0.335 147 Y C 0.085 176.020 175.900 0.058 0.000 1.213 147 Y CA 0.307 58.379 58.100 -0.046 0.000 1.391 147 Y CB 0.619 38.867 38.460 -0.354 0.000 1.293 147 Y HN 0.309 nan 8.280 nan 0.000 0.557 148 S N 6.801 121.858 115.700 -1.071 0.000 2.566 148 S HA 0.357 4.827 4.470 0.001 0.000 0.273 148 S C -2.219 171.778 174.600 -1.004 0.000 1.157 148 S CA -1.325 56.333 58.200 -0.902 0.000 0.938 148 S CB 1.629 64.504 63.200 -0.541 0.000 1.087 148 S HN 0.587 nan 8.310 nan 0.000 0.474 149 P HA -0.067 nan 4.420 nan 0.000 0.224 149 P C 0.885 178.100 177.300 -0.142 0.000 1.142 149 P CA 1.282 64.213 63.100 -0.282 0.000 0.778 149 P CB -0.342 31.278 31.700 -0.133 0.000 0.764 150 T N -5.559 108.864 114.554 -0.218 0.000 3.044 150 T HA 0.458 4.808 4.350 0.001 0.000 0.260 150 T C 1.022 175.628 174.700 -0.157 0.000 1.019 150 T CA 0.189 62.203 62.100 -0.143 0.000 0.921 150 T CB -0.303 68.472 68.868 -0.155 0.000 1.053 150 T HN 0.303 nan 8.240 nan 0.000 0.533 151 G N 1.141 109.829 108.800 -0.187 0.000 2.791 151 G HA2 -0.118 3.842 3.960 0.001 0.000 0.256 151 G HA3 -0.118 3.842 3.960 0.001 0.000 0.256 151 G C -0.886 173.805 174.900 -0.348 0.000 1.380 151 G CA -0.230 44.837 45.100 -0.054 0.000 0.904 151 G HN 0.573 nan 8.290 nan 0.000 0.563 152 Y N -1.011 119.442 120.300 0.254 0.000 2.576 152 Y HA 0.777 5.327 4.550 0.001 0.000 0.346 152 Y C 0.668 176.746 175.900 0.297 0.000 1.018 152 Y CA -0.954 57.346 58.100 0.333 0.000 1.050 152 Y CB 2.377 41.180 38.460 0.572 0.000 1.280 152 Y HN 0.622 nan 8.280 nan 0.000 0.474 153 R N 2.225 123.031 120.500 0.510 0.000 2.500 153 R HA 0.585 4.925 4.340 0.001 0.000 0.299 153 R C -1.857 174.727 176.300 0.472 0.000 1.038 153 R CA -0.489 55.854 56.100 0.404 0.000 0.903 153 R CB 1.230 31.694 30.300 0.273 0.000 1.177 153 R HN 0.571 nan 8.270 nan 0.000 0.455 154 F N -1.288 118.805 119.950 0.239 0.000 2.662 154 F HA 0.676 5.203 4.527 0.001 0.000 0.312 154 F C -0.709 175.147 175.800 0.093 0.000 1.113 154 F CA -1.225 56.871 58.000 0.161 0.000 0.951 154 F CB 1.791 40.843 39.000 0.088 0.000 1.344 154 F HN 0.226 nan 8.300 nan 0.000 0.462 155 S N 0.964 116.879 115.700 0.358 0.000 2.489 155 S HA 0.737 5.208 4.470 0.001 0.000 0.291 155 S C -1.304 173.454 174.600 0.263 0.000 1.151 155 S CA -0.487 57.874 58.200 0.269 0.000 1.082 155 S CB 1.218 64.647 63.200 0.383 0.000 1.019 155 S HN 0.636 nan 8.310 nan 0.000 0.492 156 V N 5.938 125.952 119.914 0.166 0.000 2.328 156 V HA 0.411 4.532 4.120 0.001 0.000 0.278 156 V C -0.425 175.714 176.094 0.076 0.000 1.021 156 V CA -0.530 61.823 62.300 0.088 0.000 0.838 156 V CB 1.167 33.016 31.823 0.043 0.000 0.999 156 V HN 0.885 nan 8.190 nan 0.000 0.447 157 E N 5.049 125.273 120.200 0.039 0.000 2.145 157 E HA 0.411 4.762 4.350 0.001 0.000 0.262 157 E C -1.313 175.323 176.600 0.061 0.000 0.883 157 E CA -0.601 55.880 56.400 0.135 0.000 0.748 157 E CB 1.539 31.334 29.700 0.158 0.000 1.140 157 E HN 0.463 nan 8.360 nan 0.000 0.417 158 F N 2.706 122.738 119.950 0.138 0.000 2.471 158 F HA 0.035 4.562 4.527 0.001 0.000 0.365 158 F C 1.457 177.320 175.800 0.105 0.000 1.095 158 F CA -0.203 57.879 58.000 0.136 0.000 1.174 158 F CB 0.399 39.500 39.000 0.169 0.000 1.105 158 F HN 0.407 nan 8.300 nan 0.000 0.535 159 D N 1.653 122.165 120.400 0.186 0.000 2.157 159 D HA -0.254 4.386 4.640 0.001 0.000 0.191 159 D C 1.693 178.071 176.300 0.130 0.000 1.004 159 D CA 2.022 56.096 54.000 0.125 0.000 0.854 159 D CB -0.344 40.500 40.800 0.072 0.000 0.936 159 D HN 0.634 nan 8.370 nan 0.000 0.446 160 D N -0.433 120.057 120.400 0.151 0.000 2.371 160 D HA -0.101 4.539 4.640 0.001 0.000 0.234 160 D C 0.789 177.152 176.300 0.106 0.000 1.049 160 D CA 0.408 54.472 54.000 0.107 0.000 0.907 160 D CB -0.211 40.642 40.800 0.089 0.000 0.891 160 D HN 0.163 nan 8.370 nan 0.000 0.531 161 D N -0.682 119.812 120.400 0.157 0.000 2.433 161 D HA 0.103 4.743 4.640 0.001 0.000 0.211 161 D C 0.112 176.486 176.300 0.123 0.000 1.114 161 D CA -0.270 53.813 54.000 0.139 0.000 0.837 161 D CB 0.211 41.138 40.800 0.212 0.000 0.984 161 D HN 0.120 nan 8.370 nan 0.000 0.505 162 L N 2.101 123.391 121.223 0.111 0.000 2.380 162 L HA 0.327 4.667 4.340 0.001 0.000 0.273 162 L C 0.593 177.491 176.870 0.048 0.000 1.138 162 L CA -0.324 54.565 54.840 0.082 0.000 0.832 162 L CB 0.822 42.926 42.059 0.075 0.000 1.124 162 L HN 0.107 nan 8.230 nan 0.000 0.454 163 I N -1.306 119.280 120.570 0.027 0.000 3.294 163 I HA 0.588 4.758 4.170 0.001 0.000 0.311 163 I C -0.470 175.635 176.117 -0.020 0.000 1.111 163 I CA -0.783 60.519 61.300 0.004 0.000 0.976 163 I CB 2.292 40.289 38.000 -0.006 0.000 1.260 163 I HN 0.311 nan 8.210 nan 0.000 0.474 164 S N 2.675 118.358 115.700 -0.028 0.000 2.433 164 S HA 0.592 5.062 4.470 0.001 0.000 0.310 164 S C -0.404 174.143 174.600 -0.088 0.000 1.097 164 S CA -0.607 57.570 58.200 -0.038 0.000 1.103 164 S CB 0.925 64.121 63.200 -0.006 0.000 0.992 164 S HN 0.349 nan 8.310 nan 0.000 0.469 165 L N 3.161 124.290 121.223 -0.157 0.000 2.265 165 L HA 0.558 4.898 4.340 0.001 0.000 0.288 165 L C 0.535 177.363 176.870 -0.070 0.000 1.058 165 L CA -0.620 54.026 54.840 -0.322 0.000 0.809 165 L CB 0.804 42.483 42.059 -0.633 0.000 1.179 165 L HN 0.651 nan 8.230 nan 0.000 0.429 166 A N 5.835 128.698 122.820 0.071 0.000 2.316 166 A HA 0.573 4.893 4.320 0.001 0.000 0.284 166 A C -1.511 176.215 177.584 0.236 0.000 1.115 166 A CA -1.060 51.064 52.037 0.144 0.000 0.812 166 A CB 0.249 19.328 19.000 0.133 0.000 1.064 166 A HN 0.667 nan 8.150 nan 0.000 0.489 167 P HA 0.062 nan 4.420 nan 0.000 0.262 167 P C 1.011 178.380 177.300 0.115 0.000 1.304 167 P CA 0.493 63.668 63.100 0.125 0.000 0.859 167 P CB 0.661 32.429 31.700 0.113 0.000 1.310 168 S N 0.721 116.499 115.700 0.130 0.000 2.368 168 S HA 0.024 4.494 4.470 0.001 0.000 0.225 168 S C 1.785 176.433 174.600 0.080 0.000 1.030 168 S CA 1.957 60.227 58.200 0.117 0.000 0.999 168 S CB -1.130 62.145 63.200 0.126 0.000 0.844 168 S HN 0.364 nan 8.310 nan 0.000 0.459 169 G N 0.230 109.061 108.800 0.052 0.000 2.159 169 G HA2 -0.170 3.791 3.960 0.001 0.000 0.256 169 G HA3 -0.170 3.791 3.960 0.001 0.000 0.256 169 G C 0.201 175.115 174.900 0.024 0.000 0.977 169 G CA 0.336 45.457 45.100 0.035 0.000 0.652 169 G HN 1.239 nan 8.290 nan 0.000 0.531 170 A N -0.117 122.715 122.820 0.019 0.000 2.548 170 A HA 0.585 4.905 4.320 0.001 0.000 0.247 170 A C 0.778 178.358 177.584 -0.008 0.000 1.067 170 A CA 0.599 52.646 52.037 0.017 0.000 0.757 170 A CB 0.114 19.124 19.000 0.017 0.000 0.996 170 A HN 0.594 nan 8.150 nan 0.000 0.504 171 R N 2.107 122.616 120.500 0.016 0.000 2.220 171 R HA 0.345 4.686 4.340 0.001 0.000 0.340 171 R C -0.176 176.130 176.300 0.010 0.000 1.076 171 R CA 0.550 56.659 56.100 0.015 0.000 0.920 171 R CB 0.084 30.403 30.300 0.032 0.000 1.062 171 R HN 0.888 nan 8.270 nan 0.000 0.469 172 Q N 3.713 123.491 119.800 -0.037 0.000 2.495 172 Q HA 0.464 4.804 4.340 0.001 0.000 0.287 172 Q C -2.538 173.479 176.000 0.027 0.000 1.078 172 Q CA -2.481 53.256 55.803 -0.110 0.000 0.793 172 Q CB 2.396 30.969 28.738 -0.274 0.000 1.459 172 Q HN 0.346 nan 8.270 nan 0.000 0.422 173 P HA -0.061 nan 4.420 nan 0.000 0.268 173 P C -0.126 177.283 177.300 0.180 0.000 1.204 173 P CA 0.397 63.622 63.100 0.208 0.000 0.768 173 P CB 0.678 32.575 31.700 0.329 0.000 0.842 174 E N 3.359 123.640 120.200 0.134 0.000 2.112 174 E HA -0.085 4.266 4.350 0.001 0.000 0.190 174 E C -0.075 176.588 176.600 0.105 0.000 0.979 174 E CA 0.786 57.239 56.400 0.088 0.000 0.814 174 E CB 0.095 29.825 29.700 0.050 0.000 0.762 174 E HN 0.380 nan 8.360 nan 0.000 0.460 175 N N 1.147 119.941 118.700 0.156 0.000 2.706 175 N HA 0.257 4.998 4.740 0.001 0.000 0.240 175 N C -1.193 174.501 175.510 0.307 0.000 1.039 175 N CA -0.089 53.080 53.050 0.198 0.000 0.888 175 N CB 1.646 40.223 38.487 0.149 0.000 1.128 175 N HN 0.113 nan 8.380 nan 0.000 0.512 176 A N 1.758 124.700 122.820 0.203 0.000 2.425 176 A HA 0.399 4.719 4.320 0.001 0.000 0.242 176 A C -0.093 177.526 177.584 0.059 0.000 1.077 176 A CA -0.057 52.082 52.037 0.171 0.000 0.781 176 A CB 0.331 19.328 19.000 -0.005 0.000 1.020 176 A HN 0.581 nan 8.150 nan 0.000 0.494 177 L N 2.650 123.843 121.223 -0.051 0.000 2.441 177 L HA 0.603 4.944 4.340 0.001 0.000 0.270 177 L C -1.596 175.163 176.870 -0.184 0.000 0.973 177 L CA -0.347 54.342 54.840 -0.252 0.000 0.842 177 L CB 1.457 43.117 42.059 -0.666 0.000 1.239 177 L HN 0.496 nan 8.230 nan 0.000 0.406 178 L N 5.851 126.908 121.223 -0.277 0.000 2.325 178 L HA 0.610 4.951 4.340 0.001 0.000 0.278 178 L C -0.572 175.866 176.870 -0.721 0.000 1.023 178 L CA -0.365 54.159 54.840 -0.527 0.000 0.811 178 L CB 1.629 43.191 42.059 -0.827 0.000 1.249 178 L HN 0.449 nan 8.230 nan 0.000 0.431 179 I N 2.966 123.002 120.570 -0.891 0.000 2.436 179 I HA 0.378 4.549 4.170 0.001 0.000 0.289 179 I C -0.780 174.929 176.117 -0.680 0.000 1.010 179 I CA -0.186 60.616 61.300 -0.830 0.000 1.098 179 I CB 1.149 38.561 38.000 -0.981 0.000 1.266 179 I HN 0.285 nan 8.210 nan 0.000 0.434 180 F N 5.625 125.370 119.950 -0.341 0.000 2.359 180 F HA 0.624 5.151 4.527 0.001 0.000 0.370 180 F C 0.409 175.958 175.800 -0.418 0.000 1.077 180 F CA -0.991 56.853 58.000 -0.261 0.000 1.136 180 F CB 1.158 40.106 39.000 -0.087 0.000 1.387 180 F HN 0.505 nan 8.300 nan 0.000 0.468 181 A N 2.652 125.272 122.820 -0.332 0.000 2.279 181 A HA 0.651 4.972 4.320 0.001 0.000 0.306 181 A C -0.186 177.277 177.584 -0.203 0.000 1.300 181 A CA -0.238 51.292 52.037 -0.846 0.000 0.925 181 A CB 0.421 18.886 19.000 -0.892 0.000 1.152 181 A HN 0.546 nan 8.150 nan 0.000 0.544 182 S N 3.623 119.290 115.700 -0.055 0.000 2.607 182 S HA 0.750 5.220 4.470 0.001 0.000 0.303 182 S C -2.635 172.236 174.600 0.452 0.000 1.086 182 S CA -1.174 57.164 58.200 0.230 0.000 0.995 182 S CB 1.694 65.026 63.200 0.220 0.000 1.084 182 S HN 0.696 nan 8.310 nan 0.000 0.507 183 P HA 0.249 nan 4.420 nan 0.000 0.276 183 P C -0.596 176.991 177.300 0.478 0.000 1.252 183 P CA -0.504 62.892 63.100 0.493 0.000 0.802 183 P CB 0.380 32.290 31.700 0.349 0.000 1.035 184 F N -0.206 119.857 119.950 0.188 0.000 2.535 184 F HA 0.020 4.547 4.527 0.001 0.000 0.332 184 F C 1.661 177.565 175.800 0.173 0.000 1.208 184 F CA -0.157 57.933 58.000 0.151 0.000 1.330 184 F CB 0.327 39.400 39.000 0.121 0.000 1.167 184 F HN 0.236 nan 8.300 nan 0.000 0.597 185 E N 1.279 121.670 120.200 0.318 0.000 2.301 185 E HA 0.113 4.463 4.350 0.001 0.000 0.275 185 E C -0.685 176.068 176.600 0.256 0.000 1.030 185 E CA -0.785 55.803 56.400 0.313 0.000 0.852 185 E CB 0.845 30.748 29.700 0.339 0.000 1.060 185 E HN 0.445 nan 8.360 nan 0.000 0.401 186 N N -0.034 118.797 118.700 0.219 0.000 2.604 186 N HA 0.118 4.858 4.740 0.001 0.000 0.297 186 N C 0.256 175.856 175.510 0.150 0.000 1.266 186 N CA -0.780 52.368 53.050 0.163 0.000 0.961 186 N CB 0.435 38.999 38.487 0.127 0.000 1.166 186 N HN 0.158 nan 8.380 nan 0.000 0.601 187 S N -0.985 114.784 115.700 0.116 0.000 2.465 187 S HA -0.147 4.323 4.470 0.001 0.000 0.241 187 S C 1.470 176.158 174.600 0.148 0.000 1.000 187 S CA 1.248 59.521 58.200 0.122 0.000 0.964 187 S CB -0.667 62.583 63.200 0.084 0.000 0.763 187 S HN 0.757 nan 8.310 nan 0.000 0.512 188 S N 0.950 116.701 115.700 0.085 0.000 2.478 188 S HA -0.021 4.449 4.470 0.001 0.000 0.222 188 S C 1.690 176.286 174.600 -0.006 0.000 1.008 188 S CA 0.884 59.065 58.200 -0.031 0.000 0.928 188 S CB -0.434 62.725 63.200 -0.068 0.000 0.781 188 S HN 0.627 nan 8.310 nan 0.000 0.518 189 T N -1.681 112.996 114.554 0.206 0.000 3.010 189 T HA 0.351 4.701 4.350 0.001 0.000 0.257 189 T C 0.157 175.195 174.700 0.563 0.000 1.020 189 T CA -0.380 61.939 62.100 0.365 0.000 0.938 189 T CB -0.064 68.975 68.868 0.284 0.000 1.049 189 T HN 0.338 nan 8.240 nan 0.000 0.522 190 K N 2.153 122.770 120.400 0.362 0.000 2.545 190 K HA 0.520 4.841 4.320 0.001 0.000 0.252 190 K C -3.269 173.181 176.600 -0.250 0.000 0.948 190 K CA -2.211 53.983 56.287 -0.154 0.000 0.827 190 K CB 1.924 34.384 32.500 -0.066 0.000 1.128 190 K HN -0.059 nan 8.250 nan 0.000 0.429 191 P HA 0.023 nan 4.420 nan 0.000 0.269 191 P C -0.950 176.130 177.300 -0.366 0.000 1.215 191 P CA -0.377 62.319 63.100 -0.674 0.000 0.780 191 P CB 0.610 31.669 31.700 -1.068 0.000 0.898 192 Q N 2.812 122.498 119.800 -0.190 0.000 2.288 192 Q HA 0.261 4.601 4.340 0.001 0.000 0.254 192 Q C -1.851 174.067 176.000 -0.136 0.000 0.932 192 Q CA -1.581 54.152 55.803 -0.116 0.000 0.902 192 Q CB -0.134 28.576 28.738 -0.047 0.000 1.203 192 Q HN 0.403 nan 8.270 nan 0.000 0.415 193 P HA 0.129 nan 4.420 nan 0.000 0.271 193 P C 0.323 177.583 177.300 -0.067 0.000 1.218 193 P CA 0.209 63.255 63.100 -0.090 0.000 0.780 193 P CB 0.697 32.364 31.700 -0.056 0.000 0.901 194 G N 0.637 109.396 108.800 -0.067 0.000 2.159 194 G HA2 -0.254 3.706 3.960 0.001 0.000 0.256 194 G HA3 -0.254 3.706 3.960 0.001 0.000 0.256 194 G C 0.354 175.225 174.900 -0.049 0.000 0.977 194 G CA 0.265 45.335 45.100 -0.050 0.000 0.652 194 G HN 0.857 nan 8.290 nan 0.000 0.531 195 S N 1.306 116.968 115.700 -0.063 0.000 2.533 195 S HA 0.467 4.938 4.470 0.001 0.000 0.282 195 S C 0.219 174.791 174.600 -0.046 0.000 1.304 195 S CA -0.282 57.889 58.200 -0.049 0.000 1.063 195 S CB 1.215 64.382 63.200 -0.055 0.000 0.881 195 S HN 0.225 nan 8.310 nan 0.000 0.493 196 P HA -0.029 nan 4.420 nan 0.000 0.226 196 P C 0.213 177.497 177.300 -0.027 0.000 1.153 196 P CA 0.749 63.832 63.100 -0.027 0.000 0.777 196 P CB 0.047 31.737 31.700 -0.017 0.000 0.794 197 N N 0.092 118.777 118.700 -0.024 0.000 2.276 197 N HA 0.051 4.792 4.740 0.001 0.000 0.212 197 N C 0.362 175.852 175.510 -0.033 0.000 1.127 197 N CA 0.238 53.278 53.050 -0.017 0.000 0.834 197 N CB 0.446 38.936 38.487 0.005 0.000 1.014 197 N HN 0.273 nan 8.380 nan 0.000 0.491 198 S N -0.187 115.474 115.700 -0.063 0.000 2.599 198 S HA 0.658 5.129 4.470 0.001 0.000 0.294 198 S C -0.515 174.016 174.600 -0.115 0.000 1.094 198 S CA -0.836 57.301 58.200 -0.104 0.000 0.931 198 S CB 2.553 65.660 63.200 -0.154 0.000 1.093 198 S HN 0.112 nan 8.310 nan 0.000 0.488 199 I N 1.095 121.573 120.570 -0.153 0.000 2.466 199 I HA 0.673 4.843 4.170 0.001 0.000 0.289 199 I C -0.782 175.193 176.117 -0.236 0.000 1.026 199 I CA -1.028 60.176 61.300 -0.160 0.000 1.078 199 I CB 1.644 39.559 38.000 -0.141 0.000 1.249 199 I HN 0.962 nan 8.210 nan 0.000 0.429 200 A N 9.360 132.064 122.820 -0.193 0.000 2.690 200 A HA 0.568 4.889 4.320 0.001 0.000 0.342 200 A C -2.373 175.113 177.584 -0.164 0.000 1.410 200 A CA -1.338 50.569 52.037 -0.217 0.000 0.958 200 A CB -0.496 18.428 19.000 -0.127 0.000 1.153 200 A HN 0.546 nan 8.150 nan 0.000 0.497 201 P HA 0.231 nan 4.420 nan 0.000 0.265 201 P C 0.235 177.610 177.300 0.126 0.000 1.193 201 P CA 0.258 63.301 63.100 -0.096 0.000 0.765 201 P CB 0.881 32.482 31.700 -0.165 0.000 0.823 202 A N 5.385 128.273 122.820 0.114 0.000 2.313 202 A HA 0.478 4.798 4.320 0.001 0.000 0.261 202 A C -2.063 175.607 177.584 0.144 0.000 1.090 202 A CA -1.395 50.724 52.037 0.136 0.000 0.807 202 A CB -1.264 17.753 19.000 0.028 0.000 1.055 202 A HN 0.418 nan 8.150 nan 0.000 0.492 203 P HA 0.397 nan 4.420 nan 0.000 0.267 203 P C 0.674 177.813 177.300 -0.269 0.000 1.200 203 P CA 1.763 64.600 63.100 -0.438 0.000 0.772 203 P CB 0.470 31.958 31.700 -0.353 0.000 0.855 204 G N 0.851 109.430 108.800 -0.368 0.000 2.384 204 G HA2 -0.074 3.886 3.960 0.001 0.000 0.204 204 G HA3 -0.074 3.886 3.960 0.001 0.000 0.204 204 G C -0.839 173.500 174.900 -0.935 0.000 1.237 204 G CA -0.867 43.937 45.100 -0.493 0.000 1.060 204 G HN 0.683 nan 8.290 nan 0.000 0.514 205 R N -0.248 119.665 120.500 -0.978 0.000 2.522 205 R HA 0.463 4.804 4.340 0.001 0.000 0.284 205 R C 0.159 176.147 176.300 -0.519 0.000 1.032 205 R CA 0.260 55.859 56.100 -0.835 0.000 1.049 205 R CB 0.343 30.436 30.300 -0.345 0.000 0.956 205 R HN 0.784 nan 8.270 nan 0.000 0.422 206 V N 7.181 126.705 119.914 -0.650 0.000 2.407 206 V HA 0.428 4.549 4.120 0.001 0.000 0.278 206 V C 0.005 175.825 176.094 -0.457 0.000 1.037 206 V CA -0.530 61.444 62.300 -0.544 0.000 0.900 206 V CB 1.008 32.358 31.823 -0.787 0.000 0.983 206 V HN 0.610 nan 8.190 nan 0.000 0.459 207 L N 3.400 124.496 121.223 -0.212 0.000 2.409 207 L HA 0.798 5.139 4.340 0.001 0.000 0.262 207 L C 0.879 177.719 176.870 -0.049 0.000 0.992 207 L CA -0.232 54.542 54.840 -0.109 0.000 0.817 207 L CB 2.133 44.140 42.059 -0.087 0.000 1.350 207 L HN 0.777 nan 8.230 nan 0.000 0.411 208 G N 1.204 109.998 108.800 -0.011 0.000 2.175 208 G HA2 -0.247 3.713 3.960 0.001 0.000 0.244 208 G HA3 -0.247 3.713 3.960 0.001 0.000 0.244 208 G C 0.622 175.523 174.900 0.001 0.000 0.982 208 G CA 0.341 45.438 45.100 -0.006 0.000 0.641 208 G HN 0.508 nan 8.290 nan 0.000 0.527 209 L N 1.271 122.509 121.223 0.026 0.000 2.362 209 L HA -0.012 4.328 4.340 0.001 0.000 0.219 209 L C 2.493 179.372 176.870 0.015 0.000 1.134 209 L CA 1.420 56.273 54.840 0.022 0.000 0.807 209 L CB -0.423 41.684 42.059 0.080 0.000 0.927 209 L HN 0.579 nan 8.230 nan 0.000 0.447 210 N N -0.701 118.009 118.700 0.016 0.000 2.461 210 N HA -0.086 4.654 4.740 0.001 0.000 0.188 210 N C 1.011 176.521 175.510 -0.000 0.000 1.134 210 N CA 1.241 54.289 53.050 -0.004 0.000 0.878 210 N CB -0.105 38.373 38.487 -0.015 0.000 0.972 210 N HN 0.352 nan 8.380 nan 0.000 0.456 211 T N -5.453 109.102 114.554 0.002 0.000 3.328 211 T HA 0.103 4.454 4.350 0.001 0.000 0.305 211 T C 0.321 175.021 174.700 -0.001 0.000 0.939 211 T CA -0.426 61.675 62.100 0.002 0.000 0.950 211 T CB -0.243 68.626 68.868 0.002 0.000 1.182 211 T HN 0.016 nan 8.240 nan 0.000 0.545 212 T N 1.033 115.584 114.554 -0.005 0.000 2.900 212 T HA 0.298 4.648 4.350 0.001 0.000 0.307 212 T C 1.156 175.854 174.700 -0.003 0.000 1.065 212 T CA -0.026 62.068 62.100 -0.012 0.000 1.105 212 T CB 0.710 69.563 68.868 -0.025 0.000 0.979 212 T HN 0.208 nan 8.240 nan 0.000 0.544 213 S N 2.165 117.861 115.700 -0.006 0.000 2.548 213 S HA 0.362 4.832 4.470 0.001 0.000 0.215 213 S C 0.895 175.496 174.600 0.003 0.000 0.976 213 S CA -0.092 58.108 58.200 0.001 0.000 0.908 213 S CB -0.100 63.099 63.200 -0.002 0.000 0.781 213 S HN 0.929 nan 8.310 nan 0.000 0.519 214 A N 1.703 124.518 122.820 -0.007 0.000 2.448 214 A HA 0.376 4.696 4.320 0.001 0.000 0.239 214 A C 1.215 178.811 177.584 0.020 0.000 1.080 214 A CA 0.247 52.279 52.037 -0.009 0.000 0.779 214 A CB 0.189 19.164 19.000 -0.041 0.000 1.026 214 A HN 0.411 nan 8.150 nan 0.000 0.499 215 S N -0.903 114.819 115.700 0.036 0.000 2.540 215 S HA 0.266 4.737 4.470 0.001 0.000 0.222 215 S C 0.217 174.893 174.600 0.125 0.000 1.008 215 S CA 0.478 58.730 58.200 0.087 0.000 0.939 215 S CB 0.176 63.431 63.200 0.093 0.000 0.865 215 S HN 0.680 nan 8.310 nan 0.000 0.499 216 T N 2.117 116.698 114.554 0.044 0.000 2.949 216 T HA 0.541 4.892 4.350 0.001 0.000 0.300 216 T C -1.034 173.578 174.700 -0.147 0.000 0.988 216 T CA -0.435 61.652 62.100 -0.021 0.000 0.993 216 T CB 1.836 70.635 68.868 -0.114 0.000 0.984 216 T HN 0.066 nan 8.240 nan 0.000 0.442 217 V N 4.025 123.835 119.914 -0.172 0.000 2.407 217 V HA 0.510 4.630 4.120 0.001 0.000 0.278 217 V C -0.133 175.699 176.094 -0.436 0.000 1.037 217 V CA -0.610 61.495 62.300 -0.326 0.000 0.900 217 V CB 1.593 33.223 31.823 -0.322 0.000 0.983 217 V HN 0.701 nan 8.190 nan 0.000 0.459 218 V N 5.739 125.353 119.914 -0.501 0.000 2.407 218 V HA 0.459 4.579 4.120 0.001 0.000 0.291 218 V C -0.761 175.036 176.094 -0.495 0.000 1.018 218 V CA -0.451 61.635 62.300 -0.357 0.000 0.842 218 V CB 1.345 33.031 31.823 -0.229 0.000 0.996 218 V HN 0.664 nan 8.190 nan 0.000 0.426 219 F N 4.075 123.833 119.950 -0.320 0.000 2.334 219 F HA 0.469 4.997 4.527 0.001 0.000 0.367 219 F C 0.908 176.597 175.800 -0.186 0.000 1.115 219 F CA -0.437 57.272 58.000 -0.484 0.000 1.116 219 F CB 0.722 39.272 39.000 -0.752 0.000 1.230 219 F HN 0.443 nan 8.300 nan 0.000 0.484 220 N N 3.850 122.642 118.700 0.155 0.000 2.379 220 N HA 0.270 5.011 4.740 0.001 0.000 0.260 220 N C -2.535 173.154 175.510 0.297 0.000 1.254 220 N CA -1.580 51.592 53.050 0.203 0.000 0.958 220 N CB 0.391 38.973 38.487 0.158 0.000 1.208 220 N HN 0.132 nan 8.380 nan 0.000 0.532 221 P HA 0.045 nan 4.420 nan 0.000 0.261 221 P C 0.030 177.456 177.300 0.210 0.000 1.165 221 P CA 0.971 64.166 63.100 0.158 0.000 0.759 221 P CB 0.019 31.769 31.700 0.084 0.000 0.772 222 G N 0.793 109.736 108.800 0.238 0.000 2.359 222 G HA2 0.195 4.155 3.960 0.001 0.000 0.314 222 G HA3 0.195 4.155 3.960 0.001 0.000 0.314 222 G C -1.634 173.266 174.900 -0.001 0.000 1.364 222 G CA -0.854 44.281 45.100 0.060 0.000 0.978 222 G HN 0.348 nan 8.290 nan 0.000 0.615 223 V N 0.668 120.442 119.914 -0.234 0.000 2.427 223 V HA 0.749 4.870 4.120 0.001 0.000 0.286 223 V C -0.608 175.253 176.094 -0.390 0.000 1.034 223 V CA -0.432 61.795 62.300 -0.123 0.000 0.893 223 V CB 0.748 32.541 31.823 -0.052 0.000 0.982 223 V HN 0.661 nan 8.190 nan 0.000 0.452 224 Y N 3.945 124.307 120.300 0.104 0.000 2.576 224 Y HA 0.818 5.368 4.550 0.001 0.000 0.346 224 Y C -0.499 175.438 175.900 0.063 0.000 1.018 224 Y CA -1.291 56.793 58.100 -0.027 0.000 1.050 224 Y CB 2.076 40.493 38.460 -0.072 0.000 1.280 224 Y HN 0.710 nan 8.280 nan 0.000 0.474 225 Y N -1.171 119.177 120.300 0.081 0.000 2.521 225 Y HA 0.740 5.290 4.550 0.001 0.000 0.328 225 Y C -2.114 173.713 175.900 -0.123 0.000 1.151 225 Y CA -2.187 55.945 58.100 0.054 0.000 1.054 225 Y CB 0.434 38.906 38.460 0.019 0.000 1.338 225 Y HN 0.393 nan 8.280 nan 0.000 0.453 226 F N 0.745 120.776 119.950 0.134 0.000 2.476 226 F HA 0.814 5.342 4.527 0.001 0.000 0.358 226 F C 0.820 176.631 175.800 0.018 0.000 1.091 226 F CA -0.521 57.501 58.000 0.038 0.000 1.131 226 F CB 0.991 40.006 39.000 0.025 0.000 1.653 226 F HN 0.643 nan 8.300 nan 0.000 0.518 227 T N -1.267 113.272 114.554 -0.024 0.000 2.819 227 T HA 0.399 4.749 4.350 0.001 0.000 0.271 227 T C 0.995 175.518 174.700 -0.295 0.000 0.986 227 T CA -0.084 61.864 62.100 -0.253 0.000 0.989 227 T CB 0.752 69.170 68.868 -0.750 0.000 1.396 227 T HN 0.655 nan 8.240 nan 0.000 0.597 228 G N 0.009 108.672 108.800 -0.228 0.000 2.920 228 G HA2 -0.006 3.955 3.960 0.001 0.000 0.208 228 G HA3 -0.006 3.955 3.960 0.001 0.000 0.208 228 G C 0.671 175.644 174.900 0.120 0.000 1.159 228 G CA 0.013 45.063 45.100 -0.083 0.000 0.784 228 G HN 0.892 nan 8.290 nan 0.000 0.535 229 H N -1.236 117.778 119.070 -0.093 0.000 2.591 229 H HA 0.491 5.047 4.556 0.001 0.000 0.241 229 H C -1.381 173.510 175.328 -0.728 0.000 1.292 229 H CA -0.442 55.432 56.048 -0.290 0.000 1.022 229 H CB 0.510 30.299 29.762 0.045 0.000 1.875 229 H HN 0.122 nan 8.280 nan 0.000 0.570 230 D N 1.301 120.973 120.400 -1.213 0.000 2.898 230 D HA 0.097 4.737 4.640 0.001 0.000 0.254 230 D C -1.323 174.945 176.300 -0.054 0.000 1.107 230 D CA -0.379 53.273 54.000 -0.579 0.000 0.729 230 D CB 1.022 41.742 40.800 -0.133 0.000 1.734 230 D HN 0.544 nan 8.370 nan 0.000 0.452 231 H N 1.116 120.163 119.070 -0.038 0.000 2.941 231 H HA 0.412 4.969 4.556 0.001 0.000 0.344 231 H C -0.716 174.381 175.328 -0.385 0.000 1.235 231 H CA -1.219 54.717 56.048 -0.187 0.000 1.149 231 H CB 0.813 30.473 29.762 -0.169 0.000 1.885 231 H HN 0.443 nan 8.280 nan 0.000 0.558 232 M N 2.809 121.822 119.600 -0.978 0.000 3.268 232 M HA 0.166 4.646 4.480 0.001 0.000 0.249 232 M C -1.132 174.897 176.300 -0.451 0.000 1.527 232 M CA -0.321 54.496 55.300 -0.804 0.000 1.645 232 M CB -0.827 31.282 32.600 -0.818 0.000 1.193 232 M HN 0.294 nan 8.290 nan 0.000 0.534 233 V N 5.918 125.569 119.914 -0.437 0.000 2.455 233 V HA 0.185 4.306 4.120 0.001 0.000 0.273 233 V C 0.257 176.260 176.094 -0.152 0.000 1.045 233 V CA -0.289 61.816 62.300 -0.325 0.000 0.976 233 V CB 0.691 32.334 31.823 -0.298 0.000 0.993 233 V HN 0.654 nan 8.190 nan 0.000 0.475 234 L N 5.026 126.166 121.223 -0.137 0.000 2.307 234 L HA 0.454 4.795 4.340 0.001 0.000 0.282 234 L C 0.900 177.769 176.870 -0.002 0.000 1.051 234 L CA -0.260 54.547 54.840 -0.054 0.000 0.804 234 L CB 1.648 43.671 42.059 -0.059 0.000 1.197 234 L HN 0.782 nan 8.230 nan 0.000 0.431 235 S N 0.418 116.127 115.700 0.015 0.000 2.576 235 S HA -0.021 4.449 4.470 0.001 0.000 0.272 235 S C 1.285 175.916 174.600 0.052 0.000 1.352 235 S CA -0.161 58.053 58.200 0.024 0.000 1.021 235 S CB 1.040 64.252 63.200 0.019 0.000 0.887 235 S HN 0.771 nan 8.310 nan 0.000 0.542 236 S N 0.673 116.398 115.700 0.042 0.000 2.440 236 S HA -0.156 4.315 4.470 0.001 0.000 0.238 236 S C 1.808 176.447 174.600 0.065 0.000 1.010 236 S CA 1.125 59.356 58.200 0.052 0.000 0.972 236 S CB -0.976 62.243 63.200 0.031 0.000 0.774 236 S HN 0.898 nan 8.310 nan 0.000 0.501 237 S N 0.432 116.166 115.700 0.057 0.000 2.453 237 S HA 0.105 4.576 4.470 0.001 0.000 0.231 237 S C 0.575 175.228 174.600 0.088 0.000 1.005 237 S CA 0.021 58.256 58.200 0.059 0.000 0.949 237 S CB -0.438 62.786 63.200 0.039 0.000 0.774 237 S HN 0.370 nan 8.310 nan 0.000 0.510 238 V N 3.048 123.032 119.914 0.116 0.000 2.455 238 V HA 0.272 4.393 4.120 0.001 0.000 0.273 238 V C 1.248 177.503 176.094 0.268 0.000 1.045 238 V CA 0.605 63.009 62.300 0.174 0.000 0.976 238 V CB 0.944 32.863 31.823 0.160 0.000 0.993 238 V HN 0.630 nan 8.190 nan 0.000 0.475 239 T N 0.106 114.822 114.554 0.270 0.000 3.043 239 T HA 0.158 4.508 4.350 0.001 0.000 0.272 239 T C -0.324 174.601 174.700 0.374 0.000 0.990 239 T CA -0.206 62.046 62.100 0.253 0.000 0.897 239 T CB 0.243 69.198 68.868 0.144 0.000 1.111 239 T HN 0.507 nan 8.240 nan 0.000 0.529 240 W N 1.503 122.934 121.300 0.220 0.000 3.211 240 W HA 0.629 5.289 4.660 0.001 0.000 0.335 240 W C -2.367 174.292 176.519 0.233 0.000 1.113 240 W CA -1.925 55.557 57.345 0.228 0.000 1.235 240 W CB 1.601 31.136 29.460 0.126 0.000 1.365 240 W HN -0.073 nan 8.180 nan 0.000 0.476 241 V N 7.346 127.709 119.914 0.748 0.000 2.444 241 V HA 0.334 4.454 4.120 0.001 0.000 0.294 241 V C -1.297 175.000 176.094 0.339 0.000 1.022 241 V CA -0.891 61.614 62.300 0.341 0.000 0.850 241 V CB 1.360 33.414 31.823 0.386 0.000 0.992 241 V HN 0.344 nan 8.190 nan 0.000 0.426 242 Y N 5.433 125.616 120.300 -0.195 0.000 2.341 242 Y HA 0.741 5.292 4.550 0.001 0.000 0.338 242 Y C -1.278 174.516 175.900 -0.176 0.000 0.965 242 Y CA -1.614 56.429 58.100 -0.095 0.000 1.108 242 Y CB 1.602 39.865 38.460 -0.328 0.000 1.180 242 Y HN 0.532 nan 8.280 nan 0.000 0.458 243 F N 5.489 125.161 119.950 -0.463 0.000 2.382 243 F HA 0.672 5.200 4.527 0.001 0.000 0.361 243 F C 0.490 175.823 175.800 -0.778 0.000 1.109 243 F CA -0.830 56.940 58.000 -0.384 0.000 1.031 243 F CB 0.752 39.667 39.000 -0.141 0.000 1.234 243 F HN 0.706 nan 8.300 nan 0.000 0.445 244 A N 4.572 126.995 122.820 -0.661 0.000 2.425 244 A HA 0.504 4.824 4.320 0.001 0.000 0.242 244 A C -2.490 174.914 177.584 -0.300 0.000 1.077 244 A CA -1.402 50.347 52.037 -0.480 0.000 0.781 244 A CB -0.179 18.790 19.000 -0.051 0.000 1.020 244 A HN 0.434 nan 8.150 nan 0.000 0.494 245 P HA 0.298 nan 4.420 nan 0.000 0.267 245 P C 0.878 177.577 177.300 -1.002 0.000 1.209 245 P CA 1.858 64.369 63.100 -0.982 0.000 0.763 245 P CB 0.748 31.871 31.700 -0.962 0.000 0.816 246 G N 2.182 110.234 108.800 -1.246 0.000 2.179 246 G HA2 -0.089 3.872 3.960 0.001 0.000 0.220 246 G HA3 -0.089 3.872 3.960 0.001 0.000 0.220 246 G C 0.244 175.155 174.900 0.018 0.000 0.990 246 G CA -0.055 44.708 45.100 -0.563 0.000 0.646 246 G HN 0.817 nan 8.290 nan 0.000 0.517 247 A N -0.293 122.568 122.820 0.068 0.000 2.301 247 A HA 0.776 5.097 4.320 0.001 0.000 0.312 247 A C -0.901 176.906 177.584 0.371 0.000 1.182 247 A CA -0.493 51.725 52.037 0.302 0.000 0.826 247 A CB 1.132 20.260 19.000 0.214 0.000 1.134 247 A HN 1.316 nan 8.150 nan 0.000 0.501 248 Y N 2.205 122.668 120.300 0.271 0.000 2.329 248 Y HA 0.515 5.066 4.550 0.001 0.000 0.328 248 Y C -1.150 174.845 175.900 0.159 0.000 0.992 248 Y CA -0.576 57.596 58.100 0.120 0.000 1.151 248 Y CB 1.833 40.242 38.460 -0.084 0.000 1.150 248 Y HN 0.453 nan 8.280 nan 0.000 0.450 249 V N 6.619 126.480 119.914 -0.088 0.000 2.378 249 V HA 0.382 4.502 4.120 0.001 0.000 0.288 249 V C -0.731 175.323 176.094 -0.068 0.000 1.016 249 V CA -1.166 61.122 62.300 -0.020 0.000 0.840 249 V CB 1.524 33.222 31.823 -0.209 0.000 0.994 249 V HN 0.615 nan 8.190 nan 0.000 0.431 250 K N 3.900 124.379 120.400 0.133 0.000 2.284 250 K HA 0.705 5.025 4.320 0.001 0.000 0.287 250 K C 0.479 177.176 176.600 0.163 0.000 1.081 250 K CA 0.092 56.442 56.287 0.105 0.000 0.910 250 K CB 1.336 33.938 32.500 0.170 0.000 1.088 250 K HN 1.003 nan 8.250 nan 0.000 0.478 251 G N 1.012 109.843 108.800 0.052 0.000 2.344 251 G HA2 0.499 4.460 3.960 0.001 0.000 0.282 251 G HA3 0.499 4.460 3.960 0.001 0.000 0.282 251 G C -1.927 173.019 174.900 0.077 0.000 1.281 251 G CA -0.393 44.769 45.100 0.103 0.000 0.877 251 G HN 0.610 nan 8.290 nan 0.000 0.494 252 A N -1.280 121.488 122.820 -0.087 0.000 2.515 252 A HA 0.937 5.258 4.320 0.001 0.000 0.298 252 A C -0.550 176.877 177.584 -0.262 0.000 1.059 252 A CA 0.038 51.941 52.037 -0.223 0.000 0.698 252 A CB 1.678 20.521 19.000 -0.262 0.000 1.289 252 A HN 2.296 nan 8.150 nan 0.000 0.404 253 V N -0.041 119.678 119.914 -0.325 0.000 2.547 253 V HA 0.873 4.994 4.120 0.001 0.000 0.299 253 V C -0.447 175.521 176.094 -0.210 0.000 1.040 253 V CA -0.279 61.869 62.300 -0.253 0.000 0.913 253 V CB 1.499 33.222 31.823 -0.167 0.000 0.992 253 V HN 1.019 nan 8.190 nan 0.000 0.449 254 E N 4.550 124.583 120.200 -0.279 0.000 2.302 254 E HA 0.444 4.794 4.350 0.001 0.000 0.263 254 E C -1.708 174.714 176.600 -0.296 0.000 0.897 254 E CA -0.638 55.623 56.400 -0.232 0.000 0.809 254 E CB 1.272 30.954 29.700 -0.031 0.000 1.270 254 E HN 0.703 nan 8.360 nan 0.000 0.410 255 F N 3.675 123.520 119.950 -0.175 0.000 2.399 255 F HA 0.256 4.783 4.527 0.001 0.000 0.342 255 F C 1.209 176.916 175.800 -0.155 0.000 1.106 255 F CA -0.435 57.494 58.000 -0.119 0.000 1.196 255 F CB 0.801 39.743 39.000 -0.096 0.000 1.163 255 F HN 0.515 nan 8.300 nan 0.000 0.547 256 L N 0.641 121.922 121.223 0.097 0.000 2.609 256 L HA 0.120 4.460 4.340 0.001 0.000 0.230 256 L C 1.035 177.930 176.870 0.041 0.000 1.087 256 L CA 0.114 54.969 54.840 0.025 0.000 0.874 256 L CB 0.127 42.193 42.059 0.010 0.000 1.114 256 L HN 0.613 nan 8.230 nan 0.000 0.488 257 S N 0.314 116.072 115.700 0.096 0.000 2.549 257 S HA 0.024 4.494 4.470 0.001 0.000 0.286 257 S C 1.129 175.751 174.600 0.036 0.000 1.314 257 S CA 0.123 58.367 58.200 0.073 0.000 1.062 257 S CB 0.615 63.880 63.200 0.108 0.000 0.865 257 S HN 0.385 nan 8.310 nan 0.000 0.498 258 T N 2.132 116.701 114.554 0.025 0.000 3.174 258 T HA 0.568 4.919 4.350 0.001 0.000 0.269 258 T C 0.526 175.237 174.700 0.018 0.000 1.017 258 T CA 0.016 62.128 62.100 0.020 0.000 0.899 258 T CB -0.037 68.838 68.868 0.012 0.000 1.077 258 T HN 0.758 nan 8.240 nan 0.000 0.552 259 A N 1.870 124.701 122.820 0.018 0.000 2.429 259 A HA 0.479 4.799 4.320 0.001 0.000 0.242 259 A C 1.943 179.528 177.584 0.001 0.000 1.088 259 A CA 0.198 52.241 52.037 0.011 0.000 0.784 259 A CB -0.001 19.010 19.000 0.018 0.000 1.038 259 A HN 0.702 nan 8.150 nan 0.000 0.501 260 S N -0.646 115.050 115.700 -0.008 0.000 2.440 260 S HA -0.103 4.368 4.470 0.001 0.000 0.238 260 S C 0.507 175.089 174.600 -0.030 0.000 1.010 260 S CA 1.546 59.734 58.200 -0.019 0.000 0.972 260 S CB -0.264 62.922 63.200 -0.024 0.000 0.774 260 S HN 0.864 nan 8.310 nan 0.000 0.501 261 E N -0.152 120.029 120.200 -0.033 0.000 2.335 261 E HA 0.485 4.835 4.350 0.001 0.000 0.280 261 E C -1.559 175.004 176.600 -0.063 0.000 0.918 261 E CA -0.943 55.425 56.400 -0.054 0.000 0.765 261 E CB 2.307 31.958 29.700 -0.082 0.000 1.218 261 E HN 0.231 nan 8.360 nan 0.000 0.425 262 V N 1.032 120.888 119.914 -0.097 0.000 2.735 262 V HA 0.767 4.887 4.120 0.001 0.000 0.310 262 V C -0.785 175.242 176.094 -0.111 0.000 1.061 262 V CA -0.843 61.323 62.300 -0.223 0.000 0.913 262 V CB 1.618 33.017 31.823 -0.707 0.000 1.005 262 V HN 0.726 nan 8.190 nan 0.000 0.428 263 K N 2.755 123.171 120.400 0.028 0.000 2.464 263 K HA 0.888 5.208 4.320 0.001 0.000 0.253 263 K C -1.156 175.745 176.600 0.502 0.000 0.933 263 K CA -0.384 55.967 56.287 0.107 0.000 0.801 263 K CB 2.387 34.723 32.500 -0.273 0.000 1.271 263 K HN 1.309 nan 8.250 nan 0.000 0.430 264 A N 2.319 125.395 122.820 0.428 0.000 2.357 264 A HA 0.604 4.925 4.320 0.001 0.000 0.295 264 A C -1.006 176.802 177.584 0.372 0.000 1.121 264 A CA -0.484 51.913 52.037 0.600 0.000 0.742 264 A CB 0.972 20.308 19.000 0.561 0.000 1.181 264 A HN 0.805 nan 8.150 nan 0.000 0.454 265 S N 1.229 117.285 115.700 0.594 0.000 2.720 265 S HA 0.996 5.467 4.470 0.001 0.000 0.287 265 S C 0.053 174.942 174.600 0.482 0.000 1.168 265 S CA -0.266 58.204 58.200 0.449 0.000 0.832 265 S CB 1.175 64.664 63.200 0.481 0.000 1.166 265 S HN 2.668 nan 8.310 nan 0.000 0.493 266 G N 0.041 109.024 108.800 0.305 0.000 2.587 266 G HA2 0.140 4.101 3.960 0.001 0.000 0.686 266 G HA3 0.140 4.101 3.960 0.001 0.000 0.686 266 G C -0.925 173.953 174.900 -0.037 0.000 1.236 266 G CA -0.560 44.626 45.100 0.143 0.000 0.820 266 G HN 1.036 nan 8.290 nan 0.000 0.645 267 H N 0.204 119.300 119.070 0.043 0.000 2.524 267 H HA 0.466 5.022 4.556 0.001 0.000 0.299 267 H C 1.523 176.864 175.328 0.022 0.000 1.074 267 H CA 0.703 56.798 56.048 0.078 0.000 1.115 267 H CB 0.376 30.238 29.762 0.165 0.000 1.522 267 H HN 0.800 nan 8.280 nan 0.000 0.543 268 G N -0.166 108.657 108.800 0.038 0.000 2.543 268 G HA2 0.404 4.365 3.960 0.001 0.000 0.290 268 G HA3 0.404 4.365 3.960 0.001 0.000 0.290 268 G C -0.633 174.267 174.900 0.000 0.000 1.310 268 G CA -0.419 44.704 45.100 0.038 0.000 1.025 268 G HN 0.149 nan 8.290 nan 0.000 0.502 269 V N 0.106 119.981 119.914 -0.066 0.000 2.513 269 V HA 0.443 4.563 4.120 0.001 0.000 0.299 269 V C -0.595 175.210 176.094 -0.482 0.000 1.035 269 V CA -0.665 61.468 62.300 -0.278 0.000 0.889 269 V CB 1.521 33.111 31.823 -0.389 0.000 0.988 269 V HN 0.566 nan 8.190 nan 0.000 0.440 270 L N 4.406 125.319 121.223 -0.518 0.000 2.318 270 L HA 0.683 5.023 4.340 0.001 0.000 0.277 270 L C -0.126 176.513 176.870 -0.385 0.000 1.008 270 L CA 0.426 54.953 54.840 -0.521 0.000 0.846 270 L CB 1.442 43.097 42.059 -0.674 0.000 1.220 270 L HN 0.670 nan 8.230 nan 0.000 0.423 271 S N 2.719 118.207 115.700 -0.354 0.000 2.473 271 S HA 0.711 5.181 4.470 0.001 0.000 0.307 271 S C 0.686 175.254 174.600 -0.054 0.000 1.094 271 S CA -0.119 57.969 58.200 -0.187 0.000 1.070 271 S CB 1.317 64.408 63.200 -0.181 0.000 1.019 271 S HN 0.852 nan 8.310 nan 0.000 0.480 272 G N 2.917 111.741 108.800 0.039 0.000 3.609 272 G HA2 0.138 4.098 3.960 0.001 0.000 0.280 272 G HA3 0.138 4.098 3.960 0.001 0.000 0.280 272 G C 0.906 175.873 174.900 0.111 0.000 1.155 272 G CA -0.104 45.093 45.100 0.161 0.000 0.876 272 G HN 0.897 nan 8.290 nan 0.000 0.535 273 E N -0.077 120.167 120.200 0.072 0.000 2.331 273 E HA -0.225 4.125 4.350 0.001 0.000 0.199 273 E C 1.627 178.245 176.600 0.030 0.000 1.008 273 E CA 0.798 57.262 56.400 0.107 0.000 0.843 273 E CB -0.134 29.647 29.700 0.134 0.000 0.761 273 E HN 0.545 nan 8.360 nan 0.000 0.507 274 Q N -0.260 119.436 119.800 -0.175 0.000 2.424 274 Q HA 0.034 4.375 4.340 0.001 0.000 0.204 274 Q C -0.346 175.512 176.000 -0.237 0.000 0.933 274 Q CA 0.241 55.893 55.803 -0.251 0.000 0.929 274 Q CB 0.198 28.706 28.738 -0.383 0.000 1.037 274 Q HN 0.328 nan 8.270 nan 0.000 0.511 275 Y N 0.645 121.022 120.300 0.129 0.000 2.308 275 Y HA 0.189 4.740 4.550 0.001 0.000 0.329 275 Y C 0.601 176.601 175.900 0.166 0.000 1.111 275 Y CA -1.651 56.526 58.100 0.129 0.000 1.179 275 Y CB 0.462 38.983 38.460 0.101 0.000 1.201 275 Y HN -0.200 nan 8.280 nan 0.000 0.483 276 V N -0.347 119.738 119.914 0.285 0.000 3.185 276 V HA 0.105 4.225 4.120 0.001 0.000 0.305 276 V C -0.050 176.101 176.094 0.096 0.000 1.090 276 V CA -1.522 60.902 62.300 0.207 0.000 1.107 276 V CB 0.409 32.331 31.823 0.164 0.000 1.061 276 V HN 0.863 nan 8.190 nan 0.000 0.480 277 W N 2.913 124.014 121.300 -0.331 0.000 2.257 277 W HA 0.252 4.913 4.660 0.001 0.000 0.337 277 W C 0.226 176.585 176.519 -0.266 0.000 1.321 277 W CA 0.198 57.196 57.345 -0.578 0.000 1.267 277 W CB -0.467 28.395 29.460 -0.997 0.000 1.187 277 W HN 0.782 nan 8.180 nan 0.000 0.565 278 Y N 2.367 122.015 120.300 -1.088 0.000 3.689 278 Y HA -0.256 4.295 4.550 0.001 0.000 0.221 278 Y C 0.641 176.127 175.900 -0.690 0.000 1.247 278 Y CA 0.280 57.670 58.100 -1.183 0.000 1.671 278 Y CB -1.693 35.839 38.460 -1.548 0.000 1.521 278 Y HN 0.638 nan 8.280 nan 0.000 0.632 279 A N 1.242 123.899 122.820 -0.272 0.000 2.522 279 A HA 0.311 4.632 4.320 0.001 0.000 0.256 279 A C 0.314 177.734 177.584 -0.273 0.000 1.086 279 A CA 0.439 52.386 52.037 -0.150 0.000 0.763 279 A CB 0.086 19.102 19.000 0.027 0.000 1.024 279 A HN 0.378 nan 8.150 nan 0.000 0.502 280 D N 3.788 124.025 120.400 -0.270 0.000 2.373 280 D HA 0.360 5.001 4.640 0.001 0.000 0.227 280 D C -1.866 174.125 176.300 -0.515 0.000 1.091 280 D CA -1.961 51.827 54.000 -0.354 0.000 0.840 280 D CB 1.617 42.249 40.800 -0.280 0.000 1.060 280 D HN 0.136 nan 8.370 nan 0.000 0.502 281 P HA -0.108 nan 4.420 nan 0.000 0.216 281 P C 0.512 177.452 177.300 -0.600 0.000 1.150 281 P CA 0.970 63.414 63.100 -1.093 0.000 0.843 281 P CB 0.383 31.660 31.700 -0.706 0.000 0.787 282 D N -0.794 119.393 120.400 -0.356 0.000 2.347 282 D HA -0.069 4.572 4.640 0.001 0.000 0.215 282 D C 0.728 176.927 176.300 -0.167 0.000 0.976 282 D CA 0.843 54.719 54.000 -0.207 0.000 0.884 282 D CB -0.203 40.501 40.800 -0.159 0.000 0.915 282 D HN 0.370 nan 8.370 nan 0.000 0.526 283 E N -0.176 119.904 120.200 -0.199 0.000 2.815 283 E HA 0.333 4.684 4.350 0.001 0.000 0.211 283 E C 0.455 177.003 176.600 -0.086 0.000 1.004 283 E CA -0.382 55.941 56.400 -0.128 0.000 1.173 283 E CB 0.670 30.289 29.700 -0.135 0.000 1.163 283 E HN 0.100 nan 8.360 nan 0.000 0.449 284 G N 1.102 109.856 108.800 -0.077 0.000 2.273 284 G HA2 -0.364 3.597 3.960 0.001 0.000 0.280 284 G HA3 -0.364 3.597 3.960 0.001 0.000 0.280 284 G C 0.110 175.152 174.900 0.238 0.000 1.047 284 G CA 0.525 45.682 45.100 0.094 0.000 0.869 284 G HN 0.534 nan 8.290 nan 0.000 0.502 285 Y N -3.377 116.937 120.300 0.023 0.000 4.177 285 Y HA -0.222 4.328 4.550 0.001 0.000 0.227 285 Y C 1.222 177.141 175.900 0.033 0.000 1.154 285 Y CA 1.470 59.588 58.100 0.031 0.000 1.887 285 Y CB -1.787 36.764 38.460 0.151 0.000 1.594 285 Y HN 0.739 nan 8.280 nan 0.000 0.668 286 Q N 0.903 120.737 119.800 0.056 0.000 2.193 286 Q HA 0.397 4.737 4.340 0.001 0.000 0.246 286 Q C 0.176 176.141 176.000 -0.059 0.000 0.959 286 Q CA -0.989 54.831 55.803 0.028 0.000 0.904 286 Q CB 0.775 29.516 28.738 0.004 0.000 1.238 286 Q HN 0.219 nan 8.270 nan 0.000 0.469 287 K N 1.143 121.503 120.400 -0.067 0.000 2.472 287 K HA 0.201 4.522 4.320 0.001 0.000 0.280 287 K C -0.733 175.714 176.600 -0.255 0.000 1.028 287 K CA 0.060 56.244 56.287 -0.173 0.000 1.045 287 K CB 0.195 32.619 32.500 -0.127 0.000 0.902 287 K HN 0.689 nan 8.250 nan 0.000 0.478 288 A N 3.982 126.561 122.820 -0.402 0.000 2.613 288 A HA -0.060 4.260 4.320 0.001 0.000 0.230 288 A C 1.153 178.512 177.584 -0.376 0.000 1.051 288 A CA 0.535 52.308 52.037 -0.441 0.000 0.754 288 A CB 0.153 18.730 19.000 -0.705 0.000 0.979 288 A HN 0.961 nan 8.150 nan 0.000 0.510 289 S N 0.887 116.429 115.700 -0.262 0.000 2.383 289 S HA 0.120 4.591 4.470 0.001 0.000 0.227 289 S C 1.149 175.633 174.600 -0.193 0.000 1.026 289 S CA 1.444 59.533 58.200 -0.185 0.000 0.981 289 S CB 0.021 63.144 63.200 -0.130 0.000 0.818 289 S HN 1.582 nan 8.310 nan 0.000 0.472 290 G N -0.536 108.118 108.800 -0.243 0.000 4.101 290 G HA2 0.511 4.472 3.960 0.001 0.000 0.262 290 G HA3 0.511 4.472 3.960 0.001 0.000 0.262 290 G C 0.028 174.789 174.900 -0.232 0.000 1.181 290 G CA -0.033 44.947 45.100 -0.200 0.000 0.640 290 G HN 0.669 nan 8.290 nan 0.000 0.467 291 A N 0.970 123.529 122.820 -0.435 0.000 2.415 291 A HA -0.245 4.075 4.320 0.001 0.000 0.292 291 A C 1.532 179.051 177.584 -0.108 0.000 1.452 291 A CA 1.307 53.130 52.037 -0.357 0.000 0.750 291 A CB -1.575 17.386 19.000 -0.066 0.000 1.099 291 A HN 1.609 nan 8.150 nan 0.000 0.391 292 N N 0.333 118.935 118.700 -0.163 0.000 2.449 292 N HA 0.070 4.810 4.740 0.001 0.000 0.191 292 N C 0.423 175.937 175.510 0.006 0.000 1.161 292 N CA 0.635 53.646 53.050 -0.065 0.000 0.863 292 N CB -0.256 38.166 38.487 -0.109 0.000 0.980 292 N HN 0.997 nan 8.380 nan 0.000 0.458 293 N N -0.282 118.492 118.700 0.124 0.000 2.741 293 N HA -0.205 4.536 4.740 0.001 0.000 0.250 293 N C -1.119 174.370 175.510 -0.036 0.000 1.115 293 N CA 0.840 53.956 53.050 0.111 0.000 0.724 293 N CB -1.746 36.788 38.487 0.078 0.000 1.090 293 N HN 0.423 nan 8.380 nan 0.000 0.558 294 N N -0.510 118.102 118.700 -0.147 0.000 2.275 294 N HA 0.200 4.941 4.740 0.001 0.000 0.236 294 N C 0.522 175.783 175.510 -0.415 0.000 1.154 294 N CA 0.484 53.403 53.050 -0.218 0.000 0.866 294 N CB 0.462 38.844 38.487 -0.175 0.000 1.093 294 N HN 0.416 nan 8.380 nan 0.000 0.515 295 G N 1.080 109.314 108.800 -0.943 0.000 2.340 295 G HA2 0.135 4.095 3.960 0.001 0.000 0.245 295 G HA3 0.135 4.095 3.960 0.001 0.000 0.245 295 G C 0.264 174.859 174.900 -0.507 0.000 1.294 295 G CA -0.310 44.072 45.100 -1.197 0.000 0.896 295 G HN 0.243 nan 8.290 nan 0.000 0.522 296 L N 2.013 122.984 121.223 -0.420 0.000 2.601 296 L HA 0.194 4.535 4.340 0.001 0.000 0.277 296 L C 0.798 177.541 176.870 -0.212 0.000 1.219 296 L CA 0.130 54.747 54.840 -0.372 0.000 0.915 296 L CB 0.170 41.908 42.059 -0.536 0.000 1.160 296 L HN 0.477 nan 8.230 nan 0.000 0.494 297 R N 4.289 124.691 120.500 -0.163 0.000 2.500 297 R HA 0.317 4.657 4.340 0.001 0.000 0.275 297 R C 1.015 177.221 176.300 -0.157 0.000 1.051 297 R CA -0.419 55.641 56.100 -0.067 0.000 1.088 297 R CB 0.759 31.072 30.300 0.021 0.000 1.063 297 R HN 0.625 nan 8.270 nan 0.000 0.511 298 M N 0.163 119.663 119.600 -0.166 0.000 2.349 298 M HA 0.045 4.526 4.480 0.001 0.000 0.266 298 M C -0.371 175.552 176.300 -0.628 0.000 1.076 298 M CA 0.933 55.971 55.300 -0.437 0.000 1.126 298 M CB -0.038 32.262 32.600 -0.500 0.000 1.392 298 M HN 0.444 nan 8.290 nan 0.000 0.440 299 W N 0.641 122.016 121.300 0.126 0.000 2.499 299 W HA 0.520 5.180 4.660 0.001 0.000 0.320 299 W C -0.115 176.477 176.519 0.121 0.000 1.010 299 W CA -0.826 56.633 57.345 0.191 0.000 1.267 299 W CB 1.155 30.850 29.460 0.393 0.000 1.316 299 W HN -0.091 nan 8.180 nan 0.000 0.431 300 R N 2.157 122.688 120.500 0.051 0.000 2.673 300 R HA 0.877 5.217 4.340 0.001 0.000 0.281 300 R C -0.333 175.421 176.300 -0.911 0.000 0.991 300 R CA -0.429 55.492 56.100 -0.299 0.000 0.896 300 R CB 1.738 31.935 30.300 -0.171 0.000 1.201 300 R HN 0.597 nan 8.270 nan 0.000 0.457 301 G N -0.257 107.530 108.800 -1.689 0.000 2.827 301 G HA2 0.586 4.546 3.960 0.001 0.000 0.296 301 G HA3 0.586 4.546 3.960 0.001 0.000 0.296 301 G C -1.484 172.728 174.900 -1.147 0.000 1.362 301 G CA -0.357 43.609 45.100 -1.889 0.000 0.809 301 G HN 0.544 nan 8.290 nan 0.000 0.522 302 T N -0.582 113.567 114.554 -0.676 0.000 3.097 302 T HA 0.539 4.889 4.350 0.001 0.000 0.332 302 T C -1.263 173.411 174.700 -0.044 0.000 1.269 302 T CA -0.525 61.433 62.100 -0.236 0.000 1.076 302 T CB 0.821 69.597 68.868 -0.153 0.000 1.209 302 T HN 1.150 nan 8.240 nan 0.000 0.474 303 L N 2.539 123.783 121.223 0.035 0.000 2.370 303 L HA 1.050 5.390 4.340 0.001 0.000 0.266 303 L C 0.565 177.442 176.870 0.012 0.000 1.002 303 L CA -0.865 54.001 54.840 0.044 0.000 0.818 303 L CB 1.561 43.660 42.059 0.066 0.000 1.325 303 L HN 0.718 nan 8.230 nan 0.000 0.418 304 G N 1.031 109.835 108.800 0.007 0.000 2.964 304 G HA2 0.098 4.059 3.960 0.001 0.000 0.191 304 G HA3 0.098 4.059 3.960 0.001 0.000 0.191 304 G C 0.471 175.370 174.900 -0.001 0.000 1.978 304 G CA 0.000 45.101 45.100 0.001 0.000 0.861 304 G HN 0.741 nan 8.290 nan 0.000 0.584 305 N N -0.170 118.528 118.700 -0.002 0.000 2.322 305 N HA 0.109 4.850 4.740 0.001 0.000 0.181 305 N C 0.470 175.976 175.510 -0.007 0.000 1.088 305 N CA 0.070 53.118 53.050 -0.004 0.000 0.885 305 N CB 0.823 39.309 38.487 -0.002 0.000 1.013 305 N HN 0.214 nan 8.380 nan 0.000 0.472 306 S N 0.826 116.522 115.700 -0.006 0.000 2.578 306 S HA 0.320 4.790 4.470 0.001 0.000 0.283 306 S C 0.337 174.928 174.600 -0.015 0.000 1.195 306 S CA -0.649 57.545 58.200 -0.010 0.000 1.050 306 S CB 0.922 64.118 63.200 -0.006 0.000 1.012 306 S HN 0.345 nan 8.310 nan 0.000 0.511 307 S N 2.979 118.665 115.700 -0.023 0.000 2.585 307 S HA 0.384 4.855 4.470 0.001 0.000 0.273 307 S C -0.409 174.172 174.600 -0.032 0.000 1.339 307 S CA -0.425 57.754 58.200 -0.036 0.000 1.028 307 S CB 0.730 63.905 63.200 -0.041 0.000 0.906 307 S HN 0.797 nan 8.310 nan 0.000 0.528 308 Q N 0.501 120.275 119.800 -0.044 0.000 2.315 308 Q HA 0.422 4.763 4.340 0.001 0.000 0.273 308 Q C -1.638 174.325 176.000 -0.062 0.000 1.053 308 Q CA -0.539 55.246 55.803 -0.030 0.000 0.817 308 Q CB 2.121 30.876 28.738 0.028 0.000 1.326 308 Q HN 0.783 nan 8.270 nan 0.000 0.423 309 T N 3.524 118.045 114.554 -0.054 0.000 2.771 309 T HA 0.408 4.758 4.350 0.001 0.000 0.281 309 T C -1.263 173.419 174.700 -0.031 0.000 0.982 309 T CA -0.265 61.791 62.100 -0.074 0.000 0.978 309 T CB 0.300 69.114 68.868 -0.091 0.000 0.930 309 T HN 0.389 nan 8.240 nan 0.000 0.447 310 F N 5.140 124.926 119.950 -0.274 0.000 2.385 310 F HA 0.589 5.117 4.527 0.001 0.000 0.360 310 F C -0.832 174.791 175.800 -0.294 0.000 1.122 310 F CA -1.668 56.148 58.000 -0.307 0.000 1.090 310 F CB 0.492 39.185 39.000 -0.512 0.000 1.150 310 F HN 0.224 nan 8.300 nan 0.000 0.472 311 V N 7.927 127.585 119.914 -0.428 0.000 2.370 311 V HA 0.392 4.513 4.120 0.001 0.000 0.279 311 V C -0.770 174.836 176.094 -0.814 0.000 1.029 311 V CA -0.704 61.256 62.300 -0.566 0.000 0.870 311 V CB 1.188 32.808 31.823 -0.339 0.000 0.984 311 V HN 0.628 nan 8.190 nan 0.000 0.451 312 L N 5.542 126.193 121.223 -0.953 0.000 2.343 312 L HA 0.642 4.983 4.340 0.001 0.000 0.278 312 L C -0.696 175.865 176.870 -0.514 0.000 0.996 312 L CA 0.022 54.316 54.840 -0.910 0.000 0.831 312 L CB 1.486 42.712 42.059 -1.388 0.000 1.232 312 L HN 0.748 nan 8.230 nan 0.000 0.413 313 N N 2.602 121.132 118.700 -0.284 0.000 2.260 313 N HA 0.592 5.333 4.740 0.001 0.000 0.293 313 N C 0.724 176.147 175.510 -0.144 0.000 1.058 313 N CA 0.298 53.249 53.050 -0.165 0.000 0.824 313 N CB 1.870 40.298 38.487 -0.098 0.000 1.551 313 N HN 0.811 nan 8.380 nan 0.000 0.475 314 G N 0.663 109.339 108.800 -0.207 0.000 2.413 314 G HA2 -0.323 3.638 3.960 0.001 0.000 0.259 314 G HA3 -0.323 3.638 3.960 0.001 0.000 0.259 314 G C 0.249 174.939 174.900 -0.349 0.000 1.003 314 G CA 0.960 45.746 45.100 -0.523 0.000 0.629 314 G HN 0.547 nan 8.290 nan 0.000 0.548 315 V N 1.095 120.951 119.914 -0.097 0.000 2.999 315 V HA 0.429 4.550 4.120 0.001 0.000 0.307 315 V C 0.887 176.951 176.094 -0.051 0.000 1.084 315 V CA 0.985 63.282 62.300 -0.005 0.000 1.155 315 V CB 1.337 33.234 31.823 0.123 0.000 0.975 315 V HN 0.315 nan 8.190 nan 0.000 0.490 316 T N 3.411 117.897 114.554 -0.112 0.000 2.791 316 T HA 0.472 4.822 4.350 0.001 0.000 0.288 316 T C -0.423 174.139 174.700 -0.231 0.000 0.999 316 T CA -0.275 61.682 62.100 -0.238 0.000 0.952 316 T CB 1.343 70.154 68.868 -0.094 0.000 0.938 316 T HN 0.384 nan 8.240 nan 0.000 0.444 317 V N 3.230 122.987 119.914 -0.261 0.000 2.427 317 V HA 0.695 4.815 4.120 0.001 0.000 0.286 317 V C 0.186 176.135 176.094 -0.241 0.000 1.034 317 V CA -0.346 61.852 62.300 -0.170 0.000 0.893 317 V CB 1.817 33.671 31.823 0.051 0.000 0.982 317 V HN 0.877 nan 8.190 nan 0.000 0.452 318 S N 3.602 119.183 115.700 -0.198 0.000 2.542 318 S HA 0.704 5.175 4.470 0.001 0.000 0.293 318 S C 0.122 174.704 174.600 -0.031 0.000 1.089 318 S CA 0.132 58.236 58.200 -0.160 0.000 0.961 318 S CB 1.540 64.688 63.200 -0.087 0.000 1.062 318 S HN 2.223 nan 8.310 nan 0.000 0.483 319 A N 3.235 126.055 122.820 -0.000 0.000 2.362 319 A HA -0.066 4.254 4.320 0.001 0.000 0.290 319 A C -2.420 175.257 177.584 0.156 0.000 1.441 319 A CA 0.508 52.596 52.037 0.085 0.000 0.743 319 A CB -1.838 17.247 19.000 0.141 0.000 1.125 319 A HN 0.558 nan 8.150 nan 0.000 0.378 320 P HA 0.234 nan 4.420 nan 0.000 0.275 320 P C -2.060 175.431 177.300 0.317 0.000 1.227 320 P CA -1.432 61.764 63.100 0.161 0.000 0.781 320 P CB 0.718 32.476 31.700 0.096 0.000 0.906 321 P HA 0.130 nan 4.420 nan 0.000 0.249 321 P C 0.029 177.463 177.300 0.224 0.000 1.229 321 P CA 0.566 63.864 63.100 0.329 0.000 0.788 321 P CB 0.260 32.087 31.700 0.211 0.000 1.072 322 F N -0.957 118.964 119.950 -0.048 0.000 3.913 322 F HA 0.261 4.788 4.527 0.001 0.000 0.331 322 F C -0.766 174.981 175.800 -0.088 0.000 1.092 322 F CA -1.060 56.820 58.000 -0.200 0.000 0.849 322 F CB 0.308 39.033 39.000 -0.457 0.000 1.719 322 F HN -0.438 nan 8.300 nan 0.000 0.510 323 N N 1.071 119.387 118.700 -0.641 0.000 2.353 323 N HA 0.024 4.764 4.740 0.001 0.000 0.248 323 N C 0.586 176.052 175.510 -0.074 0.000 1.240 323 N CA 0.587 53.400 53.050 -0.395 0.000 0.862 323 N CB 1.053 39.292 38.487 -0.412 0.000 1.086 323 N HN 0.561 nan 8.380 nan 0.000 0.453 324 S N 2.823 118.527 115.700 0.007 0.000 2.383 324 S HA -0.075 4.396 4.470 0.001 0.000 0.227 324 S C 0.714 175.443 174.600 0.216 0.000 1.026 324 S CA 0.773 59.048 58.200 0.126 0.000 0.981 324 S CB 0.224 63.566 63.200 0.238 0.000 0.818 324 S HN 0.633 nan 8.310 nan 0.000 0.472 325 M N 0.878 120.611 119.600 0.223 0.000 2.465 325 M HA 0.496 4.977 4.480 0.001 0.000 0.284 325 M C -2.558 173.918 176.300 0.294 0.000 1.212 325 M CA -0.203 55.301 55.300 0.341 0.000 0.910 325 M CB 2.206 35.104 32.600 0.497 0.000 1.725 325 M HN 0.119 nan 8.290 nan 0.000 0.477 326 D N 2.205 122.853 120.400 0.413 0.000 2.745 326 D HA 0.300 4.940 4.640 0.001 0.000 0.221 326 D C -1.876 174.773 176.300 0.582 0.000 1.237 326 D CA -0.118 54.148 54.000 0.443 0.000 0.781 326 D CB 1.875 42.828 40.800 0.255 0.000 1.575 326 D HN 0.622 nan 8.370 nan 0.000 0.482 327 W N 0.688 122.114 121.300 0.210 0.000 2.578 327 W HA 0.417 5.077 4.660 0.001 0.000 0.353 327 W C 0.071 176.599 176.519 0.015 0.000 1.088 327 W CA -0.592 56.789 57.345 0.060 0.000 1.235 327 W CB 2.107 31.525 29.460 -0.070 0.000 1.362 327 W HN 0.151 nan 8.180 nan 0.000 0.592 328 S N 0.509 116.249 115.700 0.067 0.000 2.608 328 S HA 0.860 5.331 4.470 0.001 0.000 0.291 328 S C 0.024 174.642 174.600 0.029 0.000 1.146 328 S CA -0.213 58.003 58.200 0.026 0.000 1.043 328 S CB 1.709 64.884 63.200 -0.041 0.000 1.037 328 S HN 0.793 nan 8.310 nan 0.000 0.520 329 G N 1.633 110.447 108.800 0.024 0.000 2.339 329 G HA2 0.016 3.977 3.960 0.001 0.000 0.381 329 G HA3 0.016 3.977 3.960 0.001 0.000 0.381 329 G C -0.638 174.274 174.900 0.020 0.000 1.400 329 G CA -0.893 44.216 45.100 0.015 0.000 1.002 329 G HN 0.579 nan 8.290 nan 0.000 0.633 330 N N -0.662 118.047 118.700 0.015 0.000 2.322 330 N HA 0.198 4.939 4.740 0.001 0.000 0.181 330 N C 1.007 176.528 175.510 0.019 0.000 1.088 330 N CA 0.669 53.733 53.050 0.023 0.000 0.885 330 N CB 0.822 39.322 38.487 0.021 0.000 1.013 330 N HN 0.341 nan 8.380 nan 0.000 0.472 331 S N 0.848 116.548 115.700 -0.000 0.000 2.979 331 S HA 0.209 4.680 4.470 0.001 0.000 0.210 331 S C 0.757 175.320 174.600 -0.063 0.000 1.364 331 S CA -0.311 57.880 58.200 -0.015 0.000 1.208 331 S CB 0.067 63.257 63.200 -0.017 0.000 1.167 331 S HN 0.097 nan 8.310 nan 0.000 0.519 332 L N 2.580 123.763 121.223 -0.066 0.000 2.265 332 L HA -0.074 4.266 4.340 0.001 0.000 0.215 332 L C 1.757 178.452 176.870 -0.291 0.000 1.117 332 L CA 1.497 56.206 54.840 -0.218 0.000 0.782 332 L CB -0.460 41.545 42.059 -0.089 0.000 0.914 332 L HN 0.430 nan 8.230 nan 0.000 0.441 333 D N -2.152 118.191 120.400 -0.096 0.000 2.363 333 D HA -0.139 4.501 4.640 0.001 0.000 0.226 333 D C 1.693 177.938 176.300 -0.091 0.000 1.020 333 D CA 0.354 54.319 54.000 -0.058 0.000 0.892 333 D CB -0.182 40.650 40.800 0.052 0.000 0.900 333 D HN 0.181 nan 8.370 nan 0.000 0.531 334 L N 0.212 121.361 121.223 -0.122 0.000 2.592 334 L HA 0.317 4.658 4.340 0.001 0.000 0.227 334 L C 0.602 177.386 176.870 -0.143 0.000 1.127 334 L CA 0.145 54.925 54.840 -0.099 0.000 0.884 334 L CB -0.310 41.709 42.059 -0.067 0.000 1.065 334 L HN 0.059 nan 8.230 nan 0.000 0.457 335 I N -0.893 119.523 120.570 -0.256 0.000 2.566 335 I HA 0.279 4.449 4.170 0.001 0.000 0.303 335 I C 0.419 176.420 176.117 -0.193 0.000 0.983 335 I CA -0.049 61.063 61.300 -0.313 0.000 1.235 335 I CB 1.892 39.474 38.000 -0.695 0.000 1.386 335 I HN -0.150 nan 8.210 nan 0.000 0.494 336 T N 3.942 118.413 114.554 -0.139 0.000 2.894 336 T HA 0.549 4.900 4.350 0.001 0.000 0.309 336 T C -1.315 173.320 174.700 -0.109 0.000 1.208 336 T CA -0.331 61.718 62.100 -0.084 0.000 1.016 336 T CB 0.961 69.781 68.868 -0.079 0.000 1.192 336 T HN 0.681 nan 8.240 nan 0.000 0.491 337 C N 3.400 122.626 119.300 -0.124 0.000 2.614 337 C HA 0.862 5.323 4.460 0.001 0.000 0.320 337 C C -0.553 174.301 174.990 -0.227 0.000 1.200 337 C CA -1.041 57.853 59.018 -0.206 0.000 1.700 337 C CB 1.250 28.845 27.740 -0.241 0.000 2.275 337 C HN 0.766 nan 8.230 nan 0.000 0.492 338 R N 1.631 121.940 120.500 -0.318 0.000 2.625 338 R HA 0.532 4.873 4.340 0.001 0.000 0.286 338 R C -1.101 174.977 176.300 -0.370 0.000 1.406 338 R CA -0.132 55.803 56.100 -0.276 0.000 1.052 338 R CB 1.286 31.449 30.300 -0.228 0.000 1.203 338 R HN 0.736 nan 8.270 nan 0.000 0.502 339 V N 0.826 120.535 119.914 -0.342 0.000 2.715 339 V HA 0.737 4.857 4.120 0.001 0.000 0.310 339 V C -0.962 174.986 176.094 -0.243 0.000 1.054 339 V CA -0.354 61.714 62.300 -0.386 0.000 0.928 339 V CB 2.388 33.907 31.823 -0.507 0.000 1.007 339 V HN 0.617 nan 8.190 nan 0.000 0.437 340 D N 3.114 123.392 120.400 -0.204 0.000 2.609 340 D HA 0.239 4.880 4.640 0.001 0.000 0.239 340 D C -0.982 175.268 176.300 -0.083 0.000 1.229 340 D CA -0.210 53.717 54.000 -0.122 0.000 0.808 340 D CB 1.858 42.603 40.800 -0.092 0.000 1.448 340 D HN 0.892 nan 8.370 nan 0.000 0.433 341 D N 0.737 121.101 120.400 -0.061 0.000 2.704 341 D HA -0.278 4.362 4.640 0.001 0.000 0.232 341 D C -1.333 174.916 176.300 -0.085 0.000 1.183 341 D CA 1.062 55.032 54.000 -0.049 0.000 0.647 341 D CB -1.383 39.444 40.800 0.045 0.000 1.013 341 D HN 0.314 nan 8.370 nan 0.000 0.415 342 Y N 0.217 120.353 120.300 -0.273 0.000 2.429 342 Y HA 0.611 5.162 4.550 0.001 0.000 0.342 342 Y C -0.648 175.027 175.900 -0.375 0.000 1.004 342 Y CA -0.824 57.089 58.100 -0.311 0.000 1.075 342 Y CB 1.233 39.505 38.460 -0.313 0.000 1.214 342 Y HN -0.120 nan 8.280 nan 0.000 0.455 343 K N 3.669 123.375 120.400 -1.157 0.000 2.426 343 K HA 0.408 4.728 4.320 0.001 0.000 0.251 343 K C -1.681 174.358 176.600 -0.935 0.000 0.941 343 K CA -0.897 54.806 56.287 -0.973 0.000 0.808 343 K CB 2.028 33.879 32.500 -1.082 0.000 1.265 343 K HN 0.609 nan 8.250 nan 0.000 0.432 344 Q N 1.921 121.461 119.800 -0.432 0.000 2.347 344 Q HA 0.534 4.875 4.340 0.001 0.000 0.265 344 Q C -1.147 174.837 176.000 -0.028 0.000 1.024 344 Q CA -0.776 54.907 55.803 -0.201 0.000 0.731 344 Q CB 1.357 30.126 28.738 0.053 0.000 1.245 344 Q HN 0.589 nan 8.270 nan 0.000 0.472 345 V N 0.255 120.026 119.914 -0.238 0.000 3.019 345 V HA 0.911 5.031 4.120 0.001 0.000 0.317 345 V C 0.720 176.620 176.094 -0.323 0.000 1.094 345 V CA 0.072 62.184 62.300 -0.313 0.000 1.000 345 V CB 1.393 32.753 31.823 -0.772 0.000 1.060 345 V HN 0.945 nan 8.190 nan 0.000 0.443 346 G N 0.908 109.440 108.800 -0.447 0.000 2.283 346 G HA2 -0.007 3.954 3.960 0.001 0.000 0.280 346 G HA3 -0.007 3.954 3.960 0.001 0.000 0.280 346 G C 0.441 175.076 174.900 -0.442 0.000 1.029 346 G CA 0.439 45.225 45.100 -0.523 0.000 0.840 346 G HN 2.221 nan 8.290 nan 0.000 0.505 347 A N -0.339 122.359 122.820 -0.204 0.000 3.126 347 A HA 0.726 5.046 4.320 0.001 0.000 0.268 347 A C 0.991 178.401 177.584 -0.290 0.000 1.605 347 A CA -0.170 51.755 52.037 -0.188 0.000 1.305 347 A CB -0.348 18.575 19.000 -0.128 0.000 1.160 347 A HN 0.473 nan 8.150 nan 0.000 0.609 348 F N -0.341 119.595 119.950 -0.024 0.000 2.456 348 F HA 0.035 4.562 4.527 0.001 0.000 0.298 348 F C 0.520 176.287 175.800 -0.054 0.000 1.104 348 F CA 0.237 58.197 58.000 -0.066 0.000 1.435 348 F CB -0.218 38.708 39.000 -0.123 0.000 1.078 348 F HN 0.418 nan 8.300 nan 0.000 0.546 349 Y N 0.934 121.356 120.300 0.203 0.000 2.379 349 Y HA 0.366 4.917 4.550 0.001 0.000 0.337 349 Y C 1.111 177.058 175.900 0.078 0.000 1.238 349 Y CA -1.087 57.073 58.100 0.100 0.000 1.405 349 Y CB -0.236 38.396 38.460 0.287 0.000 1.310 349 Y HN -0.107 nan 8.280 nan 0.000 0.569 350 G N 0.168 109.066 108.800 0.163 0.000 2.606 350 G HA2 0.295 4.255 3.960 0.001 0.000 0.252 350 G HA3 0.295 4.255 3.960 0.001 0.000 0.252 350 G C -0.514 174.614 174.900 0.381 0.000 1.206 350 G CA -0.542 44.673 45.100 0.191 0.000 0.861 350 G HN 0.827 nan 8.290 nan 0.000 0.561 351 Q N -1.621 118.304 119.800 0.209 0.000 2.494 351 Q HA -0.192 4.148 4.340 0.001 0.000 0.272 351 Q C 0.585 176.517 176.000 -0.114 0.000 1.145 351 Q CA 0.892 56.708 55.803 0.023 0.000 0.943 351 Q CB -2.201 26.532 28.738 -0.010 0.000 1.338 351 Q HN 0.784 nan 8.270 nan 0.000 0.492 352 T N -2.111 112.443 114.554 0.000 0.000 3.591 352 T HA 0.259 4.610 4.350 0.001 0.000 0.232 352 T C 0.017 174.663 174.700 -0.090 0.000 1.116 352 T CA -0.674 61.415 62.100 -0.019 0.000 1.063 352 T CB 0.097 68.986 68.868 0.035 0.000 1.227 352 T HN 0.027 nan 8.240 nan 0.000 0.685 353 D N 1.931 122.242 120.400 -0.149 0.000 2.474 353 D HA 0.331 4.971 4.640 0.001 0.000 0.232 353 D C 1.160 177.375 176.300 -0.143 0.000 1.177 353 D CA 0.516 54.425 54.000 -0.152 0.000 0.876 353 D CB 0.398 41.105 40.800 -0.156 0.000 1.208 353 D HN 0.520 nan 8.370 nan 0.000 0.464 354 G N 0.249 108.886 108.800 -0.271 0.000 2.563 354 G HA2 0.443 4.403 3.960 0.001 0.000 0.283 354 G HA3 0.443 4.403 3.960 0.001 0.000 0.283 354 G C 0.071 174.910 174.900 -0.103 0.000 1.309 354 G CA -0.795 44.083 45.100 -0.370 0.000 1.022 354 G HN 0.427 nan 8.290 nan 0.000 0.501 355 L N -0.028 121.259 121.223 0.108 0.000 2.492 355 L HA 0.119 4.460 4.340 0.001 0.000 0.280 355 L C 0.540 177.371 176.870 -0.065 0.000 1.240 355 L CA -0.133 54.766 54.840 0.098 0.000 0.831 355 L CB 0.156 42.284 42.059 0.114 0.000 1.100 355 L HN 0.340 nan 8.230 nan 0.000 0.505 356 E N 2.141 122.259 120.200 -0.136 0.000 2.301 356 E HA 0.362 4.713 4.350 0.001 0.000 0.275 356 E C -0.648 175.659 176.600 -0.489 0.000 1.030 356 E CA -0.134 56.065 56.400 -0.334 0.000 0.852 356 E CB 1.620 30.993 29.700 -0.546 0.000 1.060 356 E HN 0.419 nan 8.360 nan 0.000 0.401 357 M N 3.562 122.941 119.600 -0.369 0.000 2.016 357 M HA 0.240 4.720 4.480 0.001 0.000 0.315 357 M C -0.996 175.165 176.300 -0.231 0.000 0.930 357 M CA -0.634 54.511 55.300 -0.259 0.000 0.899 357 M CB 0.461 33.033 32.600 -0.048 0.000 1.401 357 M HN 0.323 nan 8.290 nan 0.000 0.386 358 Y N 1.648 121.817 120.300 -0.218 0.000 2.335 358 Y HA 0.228 4.778 4.550 0.001 0.000 0.348 358 Y C -1.871 173.905 175.900 -0.207 0.000 1.280 358 Y CA -1.858 55.961 58.100 -0.470 0.000 1.504 358 Y CB -0.463 37.678 38.460 -0.532 0.000 1.366 358 Y HN 0.418 nan 8.280 nan 0.000 0.621 359 P HA 0.005 nan 4.420 nan 0.000 0.261 359 P C 0.542 177.849 177.300 0.012 0.000 1.165 359 P CA 2.254 65.387 63.100 0.055 0.000 0.759 359 P CB 0.120 31.849 31.700 0.048 0.000 0.772 360 G N 1.585 110.396 108.800 0.018 0.000 2.179 360 G HA2 -0.249 3.712 3.960 0.001 0.000 0.260 360 G HA3 -0.249 3.712 3.960 0.001 0.000 0.260 360 G C 0.445 175.332 174.900 -0.022 0.000 0.977 360 G CA 0.150 45.245 45.100 -0.008 0.000 0.641 360 G HN 0.592 nan 8.290 nan 0.000 0.533 361 T N 0.705 115.249 114.554 -0.017 0.000 2.937 361 T HA 0.441 4.792 4.350 0.001 0.000 0.316 361 T C 0.587 175.269 174.700 -0.030 0.000 1.079 361 T CA 0.692 62.766 62.100 -0.044 0.000 1.131 361 T CB 0.788 69.626 68.868 -0.049 0.000 1.000 361 T HN 0.376 nan 8.240 nan 0.000 0.549 362 I N 3.652 124.183 120.570 -0.065 0.000 2.497 362 I HA 0.411 4.582 4.170 0.001 0.000 0.284 362 I C -0.709 175.355 176.117 -0.088 0.000 1.060 362 I CA -0.546 60.722 61.300 -0.054 0.000 1.071 362 I CB 1.494 39.458 38.000 -0.061 0.000 1.216 362 I HN 0.363 nan 8.210 nan 0.000 0.442 363 L N 7.576 128.758 121.223 -0.068 0.000 2.362 363 L HA 0.615 4.955 4.340 0.001 0.000 0.275 363 L C -1.297 175.524 176.870 -0.081 0.000 0.998 363 L CA 0.012 54.791 54.840 -0.102 0.000 0.820 363 L CB 1.630 43.628 42.059 -0.102 0.000 1.270 363 L HN 0.646 nan 8.230 nan 0.000 0.415 364 Q N 3.654 123.396 119.800 -0.097 0.000 2.377 364 Q HA 0.380 4.721 4.340 0.001 0.000 0.279 364 Q C -1.541 174.406 176.000 -0.089 0.000 1.049 364 Q CA -1.041 54.714 55.803 -0.080 0.000 0.825 364 Q CB 2.100 30.802 28.738 -0.061 0.000 1.401 364 Q HN 0.648 nan 8.270 nan 0.000 0.404 365 D N 0.302 120.654 120.400 -0.081 0.000 2.828 365 D HA -0.118 4.523 4.640 0.001 0.000 0.241 365 D C -1.064 175.171 176.300 -0.107 0.000 1.142 365 D CA 0.565 54.520 54.000 -0.075 0.000 0.755 365 D CB -1.062 39.699 40.800 -0.065 0.000 1.014 365 D HN 0.273 nan 8.370 nan 0.000 0.420 366 V N 0.965 120.792 119.914 -0.146 0.000 2.769 366 V HA 0.645 4.766 4.120 0.001 0.000 0.312 366 V C -0.183 175.767 176.094 -0.239 0.000 1.061 366 V CA -0.967 61.182 62.300 -0.252 0.000 0.931 366 V CB 2.361 33.956 31.823 -0.381 0.000 1.010 366 V HN 0.230 nan 8.190 nan 0.000 0.433 367 F N 4.358 124.033 119.950 -0.458 0.000 2.449 367 F HA 0.712 5.240 4.527 0.001 0.000 0.342 367 F C -1.418 174.197 175.800 -0.308 0.000 1.127 367 F CA -0.632 57.193 58.000 -0.292 0.000 0.975 367 F CB 1.160 40.008 39.000 -0.254 0.000 1.146 367 F HN 0.396 nan 8.300 nan 0.000 0.444 368 Y N 5.089 124.958 120.300 -0.720 0.000 2.331 368 Y HA 0.314 4.864 4.550 0.001 0.000 0.334 368 Y C -0.797 174.817 175.900 -0.477 0.000 0.960 368 Y CA -0.866 56.972 58.100 -0.436 0.000 1.130 368 Y CB 0.998 39.297 38.460 -0.268 0.000 1.164 368 Y HN 0.606 nan 8.280 nan 0.000 0.458 369 H N 1.622 120.630 119.070 -0.104 0.000 2.551 369 H HA 0.609 5.165 4.556 0.001 0.000 0.321 369 H C -0.990 174.288 175.328 -0.084 0.000 1.028 369 H CA -0.232 55.763 56.048 -0.088 0.000 1.215 369 H CB 1.301 31.017 29.762 -0.075 0.000 1.414 369 H HN 0.602 nan 8.280 nan 0.000 0.480 370 T N 3.362 117.680 114.554 -0.393 0.000 2.993 370 T HA 0.129 4.480 4.350 0.001 0.000 0.312 370 T C -0.463 174.079 174.700 -0.264 0.000 1.115 370 T CA -0.761 61.156 62.100 -0.305 0.000 1.027 370 T CB 1.187 69.921 68.868 -0.222 0.000 1.116 370 T HN 0.675 nan 8.240 nan 0.000 0.464 371 D N 2.841 123.132 120.400 -0.181 0.000 2.427 371 D HA 0.320 4.961 4.640 0.001 0.000 0.224 371 D C 0.130 176.431 176.300 0.001 0.000 1.157 371 D CA 0.112 54.067 54.000 -0.076 0.000 0.828 371 D CB 0.262 41.050 40.800 -0.021 0.000 0.974 371 D HN 0.587 nan 8.370 nan 0.000 0.498 372 D N -1.022 119.366 120.400 -0.020 0.000 2.970 372 D HA 0.002 4.642 4.640 0.001 0.000 0.344 372 D C -1.074 175.229 176.300 0.006 0.000 1.365 372 D CA -0.489 53.532 54.000 0.035 0.000 0.910 372 D CB 0.957 41.776 40.800 0.032 0.000 1.445 372 D HN -0.216 nan 8.370 nan 0.000 0.532 373 D N 0.303 120.738 120.400 0.058 0.000 2.819 373 D HA 0.074 4.714 4.640 0.001 0.000 0.236 373 D C 0.756 176.989 176.300 -0.113 0.000 1.181 373 D CA 0.622 54.645 54.000 0.039 0.000 0.855 373 D CB 0.797 41.685 40.800 0.146 0.000 1.146 373 D HN 0.444 nan 8.370 nan 0.000 0.540 374 G N 2.757 111.464 108.800 -0.156 0.000 2.658 374 G HA2 0.035 3.995 3.960 0.001 0.000 0.217 374 G HA3 0.035 3.995 3.960 0.001 0.000 0.217 374 G C 0.568 175.234 174.900 -0.390 0.000 1.319 374 G CA -0.334 44.567 45.100 -0.331 0.000 0.885 374 G HN 0.470 nan 8.290 nan 0.000 0.553 375 L N 1.888 122.948 121.223 -0.272 0.000 2.282 375 L HA 0.303 4.643 4.340 0.001 0.000 0.287 375 L C -0.329 176.458 176.870 -0.139 0.000 1.075 375 L CA -0.270 54.409 54.840 -0.269 0.000 0.839 375 L CB 1.119 42.949 42.059 -0.382 0.000 1.219 375 L HN 0.147 nan 8.230 nan 0.000 0.434 376 K N 4.775 125.029 120.400 -0.245 0.000 2.220 376 K HA 0.214 4.535 4.320 0.001 0.000 0.283 376 K C 0.061 176.465 176.600 -0.327 0.000 1.098 376 K CA 0.027 56.005 56.287 -0.515 0.000 0.928 376 K CB 0.811 32.798 32.500 -0.855 0.000 1.214 376 K HN 0.561 nan 8.250 nan 0.000 0.442 377 M N 4.514 124.110 119.600 -0.006 0.000 3.422 377 M HA 0.080 4.560 4.480 0.001 0.000 0.248 377 M C -0.845 175.614 176.300 0.265 0.000 1.433 377 M CA -0.074 55.351 55.300 0.208 0.000 1.592 377 M CB 0.116 32.853 32.600 0.228 0.000 1.078 377 M HN 0.561 nan 8.290 nan 0.000 0.578 378 Y N 1.188 121.521 120.300 0.055 0.000 2.481 378 Y HA 0.289 4.840 4.550 0.001 0.000 0.247 378 Y C -0.784 174.757 175.900 -0.598 0.000 1.151 378 Y CA -0.602 57.343 58.100 -0.258 0.000 1.238 378 Y CB -0.113 38.096 38.460 -0.417 0.000 1.179 378 Y HN 0.363 nan 8.280 nan 0.000 0.524 379 Y N -1.438 118.996 120.300 0.224 0.000 2.553 379 Y HA 0.540 5.090 4.550 0.001 0.000 0.347 379 Y C 0.430 176.373 175.900 0.072 0.000 1.019 379 Y CA -1.676 56.514 58.100 0.151 0.000 1.032 379 Y CB 1.442 40.003 38.460 0.169 0.000 1.284 379 Y HN -0.373 nan 8.280 nan 0.000 0.466 380 S N 1.835 117.664 115.700 0.215 0.000 2.617 380 S HA 0.150 4.621 4.470 0.001 0.000 0.269 380 S C -0.111 174.530 174.600 0.068 0.000 1.292 380 S CA -0.585 57.667 58.200 0.087 0.000 1.010 380 S CB 0.086 63.320 63.200 0.056 0.000 0.944 380 S HN 0.807 nan 8.310 nan 0.000 0.536 381 N N -0.611 118.094 118.700 0.008 0.000 2.740 381 N HA -0.135 4.606 4.740 0.001 0.000 0.248 381 N C -1.045 174.475 175.510 0.016 0.000 1.062 381 N CA 0.350 53.398 53.050 -0.003 0.000 0.704 381 N CB -1.689 36.798 38.487 0.001 0.000 0.968 381 N HN 0.293 nan 8.380 nan 0.000 0.547 382 V N 0.513 120.444 119.914 0.029 0.000 2.472 382 V HA 0.484 4.604 4.120 0.001 0.000 0.290 382 V C 0.695 176.848 176.094 0.099 0.000 1.037 382 V CA -0.195 62.153 62.300 0.081 0.000 0.908 382 V CB 2.172 34.093 31.823 0.163 0.000 0.985 382 V HN 0.199 nan 8.190 nan 0.000 0.454 383 T N 4.135 118.754 114.554 0.110 0.000 2.815 383 T HA 0.720 5.071 4.350 0.001 0.000 0.289 383 T C -0.301 174.490 174.700 0.150 0.000 1.000 383 T CA -0.321 61.855 62.100 0.126 0.000 0.958 383 T CB 1.413 70.312 68.868 0.051 0.000 0.944 383 T HN 0.913 nan 8.240 nan 0.000 0.442 384 A N 4.361 127.333 122.820 0.254 0.000 2.343 384 A HA 0.889 5.210 4.320 0.001 0.000 0.308 384 A C -0.183 177.455 177.584 0.091 0.000 1.092 384 A CA -1.064 51.038 52.037 0.109 0.000 0.751 384 A CB 1.116 20.076 19.000 -0.067 0.000 1.203 384 A HN 0.917 nan 8.150 nan 0.000 0.452 385 R N 1.229 121.735 120.500 0.010 0.000 2.764 385 R HA 0.659 4.999 4.340 0.001 0.000 0.270 385 R C -0.676 175.597 176.300 -0.044 0.000 1.014 385 R CA -0.776 55.326 56.100 0.003 0.000 0.904 385 R CB 0.722 31.038 30.300 0.026 0.000 1.236 385 R HN 0.688 nan 8.270 nan 0.000 0.466 386 N N 0.485 119.158 118.700 -0.046 0.000 2.671 386 N HA -0.175 4.565 4.740 0.001 0.000 0.261 386 N C -1.091 174.374 175.510 -0.075 0.000 1.053 386 N CA 0.522 53.542 53.050 -0.050 0.000 0.732 386 N CB -1.027 37.440 38.487 -0.034 0.000 0.887 386 N HN 0.428 nan 8.380 nan 0.000 0.546 387 I N 0.339 120.839 120.570 -0.118 0.000 2.530 387 I HA 0.485 4.655 4.170 0.001 0.000 0.297 387 I C 0.175 176.209 176.117 -0.138 0.000 1.011 387 I CA -1.143 60.075 61.300 -0.138 0.000 1.107 387 I CB 2.066 39.964 38.000 -0.170 0.000 1.285 387 I HN -0.165 nan 8.210 nan 0.000 0.436 388 V N 6.470 126.320 119.914 -0.108 0.000 2.378 388 V HA 0.434 4.555 4.120 0.001 0.000 0.288 388 V C -0.253 175.677 176.094 -0.274 0.000 1.016 388 V CA -0.462 61.781 62.300 -0.094 0.000 0.840 388 V CB 1.686 33.595 31.823 0.143 0.000 0.994 388 V HN 0.693 nan 8.190 nan 0.000 0.431 389 M N 5.662 125.124 119.600 -0.230 0.000 2.253 389 M HA 0.443 4.923 4.480 0.001 0.000 0.314 389 M C -1.554 174.687 176.300 -0.097 0.000 1.019 389 M CA -0.554 54.611 55.300 -0.225 0.000 0.932 389 M CB 1.676 34.182 32.600 -0.157 0.000 1.606 389 M HN 0.813 nan 8.290 nan 0.000 0.430 390 W N 6.743 127.897 121.300 -0.244 0.000 2.147 390 W HA 0.331 4.991 4.660 0.001 0.000 0.325 390 W C -0.653 175.839 176.519 -0.045 0.000 0.855 390 W CA -0.890 56.459 57.345 0.006 0.000 1.642 390 W CB 0.396 30.002 29.460 0.243 0.000 1.750 390 W HN 0.612 nan 8.180 nan 0.000 0.359 391 K N 2.745 123.230 120.400 0.142 0.000 2.401 391 K HA 0.016 4.336 4.320 0.001 0.000 0.278 391 K C 0.580 177.208 176.600 0.046 0.000 1.018 391 K CA 0.895 57.181 56.287 -0.001 0.000 0.981 391 K CB 1.049 33.489 32.500 -0.101 0.000 0.933 391 K HN 0.484 nan 8.250 nan 0.000 0.477 392 E N 1.427 121.596 120.200 -0.051 0.000 2.611 392 E HA 0.121 4.471 4.350 0.001 0.000 0.284 392 E C 0.352 176.892 176.600 -0.100 0.000 0.800 392 E CA 0.345 56.753 56.400 0.014 0.000 1.264 392 E CB 0.212 29.903 29.700 -0.016 0.000 1.735 392 E HN 0.630 nan 8.360 nan 0.000 0.526 393 S N -0.316 115.357 115.700 -0.045 0.000 2.687 393 S HA 0.234 4.705 4.470 0.001 0.000 0.247 393 S C -0.390 174.320 174.600 0.182 0.000 1.050 393 S CA -0.281 57.922 58.200 0.006 0.000 1.063 393 S CB 1.471 64.739 63.200 0.112 0.000 1.039 393 S HN -0.025 nan 8.310 nan 0.000 0.580 394 V N 1.261 121.278 119.914 0.171 0.000 2.962 394 V HA 0.899 5.019 4.120 0.001 0.000 0.313 394 V C -0.069 176.200 176.094 0.291 0.000 1.099 394 V CA -0.557 61.907 62.300 0.274 0.000 0.971 394 V CB 1.121 33.059 31.823 0.192 0.000 1.028 394 V HN 0.474 nan 8.190 nan 0.000 0.430 395 A N 3.667 126.657 122.820 0.283 0.000 2.770 395 A HA -0.000 4.320 4.320 0.001 0.000 0.674 395 A C -2.810 174.903 177.584 0.215 0.000 0.315 395 A CA 0.065 52.230 52.037 0.213 0.000 0.133 395 A CB -1.888 17.228 19.000 0.193 0.000 3.903 395 A HN 0.737 nan 8.150 nan 0.000 0.543 396 P HA 0.429 nan 4.420 nan 0.000 0.278 396 P C 1.010 178.338 177.300 0.047 0.000 1.258 396 P CA 0.146 63.274 63.100 0.046 0.000 0.811 396 P CB 0.966 32.644 31.700 -0.038 0.000 1.063 397 V N 0.784 120.697 119.914 -0.002 0.000 2.307 397 V HA -0.106 4.014 4.120 0.001 0.000 0.245 397 V C 1.219 177.266 176.094 -0.077 0.000 1.045 397 V CA 1.607 63.873 62.300 -0.056 0.000 1.024 397 V CB -0.275 31.490 31.823 -0.096 0.000 0.651 397 V HN 0.312 nan 8.190 nan 0.000 0.449 398 V N 0.745 120.607 119.914 -0.087 0.000 2.409 398 V HA 0.494 4.615 4.120 0.001 0.000 0.291 398 V C -0.485 175.680 176.094 0.118 0.000 1.020 398 V CA -0.581 61.715 62.300 -0.006 0.000 0.848 398 V CB 1.729 33.489 31.823 -0.106 0.000 0.990 398 V HN 0.487 nan 8.190 nan 0.000 0.430 399 E N 4.381 124.696 120.200 0.191 0.000 2.227 399 E HA 0.737 5.087 4.350 0.001 0.000 0.268 399 E C -0.708 176.211 176.600 0.531 0.000 0.907 399 E CA -0.537 56.028 56.400 0.275 0.000 0.786 399 E CB 1.568 31.402 29.700 0.223 0.000 1.191 399 E HN 0.565 nan 8.360 nan 0.000 0.411 400 F N 1.370 121.454 119.950 0.224 0.000 2.429 400 F HA 0.489 5.016 4.527 0.001 0.000 0.358 400 F C -0.167 175.717 175.800 0.139 0.000 1.341 400 F CA -0.389 57.792 58.000 0.301 0.000 1.012 400 F CB 0.403 39.549 39.000 0.243 0.000 1.483 400 F HN 0.461 nan 8.300 nan 0.000 0.491 401 G N -0.353 108.365 108.800 -0.137 0.000 4.849 401 G HA2 0.253 4.214 3.960 0.001 0.000 0.247 401 G HA3 0.253 4.214 3.960 0.001 0.000 0.247 401 G C -0.510 174.234 174.900 -0.260 0.000 1.128 401 G CA -0.224 44.685 45.100 -0.318 0.000 0.864 401 G HN 0.494 nan 8.290 nan 0.000 0.567 402 W N 0.561 121.834 121.300 -0.046 0.000 2.842 402 W HA 0.317 4.978 4.660 0.001 0.000 0.267 402 W C 0.597 177.163 176.519 0.077 0.000 1.219 402 W CA 0.248 57.612 57.345 0.033 0.000 1.458 402 W CB 1.347 30.790 29.460 -0.029 0.000 1.006 402 W HN 0.126 nan 8.180 nan 0.000 0.603 403 T N 1.568 116.228 114.554 0.176 0.000 3.032 403 T HA 0.201 4.551 4.350 0.001 0.000 0.312 403 T C -2.803 171.915 174.700 0.030 0.000 1.078 403 T CA -1.300 60.878 62.100 0.130 0.000 1.028 403 T CB 2.321 71.254 68.868 0.108 0.000 1.091 403 T HN -0.417 nan 8.240 nan 0.000 0.457 404 P HA 0.276 nan 4.420 nan 0.000 0.268 404 P C -0.708 176.600 177.300 0.013 0.000 1.204 404 P CA -0.228 62.879 63.100 0.011 0.000 0.768 404 P CB 0.703 32.426 31.700 0.039 0.000 0.842 405 R N 1.198 121.701 120.500 0.005 0.000 2.752 405 R HA 0.489 4.829 4.340 0.001 0.000 0.271 405 R C -1.135 175.169 176.300 0.007 0.000 1.026 405 R CA -1.062 55.039 56.100 0.002 0.000 0.901 405 R CB 0.942 31.224 30.300 -0.029 0.000 1.243 405 R HN 0.196 nan 8.270 nan 0.000 0.463 406 N N -0.151 118.554 118.700 0.008 0.000 2.457 406 N HA 0.348 5.089 4.740 0.001 0.000 0.250 406 N C -1.474 174.038 175.510 0.003 0.000 0.982 406 N CA -0.245 52.807 53.050 0.004 0.000 0.941 406 N CB 1.950 40.444 38.487 0.011 0.000 1.120 406 N HN 0.400 nan 8.380 nan 0.000 0.505 407 T N 1.264 115.810 114.554 -0.014 0.000 2.916 407 T HA 0.418 4.768 4.350 0.001 0.000 0.298 407 T C -1.042 173.617 174.700 -0.069 0.000 1.031 407 T CA -0.839 61.248 62.100 -0.021 0.000 0.993 407 T CB 1.598 70.458 68.868 -0.013 0.000 1.045 407 T HN 0.609 nan 8.240 nan 0.000 0.454 408 E N 1.328 121.485 120.200 -0.070 0.000 2.392 408 E HA 0.498 4.848 4.350 0.001 0.000 0.279 408 E C -1.238 175.292 176.600 -0.118 0.000 0.964 408 E CA -1.261 55.071 56.400 -0.113 0.000 0.777 408 E CB 1.192 30.839 29.700 -0.088 0.000 1.249 408 E HN 0.695 nan 8.360 nan 0.000 0.449 409 N N -0.313 118.290 118.700 -0.162 0.000 2.725 409 N HA -0.114 4.626 4.740 0.001 0.000 0.256 409 N C -1.423 173.989 175.510 -0.163 0.000 1.087 409 N CA 0.377 53.337 53.050 -0.151 0.000 0.690 409 N CB -0.865 37.565 38.487 -0.095 0.000 0.891 409 N HN 0.317 nan 8.380 nan 0.000 0.553 410 V N 1.057 120.815 119.914 -0.260 0.000 2.604 410 V HA 0.712 4.832 4.120 0.001 0.000 0.305 410 V C -0.229 175.657 176.094 -0.346 0.000 1.043 410 V CA -0.783 61.333 62.300 -0.307 0.000 0.888 410 V CB 1.956 33.503 31.823 -0.460 0.000 0.995 410 V HN 0.272 nan 8.190 nan 0.000 0.429 411 L N 5.101 126.206 121.223 -0.196 0.000 2.406 411 L HA 0.710 5.050 4.340 0.001 0.000 0.272 411 L C -1.750 175.287 176.870 0.280 0.000 0.980 411 L CA -0.058 54.751 54.840 -0.052 0.000 0.831 411 L CB 1.524 43.581 42.059 -0.002 0.000 1.253 411 L HN 0.410 nan 8.230 nan 0.000 0.406 412 F N 3.440 123.523 119.950 0.221 0.000 2.434 412 F HA 0.474 5.002 4.527 0.001 0.000 0.355 412 F C -0.100 175.917 175.800 0.362 0.000 1.115 412 F CA -1.175 57.028 58.000 0.338 0.000 1.010 412 F CB 1.293 40.643 39.000 0.583 0.000 1.234 412 F HN 0.524 nan 8.300 nan 0.000 0.439 413 D N 1.968 122.592 120.400 0.373 0.000 2.481 413 D HA 0.251 4.891 4.640 0.001 0.000 0.244 413 D C -0.070 176.298 176.300 0.115 0.000 1.057 413 D CA -0.187 53.963 54.000 0.250 0.000 0.848 413 D CB 1.136 42.030 40.800 0.156 0.000 1.388 413 D HN 0.576 nan 8.370 nan 0.000 0.475 414 N N 2.347 121.098 118.700 0.086 0.000 2.648 414 N HA -0.155 4.585 4.740 0.001 0.000 0.265 414 N C -1.548 173.864 175.510 -0.163 0.000 1.100 414 N CA -0.032 53.007 53.050 -0.018 0.000 0.715 414 N CB -0.449 38.038 38.487 0.000 0.000 0.881 414 N HN 0.135 nan 8.380 nan 0.000 0.548 415 V N 1.914 121.589 119.914 -0.399 0.000 2.409 415 V HA 0.304 4.424 4.120 0.001 0.000 0.291 415 V C -0.062 175.708 176.094 -0.541 0.000 1.020 415 V CA -0.527 61.383 62.300 -0.650 0.000 0.848 415 V CB 1.666 32.660 31.823 -1.381 0.000 0.990 415 V HN 0.337 nan 8.190 nan 0.000 0.430 416 D N 4.247 124.453 120.400 -0.325 0.000 2.464 416 D HA 0.263 4.904 4.640 0.001 0.000 0.243 416 D C -0.417 175.755 176.300 -0.214 0.000 1.104 416 D CA -0.283 53.581 54.000 -0.227 0.000 0.883 416 D CB 1.788 42.504 40.800 -0.140 0.000 1.050 416 D HN 0.263 nan 8.370 nan 0.000 0.524 417 V N 6.761 126.543 119.914 -0.220 0.000 2.364 417 V HA 0.025 4.145 4.120 0.001 0.000 0.252 417 V C 2.070 178.031 176.094 -0.223 0.000 1.075 417 V CA -0.125 62.060 62.300 -0.191 0.000 1.033 417 V CB -0.112 31.620 31.823 -0.152 0.000 1.116 417 V HN 0.550 nan 8.190 nan 0.000 0.488 418 I N 1.134 121.544 120.570 -0.266 0.000 2.546 418 I HA 0.077 4.247 4.170 0.001 0.000 0.255 418 I C 0.786 176.415 176.117 -0.814 0.000 1.163 418 I CA 1.163 62.184 61.300 -0.465 0.000 1.457 418 I CB -0.177 37.580 38.000 -0.404 0.000 1.092 418 I HN 0.565 nan 8.210 nan 0.000 0.434 419 H N -0.324 118.489 119.070 -0.428 0.000 3.008 419 H HA 0.626 5.182 4.556 0.001 0.000 0.354 419 H C -1.238 173.935 175.328 -0.258 0.000 1.252 419 H CA -0.659 55.114 56.048 -0.457 0.000 1.117 419 H CB 1.591 30.792 29.762 -0.934 0.000 1.857 419 H HN 0.100 nan 8.280 nan 0.000 0.547 420 Q N 0.330 120.117 119.800 -0.021 0.000 2.391 420 Q HA 0.704 5.044 4.340 0.001 0.000 0.279 420 Q C -1.444 174.521 176.000 -0.057 0.000 1.028 420 Q CA -0.885 54.854 55.803 -0.106 0.000 0.836 420 Q CB 3.027 31.736 28.738 -0.049 0.000 1.414 420 Q HN 0.693 nan 8.270 nan 0.000 0.397 421 A N 1.825 124.559 122.820 -0.145 0.000 3.292 421 A HA 0.397 4.718 4.320 0.001 0.000 0.231 421 A C -1.369 176.261 177.584 0.077 0.000 0.952 421 A CA -0.333 51.723 52.037 0.031 0.000 1.044 421 A CB 0.134 19.214 19.000 0.133 0.000 1.236 421 A HN 0.576 nan 8.150 nan 0.000 0.525 422 Y N -0.659 119.732 120.300 0.151 0.000 2.426 422 Y HA 0.342 4.893 4.550 0.001 0.000 0.344 422 Y C 1.510 177.496 175.900 0.143 0.000 1.256 422 Y CA 1.084 59.266 58.100 0.136 0.000 1.451 422 Y CB 0.875 39.396 38.460 0.102 0.000 1.342 422 Y HN 0.405 nan 8.280 nan 0.000 0.600 423 A N 1.178 124.189 122.820 0.317 0.000 1.988 423 A HA 0.201 4.521 4.320 0.001 0.000 0.198 423 A C 0.296 177.982 177.584 0.170 0.000 1.507 423 A CA 0.550 52.717 52.037 0.218 0.000 0.901 423 A CB 0.008 19.115 19.000 0.179 0.000 1.007 423 A HN 0.830 nan 8.150 nan 0.000 0.502 424 N N -2.824 115.971 118.700 0.158 0.000 3.204 424 N HA 0.496 5.237 4.740 0.001 0.000 0.285 424 N C 0.736 176.305 175.510 0.097 0.000 1.536 424 N CA -0.116 53.004 53.050 0.116 0.000 0.832 424 N CB 1.249 39.797 38.487 0.102 0.000 1.645 424 N HN 0.053 nan 8.380 nan 0.000 0.586 425 A N 0.025 122.898 122.820 0.088 0.000 1.930 425 A HA 0.065 4.385 4.320 0.001 0.000 0.217 425 A C 1.979 179.626 177.584 0.106 0.000 1.175 425 A CA 1.845 53.938 52.037 0.094 0.000 0.627 425 A CB -1.439 17.628 19.000 0.111 0.000 0.815 425 A HN 0.794 nan 8.150 nan 0.000 0.443 426 G N -0.281 108.584 108.800 0.108 0.000 2.586 426 G HA2 -0.184 3.776 3.960 0.001 0.000 0.215 426 G HA3 -0.184 3.776 3.960 0.001 0.000 0.215 426 G C 1.008 175.990 174.900 0.136 0.000 1.128 426 G CA 0.772 45.944 45.100 0.121 0.000 0.774 426 G HN 0.546 nan 8.290 nan 0.000 0.543 427 N N 1.218 119.994 118.700 0.128 0.000 2.412 427 N HA -0.026 4.715 4.740 0.001 0.000 0.184 427 N C 0.335 175.912 175.510 0.112 0.000 1.101 427 N CA 0.060 53.206 53.050 0.160 0.000 0.881 427 N CB -0.055 38.573 38.487 0.235 0.000 0.969 427 N HN 0.165 nan 8.380 nan 0.000 0.459 428 N N 0.701 119.436 118.700 0.059 0.000 2.714 428 N HA -0.114 4.627 4.740 0.001 0.000 0.253 428 N C -2.523 172.909 175.510 -0.130 0.000 1.024 428 N CA 0.475 53.530 53.050 0.009 0.000 0.726 428 N CB -0.751 37.755 38.487 0.032 0.000 0.908 428 N HN 0.347 nan 8.380 nan 0.000 0.542 429 P HA 0.418 nan 4.420 nan 0.000 0.277 429 P C 0.670 177.665 177.300 -0.509 0.000 1.276 429 P CA 0.614 63.206 63.100 -0.846 0.000 0.788 429 P CB 0.884 31.893 31.700 -1.151 0.000 1.114 430 G N -1.227 107.284 108.800 -0.481 0.000 2.465 430 G HA2 -0.070 3.891 3.960 0.001 0.000 0.681 430 G HA3 -0.070 3.891 3.960 0.001 0.000 0.681 430 G C 0.316 175.114 174.900 -0.170 0.000 1.340 430 G CA -0.439 44.508 45.100 -0.257 0.000 0.884 430 G HN 0.343 nan 8.290 nan 0.000 0.650 431 I N -0.175 120.260 120.570 -0.224 0.000 2.235 431 I HA 0.148 4.319 4.170 0.001 0.000 0.241 431 I C 0.771 176.488 176.117 -0.666 0.000 1.085 431 I CA 1.033 62.060 61.300 -0.454 0.000 1.378 431 I CB -0.071 37.527 38.000 -0.671 0.000 1.076 431 I HN 0.299 nan 8.210 nan 0.000 0.415 432 F N 1.040 120.870 119.950 -0.200 0.000 2.325 432 F HA 0.543 5.071 4.527 0.001 0.000 0.369 432 F C 0.552 176.318 175.800 -0.055 0.000 1.095 432 F CA -0.690 57.123 58.000 -0.312 0.000 1.082 432 F CB 1.055 39.735 39.000 -0.534 0.000 1.289 432 F HN -0.162 nan 8.300 nan 0.000 0.462 433 G N 1.253 110.108 108.800 0.092 0.000 2.537 433 G HA2 0.782 4.742 3.960 0.001 0.000 0.308 433 G HA3 0.782 4.742 3.960 0.001 0.000 0.308 433 G C -1.591 173.195 174.900 -0.190 0.000 1.237 433 G CA -1.193 43.877 45.100 -0.050 0.000 0.968 433 G HN 0.744 nan 8.290 nan 0.000 0.481 434 A N 0.558 123.130 122.820 -0.414 0.000 2.741 434 A HA 0.576 4.896 4.320 0.001 0.000 0.298 434 A C 0.188 177.519 177.584 -0.422 0.000 1.153 434 A CA -0.093 51.544 52.037 -0.667 0.000 0.816 434 A CB 0.181 18.432 19.000 -1.248 0.000 1.396 434 A HN 2.066 nan 8.150 nan 0.000 0.407 435 V N 1.008 120.654 119.914 -0.446 0.000 3.843 435 V HA 0.260 4.380 4.120 0.001 0.000 0.289 435 V C 0.835 176.763 176.094 -0.277 0.000 1.065 435 V CA 0.191 62.256 62.300 -0.391 0.000 1.079 435 V CB -0.011 31.331 31.823 -0.801 0.000 1.192 435 V HN 0.836 nan 8.190 nan 0.000 0.464 436 N N 0.009 118.658 118.700 -0.085 0.000 2.294 436 N HA 0.100 4.841 4.740 0.001 0.000 0.248 436 N C 0.089 175.702 175.510 0.171 0.000 1.300 436 N CA 0.040 53.200 53.050 0.185 0.000 0.925 436 N CB 0.126 38.811 38.487 0.331 0.000 1.188 436 N HN 0.970 nan 8.380 nan 0.000 0.512 437 N N 0.489 119.409 118.700 0.366 0.000 2.405 437 N HA -0.049 4.692 4.740 0.001 0.000 0.260 437 N C 0.601 176.327 175.510 0.360 0.000 1.152 437 N CA -0.292 52.976 53.050 0.364 0.000 0.948 437 N CB 0.259 39.017 38.487 0.452 0.000 1.111 437 N HN 0.596 nan 8.380 nan 0.000 0.485 438 Y N 4.360 124.923 120.300 0.439 0.000 2.365 438 Y HA -0.161 4.390 4.550 0.001 0.000 0.287 438 Y C 1.035 177.018 175.900 0.138 0.000 1.162 438 Y CA 1.043 59.395 58.100 0.419 0.000 1.260 438 Y CB -0.087 38.608 38.460 0.390 0.000 0.976 438 Y HN 0.579 nan 8.280 nan 0.000 0.548 439 L N -0.993 119.629 121.223 -1.002 0.000 2.141 439 L HA -0.173 4.167 4.340 0.001 0.000 0.209 439 L C 1.184 177.523 176.870 -0.885 0.000 1.094 439 L CA 1.474 55.608 54.840 -1.177 0.000 0.763 439 L CB -0.361 41.020 42.059 -1.131 0.000 0.908 439 L HN 0.327 nan 8.230 nan 0.000 0.437 440 Y N -1.913 118.339 120.300 -0.081 0.000 2.471 440 Y HA 0.446 4.996 4.550 0.001 0.000 0.249 440 Y C 0.864 176.800 175.900 0.060 0.000 1.116 440 Y CA -0.035 58.066 58.100 0.002 0.000 1.240 440 Y CB 0.548 39.022 38.460 0.023 0.000 1.251 440 Y HN -0.041 nan 8.280 nan 0.000 0.527 441 A N 0.808 123.763 122.820 0.225 0.000 3.453 441 A HA 0.357 4.677 4.320 0.001 0.000 0.262 441 A C -1.975 175.808 177.584 0.332 0.000 1.026 441 A CA -0.986 51.199 52.037 0.246 0.000 0.938 441 A CB 0.113 19.267 19.000 0.256 0.000 1.246 441 A HN -0.045 nan 8.150 nan 0.000 0.546 442 P HA -0.252 nan 4.420 nan 0.000 0.218 442 P C 0.541 178.136 177.300 0.493 0.000 1.147 442 P CA 2.049 65.382 63.100 0.388 0.000 0.827 442 P CB 0.059 31.905 31.700 0.244 0.000 0.778 443 D N -1.969 118.672 120.400 0.403 0.000 2.339 443 D HA 0.113 4.754 4.640 0.001 0.000 0.217 443 D C 1.480 178.030 176.300 0.416 0.000 1.050 443 D CA 0.422 54.663 54.000 0.403 0.000 0.856 443 D CB -0.937 40.020 40.800 0.261 0.000 0.922 443 D HN 0.268 nan 8.370 nan 0.000 0.518 444 G N 0.132 109.172 108.800 0.400 0.000 2.184 444 G HA2 -0.267 3.694 3.960 0.001 0.000 0.264 444 G HA3 -0.267 3.694 3.960 0.001 0.000 0.264 444 G C -0.069 174.884 174.900 0.087 0.000 0.975 444 G CA 0.438 45.552 45.100 0.023 0.000 0.642 444 G HN 0.476 nan 8.290 nan 0.000 0.536 445 L N 0.710 122.031 121.223 0.162 0.000 2.406 445 L HA 0.740 5.081 4.340 0.001 0.000 0.272 445 L C -0.432 176.513 176.870 0.125 0.000 0.980 445 L CA -0.253 54.677 54.840 0.150 0.000 0.831 445 L CB 2.087 44.228 42.059 0.136 0.000 1.253 445 L HN 0.287 nan 8.230 nan 0.000 0.406 446 S N 0.617 116.381 115.700 0.106 0.000 2.565 446 S HA 0.240 4.711 4.470 0.001 0.000 0.274 446 S C 0.508 175.051 174.600 -0.095 0.000 1.144 446 S CA 0.076 58.291 58.200 0.025 0.000 0.849 446 S CB 1.690 64.922 63.200 0.055 0.000 1.103 446 S HN 0.696 nan 8.310 nan 0.000 0.455 447 S N 2.282 117.850 115.700 -0.220 0.000 2.461 447 S HA 0.033 4.504 4.470 0.001 0.000 0.228 447 S C 0.708 174.809 174.600 -0.832 0.000 1.005 447 S CA 0.414 58.337 58.200 -0.463 0.000 0.942 447 S CB -0.603 62.418 63.200 -0.298 0.000 0.776 447 S HN 0.708 nan 8.310 nan 0.000 0.514 448 N N 2.598 120.986 118.700 -0.520 0.000 2.416 448 N HA -0.054 4.687 4.740 0.001 0.000 0.271 448 N C -0.444 174.609 175.510 -0.761 0.000 1.245 448 N CA 0.168 52.907 53.050 -0.518 0.000 0.940 448 N CB -0.130 38.190 38.487 -0.278 0.000 1.175 448 N HN 0.311 nan 8.380 nan 0.000 0.483 449 H N 1.476 120.062 119.070 -0.806 0.000 2.469 449 H HA 0.260 4.816 4.556 0.001 0.000 0.286 449 H C -0.132 174.515 175.328 -1.135 0.000 1.106 449 H CA -0.276 54.670 56.048 -1.837 0.000 1.055 449 H CB 0.110 28.871 29.762 -1.669 0.000 1.618 449 H HN 0.359 nan 8.280 nan 0.000 0.559 450 S N 0.624 116.043 115.700 -0.469 0.000 2.457 450 S HA 0.084 4.554 4.470 0.001 0.000 0.237 450 S C 1.037 175.614 174.600 -0.038 0.000 1.213 450 S CA -0.241 57.903 58.200 -0.093 0.000 1.218 450 S CB 0.144 63.297 63.200 -0.079 0.000 0.922 450 S HN 0.518 nan 8.310 nan 0.000 0.488 451 T N -2.165 112.453 114.554 0.107 0.000 3.337 451 T HA 0.385 4.735 4.350 0.001 0.000 0.299 451 T C 0.778 175.720 174.700 0.404 0.000 0.998 451 T CA -0.306 61.891 62.100 0.161 0.000 0.948 451 T CB 0.389 69.303 68.868 0.077 0.000 1.170 451 T HN 0.285 nan 8.240 nan 0.000 0.508 452 G N 1.029 110.132 108.800 0.505 0.000 2.563 452 G HA2 0.474 4.434 3.960 0.001 0.000 0.283 452 G HA3 0.474 4.434 3.960 0.001 0.000 0.283 452 G C -0.691 174.338 174.900 0.215 0.000 1.309 452 G CA -0.680 44.645 45.100 0.375 0.000 1.022 452 G HN 0.348 nan 8.290 nan 0.000 0.501 453 N N -0.764 118.019 118.700 0.139 0.000 2.531 453 N HA 0.117 4.858 4.740 0.001 0.000 0.268 453 N C 0.976 176.534 175.510 0.080 0.000 1.023 453 N CA -0.208 52.904 53.050 0.104 0.000 0.896 453 N CB 1.723 40.260 38.487 0.084 0.000 1.233 453 N HN 0.334 nan 8.380 nan 0.000 0.512 454 S N 2.192 117.944 115.700 0.088 0.000 2.603 454 S HA 0.049 4.520 4.470 0.001 0.000 0.229 454 S C 0.641 175.271 174.600 0.050 0.000 0.972 454 S CA 0.220 58.463 58.200 0.071 0.000 0.935 454 S CB -0.087 63.164 63.200 0.085 0.000 0.769 454 S HN 0.506 nan 8.310 nan 0.000 0.536 455 N N 0.568 119.297 118.700 0.047 0.000 2.236 455 N HA 0.314 5.055 4.740 0.001 0.000 0.196 455 N C -0.074 175.451 175.510 0.026 0.000 1.114 455 N CA 0.289 53.360 53.050 0.035 0.000 0.859 455 N CB 0.268 38.778 38.487 0.038 0.000 0.982 455 N HN 0.490 nan 8.380 nan 0.000 0.493 456 M N 0.076 119.690 119.600 0.024 0.000 2.644 456 M HA 0.377 4.857 4.480 0.001 0.000 0.316 456 M C -0.568 175.731 176.300 -0.001 0.000 1.200 456 M CA -0.193 55.115 55.300 0.013 0.000 0.944 456 M CB 2.297 34.908 32.600 0.018 0.000 1.691 456 M HN -0.269 nan 8.290 nan 0.000 0.471 457 T N 0.842 115.389 114.554 -0.012 0.000 2.956 457 T HA 0.486 4.836 4.350 0.001 0.000 0.312 457 T C -1.151 173.524 174.700 -0.042 0.000 1.151 457 T CA -0.620 61.462 62.100 -0.030 0.000 1.024 457 T CB 2.187 71.032 68.868 -0.038 0.000 1.140 457 T HN 0.380 nan 8.240 nan 0.000 0.473 458 V N 4.139 124.019 119.914 -0.057 0.000 2.347 458 V HA 0.646 4.766 4.120 0.001 0.000 0.280 458 V C 0.187 176.188 176.094 -0.156 0.000 1.021 458 V CA -0.661 61.588 62.300 -0.086 0.000 0.847 458 V CB 0.945 32.746 31.823 -0.038 0.000 0.990 458 V HN 0.856 nan 8.190 nan 0.000 0.444 459 R N 3.080 123.472 120.500 -0.179 0.000 2.888 459 R HA 0.628 4.969 4.340 0.001 0.000 0.264 459 R C -0.059 176.082 176.300 -0.266 0.000 1.045 459 R CA -0.960 55.011 56.100 -0.215 0.000 0.962 459 R CB 0.756 30.963 30.300 -0.154 0.000 1.210 459 R HN 0.426 nan 8.270 nan 0.000 0.479 460 N N 0.438 118.966 118.700 -0.286 0.000 2.667 460 N HA -0.134 4.606 4.740 0.001 0.000 0.263 460 N C -1.298 173.972 175.510 -0.400 0.000 1.038 460 N CA 0.564 53.433 53.050 -0.302 0.000 0.749 460 N CB -0.507 37.850 38.487 -0.216 0.000 0.892 460 N HN 0.573 nan 8.380 nan 0.000 0.546 461 I N 0.874 121.100 120.570 -0.572 0.000 2.404 461 I HA 0.350 4.520 4.170 0.001 0.000 0.293 461 I C 0.461 176.028 176.117 -0.916 0.000 0.992 461 I CA -0.307 60.504 61.300 -0.816 0.000 1.149 461 I CB 1.544 38.865 38.000 -1.130 0.000 1.315 461 I HN 0.125 nan 8.210 nan 0.000 0.446 462 T N 5.942 120.020 114.554 -0.793 0.000 2.847 462 T HA 0.375 4.726 4.350 0.001 0.000 0.291 462 T C -1.040 173.412 174.700 -0.412 0.000 0.998 462 T CA -0.359 61.389 62.100 -0.587 0.000 0.967 462 T CB 0.851 69.534 68.868 -0.308 0.000 0.954 462 T HN 0.310 nan 8.240 nan 0.000 0.441 463 W N 3.998 125.088 121.300 -0.350 0.000 2.299 463 W HA 0.524 5.185 4.660 0.001 0.000 0.319 463 W C 0.301 176.771 176.519 -0.082 0.000 1.008 463 W CA -1.202 56.004 57.345 -0.232 0.000 1.384 463 W CB 0.477 29.520 29.460 -0.694 0.000 1.220 463 W HN 0.644 nan 8.180 nan 0.000 0.402 464 S N 1.918 117.839 115.700 0.368 0.000 2.536 464 S HA 0.422 4.893 4.470 0.001 0.000 0.298 464 S C 0.229 175.068 174.600 0.399 0.000 1.083 464 S CA -0.669 57.707 58.200 0.294 0.000 0.995 464 S CB 1.773 65.063 63.200 0.151 0.000 1.058 464 S HN 0.462 nan 8.310 nan 0.000 0.488 465 N N -0.057 118.826 118.700 0.305 0.000 2.740 465 N HA -0.142 4.599 4.740 0.001 0.000 0.248 465 N C -1.265 174.408 175.510 0.272 0.000 1.062 465 N CA 0.585 53.779 53.050 0.239 0.000 0.704 465 N CB -1.505 37.068 38.487 0.143 0.000 0.968 465 N HN 0.603 nan 8.380 nan 0.000 0.547 466 F N 0.778 120.804 119.950 0.127 0.000 2.382 466 F HA 0.444 4.972 4.527 0.001 0.000 0.331 466 F C 1.205 177.025 175.800 0.034 0.000 1.121 466 F CA -0.136 57.913 58.000 0.081 0.000 1.183 466 F CB 0.932 40.011 39.000 0.131 0.000 1.207 466 F HN 0.001 nan 8.300 nan 0.000 0.555 467 R N 1.514 122.042 120.500 0.048 0.000 2.535 467 R HA 0.724 5.064 4.340 0.001 0.000 0.274 467 R C -2.010 174.255 176.300 -0.058 0.000 1.090 467 R CA -0.648 55.457 56.100 0.008 0.000 0.930 467 R CB 1.500 31.784 30.300 -0.027 0.000 1.223 467 R HN 0.710 nan 8.270 nan 0.000 0.441 468 A N 4.093 126.882 122.820 -0.052 0.000 2.310 468 A HA 0.414 4.734 4.320 0.001 0.000 0.304 468 A C -0.783 176.730 177.584 -0.118 0.000 1.231 468 A CA -0.711 51.268 52.037 -0.096 0.000 0.799 468 A CB 0.877 19.829 19.000 -0.079 0.000 1.162 468 A HN 0.791 nan 8.150 nan 0.000 0.486 469 E N 1.352 121.450 120.200 -0.170 0.000 2.318 469 E HA 0.557 4.907 4.350 0.001 0.000 0.265 469 E C 0.822 177.310 176.600 -0.187 0.000 1.069 469 E CA 0.182 56.469 56.400 -0.188 0.000 0.893 469 E CB 1.115 30.661 29.700 -0.256 0.000 1.076 469 E HN 1.363 nan 8.360 nan 0.000 0.414 470 G N 1.533 110.251 108.800 -0.135 0.000 2.752 470 G HA2 -0.277 3.683 3.960 0.001 0.000 0.234 470 G HA3 -0.277 3.683 3.960 0.001 0.000 0.234 470 G C -0.004 174.866 174.900 -0.049 0.000 1.367 470 G CA -0.282 44.773 45.100 -0.076 0.000 0.879 470 G HN 0.801 nan 8.290 nan 0.000 0.563 471 S N -1.013 114.686 115.700 -0.001 0.000 2.573 471 S HA 0.581 5.051 4.470 0.001 0.000 0.277 471 S C 0.410 175.026 174.600 0.027 0.000 1.346 471 S CA 0.972 59.188 58.200 0.026 0.000 1.034 471 S CB 1.616 64.858 63.200 0.071 0.000 0.879 471 S HN 2.337 nan 8.310 nan 0.000 0.528 472 S N 0.799 116.521 115.700 0.036 0.000 2.618 472 S HA 0.703 5.173 4.470 0.001 0.000 0.277 472 S C -0.155 174.548 174.600 0.170 0.000 1.138 472 S CA -0.333 57.903 58.200 0.060 0.000 0.844 472 S CB 1.235 64.394 63.200 -0.068 0.000 1.127 472 S HN 1.299 nan 8.310 nan 0.000 0.474 473 S N 2.102 117.919 115.700 0.195 0.000 2.671 473 S HA 0.790 5.261 4.470 0.001 0.000 0.272 473 S C 0.598 175.279 174.600 0.136 0.000 1.174 473 S CA -0.286 57.994 58.200 0.133 0.000 1.004 473 S CB 0.223 63.370 63.200 -0.087 0.000 1.077 473 S HN 1.435 nan 8.310 nan 0.000 0.553 474 A N 0.187 123.035 122.820 0.047 0.000 2.520 474 A HA 0.293 4.614 4.320 0.001 0.000 0.235 474 A C 1.138 178.719 177.584 -0.004 0.000 1.065 474 A CA -0.349 51.713 52.037 0.042 0.000 0.764 474 A CB -0.471 18.420 19.000 -0.181 0.000 1.002 474 A HN 1.097 nan 8.150 nan 0.000 0.502 475 L N 1.596 122.857 121.223 0.064 0.000 2.013 475 L HA 0.040 4.381 4.340 0.001 0.000 0.212 475 L C 0.446 177.433 176.870 0.195 0.000 1.073 475 L CA 2.418 57.307 54.840 0.082 0.000 0.753 475 L CB -0.640 41.476 42.059 0.094 0.000 0.890 475 L HN 0.829 nan 8.230 nan 0.000 0.432 476 F N -2.390 117.554 119.950 -0.010 0.000 2.641 476 F HA 0.647 5.175 4.527 0.001 0.000 0.308 476 F C -0.583 175.008 175.800 -0.347 0.000 1.105 476 F CA -1.279 56.686 58.000 -0.059 0.000 0.964 476 F CB 0.989 40.066 39.000 0.128 0.000 1.294 476 F HN -0.330 nan 8.300 nan 0.000 0.442 477 R N 4.029 124.316 120.500 -0.355 0.000 2.734 477 R HA 0.494 4.835 4.340 0.001 0.000 0.268 477 R C -1.679 174.223 176.300 -0.664 0.000 1.785 477 R CA -0.394 55.005 56.100 -1.167 0.000 1.461 477 R CB 1.488 30.873 30.300 -1.525 0.000 1.308 477 R HN 0.719 nan 8.270 nan 0.000 0.586 478 I N 1.590 122.061 120.570 -0.164 0.000 2.354 478 I HA 0.252 4.423 4.170 0.001 0.000 0.292 478 I C -0.067 176.121 176.117 0.118 0.000 0.989 478 I CA -0.750 60.539 61.300 -0.017 0.000 1.188 478 I CB 1.526 39.608 38.000 0.136 0.000 1.342 478 I HN 0.242 nan 8.210 nan 0.000 0.457 479 N N 7.990 126.649 118.700 -0.068 0.000 2.485 479 N HA 0.275 5.016 4.740 0.001 0.000 0.243 479 N C -2.502 172.588 175.510 -0.700 0.000 0.987 479 N CA -1.403 51.510 53.050 -0.230 0.000 0.940 479 N CB 1.593 39.983 38.487 -0.162 0.000 1.122 479 N HN 0.201 nan 8.380 nan 0.000 0.509 480 P HA 0.095 nan 4.420 nan 0.000 0.264 480 P C 1.141 178.001 177.300 -0.732 0.000 1.537 480 P CA 0.011 62.819 63.100 -0.487 0.000 1.189 480 P CB -0.266 31.288 31.700 -0.243 0.000 1.687 481 I N -0.360 119.751 120.570 -0.766 0.000 3.428 481 I HA 0.018 4.188 4.170 0.001 0.000 0.286 481 I C 0.574 176.569 176.117 -0.203 0.000 1.287 481 I CA 0.413 61.321 61.300 -0.652 0.000 1.396 481 I CB -0.290 37.367 38.000 -0.573 0.000 1.062 481 I HN 0.174 nan 8.210 nan 0.000 0.471 482 Q N 1.099 120.803 119.800 -0.160 0.000 2.626 482 Q HA 0.372 4.713 4.340 0.001 0.000 0.300 482 Q C -1.479 174.483 176.000 -0.063 0.000 0.988 482 Q CA -0.830 54.940 55.803 -0.055 0.000 0.761 482 Q CB 0.703 29.423 28.738 -0.029 0.000 1.494 482 Q HN 0.132 nan 8.270 nan 0.000 0.439 483 N N 0.509 119.188 118.700 -0.036 0.000 2.453 483 N HA 0.322 5.062 4.740 0.001 0.000 0.253 483 N C -0.408 175.059 175.510 -0.072 0.000 1.252 483 N CA 0.224 53.242 53.050 -0.054 0.000 0.917 483 N CB 0.476 38.943 38.487 -0.033 0.000 1.117 483 N HN 0.424 nan 8.380 nan 0.000 0.442 484 L N 0.836 121.998 121.223 -0.102 0.000 2.362 484 L HA 0.439 4.779 4.340 0.001 0.000 0.275 484 L C -0.563 176.231 176.870 -0.128 0.000 0.998 484 L CA -0.775 53.999 54.840 -0.110 0.000 0.820 484 L CB 1.874 43.879 42.059 -0.091 0.000 1.270 484 L HN 0.475 nan 8.230 nan 0.000 0.415 485 D N 2.313 122.614 120.400 -0.165 0.000 2.977 485 D HA 0.186 4.826 4.640 0.001 0.000 0.220 485 D C -0.245 175.918 176.300 -0.228 0.000 1.267 485 D CA -0.284 53.619 54.000 -0.161 0.000 0.884 485 D CB 1.265 41.994 40.800 -0.119 0.000 1.667 485 D HN 0.603 nan 8.370 nan 0.000 0.536 486 N N 2.856 121.419 118.700 -0.229 0.000 2.756 486 N HA -0.212 4.529 4.740 0.001 0.000 0.248 486 N C -1.112 174.142 175.510 -0.427 0.000 1.062 486 N CA 0.219 53.103 53.050 -0.278 0.000 0.696 486 N CB -0.675 37.674 38.487 -0.230 0.000 0.946 486 N HN 0.548 nan 8.380 nan 0.000 0.548 487 I N 1.640 121.873 120.570 -0.562 0.000 2.330 487 I HA 0.352 4.522 4.170 0.001 0.000 0.289 487 I C -0.307 175.258 176.117 -0.921 0.000 1.001 487 I CA -0.357 60.405 61.300 -0.896 0.000 1.193 487 I CB 1.117 38.422 38.000 -1.158 0.000 1.345 487 I HN 0.251 nan 8.210 nan 0.000 0.461 488 S N 7.480 122.696 115.700 -0.807 0.000 2.561 488 S HA 0.598 5.068 4.470 0.001 0.000 0.303 488 S C -0.672 173.607 174.600 -0.534 0.000 1.110 488 S CA -0.790 57.058 58.200 -0.587 0.000 1.034 488 S CB 1.510 64.491 63.200 -0.364 0.000 1.010 488 S HN 0.565 nan 8.310 nan 0.000 0.482 489 I N 3.120 123.437 120.570 -0.422 0.000 2.304 489 I HA 0.344 4.515 4.170 0.001 0.000 0.291 489 I C -0.037 176.016 176.117 -0.106 0.000 1.018 489 I CA -0.344 60.788 61.300 -0.281 0.000 1.260 489 I CB 1.052 38.889 38.000 -0.271 0.000 1.390 489 I HN 0.538 nan 8.210 nan 0.000 0.475 490 K N 6.403 126.783 120.400 -0.034 0.000 2.450 490 K HA 0.367 4.687 4.320 0.001 0.000 0.257 490 K C -1.051 175.613 176.600 0.107 0.000 0.953 490 K CA -0.913 55.393 56.287 0.033 0.000 0.844 490 K CB 1.356 33.860 32.500 0.007 0.000 1.103 490 K HN 0.540 nan 8.250 nan 0.000 0.429 491 N N 1.050 119.830 118.700 0.134 0.000 2.385 491 N HA -0.165 4.576 4.740 0.001 0.000 0.290 491 N C -1.411 174.228 175.510 0.215 0.000 1.440 491 N CA 0.393 53.543 53.050 0.166 0.000 0.633 491 N CB -0.385 38.184 38.487 0.136 0.000 0.927 491 N HN 0.404 nan 8.380 nan 0.000 0.496 492 V N 1.638 121.698 119.914 0.244 0.000 2.655 492 V HA 0.670 4.791 4.120 0.001 0.000 0.301 492 V C -0.687 175.590 176.094 0.305 0.000 1.082 492 V CA -0.229 62.227 62.300 0.261 0.000 0.899 492 V CB 1.918 33.864 31.823 0.205 0.000 1.014 492 V HN 0.688 nan 8.190 nan 0.000 0.429 493 S N 7.238 123.074 115.700 0.226 0.000 2.478 493 S HA 0.744 5.214 4.470 0.001 0.000 0.312 493 S C -0.743 173.926 174.600 0.114 0.000 1.094 493 S CA -0.680 57.639 58.200 0.199 0.000 1.081 493 S CB 1.535 64.804 63.200 0.116 0.000 1.007 493 S HN 0.651 nan 8.310 nan 0.000 0.475 494 I N 3.048 123.678 120.570 0.100 0.000 2.371 494 I HA 0.247 4.418 4.170 0.001 0.000 0.282 494 I C 1.514 177.552 176.117 -0.132 0.000 1.031 494 I CA -0.470 60.785 61.300 -0.074 0.000 1.180 494 I CB 1.291 39.150 38.000 -0.235 0.000 1.336 494 I HN 0.949 nan 8.210 nan 0.000 0.467 495 E N 4.265 124.404 120.200 -0.102 0.000 2.114 495 E HA -0.219 4.132 4.350 0.001 0.000 0.199 495 E C 0.570 177.110 176.600 -0.099 0.000 1.008 495 E CA 1.216 57.565 56.400 -0.084 0.000 0.810 495 E CB 0.323 29.977 29.700 -0.076 0.000 0.739 495 E HN 0.553 nan 8.360 nan 0.000 0.456 496 S N -2.097 113.514 115.700 -0.148 0.000 2.552 496 S HA 0.413 4.884 4.470 0.001 0.000 0.272 496 S C -1.407 173.102 174.600 -0.152 0.000 1.150 496 S CA -0.937 57.200 58.200 -0.105 0.000 0.849 496 S CB 0.468 63.661 63.200 -0.012 0.000 1.113 496 S HN 0.161 nan 8.310 nan 0.000 0.458 497 F N 2.359 122.341 119.950 0.052 0.000 2.379 497 F HA 0.438 4.966 4.527 0.001 0.000 0.332 497 F C 1.155 176.988 175.800 0.056 0.000 1.096 497 F CA -0.486 57.549 58.000 0.059 0.000 1.105 497 F CB 1.094 40.126 39.000 0.053 0.000 1.189 497 F HN 0.614 nan 8.300 nan 0.000 0.515 498 E N 3.457 123.830 120.200 0.288 0.000 2.410 498 E HA 0.089 4.440 4.350 0.001 0.000 0.255 498 E C -2.188 174.511 176.600 0.165 0.000 1.194 498 E CA -1.649 54.867 56.400 0.193 0.000 0.955 498 E CB -0.103 29.714 29.700 0.196 0.000 0.988 498 E HN 0.236 nan 8.360 nan 0.000 0.461 499 P HA -0.127 nan 4.420 nan 0.000 0.262 499 P C 0.406 177.752 177.300 0.077 0.000 1.182 499 P CA 0.206 63.361 63.100 0.092 0.000 0.761 499 P CB 0.625 32.373 31.700 0.081 0.000 0.795 500 L N 4.557 125.810 121.223 0.050 0.000 2.131 500 L HA -0.197 4.143 4.340 0.001 0.000 0.210 500 L C 2.452 179.339 176.870 0.029 0.000 1.092 500 L CA 2.416 57.269 54.840 0.021 0.000 0.759 500 L CB -1.326 40.730 42.059 -0.004 0.000 0.903 500 L HN 0.455 nan 8.230 nan 0.000 0.435 501 S N -0.470 115.253 115.700 0.038 0.000 2.469 501 S HA -0.175 4.295 4.470 0.001 0.000 0.238 501 S C 1.815 176.445 174.600 0.049 0.000 0.998 501 S CA 1.173 59.396 58.200 0.039 0.000 0.957 501 S CB -1.084 62.140 63.200 0.040 0.000 0.764 501 S HN 0.677 nan 8.310 nan 0.000 0.514 502 I N -2.108 118.500 120.570 0.062 0.000 3.684 502 I HA 0.253 4.424 4.170 0.001 0.000 0.304 502 I C -0.069 176.091 176.117 0.071 0.000 1.278 502 I CA -0.199 61.146 61.300 0.075 0.000 1.272 502 I CB -0.660 37.399 38.000 0.099 0.000 1.029 502 I HN 0.003 nan 8.210 nan 0.000 0.458 503 N N 1.966 120.700 118.700 0.058 0.000 2.756 503 N HA -0.142 4.598 4.740 0.001 0.000 0.248 503 N C 0.380 175.925 175.510 0.058 0.000 1.062 503 N CA 1.229 54.315 53.050 0.060 0.000 0.696 503 N CB -1.268 37.260 38.487 0.068 0.000 0.946 503 N HN 0.565 nan 8.380 nan 0.000 0.548 504 T N -2.654 111.927 114.554 0.045 0.000 3.016 504 T HA 0.067 4.418 4.350 0.001 0.000 0.271 504 T C 1.644 176.350 174.700 0.009 0.000 0.968 504 T CA 0.821 62.927 62.100 0.010 0.000 0.891 504 T CB 0.556 69.445 68.868 0.036 0.000 1.149 504 T HN 0.476 nan 8.240 nan 0.000 0.524 505 T N -0.486 114.083 114.554 0.026 0.000 3.037 505 T HA 0.257 4.607 4.350 0.001 0.000 0.251 505 T C 0.536 175.175 174.700 -0.102 0.000 1.079 505 T CA -0.041 62.077 62.100 0.030 0.000 1.067 505 T CB 0.074 68.912 68.868 -0.050 0.000 0.948 505 T HN 0.226 nan 8.240 nan 0.000 0.496 506 E N 2.162 122.304 120.200 -0.098 0.000 2.316 506 E HA 0.414 4.764 4.350 0.001 0.000 0.275 506 E C -0.610 175.885 176.600 -0.175 0.000 1.029 506 E CA -0.335 56.002 56.400 -0.106 0.000 0.871 506 E CB 0.938 30.633 29.700 -0.009 0.000 1.022 506 E HN 0.206 nan 8.360 nan 0.000 0.418 507 S N 3.742 119.253 115.700 -0.316 0.000 2.586 507 S HA 0.491 4.961 4.470 0.001 0.000 0.274 507 S C -0.683 173.661 174.600 -0.428 0.000 1.281 507 S CA -0.756 57.015 58.200 -0.715 0.000 1.035 507 S CB 0.499 62.893 63.200 -1.344 0.000 0.962 507 S HN 0.483 nan 8.310 nan 0.000 0.512 508 W N 1.197 122.299 121.300 -0.329 0.000 3.074 508 W HA 0.676 5.336 4.660 0.001 0.000 0.332 508 W C -1.548 175.057 176.519 0.142 0.000 1.253 508 W CA -1.056 56.255 57.345 -0.057 0.000 1.180 508 W CB 1.589 31.035 29.460 -0.023 0.000 1.445 508 W HN 0.569 nan 8.180 nan 0.000 0.573 509 M N 4.231 124.228 119.600 0.662 0.000 2.412 509 M HA 0.170 4.651 4.480 0.001 0.000 0.185 509 M C -3.014 173.538 176.300 0.420 0.000 0.985 509 M CA -1.180 54.450 55.300 0.551 0.000 0.950 509 M CB 1.812 34.648 32.600 0.395 0.000 2.903 509 M HN 0.051 nan 8.290 nan 0.000 0.392 510 P HA 0.123 nan 4.420 nan 0.000 0.279 510 P C -0.232 177.181 177.300 0.189 0.000 1.239 510 P CA -0.172 62.975 63.100 0.078 0.000 0.789 510 P CB 1.818 33.389 31.700 -0.216 0.000 0.933 511 V N 4.360 124.247 119.914 -0.044 0.000 2.694 511 V HA 0.016 4.136 4.120 0.001 0.000 0.306 511 V C -0.567 175.513 176.094 -0.023 0.000 1.054 511 V CA 0.522 62.725 62.300 -0.162 0.000 1.161 511 V CB -0.675 30.861 31.823 -0.479 0.000 0.916 511 V HN 0.494 nan 8.190 nan 0.000 0.490 512 W N 5.080 126.255 121.300 -0.209 0.000 2.736 512 W HA 0.686 5.347 4.660 0.001 0.000 0.355 512 W C -1.035 175.189 176.519 -0.492 0.000 1.102 512 W CA -0.390 56.842 57.345 -0.188 0.000 1.164 512 W CB 1.605 31.055 29.460 -0.016 0.000 1.422 512 W HN 0.473 nan 8.180 nan 0.000 0.572 513 Y N 0.750 121.210 120.300 0.267 0.000 2.512 513 Y HA 0.167 4.717 4.550 0.001 0.000 0.348 513 Y C 0.230 176.234 175.900 0.174 0.000 0.990 513 Y CA -1.389 56.807 58.100 0.160 0.000 1.033 513 Y CB 1.300 39.783 38.460 0.038 0.000 1.259 513 Y HN 0.206 nan 8.280 nan 0.000 0.461 514 D N 2.023 122.597 120.400 0.290 0.000 2.455 514 D HA -0.062 4.578 4.640 0.001 0.000 0.241 514 D C 0.906 177.297 176.300 0.151 0.000 1.138 514 D CA 0.214 54.333 54.000 0.199 0.000 0.877 514 D CB 1.272 42.162 40.800 0.150 0.000 1.187 514 D HN 0.692 nan 8.370 nan 0.000 0.451 515 L N 5.345 126.642 121.223 0.124 0.000 2.079 515 L HA -0.187 4.154 4.340 0.001 0.000 0.210 515 L C 1.511 178.397 176.870 0.026 0.000 1.081 515 L CA 1.695 56.566 54.840 0.051 0.000 0.752 515 L CB -0.251 41.838 42.059 0.051 0.000 0.896 515 L HN 0.425 nan 8.230 nan 0.000 0.433 516 N N -0.993 117.736 118.700 0.048 0.000 2.508 516 N HA -0.002 4.738 4.740 0.001 0.000 0.186 516 N C 1.512 177.042 175.510 0.032 0.000 1.034 516 N CA 1.308 54.379 53.050 0.034 0.000 0.885 516 N CB -0.415 38.097 38.487 0.041 0.000 1.135 516 N HN 0.479 nan 8.380 nan 0.000 0.435 517 N N 0.283 119.013 118.700 0.050 0.000 2.354 517 N HA 0.001 4.741 4.740 0.001 0.000 0.179 517 N C 0.882 176.423 175.510 0.052 0.000 1.021 517 N CA 0.661 53.740 53.050 0.049 0.000 0.887 517 N CB 0.341 38.865 38.487 0.061 0.000 0.974 517 N HN 0.280 nan 8.380 nan 0.000 0.437 518 G N 1.749 110.594 108.800 0.074 0.000 2.179 518 G HA2 -0.339 3.621 3.960 0.001 0.000 0.260 518 G HA3 -0.339 3.621 3.960 0.001 0.000 0.260 518 G C 0.134 175.137 174.900 0.171 0.000 0.977 518 G CA 0.130 45.274 45.100 0.074 0.000 0.641 518 G HN 0.371 nan 8.290 nan 0.000 0.533 519 K N 0.881 121.383 120.400 0.169 0.000 2.412 519 K HA 0.323 4.643 4.320 0.001 0.000 0.281 519 K C 0.738 177.495 176.600 0.260 0.000 1.027 519 K CA -0.311 56.087 56.287 0.185 0.000 0.989 519 K CB 0.298 32.870 32.500 0.120 0.000 0.935 519 K HN 0.368 nan 8.250 nan 0.000 0.475 520 Q N 4.602 124.563 119.800 0.269 0.000 2.289 520 Q HA 0.024 4.365 4.340 0.001 0.000 0.273 520 Q C -0.194 175.851 176.000 0.074 0.000 1.029 520 Q CA -0.531 55.340 55.803 0.113 0.000 0.896 520 Q CB 0.545 29.342 28.738 0.098 0.000 1.182 520 Q HN 0.479 nan 8.270 nan 0.000 0.385 521 I N 3.462 124.061 120.570 0.048 0.000 2.618 521 I HA -0.023 4.147 4.170 0.001 0.000 0.284 521 I C 0.814 177.011 176.117 0.133 0.000 1.146 521 I CA 0.628 61.989 61.300 0.102 0.000 1.425 521 I CB 0.437 38.519 38.000 0.137 0.000 1.383 521 I HN 0.623 nan 8.210 nan 0.000 0.562 522 T N 6.091 120.682 114.554 0.061 0.000 2.907 522 T HA 0.602 4.953 4.350 0.001 0.000 0.284 522 T C -0.506 174.117 174.700 -0.127 0.000 1.004 522 T CA -0.431 61.692 62.100 0.038 0.000 1.063 522 T CB 0.966 69.855 68.868 0.035 0.000 0.992 522 T HN 0.294 nan 8.240 nan 0.000 0.483 523 V N 4.193 123.983 119.914 -0.207 0.000 2.588 523 V HA 0.647 4.768 4.120 0.001 0.000 0.304 523 V C -0.285 175.747 176.094 -0.103 0.000 1.042 523 V CA -0.668 61.455 62.300 -0.294 0.000 0.877 523 V CB 2.183 33.601 31.823 -0.675 0.000 0.996 523 V HN 1.111 nan 8.190 nan 0.000 0.425 524 T N 2.496 117.012 114.554 -0.064 0.000 2.952 524 T HA 0.409 4.759 4.350 0.001 0.000 0.305 524 T C -0.809 173.886 174.700 -0.008 0.000 1.064 524 T CA -0.518 61.577 62.100 -0.008 0.000 1.008 524 T CB 1.420 70.277 68.868 -0.018 0.000 1.078 524 T HN 0.747 nan 8.240 nan 0.000 0.459 525 D N 1.316 121.756 120.400 0.067 0.000 2.737 525 D HA -0.176 4.465 4.640 0.001 0.000 0.238 525 D C -0.752 175.548 176.300 -0.001 0.000 1.157 525 D CA 0.713 54.734 54.000 0.035 0.000 0.694 525 D CB -0.812 39.936 40.800 -0.086 0.000 1.021 525 D HN 0.581 nan 8.370 nan 0.000 0.420 526 F N 1.773 121.672 119.950 -0.085 0.000 2.334 526 F HA 0.225 4.752 4.527 0.001 0.000 0.365 526 F C 0.647 176.334 175.800 -0.188 0.000 1.124 526 F CA -0.555 57.314 58.000 -0.219 0.000 1.166 526 F CB 0.408 39.239 39.000 -0.282 0.000 1.355 526 F HN -0.065 nan 8.300 nan 0.000 0.532 527 S N 6.077 121.754 115.700 -0.039 0.000 2.565 527 S HA 0.714 5.184 4.470 0.001 0.000 0.290 527 S C -0.672 173.880 174.600 -0.080 0.000 1.150 527 S CA -0.751 57.437 58.200 -0.020 0.000 1.058 527 S CB 1.979 65.142 63.200 -0.061 0.000 1.032 527 S HN 0.550 nan 8.310 nan 0.000 0.510 528 I N 1.445 121.976 120.570 -0.065 0.000 2.439 528 I HA 0.458 4.628 4.170 0.001 0.000 0.285 528 I C -0.290 175.883 176.117 0.094 0.000 1.021 528 I CA -0.225 61.068 61.300 -0.012 0.000 1.091 528 I CB 1.742 39.714 38.000 -0.048 0.000 1.242 528 I HN 0.789 nan 8.210 nan 0.000 0.439 529 E N 4.335 124.594 120.200 0.098 0.000 2.293 529 E HA 0.516 4.866 4.350 0.001 0.000 0.270 529 E C 0.345 177.046 176.600 0.169 0.000 0.879 529 E CA -0.527 55.950 56.400 0.128 0.000 0.756 529 E CB 2.072 31.809 29.700 0.062 0.000 1.208 529 E HN 0.799 nan 8.360 nan 0.000 0.428 530 G N 4.183 113.096 108.800 0.187 0.000 2.273 530 G HA2 -0.299 3.661 3.960 0.001 0.000 0.280 530 G HA3 -0.299 3.661 3.960 0.001 0.000 0.280 530 G C -0.342 174.735 174.900 0.296 0.000 1.047 530 G CA 0.511 45.727 45.100 0.194 0.000 0.869 530 G HN 0.481 nan 8.290 nan 0.000 0.502 531 F N 2.581 122.621 119.950 0.150 0.000 2.390 531 F HA 0.563 5.091 4.527 0.001 0.000 0.361 531 F C 0.775 176.660 175.800 0.142 0.000 1.124 531 F CA -0.269 57.834 58.000 0.172 0.000 1.149 531 F CB 0.932 40.074 39.000 0.237 0.000 1.160 531 F HN 0.247 nan 8.300 nan 0.000 0.501 532 T N 2.976 117.736 114.554 0.343 0.000 2.863 532 T HA 0.617 4.967 4.350 0.001 0.000 0.285 532 T C -0.960 173.743 174.700 0.006 0.000 1.009 532 T CA -0.827 61.294 62.100 0.035 0.000 0.989 532 T CB 1.910 70.824 68.868 0.075 0.000 1.004 532 T HN 0.283 nan 8.240 nan 0.000 0.455 533 V N 3.360 123.203 119.914 -0.120 0.000 2.325 533 V HA 0.672 4.793 4.120 0.001 0.000 0.280 533 V C 1.163 177.235 176.094 -0.037 0.000 1.016 533 V CA 0.545 62.799 62.300 -0.076 0.000 0.818 533 V CB 0.126 31.923 31.823 -0.043 0.000 1.019 533 V HN 1.550 nan 8.190 nan 0.000 0.434 534 G N 5.950 114.731 108.800 -0.032 0.000 2.536 534 G HA2 -0.318 3.642 3.960 0.001 0.000 0.280 534 G HA3 -0.318 3.642 3.960 0.001 0.000 0.280 534 G C 0.339 175.234 174.900 -0.009 0.000 1.152 534 G CA 0.647 45.737 45.100 -0.016 0.000 0.970 534 G HN 1.164 nan 8.290 nan 0.000 0.549 535 N N 0.277 118.974 118.700 -0.005 0.000 2.273 535 N HA 0.404 5.144 4.740 0.001 0.000 0.231 535 N C -0.002 175.503 175.510 -0.008 0.000 1.134 535 N CA 0.788 53.836 53.050 -0.003 0.000 0.856 535 N CB 0.829 39.316 38.487 -0.000 0.000 1.068 535 N HN 0.553 nan 8.380 nan 0.000 0.510 536 T N 0.082 114.623 114.554 -0.021 0.000 2.788 536 T HA 0.202 4.553 4.350 0.001 0.000 0.296 536 T C -0.451 174.212 174.700 -0.062 0.000 1.009 536 T CA -0.575 61.503 62.100 -0.036 0.000 0.949 536 T CB 1.194 70.037 68.868 -0.041 0.000 0.946 536 T HN 0.191 nan 8.240 nan 0.000 0.453 537 T N 4.669 119.201 114.554 -0.037 0.000 2.752 537 T HA 0.373 4.723 4.350 0.001 0.000 0.295 537 T C 0.348 175.013 174.700 -0.059 0.000 0.923 537 T CA -0.565 61.518 62.100 -0.028 0.000 1.112 537 T CB -0.606 68.269 68.868 0.011 0.000 0.884 537 T HN 0.288 nan 8.240 nan 0.000 0.525 538 I N 5.639 126.137 120.570 -0.119 0.000 2.638 538 I HA 0.411 4.581 4.170 0.001 0.000 0.286 538 I C 1.191 177.307 176.117 -0.002 0.000 1.088 538 I CA 0.408 61.626 61.300 -0.137 0.000 1.397 538 I CB 1.448 39.233 38.000 -0.359 0.000 1.414 538 I HN 0.855 nan 8.210 nan 0.000 0.566 539 T N 0.944 115.456 114.554 -0.070 0.000 2.754 539 T HA 0.632 4.982 4.350 0.001 0.000 0.296 539 T C 0.715 175.200 174.700 -0.359 0.000 1.205 539 T CA -0.287 61.774 62.100 -0.064 0.000 1.009 539 T CB 0.972 69.829 68.868 -0.019 0.000 1.368 539 T HN 0.481 nan 8.240 nan 0.000 0.509 540 A N 1.163 123.777 122.820 -0.343 0.000 1.917 540 A HA -0.051 4.269 4.320 0.001 0.000 0.219 540 A C 2.240 179.638 177.584 -0.311 0.000 1.182 540 A CA 2.497 54.240 52.037 -0.489 0.000 0.633 540 A CB -1.476 17.476 19.000 -0.079 0.000 0.819 540 A HN 1.514 nan 8.150 nan 0.000 0.448 541 S N -1.349 114.250 115.700 -0.168 0.000 2.701 541 S HA 0.068 4.538 4.470 0.001 0.000 0.220 541 S C 1.086 175.616 174.600 -0.116 0.000 0.954 541 S CA 0.604 58.738 58.200 -0.109 0.000 0.936 541 S CB -0.162 63.003 63.200 -0.059 0.000 0.777 541 S HN 0.591 nan 8.310 nan 0.000 0.518 542 N N 0.492 119.089 118.700 -0.172 0.000 2.266 542 N HA 0.292 5.032 4.740 0.001 0.000 0.217 542 N C 1.608 177.024 175.510 -0.156 0.000 1.211 542 N CA 0.794 53.760 53.050 -0.140 0.000 0.881 542 N CB 0.204 38.615 38.487 -0.127 0.000 1.153 542 N HN 0.305 nan 8.380 nan 0.000 0.489 543 A N 1.452 124.116 122.820 -0.259 0.000 1.883 543 A HA -0.241 4.079 4.320 0.001 0.000 0.222 543 A C 2.256 179.828 177.584 -0.021 0.000 1.339 543 A CA 3.004 54.934 52.037 -0.177 0.000 0.692 543 A CB -1.337 17.460 19.000 -0.339 0.000 0.845 543 A HN 0.378 nan 8.150 nan 0.000 0.467 544 A N -0.942 121.856 122.820 -0.037 0.000 1.970 544 A HA 0.101 4.421 4.320 0.001 0.000 0.216 544 A C 2.410 179.966 177.584 -0.047 0.000 1.170 544 A CA 1.928 53.952 52.037 -0.022 0.000 0.645 544 A CB -0.948 18.043 19.000 -0.016 0.000 0.816 544 A HN 1.047 nan 8.150 nan 0.000 0.447 545 S N 0.120 115.789 115.700 -0.053 0.000 2.404 545 S HA -0.166 4.305 4.470 0.001 0.000 0.216 545 S C 1.717 176.285 174.600 -0.054 0.000 1.039 545 S CA 1.853 60.023 58.200 -0.051 0.000 1.062 545 S CB -1.155 62.016 63.200 -0.049 0.000 1.046 545 S HN 0.289 nan 8.310 nan 0.000 0.415 546 V N 2.206 122.092 119.914 -0.046 0.000 2.374 546 V HA 0.176 4.297 4.120 0.001 0.000 0.241 546 V C 2.966 179.076 176.094 0.026 0.000 1.034 546 V CA 1.372 63.664 62.300 -0.013 0.000 1.037 546 V CB -1.787 30.024 31.823 -0.020 0.000 0.682 546 V HN 0.669 nan 8.190 nan 0.000 0.463 547 G N -0.303 108.495 108.800 -0.003 0.000 2.516 547 G HA2 -0.271 3.689 3.960 0.001 0.000 0.221 547 G HA3 -0.271 3.689 3.960 0.001 0.000 0.221 547 G C 1.001 176.002 174.900 0.167 0.000 1.107 547 G CA 0.782 45.966 45.100 0.140 0.000 0.747 547 G HN 0.554 nan 8.290 nan 0.000 0.567 548 R N -1.473 118.984 120.500 -0.071 0.000 3.641 548 R HA -0.157 4.183 4.340 0.001 0.000 0.286 548 R C -0.356 175.896 176.300 -0.081 0.000 1.153 548 R CA 0.637 56.618 56.100 -0.199 0.000 0.775 548 R CB -2.309 27.635 30.300 -0.592 0.000 1.215 548 R HN 0.450 nan 8.270 nan 0.000 0.474 549 I N 1.193 121.784 120.570 0.035 0.000 2.256 549 I HA 0.056 4.227 4.170 0.001 0.000 0.294 549 I C 0.660 176.807 176.117 0.050 0.000 1.127 549 I CA -0.019 61.310 61.300 0.048 0.000 1.247 549 I CB 0.731 38.888 38.000 0.261 0.000 1.460 549 I HN 0.039 nan 8.210 nan 0.000 0.511 550 D N 3.795 124.203 120.400 0.014 0.000 2.463 550 D HA 0.035 4.676 4.640 0.001 0.000 0.237 550 D C 2.085 178.432 176.300 0.078 0.000 1.013 550 D CA 0.449 54.472 54.000 0.039 0.000 0.910 550 D CB 0.236 41.045 40.800 0.015 0.000 1.080 550 D HN 0.548 nan 8.370 nan 0.000 0.498 551 G N 0.879 109.750 108.800 0.118 0.000 2.956 551 G HA2 0.043 4.003 3.960 0.001 0.000 0.207 551 G HA3 0.043 4.003 3.960 0.001 0.000 0.207 551 G C 0.613 175.646 174.900 0.221 0.000 1.162 551 G CA -0.066 45.151 45.100 0.195 0.000 0.796 551 G HN 0.076 nan 8.290 nan 0.000 0.527 552 V N 1.745 121.782 119.914 0.206 0.000 2.458 552 V HA -0.006 4.115 4.120 0.001 0.000 0.287 552 V C 0.617 176.797 176.094 0.145 0.000 1.009 552 V CA -0.700 61.734 62.300 0.224 0.000 1.091 552 V CB 0.807 32.753 31.823 0.205 0.000 0.960 552 V HN 0.319 nan 8.190 nan 0.000 0.476 553 D N 8.464 128.944 120.400 0.134 0.000 2.455 553 D HA 0.027 4.668 4.640 0.001 0.000 0.241 553 D C -1.136 175.138 176.300 -0.044 0.000 1.138 553 D CA -1.189 52.805 54.000 -0.011 0.000 0.877 553 D CB 1.801 42.492 40.800 -0.181 0.000 1.187 553 D HN 0.307 nan 8.370 nan 0.000 0.451 554 P HA -0.172 nan 4.420 nan 0.000 0.218 554 P C 0.889 178.150 177.300 -0.065 0.000 1.146 554 P CA 0.969 64.049 63.100 -0.034 0.000 0.813 554 P CB 0.108 31.791 31.700 -0.029 0.000 0.778 555 A N -1.499 121.213 122.820 -0.180 0.000 2.067 555 A HA -0.108 4.212 4.320 0.001 0.000 0.219 555 A C 1.831 179.340 177.584 -0.124 0.000 1.158 555 A CA 0.880 52.781 52.037 -0.226 0.000 0.661 555 A CB -1.327 17.423 19.000 -0.417 0.000 0.801 555 A HN 0.272 nan 8.150 nan 0.000 0.452 556 Y N -2.025 118.270 120.300 -0.008 0.000 2.462 556 Y HA 0.263 4.814 4.550 0.001 0.000 0.253 556 Y C 2.603 178.469 175.900 -0.057 0.000 1.095 556 Y CA -0.093 57.988 58.100 -0.031 0.000 1.283 556 Y CB 0.121 38.557 38.460 -0.040 0.000 1.138 556 Y HN 0.298 nan 8.280 nan 0.000 0.522 557 A N 0.965 123.842 122.820 0.095 0.000 1.954 557 A HA -0.287 4.033 4.320 0.001 0.000 0.222 557 A C 2.392 179.963 177.584 -0.023 0.000 1.199 557 A CA 2.271 54.333 52.037 0.041 0.000 0.657 557 A CB -1.452 17.573 19.000 0.041 0.000 0.823 557 A HN 0.503 nan 8.150 nan 0.000 0.463 558 G N -1.908 106.888 108.800 -0.006 0.000 2.559 558 G HA2 0.057 4.017 3.960 0.001 0.000 0.216 558 G HA3 0.057 4.017 3.960 0.001 0.000 0.216 558 G C 1.474 176.293 174.900 -0.134 0.000 1.126 558 G CA 1.127 46.205 45.100 -0.037 0.000 0.778 558 G HN 0.518 nan 8.290 nan 0.000 0.543 559 S N -0.710 114.926 115.700 -0.107 0.000 2.524 559 S HA 0.118 4.588 4.470 0.001 0.000 0.216 559 S C 0.848 175.287 174.600 -0.267 0.000 0.987 559 S CA 0.113 58.267 58.200 -0.076 0.000 0.909 559 S CB 0.500 63.717 63.200 0.029 0.000 0.781 559 S HN 0.363 nan 8.310 nan 0.000 0.521 560 V N 1.665 121.345 119.914 -0.390 0.000 2.348 560 V HA 0.563 4.684 4.120 0.001 0.000 0.270 560 V C -1.023 174.771 176.094 -0.500 0.000 1.037 560 V CA -0.724 61.355 62.300 -0.369 0.000 0.872 560 V CB -0.124 31.490 31.823 -0.349 0.000 1.002 560 V HN 0.227 nan 8.190 nan 0.000 0.464 561 H N 4.241 123.247 119.070 -0.105 0.000 2.481 561 H HA 0.570 5.127 4.556 0.001 0.000 0.333 561 H C -1.310 173.945 175.328 -0.121 0.000 1.066 561 H CA -0.493 55.529 56.048 -0.043 0.000 1.209 561 H CB 1.294 31.056 29.762 0.001 0.000 1.445 561 H HN 0.714 nan 8.280 nan 0.000 0.488 562 Y N 3.775 124.176 120.300 0.169 0.000 2.751 562 Y HA 0.164 4.715 4.550 0.001 0.000 0.333 562 Y C 0.630 176.607 175.900 0.127 0.000 1.122 562 Y CA -0.824 57.366 58.100 0.151 0.000 1.367 562 Y CB -0.238 38.303 38.460 0.134 0.000 1.242 562 Y HN 0.527 nan 8.280 nan 0.000 0.505 563 I N -1.276 119.410 120.570 0.194 0.000 2.532 563 I HA 0.514 4.684 4.170 0.001 0.000 0.292 563 I C -0.042 176.151 176.117 0.127 0.000 1.014 563 I CA -0.658 60.722 61.300 0.133 0.000 1.340 563 I CB 1.375 39.416 38.000 0.068 0.000 1.422 563 I HN 0.243 nan 8.210 nan 0.000 0.528 564 D N 0.000 120.460 120.400 0.100 0.000 6.856 564 D HA 0.000 4.640 4.640 0.001 0.000 0.175 564 D CA 0.000 54.053 54.000 0.088 0.000 0.868 564 D CB 0.000 40.845 40.800 0.075 0.000 0.688 564 D HN 0.000 nan 8.370 nan 0.000 0.683