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 2z8g_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 0.000 176.146 176.300 -0.257 0.000 0.893 16 R CA 0.000 56.008 56.100 -0.153 0.000 0.921 16 R CB 0.000 30.244 30.300 -0.094 0.000 0.687 17 E N 1.075 121.156 120.200 -0.198 0.000 2.413 17 E HA 0.090 4.523 4.350 0.139 0.000 0.263 17 E C -0.584 175.900 176.600 -0.193 0.000 1.015 17 E CA 0.038 56.298 56.400 -0.233 0.000 0.916 17 E CB 0.408 30.051 29.700 -0.095 0.000 0.947 17 E HN 0.202 nan 8.360 nan 0.000 0.440 18 F N 1.983 121.913 119.950 -0.033 0.000 2.602 18 F HA 0.029 4.639 4.527 0.139 0.000 0.367 18 F C 0.885 176.647 175.800 -0.064 0.000 1.126 18 F CA 0.466 58.434 58.000 -0.054 0.000 1.321 18 F CB 0.311 39.276 39.000 -0.058 0.000 1.094 18 F HN 0.162 nan 8.300 nan 0.000 0.594 19 M N 2.364 122.029 119.600 0.109 0.000 2.550 19 M HA 0.514 5.077 4.480 0.139 0.000 0.292 19 M C -0.581 175.619 176.300 -0.168 0.000 1.221 19 M CA -0.957 54.328 55.300 -0.025 0.000 0.873 19 M CB 2.294 34.882 32.600 -0.021 0.000 1.727 19 M HN 0.600 nan 8.290 nan 0.000 0.459 20 A N 1.780 124.355 122.820 -0.408 0.000 2.462 20 A HA 0.556 4.959 4.320 0.139 0.000 0.243 20 A C -0.500 176.854 177.584 -0.383 0.000 1.076 20 A CA -0.321 51.293 52.037 -0.706 0.000 0.773 20 A CB 0.166 18.069 19.000 -1.827 0.000 1.010 20 A HN 0.600 nan 8.150 nan 0.000 0.493 21 V N 2.991 122.749 119.914 -0.260 0.000 2.407 21 V HA 0.499 4.703 4.120 0.139 0.000 0.291 21 V C 0.471 176.624 176.094 0.098 0.000 1.018 21 V CA -0.074 62.194 62.300 -0.053 0.000 0.842 21 V CB 1.383 33.184 31.823 -0.037 0.000 0.996 21 V HN 1.121 nan 8.190 nan 0.000 0.426 22 T N 2.139 116.784 114.554 0.152 0.000 2.945 22 T HA 0.866 5.299 4.350 0.139 0.000 0.286 22 T C -0.058 174.684 174.700 0.070 0.000 1.025 22 T CA -0.496 61.712 62.100 0.180 0.000 1.039 22 T CB 2.033 70.996 68.868 0.157 0.000 1.068 22 T HN 0.925 nan 8.240 nan 0.000 0.497 23 A N 1.716 124.400 122.820 -0.226 0.000 2.306 23 A HA 0.710 5.113 4.320 0.139 0.000 0.314 23 A C 0.175 177.638 177.584 -0.203 0.000 1.164 23 A CA -0.805 50.836 52.037 -0.660 0.000 0.822 23 A CB 0.378 18.764 19.000 -1.023 0.000 1.130 23 A HN 0.826 nan 8.150 nan 0.000 0.496 24 N N 1.224 119.829 118.700 -0.157 0.000 2.732 24 N HA 0.160 4.983 4.740 0.139 0.000 0.235 24 N C -1.347 174.170 175.510 0.012 0.000 1.466 24 N CA -0.298 52.745 53.050 -0.013 0.000 0.751 24 N CB 0.371 38.877 38.487 0.030 0.000 1.317 24 N HN 0.897 nan 8.380 nan 0.000 0.525 25 N N -1.895 116.835 118.700 0.049 0.000 3.038 25 N HA 0.313 5.136 4.740 0.139 0.000 0.307 25 N C 0.825 176.485 175.510 0.249 0.000 1.441 25 N CA -0.498 52.608 53.050 0.092 0.000 0.772 25 N CB 0.154 38.648 38.487 0.013 0.000 1.651 25 N HN -0.089 nan 8.380 nan 0.000 0.593 26 S N -1.770 114.027 115.700 0.162 0.000 2.507 26 S HA -0.104 4.450 4.470 0.139 0.000 0.235 26 S C 0.847 175.383 174.600 -0.107 0.000 0.988 26 S CA 0.770 59.034 58.200 0.107 0.000 0.944 26 S CB -0.535 62.656 63.200 -0.015 0.000 0.762 26 S HN 0.633 nan 8.310 nan 0.000 0.526 27 Q N -0.549 119.277 119.800 0.043 0.000 2.353 27 Q HA 0.493 4.916 4.340 0.139 0.000 0.240 27 Q C -0.604 175.554 176.000 0.263 0.000 0.868 27 Q CA 0.014 55.812 55.803 -0.009 0.000 0.944 27 Q CB 0.683 29.383 28.738 -0.064 0.000 1.104 27 Q HN 0.488 nan 8.270 nan 0.000 0.531 28 L N 0.453 121.897 121.223 0.368 0.000 2.505 28 L HA 0.528 4.951 4.340 0.139 0.000 0.259 28 L C -2.275 174.729 176.870 0.223 0.000 0.952 28 L CA -0.894 54.153 54.840 0.345 0.000 0.840 28 L CB 2.280 44.403 42.059 0.106 0.000 1.358 28 L HN -0.050 nan 8.230 nan 0.000 0.409 29 L N 3.809 125.164 121.223 0.219 0.000 2.441 29 L HA 0.873 5.296 4.340 0.139 0.000 0.270 29 L C -0.731 176.286 176.870 0.244 0.000 0.973 29 L CA 0.409 55.349 54.840 0.166 0.000 0.842 29 L CB 1.972 44.076 42.059 0.076 0.000 1.239 29 L HN 0.866 nan 8.230 nan 0.000 0.406 30 T N 0.315 114.966 114.554 0.161 0.000 2.907 30 T HA 0.881 5.314 4.350 0.139 0.000 0.290 30 T C -0.909 173.955 174.700 0.273 0.000 1.066 30 T CA -0.587 61.501 62.100 -0.019 0.000 1.012 30 T CB 1.556 70.380 68.868 -0.073 0.000 1.184 30 T HN 0.738 nan 8.240 nan 0.000 0.522 31 W N -1.099 120.320 121.300 0.197 0.000 3.018 31 W HA 0.840 5.583 4.660 0.137 0.000 0.352 31 W C -1.797 174.876 176.519 0.256 0.000 1.230 31 W CA -1.340 56.100 57.345 0.159 0.000 1.162 31 W CB 0.943 30.446 29.460 0.072 0.000 1.483 31 W HN 0.860 nan 8.180 nan 0.000 0.584 32 W N 0.540 121.888 121.300 0.080 0.000 3.038 32 W HA 0.470 5.214 4.660 0.140 0.000 0.347 32 W C -1.358 174.908 176.519 -0.421 0.000 1.219 32 W CA -0.822 56.500 57.345 -0.038 0.000 1.142 32 W CB 2.193 31.704 29.460 0.085 0.000 1.484 32 W HN 0.386 nan 8.180 nan 0.000 0.586 33 H N 2.769 121.564 119.070 -0.458 0.000 2.840 33 H HA 0.157 4.797 4.556 0.139 0.000 0.340 33 H C 0.472 175.702 175.328 -0.164 0.000 1.004 33 H CA -0.460 55.338 56.048 -0.416 0.000 1.288 33 H CB 1.653 30.859 29.762 -0.926 0.000 1.607 33 H HN 0.348 nan 8.280 nan 0.000 0.522 34 N N 0.990 119.786 118.700 0.161 0.000 2.512 34 N HA -0.071 4.752 4.740 0.139 0.000 0.183 34 N C 1.033 176.609 175.510 0.110 0.000 1.073 34 N CA 0.741 53.912 53.050 0.201 0.000 0.911 34 N CB 0.345 38.938 38.487 0.177 0.000 0.964 34 N HN 0.564 nan 8.380 nan 0.000 0.447 35 T N -2.421 112.157 114.554 0.040 0.000 3.258 35 T HA 0.338 4.771 4.350 0.139 0.000 0.263 35 T C 0.818 175.495 174.700 -0.037 0.000 0.983 35 T CA -0.789 61.309 62.100 -0.004 0.000 0.907 35 T CB 0.011 68.858 68.868 -0.035 0.000 1.096 35 T HN 0.003 nan 8.240 nan 0.000 0.556 36 G N 0.811 109.619 108.800 0.012 0.000 2.432 36 G HA2 0.395 4.438 3.960 0.139 0.000 0.239 36 G HA3 0.395 4.438 3.960 0.139 0.000 0.239 36 G C -0.716 174.187 174.900 0.006 0.000 1.291 36 G CA -0.458 44.681 45.100 0.066 0.000 0.863 36 G HN 0.561 nan 8.290 nan 0.000 0.560 37 E N 1.542 121.727 120.200 -0.024 0.000 2.218 37 E HA 0.271 4.704 4.350 0.139 0.000 0.263 37 E C -0.489 176.074 176.600 -0.061 0.000 0.879 37 E CA -0.906 55.469 56.400 -0.042 0.000 0.762 37 E CB 1.119 30.791 29.700 -0.048 0.000 1.166 37 E HN 0.189 nan 8.360 nan 0.000 0.415 38 I N 4.515 125.048 120.570 -0.063 0.000 2.363 38 I HA 0.255 4.508 4.170 0.139 0.000 0.292 38 I C -0.131 175.951 176.117 -0.060 0.000 1.075 38 I CA -0.043 61.210 61.300 -0.077 0.000 1.333 38 I CB -0.073 37.881 38.000 -0.076 0.000 1.415 38 I HN 0.470 nan 8.210 nan 0.000 0.502 39 N N 4.559 123.224 118.700 -0.059 0.000 2.493 39 N HA 0.185 5.008 4.740 0.139 0.000 0.279 39 N C -0.113 175.372 175.510 -0.042 0.000 1.082 39 N CA -0.246 52.777 53.050 -0.045 0.000 0.963 39 N CB 1.788 40.255 38.487 -0.035 0.000 1.627 39 N HN 0.530 nan 8.380 nan 0.000 0.499 40 T N -0.077 114.450 114.554 -0.044 0.000 3.200 40 T HA 0.161 4.594 4.350 0.139 0.000 0.284 40 T C 0.628 175.303 174.700 -0.042 0.000 1.009 40 T CA -0.012 62.061 62.100 -0.046 0.000 0.907 40 T CB -0.103 68.730 68.868 -0.059 0.000 1.120 40 T HN 0.646 nan 8.240 nan 0.000 0.534 41 Q N 0.189 119.970 119.800 -0.031 0.000 2.104 41 Q HA 0.237 4.661 4.340 0.139 0.000 0.240 41 Q C 0.459 176.451 176.000 -0.012 0.000 0.743 41 Q CA -0.114 55.674 55.803 -0.026 0.000 0.920 41 Q CB 0.570 29.292 28.738 -0.027 0.000 1.198 41 Q HN 0.444 nan 8.270 nan 0.000 0.465 42 T N -1.330 113.219 114.554 -0.009 0.000 2.864 42 T HA 0.651 5.084 4.350 0.139 0.000 0.289 42 T C -3.031 171.671 174.700 0.005 0.000 1.082 42 T CA -2.272 59.828 62.100 0.000 0.000 1.009 42 T CB 1.936 70.801 68.868 -0.005 0.000 1.234 42 T HN -0.236 nan 8.240 nan 0.000 0.526 43 P HA 0.318 nan 4.420 nan 0.000 0.271 43 P C 0.021 177.313 177.300 -0.014 0.000 1.218 43 P CA -0.612 62.493 63.100 0.008 0.000 0.780 43 P CB 0.426 32.131 31.700 0.009 0.000 0.901 44 V N -0.087 119.815 119.914 -0.020 0.000 3.170 44 V HA 0.694 4.897 4.120 0.139 0.000 0.309 44 V C 0.361 176.414 176.094 -0.069 0.000 1.071 44 V CA -1.146 61.129 62.300 -0.042 0.000 1.063 44 V CB 0.115 31.909 31.823 -0.049 0.000 1.123 44 V HN 0.636 nan 8.190 nan 0.000 0.464 45 A N 1.105 123.876 122.820 -0.082 0.000 2.466 45 A HA 0.171 4.574 4.320 0.139 0.000 0.238 45 A C 1.120 178.596 177.584 -0.181 0.000 1.074 45 A CA 0.347 52.316 52.037 -0.114 0.000 0.774 45 A CB -0.342 18.603 19.000 -0.091 0.000 1.015 45 A HN 1.015 nan 8.150 nan 0.000 0.498 46 D N 1.912 122.130 120.400 -0.303 0.000 2.133 46 D HA -0.156 4.568 4.640 0.139 0.000 0.192 46 D C 1.766 177.811 176.300 -0.425 0.000 1.001 46 D CA 2.227 55.859 54.000 -0.615 0.000 0.844 46 D CB -0.298 39.799 40.800 -1.173 0.000 0.944 46 D HN 0.704 nan 8.370 nan 0.000 0.447 47 G N -0.431 108.245 108.800 -0.207 0.000 3.141 47 G HA2 -0.027 4.016 3.960 0.139 0.000 0.218 47 G HA3 -0.027 4.016 3.960 0.139 0.000 0.218 47 G C 0.468 175.327 174.900 -0.067 0.000 1.170 47 G CA -0.245 44.839 45.100 -0.026 0.000 0.769 47 G HN 0.081 nan 8.290 nan 0.000 0.546 48 N N -0.444 118.192 118.700 -0.106 0.000 2.477 48 N HA 0.589 5.412 4.740 0.139 0.000 0.284 48 N C -0.837 174.548 175.510 -0.210 0.000 1.182 48 N CA -0.454 52.519 53.050 -0.128 0.000 0.949 48 N CB 2.202 40.632 38.487 -0.095 0.000 1.204 48 N HN -0.181 nan 8.380 nan 0.000 0.526 49 V N 0.977 120.722 119.914 -0.281 0.000 2.407 49 V HA 0.361 4.564 4.120 0.139 0.000 0.291 49 V C 0.376 176.356 176.094 -0.190 0.000 1.018 49 V CA -0.873 61.149 62.300 -0.464 0.000 0.842 49 V CB 1.408 32.721 31.823 -0.851 0.000 0.996 49 V HN 0.530 nan 8.190 nan 0.000 0.426 50 R N 3.582 124.002 120.500 -0.135 0.000 2.502 50 R HA 0.142 4.565 4.340 0.139 0.000 0.292 50 R C -0.151 176.127 176.300 -0.036 0.000 0.998 50 R CA 0.310 56.382 56.100 -0.046 0.000 1.056 50 R CB 0.438 30.744 30.300 0.010 0.000 0.939 50 R HN 0.816 nan 8.270 nan 0.000 0.411 51 Q N 2.422 122.155 119.800 -0.112 0.000 2.345 51 Q HA 0.192 4.616 4.340 0.139 0.000 0.268 51 Q C -1.086 174.737 176.000 -0.295 0.000 1.054 51 Q CA -0.579 55.027 55.803 -0.327 0.000 0.835 51 Q CB 2.068 30.526 28.738 -0.467 0.000 1.339 51 Q HN 0.627 nan 8.270 nan 0.000 0.447 52 S N 1.295 116.780 115.700 -0.359 0.000 2.533 52 S HA 0.265 4.818 4.470 0.139 0.000 0.282 52 S C 0.752 175.210 174.600 -0.236 0.000 1.304 52 S CA 0.420 58.483 58.200 -0.228 0.000 1.063 52 S CB 0.439 63.547 63.200 -0.153 0.000 0.881 52 S HN 0.782 nan 8.310 nan 0.000 0.493 53 G N 3.474 112.153 108.800 -0.200 0.000 3.126 53 G HA2 0.171 4.214 3.960 0.139 0.000 0.224 53 G HA3 0.171 4.214 3.960 0.139 0.000 0.224 53 G C 0.796 175.554 174.900 -0.237 0.000 1.142 53 G CA 0.024 45.010 45.100 -0.190 0.000 0.759 53 G HN 0.642 nan 8.290 nan 0.000 0.550 54 L N -1.031 119.992 121.223 -0.333 0.000 2.362 54 L HA 0.529 4.952 4.340 0.139 0.000 0.204 54 L C -0.349 176.149 176.870 -0.621 0.000 1.060 54 L CA 0.182 54.691 54.840 -0.552 0.000 0.827 54 L CB 0.159 41.724 42.059 -0.823 0.000 1.027 54 L HN 0.077 nan 8.230 nan 0.000 0.474 55 Y N -0.349 119.851 120.300 -0.166 0.000 2.352 55 Y HA 0.606 5.239 4.550 0.137 0.000 0.339 55 Y C 0.205 176.011 175.900 -0.157 0.000 0.992 55 Y CA -0.917 57.092 58.100 -0.152 0.000 1.100 55 Y CB 1.583 39.975 38.460 -0.112 0.000 1.192 55 Y HN -0.067 nan 8.280 nan 0.000 0.458 56 S N 2.596 118.318 115.700 0.036 0.000 2.473 56 S HA 0.823 5.376 4.470 0.139 0.000 0.307 56 S C -1.458 173.134 174.600 -0.013 0.000 1.094 56 S CA -0.490 57.699 58.200 -0.019 0.000 1.070 56 S CB 0.629 63.799 63.200 -0.050 0.000 1.019 56 S HN 0.428 nan 8.310 nan 0.000 0.480 57 V N 5.561 125.463 119.914 -0.020 0.000 2.588 57 V HA 0.594 4.797 4.120 0.139 0.000 0.304 57 V C -0.452 175.632 176.094 -0.016 0.000 1.042 57 V CA -0.722 61.562 62.300 -0.027 0.000 0.877 57 V CB 1.954 33.755 31.823 -0.036 0.000 0.996 57 V HN 0.892 nan 8.190 nan 0.000 0.425 58 K N 2.885 123.276 120.400 -0.015 0.000 2.385 58 K HA 0.888 5.291 4.320 0.139 0.000 0.248 58 K C -1.681 174.987 176.600 0.113 0.000 0.955 58 K CA -0.827 55.490 56.287 0.050 0.000 0.816 58 K CB 2.889 35.429 32.500 0.066 0.000 1.250 58 K HN 0.399 nan 8.250 nan 0.000 0.434 59 V N 1.369 121.320 119.914 0.062 0.000 2.789 59 V HA 0.386 4.590 4.120 0.139 0.000 0.311 59 V C -0.988 175.006 176.094 -0.168 0.000 1.073 59 V CA -0.865 61.367 62.300 -0.114 0.000 0.921 59 V CB 1.854 33.365 31.823 -0.519 0.000 1.009 59 V HN 0.736 nan 8.190 nan 0.000 0.426 60 Q N 1.539 121.121 119.800 -0.363 0.000 2.285 60 Q HA 0.431 4.854 4.340 0.139 0.000 0.269 60 Q C -0.911 174.955 176.000 -0.225 0.000 1.030 60 Q CA -0.477 55.041 55.803 -0.476 0.000 0.788 60 Q CB 2.245 30.217 28.738 -1.276 0.000 1.266 60 Q HN 0.818 nan 8.270 nan 0.000 0.438 61 T N 3.119 117.609 114.554 -0.106 0.000 2.928 61 T HA 0.090 4.524 4.350 0.139 0.000 0.305 61 T C 0.453 175.115 174.700 -0.063 0.000 1.035 61 T CA 0.272 62.348 62.100 -0.040 0.000 1.145 61 T CB 0.475 69.281 68.868 -0.102 0.000 0.963 61 T HN 0.720 nan 8.240 nan 0.000 0.545 62 T N 2.413 117.002 114.554 0.058 0.000 2.802 62 T HA 0.306 4.739 4.350 0.139 0.000 0.305 62 T C -2.192 172.520 174.700 0.020 0.000 1.053 62 T CA -1.474 60.666 62.100 0.067 0.000 1.058 62 T CB 0.065 69.028 68.868 0.158 0.000 0.988 62 T HN 0.356 nan 8.240 nan 0.000 0.539 63 P HA 0.346 nan 4.420 nan 0.000 0.274 63 P C -0.537 176.757 177.300 -0.010 0.000 1.231 63 P CA -0.573 62.541 63.100 0.023 0.000 0.790 63 P CB 0.426 32.137 31.700 0.019 0.000 0.951 64 A N 2.552 125.371 122.820 -0.001 0.000 2.524 64 A HA 0.442 4.845 4.320 0.139 0.000 0.250 64 A C 0.755 178.337 177.584 -0.004 0.000 1.078 64 A CA 0.436 52.473 52.037 -0.000 0.000 0.761 64 A CB -0.800 18.206 19.000 0.011 0.000 1.012 64 A HN 0.711 nan 8.150 nan 0.000 0.500 65 S N 0.407 116.110 115.700 0.006 0.000 2.776 65 S HA 0.529 5.082 4.470 0.139 0.000 0.292 65 S C 0.699 175.323 174.600 0.040 0.000 1.187 65 S CA 0.124 58.328 58.200 0.007 0.000 0.834 65 S CB 0.718 63.911 63.200 -0.011 0.000 1.199 65 S HN 1.533 nan 8.310 nan 0.000 0.514 66 S N 0.066 115.779 115.700 0.022 0.000 2.603 66 S HA 0.144 4.697 4.470 0.139 0.000 0.229 66 S C 0.920 175.537 174.600 0.028 0.000 0.972 66 S CA 0.421 58.640 58.200 0.031 0.000 0.935 66 S CB -0.691 62.515 63.200 0.010 0.000 0.769 66 S HN 0.861 nan 8.310 nan 0.000 0.536 67 S N 0.842 116.547 115.700 0.007 0.000 2.580 67 S HA 0.254 4.807 4.470 0.139 0.000 0.261 67 S C 0.091 174.669 174.600 -0.037 0.000 1.366 67 S CA -0.655 57.528 58.200 -0.029 0.000 0.996 67 S CB -0.038 63.129 63.200 -0.054 0.000 0.902 67 S HN 0.512 nan 8.310 nan 0.000 0.566 68 L N 2.774 123.923 121.223 -0.123 0.000 2.426 68 L HA 0.381 4.804 4.340 0.139 0.000 0.271 68 L C -1.113 175.551 176.870 -0.342 0.000 1.169 68 L CA 0.292 54.995 54.840 -0.228 0.000 0.836 68 L CB 0.067 41.893 42.059 -0.390 0.000 1.112 68 L HN 0.640 nan 8.230 nan 0.000 0.465 69 Y N 3.640 123.723 120.300 -0.362 0.000 2.361 69 Y HA 0.430 5.063 4.550 0.138 0.000 0.332 69 Y C -0.787 174.865 175.900 -0.413 0.000 1.101 69 Y CA 0.071 58.010 58.100 -0.269 0.000 1.137 69 Y CB 1.217 39.599 38.460 -0.131 0.000 1.207 69 Y HN 0.450 nan 8.280 nan 0.000 0.463 70 Y N 2.118 122.419 120.300 0.002 0.000 2.330 70 Y HA 0.212 4.845 4.550 0.138 0.000 0.336 70 Y C 0.231 176.095 175.900 -0.060 0.000 1.036 70 Y CA -1.098 56.975 58.100 -0.045 0.000 1.125 70 Y CB 0.726 39.148 38.460 -0.064 0.000 1.194 70 Y HN 0.521 nan 8.280 nan 0.000 0.469 71 D N 1.556 121.973 120.400 0.028 0.000 2.443 71 D HA 0.019 4.743 4.640 0.139 0.000 0.239 71 D C -0.413 175.943 176.300 0.092 0.000 1.136 71 D CA 0.496 54.474 54.000 -0.036 0.000 0.879 71 D CB 1.428 42.006 40.800 -0.369 0.000 1.195 71 D HN 0.364 nan 8.370 nan 0.000 0.443 72 S N 2.302 118.081 115.700 0.132 0.000 2.659 72 S HA 0.251 4.805 4.470 0.139 0.000 0.312 72 S C -0.638 174.018 174.600 0.093 0.000 1.114 72 S CA -0.785 57.435 58.200 0.033 0.000 1.063 72 S CB 0.258 63.407 63.200 -0.086 0.000 0.996 72 S HN 0.306 nan 8.310 nan 0.000 0.478 73 F N 5.269 125.134 119.950 -0.142 0.000 2.608 73 F HA 0.274 4.883 4.527 0.138 0.000 0.380 73 F C -0.085 175.329 175.800 -0.643 0.000 1.083 73 F CA 0.484 58.164 58.000 -0.534 0.000 1.266 73 F CB 0.572 39.125 39.000 -0.745 0.000 1.076 73 F HN 0.306 nan 8.300 nan 0.000 0.574 74 V N 8.027 127.324 119.914 -1.027 0.000 2.311 74 V HA 0.161 4.365 4.120 0.139 0.000 0.275 74 V C -0.424 175.122 176.094 -0.914 0.000 1.022 74 V CA -0.726 61.130 62.300 -0.741 0.000 0.830 74 V CB 0.017 31.576 31.823 -0.438 0.000 1.012 74 V HN 0.550 nan 8.190 nan 0.000 0.452 75 Y N 4.699 124.597 120.300 -0.669 0.000 2.299 75 Y HA 0.580 5.213 4.550 0.139 0.000 0.335 75 Y C 0.099 175.613 175.900 -0.644 0.000 1.287 75 Y CA -0.575 57.075 58.100 -0.750 0.000 1.424 75 Y CB 0.811 38.323 38.460 -1.580 0.000 1.326 75 Y HN 0.509 nan 8.280 nan 0.000 0.567 76 L N 1.380 122.504 121.223 -0.166 0.000 2.464 76 L HA 0.841 5.264 4.340 0.139 0.000 0.266 76 L C -1.246 175.776 176.870 0.254 0.000 0.965 76 L CA -0.712 54.160 54.840 0.053 0.000 0.833 76 L CB 1.637 43.691 42.059 -0.008 0.000 1.296 76 L HN 0.651 nan 8.230 nan 0.000 0.405 77 A N 5.810 128.875 122.820 0.409 0.000 2.350 77 A HA 0.893 5.296 4.320 0.139 0.000 0.324 77 A C -0.846 176.948 177.584 0.350 0.000 1.118 77 A CA -0.541 51.752 52.037 0.428 0.000 0.783 77 A CB 1.010 20.314 19.000 0.507 0.000 1.236 77 A HN 0.910 nan 8.150 nan 0.000 0.457 78 I N -0.530 120.165 120.570 0.207 0.000 2.785 78 I HA 0.683 4.936 4.170 0.139 0.000 0.302 78 I C -2.771 173.221 176.117 -0.207 0.000 1.069 78 I CA -3.005 58.251 61.300 -0.073 0.000 1.045 78 I CB 2.619 40.573 38.000 -0.076 0.000 1.236 78 I HN 0.308 nan 8.210 nan 0.000 0.429 79 P HA 0.112 nan 4.420 nan 0.000 0.268 79 P C 0.796 177.975 177.300 -0.202 0.000 1.204 79 P CA 1.055 63.864 63.100 -0.486 0.000 0.768 79 P CB 0.926 32.262 31.700 -0.606 0.000 0.842 80 G N 3.729 112.414 108.800 -0.192 0.000 2.234 80 G HA2 -0.349 3.694 3.960 0.139 0.000 0.260 80 G HA3 -0.349 3.694 3.960 0.139 0.000 0.260 80 G C 0.553 175.517 174.900 0.106 0.000 0.987 80 G CA 0.339 45.465 45.100 0.043 0.000 0.625 80 G HN 0.647 nan 8.290 nan 0.000 0.532 81 N N -1.508 117.218 118.700 0.042 0.000 2.714 81 N HA -0.106 4.717 4.740 0.139 0.000 0.250 81 N C 1.556 177.115 175.510 0.082 0.000 1.117 81 N CA 1.576 54.684 53.050 0.096 0.000 0.719 81 N CB -1.111 37.472 38.487 0.160 0.000 1.081 81 N HN 2.207 nan 8.380 nan 0.000 0.557 82 G N -1.261 107.569 108.800 0.051 0.000 2.175 82 G HA2 -0.330 3.713 3.960 0.139 0.000 0.244 82 G HA3 -0.330 3.713 3.960 0.139 0.000 0.244 82 G C 0.056 174.988 174.900 0.054 0.000 0.982 82 G CA 0.330 45.453 45.100 0.038 0.000 0.641 82 G HN 0.337 nan 8.290 nan 0.000 0.527 83 M N 2.617 122.273 119.600 0.093 0.000 2.365 83 M HA 0.349 4.912 4.480 0.139 0.000 0.350 83 M C 1.776 178.135 176.300 0.099 0.000 1.274 83 M CA 0.256 55.622 55.300 0.109 0.000 1.252 83 M CB 1.191 33.892 32.600 0.169 0.000 1.297 83 M HN 0.360 nan 8.290 nan 0.000 0.438 84 S N 0.647 116.379 115.700 0.054 0.000 2.402 84 S HA -0.214 4.339 4.470 0.139 0.000 0.233 84 S C 1.261 175.877 174.600 0.025 0.000 1.030 84 S CA 1.853 60.070 58.200 0.028 0.000 1.003 84 S CB -0.455 62.750 63.200 0.009 0.000 0.813 84 S HN 0.788 nan 8.310 nan 0.000 0.477 85 D N 0.435 120.863 120.400 0.047 0.000 2.363 85 D HA -0.044 4.679 4.640 0.139 0.000 0.226 85 D C 1.564 177.885 176.300 0.035 0.000 1.020 85 D CA 0.408 54.426 54.000 0.031 0.000 0.892 85 D CB -0.353 40.482 40.800 0.058 0.000 0.900 85 D HN 0.382 nan 8.370 nan 0.000 0.531 86 Q N -0.226 119.645 119.800 0.120 0.000 2.319 86 Q HA 0.240 4.663 4.340 0.139 0.000 0.209 86 Q C 2.191 178.289 176.000 0.163 0.000 0.884 86 Q CA -0.088 55.868 55.803 0.256 0.000 0.938 86 Q CB 0.490 29.523 28.738 0.492 0.000 1.098 86 Q HN 0.386 nan 8.270 nan 0.000 0.517 87 L N 1.348 122.591 121.223 0.035 0.000 2.187 87 L HA -0.240 4.183 4.340 0.139 0.000 0.213 87 L C 2.483 179.282 176.870 -0.118 0.000 1.100 87 L CA 1.480 56.312 54.840 -0.014 0.000 0.765 87 L CB -0.466 41.565 42.059 -0.046 0.000 0.904 87 L HN 0.324 nan 8.230 nan 0.000 0.437 88 Q N -0.561 119.061 119.800 -0.297 0.000 2.364 88 Q HA -0.207 4.216 4.340 0.139 0.000 0.209 88 Q C 1.214 176.948 176.000 -0.443 0.000 0.977 88 Q CA 1.590 57.150 55.803 -0.406 0.000 0.885 88 Q CB -0.440 27.965 28.738 -0.554 0.000 0.941 88 Q HN 0.576 nan 8.270 nan 0.000 0.464 89 Y N 1.911 122.128 120.300 -0.138 0.000 2.461 89 Y HA 0.150 4.726 4.550 0.043 0.000 0.277 89 Y C 1.091 176.833 175.900 -0.263 0.000 1.182 89 Y CA -0.096 57.736 58.100 -0.447 0.000 1.276 89 Y CB 0.544 38.525 38.460 -0.798 0.000 1.087 89 Y HN 0.205 nan 8.280 nan 0.000 0.519 90 T N -3.653 110.917 114.554 0.026 0.000 2.870 90 T HA 0.162 4.596 4.350 0.139 0.000 0.277 90 T C 0.850 175.529 174.700 -0.035 0.000 1.000 90 T CA -0.783 61.349 62.100 0.054 0.000 0.982 90 T CB 1.350 70.250 68.868 0.053 0.000 1.249 90 T HN -0.113 nan 8.240 nan 0.000 0.589 91 Q N -0.216 119.564 119.800 -0.033 0.000 2.444 91 Q HA 0.196 4.619 4.340 0.139 0.000 0.206 91 Q C 1.575 177.378 176.000 -0.328 0.000 0.948 91 Q CA 0.995 56.704 55.803 -0.157 0.000 0.946 91 Q CB -0.125 28.536 28.738 -0.127 0.000 1.027 91 Q HN 1.222 nan 8.270 nan 0.000 0.513 92 G N 0.207 108.883 108.800 -0.207 0.000 2.143 92 G HA2 -0.303 3.740 3.960 0.139 0.000 0.249 92 G HA3 -0.303 3.740 3.960 0.139 0.000 0.249 92 G C -0.074 174.723 174.900 -0.172 0.000 0.981 92 G CA 0.128 45.109 45.100 -0.199 0.000 0.665 92 G HN 0.370 nan 8.290 nan 0.000 0.528 93 Y N 0.014 120.309 120.300 -0.008 0.000 2.340 93 Y HA 0.396 5.038 4.550 0.154 0.000 0.327 93 Y C 1.538 177.401 175.900 -0.062 0.000 1.321 93 Y CA -0.242 57.854 58.100 -0.007 0.000 1.433 93 Y CB 0.630 39.114 38.460 0.039 0.000 1.373 93 Y HN 0.206 nan 8.280 nan 0.000 0.538 94 N N -1.108 117.680 118.700 0.146 0.000 2.234 94 N HA 0.075 4.898 4.740 0.139 0.000 0.227 94 N C -0.956 174.532 175.510 -0.038 0.000 1.151 94 N CA -0.241 52.813 53.050 0.007 0.000 0.865 94 N CB 0.037 38.531 38.487 0.012 0.000 1.066 94 N HN 0.547 nan 8.380 nan 0.000 0.515 95 Q N 0.413 120.203 119.800 -0.017 0.000 2.340 95 Q HA 0.294 4.718 4.340 0.139 0.000 0.249 95 Q C 0.010 175.921 176.000 -0.149 0.000 0.957 95 Q CA 0.048 55.842 55.803 -0.015 0.000 0.882 95 Q CB 0.942 29.738 28.738 0.096 0.000 1.235 95 Q HN 0.484 nan 8.270 nan 0.000 0.439 96 T N -0.959 113.576 114.554 -0.031 0.000 2.930 96 T HA 0.497 4.930 4.350 0.139 0.000 0.290 96 T C -0.807 173.997 174.700 0.174 0.000 1.052 96 T CA -0.969 61.137 62.100 0.010 0.000 1.017 96 T CB 1.855 70.720 68.868 -0.006 0.000 1.137 96 T HN 0.556 nan 8.240 nan 0.000 0.511 97 Q N 0.322 120.281 119.800 0.265 0.000 2.294 97 Q HA 0.626 5.049 4.340 0.139 0.000 0.264 97 Q C -1.351 174.797 176.000 0.246 0.000 0.992 97 Q CA -0.812 55.069 55.803 0.131 0.000 0.747 97 Q CB 1.597 30.277 28.738 -0.097 0.000 1.262 97 Q HN 1.079 nan 8.270 nan 0.000 0.452 98 A N 3.414 126.349 122.820 0.192 0.000 2.311 98 A HA 0.897 5.300 4.320 0.139 0.000 0.334 98 A C -1.538 176.162 177.584 0.194 0.000 1.139 98 A CA -0.447 51.700 52.037 0.184 0.000 0.830 98 A CB 0.615 19.695 19.000 0.132 0.000 1.234 98 A HN 0.817 nan 8.150 nan 0.000 0.483 99 W N -0.417 120.830 121.300 -0.089 0.000 3.146 99 W HA 0.679 5.421 4.660 0.138 0.000 0.319 99 W C -1.236 175.230 176.519 -0.087 0.000 1.258 99 W CA -0.224 56.965 57.345 -0.260 0.000 1.189 99 W CB 0.853 30.061 29.460 -0.421 0.000 1.412 99 W HN 0.823 nan 8.180 nan 0.000 0.567 100 T N 1.647 116.139 114.554 -0.103 0.000 2.916 100 T HA 0.701 5.134 4.350 0.139 0.000 0.305 100 T C -1.446 173.322 174.700 0.114 0.000 1.119 100 T CA -0.369 61.713 62.100 -0.029 0.000 1.008 100 T CB 1.543 70.346 68.868 -0.108 0.000 1.129 100 T HN 0.573 nan 8.240 nan 0.000 0.480 101 S N 2.410 118.259 115.700 0.247 0.000 2.542 101 S HA 0.940 5.493 4.470 0.139 0.000 0.293 101 S C -1.448 173.123 174.600 -0.049 0.000 1.089 101 S CA -0.662 57.709 58.200 0.286 0.000 0.961 101 S CB 0.976 64.627 63.200 0.751 0.000 1.062 101 S HN 0.685 nan 8.310 nan 0.000 0.483 102 F N -0.109 119.828 119.950 -0.021 0.000 2.693 102 F HA 0.712 5.322 4.527 0.139 0.000 0.309 102 F C -2.021 173.874 175.800 0.158 0.000 1.129 102 F CA -1.349 56.569 58.000 -0.136 0.000 0.948 102 F CB 0.662 39.547 39.000 -0.191 0.000 1.315 102 F HN 0.339 nan 8.300 nan 0.000 0.447 103 L N 3.170 124.672 121.223 0.465 0.000 2.334 103 L HA 0.637 5.060 4.340 0.139 0.000 0.275 103 L C -1.044 176.315 176.870 0.814 0.000 1.036 103 L CA -1.118 53.966 54.840 0.407 0.000 0.807 103 L CB 1.750 43.813 42.059 0.007 0.000 1.231 103 L HN 0.845 nan 8.230 nan 0.000 0.438 104 Y N 0.031 120.756 120.300 0.709 0.000 2.638 104 Y HA 0.532 5.165 4.550 0.139 0.000 0.335 104 Y C -0.287 175.827 175.900 0.356 0.000 1.155 104 Y CA -1.998 56.509 58.100 0.679 0.000 1.046 104 Y CB 1.344 40.190 38.460 0.645 0.000 1.303 104 Y HN 0.443 nan 8.280 nan 0.000 0.460 105 S N -0.273 115.269 115.700 -0.263 0.000 2.960 105 S HA 0.384 4.937 4.470 0.139 0.000 0.256 105 S C -0.814 173.197 174.600 -0.983 0.000 1.017 105 S CA 0.184 57.729 58.200 -1.091 0.000 1.144 105 S CB -0.666 61.934 63.200 -0.999 0.000 1.109 105 S HN 1.128 nan 8.310 nan 0.000 0.638 106 H N 0.366 119.120 119.070 -0.525 0.000 3.064 106 H HA 0.464 5.103 4.556 0.138 0.000 0.352 106 H C -1.577 173.823 175.328 0.120 0.000 1.260 106 H CA -0.461 55.468 56.048 -0.198 0.000 1.160 106 H CB 1.125 30.813 29.762 -0.123 0.000 1.879 106 H HN 0.052 nan 8.280 nan 0.000 0.544 107 D N 1.490 121.918 120.400 0.046 0.000 2.548 107 D HA 0.349 5.073 4.640 0.139 0.000 0.231 107 D C -0.438 176.108 176.300 0.411 0.000 1.142 107 D CA 1.296 55.447 54.000 0.252 0.000 0.866 107 D CB 0.682 41.518 40.800 0.060 0.000 1.190 107 D HN 0.656 nan 8.370 nan 0.000 0.469 108 A N 1.453 124.474 122.820 0.336 0.000 2.539 108 A HA 0.618 5.021 4.320 0.139 0.000 0.296 108 A C -0.502 177.143 177.584 0.100 0.000 1.073 108 A CA -0.753 51.404 52.037 0.200 0.000 0.700 108 A CB 1.652 20.766 19.000 0.189 0.000 1.296 108 A HN 0.337 nan 8.150 nan 0.000 0.405 109 T N 1.448 116.031 114.554 0.049 0.000 2.767 109 T HA 0.493 4.926 4.350 0.139 0.000 0.284 109 T C -0.426 174.364 174.700 0.149 0.000 0.973 109 T CA -0.197 61.977 62.100 0.124 0.000 0.996 109 T CB 0.940 69.934 68.868 0.209 0.000 0.927 109 T HN 0.481 nan 8.240 nan 0.000 0.456 110 V N 4.763 124.769 119.914 0.154 0.000 2.350 110 V HA 0.352 4.555 4.120 0.139 0.000 0.276 110 V C 0.395 176.543 176.094 0.089 0.000 1.028 110 V CA -0.708 61.662 62.300 0.117 0.000 0.860 110 V CB 1.042 32.969 31.823 0.174 0.000 0.990 110 V HN 0.702 nan 8.190 nan 0.000 0.453 111 K N 6.246 126.668 120.400 0.037 0.000 2.264 111 K HA 0.561 4.964 4.320 0.139 0.000 0.277 111 K C -0.964 175.509 176.600 -0.212 0.000 1.067 111 K CA -0.447 55.667 56.287 -0.287 0.000 0.900 111 K CB 0.666 32.849 32.500 -0.527 0.000 1.124 111 K HN 0.625 nan 8.250 nan 0.000 0.469 112 I N 3.040 123.499 120.570 -0.185 0.000 2.354 112 I HA 0.198 4.451 4.170 0.139 0.000 0.292 112 I C -0.425 175.685 176.117 -0.013 0.000 0.989 112 I CA -0.567 60.717 61.300 -0.027 0.000 1.188 112 I CB 1.990 40.056 38.000 0.110 0.000 1.342 112 I HN 0.515 nan 8.210 nan 0.000 0.457 113 S N 6.032 121.727 115.700 -0.009 0.000 2.536 113 S HA 0.650 5.203 4.470 0.139 0.000 0.298 113 S C -0.466 174.122 174.600 -0.020 0.000 1.083 113 S CA -0.922 57.259 58.200 -0.031 0.000 0.995 113 S CB 2.166 65.305 63.200 -0.103 0.000 1.058 113 S HN 0.499 nan 8.310 nan 0.000 0.488 114 R N 1.116 121.573 120.500 -0.072 0.000 2.873 114 R HA 0.420 4.844 4.340 0.139 0.000 0.264 114 R C -0.343 175.872 176.300 -0.142 0.000 1.026 114 R CA -1.069 54.930 56.100 -0.168 0.000 1.002 114 R CB 0.733 30.869 30.300 -0.272 0.000 1.174 114 R HN 0.828 nan 8.270 nan 0.000 0.488 115 N N -0.587 118.015 118.700 -0.163 0.000 2.239 115 N HA -0.120 4.703 4.740 0.139 0.000 0.225 115 N C 1.099 176.551 175.510 -0.097 0.000 1.283 115 N CA 0.612 53.587 53.050 -0.125 0.000 0.868 115 N CB 0.184 38.595 38.487 -0.127 0.000 1.098 115 N HN 0.717 nan 8.380 nan 0.000 0.436 116 G N -1.202 107.550 108.800 -0.079 0.000 2.498 116 G HA2 -0.237 3.807 3.960 0.139 0.000 0.219 116 G HA3 -0.237 3.807 3.960 0.139 0.000 0.219 116 G C 1.125 175.993 174.900 -0.053 0.000 1.119 116 G CA 0.889 45.953 45.100 -0.061 0.000 0.766 116 G HN 0.764 nan 8.290 nan 0.000 0.552 117 S N 0.169 115.833 115.700 -0.061 0.000 2.575 117 S HA 0.178 4.731 4.470 0.139 0.000 0.215 117 S C 1.193 175.757 174.600 -0.059 0.000 0.966 117 S CA 0.340 58.507 58.200 -0.054 0.000 0.911 117 S CB -0.071 63.096 63.200 -0.055 0.000 0.780 117 S HN 0.413 nan 8.310 nan 0.000 0.514 118 S N 1.800 117.455 115.700 -0.074 0.000 2.531 118 S HA 0.698 5.251 4.470 0.139 0.000 0.279 118 S C 0.274 174.847 174.600 -0.045 0.000 1.305 118 S CA -0.500 57.651 58.200 -0.080 0.000 1.058 118 S CB 0.858 63.983 63.200 -0.126 0.000 0.899 118 S HN 0.610 nan 8.310 nan 0.000 0.493 119 A N 3.417 126.218 122.820 -0.033 0.000 2.332 119 A HA 0.449 4.853 4.320 0.139 0.000 0.258 119 A C 0.318 177.907 177.584 0.009 0.000 1.087 119 A CA -0.804 51.225 52.037 -0.012 0.000 0.802 119 A CB -0.264 18.729 19.000 -0.012 0.000 1.042 119 A HN 0.885 nan 8.150 nan 0.000 0.489 120 N N 0.588 119.293 118.700 0.009 0.000 2.483 120 N HA 0.366 5.189 4.740 0.139 0.000 0.264 120 N C -0.449 175.062 175.510 0.001 0.000 1.197 120 N CA 0.692 53.749 53.050 0.012 0.000 0.927 120 N CB 0.838 39.312 38.487 -0.022 0.000 1.065 120 N HN 0.562 nan 8.380 nan 0.000 0.461 121 S N 1.446 117.170 115.700 0.040 0.000 2.546 121 S HA 0.374 4.927 4.470 0.139 0.000 0.272 121 S C -0.859 173.715 174.600 -0.043 0.000 1.140 121 S CA -0.961 57.268 58.200 0.049 0.000 0.920 121 S CB 0.512 63.839 63.200 0.211 0.000 1.083 121 S HN 0.598 nan 8.310 nan 0.000 0.476 122 N N 1.242 119.843 118.700 -0.165 0.000 2.415 122 N HA 0.436 5.259 4.740 0.139 0.000 0.248 122 N C -0.299 175.197 175.510 -0.023 0.000 1.271 122 N CA -0.284 52.643 53.050 -0.205 0.000 0.913 122 N CB 0.890 39.296 38.487 -0.134 0.000 1.129 122 N HN 0.513 nan 8.380 nan 0.000 0.444 123 V N -1.597 118.350 119.914 0.054 0.000 2.960 123 V HA 0.715 4.918 4.120 0.139 0.000 0.315 123 V C -0.406 175.663 176.094 -0.042 0.000 1.087 123 V CA -0.777 61.444 62.300 -0.132 0.000 0.982 123 V CB 1.815 33.418 31.823 -0.366 0.000 1.039 123 V HN 0.239 nan 8.190 nan 0.000 0.437 124 V N 3.806 123.683 119.914 -0.062 0.000 2.540 124 V HA 0.552 4.755 4.120 0.139 0.000 0.302 124 V C -0.608 175.460 176.094 -0.043 0.000 1.035 124 V CA -0.329 61.948 62.300 -0.039 0.000 0.873 124 V CB 1.511 33.322 31.823 -0.020 0.000 0.992 124 V HN 0.786 nan 8.190 nan 0.000 0.428 125 I N 5.473 126.002 120.570 -0.068 0.000 2.336 125 I HA 0.536 4.789 4.170 0.139 0.000 0.292 125 I C 0.344 176.409 176.117 -0.087 0.000 0.991 125 I CA -0.093 61.171 61.300 -0.060 0.000 1.227 125 I CB 1.292 39.181 38.000 -0.185 0.000 1.366 125 I HN 0.469 nan 8.210 nan 0.000 0.466 126 R N 7.065 127.562 120.500 -0.005 0.000 2.599 126 R HA 0.492 4.915 4.340 0.139 0.000 0.295 126 R C -2.552 173.783 176.300 0.057 0.000 0.963 126 R CA -1.816 54.258 56.100 -0.044 0.000 0.883 126 R CB 1.685 31.919 30.300 -0.111 0.000 1.171 126 R HN 0.324 nan 8.270 nan 0.000 0.450 127 P HA -0.065 nan 4.420 nan 0.000 0.265 127 P C 0.669 177.870 177.300 -0.164 0.000 1.193 127 P CA 0.184 63.232 63.100 -0.086 0.000 0.765 127 P CB 0.809 32.477 31.700 -0.055 0.000 0.823 128 T N -1.575 112.888 114.554 -0.151 0.000 3.072 128 T HA -0.106 4.328 4.350 0.139 0.000 0.266 128 T C 1.615 176.212 174.700 -0.173 0.000 1.127 128 T CA 1.177 63.180 62.100 -0.162 0.000 1.107 128 T CB -0.910 67.885 68.868 -0.121 0.000 0.910 128 T HN 0.457 nan 8.240 nan 0.000 0.513 129 S N 1.452 117.059 115.700 -0.154 0.000 2.481 129 S HA 0.103 4.657 4.470 0.139 0.000 0.231 129 S C 1.928 176.411 174.600 -0.196 0.000 0.996 129 S CA 0.202 58.323 58.200 -0.131 0.000 0.942 129 S CB -0.862 62.291 63.200 -0.078 0.000 0.768 129 S HN 0.527 nan 8.310 nan 0.000 0.520 130 L N 1.720 122.729 121.223 -0.356 0.000 2.017 130 L HA -0.083 4.341 4.340 0.139 0.000 0.208 130 L C 1.518 178.052 176.870 -0.560 0.000 1.073 130 L CA 1.370 55.810 54.840 -0.665 0.000 0.745 130 L CB -1.157 40.076 42.059 -1.376 0.000 0.894 130 L HN 0.536 nan 8.230 nan 0.000 0.432 131 N N -0.284 118.154 118.700 -0.436 0.000 2.725 131 N HA -0.226 4.597 4.740 0.139 0.000 0.251 131 N C -0.276 175.194 175.510 -0.067 0.000 1.031 131 N CA -0.357 52.567 53.050 -0.208 0.000 0.720 131 N CB -0.795 37.630 38.487 -0.103 0.000 0.930 131 N HN 0.176 nan 8.380 nan 0.000 0.543 132 F N 0.215 120.038 119.950 -0.213 0.000 2.418 132 F HA 0.293 4.904 4.527 0.139 0.000 0.341 132 F C -1.322 174.391 175.800 -0.145 0.000 1.120 132 F CA -2.090 55.783 58.000 -0.212 0.000 1.232 132 F CB 0.458 39.266 39.000 -0.321 0.000 1.175 132 F HN 0.064 nan 8.300 nan 0.000 0.569 133 P HA 0.108 nan 4.420 nan 0.000 0.268 133 P C -1.157 176.140 177.300 -0.006 0.000 1.204 133 P CA 0.057 63.169 63.100 0.020 0.000 0.768 133 P CB 0.895 32.598 31.700 0.006 0.000 0.842 134 V N 4.521 124.401 119.914 -0.057 0.000 2.638 134 V HA 0.574 4.778 4.120 0.139 0.000 0.306 134 V C 0.035 175.979 176.094 -0.249 0.000 1.052 134 V CA -0.617 61.590 62.300 -0.154 0.000 0.885 134 V CB 1.946 33.646 31.823 -0.205 0.000 0.999 134 V HN 0.581 nan 8.190 nan 0.000 0.424 135 R N 3.158 123.491 120.500 -0.277 0.000 2.744 135 R HA 0.725 5.148 4.340 0.139 0.000 0.279 135 R C -2.106 174.020 176.300 -0.290 0.000 0.977 135 R CA -0.803 55.154 56.100 -0.239 0.000 0.906 135 R CB 1.829 32.083 30.300 -0.076 0.000 1.197 135 R HN 0.495 nan 8.270 nan 0.000 0.463 136 Y N 0.466 120.846 120.300 0.134 0.000 2.352 136 Y HA 0.526 5.159 4.550 0.138 0.000 0.339 136 Y C -0.564 175.425 175.900 0.149 0.000 0.992 136 Y CA -0.518 57.673 58.100 0.152 0.000 1.100 136 Y CB 2.197 40.712 38.460 0.092 0.000 1.192 136 Y HN 0.824 nan 8.280 nan 0.000 0.458 137 D N 0.948 121.554 120.400 0.343 0.000 2.745 137 D HA 0.214 4.937 4.640 0.139 0.000 0.221 137 D C -1.446 174.992 176.300 0.231 0.000 1.237 137 D CA -0.677 53.464 54.000 0.235 0.000 0.781 137 D CB 0.752 41.631 40.800 0.132 0.000 1.575 137 D HN 0.510 nan 8.370 nan 0.000 0.482 138 N N 2.689 121.467 118.700 0.130 0.000 2.669 138 N HA -0.209 4.615 4.740 0.139 0.000 0.266 138 N C -0.607 174.942 175.510 0.065 0.000 1.024 138 N CA 1.314 54.414 53.050 0.082 0.000 0.766 138 N CB -0.536 37.991 38.487 0.067 0.000 0.898 138 N HN 0.529 nan 8.380 nan 0.000 0.548 139 Q N -3.055 116.787 119.800 0.070 0.000 2.468 139 Q HA -0.229 4.194 4.340 0.139 0.000 0.256 139 Q C -0.635 175.395 176.000 0.050 0.000 0.984 139 Q CA 1.744 57.578 55.803 0.051 0.000 1.110 139 Q CB -1.584 27.158 28.738 0.006 0.000 1.527 139 Q HN 0.635 nan 8.270 nan 0.000 0.535 140 S N -1.686 114.058 115.700 0.073 0.000 2.661 140 S HA 0.841 5.394 4.470 0.139 0.000 0.285 140 S C -0.661 173.958 174.600 0.031 0.000 1.138 140 S CA -0.646 57.536 58.200 -0.029 0.000 0.855 140 S CB 2.507 65.534 63.200 -0.289 0.000 1.136 140 S HN 0.009 nan 8.310 nan 0.000 0.484 141 V N 2.060 121.918 119.914 -0.094 0.000 2.487 141 V HA 0.453 4.656 4.120 0.139 0.000 0.298 141 V C -1.735 174.196 176.094 -0.270 0.000 1.028 141 V CA -0.573 61.685 62.300 -0.069 0.000 0.860 141 V CB 0.869 32.713 31.823 0.034 0.000 0.991 141 V HN 0.844 nan 8.190 nan 0.000 0.427 142 Y N 4.835 125.070 120.300 -0.109 0.000 2.334 142 Y HA 0.636 5.269 4.550 0.139 0.000 0.336 142 Y C 0.151 176.012 175.900 -0.064 0.000 0.960 142 Y CA -0.541 57.529 58.100 -0.051 0.000 1.164 142 Y CB 1.468 39.907 38.460 -0.034 0.000 1.155 142 Y HN 0.465 nan 8.280 nan 0.000 0.478 143 I N 3.410 124.049 120.570 0.114 0.000 2.362 143 I HA 0.261 4.514 4.170 0.139 0.000 0.289 143 I C -0.327 175.832 176.117 0.070 0.000 0.994 143 I CA -0.613 60.734 61.300 0.080 0.000 1.158 143 I CB 1.658 39.734 38.000 0.127 0.000 1.315 143 I HN 0.535 nan 8.210 nan 0.000 0.451 144 T N 6.001 120.558 114.554 0.006 0.000 2.782 144 T HA 0.247 4.681 4.350 0.139 0.000 0.298 144 T C 0.096 174.629 174.700 -0.277 0.000 0.944 144 T CA -0.349 61.721 62.100 -0.051 0.000 1.001 144 T CB 0.376 69.225 68.868 -0.031 0.000 0.932 144 T HN 0.192 nan 8.240 nan 0.000 0.524 145 V N 7.776 127.537 119.914 -0.255 0.000 2.385 145 V HA 0.267 4.470 4.120 0.139 0.000 0.269 145 V C -2.052 173.924 176.094 -0.197 0.000 1.043 145 V CA -2.123 59.855 62.300 -0.536 0.000 0.906 145 V CB 0.622 32.376 31.823 -0.115 0.000 0.995 145 V HN 0.617 nan 8.190 nan 0.000 0.467 146 P HA 0.152 nan 4.420 nan 0.000 0.274 146 P C -0.892 176.603 177.300 0.325 0.000 1.231 146 P CA -0.368 62.733 63.100 0.001 0.000 0.790 146 P CB 0.398 32.063 31.700 -0.060 0.000 0.951 147 Y N 1.939 122.303 120.300 0.108 0.000 2.359 147 Y HA 0.397 5.031 4.550 0.139 0.000 0.330 147 Y C 0.107 176.002 175.900 -0.009 0.000 1.143 147 Y CA 0.392 58.404 58.100 -0.145 0.000 1.318 147 Y CB 0.539 38.763 38.460 -0.393 0.000 1.234 147 Y HN 0.279 nan 8.280 nan 0.000 0.522 148 S N 7.525 122.663 115.700 -0.936 0.000 2.571 148 S HA 0.409 4.962 4.470 0.139 0.000 0.284 148 S C -2.049 171.910 174.600 -1.069 0.000 1.128 148 S CA -1.634 56.107 58.200 -0.766 0.000 0.970 148 S CB 1.648 64.567 63.200 -0.469 0.000 1.039 148 S HN 0.604 nan 8.310 nan 0.000 0.485 149 P HA -0.067 nan 4.420 nan 0.000 0.223 149 P C 0.954 178.143 177.300 -0.184 0.000 1.144 149 P CA 1.254 64.139 63.100 -0.359 0.000 0.783 149 P CB -0.327 31.294 31.700 -0.133 0.000 0.771 150 T N -5.314 109.098 114.554 -0.236 0.000 3.054 150 T HA 0.462 4.895 4.350 0.139 0.000 0.255 150 T C 1.033 175.641 174.700 -0.153 0.000 1.035 150 T CA 0.199 62.211 62.100 -0.147 0.000 0.941 150 T CB -0.348 68.430 68.868 -0.151 0.000 1.026 150 T HN 0.321 nan 8.240 nan 0.000 0.533 151 G N 0.988 109.666 108.800 -0.203 0.000 2.749 151 G HA2 -0.106 3.937 3.960 0.139 0.000 0.242 151 G HA3 -0.106 3.937 3.960 0.139 0.000 0.242 151 G C -0.947 173.764 174.900 -0.315 0.000 1.364 151 G CA -0.377 44.696 45.100 -0.044 0.000 0.888 151 G HN 0.569 nan 8.290 nan 0.000 0.566 152 Y N -0.910 119.545 120.300 0.260 0.000 2.562 152 Y HA 0.744 5.377 4.550 0.138 0.000 0.345 152 Y C 0.538 176.644 175.900 0.344 0.000 1.045 152 Y CA -0.930 57.373 58.100 0.339 0.000 1.028 152 Y CB 2.463 41.247 38.460 0.539 0.000 1.297 152 Y HN 0.629 nan 8.280 nan 0.000 0.463 153 R N 2.785 123.613 120.500 0.548 0.000 2.473 153 R HA 0.581 5.004 4.340 0.139 0.000 0.303 153 R C -1.746 174.866 176.300 0.520 0.000 1.002 153 R CA -0.492 55.888 56.100 0.468 0.000 0.884 153 R CB 1.169 31.646 30.300 0.296 0.000 1.173 153 R HN 0.556 nan 8.270 nan 0.000 0.464 154 F N -1.304 118.799 119.950 0.254 0.000 2.664 154 F HA 0.719 5.329 4.527 0.139 0.000 0.317 154 F C -0.622 175.232 175.800 0.089 0.000 1.108 154 F CA -1.266 56.833 58.000 0.166 0.000 0.957 154 F CB 1.868 40.929 39.000 0.103 0.000 1.365 154 F HN 0.220 nan 8.300 nan 0.000 0.475 155 S N 0.963 116.858 115.700 0.326 0.000 2.454 155 S HA 0.723 5.276 4.470 0.139 0.000 0.306 155 S C -1.366 173.373 174.600 0.232 0.000 1.100 155 S CA -0.508 57.828 58.200 0.227 0.000 1.087 155 S CB 1.229 64.630 63.200 0.336 0.000 1.019 155 S HN 0.630 nan 8.310 nan 0.000 0.480 156 V N 5.988 125.977 119.914 0.124 0.000 2.328 156 V HA 0.419 4.622 4.120 0.139 0.000 0.278 156 V C -0.348 175.758 176.094 0.020 0.000 1.021 156 V CA -0.524 61.807 62.300 0.051 0.000 0.838 156 V CB 1.131 32.949 31.823 -0.010 0.000 0.999 156 V HN 0.872 nan 8.190 nan 0.000 0.447 157 E N 4.928 125.128 120.200 -0.000 0.000 2.129 157 E HA 0.432 4.865 4.350 0.139 0.000 0.268 157 E C -1.294 175.314 176.600 0.014 0.000 0.900 157 E CA -0.575 55.881 56.400 0.093 0.000 0.755 157 E CB 1.686 31.465 29.700 0.132 0.000 1.117 157 E HN 0.464 nan 8.360 nan 0.000 0.410 158 F N 2.335 122.357 119.950 0.119 0.000 2.438 158 F HA 0.045 4.655 4.527 0.138 0.000 0.356 158 F C 1.496 177.348 175.800 0.087 0.000 1.099 158 F CA -0.190 57.879 58.000 0.114 0.000 1.185 158 F CB 0.599 39.685 39.000 0.143 0.000 1.115 158 F HN 0.421 nan 8.300 nan 0.000 0.526 159 D N 1.383 121.892 120.400 0.182 0.000 2.133 159 D HA -0.215 4.508 4.640 0.139 0.000 0.195 159 D C 1.714 178.089 176.300 0.125 0.000 0.997 159 D CA 1.782 55.852 54.000 0.118 0.000 0.840 159 D CB -0.281 40.557 40.800 0.064 0.000 0.947 159 D HN 0.619 nan 8.370 nan 0.000 0.452 160 D N -0.404 120.084 120.400 0.147 0.000 2.363 160 D HA -0.102 4.622 4.640 0.139 0.000 0.226 160 D C 0.830 177.189 176.300 0.097 0.000 1.020 160 D CA 0.367 54.426 54.000 0.099 0.000 0.892 160 D CB -0.160 40.684 40.800 0.073 0.000 0.900 160 D HN 0.136 nan 8.370 nan 0.000 0.531 161 D N -0.634 119.856 120.400 0.151 0.000 2.398 161 D HA 0.109 4.833 4.640 0.139 0.000 0.210 161 D C 0.268 176.641 176.300 0.122 0.000 1.094 161 D CA -0.258 53.822 54.000 0.133 0.000 0.839 161 D CB 0.208 41.130 40.800 0.204 0.000 0.963 161 D HN 0.106 nan 8.370 nan 0.000 0.506 162 L N 1.837 123.128 121.223 0.113 0.000 2.426 162 L HA 0.291 4.714 4.340 0.139 0.000 0.271 162 L C 0.472 177.376 176.870 0.056 0.000 1.169 162 L CA -0.186 54.706 54.840 0.086 0.000 0.836 162 L CB 0.779 42.885 42.059 0.078 0.000 1.112 162 L HN 0.119 nan 8.230 nan 0.000 0.465 163 I N -1.488 119.105 120.570 0.039 0.000 3.042 163 I HA 0.532 4.785 4.170 0.139 0.000 0.310 163 I C -0.529 175.591 176.117 0.004 0.000 1.117 163 I CA -0.727 60.585 61.300 0.021 0.000 1.003 163 I CB 2.283 40.291 38.000 0.013 0.000 1.228 163 I HN 0.294 nan 8.210 nan 0.000 0.443 164 S N 3.699 119.402 115.700 0.005 0.000 2.457 164 S HA 0.581 5.134 4.470 0.139 0.000 0.289 164 S C -0.315 174.273 174.600 -0.021 0.000 1.163 164 S CA -0.626 57.575 58.200 0.002 0.000 1.078 164 S CB 0.886 64.100 63.200 0.024 0.000 0.987 164 S HN 0.367 nan 8.310 nan 0.000 0.482 165 L N 3.281 124.464 121.223 -0.066 0.000 2.255 165 L HA 0.501 4.924 4.340 0.139 0.000 0.289 165 L C 0.585 177.484 176.870 0.048 0.000 1.046 165 L CA -0.648 54.106 54.840 -0.143 0.000 0.816 165 L CB 0.658 42.459 42.059 -0.430 0.000 1.197 165 L HN 0.654 nan 8.230 nan 0.000 0.427 166 A N 6.111 129.031 122.820 0.168 0.000 2.371 166 A HA 0.502 4.905 4.320 0.139 0.000 0.257 166 A C -1.436 176.303 177.584 0.259 0.000 1.089 166 A CA -0.951 51.196 52.037 0.183 0.000 0.794 166 A CB 0.120 19.213 19.000 0.154 0.000 1.029 166 A HN 0.661 nan 8.150 nan 0.000 0.488 167 P HA 0.016 nan 4.420 nan 0.000 0.261 167 P C 0.986 178.361 177.300 0.124 0.000 1.268 167 P CA 0.820 64.000 63.100 0.133 0.000 0.833 167 P CB 0.324 32.093 31.700 0.113 0.000 1.231 168 S N -0.120 115.666 115.700 0.143 0.000 2.402 168 S HA 0.089 4.642 4.470 0.139 0.000 0.229 168 S C 1.852 176.511 174.600 0.099 0.000 1.021 168 S CA 1.230 59.508 58.200 0.131 0.000 0.974 168 S CB -1.540 61.750 63.200 0.151 0.000 0.800 168 S HN 0.283 nan 8.310 nan 0.000 0.484 169 G N 1.065 109.914 108.800 0.082 0.000 2.159 169 G HA2 -0.078 3.965 3.960 0.139 0.000 0.256 169 G HA3 -0.078 3.965 3.960 0.139 0.000 0.256 169 G C 0.248 175.177 174.900 0.048 0.000 0.977 169 G CA 0.092 45.228 45.100 0.061 0.000 0.652 169 G HN 1.394 nan 8.290 nan 0.000 0.531 170 A N 0.397 123.244 122.820 0.045 0.000 2.546 170 A HA 0.517 4.920 4.320 0.139 0.000 0.243 170 A C 0.851 178.443 177.584 0.015 0.000 1.063 170 A CA 0.346 52.405 52.037 0.038 0.000 0.757 170 A CB 0.224 19.247 19.000 0.037 0.000 0.991 170 A HN 0.363 nan 8.150 nan 0.000 0.503 171 R N 2.531 123.050 120.500 0.033 0.000 2.196 171 R HA 0.347 4.770 4.340 0.139 0.000 0.340 171 R C -0.414 175.902 176.300 0.026 0.000 1.043 171 R CA 0.169 56.287 56.100 0.030 0.000 0.883 171 R CB 0.667 30.992 30.300 0.042 0.000 1.078 171 R HN 0.888 nan 8.270 nan 0.000 0.462 172 Q N 2.510 122.301 119.800 -0.015 0.000 2.456 172 Q HA 0.435 4.858 4.340 0.139 0.000 0.284 172 Q C -2.631 173.394 176.000 0.041 0.000 1.061 172 Q CA -2.268 53.486 55.803 -0.081 0.000 0.799 172 Q CB 2.888 31.511 28.738 -0.192 0.000 1.445 172 Q HN 0.218 nan 8.270 nan 0.000 0.411 173 P HA -0.079 nan 4.420 nan 0.000 0.268 173 P C -0.073 177.327 177.300 0.166 0.000 1.204 173 P CA 0.412 63.632 63.100 0.200 0.000 0.768 173 P CB 0.646 32.533 31.700 0.311 0.000 0.842 174 E N 2.887 123.162 120.200 0.126 0.000 2.158 174 E HA -0.075 4.359 4.350 0.139 0.000 0.191 174 E C -0.125 176.530 176.600 0.093 0.000 0.982 174 E CA 0.693 57.141 56.400 0.080 0.000 0.823 174 E CB 0.118 29.847 29.700 0.048 0.000 0.766 174 E HN 0.390 nan 8.360 nan 0.000 0.468 175 N N 1.022 119.811 118.700 0.147 0.000 2.682 175 N HA 0.247 5.070 4.740 0.139 0.000 0.252 175 N C -1.189 174.499 175.510 0.296 0.000 1.081 175 N CA -0.116 53.047 53.050 0.188 0.000 0.844 175 N CB 1.671 40.244 38.487 0.144 0.000 1.167 175 N HN 0.079 nan 8.380 nan 0.000 0.523 176 A N 1.676 124.611 122.820 0.192 0.000 2.425 176 A HA 0.425 4.828 4.320 0.139 0.000 0.242 176 A C -0.103 177.522 177.584 0.070 0.000 1.077 176 A CA -0.049 52.088 52.037 0.166 0.000 0.781 176 A CB 0.348 19.343 19.000 -0.007 0.000 1.020 176 A HN 0.569 nan 8.150 nan 0.000 0.494 177 L N 2.430 123.626 121.223 -0.045 0.000 2.446 177 L HA 0.579 5.002 4.340 0.139 0.000 0.268 177 L C -1.197 175.555 176.870 -0.197 0.000 0.975 177 L CA -0.025 54.668 54.840 -0.244 0.000 0.848 177 L CB 1.161 42.824 42.059 -0.660 0.000 1.225 177 L HN 0.602 nan 8.230 nan 0.000 0.410 178 L N 5.535 126.592 121.223 -0.277 0.000 2.325 178 L HA 0.623 5.046 4.340 0.139 0.000 0.278 178 L C -0.679 175.746 176.870 -0.743 0.000 1.023 178 L CA -0.812 53.714 54.840 -0.523 0.000 0.811 178 L CB 1.847 43.450 42.059 -0.762 0.000 1.249 178 L HN 0.405 nan 8.230 nan 0.000 0.431 179 I N 2.915 122.942 120.570 -0.905 0.000 2.389 179 I HA 0.338 4.591 4.170 0.139 0.000 0.288 179 I C -0.599 175.145 176.117 -0.623 0.000 0.999 179 I CA -0.239 60.556 61.300 -0.841 0.000 1.129 179 I CB 1.178 38.513 38.000 -1.109 0.000 1.288 179 I HN 0.456 nan 8.210 nan 0.000 0.444 180 F N 4.992 124.773 119.950 -0.281 0.000 2.307 180 F HA 0.570 5.179 4.527 0.137 0.000 0.369 180 F C 0.631 176.200 175.800 -0.385 0.000 1.076 180 F CA -0.967 56.910 58.000 -0.205 0.000 1.149 180 F CB 1.452 40.425 39.000 -0.044 0.000 1.410 180 F HN 0.536 nan 8.300 nan 0.000 0.481 181 A N 2.719 125.369 122.820 -0.283 0.000 2.269 181 A HA 0.689 5.093 4.320 0.139 0.000 0.302 181 A C -0.242 177.264 177.584 -0.130 0.000 1.266 181 A CA -0.269 51.288 52.037 -0.800 0.000 0.894 181 A CB 0.530 19.023 19.000 -0.845 0.000 1.147 181 A HN 0.569 nan 8.150 nan 0.000 0.537 182 S N 3.535 119.234 115.700 -0.002 0.000 2.600 182 S HA 0.758 5.312 4.470 0.139 0.000 0.300 182 S C -2.760 172.105 174.600 0.442 0.000 1.087 182 S CA -1.160 57.188 58.200 0.248 0.000 0.965 182 S CB 1.906 65.211 63.200 0.175 0.000 1.089 182 S HN 0.688 nan 8.310 nan 0.000 0.496 183 P HA 0.255 nan 4.420 nan 0.000 0.274 183 P C -0.637 176.941 177.300 0.462 0.000 1.246 183 P CA -0.477 62.916 63.100 0.489 0.000 0.795 183 P CB 0.376 32.285 31.700 0.348 0.000 1.006 184 F N -0.139 119.924 119.950 0.188 0.000 2.539 184 F HA 0.021 4.631 4.527 0.139 0.000 0.340 184 F C 1.577 177.486 175.800 0.182 0.000 1.185 184 F CA -0.135 57.958 58.000 0.155 0.000 1.333 184 F CB 0.325 39.399 39.000 0.123 0.000 1.152 184 F HN 0.230 nan 8.300 nan 0.000 0.602 185 E N 1.563 121.956 120.200 0.322 0.000 2.229 185 E HA 0.096 4.529 4.350 0.139 0.000 0.283 185 E C -0.567 176.188 176.600 0.258 0.000 1.030 185 E CA -0.756 55.834 56.400 0.317 0.000 0.836 185 E CB 0.659 30.571 29.700 0.354 0.000 1.068 185 E HN 0.446 nan 8.360 nan 0.000 0.401 186 N N 0.553 119.383 118.700 0.218 0.000 2.366 186 N HA -0.032 4.792 4.740 0.139 0.000 0.277 186 N C 0.716 176.313 175.510 0.146 0.000 1.275 186 N CA -0.348 52.798 53.050 0.161 0.000 0.964 186 N CB 0.313 38.871 38.487 0.120 0.000 1.167 186 N HN 0.314 nan 8.380 nan 0.000 0.568 187 S N -2.008 113.757 115.700 0.110 0.000 2.507 187 S HA -0.080 4.473 4.470 0.139 0.000 0.235 187 S C 1.182 175.851 174.600 0.116 0.000 0.988 187 S CA 0.645 58.912 58.200 0.112 0.000 0.944 187 S CB -0.680 62.566 63.200 0.078 0.000 0.762 187 S HN 0.500 nan 8.310 nan 0.000 0.526 188 S N 1.217 116.953 115.700 0.061 0.000 2.501 188 S HA 0.061 4.615 4.470 0.139 0.000 0.220 188 S C 1.853 176.422 174.600 -0.052 0.000 0.997 188 S CA 0.927 59.093 58.200 -0.057 0.000 0.919 188 S CB 0.045 63.199 63.200 -0.078 0.000 0.778 188 S HN 0.932 nan 8.310 nan 0.000 0.523 189 T N -1.362 113.294 114.554 0.171 0.000 3.003 189 T HA 0.331 4.764 4.350 0.139 0.000 0.261 189 T C 0.156 175.196 174.700 0.566 0.000 1.003 189 T CA -0.304 62.001 62.100 0.342 0.000 0.917 189 T CB 0.124 69.155 68.868 0.272 0.000 1.084 189 T HN 0.094 nan 8.240 nan 0.000 0.522 190 K N 2.107 122.730 120.400 0.372 0.000 2.463 190 K HA 0.537 4.940 4.320 0.139 0.000 0.255 190 K C -3.286 173.232 176.600 -0.137 0.000 0.942 190 K CA -2.369 53.878 56.287 -0.066 0.000 0.814 190 K CB 1.934 34.441 32.500 0.012 0.000 1.122 190 K HN -0.085 nan 8.250 nan 0.000 0.425 191 P HA -0.009 nan 4.420 nan 0.000 0.267 191 P C -0.745 176.394 177.300 -0.268 0.000 1.205 191 P CA -0.175 62.602 63.100 -0.539 0.000 0.765 191 P CB 0.695 31.836 31.700 -0.931 0.000 0.828 192 Q N 4.433 124.177 119.800 -0.092 0.000 2.471 192 Q HA 0.189 4.612 4.340 0.139 0.000 0.223 192 Q C -1.838 174.119 176.000 -0.072 0.000 1.045 192 Q CA -1.543 54.230 55.803 -0.050 0.000 0.956 192 Q CB -0.871 27.870 28.738 0.005 0.000 1.249 192 Q HN 0.409 nan 8.270 nan 0.000 0.549 193 P HA -0.034 nan 4.420 nan 0.000 0.264 193 P C 0.163 177.440 177.300 -0.038 0.000 1.193 193 P CA 0.692 63.769 63.100 -0.038 0.000 0.763 193 P CB 0.072 31.764 31.700 -0.015 0.000 0.810 194 G N 2.245 111.016 108.800 -0.048 0.000 2.356 194 G HA2 -0.275 3.768 3.960 0.139 0.000 0.296 194 G HA3 -0.275 3.768 3.960 0.139 0.000 0.296 194 G C 0.440 175.314 174.900 -0.044 0.000 1.022 194 G CA 0.375 45.449 45.100 -0.043 0.000 0.961 194 G HN 0.806 nan 8.290 nan 0.000 0.510 195 S N 0.716 116.375 115.700 -0.067 0.000 2.550 195 S HA 0.329 4.882 4.470 0.139 0.000 0.285 195 S C -0.871 173.708 174.600 -0.035 0.000 1.326 195 S CA 0.008 58.175 58.200 -0.055 0.000 1.037 195 S CB 0.523 63.656 63.200 -0.111 0.000 0.838 195 S HN 0.491 nan 8.310 nan 0.000 0.519 196 P HA 0.129 nan 4.420 nan 0.000 0.271 196 P C -0.320 176.980 177.300 0.001 0.000 1.220 196 P CA -0.045 63.056 63.100 0.002 0.000 0.768 196 P CB 0.033 31.745 31.700 0.020 0.000 0.848 197 N N 0.912 119.607 118.700 -0.007 0.000 2.705 197 N HA -0.172 4.651 4.740 0.139 0.000 0.255 197 N C -0.759 174.737 175.510 -0.024 0.000 1.008 197 N CA 1.068 54.113 53.050 -0.009 0.000 0.742 197 N CB -1.332 37.160 38.487 0.009 0.000 0.906 197 N HN 0.554 nan 8.380 nan 0.000 0.541 198 S N -0.467 115.202 115.700 -0.052 0.000 2.621 198 S HA 0.785 5.338 4.470 0.139 0.000 0.302 198 S C -0.024 174.513 174.600 -0.105 0.000 1.093 198 S CA -1.000 57.144 58.200 -0.094 0.000 1.017 198 S CB 2.628 65.747 63.200 -0.136 0.000 1.077 198 S HN 0.381 nan 8.310 nan 0.000 0.517 199 I N 0.653 121.136 120.570 -0.145 0.000 2.582 199 I HA 0.697 4.950 4.170 0.139 0.000 0.292 199 I C -1.180 174.799 176.117 -0.229 0.000 1.066 199 I CA -1.053 60.155 61.300 -0.153 0.000 1.053 199 I CB 1.863 39.782 38.000 -0.135 0.000 1.241 199 I HN 0.953 nan 8.210 nan 0.000 0.421 200 A N 8.822 131.525 122.820 -0.195 0.000 2.536 200 A HA 0.645 5.048 4.320 0.139 0.000 0.329 200 A C -2.542 174.939 177.584 -0.172 0.000 1.321 200 A CA -1.268 50.633 52.037 -0.227 0.000 0.804 200 A CB -0.059 18.859 19.000 -0.136 0.000 1.126 200 A HN 0.518 nan 8.150 nan 0.000 0.480 201 P HA 0.304 nan 4.420 nan 0.000 0.266 201 P C 0.245 177.625 177.300 0.132 0.000 1.195 201 P CA 0.151 63.197 63.100 -0.091 0.000 0.768 201 P CB 0.937 32.547 31.700 -0.149 0.000 0.838 202 A N 4.797 127.684 122.820 0.113 0.000 2.313 202 A HA 0.479 4.882 4.320 0.139 0.000 0.261 202 A C -2.082 175.593 177.584 0.153 0.000 1.090 202 A CA -1.294 50.817 52.037 0.124 0.000 0.807 202 A CB -1.235 17.782 19.000 0.028 0.000 1.055 202 A HN 0.417 nan 8.150 nan 0.000 0.492 203 P HA 0.443 nan 4.420 nan 0.000 0.269 203 P C 0.719 177.874 177.300 -0.241 0.000 1.215 203 P CA 1.526 64.365 63.100 -0.435 0.000 0.780 203 P CB 0.619 32.097 31.700 -0.370 0.000 0.898 204 G N 0.454 109.072 108.800 -0.304 0.000 2.416 204 G HA2 -0.095 3.948 3.960 0.139 0.000 0.203 204 G HA3 -0.095 3.948 3.960 0.139 0.000 0.203 204 G C -0.826 173.563 174.900 -0.851 0.000 1.227 204 G CA -0.784 44.114 45.100 -0.337 0.000 1.041 204 G HN 0.688 nan 8.290 nan 0.000 0.546 205 R N -0.050 119.878 120.500 -0.953 0.000 2.449 205 R HA 0.498 4.921 4.340 0.139 0.000 0.296 205 R C 0.074 176.044 176.300 -0.550 0.000 1.047 205 R CA 0.157 55.686 56.100 -0.950 0.000 1.018 205 R CB 0.483 30.501 30.300 -0.470 0.000 0.962 205 R HN 0.758 nan 8.270 nan 0.000 0.428 206 V N 7.322 126.829 119.914 -0.677 0.000 2.383 206 V HA 0.386 4.590 4.120 0.139 0.000 0.275 206 V C 0.086 175.929 176.094 -0.420 0.000 1.036 206 V CA -0.496 61.498 62.300 -0.510 0.000 0.889 206 V CB 0.839 32.288 31.823 -0.624 0.000 0.985 206 V HN 0.613 nan 8.190 nan 0.000 0.459 207 L N 3.398 124.507 121.223 -0.191 0.000 2.371 207 L HA 0.826 5.249 4.340 0.139 0.000 0.262 207 L C 1.078 177.927 176.870 -0.036 0.000 1.006 207 L CA -0.263 54.523 54.840 -0.091 0.000 0.818 207 L CB 2.047 44.061 42.059 -0.075 0.000 1.354 207 L HN 0.762 nan 8.230 nan 0.000 0.415 208 G N 0.811 109.610 108.800 -0.001 0.000 2.199 208 G HA2 -0.261 3.782 3.960 0.139 0.000 0.254 208 G HA3 -0.261 3.782 3.960 0.139 0.000 0.254 208 G C 0.677 175.583 174.900 0.010 0.000 0.982 208 G CA 0.406 45.507 45.100 0.001 0.000 0.632 208 G HN 0.498 nan 8.290 nan 0.000 0.529 209 L N 1.372 122.616 121.223 0.035 0.000 2.265 209 L HA -0.047 4.376 4.340 0.139 0.000 0.215 209 L C 2.641 179.524 176.870 0.022 0.000 1.117 209 L CA 1.547 56.407 54.840 0.034 0.000 0.782 209 L CB -0.501 41.612 42.059 0.089 0.000 0.914 209 L HN 0.576 nan 8.230 nan 0.000 0.441 210 N N -0.583 118.128 118.700 0.018 0.000 2.515 210 N HA -0.118 4.705 4.740 0.139 0.000 0.185 210 N C 1.224 176.736 175.510 0.003 0.000 1.109 210 N CA 1.460 54.507 53.050 -0.004 0.000 0.903 210 N CB -0.404 38.071 38.487 -0.019 0.000 0.969 210 N HN 0.388 nan 8.380 nan 0.000 0.450 211 T N -5.368 109.190 114.554 0.006 0.000 3.111 211 T HA 0.120 4.553 4.350 0.139 0.000 0.284 211 T C 0.452 175.155 174.700 0.004 0.000 0.983 211 T CA -0.434 61.669 62.100 0.006 0.000 0.900 211 T CB -0.258 68.614 68.868 0.006 0.000 1.132 211 T HN 0.042 nan 8.240 nan 0.000 0.531 212 T N 2.221 116.777 114.554 0.002 0.000 2.900 212 T HA 0.266 4.700 4.350 0.139 0.000 0.307 212 T C 1.414 176.116 174.700 0.004 0.000 1.065 212 T CA 0.460 62.558 62.100 -0.004 0.000 1.105 212 T CB 0.703 69.562 68.868 -0.015 0.000 0.979 212 T HN 0.445 nan 8.240 nan 0.000 0.544 213 S N 2.221 117.921 115.700 0.000 0.000 2.556 213 S HA 0.443 4.996 4.470 0.139 0.000 0.216 213 S C 0.903 175.508 174.600 0.009 0.000 0.970 213 S CA -0.129 58.075 58.200 0.007 0.000 0.912 213 S CB -0.050 63.153 63.200 0.003 0.000 0.790 213 S HN 0.939 nan 8.310 nan 0.000 0.504 214 A N 1.339 124.159 122.820 -0.000 0.000 2.425 214 A HA 0.575 4.979 4.320 0.139 0.000 0.242 214 A C 1.152 178.751 177.584 0.025 0.000 1.077 214 A CA -0.112 51.924 52.037 -0.003 0.000 0.781 214 A CB 0.232 19.212 19.000 -0.033 0.000 1.020 214 A HN 0.332 nan 8.150 nan 0.000 0.494 215 S N -0.535 115.187 115.700 0.037 0.000 2.497 215 S HA 0.126 4.679 4.470 0.139 0.000 0.221 215 S C 0.420 175.092 174.600 0.119 0.000 1.037 215 S CA 0.761 59.010 58.200 0.083 0.000 0.920 215 S CB 0.283 63.535 63.200 0.087 0.000 0.800 215 S HN 0.804 nan 8.310 nan 0.000 0.505 216 T N 1.952 116.535 114.554 0.048 0.000 2.848 216 T HA 0.548 4.981 4.350 0.139 0.000 0.285 216 T C -0.902 173.717 174.700 -0.135 0.000 0.995 216 T CA -0.394 61.701 62.100 -0.008 0.000 0.970 216 T CB 2.162 70.973 68.868 -0.095 0.000 0.976 216 T HN -0.148 nan 8.240 nan 0.000 0.441 217 V N 3.761 123.570 119.914 -0.175 0.000 2.370 217 V HA 0.483 4.686 4.120 0.139 0.000 0.283 217 V C -0.244 175.578 176.094 -0.455 0.000 1.023 217 V CA -0.698 61.408 62.300 -0.323 0.000 0.857 217 V CB 1.593 33.239 31.823 -0.295 0.000 0.985 217 V HN 0.713 nan 8.190 nan 0.000 0.443 218 V N 5.748 125.358 119.914 -0.506 0.000 2.357 218 V HA 0.468 4.671 4.120 0.139 0.000 0.284 218 V C -0.693 175.081 176.094 -0.533 0.000 1.018 218 V CA -0.412 61.660 62.300 -0.381 0.000 0.841 218 V CB 1.370 33.049 31.823 -0.239 0.000 0.991 218 V HN 0.677 nan 8.190 nan 0.000 0.437 219 F N 4.237 124.008 119.950 -0.299 0.000 2.313 219 F HA 0.455 5.066 4.527 0.140 0.000 0.369 219 F C 0.911 176.608 175.800 -0.172 0.000 1.109 219 F CA -0.522 57.205 58.000 -0.454 0.000 1.132 219 F CB 0.570 39.154 39.000 -0.693 0.000 1.291 219 F HN 0.450 nan 8.300 nan 0.000 0.496 220 N N 3.688 122.473 118.700 0.141 0.000 2.347 220 N HA 0.245 5.068 4.740 0.139 0.000 0.253 220 N C -2.502 173.184 175.510 0.293 0.000 1.274 220 N CA -1.498 51.668 53.050 0.192 0.000 0.941 220 N CB 0.333 38.912 38.487 0.153 0.000 1.200 220 N HN 0.127 nan 8.380 nan 0.000 0.514 221 P HA 0.057 nan 4.420 nan 0.000 0.261 221 P C 0.113 177.555 177.300 0.236 0.000 1.165 221 P CA 0.913 64.120 63.100 0.178 0.000 0.759 221 P CB 0.097 31.855 31.700 0.096 0.000 0.772 222 G N 0.671 109.631 108.800 0.266 0.000 2.369 222 G HA2 0.227 4.270 3.960 0.139 0.000 0.293 222 G HA3 0.227 4.270 3.960 0.139 0.000 0.293 222 G C -1.804 173.108 174.900 0.021 0.000 1.301 222 G CA -0.768 44.380 45.100 0.079 0.000 0.913 222 G HN 0.361 nan 8.290 nan 0.000 0.540 223 V N 0.634 120.397 119.914 -0.251 0.000 2.459 223 V HA 0.751 4.954 4.120 0.139 0.000 0.295 223 V C -0.941 174.933 176.094 -0.365 0.000 1.029 223 V CA -0.571 61.656 62.300 -0.122 0.000 0.874 223 V CB 0.959 32.753 31.823 -0.048 0.000 0.985 223 V HN 0.664 nan 8.190 nan 0.000 0.438 224 Y N 4.318 124.696 120.300 0.131 0.000 2.512 224 Y HA 0.799 5.432 4.550 0.138 0.000 0.348 224 Y C -0.414 175.536 175.900 0.083 0.000 0.990 224 Y CA -1.208 56.900 58.100 0.012 0.000 1.033 224 Y CB 2.018 40.448 38.460 -0.051 0.000 1.259 224 Y HN 0.720 nan 8.280 nan 0.000 0.461 225 Y N -1.301 119.023 120.300 0.039 0.000 2.581 225 Y HA 0.702 5.335 4.550 0.139 0.000 0.337 225 Y C -1.465 174.321 175.900 -0.191 0.000 1.108 225 Y CA -1.981 56.130 58.100 0.017 0.000 1.033 225 Y CB 0.720 39.181 38.460 0.002 0.000 1.318 225 Y HN 0.443 nan 8.280 nan 0.000 0.459 226 F N 1.023 121.026 119.950 0.088 0.000 2.422 226 F HA 0.632 5.243 4.527 0.139 0.000 0.235 226 F C 0.862 176.671 175.800 0.016 0.000 1.125 226 F CA 1.120 59.111 58.000 -0.016 0.000 0.977 226 F CB 0.241 39.237 39.000 -0.006 0.000 1.085 226 F HN 0.835 nan 8.300 nan 0.000 0.635 227 T N -3.895 110.671 114.554 0.020 0.000 2.632 227 T HA 0.295 4.728 4.350 0.139 0.000 0.290 227 T C 0.317 174.791 174.700 -0.377 0.000 1.899 227 T CA -0.299 61.679 62.100 -0.204 0.000 0.946 227 T CB 0.545 69.072 68.868 -0.568 0.000 2.024 227 T HN 0.392 nan 8.240 nan 0.000 0.471 228 G N -0.038 108.574 108.800 -0.314 0.000 2.920 228 G HA2 0.163 4.207 3.960 0.139 0.000 0.208 228 G HA3 0.163 4.207 3.960 0.139 0.000 0.208 228 G C 0.890 175.740 174.900 -0.084 0.000 1.159 228 G CA 0.492 45.423 45.100 -0.282 0.000 0.784 228 G HN 1.128 nan 8.290 nan 0.000 0.535 229 H N -1.499 117.420 119.070 -0.253 0.000 2.492 229 H HA 0.406 5.045 4.556 0.137 0.000 0.264 229 H C -1.211 173.618 175.328 -0.831 0.000 1.150 229 H CA -0.311 55.439 56.048 -0.496 0.000 0.962 229 H CB 0.723 30.435 29.762 -0.082 0.000 1.766 229 H HN 0.181 nan 8.280 nan 0.000 0.589 230 D N 0.971 120.794 120.400 -0.961 0.000 2.694 230 D HA 0.174 4.897 4.640 0.139 0.000 0.260 230 D C -1.100 175.238 176.300 0.063 0.000 1.250 230 D CA -0.343 53.454 54.000 -0.339 0.000 0.763 230 D CB 1.662 42.418 40.800 -0.074 0.000 1.311 230 D HN 0.435 nan 8.370 nan 0.000 0.420 231 H N 0.169 119.270 119.070 0.051 0.000 2.942 231 H HA 0.366 5.007 4.556 0.141 0.000 0.316 231 H C -0.892 174.151 175.328 -0.474 0.000 1.323 231 H CA -1.076 54.869 56.048 -0.173 0.000 1.144 231 H CB 0.723 30.425 29.762 -0.100 0.000 1.866 231 H HN 0.408 nan 8.280 nan 0.000 0.545 232 M N 2.820 121.854 119.600 -0.943 0.000 3.237 232 M HA 0.186 4.749 4.480 0.139 0.000 0.266 232 M C -1.090 174.948 176.300 -0.437 0.000 1.456 232 M CA -0.424 54.402 55.300 -0.790 0.000 1.593 232 M CB -0.741 31.419 32.600 -0.734 0.000 1.129 232 M HN 0.286 nan 8.290 nan 0.000 0.547 233 V N 5.529 125.173 119.914 -0.450 0.000 2.470 233 V HA 0.166 4.369 4.120 0.139 0.000 0.276 233 V C 0.216 176.217 176.094 -0.156 0.000 1.040 233 V CA -0.183 61.916 62.300 -0.336 0.000 1.008 233 V CB 0.739 32.373 31.823 -0.316 0.000 0.990 233 V HN 0.637 nan 8.190 nan 0.000 0.477 234 L N 5.285 126.428 121.223 -0.132 0.000 2.295 234 L HA 0.437 4.860 4.340 0.139 0.000 0.285 234 L C 0.894 177.770 176.870 0.010 0.000 1.035 234 L CA -0.218 54.595 54.840 -0.045 0.000 0.806 234 L CB 1.765 43.792 42.059 -0.053 0.000 1.214 234 L HN 0.804 nan 8.230 nan 0.000 0.426 235 S N 0.912 116.627 115.700 0.024 0.000 2.563 235 S HA -0.059 4.495 4.470 0.139 0.000 0.269 235 S C 1.332 175.969 174.600 0.061 0.000 1.364 235 S CA -0.035 58.184 58.200 0.032 0.000 1.010 235 S CB 0.911 64.127 63.200 0.027 0.000 0.877 235 S HN 0.781 nan 8.310 nan 0.000 0.549 236 S N 0.627 116.356 115.700 0.048 0.000 2.500 236 S HA -0.114 4.439 4.470 0.139 0.000 0.239 236 S C 1.667 176.308 174.600 0.068 0.000 0.989 236 S CA 0.874 59.109 58.200 0.057 0.000 0.951 236 S CB -1.063 62.158 63.200 0.036 0.000 0.759 236 S HN 1.114 nan 8.310 nan 0.000 0.523 237 S N 0.247 115.986 115.700 0.065 0.000 2.503 237 S HA 0.238 4.791 4.470 0.139 0.000 0.217 237 S C 0.459 175.117 174.600 0.097 0.000 0.999 237 S CA -0.266 57.973 58.200 0.066 0.000 0.914 237 S CB -0.420 62.807 63.200 0.046 0.000 0.782 237 S HN 0.289 nan 8.310 nan 0.000 0.520 238 V N 3.839 123.829 119.914 0.128 0.000 2.439 238 V HA 0.285 4.488 4.120 0.139 0.000 0.271 238 V C 1.320 177.579 176.094 0.274 0.000 1.040 238 V CA 0.578 62.991 62.300 0.188 0.000 1.002 238 V CB 0.527 32.463 31.823 0.187 0.000 1.000 238 V HN 0.694 nan 8.190 nan 0.000 0.477 239 T N -0.025 114.686 114.554 0.262 0.000 3.040 239 T HA 0.159 4.593 4.350 0.139 0.000 0.266 239 T C -0.320 174.585 174.700 0.342 0.000 1.005 239 T CA -0.216 62.017 62.100 0.223 0.000 0.906 239 T CB 0.203 69.144 68.868 0.122 0.000 1.082 239 T HN 0.528 nan 8.240 nan 0.000 0.531 240 W N 1.248 122.676 121.300 0.213 0.000 3.326 240 W HA 0.670 5.412 4.660 0.138 0.000 0.333 240 W C -2.429 174.235 176.519 0.241 0.000 1.108 240 W CA -1.995 55.484 57.345 0.224 0.000 1.245 240 W CB 1.451 30.982 29.460 0.119 0.000 1.331 240 W HN -0.037 nan 8.180 nan 0.000 0.464 241 V N 8.498 128.812 119.914 0.666 0.000 2.487 241 V HA 0.555 4.758 4.120 0.139 0.000 0.298 241 V C -1.992 174.243 176.094 0.235 0.000 1.028 241 V CA -0.635 61.824 62.300 0.264 0.000 0.860 241 V CB 1.672 33.654 31.823 0.264 0.000 0.991 241 V HN 0.352 nan 8.190 nan 0.000 0.427 242 Y N 6.919 127.061 120.300 -0.264 0.000 2.341 242 Y HA 0.687 5.321 4.550 0.139 0.000 0.338 242 Y C -1.263 174.517 175.900 -0.200 0.000 0.965 242 Y CA -1.440 56.560 58.100 -0.167 0.000 1.108 242 Y CB 1.756 39.974 38.460 -0.404 0.000 1.180 242 Y HN 0.604 nan 8.280 nan 0.000 0.458 243 F N 5.750 125.442 119.950 -0.430 0.000 2.293 243 F HA 0.640 5.250 4.527 0.140 0.000 0.370 243 F C 0.627 175.979 175.800 -0.746 0.000 1.090 243 F CA -0.724 57.053 58.000 -0.372 0.000 1.133 243 F CB 0.510 39.428 39.000 -0.136 0.000 1.360 243 F HN 0.716 nan 8.300 nan 0.000 0.489 244 A N 4.484 126.913 122.820 -0.652 0.000 2.466 244 A HA 0.403 4.806 4.320 0.139 0.000 0.238 244 A C -2.437 174.976 177.584 -0.285 0.000 1.074 244 A CA -1.236 50.529 52.037 -0.454 0.000 0.774 244 A CB -0.230 18.740 19.000 -0.050 0.000 1.015 244 A HN 0.406 nan 8.150 nan 0.000 0.498 245 P HA 0.310 nan 4.420 nan 0.000 0.267 245 P C 0.919 177.615 177.300 -1.007 0.000 1.205 245 P CA 1.788 64.347 63.100 -0.902 0.000 0.765 245 P CB 0.813 31.980 31.700 -0.888 0.000 0.828 246 G N 2.089 110.118 108.800 -1.285 0.000 2.195 246 G HA2 -0.119 3.924 3.960 0.139 0.000 0.224 246 G HA3 -0.119 3.924 3.960 0.139 0.000 0.224 246 G C 0.283 175.205 174.900 0.038 0.000 0.990 246 G CA -0.034 44.697 45.100 -0.616 0.000 0.639 246 G HN 0.822 nan 8.290 nan 0.000 0.514 247 A N -0.255 122.606 122.820 0.068 0.000 2.309 247 A HA 0.746 5.149 4.320 0.139 0.000 0.298 247 A C -0.824 176.966 177.584 0.344 0.000 1.165 247 A CA -0.376 51.841 52.037 0.301 0.000 0.821 247 A CB 0.935 20.074 19.000 0.231 0.000 1.102 247 A HN 1.302 nan 8.150 nan 0.000 0.500 248 Y N 2.494 122.943 120.300 0.250 0.000 2.332 248 Y HA 0.502 5.135 4.550 0.137 0.000 0.326 248 Y C -1.046 174.946 175.900 0.154 0.000 0.978 248 Y CA -0.539 57.621 58.100 0.100 0.000 1.205 248 Y CB 1.673 40.076 38.460 -0.096 0.000 1.131 248 Y HN 0.435 nan 8.280 nan 0.000 0.462 249 V N 6.746 126.588 119.914 -0.121 0.000 2.357 249 V HA 0.360 4.564 4.120 0.139 0.000 0.284 249 V C -0.629 175.411 176.094 -0.090 0.000 1.018 249 V CA -1.080 61.199 62.300 -0.036 0.000 0.841 249 V CB 1.392 33.117 31.823 -0.164 0.000 0.991 249 V HN 0.607 nan 8.190 nan 0.000 0.437 250 K N 4.079 124.548 120.400 0.116 0.000 2.267 250 K HA 0.694 5.097 4.320 0.139 0.000 0.282 250 K C 0.454 177.183 176.600 0.215 0.000 1.078 250 K CA 0.025 56.380 56.287 0.115 0.000 0.903 250 K CB 1.349 33.959 32.500 0.184 0.000 1.111 250 K HN 0.979 nan 8.250 nan 0.000 0.475 251 G N 0.981 109.850 108.800 0.115 0.000 2.335 251 G HA2 0.549 4.592 3.960 0.139 0.000 0.291 251 G HA3 0.549 4.592 3.960 0.139 0.000 0.291 251 G C -1.930 173.001 174.900 0.051 0.000 1.261 251 G CA -0.413 44.760 45.100 0.123 0.000 0.871 251 G HN 0.590 nan 8.290 nan 0.000 0.491 252 A N -1.204 121.529 122.820 -0.144 0.000 2.520 252 A HA 0.776 5.179 4.320 0.139 0.000 0.298 252 A C -1.122 176.302 177.584 -0.267 0.000 1.051 252 A CA -0.438 51.441 52.037 -0.262 0.000 0.690 252 A CB 1.877 20.675 19.000 -0.337 0.000 1.281 252 A HN 1.602 nan 8.150 nan 0.000 0.402 253 V N 1.571 121.297 119.914 -0.315 0.000 2.439 253 V HA 0.582 4.785 4.120 0.139 0.000 0.282 253 V C 0.105 176.080 176.094 -0.200 0.000 1.039 253 V CA -0.192 61.966 62.300 -0.237 0.000 0.913 253 V CB 1.399 33.153 31.823 -0.114 0.000 0.983 253 V HN 0.924 nan 8.190 nan 0.000 0.460 254 E N 4.091 124.135 120.200 -0.260 0.000 2.283 254 E HA 0.433 4.866 4.350 0.139 0.000 0.258 254 E C -1.591 174.841 176.600 -0.281 0.000 0.893 254 E CA -0.560 55.707 56.400 -0.223 0.000 0.798 254 E CB 1.045 30.726 29.700 -0.033 0.000 1.242 254 E HN 0.492 nan 8.360 nan 0.000 0.414 255 F N 4.028 123.879 119.950 -0.167 0.000 2.412 255 F HA 0.241 4.851 4.527 0.139 0.000 0.348 255 F C 1.175 176.890 175.800 -0.142 0.000 1.102 255 F CA -0.370 57.566 58.000 -0.106 0.000 1.196 255 F CB 0.931 39.886 39.000 -0.074 0.000 1.144 255 F HN 0.525 nan 8.300 nan 0.000 0.541 256 L N 1.022 122.312 121.223 0.112 0.000 2.590 256 L HA 0.109 4.532 4.340 0.139 0.000 0.227 256 L C 1.065 177.970 176.870 0.058 0.000 1.099 256 L CA 0.111 54.973 54.840 0.037 0.000 0.872 256 L CB 0.079 42.148 42.059 0.018 0.000 1.088 256 L HN 0.566 nan 8.230 nan 0.000 0.479 257 S N 0.424 116.194 115.700 0.117 0.000 2.537 257 S HA 0.014 4.568 4.470 0.139 0.000 0.286 257 S C 1.192 175.824 174.600 0.054 0.000 1.299 257 S CA 0.018 58.270 58.200 0.087 0.000 1.067 257 S CB 0.601 63.869 63.200 0.113 0.000 0.864 257 S HN 0.390 nan 8.310 nan 0.000 0.494 258 T N 2.423 117.000 114.554 0.037 0.000 3.176 258 T HA 0.554 4.988 4.350 0.139 0.000 0.263 258 T C 0.603 175.318 174.700 0.024 0.000 1.021 258 T CA -0.007 62.112 62.100 0.032 0.000 0.905 258 T CB -0.039 68.842 68.868 0.021 0.000 1.057 258 T HN 0.732 nan 8.240 nan 0.000 0.558 259 A N 1.210 124.043 122.820 0.021 0.000 2.387 259 A HA 0.503 4.906 4.320 0.139 0.000 0.251 259 A C 1.775 179.356 177.584 -0.004 0.000 1.113 259 A CA -0.093 51.950 52.037 0.009 0.000 0.794 259 A CB -0.102 18.905 19.000 0.012 0.000 1.069 259 A HN 0.322 nan 8.150 nan 0.000 0.506 260 S N -0.713 114.978 115.700 -0.015 0.000 2.440 260 S HA -0.052 4.502 4.470 0.139 0.000 0.238 260 S C 0.683 175.255 174.600 -0.046 0.000 1.010 260 S CA 1.680 59.863 58.200 -0.030 0.000 0.972 260 S CB -0.164 63.016 63.200 -0.033 0.000 0.774 260 S HN 0.724 nan 8.310 nan 0.000 0.501 261 E N 0.264 120.433 120.200 -0.051 0.000 2.335 261 E HA 0.426 4.859 4.350 0.139 0.000 0.280 261 E C -1.598 174.945 176.600 -0.095 0.000 0.918 261 E CA -0.649 55.704 56.400 -0.079 0.000 0.765 261 E CB 1.901 31.537 29.700 -0.107 0.000 1.218 261 E HN 0.054 nan 8.360 nan 0.000 0.425 262 V N 1.142 120.973 119.914 -0.139 0.000 2.656 262 V HA 0.744 4.947 4.120 0.139 0.000 0.307 262 V C -0.759 175.223 176.094 -0.187 0.000 1.051 262 V CA -0.831 61.275 62.300 -0.324 0.000 0.893 262 V CB 1.566 32.894 31.823 -0.826 0.000 0.999 262 V HN 0.694 nan 8.190 nan 0.000 0.426 263 K N 3.064 123.432 120.400 -0.052 0.000 2.422 263 K HA 0.888 5.291 4.320 0.139 0.000 0.251 263 K C -1.044 175.862 176.600 0.509 0.000 0.933 263 K CA -0.413 55.924 56.287 0.083 0.000 0.798 263 K CB 2.344 34.695 32.500 -0.249 0.000 1.238 263 K HN 1.253 nan 8.250 nan 0.000 0.428 264 A N 2.346 125.434 122.820 0.446 0.000 2.332 264 A HA 0.616 5.020 4.320 0.139 0.000 0.300 264 A C -0.999 176.823 177.584 0.397 0.000 1.153 264 A CA -0.499 51.913 52.037 0.625 0.000 0.764 264 A CB 1.001 20.354 19.000 0.589 0.000 1.174 264 A HN 0.802 nan 8.150 nan 0.000 0.467 265 S N 1.204 117.268 115.700 0.606 0.000 2.720 265 S HA 0.989 5.542 4.470 0.139 0.000 0.287 265 S C 0.031 174.910 174.600 0.465 0.000 1.168 265 S CA -0.252 58.228 58.200 0.467 0.000 0.832 265 S CB 1.131 64.644 63.200 0.522 0.000 1.166 265 S HN 2.679 nan 8.310 nan 0.000 0.493 266 G N 0.086 109.065 108.800 0.298 0.000 2.629 266 G HA2 0.106 4.149 3.960 0.139 0.000 0.686 266 G HA3 0.106 4.149 3.960 0.139 0.000 0.686 266 G C -0.801 174.070 174.900 -0.047 0.000 1.232 266 G CA -0.466 44.698 45.100 0.107 0.000 0.803 266 G HN 1.034 nan 8.290 nan 0.000 0.638 267 H N 0.314 119.414 119.070 0.050 0.000 2.537 267 H HA 0.435 5.074 4.556 0.139 0.000 0.295 267 H C 1.707 177.069 175.328 0.056 0.000 1.054 267 H CA 0.829 56.935 56.048 0.097 0.000 1.156 267 H CB 0.322 30.192 29.762 0.181 0.000 1.468 267 H HN 0.807 nan 8.280 nan 0.000 0.551 268 G N -0.104 108.724 108.800 0.047 0.000 2.553 268 G HA2 0.362 4.405 3.960 0.139 0.000 0.278 268 G HA3 0.362 4.405 3.960 0.139 0.000 0.278 268 G C -0.572 174.333 174.900 0.010 0.000 1.349 268 G CA -0.375 44.752 45.100 0.045 0.000 1.037 268 G HN 0.141 nan 8.290 nan 0.000 0.508 269 V N -0.139 119.733 119.914 -0.071 0.000 2.628 269 V HA 0.490 4.693 4.120 0.139 0.000 0.306 269 V C -0.674 175.123 176.094 -0.496 0.000 1.045 269 V CA -0.642 61.497 62.300 -0.268 0.000 0.905 269 V CB 1.613 33.245 31.823 -0.320 0.000 0.997 269 V HN 0.575 nan 8.190 nan 0.000 0.436 270 L N 3.971 124.869 121.223 -0.542 0.000 2.342 270 L HA 0.705 5.128 4.340 0.139 0.000 0.276 270 L C -0.176 176.456 176.870 -0.397 0.000 0.997 270 L CA 0.397 54.904 54.840 -0.554 0.000 0.838 270 L CB 1.639 43.246 42.059 -0.753 0.000 1.224 270 L HN 0.680 nan 8.230 nan 0.000 0.416 271 S N 2.696 118.191 115.700 -0.342 0.000 2.473 271 S HA 0.685 5.238 4.470 0.139 0.000 0.307 271 S C 0.731 175.324 174.600 -0.012 0.000 1.094 271 S CA -0.106 57.993 58.200 -0.167 0.000 1.070 271 S CB 1.340 64.444 63.200 -0.160 0.000 1.019 271 S HN 0.853 nan 8.310 nan 0.000 0.480 272 G N 2.943 111.791 108.800 0.081 0.000 3.448 272 G HA2 0.121 4.164 3.960 0.139 0.000 0.261 272 G HA3 0.121 4.164 3.960 0.139 0.000 0.261 272 G C 0.940 175.993 174.900 0.255 0.000 1.173 272 G CA 0.008 45.273 45.100 0.275 0.000 0.835 272 G HN 0.904 nan 8.290 nan 0.000 0.534 273 E N 0.046 120.337 120.200 0.152 0.000 2.267 273 E HA -0.232 4.201 4.350 0.139 0.000 0.197 273 E C 1.659 178.311 176.600 0.086 0.000 0.998 273 E CA 0.836 57.330 56.400 0.157 0.000 0.830 273 E CB -0.179 29.620 29.700 0.165 0.000 0.751 273 E HN 0.546 nan 8.360 nan 0.000 0.491 274 Q N -0.245 119.498 119.800 -0.094 0.000 2.432 274 Q HA 0.028 4.451 4.340 0.139 0.000 0.205 274 Q C -0.322 175.548 176.000 -0.216 0.000 0.945 274 Q CA 0.279 55.959 55.803 -0.206 0.000 0.924 274 Q CB 0.138 28.666 28.738 -0.351 0.000 1.016 274 Q HN 0.346 nan 8.270 nan 0.000 0.503 275 Y N 0.683 121.070 120.300 0.145 0.000 2.308 275 Y HA 0.197 4.828 4.550 0.135 0.000 0.329 275 Y C 0.601 176.617 175.900 0.194 0.000 1.111 275 Y CA -1.525 56.665 58.100 0.150 0.000 1.179 275 Y CB 0.600 39.136 38.460 0.126 0.000 1.201 275 Y HN -0.195 nan 8.280 nan 0.000 0.483 276 V N -0.338 119.764 119.914 0.313 0.000 3.185 276 V HA 0.118 4.321 4.120 0.139 0.000 0.305 276 V C -0.084 176.095 176.094 0.141 0.000 1.090 276 V CA -1.491 60.953 62.300 0.241 0.000 1.107 276 V CB 0.442 32.378 31.823 0.187 0.000 1.061 276 V HN 0.865 nan 8.190 nan 0.000 0.480 277 W N 3.210 124.340 121.300 -0.283 0.000 2.257 277 W HA 0.228 4.972 4.660 0.140 0.000 0.337 277 W C 0.314 176.687 176.519 -0.244 0.000 1.321 277 W CA 0.321 57.344 57.345 -0.536 0.000 1.267 277 W CB -0.473 28.411 29.460 -0.959 0.000 1.187 277 W HN 0.795 nan 8.180 nan 0.000 0.565 278 Y N 2.190 121.869 120.300 -1.035 0.000 4.177 278 Y HA -0.283 4.342 4.550 0.125 0.000 0.227 278 Y C 0.897 176.379 175.900 -0.697 0.000 1.154 278 Y CA 0.332 57.723 58.100 -1.182 0.000 1.887 278 Y CB -1.782 35.715 38.460 -1.606 0.000 1.594 278 Y HN 0.655 nan 8.280 nan 0.000 0.668 279 A N 1.192 123.870 122.820 -0.237 0.000 2.566 279 A HA 0.227 4.630 4.320 0.139 0.000 0.245 279 A C 0.432 177.864 177.584 -0.254 0.000 1.056 279 A CA 0.675 52.637 52.037 -0.124 0.000 0.757 279 A CB 0.029 19.070 19.000 0.068 0.000 0.979 279 A HN 0.376 nan 8.150 nan 0.000 0.508 280 D N 3.625 123.868 120.400 -0.261 0.000 2.412 280 D HA 0.372 5.095 4.640 0.139 0.000 0.224 280 D C -1.912 174.077 176.300 -0.518 0.000 1.093 280 D CA -2.041 51.752 54.000 -0.346 0.000 0.850 280 D CB 1.415 42.046 40.800 -0.282 0.000 1.046 280 D HN 0.144 nan 8.370 nan 0.000 0.507 281 P HA -0.040 nan 4.420 nan 0.000 0.225 281 P C 0.281 177.208 177.300 -0.621 0.000 1.148 281 P CA 0.777 63.204 63.100 -1.123 0.000 0.779 281 P CB 0.421 31.666 31.700 -0.759 0.000 0.780 282 D N -1.115 119.066 120.400 -0.366 0.000 2.349 282 D HA 0.015 4.738 4.640 0.139 0.000 0.214 282 D C 0.428 176.635 176.300 -0.154 0.000 1.063 282 D CA 0.633 54.511 54.000 -0.203 0.000 0.847 282 D CB 0.246 40.955 40.800 -0.153 0.000 0.933 282 D HN 0.174 nan 8.370 nan 0.000 0.513 283 E N -0.039 120.051 120.200 -0.184 0.000 3.858 283 E HA 0.295 4.728 4.350 0.139 0.000 0.208 283 E C 0.830 177.401 176.600 -0.048 0.000 1.041 283 E CA -0.574 55.763 56.400 -0.105 0.000 1.368 283 E CB 0.579 30.209 29.700 -0.118 0.000 1.176 283 E HN 0.142 nan 8.360 nan 0.000 0.448 284 G N 1.008 109.814 108.800 0.010 0.000 2.168 284 G HA2 -0.407 3.637 3.960 0.139 0.000 0.257 284 G HA3 -0.407 3.637 3.960 0.139 0.000 0.257 284 G C 0.395 175.507 174.900 0.354 0.000 0.997 284 G CA 0.572 45.785 45.100 0.189 0.000 0.708 284 G HN 0.460 nan 8.290 nan 0.000 0.520 285 Y N -2.593 117.731 120.300 0.041 0.000 4.490 285 Y HA -0.240 4.392 4.550 0.137 0.000 0.233 285 Y C 1.385 177.308 175.900 0.039 0.000 1.101 285 Y CA 1.195 59.325 58.100 0.051 0.000 2.010 285 Y CB -1.664 36.898 38.460 0.171 0.000 1.622 285 Y HN 0.564 nan 8.280 nan 0.000 0.675 286 Q N 1.089 120.941 119.800 0.086 0.000 2.318 286 Q HA 0.225 4.649 4.340 0.139 0.000 0.222 286 Q C 0.548 176.517 176.000 -0.051 0.000 1.003 286 Q CA -0.679 55.148 55.803 0.041 0.000 0.936 286 Q CB 0.669 29.415 28.738 0.014 0.000 1.204 286 Q HN 0.333 nan 8.270 nan 0.000 0.524 287 K N 0.527 120.884 120.400 -0.071 0.000 2.484 287 K HA 0.145 4.548 4.320 0.139 0.000 0.280 287 K C -0.452 175.969 176.600 -0.298 0.000 1.013 287 K CA -0.073 56.097 56.287 -0.195 0.000 1.029 287 K CB 0.365 32.765 32.500 -0.166 0.000 0.902 287 K HN 0.639 nan 8.250 nan 0.000 0.481 288 A N 3.717 126.252 122.820 -0.475 0.000 2.531 288 A HA 0.093 4.496 4.320 0.139 0.000 0.236 288 A C -0.256 177.006 177.584 -0.538 0.000 1.062 288 A CA 0.011 51.725 52.037 -0.538 0.000 0.760 288 A CB 0.268 18.832 19.000 -0.727 0.000 0.995 288 A HN 0.760 nan 8.150 nan 0.000 0.501 289 S N 0.657 116.143 115.700 -0.356 0.000 2.562 289 S HA 0.501 5.054 4.470 0.139 0.000 0.275 289 S C 1.082 175.517 174.600 -0.276 0.000 1.281 289 S CA 0.419 58.460 58.200 -0.265 0.000 1.045 289 S CB 1.091 64.192 63.200 -0.166 0.000 0.962 289 S HN 2.148 nan 8.310 nan 0.000 0.503 290 G N 1.969 110.638 108.800 -0.219 0.000 2.393 290 G HA2 -0.029 4.014 3.960 0.139 0.000 0.299 290 G HA3 -0.029 4.014 3.960 0.139 0.000 0.299 290 G C 0.592 175.375 174.900 -0.195 0.000 0.990 290 G CA 0.275 45.277 45.100 -0.163 0.000 1.118 290 G HN 1.932 nan 8.290 nan 0.000 0.513 291 A N -0.396 122.227 122.820 -0.328 0.000 2.500 291 A HA -0.246 4.157 4.320 0.139 0.000 0.296 291 A C 1.747 179.265 177.584 -0.110 0.000 1.469 291 A CA 1.779 53.654 52.037 -0.269 0.000 0.793 291 A CB -1.485 17.524 19.000 0.014 0.000 1.042 291 A HN 2.319 nan 8.150 nan 0.000 0.409 292 N N 0.274 118.843 118.700 -0.218 0.000 2.571 292 N HA -0.047 4.776 4.740 0.139 0.000 0.189 292 N C 0.521 176.020 175.510 -0.019 0.000 1.154 292 N CA 0.921 53.908 53.050 -0.104 0.000 0.907 292 N CB -0.455 37.942 38.487 -0.149 0.000 0.977 292 N HN 0.890 nan 8.380 nan 0.000 0.449 293 N N -1.054 117.710 118.700 0.106 0.000 2.753 293 N HA -0.261 4.562 4.740 0.139 0.000 0.251 293 N C -0.612 174.899 175.510 0.002 0.000 1.097 293 N CA 1.015 54.144 53.050 0.131 0.000 0.786 293 N CB -1.886 36.655 38.487 0.090 0.000 1.137 293 N HN 0.538 nan 8.380 nan 0.000 0.566 294 N N -0.328 118.317 118.700 -0.091 0.000 2.320 294 N HA 0.303 5.126 4.740 0.139 0.000 0.237 294 N C 0.365 175.690 175.510 -0.309 0.000 1.129 294 N CA 0.528 53.477 53.050 -0.169 0.000 0.854 294 N CB 0.023 38.411 38.487 -0.164 0.000 1.083 294 N HN 0.437 nan 8.380 nan 0.000 0.504 295 G N 0.328 108.747 108.800 -0.636 0.000 2.491 295 G HA2 0.185 4.228 3.960 0.139 0.000 0.238 295 G HA3 0.185 4.228 3.960 0.139 0.000 0.238 295 G C -0.191 174.486 174.900 -0.371 0.000 1.277 295 G CA -0.430 44.175 45.100 -0.825 0.000 0.851 295 G HN 0.358 nan 8.290 nan 0.000 0.573 296 L N 1.250 122.261 121.223 -0.353 0.000 2.477 296 L HA 0.341 4.764 4.340 0.139 0.000 0.272 296 L C 0.762 177.500 176.870 -0.220 0.000 1.157 296 L CA -0.194 54.429 54.840 -0.363 0.000 0.889 296 L CB 0.280 42.007 42.059 -0.553 0.000 1.158 296 L HN 0.433 nan 8.230 nan 0.000 0.473 297 R N 4.062 124.452 120.500 -0.185 0.000 2.500 297 R HA 0.304 4.727 4.340 0.139 0.000 0.275 297 R C 1.028 177.211 176.300 -0.194 0.000 1.051 297 R CA -0.357 55.682 56.100 -0.101 0.000 1.088 297 R CB 0.692 30.979 30.300 -0.021 0.000 1.063 297 R HN 0.624 nan 8.270 nan 0.000 0.511 298 M N 0.169 119.652 119.600 -0.195 0.000 2.349 298 M HA 0.043 4.607 4.480 0.139 0.000 0.266 298 M C -0.387 175.555 176.300 -0.597 0.000 1.076 298 M CA 0.970 56.005 55.300 -0.442 0.000 1.126 298 M CB -0.039 32.259 32.600 -0.503 0.000 1.392 298 M HN 0.436 nan 8.290 nan 0.000 0.440 299 W N 0.500 121.836 121.300 0.059 0.000 2.619 299 W HA 0.534 5.278 4.660 0.140 0.000 0.327 299 W C -0.152 176.359 176.519 -0.014 0.000 1.027 299 W CA -0.837 56.560 57.345 0.086 0.000 1.233 299 W CB 1.234 30.865 29.460 0.284 0.000 1.370 299 W HN -0.096 nan 8.180 nan 0.000 0.453 300 R N 2.018 122.486 120.500 -0.053 0.000 2.651 300 R HA 0.852 5.275 4.340 0.139 0.000 0.278 300 R C -0.653 175.074 176.300 -0.954 0.000 1.010 300 R CA -0.492 55.359 56.100 -0.416 0.000 0.896 300 R CB 1.775 31.937 30.300 -0.230 0.000 1.211 300 R HN 0.622 nan 8.270 nan 0.000 0.456 301 G N 0.289 108.031 108.800 -1.764 0.000 2.725 301 G HA2 0.607 4.650 3.960 0.139 0.000 0.288 301 G HA3 0.607 4.650 3.960 0.139 0.000 0.288 301 G C -1.472 172.769 174.900 -1.099 0.000 1.399 301 G CA -0.522 43.555 45.100 -1.706 0.000 0.859 301 G HN 0.464 nan 8.290 nan 0.000 0.479 302 T N 0.698 114.939 114.554 -0.522 0.000 2.921 302 T HA 0.505 4.938 4.350 0.139 0.000 0.297 302 T C -0.142 174.529 174.700 -0.048 0.000 1.013 302 T CA -0.280 61.690 62.100 -0.218 0.000 0.990 302 T CB 1.238 70.025 68.868 -0.134 0.000 1.023 302 T HN 0.394 nan 8.240 nan 0.000 0.447 303 L N 1.932 123.172 121.223 0.028 0.000 2.421 303 L HA 0.712 5.135 4.340 0.139 0.000 0.263 303 L C 1.280 178.162 176.870 0.018 0.000 1.122 303 L CA -0.384 54.489 54.840 0.055 0.000 0.804 303 L CB 0.796 42.889 42.059 0.058 0.000 1.150 303 L HN 0.809 nan 8.230 nan 0.000 0.457 304 G N 0.210 109.020 108.800 0.017 0.000 3.392 304 G HA2 0.056 4.099 3.960 0.139 0.000 0.188 304 G HA3 0.056 4.099 3.960 0.139 0.000 0.188 304 G C 0.332 175.234 174.900 0.004 0.000 1.485 304 G CA -0.067 45.038 45.100 0.008 0.000 0.943 304 G HN 0.693 nan 8.290 nan 0.000 0.627 305 N N -0.345 118.356 118.700 0.001 0.000 2.235 305 N HA 0.148 4.971 4.740 0.139 0.000 0.231 305 N C -0.062 175.445 175.510 -0.005 0.000 1.177 305 N CA 0.236 53.285 53.050 -0.002 0.000 0.874 305 N CB 0.518 39.005 38.487 -0.001 0.000 1.097 305 N HN 0.373 nan 8.380 nan 0.000 0.518 306 S N -1.391 114.305 115.700 -0.006 0.000 2.599 306 S HA 0.599 5.153 4.470 0.139 0.000 0.287 306 S C -0.417 174.173 174.600 -0.017 0.000 1.105 306 S CA -0.699 57.495 58.200 -0.011 0.000 0.899 306 S CB 1.428 64.623 63.200 -0.009 0.000 1.100 306 S HN 0.048 nan 8.310 nan 0.000 0.482 307 S N 1.274 116.958 115.700 -0.027 0.000 2.568 307 S HA 0.275 4.828 4.470 0.139 0.000 0.282 307 S C -0.176 174.401 174.600 -0.039 0.000 1.338 307 S CA -0.325 57.850 58.200 -0.041 0.000 1.045 307 S CB 0.210 63.383 63.200 -0.045 0.000 0.873 307 S HN 0.730 nan 8.310 nan 0.000 0.516 308 Q N 0.851 120.618 119.800 -0.054 0.000 2.359 308 Q HA 0.445 4.868 4.340 0.139 0.000 0.274 308 Q C -1.643 174.304 176.000 -0.088 0.000 1.074 308 Q CA -0.555 55.222 55.803 -0.045 0.000 0.810 308 Q CB 1.706 30.454 28.738 0.016 0.000 1.342 308 Q HN 0.606 nan 8.270 nan 0.000 0.427 309 T N 3.195 117.700 114.554 -0.080 0.000 2.792 309 T HA 0.407 4.840 4.350 0.139 0.000 0.280 309 T C -1.346 173.313 174.700 -0.067 0.000 0.990 309 T CA -0.326 61.712 62.100 -0.104 0.000 0.960 309 T CB 0.414 69.215 68.868 -0.112 0.000 0.939 309 T HN 0.407 nan 8.240 nan 0.000 0.439 310 F N 4.982 124.744 119.950 -0.313 0.000 2.361 310 F HA 0.585 5.195 4.527 0.138 0.000 0.364 310 F C -0.784 174.836 175.800 -0.300 0.000 1.120 310 F CA -1.592 56.209 58.000 -0.333 0.000 1.102 310 F CB 0.384 39.056 39.000 -0.547 0.000 1.183 310 F HN 0.231 nan 8.300 nan 0.000 0.476 311 V N 8.026 127.680 119.914 -0.433 0.000 2.383 311 V HA 0.353 4.557 4.120 0.139 0.000 0.275 311 V C -0.725 174.888 176.094 -0.801 0.000 1.036 311 V CA -0.656 61.316 62.300 -0.545 0.000 0.889 311 V CB 1.156 32.780 31.823 -0.332 0.000 0.985 311 V HN 0.622 nan 8.190 nan 0.000 0.459 312 L N 6.048 126.705 121.223 -0.944 0.000 2.372 312 L HA 0.663 5.086 4.340 0.139 0.000 0.274 312 L C -0.693 175.871 176.870 -0.509 0.000 0.988 312 L CA 0.106 54.389 54.840 -0.928 0.000 0.833 312 L CB 1.428 42.625 42.059 -1.437 0.000 1.236 312 L HN 0.660 nan 8.230 nan 0.000 0.410 313 N N 3.247 121.783 118.700 -0.273 0.000 2.397 313 N HA 0.505 5.328 4.740 0.139 0.000 0.291 313 N C 0.596 176.036 175.510 -0.117 0.000 1.065 313 N CA 0.557 53.518 53.050 -0.149 0.000 0.884 313 N CB 2.216 40.650 38.487 -0.088 0.000 1.551 313 N HN 0.837 nan 8.380 nan 0.000 0.487 314 G N 1.480 110.175 108.800 -0.175 0.000 2.396 314 G HA2 -0.300 3.743 3.960 0.139 0.000 0.242 314 G HA3 -0.300 3.743 3.960 0.139 0.000 0.242 314 G C 0.110 174.820 174.900 -0.317 0.000 1.069 314 G CA 0.596 45.397 45.100 -0.498 0.000 0.633 314 G HN 0.591 nan 8.290 nan 0.000 0.517 315 V N 1.796 121.675 119.914 -0.058 0.000 2.901 315 V HA 0.407 4.611 4.120 0.139 0.000 0.307 315 V C 0.923 177.021 176.094 0.007 0.000 1.084 315 V CA 1.147 63.471 62.300 0.041 0.000 1.184 315 V CB 1.277 33.214 31.823 0.190 0.000 0.941 315 V HN 0.371 nan 8.190 nan 0.000 0.493 316 T N 4.130 118.639 114.554 -0.075 0.000 2.770 316 T HA 0.461 4.894 4.350 0.139 0.000 0.283 316 T C -0.361 174.211 174.700 -0.213 0.000 0.988 316 T CA -0.249 61.730 62.100 -0.202 0.000 0.957 316 T CB 1.339 70.168 68.868 -0.066 0.000 0.930 316 T HN 0.396 nan 8.240 nan 0.000 0.443 317 V N 3.407 123.175 119.914 -0.243 0.000 2.427 317 V HA 0.670 4.874 4.120 0.139 0.000 0.286 317 V C 0.152 176.100 176.094 -0.244 0.000 1.034 317 V CA -0.311 61.883 62.300 -0.176 0.000 0.893 317 V CB 1.829 33.671 31.823 0.032 0.000 0.982 317 V HN 0.880 nan 8.190 nan 0.000 0.452 318 S N 3.833 119.409 115.700 -0.207 0.000 2.568 318 S HA 0.715 5.268 4.470 0.139 0.000 0.293 318 S C 0.150 174.734 174.600 -0.027 0.000 1.089 318 S CA 0.141 58.239 58.200 -0.169 0.000 0.945 318 S CB 1.560 64.694 63.200 -0.109 0.000 1.077 318 S HN 2.230 nan 8.310 nan 0.000 0.485 319 A N 3.051 125.884 122.820 0.022 0.000 2.466 319 A HA -0.065 4.338 4.320 0.139 0.000 0.295 319 A C -2.437 175.241 177.584 0.157 0.000 1.465 319 A CA 0.470 52.571 52.037 0.105 0.000 0.744 319 A CB -1.896 17.203 19.000 0.164 0.000 1.098 319 A HN 0.561 nan 8.150 nan 0.000 0.402 320 P HA 0.206 nan 4.420 nan 0.000 0.276 320 P C -1.940 175.542 177.300 0.304 0.000 1.230 320 P CA -1.339 61.846 63.100 0.143 0.000 0.776 320 P CB 0.688 32.432 31.700 0.074 0.000 0.888 321 P HA 0.079 nan 4.420 nan 0.000 0.240 321 P C 0.151 177.600 177.300 0.249 0.000 1.190 321 P CA 0.728 64.036 63.100 0.346 0.000 0.781 321 P CB 0.343 32.173 31.700 0.216 0.000 0.931 322 F N -0.902 119.008 119.950 -0.066 0.000 3.698 322 F HA 0.303 4.906 4.527 0.127 0.000 0.330 322 F C -0.664 175.065 175.800 -0.117 0.000 1.176 322 F CA -1.098 56.765 58.000 -0.228 0.000 0.899 322 F CB 0.433 39.143 39.000 -0.483 0.000 1.645 322 F HN -0.438 nan 8.300 nan 0.000 0.522 323 N N 1.030 119.259 118.700 -0.786 0.000 2.407 323 N HA 0.022 4.845 4.740 0.139 0.000 0.250 323 N C 0.573 176.000 175.510 -0.138 0.000 1.236 323 N CA 0.573 53.334 53.050 -0.482 0.000 0.879 323 N CB 1.061 39.249 38.487 -0.498 0.000 1.088 323 N HN 0.554 nan 8.380 nan 0.000 0.450 324 S N 2.649 118.324 115.700 -0.041 0.000 2.402 324 S HA -0.074 4.479 4.470 0.139 0.000 0.229 324 S C 0.722 175.435 174.600 0.190 0.000 1.021 324 S CA 0.771 59.025 58.200 0.090 0.000 0.974 324 S CB 0.214 63.538 63.200 0.207 0.000 0.800 324 S HN 0.652 nan 8.310 nan 0.000 0.484 325 M N 0.909 120.622 119.600 0.187 0.000 2.414 325 M HA 0.461 5.025 4.480 0.139 0.000 0.287 325 M C -2.649 173.811 176.300 0.267 0.000 1.181 325 M CA -0.162 55.322 55.300 0.308 0.000 0.933 325 M CB 2.153 35.038 32.600 0.475 0.000 1.732 325 M HN 0.100 nan 8.290 nan 0.000 0.486 326 D N 2.582 123.205 120.400 0.371 0.000 2.787 326 D HA 0.301 5.024 4.640 0.139 0.000 0.215 326 D C -1.804 174.812 176.300 0.527 0.000 1.246 326 D CA -0.128 54.127 54.000 0.425 0.000 0.798 326 D CB 1.958 42.902 40.800 0.240 0.000 1.649 326 D HN 0.622 nan 8.370 nan 0.000 0.507 327 W N 0.818 122.249 121.300 0.218 0.000 2.448 327 W HA 0.351 5.093 4.660 0.137 0.000 0.339 327 W C -0.003 176.521 176.519 0.008 0.000 1.124 327 W CA -0.548 56.825 57.345 0.048 0.000 1.262 327 W CB 1.992 31.384 29.460 -0.113 0.000 1.251 327 W HN 0.153 nan 8.180 nan 0.000 0.597 328 S N 1.141 116.851 115.700 0.016 0.000 2.489 328 S HA 0.822 5.375 4.470 0.139 0.000 0.291 328 S C 0.036 174.647 174.600 0.019 0.000 1.151 328 S CA -0.418 57.784 58.200 0.003 0.000 1.082 328 S CB 1.667 64.829 63.200 -0.063 0.000 1.019 328 S HN 0.717 nan 8.310 nan 0.000 0.492 329 G N 1.660 110.476 108.800 0.025 0.000 2.340 329 G HA2 0.147 4.190 3.960 0.139 0.000 0.300 329 G HA3 0.147 4.190 3.960 0.139 0.000 0.300 329 G C -0.397 174.515 174.900 0.021 0.000 1.488 329 G CA -0.949 44.161 45.100 0.017 0.000 0.878 329 G HN 0.584 nan 8.290 nan 0.000 0.618 330 N N -0.830 117.879 118.700 0.015 0.000 2.376 330 N HA 0.090 4.913 4.740 0.139 0.000 0.177 330 N C 0.396 175.921 175.510 0.026 0.000 1.024 330 N CA 0.673 53.737 53.050 0.023 0.000 0.893 330 N CB 0.247 38.745 38.487 0.018 0.000 0.980 330 N HN 0.256 nan 8.380 nan 0.000 0.439 331 S N 0.674 116.379 115.700 0.008 0.000 2.653 331 S HA 0.314 4.867 4.470 0.139 0.000 0.272 331 S C 0.625 175.195 174.600 -0.048 0.000 1.221 331 S CA -0.455 57.746 58.200 0.002 0.000 1.149 331 S CB 1.147 64.348 63.200 0.001 0.000 1.029 331 S HN 0.152 nan 8.310 nan 0.000 0.481 332 L N 2.177 123.364 121.223 -0.061 0.000 2.650 332 L HA 0.004 4.427 4.340 0.139 0.000 0.235 332 L C 1.848 178.544 176.870 -0.291 0.000 1.149 332 L CA 0.439 55.126 54.840 -0.255 0.000 0.887 332 L CB -0.270 41.636 42.059 -0.255 0.000 1.021 332 L HN 0.634 nan 8.230 nan 0.000 0.441 333 D N -0.329 120.003 120.400 -0.115 0.000 2.355 333 D HA -0.108 4.615 4.640 0.139 0.000 0.218 333 D C 1.693 177.930 176.300 -0.106 0.000 1.004 333 D CA 0.397 54.350 54.000 -0.078 0.000 0.880 333 D CB 0.255 41.057 40.800 0.004 0.000 0.911 333 D HN 0.281 nan 8.370 nan 0.000 0.528 334 L N 0.195 121.339 121.223 -0.131 0.000 2.558 334 L HA 0.255 4.678 4.340 0.139 0.000 0.225 334 L C 0.603 177.378 176.870 -0.160 0.000 1.128 334 L CA 0.185 54.959 54.840 -0.111 0.000 0.868 334 L CB -0.274 41.741 42.059 -0.073 0.000 1.006 334 L HN 0.083 nan 8.230 nan 0.000 0.454 335 I N -1.761 118.641 120.570 -0.280 0.000 2.493 335 I HA 0.551 4.805 4.170 0.139 0.000 0.298 335 I C -0.103 175.849 176.117 -0.275 0.000 0.998 335 I CA 0.018 61.100 61.300 -0.363 0.000 1.137 335 I CB 1.908 39.487 38.000 -0.701 0.000 1.310 335 I HN -0.110 nan 8.210 nan 0.000 0.445 336 T N 5.811 120.244 114.554 -0.202 0.000 2.883 336 T HA 0.658 5.091 4.350 0.139 0.000 0.301 336 T C -1.492 173.127 174.700 -0.136 0.000 1.158 336 T CA -0.370 61.660 62.100 -0.116 0.000 1.007 336 T CB 0.590 69.401 68.868 -0.095 0.000 1.186 336 T HN 0.717 nan 8.240 nan 0.000 0.499 337 C N 3.300 122.525 119.300 -0.124 0.000 2.561 337 C HA 0.820 5.363 4.460 0.139 0.000 0.319 337 C C -0.503 174.357 174.990 -0.218 0.000 1.198 337 C CA -1.065 57.836 59.018 -0.194 0.000 1.665 337 C CB 1.167 28.788 27.740 -0.198 0.000 2.258 337 C HN 0.751 nan 8.230 nan 0.000 0.493 338 R N 1.976 122.293 120.500 -0.306 0.000 2.472 338 R HA 0.550 4.973 4.340 0.139 0.000 0.294 338 R C -1.528 174.554 176.300 -0.363 0.000 1.243 338 R CA -0.245 55.694 56.100 -0.269 0.000 1.023 338 R CB 1.290 31.453 30.300 -0.230 0.000 1.157 338 R HN 0.592 nan 8.270 nan 0.000 0.530 339 V N 2.796 122.518 119.914 -0.320 0.000 2.459 339 V HA 0.480 4.683 4.120 0.139 0.000 0.295 339 V C -0.381 175.574 176.094 -0.231 0.000 1.029 339 V CA -0.725 61.360 62.300 -0.360 0.000 0.874 339 V CB 2.235 33.829 31.823 -0.383 0.000 0.985 339 V HN 0.589 nan 8.190 nan 0.000 0.438 340 D N 2.126 122.406 120.400 -0.200 0.000 2.859 340 D HA 0.435 5.158 4.640 0.139 0.000 0.223 340 D C -0.608 175.650 176.300 -0.070 0.000 1.218 340 D CA -0.422 53.508 54.000 -0.116 0.000 0.850 340 D CB 1.573 42.319 40.800 -0.089 0.000 1.656 340 D HN 0.658 nan 8.370 nan 0.000 0.484 341 D N 1.184 121.557 120.400 -0.046 0.000 2.697 341 D HA -0.275 4.448 4.640 0.139 0.000 0.235 341 D C -1.571 174.703 176.300 -0.043 0.000 1.167 341 D CA 0.935 54.923 54.000 -0.021 0.000 0.656 341 D CB -0.926 39.916 40.800 0.070 0.000 1.025 341 D HN 0.365 nan 8.370 nan 0.000 0.419 342 Y N 0.236 120.392 120.300 -0.239 0.000 2.446 342 Y HA 0.629 5.262 4.550 0.137 0.000 0.345 342 Y C -0.720 174.984 175.900 -0.327 0.000 0.984 342 Y CA -0.824 57.117 58.100 -0.265 0.000 1.058 342 Y CB 1.270 39.573 38.460 -0.261 0.000 1.220 342 Y HN -0.107 nan 8.280 nan 0.000 0.455 343 K N 3.686 123.436 120.400 -1.083 0.000 2.426 343 K HA 0.410 4.813 4.320 0.139 0.000 0.251 343 K C -1.673 174.387 176.600 -0.901 0.000 0.941 343 K CA -0.896 54.833 56.287 -0.929 0.000 0.808 343 K CB 2.072 33.938 32.500 -1.056 0.000 1.265 343 K HN 0.618 nan 8.250 nan 0.000 0.432 344 Q N 1.948 121.506 119.800 -0.404 0.000 2.327 344 Q HA 0.594 5.018 4.340 0.139 0.000 0.270 344 Q C -1.113 174.896 176.000 0.014 0.000 1.022 344 Q CA -0.821 54.882 55.803 -0.168 0.000 0.773 344 Q CB 1.436 30.226 28.738 0.087 0.000 1.251 344 Q HN 0.580 nan 8.270 nan 0.000 0.457 345 V N 0.228 120.043 119.914 -0.165 0.000 3.126 345 V HA 0.895 5.098 4.120 0.139 0.000 0.314 345 V C 0.660 176.629 176.094 -0.208 0.000 1.138 345 V CA -0.064 62.114 62.300 -0.202 0.000 1.034 345 V CB 1.358 32.804 31.823 -0.628 0.000 1.075 345 V HN 0.982 nan 8.190 nan 0.000 0.442 346 G N 0.650 109.291 108.800 -0.266 0.000 2.283 346 G HA2 -0.023 4.020 3.960 0.139 0.000 0.280 346 G HA3 -0.023 4.020 3.960 0.139 0.000 0.280 346 G C 0.493 175.222 174.900 -0.284 0.000 1.029 346 G CA 0.506 45.427 45.100 -0.298 0.000 0.840 346 G HN 2.238 nan 8.290 nan 0.000 0.505 347 A N -0.362 122.346 122.820 -0.186 0.000 3.168 347 A HA 0.706 5.109 4.320 0.139 0.000 0.260 347 A C 0.988 178.361 177.584 -0.352 0.000 1.598 347 A CA -0.143 51.761 52.037 -0.221 0.000 1.285 347 A CB -0.412 18.465 19.000 -0.205 0.000 1.149 347 A HN 0.471 nan 8.150 nan 0.000 0.630 348 F N -0.480 119.442 119.950 -0.046 0.000 2.661 348 F HA 0.055 4.661 4.527 0.133 0.000 0.298 348 F C 0.492 176.254 175.800 -0.064 0.000 1.137 348 F CA 0.291 58.247 58.000 -0.074 0.000 1.454 348 F CB -0.213 38.724 39.000 -0.105 0.000 1.103 348 F HN 0.418 nan 8.300 nan 0.000 0.577 349 Y N 0.636 121.043 120.300 0.178 0.000 2.314 349 Y HA 0.439 5.072 4.550 0.140 0.000 0.334 349 Y C 1.113 177.048 175.900 0.058 0.000 1.266 349 Y CA -1.277 56.871 58.100 0.079 0.000 1.391 349 Y CB -0.160 38.445 38.460 0.242 0.000 1.306 349 Y HN -0.117 nan 8.280 nan 0.000 0.558 350 G N -0.203 108.694 108.800 0.161 0.000 2.634 350 G HA2 0.283 4.327 3.960 0.139 0.000 0.255 350 G HA3 0.283 4.327 3.960 0.139 0.000 0.255 350 G C -0.568 174.565 174.900 0.387 0.000 1.205 350 G CA -0.579 44.640 45.100 0.198 0.000 0.884 350 G HN 0.812 nan 8.290 nan 0.000 0.549 351 Q N -1.666 118.262 119.800 0.213 0.000 2.475 351 Q HA -0.196 4.228 4.340 0.139 0.000 0.280 351 Q C 0.477 176.383 176.000 -0.156 0.000 1.234 351 Q CA 0.886 56.693 55.803 0.007 0.000 0.873 351 Q CB -2.223 26.509 28.738 -0.009 0.000 1.256 351 Q HN 0.754 nan 8.270 nan 0.000 0.475 352 T N -2.269 112.264 114.554 -0.036 0.000 3.389 352 T HA 0.305 4.738 4.350 0.139 0.000 0.238 352 T C -0.035 174.588 174.700 -0.127 0.000 1.178 352 T CA -0.747 61.317 62.100 -0.060 0.000 1.117 352 T CB 0.180 69.056 68.868 0.013 0.000 1.177 352 T HN 0.027 nan 8.240 nan 0.000 0.653 353 D N 1.775 122.064 120.400 -0.184 0.000 2.406 353 D HA 0.357 5.080 4.640 0.139 0.000 0.234 353 D C 1.244 177.426 176.300 -0.198 0.000 1.196 353 D CA 0.334 54.222 54.000 -0.186 0.000 0.881 353 D CB 0.291 40.982 40.800 -0.180 0.000 1.205 353 D HN 0.509 nan 8.370 nan 0.000 0.453 354 G N -0.171 108.427 108.800 -0.338 0.000 2.588 354 G HA2 0.397 4.440 3.960 0.139 0.000 0.278 354 G HA3 0.397 4.440 3.960 0.139 0.000 0.278 354 G C 0.093 174.908 174.900 -0.143 0.000 1.307 354 G CA -0.741 44.061 45.100 -0.496 0.000 1.016 354 G HN 0.395 nan 8.290 nan 0.000 0.503 355 L N -0.157 121.103 121.223 0.061 0.000 2.476 355 L HA 0.188 4.612 4.340 0.139 0.000 0.264 355 L C 0.557 177.379 176.870 -0.080 0.000 1.224 355 L CA -0.351 54.536 54.840 0.080 0.000 0.821 355 L CB 0.283 42.411 42.059 0.116 0.000 1.101 355 L HN 0.356 nan 8.230 nan 0.000 0.488 356 E N 1.862 121.969 120.200 -0.156 0.000 2.301 356 E HA 0.310 4.743 4.350 0.139 0.000 0.275 356 E C -0.665 175.659 176.600 -0.460 0.000 1.030 356 E CA -0.088 56.085 56.400 -0.378 0.000 0.852 356 E CB 1.561 30.837 29.700 -0.706 0.000 1.060 356 E HN 0.423 nan 8.360 nan 0.000 0.401 357 M N 3.590 123.003 119.600 -0.313 0.000 2.158 357 M HA 0.222 4.785 4.480 0.139 0.000 0.326 357 M C -0.971 175.268 176.300 -0.101 0.000 1.014 357 M CA -0.607 54.590 55.300 -0.170 0.000 0.961 357 M CB 0.285 32.883 32.600 -0.005 0.000 1.327 357 M HN 0.331 nan 8.290 nan 0.000 0.393 358 Y N 1.744 121.961 120.300 -0.138 0.000 2.385 358 Y HA 0.185 4.818 4.550 0.138 0.000 0.346 358 Y C -1.836 173.955 175.900 -0.182 0.000 1.270 358 Y CA -1.775 56.074 58.100 -0.419 0.000 1.472 358 Y CB -0.419 37.736 38.460 -0.507 0.000 1.354 358 Y HN 0.422 nan 8.280 nan 0.000 0.611 359 P HA -0.009 nan 4.420 nan 0.000 0.261 359 P C 0.594 177.909 177.300 0.025 0.000 1.165 359 P CA 2.239 65.384 63.100 0.076 0.000 0.759 359 P CB 0.140 31.875 31.700 0.059 0.000 0.772 360 G N 1.580 110.401 108.800 0.034 0.000 2.179 360 G HA2 -0.253 3.790 3.960 0.139 0.000 0.260 360 G HA3 -0.253 3.790 3.960 0.139 0.000 0.260 360 G C 0.443 175.336 174.900 -0.011 0.000 0.977 360 G CA 0.191 45.292 45.100 0.003 0.000 0.641 360 G HN 0.605 nan 8.290 nan 0.000 0.533 361 T N 0.874 115.428 114.554 -0.001 0.000 2.946 361 T HA 0.425 4.858 4.350 0.139 0.000 0.311 361 T C 0.619 175.307 174.700 -0.021 0.000 1.063 361 T CA 0.655 62.737 62.100 -0.030 0.000 1.139 361 T CB 0.784 69.633 68.868 -0.031 0.000 0.994 361 T HN 0.346 nan 8.240 nan 0.000 0.547 362 I N 3.866 124.400 120.570 -0.059 0.000 2.439 362 I HA 0.450 4.703 4.170 0.139 0.000 0.283 362 I C -0.569 175.495 176.117 -0.088 0.000 1.023 362 I CA -0.585 60.684 61.300 -0.052 0.000 1.100 362 I CB 1.463 39.426 38.000 -0.061 0.000 1.238 362 I HN 0.366 nan 8.210 nan 0.000 0.445 363 L N 8.151 129.331 121.223 -0.071 0.000 2.385 363 L HA 0.602 5.025 4.340 0.139 0.000 0.273 363 L C -1.127 175.687 176.870 -0.093 0.000 0.990 363 L CA 0.028 54.803 54.840 -0.108 0.000 0.821 363 L CB 1.529 43.524 42.059 -0.107 0.000 1.279 363 L HN 0.716 nan 8.230 nan 0.000 0.412 364 Q N 3.077 122.813 119.800 -0.108 0.000 2.472 364 Q HA 0.333 4.756 4.340 0.139 0.000 0.281 364 Q C -1.590 174.350 176.000 -0.100 0.000 0.997 364 Q CA -0.861 54.886 55.803 -0.093 0.000 0.828 364 Q CB 1.843 30.540 28.738 -0.069 0.000 1.443 364 Q HN 0.690 nan 8.270 nan 0.000 0.390 365 D N -0.044 120.299 120.400 -0.094 0.000 2.828 365 D HA -0.103 4.620 4.640 0.139 0.000 0.241 365 D C -1.031 175.202 176.300 -0.111 0.000 1.142 365 D CA 0.654 54.603 54.000 -0.085 0.000 0.755 365 D CB -1.214 39.543 40.800 -0.071 0.000 1.014 365 D HN 0.362 nan 8.370 nan 0.000 0.420 366 V N 0.822 120.641 119.914 -0.158 0.000 2.823 366 V HA 0.671 4.874 4.120 0.139 0.000 0.312 366 V C -0.211 175.728 176.094 -0.258 0.000 1.072 366 V CA -1.009 61.131 62.300 -0.266 0.000 0.937 366 V CB 2.472 34.044 31.823 -0.418 0.000 1.013 366 V HN 0.220 nan 8.190 nan 0.000 0.430 367 F N 3.908 123.578 119.950 -0.467 0.000 2.467 367 F HA 0.745 5.355 4.527 0.138 0.000 0.336 367 F C -1.510 174.104 175.800 -0.310 0.000 1.123 367 F CA -0.581 57.239 58.000 -0.299 0.000 0.964 367 F CB 1.338 40.182 39.000 -0.261 0.000 1.136 367 F HN 0.395 nan 8.300 nan 0.000 0.447 368 Y N 4.957 124.770 120.300 -0.812 0.000 2.338 368 Y HA 0.307 4.942 4.550 0.141 0.000 0.333 368 Y C -0.899 174.677 175.900 -0.541 0.000 0.968 368 Y CA -0.957 56.845 58.100 -0.497 0.000 1.123 368 Y CB 1.034 39.324 38.460 -0.284 0.000 1.165 368 Y HN 0.617 nan 8.280 nan 0.000 0.452 369 H N 1.562 120.547 119.070 -0.140 0.000 2.551 369 H HA 0.641 5.281 4.556 0.140 0.000 0.321 369 H C -0.975 174.293 175.328 -0.100 0.000 1.028 369 H CA -0.224 55.768 56.048 -0.094 0.000 1.215 369 H CB 1.383 31.108 29.762 -0.061 0.000 1.414 369 H HN 0.613 nan 8.280 nan 0.000 0.480 370 T N 3.132 117.463 114.554 -0.372 0.000 2.923 370 T HA 0.167 4.600 4.350 0.139 0.000 0.311 370 T C -0.623 173.908 174.700 -0.282 0.000 1.183 370 T CA -0.737 61.167 62.100 -0.326 0.000 1.020 370 T CB 1.314 70.034 68.868 -0.247 0.000 1.165 370 T HN 0.688 nan 8.240 nan 0.000 0.482 371 D N 2.349 122.628 120.400 -0.201 0.000 2.559 371 D HA 0.351 5.074 4.640 0.139 0.000 0.234 371 D C -0.010 176.285 176.300 -0.010 0.000 1.226 371 D CA -0.031 53.914 54.000 -0.093 0.000 0.830 371 D CB 0.304 41.077 40.800 -0.045 0.000 1.028 371 D HN 0.518 nan 8.370 nan 0.000 0.492 372 D N -1.050 119.334 120.400 -0.028 0.000 3.145 372 D HA 0.031 4.754 4.640 0.139 0.000 0.345 372 D C -1.045 175.259 176.300 0.007 0.000 1.391 372 D CA -0.444 53.575 54.000 0.032 0.000 0.930 372 D CB 0.954 41.769 40.800 0.025 0.000 1.451 372 D HN -0.188 nan 8.370 nan 0.000 0.555 373 D N 0.226 120.659 120.400 0.056 0.000 2.662 373 D HA 0.131 4.854 4.640 0.139 0.000 0.237 373 D C 0.768 177.003 176.300 -0.108 0.000 1.154 373 D CA 0.557 54.582 54.000 0.042 0.000 0.861 373 D CB 0.994 41.883 40.800 0.148 0.000 1.146 373 D HN 0.440 nan 8.370 nan 0.000 0.518 374 G N 2.731 111.450 108.800 -0.134 0.000 2.655 374 G HA2 0.038 4.081 3.960 0.139 0.000 0.217 374 G HA3 0.038 4.081 3.960 0.139 0.000 0.217 374 G C 0.555 175.243 174.900 -0.353 0.000 1.279 374 G CA -0.265 44.659 45.100 -0.294 0.000 0.870 374 G HN 0.461 nan 8.290 nan 0.000 0.560 375 L N 1.749 122.846 121.223 -0.210 0.000 2.270 375 L HA 0.337 4.761 4.340 0.139 0.000 0.286 375 L C -0.546 176.276 176.870 -0.081 0.000 1.059 375 L CA -0.344 54.373 54.840 -0.206 0.000 0.839 375 L CB 1.349 43.236 42.059 -0.287 0.000 1.221 375 L HN 0.135 nan 8.230 nan 0.000 0.431 376 K N 4.626 124.898 120.400 -0.213 0.000 2.219 376 K HA 0.254 4.658 4.320 0.139 0.000 0.280 376 K C 0.018 176.424 176.600 -0.323 0.000 1.104 376 K CA -0.005 55.992 56.287 -0.484 0.000 0.925 376 K CB 0.932 32.898 32.500 -0.890 0.000 1.261 376 K HN 0.541 nan 8.250 nan 0.000 0.445 377 M N 4.492 124.142 119.600 0.084 0.000 3.213 377 M HA 0.084 4.647 4.480 0.139 0.000 0.275 377 M C -0.839 175.667 176.300 0.344 0.000 1.424 377 M CA -0.028 55.448 55.300 0.293 0.000 1.561 377 M CB 0.133 32.924 32.600 0.317 0.000 1.109 377 M HN 0.587 nan 8.290 nan 0.000 0.552 378 Y N 1.640 121.970 120.300 0.051 0.000 2.444 378 Y HA 0.283 4.914 4.550 0.136 0.000 0.249 378 Y C -0.697 174.841 175.900 -0.602 0.000 1.134 378 Y CA -0.561 57.381 58.100 -0.264 0.000 1.261 378 Y CB -0.099 38.110 38.460 -0.419 0.000 1.143 378 Y HN 0.388 nan 8.280 nan 0.000 0.523 379 Y N -1.319 119.127 120.300 0.243 0.000 2.545 379 Y HA 0.527 5.160 4.550 0.138 0.000 0.348 379 Y C 0.521 176.477 175.900 0.094 0.000 1.002 379 Y CA -1.696 56.503 58.100 0.166 0.000 1.039 379 Y CB 1.389 39.959 38.460 0.183 0.000 1.271 379 Y HN -0.378 nan 8.280 nan 0.000 0.467 380 S N 1.757 117.594 115.700 0.229 0.000 2.614 380 S HA 0.105 4.658 4.470 0.139 0.000 0.265 380 S C -0.087 174.566 174.600 0.087 0.000 1.303 380 S CA -0.540 57.723 58.200 0.104 0.000 1.000 380 S CB 0.015 63.258 63.200 0.071 0.000 0.935 380 S HN 0.803 nan 8.310 nan 0.000 0.551 381 N N -0.554 118.163 118.700 0.029 0.000 2.727 381 N HA -0.139 4.684 4.740 0.139 0.000 0.249 381 N C -1.064 174.469 175.510 0.039 0.000 1.048 381 N CA 0.364 53.424 53.050 0.017 0.000 0.714 381 N CB -1.619 36.876 38.487 0.014 0.000 0.959 381 N HN 0.280 nan 8.380 nan 0.000 0.544 382 V N 0.252 120.203 119.914 0.061 0.000 2.547 382 V HA 0.557 4.760 4.120 0.139 0.000 0.299 382 V C 0.628 176.803 176.094 0.134 0.000 1.040 382 V CA -0.236 62.132 62.300 0.112 0.000 0.913 382 V CB 2.324 34.265 31.823 0.197 0.000 0.992 382 V HN 0.219 nan 8.190 nan 0.000 0.449 383 T N 3.704 118.338 114.554 0.133 0.000 2.879 383 T HA 0.743 5.176 4.350 0.139 0.000 0.290 383 T C -0.509 174.278 174.700 0.145 0.000 0.993 383 T CA -0.354 61.836 62.100 0.149 0.000 0.975 383 T CB 1.560 70.469 68.868 0.068 0.000 0.981 383 T HN 0.943 nan 8.240 nan 0.000 0.439 384 A N 4.008 126.958 122.820 0.216 0.000 2.359 384 A HA 0.912 5.315 4.320 0.139 0.000 0.303 384 A C -0.316 177.296 177.584 0.048 0.000 1.066 384 A CA -1.047 51.020 52.037 0.050 0.000 0.730 384 A CB 1.221 20.129 19.000 -0.153 0.000 1.211 384 A HN 0.922 nan 8.150 nan 0.000 0.439 385 R N 1.250 121.739 120.500 -0.018 0.000 2.739 385 R HA 0.663 5.086 4.340 0.139 0.000 0.271 385 R C -0.816 175.445 176.300 -0.064 0.000 1.010 385 R CA -0.637 55.450 56.100 -0.021 0.000 0.897 385 R CB 0.759 31.065 30.300 0.010 0.000 1.236 385 R HN 0.731 nan 8.270 nan 0.000 0.466 386 N N 0.651 119.310 118.700 -0.068 0.000 2.648 386 N HA -0.168 4.655 4.740 0.139 0.000 0.265 386 N C -1.257 174.198 175.510 -0.091 0.000 1.100 386 N CA 0.529 53.538 53.050 -0.068 0.000 0.715 386 N CB -0.970 37.485 38.487 -0.053 0.000 0.881 386 N HN 0.453 nan 8.380 nan 0.000 0.548 387 I N 0.620 121.113 120.570 -0.129 0.000 2.509 387 I HA 0.460 4.713 4.170 0.139 0.000 0.293 387 I C 0.074 176.116 176.117 -0.125 0.000 1.020 387 I CA -1.096 60.117 61.300 -0.146 0.000 1.088 387 I CB 2.062 39.954 38.000 -0.181 0.000 1.267 387 I HN -0.136 nan 8.210 nan 0.000 0.430 388 V N 6.681 126.543 119.914 -0.086 0.000 2.417 388 V HA 0.480 4.683 4.120 0.139 0.000 0.291 388 V C -0.214 175.747 176.094 -0.222 0.000 1.024 388 V CA -0.481 61.790 62.300 -0.048 0.000 0.861 388 V CB 1.682 33.623 31.823 0.198 0.000 0.985 388 V HN 0.684 nan 8.190 nan 0.000 0.436 389 M N 5.514 125.006 119.600 -0.180 0.000 2.326 389 M HA 0.440 5.003 4.480 0.139 0.000 0.306 389 M C -1.864 174.400 176.300 -0.061 0.000 1.054 389 M CA -0.554 54.634 55.300 -0.186 0.000 0.922 389 M CB 1.947 34.490 32.600 -0.093 0.000 1.632 389 M HN 0.817 nan 8.290 nan 0.000 0.436 390 W N 6.527 127.705 121.300 -0.204 0.000 2.296 390 W HA 0.366 5.109 4.660 0.139 0.000 0.333 390 W C -0.868 175.660 176.519 0.014 0.000 0.931 390 W CA -0.826 56.550 57.345 0.052 0.000 1.538 390 W CB 0.666 30.279 29.460 0.255 0.000 1.417 390 W HN 0.599 nan 8.180 nan 0.000 0.380 391 K N 3.436 123.968 120.400 0.219 0.000 2.298 391 K HA 0.131 4.534 4.320 0.139 0.000 0.280 391 K C 0.482 177.150 176.600 0.113 0.000 1.032 391 K CA 0.537 56.866 56.287 0.070 0.000 0.958 391 K CB 1.157 33.637 32.500 -0.033 0.000 0.978 391 K HN 0.501 nan 8.250 nan 0.000 0.472 392 E N 1.279 121.471 120.200 -0.013 0.000 3.277 392 E HA 0.148 4.581 4.350 0.139 0.000 0.426 392 E C 0.272 176.785 176.600 -0.145 0.000 0.326 392 E CA 0.103 56.513 56.400 0.016 0.000 2.454 392 E CB 0.187 29.872 29.700 -0.025 0.000 2.219 392 E HN 0.631 nan 8.360 nan 0.000 0.459 393 S N -0.206 115.454 115.700 -0.067 0.000 2.603 393 S HA 0.234 4.787 4.470 0.139 0.000 0.232 393 S C -0.293 174.343 174.600 0.061 0.000 1.016 393 S CA -0.274 57.885 58.200 -0.069 0.000 0.976 393 S CB 1.066 64.339 63.200 0.122 0.000 0.921 393 S HN 0.016 nan 8.310 nan 0.000 0.516 394 V N 1.399 121.363 119.914 0.083 0.000 2.876 394 V HA 0.861 5.064 4.120 0.139 0.000 0.312 394 V C -0.125 176.131 176.094 0.270 0.000 1.085 394 V CA -0.514 61.926 62.300 0.234 0.000 0.945 394 V CB 1.143 33.070 31.823 0.174 0.000 1.017 394 V HN 0.468 nan 8.190 nan 0.000 0.428 395 A N 4.720 127.723 122.820 0.306 0.000 2.454 395 A HA -0.005 4.398 4.320 0.139 0.000 0.685 395 A C -2.723 174.999 177.584 0.229 0.000 0.152 395 A CA -0.070 52.100 52.037 0.222 0.000 0.038 395 A CB -1.740 17.376 19.000 0.193 0.000 3.970 395 A HN 0.704 nan 8.150 nan 0.000 0.548 396 P HA 0.346 nan 4.420 nan 0.000 0.274 396 P C 1.075 178.408 177.300 0.055 0.000 1.256 396 P CA 0.272 63.393 63.100 0.034 0.000 0.795 396 P CB 0.635 32.300 31.700 -0.058 0.000 1.038 397 V N 0.633 120.550 119.914 0.006 0.000 2.323 397 V HA -0.093 4.110 4.120 0.139 0.000 0.244 397 V C 1.228 177.310 176.094 -0.020 0.000 1.041 397 V CA 1.550 63.839 62.300 -0.019 0.000 1.025 397 V CB -0.241 31.549 31.823 -0.056 0.000 0.656 397 V HN 0.302 nan 8.190 nan 0.000 0.451 398 V N 0.611 120.511 119.914 -0.024 0.000 2.459 398 V HA 0.524 4.727 4.120 0.139 0.000 0.295 398 V C -0.580 175.603 176.094 0.149 0.000 1.029 398 V CA -0.551 61.804 62.300 0.091 0.000 0.874 398 V CB 1.756 33.618 31.823 0.065 0.000 0.985 398 V HN 0.498 nan 8.190 nan 0.000 0.438 399 E N 4.038 124.375 120.200 0.229 0.000 2.199 399 E HA 0.611 5.044 4.350 0.139 0.000 0.265 399 E C -0.763 176.151 176.600 0.523 0.000 0.882 399 E CA -0.541 56.024 56.400 0.274 0.000 0.759 399 E CB 1.361 31.204 29.700 0.240 0.000 1.148 399 E HN 0.539 nan 8.360 nan 0.000 0.412 400 F N 2.407 122.488 119.950 0.219 0.000 2.739 400 F HA 0.662 5.273 4.527 0.140 0.000 0.366 400 F C 0.177 176.037 175.800 0.100 0.000 1.279 400 F CA -0.537 57.622 58.000 0.266 0.000 1.151 400 F CB 0.128 39.264 39.000 0.226 0.000 1.132 400 F HN 0.421 nan 8.300 nan 0.000 0.511 401 G N -0.235 108.474 108.800 -0.153 0.000 2.849 401 G HA2 0.417 4.460 3.960 0.139 0.000 0.174 401 G HA3 0.417 4.460 3.960 0.139 0.000 0.174 401 G C -0.038 174.833 174.900 -0.049 0.000 1.370 401 G CA -0.013 44.905 45.100 -0.303 0.000 1.040 401 G HN 0.518 nan 8.290 nan 0.000 0.582 402 W N -1.604 119.687 121.300 -0.016 0.000 0.688 402 W HA -0.268 4.472 4.660 0.133 0.000 0.217 402 W C 0.481 177.075 176.519 0.124 0.000 0.919 402 W CA 1.334 58.719 57.345 0.065 0.000 0.341 402 W CB -1.198 28.240 29.460 -0.036 0.000 1.913 402 W HN 0.688 nan 8.180 nan 0.000 1.347 403 T N 0.418 115.113 114.554 0.234 0.000 2.993 403 T HA 0.301 4.734 4.350 0.139 0.000 0.312 403 T C -2.619 172.110 174.700 0.047 0.000 1.115 403 T CA -1.048 61.152 62.100 0.167 0.000 1.027 403 T CB 2.899 71.853 68.868 0.144 0.000 1.116 403 T HN -0.262 nan 8.240 nan 0.000 0.464 404 P HA 0.368 nan 4.420 nan 0.000 0.271 404 P C -0.762 176.548 177.300 0.016 0.000 1.216 404 P CA -0.370 62.740 63.100 0.016 0.000 0.776 404 P CB 0.922 32.644 31.700 0.037 0.000 0.881 405 R N 1.543 122.048 120.500 0.009 0.000 2.799 405 R HA 0.432 4.855 4.340 0.139 0.000 0.270 405 R C -0.496 175.810 176.300 0.009 0.000 1.010 405 R CA -0.930 55.172 56.100 0.003 0.000 0.916 405 R CB 1.373 31.657 30.300 -0.026 0.000 1.228 405 R HN 0.356 nan 8.270 nan 0.000 0.469 406 N N 0.996 119.702 118.700 0.011 0.000 2.457 406 N HA 0.313 5.136 4.740 0.139 0.000 0.250 406 N C -1.326 174.188 175.510 0.007 0.000 0.982 406 N CA 0.084 53.138 53.050 0.007 0.000 0.941 406 N CB 1.883 40.380 38.487 0.016 0.000 1.120 406 N HN 0.424 nan 8.380 nan 0.000 0.505 407 T N 1.277 115.824 114.554 -0.012 0.000 2.921 407 T HA 0.430 4.863 4.350 0.139 0.000 0.297 407 T C -0.479 174.183 174.700 -0.063 0.000 1.013 407 T CA -0.816 61.273 62.100 -0.018 0.000 0.990 407 T CB 1.938 70.796 68.868 -0.016 0.000 1.023 407 T HN 0.550 nan 8.240 nan 0.000 0.447 408 E N 1.868 122.033 120.200 -0.058 0.000 2.413 408 E HA 0.572 5.005 4.350 0.139 0.000 0.277 408 E C -1.192 175.346 176.600 -0.102 0.000 0.958 408 E CA -1.218 55.122 56.400 -0.100 0.000 0.779 408 E CB 1.044 30.697 29.700 -0.078 0.000 1.278 408 E HN 0.386 nan 8.360 nan 0.000 0.456 409 N N -0.357 118.256 118.700 -0.145 0.000 2.610 409 N HA -0.114 4.709 4.740 0.139 0.000 0.271 409 N C -1.307 174.120 175.510 -0.138 0.000 1.146 409 N CA 0.808 53.777 53.050 -0.136 0.000 0.711 409 N CB -1.295 37.142 38.487 -0.084 0.000 0.883 409 N HN 0.387 nan 8.380 nan 0.000 0.548 410 V N 0.845 120.622 119.914 -0.228 0.000 2.680 410 V HA 0.675 4.878 4.120 0.139 0.000 0.309 410 V C 0.039 175.957 176.094 -0.292 0.000 1.052 410 V CA -0.923 61.228 62.300 -0.249 0.000 0.908 410 V CB 2.299 33.889 31.823 -0.387 0.000 1.001 410 V HN 0.362 nan 8.190 nan 0.000 0.431 411 L N 5.081 126.229 121.223 -0.125 0.000 2.441 411 L HA 0.710 5.134 4.340 0.139 0.000 0.270 411 L C -1.739 175.329 176.870 0.331 0.000 0.973 411 L CA 0.021 54.855 54.840 -0.008 0.000 0.842 411 L CB 1.383 43.452 42.059 0.017 0.000 1.239 411 L HN 0.397 nan 8.230 nan 0.000 0.406 412 F N 3.129 123.226 119.950 0.244 0.000 2.402 412 F HA 0.552 5.162 4.527 0.138 0.000 0.355 412 F C -0.027 175.995 175.800 0.371 0.000 1.123 412 F CA -1.163 57.051 58.000 0.356 0.000 1.021 412 F CB 1.499 40.886 39.000 0.646 0.000 1.160 412 F HN 0.520 nan 8.300 nan 0.000 0.451 413 D N 1.774 122.384 120.400 0.350 0.000 2.738 413 D HA 0.257 4.980 4.640 0.139 0.000 0.237 413 D C -0.348 175.979 176.300 0.046 0.000 1.123 413 D CA -0.279 53.852 54.000 0.218 0.000 0.856 413 D CB 1.220 42.109 40.800 0.148 0.000 1.552 413 D HN 0.622 nan 8.370 nan 0.000 0.480 414 N N 2.403 121.111 118.700 0.013 0.000 2.648 414 N HA -0.154 4.670 4.740 0.139 0.000 0.265 414 N C -1.538 173.843 175.510 -0.214 0.000 1.100 414 N CA -0.028 52.981 53.050 -0.069 0.000 0.715 414 N CB -0.409 38.063 38.487 -0.026 0.000 0.881 414 N HN 0.126 nan 8.380 nan 0.000 0.548 415 V N 1.838 121.473 119.914 -0.466 0.000 2.378 415 V HA 0.306 4.509 4.120 0.139 0.000 0.288 415 V C -0.054 175.776 176.094 -0.441 0.000 1.016 415 V CA -0.546 61.377 62.300 -0.628 0.000 0.840 415 V CB 1.617 32.631 31.823 -1.348 0.000 0.994 415 V HN 0.321 nan 8.190 nan 0.000 0.431 416 D N 4.192 124.445 120.400 -0.246 0.000 2.414 416 D HA 0.308 5.031 4.640 0.139 0.000 0.232 416 D C -0.533 175.679 176.300 -0.146 0.000 1.070 416 D CA -0.258 53.648 54.000 -0.156 0.000 0.839 416 D CB 2.012 42.754 40.800 -0.097 0.000 1.079 416 D HN 0.276 nan 8.370 nan 0.000 0.521 417 V N 6.994 126.827 119.914 -0.135 0.000 2.338 417 V HA 0.081 4.284 4.120 0.139 0.000 0.255 417 V C 1.905 177.893 176.094 -0.178 0.000 1.082 417 V CA -0.326 61.900 62.300 -0.122 0.000 0.951 417 V CB 0.150 31.929 31.823 -0.075 0.000 1.102 417 V HN 0.554 nan 8.190 nan 0.000 0.489 418 I N 0.420 120.849 120.570 -0.235 0.000 2.830 418 I HA 0.119 4.373 4.170 0.139 0.000 0.263 418 I C 0.644 176.250 176.117 -0.853 0.000 1.230 418 I CA 1.253 62.281 61.300 -0.455 0.000 1.480 418 I CB -0.091 37.672 38.000 -0.395 0.000 1.095 418 I HN 0.511 nan 8.210 nan 0.000 0.455 419 H N 0.828 119.661 119.070 -0.396 0.000 3.046 419 H HA 0.590 5.230 4.556 0.139 0.000 0.361 419 H C -1.271 173.929 175.328 -0.214 0.000 1.235 419 H CA -0.659 55.123 56.048 -0.442 0.000 1.146 419 H CB 1.729 30.880 29.762 -1.018 0.000 1.859 419 H HN 0.190 nan 8.280 nan 0.000 0.548 420 Q N 0.347 120.161 119.800 0.024 0.000 2.340 420 Q HA 0.679 5.102 4.340 0.139 0.000 0.276 420 Q C -1.129 174.865 176.000 -0.010 0.000 1.048 420 Q CA -0.866 54.920 55.803 -0.028 0.000 0.832 420 Q CB 3.257 32.034 28.738 0.065 0.000 1.373 420 Q HN 0.705 nan 8.270 nan 0.000 0.409 421 A N 1.925 124.671 122.820 -0.122 0.000 3.234 421 A HA 0.398 4.801 4.320 0.139 0.000 0.247 421 A C -1.318 176.293 177.584 0.045 0.000 0.938 421 A CA -0.327 51.718 52.037 0.014 0.000 1.039 421 A CB 0.114 19.152 19.000 0.062 0.000 1.197 421 A HN 0.597 nan 8.150 nan 0.000 0.498 422 Y N -0.756 119.633 120.300 0.149 0.000 2.385 422 Y HA 0.336 4.967 4.550 0.135 0.000 0.346 422 Y C 1.506 177.491 175.900 0.141 0.000 1.270 422 Y CA 1.114 59.294 58.100 0.134 0.000 1.472 422 Y CB 0.878 39.395 38.460 0.095 0.000 1.354 422 Y HN 0.394 nan 8.280 nan 0.000 0.611 423 A N 0.621 123.627 122.820 0.310 0.000 2.048 423 A HA 0.226 4.629 4.320 0.139 0.000 0.197 423 A C 0.122 177.802 177.584 0.160 0.000 1.486 423 A CA 0.360 52.522 52.037 0.209 0.000 1.029 423 A CB 0.104 19.206 19.000 0.171 0.000 1.101 423 A HN 0.810 nan 8.150 nan 0.000 0.470 424 N N -2.734 116.060 118.700 0.157 0.000 3.116 424 N HA 0.380 5.203 4.740 0.139 0.000 0.244 424 N C 0.686 176.251 175.510 0.093 0.000 1.485 424 N CA -0.026 53.090 53.050 0.110 0.000 0.884 424 N CB 1.024 39.570 38.487 0.098 0.000 1.415 424 N HN 0.074 nan 8.380 nan 0.000 0.524 425 A N 0.130 122.998 122.820 0.081 0.000 1.972 425 A HA 0.035 4.438 4.320 0.139 0.000 0.219 425 A C 1.960 179.607 177.584 0.105 0.000 1.169 425 A CA 2.122 54.213 52.037 0.089 0.000 0.635 425 A CB -1.373 17.694 19.000 0.111 0.000 0.810 425 A HN 0.805 nan 8.150 nan 0.000 0.446 426 G N -0.267 108.598 108.800 0.108 0.000 2.498 426 G HA2 -0.193 3.851 3.960 0.139 0.000 0.219 426 G HA3 -0.193 3.851 3.960 0.139 0.000 0.219 426 G C 1.100 176.082 174.900 0.136 0.000 1.119 426 G CA 0.769 45.941 45.100 0.120 0.000 0.766 426 G HN 0.555 nan 8.290 nan 0.000 0.552 427 N N 1.348 120.132 118.700 0.140 0.000 2.521 427 N HA -0.036 4.787 4.740 0.139 0.000 0.188 427 N C 0.281 175.877 175.510 0.143 0.000 1.146 427 N CA 0.169 53.330 53.050 0.185 0.000 0.893 427 N CB -0.122 38.538 38.487 0.289 0.000 0.975 427 N HN 0.169 nan 8.380 nan 0.000 0.451 428 N N 0.495 119.238 118.700 0.071 0.000 2.696 428 N HA -0.113 4.710 4.740 0.139 0.000 0.256 428 N C -2.601 172.828 175.510 -0.134 0.000 1.031 428 N CA 0.482 53.534 53.050 0.002 0.000 0.730 428 N CB -0.731 37.766 38.487 0.018 0.000 0.894 428 N HN 0.343 nan 8.380 nan 0.000 0.544 429 P HA 0.469 nan 4.420 nan 0.000 0.274 429 P C 0.566 177.509 177.300 -0.594 0.000 1.256 429 P CA 0.495 63.049 63.100 -0.911 0.000 0.795 429 P CB 1.232 32.245 31.700 -1.145 0.000 1.038 430 G N -0.356 108.100 108.800 -0.573 0.000 2.379 430 G HA2 -0.019 4.024 3.960 0.139 0.000 0.609 430 G HA3 -0.019 4.024 3.960 0.139 0.000 0.609 430 G C 0.295 175.054 174.900 -0.234 0.000 1.484 430 G CA -0.591 44.308 45.100 -0.336 0.000 0.921 430 G HN 0.332 nan 8.290 nan 0.000 0.658 431 I N -0.067 120.331 120.570 -0.286 0.000 2.193 431 I HA 0.128 4.381 4.170 0.139 0.000 0.240 431 I C 0.771 176.465 176.117 -0.705 0.000 1.084 431 I CA 1.070 62.066 61.300 -0.506 0.000 1.365 431 I CB -0.078 37.477 38.000 -0.742 0.000 1.064 431 I HN 0.313 nan 8.210 nan 0.000 0.410 432 F N 1.048 120.861 119.950 -0.229 0.000 2.332 432 F HA 0.552 5.163 4.527 0.139 0.000 0.368 432 F C 0.554 176.281 175.800 -0.122 0.000 1.110 432 F CA -0.698 57.102 58.000 -0.334 0.000 1.087 432 F CB 1.186 39.868 39.000 -0.530 0.000 1.235 432 F HN -0.148 nan 8.300 nan 0.000 0.470 433 G N 1.376 110.194 108.800 0.031 0.000 2.533 433 G HA2 0.764 4.807 3.960 0.139 0.000 0.304 433 G HA3 0.764 4.807 3.960 0.139 0.000 0.304 433 G C -1.754 172.960 174.900 -0.311 0.000 1.263 433 G CA -1.157 43.864 45.100 -0.132 0.000 0.964 433 G HN 0.746 nan 8.290 nan 0.000 0.479 434 A N 0.824 123.338 122.820 -0.510 0.000 2.679 434 A HA 0.615 5.018 4.320 0.139 0.000 0.288 434 A C 0.156 177.472 177.584 -0.447 0.000 1.160 434 A CA -0.242 51.356 52.037 -0.732 0.000 0.763 434 A CB 0.453 18.666 19.000 -1.311 0.000 1.270 434 A HN 2.011 nan 8.150 nan 0.000 0.417 435 V N 0.676 120.298 119.914 -0.487 0.000 3.546 435 V HA 0.375 4.578 4.120 0.139 0.000 0.296 435 V C 0.953 176.858 176.094 -0.314 0.000 1.082 435 V CA -0.755 61.293 62.300 -0.420 0.000 1.086 435 V CB 0.311 31.659 31.823 -0.792 0.000 1.174 435 V HN 0.809 nan 8.190 nan 0.000 0.464 436 N N 0.636 119.278 118.700 -0.096 0.000 2.263 436 N HA -0.019 4.805 4.740 0.139 0.000 0.239 436 N C -0.024 175.611 175.510 0.209 0.000 1.317 436 N CA 0.170 53.325 53.050 0.175 0.000 0.909 436 N CB 0.027 38.710 38.487 0.327 0.000 1.171 436 N HN 0.955 nan 8.380 nan 0.000 0.492 437 N N 0.481 119.416 118.700 0.391 0.000 2.420 437 N HA -0.074 4.749 4.740 0.139 0.000 0.262 437 N C 1.117 176.885 175.510 0.430 0.000 1.144 437 N CA -0.308 52.988 53.050 0.410 0.000 0.952 437 N CB 0.294 39.079 38.487 0.497 0.000 1.081 437 N HN 0.502 nan 8.380 nan 0.000 0.480 438 Y N 4.021 124.583 120.300 0.438 0.000 2.256 438 Y HA -0.154 4.478 4.550 0.135 0.000 0.288 438 Y C 1.126 177.088 175.900 0.103 0.000 1.155 438 Y CA 1.009 59.322 58.100 0.355 0.000 1.203 438 Y CB -0.142 38.422 38.460 0.174 0.000 0.980 438 Y HN 0.544 nan 8.280 nan 0.000 0.530 439 L N -0.984 119.741 121.223 -0.829 0.000 2.201 439 L HA -0.168 4.255 4.340 0.139 0.000 0.212 439 L C 1.288 177.713 176.870 -0.742 0.000 1.105 439 L CA 1.481 55.722 54.840 -0.998 0.000 0.775 439 L CB -0.423 40.928 42.059 -1.180 0.000 0.913 439 L HN 0.334 nan 8.230 nan 0.000 0.440 440 Y N -1.561 118.727 120.300 -0.020 0.000 2.426 440 Y HA 0.444 5.077 4.550 0.139 0.000 0.249 440 Y C 0.878 176.834 175.900 0.094 0.000 1.103 440 Y CA -0.072 58.050 58.100 0.038 0.000 1.256 440 Y CB 0.564 39.052 38.460 0.048 0.000 1.208 440 Y HN -0.036 nan 8.280 nan 0.000 0.519 441 A N 1.073 124.056 122.820 0.271 0.000 3.156 441 A HA 0.357 4.760 4.320 0.139 0.000 0.311 441 A C -2.109 175.696 177.584 0.369 0.000 1.129 441 A CA -1.048 51.157 52.037 0.280 0.000 0.809 441 A CB 0.301 19.471 19.000 0.283 0.000 1.257 441 A HN -0.050 nan 8.150 nan 0.000 0.491 442 P HA -0.205 nan 4.420 nan 0.000 0.218 442 P C 0.527 178.086 177.300 0.431 0.000 1.146 442 P CA 1.822 65.126 63.100 0.340 0.000 0.813 442 P CB 0.149 31.975 31.700 0.211 0.000 0.778 443 D N -1.516 119.113 120.400 0.382 0.000 2.339 443 D HA 0.082 4.805 4.640 0.139 0.000 0.217 443 D C 1.494 178.042 176.300 0.413 0.000 1.050 443 D CA 0.460 54.690 54.000 0.382 0.000 0.856 443 D CB -0.836 40.116 40.800 0.253 0.000 0.922 443 D HN 0.256 nan 8.370 nan 0.000 0.518 444 G N -0.007 109.058 108.800 0.442 0.000 2.212 444 G HA2 -0.267 3.776 3.960 0.139 0.000 0.266 444 G HA3 -0.267 3.776 3.960 0.139 0.000 0.266 444 G C -0.165 174.782 174.900 0.080 0.000 0.978 444 G CA 0.520 45.663 45.100 0.072 0.000 0.632 444 G HN 0.537 nan 8.290 nan 0.000 0.537 445 L N 0.958 122.275 121.223 0.156 0.000 2.356 445 L HA 0.871 5.294 4.340 0.139 0.000 0.277 445 L C -0.328 176.618 176.870 0.126 0.000 0.996 445 L CA -0.160 54.768 54.840 0.145 0.000 0.822 445 L CB 2.234 44.375 42.059 0.136 0.000 1.256 445 L HN 0.643 nan 8.230 nan 0.000 0.413 446 S N 1.510 117.277 115.700 0.111 0.000 2.542 446 S HA 0.330 4.883 4.470 0.139 0.000 0.276 446 S C 0.566 175.104 174.600 -0.102 0.000 1.148 446 S CA 0.033 58.249 58.200 0.028 0.000 0.886 446 S CB 1.180 64.415 63.200 0.059 0.000 1.109 446 S HN 0.876 nan 8.310 nan 0.000 0.458 447 S N 2.731 118.293 115.700 -0.231 0.000 2.515 447 S HA 0.005 4.559 4.470 0.139 0.000 0.231 447 S C 0.667 174.740 174.600 -0.879 0.000 0.987 447 S CA 0.280 58.182 58.200 -0.496 0.000 0.936 447 S CB -0.496 62.520 63.200 -0.307 0.000 0.766 447 S HN 0.668 nan 8.310 nan 0.000 0.528 448 N N 2.211 120.573 118.700 -0.563 0.000 2.405 448 N HA -0.007 4.816 4.740 0.139 0.000 0.260 448 N C -0.801 174.263 175.510 -0.744 0.000 1.152 448 N CA 0.063 52.792 53.050 -0.535 0.000 0.948 448 N CB 0.131 38.449 38.487 -0.282 0.000 1.111 448 N HN 0.338 nan 8.380 nan 0.000 0.485 449 H N 1.617 120.217 119.070 -0.784 0.000 2.481 449 H HA 0.263 4.901 4.556 0.138 0.000 0.273 449 H C -0.139 174.465 175.328 -1.207 0.000 1.145 449 H CA -0.357 54.616 56.048 -1.791 0.000 0.964 449 H CB 0.131 28.908 29.762 -1.642 0.000 1.722 449 H HN 0.351 nan 8.280 nan 0.000 0.573 450 S N 0.324 115.697 115.700 -0.544 0.000 2.661 450 S HA 0.049 4.602 4.470 0.139 0.000 0.245 450 S C 1.114 175.682 174.600 -0.053 0.000 1.117 450 S CA -0.207 57.905 58.200 -0.146 0.000 1.091 450 S CB 0.302 63.425 63.200 -0.128 0.000 0.887 450 S HN 0.521 nan 8.310 nan 0.000 0.491 451 T N -1.597 113.009 114.554 0.086 0.000 3.339 451 T HA 0.432 4.865 4.350 0.139 0.000 0.292 451 T C 0.766 175.714 174.700 0.413 0.000 1.012 451 T CA -0.321 61.874 62.100 0.158 0.000 0.937 451 T CB 0.466 69.346 68.868 0.019 0.000 1.164 451 T HN 0.242 nan 8.240 nan 0.000 0.509 452 G N 1.003 110.111 108.800 0.513 0.000 2.543 452 G HA2 0.476 4.519 3.960 0.139 0.000 0.290 452 G HA3 0.476 4.519 3.960 0.139 0.000 0.290 452 G C -0.704 174.325 174.900 0.214 0.000 1.310 452 G CA -0.726 44.601 45.100 0.378 0.000 1.025 452 G HN 0.364 nan 8.290 nan 0.000 0.502 453 N N -0.826 117.955 118.700 0.136 0.000 2.540 453 N HA 0.132 4.956 4.740 0.139 0.000 0.275 453 N C 1.000 176.556 175.510 0.076 0.000 1.053 453 N CA -0.156 52.955 53.050 0.101 0.000 0.876 453 N CB 1.807 40.343 38.487 0.081 0.000 1.284 453 N HN 0.332 nan 8.380 nan 0.000 0.518 454 S N 2.220 117.970 115.700 0.082 0.000 2.603 454 S HA 0.032 4.585 4.470 0.139 0.000 0.229 454 S C 0.691 175.317 174.600 0.044 0.000 0.972 454 S CA 0.311 58.549 58.200 0.065 0.000 0.935 454 S CB -0.037 63.210 63.200 0.077 0.000 0.769 454 S HN 0.498 nan 8.310 nan 0.000 0.536 455 N N 0.668 119.394 118.700 0.044 0.000 2.280 455 N HA 0.313 5.136 4.740 0.139 0.000 0.192 455 N C -0.092 175.433 175.510 0.024 0.000 1.109 455 N CA 0.304 53.373 53.050 0.033 0.000 0.855 455 N CB 0.196 38.705 38.487 0.036 0.000 0.974 455 N HN 0.497 nan 8.380 nan 0.000 0.482 456 M N -0.021 119.593 119.600 0.022 0.000 2.598 456 M HA 0.356 4.919 4.480 0.139 0.000 0.317 456 M C -0.648 175.650 176.300 -0.002 0.000 1.179 456 M CA -0.225 55.083 55.300 0.013 0.000 0.936 456 M CB 2.378 34.990 32.600 0.019 0.000 1.713 456 M HN -0.265 nan 8.290 nan 0.000 0.460 457 T N 1.014 115.561 114.554 -0.012 0.000 2.993 457 T HA 0.441 4.874 4.350 0.139 0.000 0.312 457 T C -1.053 173.622 174.700 -0.042 0.000 1.115 457 T CA -0.595 61.486 62.100 -0.031 0.000 1.027 457 T CB 2.070 70.914 68.868 -0.040 0.000 1.116 457 T HN 0.362 nan 8.240 nan 0.000 0.464 458 V N 3.659 123.540 119.914 -0.056 0.000 2.350 458 V HA 0.621 4.824 4.120 0.139 0.000 0.276 458 V C 0.262 176.265 176.094 -0.152 0.000 1.028 458 V CA -0.476 61.769 62.300 -0.090 0.000 0.860 458 V CB 1.060 32.844 31.823 -0.064 0.000 0.990 458 V HN 0.711 nan 8.190 nan 0.000 0.453 459 R N 4.475 124.873 120.500 -0.170 0.000 2.795 459 R HA 0.452 4.875 4.340 0.139 0.000 0.275 459 R C -0.069 176.087 176.300 -0.240 0.000 0.981 459 R CA -0.687 55.297 56.100 -0.193 0.000 0.917 459 R CB 1.042 31.261 30.300 -0.134 0.000 1.202 459 R HN 0.674 nan 8.270 nan 0.000 0.469 460 N N 2.445 120.983 118.700 -0.269 0.000 2.641 460 N HA -0.153 4.670 4.740 0.139 0.000 0.267 460 N C -1.583 173.698 175.510 -0.382 0.000 1.087 460 N CA 0.635 53.512 53.050 -0.288 0.000 0.731 460 N CB -0.513 37.852 38.487 -0.203 0.000 0.886 460 N HN 0.447 nan 8.380 nan 0.000 0.547 461 I N 1.131 121.369 120.570 -0.555 0.000 2.474 461 I HA 0.394 4.647 4.170 0.139 0.000 0.294 461 I C 0.442 176.013 176.117 -0.911 0.000 1.005 461 I CA -0.321 60.501 61.300 -0.796 0.000 1.113 461 I CB 1.729 39.063 38.000 -1.109 0.000 1.289 461 I HN 0.214 nan 8.210 nan 0.000 0.436 462 T N 5.616 119.684 114.554 -0.811 0.000 2.881 462 T HA 0.400 4.833 4.350 0.139 0.000 0.291 462 T C -1.136 173.279 174.700 -0.475 0.000 0.990 462 T CA -0.381 61.346 62.100 -0.621 0.000 0.976 462 T CB 1.027 69.705 68.868 -0.317 0.000 0.970 462 T HN 0.310 nan 8.240 nan 0.000 0.438 463 W N 3.874 124.960 121.300 -0.357 0.000 2.336 463 W HA 0.533 5.277 4.660 0.141 0.000 0.315 463 W C 0.243 176.722 176.519 -0.067 0.000 1.016 463 W CA -1.153 56.047 57.345 -0.241 0.000 1.318 463 W CB 0.604 29.565 29.460 -0.831 0.000 1.247 463 W HN 0.666 nan 8.180 nan 0.000 0.414 464 S N 1.807 117.758 115.700 0.419 0.000 2.536 464 S HA 0.419 4.972 4.470 0.139 0.000 0.298 464 S C 0.160 175.024 174.600 0.441 0.000 1.083 464 S CA -0.724 57.672 58.200 0.326 0.000 0.995 464 S CB 1.765 65.060 63.200 0.159 0.000 1.058 464 S HN 0.445 nan 8.310 nan 0.000 0.488 465 N N 0.137 119.029 118.700 0.321 0.000 2.714 465 N HA -0.145 4.678 4.740 0.139 0.000 0.253 465 N C -1.464 174.213 175.510 0.279 0.000 1.024 465 N CA 0.686 53.884 53.050 0.246 0.000 0.726 465 N CB -1.355 37.216 38.487 0.140 0.000 0.908 465 N HN 0.596 nan 8.380 nan 0.000 0.542 466 F N 0.735 120.769 119.950 0.138 0.000 2.397 466 F HA 0.466 5.076 4.527 0.137 0.000 0.331 466 F C 1.263 177.096 175.800 0.055 0.000 1.090 466 F CA -0.250 57.812 58.000 0.103 0.000 1.065 466 F CB 1.150 40.240 39.000 0.150 0.000 1.184 466 F HN -0.132 nan 8.300 nan 0.000 0.499 467 R N 1.722 122.289 120.500 0.111 0.000 2.621 467 R HA 0.755 5.178 4.340 0.139 0.000 0.284 467 R C -1.497 174.803 176.300 -0.000 0.000 0.998 467 R CA -1.137 54.995 56.100 0.052 0.000 0.895 467 R CB 2.055 32.355 30.300 -0.000 0.000 1.195 467 R HN 0.635 nan 8.270 nan 0.000 0.450 468 A N 2.949 125.765 122.820 -0.007 0.000 2.285 468 A HA 0.358 4.761 4.320 0.139 0.000 0.310 468 A C -0.439 177.096 177.584 -0.081 0.000 1.266 468 A CA -0.666 51.343 52.037 -0.046 0.000 0.832 468 A CB 0.662 19.646 19.000 -0.027 0.000 1.163 468 A HN 0.716 nan 8.150 nan 0.000 0.499 469 E N 1.311 121.430 120.200 -0.135 0.000 2.319 469 E HA 0.530 4.963 4.350 0.139 0.000 0.268 469 E C 0.931 177.435 176.600 -0.160 0.000 1.050 469 E CA 0.464 56.765 56.400 -0.166 0.000 0.878 469 E CB 1.193 30.747 29.700 -0.244 0.000 1.066 469 E HN 1.302 nan 8.360 nan 0.000 0.406 470 G N 1.765 110.495 108.800 -0.118 0.000 2.645 470 G HA2 -0.281 3.762 3.960 0.139 0.000 0.246 470 G HA3 -0.281 3.762 3.960 0.139 0.000 0.246 470 G C -0.145 174.738 174.900 -0.028 0.000 1.322 470 G CA -0.234 44.829 45.100 -0.061 0.000 0.898 470 G HN 0.757 nan 8.290 nan 0.000 0.573 471 S N -0.883 114.828 115.700 0.019 0.000 2.565 471 S HA 0.643 5.196 4.470 0.139 0.000 0.276 471 S C 0.249 174.899 174.600 0.084 0.000 1.326 471 S CA 0.805 59.038 58.200 0.056 0.000 1.045 471 S CB 1.711 64.966 63.200 0.091 0.000 0.918 471 S HN 2.053 nan 8.310 nan 0.000 0.505 472 S N 1.430 117.198 115.700 0.113 0.000 2.634 472 S HA 0.741 5.294 4.470 0.139 0.000 0.296 472 S C 0.069 174.841 174.600 0.287 0.000 1.104 472 S CA -0.484 57.812 58.200 0.160 0.000 0.920 472 S CB 1.283 64.514 63.200 0.052 0.000 1.111 472 S HN 1.143 nan 8.310 nan 0.000 0.493 473 S N 2.104 117.945 115.700 0.236 0.000 2.671 473 S HA 0.773 5.326 4.470 0.139 0.000 0.272 473 S C 0.568 175.250 174.600 0.137 0.000 1.174 473 S CA -0.331 57.930 58.200 0.102 0.000 1.004 473 S CB 0.149 63.224 63.200 -0.208 0.000 1.077 473 S HN 1.299 nan 8.310 nan 0.000 0.553 474 A N 0.074 122.866 122.820 -0.046 0.000 2.547 474 A HA 0.265 4.668 4.320 0.139 0.000 0.233 474 A C 1.128 178.684 177.584 -0.046 0.000 1.067 474 A CA -0.241 51.751 52.037 -0.074 0.000 0.763 474 A CB -0.495 18.312 19.000 -0.321 0.000 1.007 474 A HN 1.122 nan 8.150 nan 0.000 0.506 475 L N 1.309 122.536 121.223 0.006 0.000 2.046 475 L HA 0.113 4.536 4.340 0.139 0.000 0.208 475 L C 0.404 177.331 176.870 0.095 0.000 1.077 475 L CA 2.281 57.117 54.840 -0.006 0.000 0.747 475 L CB -0.573 41.444 42.059 -0.069 0.000 0.896 475 L HN 0.828 nan 8.230 nan 0.000 0.432 476 F N -2.260 117.644 119.950 -0.076 0.000 2.665 476 F HA 0.630 5.240 4.527 0.138 0.000 0.308 476 F C -0.612 174.949 175.800 -0.397 0.000 1.112 476 F CA -1.252 56.678 58.000 -0.116 0.000 0.972 476 F CB 0.919 39.983 39.000 0.107 0.000 1.295 476 F HN -0.347 nan 8.300 nan 0.000 0.440 477 R N 4.156 124.419 120.500 -0.394 0.000 2.607 477 R HA 0.526 4.949 4.340 0.139 0.000 0.278 477 R C -1.733 174.155 176.300 -0.686 0.000 1.637 477 R CA -0.431 54.931 56.100 -1.230 0.000 1.325 477 R CB 1.562 30.884 30.300 -1.631 0.000 1.211 477 R HN 0.738 nan 8.270 nan 0.000 0.565 478 I N 1.818 122.292 120.570 -0.160 0.000 2.362 478 I HA 0.262 4.515 4.170 0.139 0.000 0.289 478 I C -0.196 175.987 176.117 0.109 0.000 0.994 478 I CA -0.787 60.481 61.300 -0.053 0.000 1.158 478 I CB 1.646 39.648 38.000 0.003 0.000 1.315 478 I HN 0.245 nan 8.210 nan 0.000 0.451 479 N N 7.956 126.607 118.700 -0.082 0.000 2.426 479 N HA 0.280 5.103 4.740 0.139 0.000 0.257 479 N C -2.495 172.603 175.510 -0.686 0.000 1.002 479 N CA -1.400 51.477 53.050 -0.288 0.000 0.942 479 N CB 1.606 39.899 38.487 -0.324 0.000 1.112 479 N HN 0.202 nan 8.380 nan 0.000 0.499 480 P HA 0.160 nan 4.420 nan 0.000 0.252 480 P C 1.165 178.055 177.300 -0.682 0.000 1.727 480 P CA -0.149 62.663 63.100 -0.480 0.000 1.134 480 P CB -0.290 31.237 31.700 -0.289 0.000 1.876 481 I N -0.817 119.273 120.570 -0.800 0.000 3.176 481 I HA -0.040 4.213 4.170 0.139 0.000 0.275 481 I C 0.505 176.492 176.117 -0.217 0.000 1.298 481 I CA 0.606 61.486 61.300 -0.701 0.000 1.445 481 I CB -0.349 37.281 38.000 -0.616 0.000 1.075 481 I HN 0.171 nan 8.210 nan 0.000 0.482 482 Q N 1.191 120.894 119.800 -0.162 0.000 2.590 482 Q HA 0.341 4.764 4.340 0.139 0.000 0.295 482 Q C -1.524 174.436 176.000 -0.066 0.000 0.973 482 Q CA -0.829 54.941 55.803 -0.055 0.000 0.768 482 Q CB 0.690 29.414 28.738 -0.024 0.000 1.479 482 Q HN 0.161 nan 8.270 nan 0.000 0.419 483 N N 0.854 119.528 118.700 -0.042 0.000 2.395 483 N HA 0.237 5.060 4.740 0.139 0.000 0.246 483 N C -0.405 175.055 175.510 -0.083 0.000 1.246 483 N CA 0.357 53.367 53.050 -0.067 0.000 0.879 483 N CB 0.410 38.870 38.487 -0.044 0.000 1.098 483 N HN 0.432 nan 8.380 nan 0.000 0.444 484 L N 1.090 122.238 121.223 -0.125 0.000 2.341 484 L HA 0.400 4.824 4.340 0.139 0.000 0.278 484 L C -0.410 176.378 176.870 -0.136 0.000 1.005 484 L CA -0.790 53.977 54.840 -0.121 0.000 0.818 484 L CB 1.715 43.702 42.059 -0.120 0.000 1.259 484 L HN 0.445 nan 8.230 nan 0.000 0.418 485 D N 3.206 123.518 120.400 -0.147 0.000 2.936 485 D HA 0.186 4.910 4.640 0.139 0.000 0.238 485 D C -0.246 175.935 176.300 -0.197 0.000 1.248 485 D CA -0.281 53.630 54.000 -0.147 0.000 0.903 485 D CB 1.235 41.967 40.800 -0.114 0.000 1.544 485 D HN 0.577 nan 8.370 nan 0.000 0.543 486 N N 3.324 121.902 118.700 -0.204 0.000 2.699 486 N HA -0.167 4.656 4.740 0.139 0.000 0.257 486 N C -1.109 174.165 175.510 -0.394 0.000 1.077 486 N CA 0.147 53.043 53.050 -0.256 0.000 0.702 486 N CB -0.633 37.727 38.487 -0.211 0.000 0.886 486 N HN 0.452 nan 8.380 nan 0.000 0.549 487 I N 1.687 121.958 120.570 -0.497 0.000 2.362 487 I HA 0.235 4.488 4.170 0.139 0.000 0.289 487 I C -0.119 175.441 176.117 -0.929 0.000 0.994 487 I CA -0.527 60.290 61.300 -0.805 0.000 1.158 487 I CB 1.818 39.321 38.000 -0.828 0.000 1.315 487 I HN 0.116 nan 8.210 nan 0.000 0.451 488 S N 7.163 122.340 115.700 -0.872 0.000 2.478 488 S HA 0.589 5.142 4.470 0.139 0.000 0.312 488 S C -0.327 173.884 174.600 -0.648 0.000 1.094 488 S CA -0.508 57.281 58.200 -0.684 0.000 1.081 488 S CB 1.547 64.482 63.200 -0.441 0.000 1.007 488 S HN 0.368 nan 8.310 nan 0.000 0.475 489 I N 3.515 123.753 120.570 -0.554 0.000 2.312 489 I HA 0.349 4.602 4.170 0.139 0.000 0.290 489 I C -0.176 175.838 176.117 -0.172 0.000 1.008 489 I CA -0.289 60.792 61.300 -0.366 0.000 1.226 489 I CB 1.008 38.787 38.000 -0.369 0.000 1.371 489 I HN 0.346 nan 8.210 nan 0.000 0.468 490 K N 6.271 126.632 120.400 -0.065 0.000 2.559 490 K HA 0.372 4.775 4.320 0.139 0.000 0.249 490 K C -1.238 175.420 176.600 0.097 0.000 0.958 490 K CA -0.876 55.416 56.287 0.009 0.000 0.901 490 K CB 1.231 33.721 32.500 -0.017 0.000 1.124 490 K HN 0.538 nan 8.250 nan 0.000 0.437 491 N N 0.952 119.728 118.700 0.127 0.000 2.372 491 N HA -0.149 4.674 4.740 0.139 0.000 0.282 491 N C -1.480 174.166 175.510 0.227 0.000 1.425 491 N CA 0.296 53.446 53.050 0.167 0.000 0.663 491 N CB -0.473 38.097 38.487 0.139 0.000 0.903 491 N HN 0.374 nan 8.380 nan 0.000 0.495 492 V N 1.627 121.697 119.914 0.260 0.000 2.569 492 V HA 0.749 4.952 4.120 0.139 0.000 0.301 492 V C -0.511 175.777 176.094 0.323 0.000 1.044 492 V CA -0.192 62.280 62.300 0.287 0.000 0.874 492 V CB 1.868 33.827 31.823 0.228 0.000 1.002 492 V HN 0.670 nan 8.190 nan 0.000 0.424 493 S N 7.446 123.282 115.700 0.227 0.000 2.449 493 S HA 0.745 5.298 4.470 0.139 0.000 0.310 493 S C -0.734 173.929 174.600 0.105 0.000 1.096 493 S CA -0.662 57.638 58.200 0.167 0.000 1.095 493 S CB 1.365 64.618 63.200 0.089 0.000 1.007 493 S HN 0.648 nan 8.310 nan 0.000 0.474 494 I N 3.074 123.690 120.570 0.076 0.000 2.355 494 I HA 0.282 4.535 4.170 0.139 0.000 0.288 494 I C 1.438 177.473 176.117 -0.136 0.000 0.999 494 I CA -0.508 60.757 61.300 -0.060 0.000 1.163 494 I CB 1.656 39.558 38.000 -0.164 0.000 1.316 494 I HN 0.894 nan 8.210 nan 0.000 0.454 495 E N 4.472 124.604 120.200 -0.112 0.000 2.038 495 E HA -0.153 4.280 4.350 0.139 0.000 0.195 495 E C 0.345 176.868 176.600 -0.129 0.000 1.000 495 E CA 1.185 57.525 56.400 -0.101 0.000 0.803 495 E CB 0.390 30.041 29.700 -0.080 0.000 0.750 495 E HN 0.730 nan 8.360 nan 0.000 0.448 496 S N -2.039 113.568 115.700 -0.154 0.000 2.588 496 S HA 0.432 4.985 4.470 0.139 0.000 0.269 496 S C -0.881 173.637 174.600 -0.137 0.000 1.157 496 S CA -1.048 57.072 58.200 -0.133 0.000 0.824 496 S CB 0.690 63.875 63.200 -0.025 0.000 1.126 496 S HN 0.124 nan 8.310 nan 0.000 0.464 497 F N 1.318 121.294 119.950 0.043 0.000 2.432 497 F HA 0.482 5.091 4.527 0.138 0.000 0.329 497 F C 1.193 177.023 175.800 0.049 0.000 1.076 497 F CA -0.753 57.276 58.000 0.048 0.000 1.018 497 F CB 1.247 40.273 39.000 0.044 0.000 1.201 497 F HN 0.677 nan 8.300 nan 0.000 0.489 498 E N 2.928 123.318 120.200 0.316 0.000 2.410 498 E HA 0.086 4.519 4.350 0.139 0.000 0.255 498 E C -2.210 174.479 176.600 0.149 0.000 1.194 498 E CA -1.574 54.942 56.400 0.194 0.000 0.955 498 E CB 0.022 29.834 29.700 0.186 0.000 0.988 498 E HN 0.205 nan 8.360 nan 0.000 0.461 499 P HA -0.077 nan 4.420 nan 0.000 0.265 499 P C 0.388 177.716 177.300 0.047 0.000 1.193 499 P CA 0.453 63.599 63.100 0.077 0.000 0.765 499 P CB 0.588 32.331 31.700 0.071 0.000 0.823 500 L N 2.379 123.616 121.223 0.024 0.000 2.081 500 L HA -0.236 4.187 4.340 0.139 0.000 0.212 500 L C 2.844 179.717 176.870 0.005 0.000 1.080 500 L CA 2.132 56.966 54.840 -0.010 0.000 0.754 500 L CB -1.129 40.923 42.059 -0.012 0.000 0.893 500 L HN 0.449 nan 8.230 nan 0.000 0.433 501 S N 0.743 116.457 115.700 0.023 0.000 2.392 501 S HA -0.215 4.339 4.470 0.139 0.000 0.232 501 S C 1.832 176.454 174.600 0.036 0.000 1.041 501 S CA 1.791 60.008 58.200 0.029 0.000 1.026 501 S CB -0.461 62.761 63.200 0.036 0.000 0.845 501 S HN 0.554 nan 8.310 nan 0.000 0.465 502 I N -1.360 119.237 120.570 0.046 0.000 3.564 502 I HA 0.229 4.483 4.170 0.139 0.000 0.294 502 I C 0.532 176.678 176.117 0.049 0.000 1.289 502 I CA 0.435 61.770 61.300 0.058 0.000 1.325 502 I CB -0.691 37.359 38.000 0.083 0.000 1.039 502 I HN 0.214 nan 8.210 nan 0.000 0.474 503 N N 2.433 121.150 118.700 0.029 0.000 2.727 503 N HA -0.180 4.643 4.740 0.139 0.000 0.251 503 N C 0.638 176.156 175.510 0.013 0.000 1.040 503 N CA 1.275 54.340 53.050 0.024 0.000 0.712 503 N CB -1.135 37.379 38.487 0.045 0.000 0.912 503 N HN 0.796 nan 8.380 nan 0.000 0.545 504 T N -6.089 108.452 114.554 -0.022 0.000 3.016 504 T HA 0.147 4.580 4.350 0.139 0.000 0.271 504 T C 1.383 176.001 174.700 -0.136 0.000 0.968 504 T CA 0.753 62.805 62.100 -0.079 0.000 0.891 504 T CB 0.052 68.896 68.868 -0.041 0.000 1.149 504 T HN 0.264 nan 8.240 nan 0.000 0.524 505 T N -0.839 113.626 114.554 -0.149 0.000 3.014 505 T HA 0.298 4.732 4.350 0.139 0.000 0.250 505 T C 0.428 174.888 174.700 -0.401 0.000 1.060 505 T CA -0.230 61.698 62.100 -0.286 0.000 1.040 505 T CB -0.165 68.442 68.868 -0.435 0.000 0.971 505 T HN 0.393 nan 8.240 nan 0.000 0.497 506 E N 2.293 122.334 120.200 -0.266 0.000 2.290 506 E HA 0.408 4.841 4.350 0.139 0.000 0.277 506 E C -0.596 175.838 176.600 -0.276 0.000 1.035 506 E CA -0.336 55.930 56.400 -0.223 0.000 0.873 506 E CB 0.899 30.555 29.700 -0.074 0.000 1.029 506 E HN 0.229 nan 8.360 nan 0.000 0.419 507 S N 4.034 119.509 115.700 -0.375 0.000 2.586 507 S HA 0.450 5.003 4.470 0.139 0.000 0.274 507 S C -0.627 173.731 174.600 -0.403 0.000 1.281 507 S CA -0.725 57.057 58.200 -0.697 0.000 1.035 507 S CB 0.432 62.911 63.200 -1.201 0.000 0.962 507 S HN 0.488 nan 8.310 nan 0.000 0.512 508 W N 1.254 122.367 121.300 -0.312 0.000 3.075 508 W HA 0.684 5.424 4.660 0.135 0.000 0.334 508 W C -1.529 175.079 176.519 0.148 0.000 1.243 508 W CA -1.112 56.204 57.345 -0.048 0.000 1.170 508 W CB 1.626 31.069 29.460 -0.029 0.000 1.452 508 W HN 0.560 nan 8.180 nan 0.000 0.572 509 M N 4.266 124.248 119.600 0.636 0.000 2.291 509 M HA 0.179 4.742 4.480 0.139 0.000 0.202 509 M C -2.927 173.587 176.300 0.358 0.000 0.985 509 M CA -1.269 54.320 55.300 0.482 0.000 0.993 509 M CB 1.715 34.483 32.600 0.280 0.000 2.723 509 M HN 0.046 nan 8.290 nan 0.000 0.402 510 P HA 0.097 nan 4.420 nan 0.000 0.274 510 P C -0.391 177.005 177.300 0.161 0.000 1.231 510 P CA -0.196 62.921 63.100 0.027 0.000 0.790 510 P CB 1.561 33.063 31.700 -0.330 0.000 0.951 511 V N 3.280 123.148 119.914 -0.075 0.000 2.637 511 V HA 0.153 4.357 4.120 0.139 0.000 0.296 511 V C -0.771 175.279 176.094 -0.073 0.000 1.046 511 V CA 0.177 62.343 62.300 -0.224 0.000 1.066 511 V CB -0.599 30.944 31.823 -0.467 0.000 0.968 511 V HN 0.476 nan 8.190 nan 0.000 0.483 512 W N 4.984 126.134 121.300 -0.250 0.000 2.719 512 W HA 0.697 5.439 4.660 0.136 0.000 0.352 512 W C -1.057 175.132 176.519 -0.549 0.000 1.085 512 W CA -0.370 56.842 57.345 -0.222 0.000 1.187 512 W CB 1.723 31.154 29.460 -0.047 0.000 1.417 512 W HN 0.489 nan 8.180 nan 0.000 0.557 513 Y N 0.572 121.012 120.300 0.233 0.000 2.545 513 Y HA 0.183 4.816 4.550 0.138 0.000 0.348 513 Y C 0.171 176.172 175.900 0.168 0.000 1.002 513 Y CA -1.351 56.834 58.100 0.141 0.000 1.039 513 Y CB 1.301 39.772 38.460 0.018 0.000 1.271 513 Y HN 0.201 nan 8.280 nan 0.000 0.467 514 D N 1.937 122.505 120.400 0.279 0.000 2.425 514 D HA -0.037 4.686 4.640 0.139 0.000 0.247 514 D C 0.938 177.326 176.300 0.146 0.000 1.147 514 D CA 0.113 54.229 54.000 0.193 0.000 0.879 514 D CB 1.319 42.206 40.800 0.144 0.000 1.179 514 D HN 0.682 nan 8.370 nan 0.000 0.456 515 L N 5.199 126.498 121.223 0.126 0.000 2.043 515 L HA -0.224 4.199 4.340 0.139 0.000 0.212 515 L C 1.418 178.306 176.870 0.030 0.000 1.075 515 L CA 1.989 56.863 54.840 0.057 0.000 0.752 515 L CB -0.362 41.738 42.059 0.069 0.000 0.891 515 L HN 0.511 nan 8.230 nan 0.000 0.432 516 N N -1.154 117.576 118.700 0.051 0.000 2.368 516 N HA -0.045 4.778 4.740 0.139 0.000 0.178 516 N C 0.628 176.157 175.510 0.030 0.000 1.021 516 N CA 0.870 53.942 53.050 0.036 0.000 0.875 516 N CB -0.031 38.482 38.487 0.044 0.000 1.020 516 N HN 0.509 nan 8.380 nan 0.000 0.433 517 N N -0.491 118.236 118.700 0.046 0.000 2.187 517 N HA 0.183 5.006 4.740 0.139 0.000 0.212 517 N C 0.853 176.392 175.510 0.047 0.000 1.152 517 N CA 0.276 53.350 53.050 0.040 0.000 0.872 517 N CB 0.643 39.156 38.487 0.043 0.000 1.025 517 N HN 0.128 nan 8.380 nan 0.000 0.514 518 G N 0.460 109.299 108.800 0.065 0.000 2.175 518 G HA2 -0.422 3.621 3.960 0.139 0.000 0.265 518 G HA3 -0.422 3.621 3.960 0.139 0.000 0.265 518 G C -0.004 175.008 174.900 0.186 0.000 0.979 518 G CA 0.655 45.804 45.100 0.083 0.000 0.663 518 G HN 0.700 nan 8.290 nan 0.000 0.533 519 K N 0.543 121.044 120.400 0.168 0.000 2.436 519 K HA 0.276 4.679 4.320 0.139 0.000 0.275 519 K C 0.729 177.477 176.600 0.245 0.000 0.999 519 K CA -0.248 56.144 56.287 0.175 0.000 0.980 519 K CB 0.285 32.853 32.500 0.113 0.000 0.919 519 K HN 0.367 nan 8.250 nan 0.000 0.484 520 Q N 4.372 124.305 119.800 0.222 0.000 2.296 520 Q HA 0.081 4.504 4.340 0.139 0.000 0.262 520 Q C -0.272 175.750 176.000 0.037 0.000 0.981 520 Q CA -0.716 55.116 55.803 0.049 0.000 0.905 520 Q CB 0.628 29.395 28.738 0.048 0.000 1.186 520 Q HN 0.468 nan 8.270 nan 0.000 0.399 521 I N 3.852 124.431 120.570 0.015 0.000 2.648 521 I HA 0.007 4.261 4.170 0.139 0.000 0.284 521 I C 0.864 177.049 176.117 0.114 0.000 1.153 521 I CA 0.466 61.813 61.300 0.078 0.000 1.426 521 I CB 0.377 38.444 38.000 0.111 0.000 1.381 521 I HN 0.695 nan 8.210 nan 0.000 0.571 522 T N 3.656 118.228 114.554 0.031 0.000 2.929 522 T HA 0.721 5.154 4.350 0.139 0.000 0.284 522 T C -0.335 174.245 174.700 -0.201 0.000 1.014 522 T CA -0.719 61.379 62.100 -0.003 0.000 1.051 522 T CB 1.967 70.840 68.868 0.008 0.000 1.028 522 T HN 0.242 nan 8.240 nan 0.000 0.485 523 V N 2.346 122.082 119.914 -0.296 0.000 2.525 523 V HA 0.580 4.783 4.120 0.139 0.000 0.299 523 V C -0.273 175.702 176.094 -0.199 0.000 1.034 523 V CA -0.650 61.413 62.300 -0.394 0.000 0.863 523 V CB 1.860 33.203 31.823 -0.800 0.000 0.999 523 V HN 1.198 nan 8.190 nan 0.000 0.423 524 T N 2.611 117.076 114.554 -0.149 0.000 2.861 524 T HA 0.439 4.872 4.350 0.139 0.000 0.287 524 T C -0.374 174.254 174.700 -0.120 0.000 1.003 524 T CA -0.387 61.653 62.100 -0.101 0.000 0.977 524 T CB 1.280 70.111 68.868 -0.063 0.000 0.996 524 T HN 0.861 nan 8.240 nan 0.000 0.448 525 D N 1.396 121.716 120.400 -0.133 0.000 2.803 525 D HA -0.219 4.505 4.640 0.139 0.000 0.233 525 D C -1.017 175.155 176.300 -0.215 0.000 1.182 525 D CA 0.547 54.455 54.000 -0.153 0.000 0.726 525 D CB -1.175 39.588 40.800 -0.063 0.000 0.987 525 D HN 0.477 nan 8.370 nan 0.000 0.412 526 F N 1.843 121.526 119.950 -0.445 0.000 2.334 526 F HA 0.416 5.026 4.527 0.138 0.000 0.367 526 F C 0.219 175.760 175.800 -0.431 0.000 1.115 526 F CA -0.323 57.416 58.000 -0.435 0.000 1.116 526 F CB 0.520 39.255 39.000 -0.442 0.000 1.230 526 F HN 0.082 nan 8.300 nan 0.000 0.484 527 S N 6.219 121.595 115.700 -0.541 0.000 2.549 527 S HA 0.791 5.344 4.470 0.139 0.000 0.297 527 S C -0.755 173.584 174.600 -0.434 0.000 1.115 527 S CA -0.769 57.213 58.200 -0.364 0.000 1.059 527 S CB 1.916 64.992 63.200 -0.208 0.000 1.046 527 S HN 0.539 nan 8.310 nan 0.000 0.506 528 I N 1.374 121.773 120.570 -0.284 0.000 2.447 528 I HA 0.501 4.754 4.170 0.139 0.000 0.287 528 I C -0.366 175.762 176.117 0.018 0.000 1.023 528 I CA -0.239 60.964 61.300 -0.160 0.000 1.083 528 I CB 1.861 39.787 38.000 -0.123 0.000 1.245 528 I HN 0.796 nan 8.210 nan 0.000 0.434 529 E N 4.168 124.396 120.200 0.048 0.000 2.314 529 E HA 0.517 4.950 4.350 0.139 0.000 0.272 529 E C 0.273 176.961 176.600 0.147 0.000 0.884 529 E CA -0.486 55.975 56.400 0.103 0.000 0.753 529 E CB 2.098 31.821 29.700 0.038 0.000 1.213 529 E HN 0.807 nan 8.360 nan 0.000 0.432 530 G N 3.923 112.825 108.800 0.170 0.000 2.221 530 G HA2 -0.301 3.742 3.960 0.139 0.000 0.265 530 G HA3 -0.301 3.742 3.960 0.139 0.000 0.265 530 G C -0.338 174.724 174.900 0.270 0.000 1.041 530 G CA 0.526 45.730 45.100 0.174 0.000 0.807 530 G HN 0.463 nan 8.290 nan 0.000 0.502 531 F N 2.294 122.320 119.950 0.127 0.000 2.411 531 F HA 0.610 5.221 4.527 0.139 0.000 0.350 531 F C 0.750 176.616 175.800 0.109 0.000 1.114 531 F CA -0.112 57.975 58.000 0.144 0.000 1.135 531 F CB 1.178 40.305 39.000 0.212 0.000 1.120 531 F HN 0.278 nan 8.300 nan 0.000 0.495 532 T N 2.922 117.547 114.554 0.118 0.000 2.900 532 T HA 0.641 5.074 4.350 0.139 0.000 0.295 532 T C -1.223 173.338 174.700 -0.231 0.000 1.044 532 T CA -0.850 61.154 62.100 -0.160 0.000 0.995 532 T CB 1.796 70.650 68.868 -0.023 0.000 1.072 532 T HN 0.335 nan 8.240 nan 0.000 0.473 533 V N 2.886 122.620 119.914 -0.300 0.000 2.376 533 V HA 0.692 4.895 4.120 0.139 0.000 0.287 533 V C 1.261 177.259 176.094 -0.161 0.000 1.015 533 V CA 0.481 62.623 62.300 -0.264 0.000 0.834 533 V CB 0.260 31.908 31.823 -0.292 0.000 1.001 533 V HN 1.573 nan 8.190 nan 0.000 0.428 534 G N 5.910 114.634 108.800 -0.128 0.000 2.583 534 G HA2 -0.354 3.689 3.960 0.139 0.000 0.292 534 G HA3 -0.354 3.689 3.960 0.139 0.000 0.292 534 G C 0.464 175.326 174.900 -0.063 0.000 1.203 534 G CA 0.810 45.861 45.100 -0.082 0.000 0.987 534 G HN 1.187 nan 8.290 nan 0.000 0.554 535 N N 0.333 119.004 118.700 -0.049 0.000 2.276 535 N HA 0.335 5.158 4.740 0.139 0.000 0.212 535 N C 0.264 175.748 175.510 -0.044 0.000 1.127 535 N CA 0.989 54.016 53.050 -0.038 0.000 0.834 535 N CB 0.520 38.991 38.487 -0.026 0.000 1.014 535 N HN 0.566 nan 8.380 nan 0.000 0.491 536 T N 0.263 114.777 114.554 -0.066 0.000 2.771 536 T HA 0.291 4.724 4.350 0.139 0.000 0.281 536 T C -0.318 174.318 174.700 -0.106 0.000 0.982 536 T CA -0.463 61.592 62.100 -0.075 0.000 0.978 536 T CB 1.246 70.068 68.868 -0.077 0.000 0.930 536 T HN 0.058 nan 8.240 nan 0.000 0.447 537 T N 4.921 119.430 114.554 -0.075 0.000 2.851 537 T HA 0.293 4.726 4.350 0.139 0.000 0.298 537 T C 0.442 175.081 174.700 -0.101 0.000 0.977 537 T CA -0.518 61.541 62.100 -0.069 0.000 1.126 537 T CB 0.097 68.952 68.868 -0.021 0.000 0.916 537 T HN 0.307 nan 8.240 nan 0.000 0.529 538 I N 4.613 125.094 120.570 -0.149 0.000 2.365 538 I HA 0.359 4.612 4.170 0.139 0.000 0.291 538 I C 1.121 177.241 176.117 0.005 0.000 1.004 538 I CA -0.370 60.839 61.300 -0.152 0.000 1.311 538 I CB 0.688 38.450 38.000 -0.396 0.000 1.401 538 I HN 0.765 nan 8.210 nan 0.000 0.491 539 T N 1.586 116.113 114.554 -0.045 0.000 2.831 539 T HA 0.640 5.073 4.350 0.139 0.000 0.287 539 T C 0.968 175.505 174.700 -0.271 0.000 1.070 539 T CA -0.181 61.895 62.100 -0.039 0.000 1.010 539 T CB 1.672 70.530 68.868 -0.017 0.000 1.264 539 T HN 0.463 nan 8.240 nan 0.000 0.532 540 A N 0.481 123.133 122.820 -0.280 0.000 2.024 540 A HA 0.024 4.427 4.320 0.139 0.000 0.220 540 A C 2.523 179.957 177.584 -0.250 0.000 1.164 540 A CA 2.248 54.013 52.037 -0.453 0.000 0.643 540 A CB -1.389 17.562 19.000 -0.081 0.000 0.806 540 A HN 0.903 nan 8.150 nan 0.000 0.451 541 S N 1.168 116.786 115.700 -0.137 0.000 2.368 541 S HA -0.168 4.385 4.470 0.139 0.000 0.224 541 S C 1.454 176.007 174.600 -0.080 0.000 1.029 541 S CA 1.671 59.824 58.200 -0.079 0.000 0.988 541 S CB -0.393 62.780 63.200 -0.044 0.000 0.838 541 S HN 0.843 nan 8.310 nan 0.000 0.462 542 N N 0.444 119.085 118.700 -0.098 0.000 2.235 542 N HA 0.398 5.221 4.740 0.139 0.000 0.231 542 N C 0.976 176.446 175.510 -0.068 0.000 1.177 542 N CA 0.578 53.587 53.050 -0.068 0.000 0.874 542 N CB -0.272 38.183 38.487 -0.053 0.000 1.097 542 N HN 0.287 nan 8.380 nan 0.000 0.518 543 A N 0.957 123.696 122.820 -0.136 0.000 1.883 543 A HA 0.073 4.476 4.320 0.139 0.000 0.217 543 A C 2.328 179.951 177.584 0.065 0.000 1.186 543 A CA 1.975 53.977 52.037 -0.057 0.000 0.624 543 A CB -1.052 17.736 19.000 -0.353 0.000 0.822 543 A HN 0.435 nan 8.150 nan 0.000 0.444 544 A N -0.302 122.533 122.820 0.025 0.000 2.014 544 A HA 0.045 4.448 4.320 0.139 0.000 0.218 544 A C 2.385 179.986 177.584 0.028 0.000 1.163 544 A CA 2.086 54.152 52.037 0.048 0.000 0.652 544 A CB -0.595 18.430 19.000 0.041 0.000 0.808 544 A HN 0.806 nan 8.150 nan 0.000 0.449 545 S N -0.894 114.816 115.700 0.016 0.000 2.338 545 S HA -0.004 4.549 4.470 0.139 0.000 0.197 545 S C 1.663 176.280 174.600 0.029 0.000 0.990 545 S CA 0.992 59.199 58.200 0.012 0.000 0.920 545 S CB -1.012 62.190 63.200 0.005 0.000 0.903 545 S HN 0.184 nan 8.310 nan 0.000 0.542 546 V N 2.521 122.453 119.914 0.031 0.000 2.358 546 V HA 0.033 4.236 4.120 0.139 0.000 0.246 546 V C 2.754 178.943 176.094 0.157 0.000 1.047 546 V CA 1.897 64.235 62.300 0.063 0.000 1.035 546 V CB -1.549 30.276 31.823 0.004 0.000 0.658 546 V HN 0.717 nan 8.190 nan 0.000 0.452 547 G N -1.149 107.729 108.800 0.130 0.000 2.650 547 G HA2 -0.095 3.948 3.960 0.139 0.000 0.214 547 G HA3 -0.095 3.948 3.960 0.139 0.000 0.214 547 G C 0.965 176.065 174.900 0.334 0.000 1.136 547 G CA 0.159 45.445 45.100 0.311 0.000 0.789 547 G HN 0.494 nan 8.290 nan 0.000 0.536 548 R N -1.204 119.351 120.500 0.093 0.000 3.758 548 R HA -0.155 4.269 4.340 0.139 0.000 0.299 548 R C -0.259 176.008 176.300 -0.056 0.000 1.182 548 R CA 0.585 56.633 56.100 -0.087 0.000 0.809 548 R CB -2.267 27.772 30.300 -0.434 0.000 1.249 548 R HN 0.422 nan 8.270 nan 0.000 0.497 549 I N 2.122 122.730 120.570 0.064 0.000 2.206 549 I HA 0.029 4.282 4.170 0.139 0.000 0.292 549 I C 0.741 176.907 176.117 0.081 0.000 1.156 549 I CA 0.061 61.390 61.300 0.048 0.000 1.356 549 I CB 0.264 38.425 38.000 0.268 0.000 1.494 549 I HN 0.119 nan 8.210 nan 0.000 0.601 550 D N 1.989 122.409 120.400 0.033 0.000 2.479 550 D HA 0.080 4.803 4.640 0.139 0.000 0.218 550 D C 1.229 177.581 176.300 0.087 0.000 1.177 550 D CA -0.113 53.924 54.000 0.061 0.000 0.830 550 D CB 0.530 41.349 40.800 0.031 0.000 1.014 550 D HN 0.365 nan 8.370 nan 0.000 0.503 551 G N 0.159 109.031 108.800 0.119 0.000 3.651 551 G HA2 0.299 4.342 3.960 0.139 0.000 0.279 551 G HA3 0.299 4.342 3.960 0.139 0.000 0.279 551 G C -0.040 174.995 174.900 0.225 0.000 1.024 551 G CA -0.264 44.945 45.100 0.182 0.000 0.813 551 G HN 0.139 nan 8.290 nan 0.000 0.518 552 V N 1.236 121.283 119.914 0.222 0.000 2.521 552 V HA 0.082 4.285 4.120 0.139 0.000 0.286 552 V C 0.374 176.565 176.094 0.162 0.000 1.034 552 V CA -0.668 61.780 62.300 0.248 0.000 1.045 552 V CB 1.116 33.097 31.823 0.264 0.000 0.974 552 V HN 0.375 nan 8.190 nan 0.000 0.480 553 D N 7.436 127.916 120.400 0.134 0.000 2.472 553 D HA 0.067 4.790 4.640 0.139 0.000 0.237 553 D C -1.022 175.265 176.300 -0.022 0.000 1.141 553 D CA -0.888 53.105 54.000 -0.013 0.000 0.875 553 D CB 1.141 41.814 40.800 -0.212 0.000 1.192 553 D HN 0.323 nan 8.370 nan 0.000 0.450 554 P HA -0.194 nan 4.420 nan 0.000 0.219 554 P C 0.682 177.965 177.300 -0.029 0.000 1.146 554 P CA 0.967 64.065 63.100 -0.004 0.000 0.808 554 P CB 0.046 31.743 31.700 -0.005 0.000 0.779 555 A N -1.364 121.369 122.820 -0.146 0.000 2.066 555 A HA -0.103 4.300 4.320 0.139 0.000 0.218 555 A C 1.807 179.367 177.584 -0.039 0.000 1.157 555 A CA 0.843 52.777 52.037 -0.171 0.000 0.670 555 A CB -1.336 17.450 19.000 -0.355 0.000 0.804 555 A HN 0.272 nan 8.150 nan 0.000 0.453 556 Y N -2.027 118.273 120.300 0.002 0.000 2.442 556 Y HA 0.269 4.901 4.550 0.138 0.000 0.250 556 Y C 2.568 178.464 175.900 -0.007 0.000 1.113 556 Y CA -0.099 57.986 58.100 -0.024 0.000 1.273 556 Y CB 0.176 38.600 38.460 -0.060 0.000 1.138 556 Y HN 0.308 nan 8.280 nan 0.000 0.522 557 A N 0.835 123.758 122.820 0.171 0.000 1.927 557 A HA -0.230 4.173 4.320 0.139 0.000 0.220 557 A C 2.372 180.050 177.584 0.156 0.000 1.185 557 A CA 2.100 54.231 52.037 0.156 0.000 0.639 557 A CB -1.326 17.754 19.000 0.134 0.000 0.820 557 A HN 0.480 nan 8.150 nan 0.000 0.451 558 G N -1.798 107.090 108.800 0.145 0.000 2.679 558 G HA2 0.112 4.155 3.960 0.139 0.000 0.212 558 G HA3 0.112 4.155 3.960 0.139 0.000 0.212 558 G C 1.340 176.354 174.900 0.190 0.000 1.137 558 G CA 1.026 46.229 45.100 0.172 0.000 0.787 558 G HN 0.496 nan 8.290 nan 0.000 0.534 559 S N -0.694 115.039 115.700 0.054 0.000 2.524 559 S HA 0.195 4.748 4.470 0.139 0.000 0.215 559 S C 0.539 174.847 174.600 -0.487 0.000 0.986 559 S CA -0.276 57.825 58.200 -0.164 0.000 0.911 559 S CB 0.808 63.951 63.200 -0.095 0.000 0.805 559 S HN 0.049 nan 8.310 nan 0.000 0.501 560 V N 3.467 123.245 119.914 -0.226 0.000 2.348 560 V HA 0.286 4.489 4.120 0.139 0.000 0.270 560 V C -0.588 175.438 176.094 -0.113 0.000 1.037 560 V CA -0.486 61.705 62.300 -0.180 0.000 0.872 560 V CB 0.137 31.946 31.823 -0.023 0.000 1.002 560 V HN 0.440 nan 8.190 nan 0.000 0.464 561 H N 4.175 123.190 119.070 -0.091 0.000 2.481 561 H HA 0.467 5.106 4.556 0.139 0.000 0.333 561 H C -1.315 173.897 175.328 -0.193 0.000 1.066 561 H CA -0.680 55.326 56.048 -0.070 0.000 1.209 561 H CB 1.190 30.933 29.762 -0.033 0.000 1.445 561 H HN 0.576 nan 8.280 nan 0.000 0.488 562 Y N 3.210 123.636 120.300 0.210 0.000 2.404 562 Y HA 0.116 4.748 4.550 0.138 0.000 0.344 562 Y C -0.022 175.945 175.900 0.112 0.000 0.970 562 Y CA -0.874 57.321 58.100 0.159 0.000 1.180 562 Y CB 0.462 39.018 38.460 0.160 0.000 1.138 562 Y HN 0.498 nan 8.280 nan 0.000 0.510 563 I N 5.212 125.883 120.570 0.169 0.000 2.329 563 I HA 0.110 4.363 4.170 0.139 0.000 0.295 563 I C 0.029 176.222 176.117 0.125 0.000 1.109 563 I CA -0.351 61.015 61.300 0.110 0.000 1.297 563 I CB -0.531 37.500 38.000 0.052 0.000 1.433 563 I HN 0.591 nan 8.210 nan 0.000 0.509 564 D N 0.000 120.470 120.400 0.116 0.000 6.856 564 D HA 0.000 4.723 4.640 0.139 0.000 0.175 564 D CA 0.000 54.058 54.000 0.097 0.000 0.868 564 D CB 0.000 40.858 40.800 0.097 0.000 0.688 564 D HN 0.000 nan 8.370 nan 0.000 0.683