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 1h4j_1_E DATA FIRST_RESID 1 DATA SEQUENCE NDKLVELSKS DDNWVMPGKN YDSNNFSDLK QINKGNVKQL RPAWTFSTGL DATA SEQUENCE LNGHEGAPLV VDGKMYIHTS FPNNTFALGL DDPGTILWQD KPKQNPAARA DATA SEQUENCE VACCDLVNRG LAYWPGDGKT PALILKTQLD GNVAALNAET GETVWKVENS DATA SEQUENCE DIKVGSTLTI APYVVKDKVI IGSSGAELGV RGYLTAYDVK TGEQVWRAYA DATA SEQUENCE TGPDKDLLLA SDFNIKNPHY GQKGLGTGTW EGDAWKIGGG TNWGWYAYDP DATA SEQUENCE GTNLIYFGTG NPAPWNETMR PGDNKWTMTI FGRDADTGEA KFGYQKTPHD DATA SEQUENCE EWEYAGVNVM MLSEQKDKDG KARKLLTHPD RNGIVYTLDR TDGALVSANK DATA SEQUENCE LDDTVNVFKS VDLKTGQPVR DPEYGTRMDH LAKDIcPSAM GYHNQGHDSY DATA SEQUENCE DPKRELFFMG INHIcMDWEP FMLPYRAGQF FVGATLNMYP GPKGDRQNYE DATA SEQUENCE GLGQIKAYNA ITGDYKWEKM ERFAVWGGTM ATAGDLVFYG TLDGYLKARD DATA SEQUENCE SDTGDLLWKF KIPSGAIGYP MTYTHKGTQY VAIYYGVGGW PGVGLVFDLA DATA SEQUENCE DPTAGLGAVG AFKKLANYTQ MGGGVVVFSL DGKGPYDDPN VGEWK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 N HA 0.000 nan 4.740 nan 0.000 0.220 1 N C 0.000 175.642 175.510 0.220 0.000 1.280 1 N CA 0.000 53.181 53.050 0.218 0.000 0.885 1 N CB 0.000 38.620 38.487 0.222 0.000 1.341 2 D N 2.249 122.739 120.400 0.149 0.000 2.144 2 D HA -0.113 4.528 4.640 0.002 0.000 0.200 2 D C 1.324 177.677 176.300 0.088 0.000 0.978 2 D CA 1.086 55.164 54.000 0.129 0.000 0.833 2 D CB 0.534 41.389 40.800 0.092 0.000 0.961 2 D HN 0.525 nan 8.370 nan 0.000 0.470 3 K N 0.720 121.143 120.400 0.040 0.000 2.074 3 K HA -0.081 4.240 4.320 0.002 0.000 0.209 3 K C 2.244 178.861 176.600 0.028 0.000 1.048 3 K CA 0.594 56.885 56.287 0.008 0.000 0.926 3 K CB -0.264 32.199 32.500 -0.063 0.000 0.713 3 K HN 0.080 nan 8.250 nan 0.000 0.444 4 L N -0.239 121.010 121.223 0.043 0.000 2.012 4 L HA -0.228 4.113 4.340 0.002 0.000 0.210 4 L C 2.164 179.032 176.870 -0.004 0.000 1.073 4 L CA 1.173 56.025 54.840 0.020 0.000 0.748 4 L CB -0.484 41.579 42.059 0.007 0.000 0.891 4 L HN 0.055 nan 8.230 nan 0.000 0.431 5 V N -0.218 119.750 119.914 0.089 0.000 2.332 5 V HA -0.327 3.794 4.120 0.002 0.000 0.248 5 V C 2.452 178.580 176.094 0.057 0.000 1.055 5 V CA 2.052 64.415 62.300 0.106 0.000 1.038 5 V CB -0.531 31.419 31.823 0.211 0.000 0.651 5 V HN 0.507 nan 8.190 nan 0.000 0.450 6 E N -0.024 120.210 120.200 0.056 0.000 2.031 6 E HA -0.210 4.141 4.350 0.002 0.000 0.193 6 E C 2.304 178.918 176.600 0.025 0.000 0.994 6 E CA 1.424 57.848 56.400 0.040 0.000 0.800 6 E CB -0.152 29.570 29.700 0.037 0.000 0.752 6 E HN 0.533 nan 8.360 nan 0.000 0.447 7 L N 0.998 122.233 121.223 0.020 0.000 2.042 7 L HA -0.216 4.125 4.340 0.002 0.000 0.210 7 L C 2.721 179.588 176.870 -0.005 0.000 1.076 7 L CA 1.605 56.454 54.840 0.015 0.000 0.749 7 L CB -0.451 41.626 42.059 0.030 0.000 0.893 7 L HN 0.250 nan 8.230 nan 0.000 0.432 8 S N -0.998 114.681 115.700 -0.035 0.000 2.500 8 S HA -0.171 4.300 4.470 0.002 0.000 0.239 8 S C 1.730 176.304 174.600 -0.043 0.000 0.989 8 S CA 0.741 58.894 58.200 -0.078 0.000 0.951 8 S CB -0.301 62.817 63.200 -0.137 0.000 0.759 8 S HN 0.401 nan 8.310 nan 0.000 0.523 9 K N 1.244 121.641 120.400 -0.005 0.000 2.459 9 K HA 0.187 4.508 4.320 0.002 0.000 0.193 9 K C 0.639 177.252 176.600 0.022 0.000 1.030 9 K CA 0.139 56.436 56.287 0.016 0.000 1.026 9 K CB 0.085 32.603 32.500 0.029 0.000 0.809 9 K HN 0.337 nan 8.250 nan 0.000 0.504 10 S N 1.024 116.737 115.700 0.022 0.000 2.499 10 S HA 0.059 4.530 4.470 0.002 0.000 0.279 10 S C 0.362 174.997 174.600 0.058 0.000 1.219 10 S CA -0.743 57.480 58.200 0.038 0.000 1.062 10 S CB 0.927 64.150 63.200 0.039 0.000 0.978 10 S HN 0.066 nan 8.310 nan 0.000 0.489 11 D N 2.605 123.047 120.400 0.070 0.000 2.363 11 D HA 0.000 4.641 4.640 0.002 0.000 0.220 11 D C 0.147 176.547 176.300 0.166 0.000 0.994 11 D CA 0.740 54.800 54.000 0.100 0.000 0.890 11 D CB 0.018 40.861 40.800 0.071 0.000 0.906 11 D HN 0.762 nan 8.370 nan 0.000 0.530 12 D N -0.584 119.910 120.400 0.156 0.000 2.738 12 D HA 0.134 4.775 4.640 0.002 0.000 0.246 12 D C -0.168 176.243 176.300 0.185 0.000 1.270 12 D CA -0.523 53.610 54.000 0.222 0.000 0.833 12 D CB -0.065 40.842 40.800 0.179 0.000 1.040 12 D HN -0.206 nan 8.370 nan 0.000 0.487 13 N N 0.391 119.202 118.700 0.184 0.000 2.277 13 N HA 0.308 5.049 4.740 0.002 0.000 0.286 13 N C -1.721 173.946 175.510 0.262 0.000 1.140 13 N CA -0.581 52.555 53.050 0.143 0.000 0.799 13 N CB 1.999 40.524 38.487 0.062 0.000 1.596 13 N HN 0.177 nan 8.380 nan 0.000 0.473 14 W N 3.000 124.299 121.300 -0.003 0.000 2.258 14 W HA 0.227 4.888 4.660 0.001 0.000 0.287 14 W C 0.041 176.563 176.519 0.004 0.000 1.024 14 W CA -0.579 56.783 57.345 0.028 0.000 1.377 14 W CB 0.502 29.998 29.460 0.060 0.000 1.351 14 W HN 0.340 nan 8.180 nan 0.000 0.334 15 V N 3.145 123.098 119.914 0.065 0.000 3.646 15 V HA 0.256 4.377 4.120 0.002 0.000 0.277 15 V C 0.241 176.404 176.094 0.116 0.000 1.274 15 V CA 0.814 63.149 62.300 0.058 0.000 1.164 15 V CB -0.896 30.941 31.823 0.022 0.000 0.926 15 V HN 0.403 nan 8.190 nan 0.000 0.442 16 M N -3.316 116.376 119.600 0.153 0.000 2.790 16 M HA 0.668 5.149 4.480 0.002 0.000 0.272 16 M C -3.395 173.131 176.300 0.377 0.000 1.168 16 M CA -1.640 53.786 55.300 0.209 0.000 0.829 16 M CB 1.205 33.812 32.600 0.013 0.000 1.675 16 M HN -0.295 nan 8.290 nan 0.000 0.505 17 P HA 0.278 nan 4.420 nan 0.000 0.267 17 P C 0.816 178.339 177.300 0.372 0.000 1.205 17 P CA 1.583 65.050 63.100 0.612 0.000 0.765 17 P CB 0.627 32.809 31.700 0.804 0.000 0.828 18 G N 2.593 111.428 108.800 0.058 0.000 2.157 18 G HA2 -0.339 3.622 3.960 0.002 0.000 0.248 18 G HA3 -0.339 3.622 3.960 0.002 0.000 0.248 18 G C 0.899 175.693 174.900 -0.176 0.000 0.979 18 G CA 0.616 45.544 45.100 -0.287 0.000 0.650 18 G HN 0.737 nan 8.290 nan 0.000 0.529 19 K N -1.729 118.458 120.400 -0.356 0.000 5.503 19 K HA -0.389 3.932 4.320 0.002 0.000 0.447 19 K C 0.629 176.938 176.600 -0.485 0.000 0.396 19 K CA 2.944 58.625 56.287 -1.010 0.000 1.904 19 K CB -1.462 30.257 32.500 -1.302 0.000 0.786 19 K HN 1.498 nan 8.250 nan 0.000 0.639 20 N N -3.103 115.470 118.700 -0.211 0.000 2.972 20 N HA 0.265 5.006 4.740 0.002 0.000 0.262 20 N C 0.005 175.564 175.510 0.081 0.000 1.478 20 N CA -0.482 52.490 53.050 -0.130 0.000 0.841 20 N CB -0.231 38.219 38.487 -0.063 0.000 1.512 20 N HN -0.078 nan 8.380 nan 0.000 0.548 21 Y N -0.337 120.086 120.300 0.204 0.000 2.403 21 Y HA -0.016 4.535 4.550 0.002 0.000 0.291 21 Y C 0.895 176.985 175.900 0.317 0.000 1.143 21 Y CA 0.973 59.272 58.100 0.331 0.000 1.257 21 Y CB -0.342 38.319 38.460 0.337 0.000 0.984 21 Y HN 0.580 nan 8.280 nan 0.000 0.550 22 D N -1.256 119.358 120.400 0.358 0.000 2.289 22 D HA -0.042 4.599 4.640 0.002 0.000 0.207 22 D C 0.801 177.260 176.300 0.265 0.000 0.966 22 D CA 0.869 55.029 54.000 0.267 0.000 0.868 22 D CB -0.146 40.771 40.800 0.194 0.000 0.943 22 D HN -0.043 nan 8.370 nan 0.000 0.514 23 S N 0.242 116.111 115.700 0.282 0.000 3.682 23 S HA -0.215 4.256 4.470 0.002 0.000 0.354 23 S C 0.907 175.695 174.600 0.313 0.000 1.034 23 S CA 0.636 59.019 58.200 0.305 0.000 1.084 23 S CB -1.580 61.850 63.200 0.383 0.000 0.903 23 S HN 0.551 nan 8.310 nan 0.000 0.470 24 N N 1.201 120.061 118.700 0.266 0.000 2.424 24 N HA 0.047 4.788 4.740 0.002 0.000 0.178 24 N C 0.263 175.985 175.510 0.353 0.000 1.060 24 N CA 0.696 53.946 53.050 0.333 0.000 0.901 24 N CB -0.558 38.137 38.487 0.346 0.000 0.979 24 N HN 0.679 nan 8.380 nan 0.000 0.451 25 N N -1.275 117.563 118.700 0.231 0.000 2.735 25 N HA -0.231 4.510 4.740 0.002 0.000 0.248 25 N C -1.500 174.200 175.510 0.317 0.000 1.083 25 N CA 0.107 53.286 53.050 0.216 0.000 0.703 25 N CB -1.169 37.466 38.487 0.247 0.000 1.005 25 N HN 0.344 nan 8.380 nan 0.000 0.550 26 F N 0.889 120.907 119.950 0.113 0.000 2.469 26 F HA 0.526 5.054 4.527 0.002 0.000 0.332 26 F C 0.033 175.880 175.800 0.078 0.000 1.103 26 F CA -0.538 57.536 58.000 0.123 0.000 0.979 26 F CB 1.702 40.761 39.000 0.098 0.000 1.137 26 F HN -0.141 nan 8.300 nan 0.000 0.463 27 S N 4.042 119.321 115.700 -0.702 0.000 2.482 27 S HA 0.284 4.755 4.470 0.002 0.000 0.303 27 S C 0.192 174.424 174.600 -0.614 0.000 1.091 27 S CA -0.749 57.200 58.200 -0.418 0.000 1.057 27 S CB 0.913 64.023 63.200 -0.150 0.000 1.031 27 S HN 0.750 nan 8.310 nan 0.000 0.485 28 D N 3.008 123.287 120.400 -0.202 0.000 2.355 28 D HA 0.081 4.722 4.640 0.002 0.000 0.218 28 D C 0.307 176.571 176.300 -0.059 0.000 1.004 28 D CA 0.366 54.334 54.000 -0.052 0.000 0.880 28 D CB 0.094 40.942 40.800 0.080 0.000 0.911 28 D HN 0.506 nan 8.370 nan 0.000 0.528 29 L N 1.566 122.737 121.223 -0.087 0.000 2.513 29 L HA 0.007 4.348 4.340 0.002 0.000 0.272 29 L C 1.507 178.337 176.870 -0.066 0.000 1.187 29 L CA 0.436 55.240 54.840 -0.059 0.000 0.895 29 L CB 0.439 42.463 42.059 -0.057 0.000 1.147 29 L HN -0.061 nan 8.230 nan 0.000 0.483 30 K N 2.441 122.816 120.400 -0.041 0.000 2.506 30 K HA 0.083 4.404 4.320 0.002 0.000 0.204 30 K C 1.037 177.613 176.600 -0.041 0.000 1.045 30 K CA -0.312 55.956 56.287 -0.031 0.000 1.074 30 K CB 0.470 32.966 32.500 -0.008 0.000 0.842 30 K HN 0.563 nan 8.250 nan 0.000 0.514 31 Q N 1.258 121.022 119.800 -0.058 0.000 2.050 31 Q HA 0.002 4.343 4.340 0.002 0.000 0.202 31 Q C 0.152 176.102 176.000 -0.084 0.000 0.980 31 Q CA 1.041 56.800 55.803 -0.073 0.000 0.840 31 Q CB 0.136 28.816 28.738 -0.097 0.000 0.898 31 Q HN 0.449 nan 8.270 nan 0.000 0.424 32 I N 2.385 122.901 120.570 -0.090 0.000 2.304 32 I HA 0.167 4.338 4.170 0.002 0.000 0.291 32 I C -0.733 175.358 176.117 -0.044 0.000 1.018 32 I CA -0.639 60.608 61.300 -0.088 0.000 1.260 32 I CB 0.861 38.802 38.000 -0.099 0.000 1.390 32 I HN 0.295 nan 8.210 nan 0.000 0.475 33 N N 4.322 122.986 118.700 -0.060 0.000 2.774 33 N HA 0.285 5.026 4.740 0.002 0.000 0.264 33 N C 0.140 175.604 175.510 -0.076 0.000 1.415 33 N CA -1.203 51.817 53.050 -0.049 0.000 0.815 33 N CB 0.703 39.169 38.487 -0.035 0.000 1.514 33 N HN 0.409 nan 8.380 nan 0.000 0.523 34 K N -1.490 118.866 120.400 -0.072 0.000 2.520 34 K HA -0.054 4.267 4.320 0.002 0.000 0.197 34 K C 1.050 177.612 176.600 -0.064 0.000 1.044 34 K CA 1.468 57.707 56.287 -0.081 0.000 0.938 34 K CB -0.521 31.938 32.500 -0.069 0.000 0.767 34 K HN 0.621 nan 8.250 nan 0.000 0.481 35 G N 1.820 110.587 108.800 -0.055 0.000 2.492 35 G HA2 -0.175 3.786 3.960 0.002 0.000 0.214 35 G HA3 -0.175 3.786 3.960 0.002 0.000 0.214 35 G C 1.036 175.906 174.900 -0.051 0.000 1.147 35 G CA 0.310 45.383 45.100 -0.044 0.000 0.809 35 G HN 0.579 nan 8.290 nan 0.000 0.533 36 N N -0.057 118.600 118.700 -0.071 0.000 2.170 36 N HA 0.062 4.803 4.740 0.002 0.000 0.222 36 N C 1.432 176.861 175.510 -0.135 0.000 1.218 36 N CA 0.306 53.306 53.050 -0.083 0.000 0.889 36 N CB 0.164 38.603 38.487 -0.079 0.000 1.083 36 N HN 0.066 nan 8.380 nan 0.000 0.520 37 V N 0.908 120.719 119.914 -0.171 0.000 2.380 37 V HA -0.223 3.898 4.120 0.002 0.000 0.251 37 V C 2.102 177.963 176.094 -0.389 0.000 1.063 37 V CA 1.587 63.693 62.300 -0.323 0.000 1.055 37 V CB -0.637 31.001 31.823 -0.309 0.000 0.657 37 V HN 0.357 nan 8.190 nan 0.000 0.455 38 K N -0.261 120.064 120.400 -0.124 0.000 2.585 38 K HA -0.126 4.195 4.320 0.002 0.000 0.194 38 K C 1.768 178.397 176.600 0.048 0.000 1.037 38 K CA 0.832 57.155 56.287 0.060 0.000 0.964 38 K CB -0.057 32.498 32.500 0.091 0.000 0.787 38 K HN 0.639 nan 8.250 nan 0.000 0.488 39 Q N -0.026 119.728 119.800 -0.077 0.000 2.247 39 Q HA 0.084 4.425 4.340 0.002 0.000 0.211 39 Q C -0.422 175.537 176.000 -0.068 0.000 0.861 39 Q CA -0.362 55.423 55.803 -0.030 0.000 0.949 39 Q CB 0.454 29.167 28.738 -0.043 0.000 1.115 39 Q HN 0.050 nan 8.270 nan 0.000 0.507 40 L N 1.908 122.973 121.223 -0.263 0.000 2.513 40 L HA 0.074 4.415 4.340 0.002 0.000 0.272 40 L C -0.351 176.584 176.870 0.108 0.000 1.187 40 L CA 0.954 55.617 54.840 -0.295 0.000 0.895 40 L CB 0.093 41.576 42.059 -0.960 0.000 1.147 40 L HN -0.051 nan 8.230 nan 0.000 0.483 41 R N 4.188 124.775 120.500 0.146 0.000 2.739 41 R HA 0.550 4.891 4.340 0.002 0.000 0.271 41 R C -2.669 173.594 176.300 -0.061 0.000 1.010 41 R CA -2.240 53.937 56.100 0.128 0.000 0.897 41 R CB 1.536 31.884 30.300 0.081 0.000 1.236 41 R HN 0.226 nan 8.270 nan 0.000 0.466 42 P HA 0.095 nan 4.420 nan 0.000 0.267 42 P C -0.618 176.536 177.300 -0.244 0.000 1.209 42 P CA 0.369 63.090 63.100 -0.631 0.000 0.763 42 P CB 1.036 32.348 31.700 -0.647 0.000 0.816 43 A N 4.859 127.567 122.820 -0.185 0.000 1.924 43 A HA 0.202 4.523 4.320 0.002 0.000 0.211 43 A C 0.134 177.859 177.584 0.234 0.000 1.198 43 A CA 0.712 52.800 52.037 0.086 0.000 0.657 43 A CB -0.086 19.076 19.000 0.269 0.000 0.852 43 A HN 0.697 nan 8.150 nan 0.000 0.454 44 W N -1.842 119.423 121.300 -0.059 0.000 3.059 44 W HA 0.532 5.193 4.660 0.002 0.000 0.329 44 W C -1.132 175.365 176.519 -0.036 0.000 1.246 44 W CA -0.045 57.295 57.345 -0.009 0.000 1.190 44 W CB -0.018 29.472 29.460 0.049 0.000 1.423 44 W HN 0.328 nan 8.180 nan 0.000 0.571 45 T N -0.738 113.994 114.554 0.297 0.000 2.865 45 T HA 0.816 5.166 4.350 0.002 0.000 0.294 45 T C -1.822 173.138 174.700 0.434 0.000 1.119 45 T CA -0.575 61.632 62.100 0.177 0.000 1.007 45 T CB 3.038 71.967 68.868 0.101 0.000 1.225 45 T HN 0.767 nan 8.240 nan 0.000 0.515 46 F N 1.134 121.170 119.950 0.144 0.000 2.689 46 F HA 0.603 5.131 4.527 0.002 0.000 0.332 46 F C -0.475 175.322 175.800 -0.005 0.000 1.209 46 F CA -0.530 57.526 58.000 0.093 0.000 1.028 46 F CB 1.931 41.015 39.000 0.139 0.000 1.291 46 F HN 0.839 nan 8.300 nan 0.000 0.500 47 S N 2.874 118.227 115.700 -0.579 0.000 2.545 47 S HA 0.300 4.771 4.470 0.002 0.000 0.275 47 S C 1.107 175.140 174.600 -0.947 0.000 1.299 47 S CA 0.252 58.146 58.200 -0.510 0.000 1.048 47 S CB 0.994 64.022 63.200 -0.287 0.000 0.938 47 S HN 0.852 nan 8.310 nan 0.000 0.496 48 T N 1.569 115.799 114.554 -0.540 0.000 3.100 48 T HA 0.288 4.638 4.350 0.002 0.000 0.253 48 T C 1.492 176.075 174.700 -0.196 0.000 1.118 48 T CA 0.614 62.480 62.100 -0.390 0.000 1.058 48 T CB -0.444 68.431 68.868 0.012 0.000 0.953 48 T HN 1.600 nan 8.240 nan 0.000 0.515 49 G N 0.943 109.629 108.800 -0.190 0.000 2.159 49 G HA2 -0.198 3.763 3.960 0.002 0.000 0.256 49 G HA3 -0.198 3.763 3.960 0.002 0.000 0.256 49 G C -0.145 174.760 174.900 0.009 0.000 0.977 49 G CA 0.373 45.427 45.100 -0.076 0.000 0.652 49 G HN 0.636 nan 8.290 nan 0.000 0.531 50 L N -0.517 120.737 121.223 0.051 0.000 2.333 50 L HA 0.743 5.084 4.340 0.002 0.000 0.263 50 L C 0.855 177.797 176.870 0.120 0.000 1.014 50 L CA -1.272 53.626 54.840 0.098 0.000 0.820 50 L CB 1.844 43.979 42.059 0.127 0.000 1.352 50 L HN 0.018 nan 8.230 nan 0.000 0.421 51 L N 0.488 121.771 121.223 0.100 0.000 2.902 51 L HA 0.539 4.880 4.340 0.002 0.000 0.229 51 L C -0.273 176.686 176.870 0.148 0.000 1.324 51 L CA -0.734 54.147 54.840 0.069 0.000 1.230 51 L CB 0.808 42.867 42.059 0.000 0.000 2.134 51 L HN 0.723 nan 8.230 nan 0.000 0.567 52 N N -1.846 116.891 118.700 0.062 0.000 5.971 52 N HA -0.130 4.611 4.740 0.002 0.000 0.390 52 N C -0.450 175.192 175.510 0.220 0.000 1.130 52 N CA 0.753 53.850 53.050 0.078 0.000 2.259 52 N CB -0.424 38.106 38.487 0.071 0.000 0.654 52 N HN 0.914 nan 8.380 nan 0.000 0.614 53 G N -0.229 108.678 108.800 0.178 0.000 2.380 53 G HA2 0.284 4.245 3.960 0.002 0.000 0.242 53 G HA3 0.284 4.245 3.960 0.002 0.000 0.242 53 G C -0.930 174.130 174.900 0.266 0.000 1.298 53 G CA 0.096 45.333 45.100 0.228 0.000 0.878 53 G HN 0.553 nan 8.290 nan 0.000 0.542 54 H N 1.395 120.470 119.070 0.009 0.000 2.683 54 H HA 0.297 4.854 4.556 0.002 0.000 0.270 54 H C 0.426 175.774 175.328 0.033 0.000 1.201 54 H CA -0.443 55.530 56.048 -0.126 0.000 1.277 54 H CB 0.568 30.138 29.762 -0.320 0.000 1.400 54 H HN 0.599 nan 8.280 nan 0.000 0.504 55 E N 0.914 121.236 120.200 0.205 0.000 2.561 55 E HA 0.542 4.893 4.350 0.002 0.000 0.254 55 E C 0.764 177.689 176.600 0.542 0.000 1.213 55 E CA -0.379 56.269 56.400 0.414 0.000 0.995 55 E CB 1.194 31.169 29.700 0.458 0.000 1.233 55 E HN 0.662 nan 8.360 nan 0.000 0.556 56 G N -0.160 109.021 108.800 0.635 0.000 2.562 56 G HA2 0.046 4.007 3.960 0.002 0.000 0.250 56 G HA3 0.046 4.007 3.960 0.002 0.000 0.250 56 G C -0.760 174.240 174.900 0.167 0.000 1.269 56 G CA -0.360 45.109 45.100 0.616 0.000 0.919 56 G HN 0.964 nan 8.290 nan 0.000 0.574 57 A N -0.285 122.575 122.820 0.066 0.000 2.612 57 A HA 0.892 5.213 4.320 0.002 0.000 0.293 57 A C -2.741 174.738 177.584 -0.176 0.000 1.075 57 A CA 0.044 51.801 52.037 -0.467 0.000 0.680 57 A CB 1.709 20.049 19.000 -1.100 0.000 1.279 57 A HN 1.072 nan 8.150 nan 0.000 0.411 58 P HA 0.466 nan 4.420 nan 0.000 0.273 58 P C -0.800 176.451 177.300 -0.080 0.000 1.250 58 P CA -0.127 62.911 63.100 -0.104 0.000 0.793 58 P CB 0.665 32.229 31.700 -0.227 0.000 1.011 59 L N 0.117 121.389 121.223 0.081 0.000 2.334 59 L HA 0.508 4.849 4.340 0.002 0.000 0.273 59 L C -0.270 176.638 176.870 0.063 0.000 1.013 59 L CA -1.144 53.777 54.840 0.135 0.000 0.816 59 L CB 2.112 44.290 42.059 0.198 0.000 1.278 59 L HN 0.064 nan 8.230 nan 0.000 0.431 60 V N 3.573 123.501 119.914 0.024 0.000 2.409 60 V HA 0.476 4.597 4.120 0.002 0.000 0.290 60 V C -0.580 175.486 176.094 -0.046 0.000 1.017 60 V CA -0.468 61.759 62.300 -0.121 0.000 0.841 60 V CB 2.113 33.682 31.823 -0.423 0.000 1.003 60 V HN 0.434 nan 8.190 nan 0.000 0.426 61 V N 3.175 123.069 119.914 -0.033 0.000 2.668 61 V HA 0.498 4.619 4.120 0.002 0.000 0.304 61 V C -0.033 176.044 176.094 -0.028 0.000 1.071 61 V CA -0.728 61.500 62.300 -0.120 0.000 0.894 61 V CB 1.748 33.273 31.823 -0.496 0.000 1.008 61 V HN 0.915 nan 8.190 nan 0.000 0.425 62 D N 3.738 124.128 120.400 -0.016 0.000 2.697 62 D HA -0.131 4.510 4.640 0.002 0.000 0.238 62 D C 1.267 177.589 176.300 0.037 0.000 1.152 62 D CA 2.167 56.183 54.000 0.027 0.000 0.666 62 D CB -1.011 39.821 40.800 0.053 0.000 1.037 62 D HN 1.722 nan 8.370 nan 0.000 0.423 63 G N -0.183 108.644 108.800 0.045 0.000 2.189 63 G HA2 -0.360 3.600 3.960 0.002 0.000 0.267 63 G HA3 -0.360 3.600 3.960 0.002 0.000 0.267 63 G C 0.316 175.175 174.900 -0.068 0.000 0.975 63 G CA 0.910 46.057 45.100 0.078 0.000 0.644 63 G HN 0.631 nan 8.290 nan 0.000 0.537 64 K N -0.489 119.836 120.400 -0.125 0.000 2.259 64 K HA 0.712 5.033 4.320 0.002 0.000 0.249 64 K C -0.262 176.107 176.600 -0.385 0.000 0.942 64 K CA -0.886 55.218 56.287 -0.305 0.000 0.816 64 K CB 2.148 34.443 32.500 -0.343 0.000 1.155 64 K HN 0.183 nan 8.250 nan 0.000 0.428 65 M N 2.670 121.961 119.600 -0.515 0.000 2.294 65 M HA 0.343 4.824 4.480 0.002 0.000 0.335 65 M C -1.766 174.213 176.300 -0.534 0.000 1.079 65 M CA -0.689 54.371 55.300 -0.400 0.000 0.982 65 M CB 0.857 33.279 32.600 -0.296 0.000 1.651 65 M HN 0.535 nan 8.290 nan 0.000 0.437 66 Y N 5.373 125.595 120.300 -0.132 0.000 2.331 66 Y HA 0.539 5.090 4.550 0.002 0.000 0.338 66 Y C -0.427 175.496 175.900 0.038 0.000 0.976 66 Y CA -0.498 57.555 58.100 -0.079 0.000 1.137 66 Y CB 1.094 39.552 38.460 -0.002 0.000 1.172 66 Y HN 0.532 nan 8.280 nan 0.000 0.478 67 I N 5.010 125.684 120.570 0.173 0.000 2.404 67 I HA 0.279 4.450 4.170 0.002 0.000 0.293 67 I C -0.320 176.024 176.117 0.378 0.000 0.992 67 I CA -0.801 60.685 61.300 0.309 0.000 1.149 67 I CB 1.212 39.359 38.000 0.246 0.000 1.315 67 I HN 0.649 nan 8.210 nan 0.000 0.446 68 H N 3.539 122.782 119.070 0.288 0.000 2.670 68 H HA 0.723 5.280 4.556 0.002 0.000 0.361 68 H C -0.992 174.329 175.328 -0.010 0.000 1.169 68 H CA -0.636 55.502 56.048 0.151 0.000 1.198 68 H CB 1.980 31.829 29.762 0.146 0.000 1.700 68 H HN 0.613 nan 8.280 nan 0.000 0.542 69 T N -0.839 113.643 114.554 -0.119 0.000 2.773 69 T HA 0.470 4.821 4.350 0.002 0.000 0.278 69 T C 0.232 174.770 174.700 -0.270 0.000 1.011 69 T CA -0.428 61.462 62.100 -0.350 0.000 1.014 69 T CB 0.903 69.707 68.868 -0.106 0.000 1.293 69 T HN 0.810 nan 8.240 nan 0.000 0.554 70 S N -0.018 115.447 115.700 -0.392 0.000 2.661 70 S HA 0.525 4.996 4.470 0.002 0.000 0.265 70 S C -0.018 174.592 174.600 0.017 0.000 1.225 70 S CA -0.903 57.214 58.200 -0.140 0.000 0.986 70 S CB -0.312 62.804 63.200 -0.140 0.000 1.008 70 S HN 0.710 nan 8.310 nan 0.000 0.565 71 F N 3.130 123.072 119.950 -0.014 0.000 2.642 71 F HA 0.187 4.716 4.527 0.002 0.000 0.371 71 F C -1.318 174.488 175.800 0.010 0.000 1.120 71 F CA -1.505 56.502 58.000 0.012 0.000 1.331 71 F CB 0.442 39.462 39.000 0.033 0.000 1.044 71 F HN 0.397 nan 8.300 nan 0.000 0.594 72 P HA 0.003 nan 4.420 nan 0.000 0.259 72 P C -1.201 175.807 177.300 -0.487 0.000 1.480 72 P CA 0.280 62.652 63.100 -1.213 0.000 0.842 72 P CB -0.607 30.488 31.700 -1.007 0.000 1.513 73 N N -0.582 117.991 118.700 -0.213 0.000 2.699 73 N HA -0.155 4.586 4.740 0.002 0.000 0.257 73 N C -0.652 174.806 175.510 -0.087 0.000 1.077 73 N CA 0.161 53.165 53.050 -0.076 0.000 0.702 73 N CB -2.020 36.447 38.487 -0.035 0.000 0.886 73 N HN 0.431 nan 8.380 nan 0.000 0.549 74 N N -0.032 118.611 118.700 -0.096 0.000 2.445 74 N HA 0.497 5.238 4.740 0.002 0.000 0.264 74 N C -0.493 174.919 175.510 -0.164 0.000 1.227 74 N CA 0.018 52.958 53.050 -0.184 0.000 0.963 74 N CB 0.830 39.162 38.487 -0.260 0.000 1.188 74 N HN 0.084 nan 8.380 nan 0.000 0.491 75 T N 1.100 115.474 114.554 -0.300 0.000 2.881 75 T HA 0.493 4.844 4.350 0.002 0.000 0.290 75 T C -1.251 173.199 174.700 -0.417 0.000 1.000 75 T CA -0.453 61.572 62.100 -0.126 0.000 0.978 75 T CB 0.458 69.410 68.868 0.140 0.000 0.997 75 T HN 0.203 nan 8.240 nan 0.000 0.443 76 F N 1.121 121.009 119.950 -0.104 0.000 2.579 76 F HA 0.795 5.323 4.527 0.002 0.000 0.324 76 F C 0.163 175.577 175.800 -0.643 0.000 1.058 76 F CA -1.096 56.716 58.000 -0.313 0.000 0.944 76 F CB 1.792 40.705 39.000 -0.146 0.000 1.245 76 F HN 0.636 nan 8.300 nan 0.000 0.477 77 A N 3.082 125.471 122.820 -0.719 0.000 2.353 77 A HA 0.827 5.148 4.320 0.002 0.000 0.299 77 A C -1.476 175.696 177.584 -0.688 0.000 1.089 77 A CA -0.523 50.915 52.037 -0.999 0.000 0.736 77 A CB 0.744 18.782 19.000 -1.603 0.000 1.195 77 A HN 0.736 nan 8.150 nan 0.000 0.447 78 L N 2.080 122.921 121.223 -0.638 0.000 2.346 78 L HA 0.697 5.038 4.340 0.002 0.000 0.274 78 L C 0.777 177.365 176.870 -0.469 0.000 1.007 78 L CA -0.946 53.582 54.840 -0.521 0.000 0.818 78 L CB 2.228 43.950 42.059 -0.563 0.000 1.284 78 L HN 0.796 nan 8.230 nan 0.000 0.424 79 G N 1.579 110.146 108.800 -0.389 0.000 2.338 79 G HA2 0.350 4.311 3.960 0.002 0.000 0.295 79 G HA3 0.350 4.311 3.960 0.002 0.000 0.295 79 G C 0.679 175.322 174.900 -0.427 0.000 1.132 79 G CA -0.488 44.416 45.100 -0.326 0.000 0.922 79 G HN 0.460 nan 8.290 nan 0.000 0.427 80 L N 2.125 123.076 121.223 -0.453 0.000 2.263 80 L HA -0.069 4.272 4.340 0.002 0.000 0.216 80 L C 2.075 178.554 176.870 -0.652 0.000 1.111 80 L CA 1.294 55.724 54.840 -0.683 0.000 0.773 80 L CB -0.196 41.261 42.059 -1.002 0.000 0.906 80 L HN 0.439 nan 8.230 nan 0.000 0.439 81 D N -1.272 118.915 120.400 -0.355 0.000 2.289 81 D HA -0.039 4.602 4.640 0.002 0.000 0.207 81 D C 0.304 176.401 176.300 -0.338 0.000 0.966 81 D CA 0.715 54.584 54.000 -0.220 0.000 0.868 81 D CB 0.285 41.048 40.800 -0.062 0.000 0.943 81 D HN 0.234 nan 8.370 nan 0.000 0.514 82 D N -1.455 118.720 120.400 -0.376 0.000 2.752 82 D HA 0.128 4.769 4.640 0.002 0.000 0.242 82 D C -2.254 173.848 176.300 -0.330 0.000 1.295 82 D CA -1.245 52.567 54.000 -0.314 0.000 0.846 82 D CB 1.116 41.842 40.800 -0.123 0.000 1.454 82 D HN -0.200 nan 8.370 nan 0.000 0.535 83 P HA 0.039 nan 4.420 nan 0.000 0.220 83 P C 1.499 178.592 177.300 -0.345 0.000 1.148 83 P CA 0.844 63.513 63.100 -0.718 0.000 0.803 83 P CB 0.326 31.047 31.700 -1.632 0.000 0.782 84 G N -1.312 107.441 108.800 -0.078 0.000 2.535 84 G HA2 -0.102 3.859 3.960 0.002 0.000 0.218 84 G HA3 -0.102 3.859 3.960 0.002 0.000 0.218 84 G C 0.353 175.246 174.900 -0.012 0.000 1.122 84 G CA 0.589 45.690 45.100 0.000 0.000 0.769 84 G HN 0.240 nan 8.290 nan 0.000 0.549 85 T N 1.273 115.794 114.554 -0.056 0.000 2.756 85 T HA 0.461 4.812 4.350 0.002 0.000 0.290 85 T C 0.085 174.736 174.700 -0.082 0.000 0.985 85 T CA -0.363 61.713 62.100 -0.039 0.000 0.955 85 T CB 1.654 70.504 68.868 -0.029 0.000 0.930 85 T HN 0.023 nan 8.240 nan 0.000 0.451 86 I N 4.867 125.422 120.570 -0.025 0.000 2.363 86 I HA 0.029 4.200 4.170 0.002 0.000 0.292 86 I C 0.988 177.090 176.117 -0.025 0.000 1.075 86 I CA -0.532 60.746 61.300 -0.036 0.000 1.333 86 I CB 0.801 38.868 38.000 0.112 0.000 1.415 86 I HN 0.481 nan 8.210 nan 0.000 0.502 87 L N 7.902 129.055 121.223 -0.116 0.000 1.994 87 L HA -0.041 4.300 4.340 0.002 0.000 0.208 87 L C 0.520 177.478 176.870 0.146 0.000 1.071 87 L CA 1.636 56.458 54.840 -0.030 0.000 0.745 87 L CB -0.481 41.512 42.059 -0.110 0.000 0.892 87 L HN 0.661 nan 8.230 nan 0.000 0.431 88 W N -0.976 120.340 121.300 0.027 0.000 3.146 88 W HA 0.545 5.206 4.660 0.002 0.000 0.319 88 W C -1.411 175.132 176.519 0.041 0.000 1.258 88 W CA -1.018 56.348 57.345 0.035 0.000 1.189 88 W CB 0.769 30.245 29.460 0.027 0.000 1.412 88 W HN 0.132 nan 8.180 nan 0.000 0.567 89 Q N 1.345 121.414 119.800 0.450 0.000 2.345 89 Q HA 0.460 4.801 4.340 0.002 0.000 0.275 89 Q C -2.143 173.982 176.000 0.209 0.000 1.063 89 Q CA -0.708 55.204 55.803 0.182 0.000 0.819 89 Q CB 3.247 31.979 28.738 -0.010 0.000 1.356 89 Q HN 0.366 nan 8.270 nan 0.000 0.418 90 D N 1.614 122.074 120.400 0.100 0.000 2.414 90 D HA 0.262 4.903 4.640 0.002 0.000 0.232 90 D C -1.210 175.031 176.300 -0.099 0.000 1.070 90 D CA -0.399 53.628 54.000 0.045 0.000 0.839 90 D CB 1.082 41.957 40.800 0.126 0.000 1.079 90 D HN 0.391 nan 8.370 nan 0.000 0.521 91 K N 4.869 125.217 120.400 -0.087 0.000 2.484 91 K HA 0.343 4.664 4.320 0.002 0.000 0.226 91 K C -2.358 174.186 176.600 -0.093 0.000 1.031 91 K CA -1.659 54.562 56.287 -0.109 0.000 1.026 91 K CB 1.348 33.799 32.500 -0.081 0.000 1.412 91 K HN 0.341 nan 8.250 nan 0.000 0.492 92 P HA -0.024 nan 4.420 nan 0.000 0.267 92 P C -0.850 176.382 177.300 -0.113 0.000 1.200 92 P CA -0.035 63.003 63.100 -0.104 0.000 0.772 92 P CB 0.570 32.200 31.700 -0.117 0.000 0.855 93 K N 2.816 123.172 120.400 -0.073 0.000 2.281 93 K HA 0.284 4.605 4.320 0.002 0.000 0.272 93 K C -0.110 176.472 176.600 -0.030 0.000 1.048 93 K CA -0.341 55.914 56.287 -0.052 0.000 0.898 93 K CB 0.854 33.339 32.500 -0.025 0.000 1.128 93 K HN 0.444 nan 8.250 nan 0.000 0.460 94 Q N 1.378 121.166 119.800 -0.020 0.000 2.387 94 Q HA 0.223 4.564 4.340 0.002 0.000 0.273 94 Q C -0.654 175.443 176.000 0.162 0.000 1.089 94 Q CA -1.219 54.628 55.803 0.073 0.000 0.824 94 Q CB 1.685 30.485 28.738 0.104 0.000 1.367 94 Q HN 0.372 nan 8.270 nan 0.000 0.443 95 N N 3.230 122.017 118.700 0.146 0.000 2.414 95 N HA -0.009 4.732 4.740 0.002 0.000 0.268 95 N C -1.661 173.952 175.510 0.171 0.000 1.286 95 N CA -1.038 52.085 53.050 0.122 0.000 0.896 95 N CB 0.772 39.305 38.487 0.077 0.000 1.093 95 N HN 0.390 nan 8.380 nan 0.000 0.480 96 P HA -0.105 nan 4.420 nan 0.000 0.228 96 P C 0.629 177.930 177.300 0.003 0.000 1.151 96 P CA 0.664 63.840 63.100 0.126 0.000 0.770 96 P CB 0.145 31.912 31.700 0.111 0.000 0.786 97 A N 0.652 123.479 122.820 0.011 0.000 2.067 97 A HA 0.051 4.372 4.320 0.002 0.000 0.219 97 A C 2.429 179.977 177.584 -0.060 0.000 1.158 97 A CA 1.413 53.437 52.037 -0.021 0.000 0.661 97 A CB -1.203 17.794 19.000 -0.006 0.000 0.801 97 A HN 0.241 nan 8.150 nan 0.000 0.452 98 A N 0.166 122.945 122.820 -0.068 0.000 1.978 98 A HA -0.182 4.139 4.320 0.002 0.000 0.220 98 A C 2.165 179.625 177.584 -0.208 0.000 1.170 98 A CA 1.583 53.558 52.037 -0.103 0.000 0.636 98 A CB -0.432 18.548 19.000 -0.033 0.000 0.810 98 A HN 0.553 nan 8.150 nan 0.000 0.448 99 R N -0.494 119.807 120.500 -0.331 0.000 2.105 99 R HA -0.115 4.226 4.340 0.002 0.000 0.239 99 R C 2.359 178.591 176.300 -0.113 0.000 1.135 99 R CA 1.286 57.205 56.100 -0.303 0.000 0.967 99 R CB -0.450 29.664 30.300 -0.309 0.000 0.861 99 R HN 0.520 nan 8.270 nan 0.000 0.442 100 A N 0.584 123.359 122.820 -0.075 0.000 2.015 100 A HA -0.081 4.240 4.320 0.002 0.000 0.219 100 A C 1.838 179.424 177.584 0.003 0.000 1.163 100 A CA 1.418 53.447 52.037 -0.014 0.000 0.646 100 A CB -0.137 18.854 19.000 -0.014 0.000 0.806 100 A HN 0.241 nan 8.150 nan 0.000 0.448 101 V N -3.942 115.923 119.914 -0.080 0.000 3.249 101 V HA 0.677 4.798 4.120 0.002 0.000 0.338 101 V C 0.523 176.545 176.094 -0.121 0.000 1.363 101 V CA -0.135 62.054 62.300 -0.185 0.000 1.205 101 V CB -0.772 30.921 31.823 -0.216 0.000 1.164 101 V HN 0.545 nan 8.190 nan 0.000 0.458 102 A N 0.265 123.077 122.820 -0.014 0.000 2.273 102 A HA 0.506 4.827 4.320 0.002 0.000 0.320 102 A C 1.345 178.959 177.584 0.050 0.000 1.358 102 A CA 0.172 52.204 52.037 -0.009 0.000 0.910 102 A CB 0.326 19.309 19.000 -0.028 0.000 1.159 102 A HN 0.946 nan 8.150 nan 0.000 0.526 103 C N 0.777 120.113 119.300 0.059 0.000 2.398 103 C HA -0.133 4.328 4.460 0.002 0.000 0.276 103 C C 1.205 176.092 174.990 -0.170 0.000 1.222 103 C CA 1.198 60.227 59.018 0.019 0.000 1.746 103 C CB -1.618 26.088 27.740 -0.057 0.000 2.039 103 C HN 0.754 nan 8.230 nan 0.000 0.470 104 C N 1.943 121.151 119.300 -0.153 0.000 2.987 104 C HA 0.596 5.057 4.460 0.002 0.000 0.262 104 C C -0.429 174.602 174.990 0.068 0.000 1.531 104 C CA -0.316 58.637 59.018 -0.108 0.000 1.571 104 C CB -2.320 25.302 27.740 -0.198 0.000 2.381 104 C HN 0.847 nan 8.230 nan 0.000 0.519 105 D N 0.476 120.950 120.400 0.124 0.000 10.788 105 D HA -0.161 4.480 4.640 0.002 0.000 0.346 105 D C -0.213 176.205 176.300 0.196 0.000 3.133 105 D CA 0.276 54.459 54.000 0.304 0.000 2.671 105 D CB 0.078 41.065 40.800 0.312 0.000 1.209 105 D HN 0.478 nan 8.370 nan 0.000 0.941 106 L N 1.454 122.802 121.223 0.208 0.000 2.672 106 L HA 0.249 4.590 4.340 0.002 0.000 0.238 106 L C 0.976 177.941 176.870 0.159 0.000 1.392 106 L CA -0.688 54.244 54.840 0.153 0.000 1.238 106 L CB -1.179 40.971 42.059 0.152 0.000 1.548 106 L HN 0.321 nan 8.230 nan 0.000 0.423 107 V N -2.641 117.363 119.914 0.150 0.000 3.262 107 V HA 0.533 4.654 4.120 0.002 0.000 0.313 107 V C -0.021 176.172 176.094 0.164 0.000 1.070 107 V CA -0.689 61.703 62.300 0.153 0.000 1.049 107 V CB 1.918 33.861 31.823 0.201 0.000 1.157 107 V HN 0.546 nan 8.190 nan 0.000 0.454 108 N N 0.386 119.205 118.700 0.200 0.000 2.537 108 N HA 0.338 5.079 4.740 0.002 0.000 0.281 108 N C 0.072 175.778 175.510 0.326 0.000 1.097 108 N CA -0.579 52.606 53.050 0.226 0.000 0.964 108 N CB 2.357 40.983 38.487 0.231 0.000 1.588 108 N HN 0.704 nan 8.380 nan 0.000 0.511 109 R N 1.383 122.020 120.500 0.228 0.000 2.339 109 R HA 0.210 4.551 4.340 0.002 0.000 0.199 109 R C 0.915 177.362 176.300 0.246 0.000 1.018 109 R CA 0.851 57.133 56.100 0.303 0.000 1.036 109 R CB -0.050 30.273 30.300 0.039 0.000 0.899 109 R HN 0.732 nan 8.270 nan 0.000 0.473 110 G N -0.978 107.659 108.800 -0.273 0.000 2.361 110 G HA2 -0.003 3.958 3.960 0.002 0.000 0.331 110 G HA3 -0.003 3.958 3.960 0.002 0.000 0.331 110 G C -1.447 173.299 174.900 -0.256 0.000 1.324 110 G CA -1.131 43.590 45.100 -0.632 0.000 0.984 110 G HN -0.007 nan 8.290 nan 0.000 0.586 111 L N 0.088 121.264 121.223 -0.079 0.000 2.358 111 L HA 0.863 5.204 4.340 0.002 0.000 0.268 111 L C 0.873 177.847 176.870 0.173 0.000 1.032 111 L CA -0.618 54.265 54.840 0.072 0.000 0.805 111 L CB 1.721 43.854 42.059 0.123 0.000 1.253 111 L HN 1.147 nan 8.230 nan 0.000 0.452 112 A N 0.678 123.594 122.820 0.160 0.000 2.387 112 A HA 0.763 5.084 4.320 0.002 0.000 0.303 112 A C -1.907 175.800 177.584 0.205 0.000 1.145 112 A CA -0.379 51.776 52.037 0.196 0.000 0.801 112 A CB 1.628 20.730 19.000 0.170 0.000 1.342 112 A HN 0.601 nan 8.150 nan 0.000 0.440 113 Y N -1.056 119.278 120.300 0.057 0.000 2.504 113 Y HA 0.554 5.105 4.550 0.002 0.000 0.344 113 Y C -1.909 174.069 175.900 0.130 0.000 1.023 113 Y CA -1.022 57.101 58.100 0.039 0.000 1.020 113 Y CB 1.708 40.156 38.460 -0.020 0.000 1.282 113 Y HN 0.830 nan 8.280 nan 0.000 0.454 114 W N 9.914 130.778 121.300 -0.726 0.000 2.619 114 W HA 0.505 5.166 4.660 0.002 0.000 0.327 114 W C -2.322 173.695 176.519 -0.838 0.000 1.027 114 W CA -2.761 54.256 57.345 -0.546 0.000 1.233 114 W CB 2.016 31.313 29.460 -0.272 0.000 1.370 114 W HN 0.432 nan 8.180 nan 0.000 0.453 115 P HA -0.005 nan 4.420 nan 0.000 0.217 115 P C 0.373 177.132 177.300 -0.901 0.000 1.148 115 P CA 2.508 65.118 63.100 -0.817 0.000 0.828 115 P CB 0.104 31.496 31.700 -0.513 0.000 0.783 116 G N -0.303 107.439 108.800 -1.763 0.000 2.719 116 G HA2 -0.119 3.842 3.960 0.002 0.000 0.686 116 G HA3 -0.119 3.842 3.960 0.002 0.000 0.686 116 G C 0.122 174.536 174.900 -0.811 0.000 1.201 116 G CA -0.040 44.229 45.100 -1.385 0.000 0.768 116 G HN 0.269 nan 8.290 nan 0.000 0.629 117 D N 0.836 121.028 120.400 -0.347 0.000 2.527 117 D HA 0.318 4.959 4.640 0.002 0.000 0.249 117 D C 1.672 177.949 176.300 -0.038 0.000 1.029 117 D CA 1.578 55.523 54.000 -0.091 0.000 0.951 117 D CB 0.201 41.079 40.800 0.130 0.000 1.093 117 D HN 1.641 nan 8.370 nan 0.000 0.464 118 G N -0.085 108.729 108.800 0.024 0.000 4.286 118 G HA2 -0.094 3.867 3.960 0.002 0.000 0.204 118 G HA3 -0.094 3.867 3.960 0.002 0.000 0.204 118 G C 1.309 176.235 174.900 0.043 0.000 1.218 118 G CA 0.046 45.157 45.100 0.019 0.000 1.010 118 G HN 0.080 nan 8.290 nan 0.000 0.384 119 K N 0.834 121.274 120.400 0.067 0.000 2.097 119 K HA 0.061 4.382 4.320 0.002 0.000 0.205 119 K C 0.181 176.835 176.600 0.090 0.000 1.050 119 K CA 1.147 57.475 56.287 0.068 0.000 0.938 119 K CB -0.304 32.237 32.500 0.068 0.000 0.718 119 K HN 0.371 nan 8.250 nan 0.000 0.442 120 T N 3.542 118.186 114.554 0.150 0.000 2.824 120 T HA 0.326 4.677 4.350 0.002 0.000 0.280 120 T C -2.432 172.386 174.700 0.198 0.000 0.995 120 T CA -1.494 60.728 62.100 0.204 0.000 1.009 120 T CB 2.165 71.222 68.868 0.315 0.000 0.955 120 T HN 0.132 nan 8.240 nan 0.000 0.452 121 P HA 0.397 nan 4.420 nan 0.000 0.277 121 P C -0.713 176.643 177.300 0.093 0.000 1.271 121 P CA -0.625 62.523 63.100 0.080 0.000 0.795 121 P CB 0.539 32.270 31.700 0.053 0.000 1.101 122 A N 1.102 123.918 122.820 -0.006 0.000 2.511 122 A HA 0.355 4.676 4.320 0.002 0.000 0.242 122 A C 0.147 177.736 177.584 0.009 0.000 1.069 122 A CA 0.137 52.117 52.037 -0.095 0.000 0.763 122 A CB -0.815 18.170 19.000 -0.024 0.000 1.001 122 A HN 0.470 nan 8.150 nan 0.000 0.498 123 L N 2.602 123.815 121.223 -0.016 0.000 2.354 123 L HA 0.502 4.843 4.340 0.002 0.000 0.269 123 L C -0.566 176.287 176.870 -0.028 0.000 1.005 123 L CA -0.800 54.043 54.840 0.005 0.000 0.819 123 L CB 1.769 43.858 42.059 0.050 0.000 1.311 123 L HN 0.481 nan 8.230 nan 0.000 0.423 124 I N 3.489 124.048 120.570 -0.019 0.000 2.339 124 I HA 0.383 4.554 4.170 0.002 0.000 0.290 124 I C -0.320 175.762 176.117 -0.057 0.000 0.994 124 I CA -0.302 61.005 61.300 0.011 0.000 1.191 124 I CB 1.598 39.638 38.000 0.067 0.000 1.343 124 I HN 0.405 nan 8.210 nan 0.000 0.458 125 L N 7.889 129.091 121.223 -0.035 0.000 2.317 125 L HA 0.521 4.862 4.340 0.002 0.000 0.281 125 L C 0.060 176.907 176.870 -0.038 0.000 1.024 125 L CA -0.441 54.339 54.840 -0.099 0.000 0.810 125 L CB 1.229 43.252 42.059 -0.059 0.000 1.240 125 L HN 0.565 nan 8.230 nan 0.000 0.427 126 K N 0.319 120.672 120.400 -0.079 0.000 2.512 126 K HA 0.814 5.135 4.320 0.002 0.000 0.263 126 K C -1.075 175.505 176.600 -0.033 0.000 0.966 126 K CA -0.817 55.454 56.287 -0.026 0.000 0.851 126 K CB 2.099 34.597 32.500 -0.004 0.000 1.395 126 K HN 0.496 nan 8.250 nan 0.000 0.440 127 T N -1.081 113.477 114.554 0.007 0.000 2.912 127 T HA 0.413 4.764 4.350 0.002 0.000 0.288 127 T C -0.553 174.169 174.700 0.036 0.000 1.030 127 T CA -0.867 61.244 62.100 0.020 0.000 1.020 127 T CB 1.597 70.492 68.868 0.046 0.000 1.056 127 T HN 0.605 nan 8.240 nan 0.000 0.480 128 Q N 1.251 121.077 119.800 0.043 0.000 2.377 128 Q HA 0.383 4.724 4.340 0.002 0.000 0.271 128 Q C 0.735 176.804 176.000 0.115 0.000 1.077 128 Q CA -1.039 54.805 55.803 0.069 0.000 0.820 128 Q CB 2.618 31.380 28.738 0.041 0.000 1.347 128 Q HN 0.522 nan 8.270 nan 0.000 0.444 129 L N 2.275 123.614 121.223 0.194 0.000 2.129 129 L HA -0.198 4.143 4.340 0.002 0.000 0.212 129 L C 1.212 178.173 176.870 0.151 0.000 1.087 129 L CA 2.360 57.323 54.840 0.205 0.000 0.757 129 L CB -0.326 41.949 42.059 0.360 0.000 0.896 129 L HN 0.893 nan 8.230 nan 0.000 0.434 130 D N -1.442 119.065 120.400 0.179 0.000 2.336 130 D HA 0.062 4.703 4.640 0.002 0.000 0.229 130 D C 1.412 177.761 176.300 0.082 0.000 1.061 130 D CA 0.888 54.962 54.000 0.125 0.000 0.875 130 D CB -0.037 40.851 40.800 0.146 0.000 0.904 130 D HN 0.430 nan 8.370 nan 0.000 0.525 131 G N -0.419 108.426 108.800 0.076 0.000 2.195 131 G HA2 -0.248 3.713 3.960 0.002 0.000 0.224 131 G HA3 -0.248 3.713 3.960 0.002 0.000 0.224 131 G C 0.071 175.006 174.900 0.058 0.000 0.990 131 G CA -0.225 44.916 45.100 0.068 0.000 0.639 131 G HN 0.402 nan 8.290 nan 0.000 0.514 132 N N 0.091 118.817 118.700 0.044 0.000 2.524 132 N HA 0.532 5.273 4.740 0.002 0.000 0.283 132 N C -0.252 175.257 175.510 -0.002 0.000 1.142 132 N CA 0.080 53.143 53.050 0.021 0.000 0.984 132 N CB 2.031 40.526 38.487 0.012 0.000 1.155 132 N HN 0.123 nan 8.380 nan 0.000 0.467 133 V N 0.847 120.745 119.914 -0.026 0.000 2.487 133 V HA 0.698 4.819 4.120 0.002 0.000 0.298 133 V C -0.140 175.880 176.094 -0.124 0.000 1.028 133 V CA -0.800 61.462 62.300 -0.064 0.000 0.860 133 V CB 1.249 33.015 31.823 -0.094 0.000 0.991 133 V HN 0.792 nan 8.190 nan 0.000 0.427 134 A N 3.662 126.324 122.820 -0.264 0.000 2.401 134 A HA 0.984 5.305 4.320 0.002 0.000 0.310 134 A C -0.350 176.793 177.584 -0.736 0.000 1.075 134 A CA -0.459 51.296 52.037 -0.469 0.000 0.746 134 A CB 1.867 20.707 19.000 -0.266 0.000 1.277 134 A HN 1.367 nan 8.150 nan 0.000 0.425 135 A N 1.518 123.658 122.820 -1.133 0.000 2.304 135 A HA 0.680 5.001 4.320 0.002 0.000 0.314 135 A C -1.103 176.124 177.584 -0.594 0.000 1.187 135 A CA -0.286 51.144 52.037 -1.013 0.000 0.810 135 A CB 0.201 18.174 19.000 -1.712 0.000 1.183 135 A HN 0.677 nan 8.150 nan 0.000 0.487 136 L N 1.906 122.915 121.223 -0.357 0.000 2.334 136 L HA 0.407 4.748 4.340 0.002 0.000 0.273 136 L C 0.599 177.330 176.870 -0.231 0.000 1.013 136 L CA -0.589 54.078 54.840 -0.290 0.000 0.816 136 L CB 1.339 43.251 42.059 -0.244 0.000 1.278 136 L HN 0.777 nan 8.230 nan 0.000 0.431 137 N N 1.465 120.004 118.700 -0.268 0.000 2.427 137 N HA 0.035 4.776 4.740 0.002 0.000 0.269 137 N C 0.872 176.297 175.510 -0.142 0.000 1.235 137 N CA 0.490 53.433 53.050 -0.179 0.000 0.934 137 N CB 1.462 39.833 38.487 -0.193 0.000 1.121 137 N HN 0.783 nan 8.380 nan 0.000 0.480 138 A N 3.883 126.732 122.820 0.048 0.000 2.032 138 A HA -0.189 4.132 4.320 0.002 0.000 0.221 138 A C 1.875 179.735 177.584 0.460 0.000 1.165 138 A CA 1.617 53.818 52.037 0.272 0.000 0.645 138 A CB -0.217 18.957 19.000 0.291 0.000 0.807 138 A HN 0.869 nan 8.150 nan 0.000 0.453 139 E N -1.530 118.805 120.200 0.224 0.000 2.251 139 E HA -0.063 4.288 4.350 0.002 0.000 0.194 139 E C 1.938 178.605 176.600 0.113 0.000 0.964 139 E CA 1.078 57.634 56.400 0.260 0.000 0.868 139 E CB 0.248 30.037 29.700 0.148 0.000 0.828 139 E HN 0.724 nan 8.360 nan 0.000 0.481 140 T N -4.144 110.284 114.554 -0.211 0.000 3.000 140 T HA 0.274 4.625 4.350 0.002 0.000 0.248 140 T C 1.510 175.606 174.700 -1.006 0.000 1.034 140 T CA 0.685 62.559 62.100 -0.376 0.000 1.060 140 T CB 0.826 69.566 68.868 -0.213 0.000 0.983 140 T HN 0.233 nan 8.240 nan 0.000 0.482 141 G N 2.333 110.261 108.800 -1.454 0.000 2.176 141 G HA2 -0.247 3.714 3.960 0.002 0.000 0.253 141 G HA3 -0.247 3.714 3.960 0.002 0.000 0.253 141 G C -0.134 174.266 174.900 -0.832 0.000 0.979 141 G CA 0.232 44.127 45.100 -2.008 0.000 0.641 141 G HN 1.024 nan 8.290 nan 0.000 0.530 142 E N 0.651 120.542 120.200 -0.515 0.000 2.373 142 E HA 0.505 4.856 4.350 0.002 0.000 0.263 142 E C -0.352 176.087 176.600 -0.268 0.000 1.073 142 E CA -0.215 56.005 56.400 -0.299 0.000 0.894 142 E CB 0.631 30.211 29.700 -0.199 0.000 1.008 142 E HN 0.060 nan 8.360 nan 0.000 0.420 143 T N 2.239 116.672 114.554 -0.201 0.000 2.779 143 T HA 0.083 4.434 4.350 0.002 0.000 0.296 143 T C 1.063 175.669 174.700 -0.157 0.000 0.938 143 T CA -0.538 61.445 62.100 -0.195 0.000 1.119 143 T CB 1.088 69.867 68.868 -0.149 0.000 0.891 143 T HN 0.389 nan 8.240 nan 0.000 0.526 144 V N 3.261 123.052 119.914 -0.205 0.000 2.500 144 V HA 0.186 4.307 4.120 0.002 0.000 0.243 144 V C 0.568 176.679 176.094 0.028 0.000 1.039 144 V CA 0.810 63.047 62.300 -0.105 0.000 1.053 144 V CB -0.143 31.607 31.823 -0.121 0.000 0.695 144 V HN 0.928 nan 8.190 nan 0.000 0.463 145 W N -0.659 120.582 121.300 -0.098 0.000 3.146 145 W HA 0.696 5.357 4.660 0.002 0.000 0.319 145 W C -1.311 175.139 176.519 -0.116 0.000 1.258 145 W CA -1.060 56.223 57.345 -0.103 0.000 1.189 145 W CB 1.660 31.051 29.460 -0.116 0.000 1.412 145 W HN -0.114 nan 8.180 nan 0.000 0.567 146 K N 2.045 122.646 120.400 0.335 0.000 2.553 146 K HA 0.539 4.860 4.320 0.002 0.000 0.250 146 K C -1.602 175.115 176.600 0.195 0.000 0.953 146 K CA -0.476 55.923 56.287 0.187 0.000 0.800 146 K CB 2.576 35.087 32.500 0.020 0.000 1.243 146 K HN 0.595 nan 8.250 nan 0.000 0.435 147 V N -0.339 119.672 119.914 0.162 0.000 3.040 147 V HA 0.571 4.692 4.120 0.002 0.000 0.312 147 V C -0.866 175.232 176.094 0.008 0.000 1.115 147 V CA -0.978 61.344 62.300 0.036 0.000 0.998 147 V CB 1.845 33.617 31.823 -0.084 0.000 1.042 147 V HN 0.824 nan 8.190 nan 0.000 0.433 148 E N 1.668 121.885 120.200 0.028 0.000 2.194 148 E HA 0.295 4.646 4.350 0.002 0.000 0.284 148 E C 0.006 176.667 176.600 0.102 0.000 1.035 148 E CA 0.101 56.534 56.400 0.055 0.000 0.836 148 E CB 1.390 31.122 29.700 0.055 0.000 1.070 148 E HN 0.834 nan 8.360 nan 0.000 0.401 149 N N 1.347 120.120 118.700 0.122 0.000 2.564 149 N HA 0.016 4.757 4.740 0.002 0.000 0.202 149 N C -0.507 175.151 175.510 0.247 0.000 1.052 149 N CA 0.200 53.382 53.050 0.220 0.000 0.872 149 N CB 0.811 39.415 38.487 0.195 0.000 1.303 149 N HN 0.162 nan 8.380 nan 0.000 0.440 150 S N -0.237 115.564 115.700 0.169 0.000 2.526 150 S HA 0.272 4.743 4.470 0.002 0.000 0.293 150 S C -1.751 172.918 174.600 0.115 0.000 1.092 150 S CA -0.711 57.593 58.200 0.173 0.000 0.980 150 S CB 1.854 65.121 63.200 0.112 0.000 1.048 150 S HN 0.271 nan 8.310 nan 0.000 0.483 151 D N 1.616 122.081 120.400 0.108 0.000 2.392 151 D HA 0.297 4.938 4.640 0.002 0.000 0.228 151 D C 1.261 177.585 176.300 0.041 0.000 1.074 151 D CA -0.835 53.204 54.000 0.065 0.000 0.838 151 D CB 0.472 41.305 40.800 0.055 0.000 1.067 151 D HN 0.515 nan 8.370 nan 0.000 0.511 152 I N 1.115 121.700 120.570 0.024 0.000 2.454 152 I HA -0.126 4.045 4.170 0.002 0.000 0.254 152 I C 1.502 177.603 176.117 -0.026 0.000 1.156 152 I CA 0.675 61.972 61.300 -0.005 0.000 1.433 152 I CB -0.076 37.920 38.000 -0.006 0.000 1.082 152 I HN 0.166 nan 8.210 nan 0.000 0.432 153 K N 0.919 121.310 120.400 -0.015 0.000 2.360 153 K HA -0.015 4.306 4.320 0.002 0.000 0.201 153 K C 1.509 178.084 176.600 -0.042 0.000 1.046 153 K CA 1.064 57.334 56.287 -0.029 0.000 0.940 153 K CB 0.096 32.586 32.500 -0.016 0.000 0.748 153 K HN 0.319 nan 8.250 nan 0.000 0.465 154 V N -0.863 119.037 119.914 -0.024 0.000 3.578 154 V HA 0.171 4.292 4.120 0.002 0.000 0.290 154 V C 1.034 177.108 176.094 -0.034 0.000 1.376 154 V CA 0.639 62.927 62.300 -0.020 0.000 1.083 154 V CB 0.694 32.532 31.823 0.026 0.000 0.911 154 V HN 0.538 nan 8.190 nan 0.000 0.433 155 G N 0.341 109.102 108.800 -0.065 0.000 2.194 155 G HA2 -0.247 3.714 3.960 0.002 0.000 0.236 155 G HA3 -0.247 3.714 3.960 0.002 0.000 0.236 155 G C 0.484 175.347 174.900 -0.062 0.000 0.987 155 G CA 0.319 45.352 45.100 -0.113 0.000 0.635 155 G HN 0.506 nan 8.290 nan 0.000 0.520 156 S N 1.560 117.262 115.700 0.004 0.000 2.474 156 S HA 0.645 5.116 4.470 0.002 0.000 0.276 156 S C 0.758 175.370 174.600 0.021 0.000 1.227 156 S CA 1.015 59.237 58.200 0.036 0.000 1.050 156 S CB 0.528 63.796 63.200 0.113 0.000 0.939 156 S HN 1.211 nan 8.310 nan 0.000 0.490 157 T N 2.845 117.401 114.554 0.004 0.000 2.724 157 T HA 0.731 5.082 4.350 0.002 0.000 0.274 157 T C -0.706 174.006 174.700 0.020 0.000 0.984 157 T CA -0.956 61.151 62.100 0.011 0.000 1.024 157 T CB 0.744 69.606 68.868 -0.011 0.000 1.320 157 T HN 0.478 nan 8.240 nan 0.000 0.555 158 L N 0.899 122.145 121.223 0.039 0.000 2.436 158 L HA 0.566 4.907 4.340 0.002 0.000 0.268 158 L C 0.460 177.372 176.870 0.069 0.000 0.974 158 L CA -0.676 54.193 54.840 0.050 0.000 0.826 158 L CB 2.671 44.763 42.059 0.054 0.000 1.291 158 L HN 1.177 nan 8.230 nan 0.000 0.406 159 T N -1.062 113.537 114.554 0.076 0.000 3.028 159 T HA 0.261 4.612 4.350 0.002 0.000 0.262 159 T C 0.619 175.380 174.700 0.100 0.000 0.916 159 T CA -0.086 62.072 62.100 0.097 0.000 0.873 159 T CB 0.549 69.469 68.868 0.086 0.000 1.232 159 T HN 0.268 nan 8.240 nan 0.000 0.529 160 I N 2.594 123.219 120.570 0.091 0.000 2.938 160 I HA 0.517 4.688 4.170 0.002 0.000 0.285 160 I C 0.510 176.666 176.117 0.064 0.000 1.182 160 I CA -0.602 60.724 61.300 0.042 0.000 1.388 160 I CB 0.930 38.957 38.000 0.045 0.000 1.390 160 I HN 0.418 nan 8.210 nan 0.000 0.600 161 A N 7.423 130.286 122.820 0.071 0.000 2.304 161 A HA 0.649 4.970 4.320 0.002 0.000 0.301 161 A C -2.474 175.257 177.584 0.246 0.000 1.132 161 A CA -1.433 50.700 52.037 0.160 0.000 0.819 161 A CB 0.379 19.534 19.000 0.258 0.000 1.094 161 A HN 0.478 nan 8.150 nan 0.000 0.492 162 P HA 0.312 nan 4.420 nan 0.000 0.273 162 P C -1.324 176.175 177.300 0.331 0.000 1.250 162 P CA 0.227 63.450 63.100 0.206 0.000 0.793 162 P CB 0.258 32.032 31.700 0.122 0.000 1.011 163 Y N -0.117 120.194 120.300 0.018 0.000 2.361 163 Y HA 0.394 4.945 4.550 0.002 0.000 0.328 163 Y C -1.191 174.695 175.900 -0.023 0.000 1.044 163 Y CA -0.854 57.248 58.100 0.004 0.000 1.085 163 Y CB 1.338 39.652 38.460 -0.243 0.000 1.194 163 Y HN -0.024 nan 8.280 nan 0.000 0.438 164 V N 6.656 126.474 119.914 -0.160 0.000 2.383 164 V HA 0.554 4.675 4.120 0.002 0.000 0.275 164 V C -0.684 175.333 176.094 -0.127 0.000 1.036 164 V CA -0.684 61.566 62.300 -0.083 0.000 0.889 164 V CB 1.227 33.084 31.823 0.057 0.000 0.985 164 V HN 0.529 nan 8.190 nan 0.000 0.459 165 V N 5.838 125.661 119.914 -0.153 0.000 2.531 165 V HA 0.506 4.627 4.120 0.002 0.000 0.301 165 V C 0.497 176.504 176.094 -0.146 0.000 1.034 165 V CA -0.766 61.351 62.300 -0.305 0.000 0.865 165 V CB 1.281 32.749 31.823 -0.591 0.000 0.995 165 V HN 0.974 nan 8.190 nan 0.000 0.424 166 K N 2.605 122.974 120.400 -0.052 0.000 1.692 166 K HA -0.270 4.051 4.320 0.002 0.000 0.132 166 K C -0.168 176.524 176.600 0.153 0.000 1.028 166 K CA 2.113 58.435 56.287 0.060 0.000 0.304 166 K CB -0.578 31.931 32.500 0.014 0.000 0.686 166 K HN 0.774 nan 8.250 nan 0.000 0.815 167 D N 2.015 122.463 120.400 0.079 0.000 2.772 167 D HA 0.274 4.915 4.640 0.002 0.000 0.272 167 D C -0.962 175.244 176.300 -0.156 0.000 1.314 167 D CA 0.165 54.176 54.000 0.018 0.000 0.835 167 D CB 0.399 41.236 40.800 0.062 0.000 1.080 167 D HN 0.133 nan 8.370 nan 0.000 0.482 168 K N -0.512 119.808 120.400 -0.133 0.000 2.482 168 K HA 0.669 4.990 4.320 0.002 0.000 0.257 168 K C -1.036 175.483 176.600 -0.135 0.000 0.969 168 K CA -1.041 55.150 56.287 -0.160 0.000 0.842 168 K CB 3.016 35.426 32.500 -0.149 0.000 1.359 168 K HN -0.248 nan 8.250 nan 0.000 0.441 169 V N 2.682 122.536 119.914 -0.100 0.000 2.459 169 V HA 0.389 4.510 4.120 0.002 0.000 0.295 169 V C -0.419 175.627 176.094 -0.081 0.000 1.029 169 V CA -0.965 61.316 62.300 -0.032 0.000 0.874 169 V CB 1.482 33.359 31.823 0.090 0.000 0.985 169 V HN 0.579 nan 8.190 nan 0.000 0.438 170 I N 5.734 126.227 120.570 -0.128 0.000 2.321 170 I HA 0.437 4.608 4.170 0.002 0.000 0.291 170 I C -0.398 175.663 176.117 -0.095 0.000 0.998 170 I CA -0.442 60.709 61.300 -0.247 0.000 1.227 170 I CB 1.393 39.114 38.000 -0.465 0.000 1.368 170 I HN 0.337 nan 8.210 nan 0.000 0.466 171 I N 5.430 125.980 120.570 -0.033 0.000 2.378 171 I HA 0.414 4.585 4.170 0.002 0.000 0.291 171 I C 0.979 177.103 176.117 0.012 0.000 0.992 171 I CA -0.188 61.151 61.300 0.066 0.000 1.154 171 I CB 1.188 39.288 38.000 0.167 0.000 1.315 171 I HN 0.603 nan 8.210 nan 0.000 0.448 172 G N 4.792 113.628 108.800 0.061 0.000 2.580 172 G HA2 0.543 4.504 3.960 0.002 0.000 0.225 172 G HA3 0.543 4.504 3.960 0.002 0.000 0.225 172 G C -0.358 174.457 174.900 -0.141 0.000 1.521 172 G CA 0.012 45.090 45.100 -0.037 0.000 1.068 172 G HN 0.717 nan 8.290 nan 0.000 0.564 173 S N -2.967 112.666 115.700 -0.111 0.000 2.567 173 S HA 0.691 5.162 4.470 0.002 0.000 0.270 173 S C -1.061 173.552 174.600 0.023 0.000 1.152 173 S CA -0.661 57.439 58.200 -0.167 0.000 0.835 173 S CB 1.710 64.596 63.200 -0.523 0.000 1.115 173 S HN 0.824 nan 8.310 nan 0.000 0.459 174 S N -0.550 115.156 115.700 0.009 0.000 2.546 174 S HA 0.916 5.387 4.470 0.002 0.000 0.274 174 S C 0.454 175.056 174.600 0.004 0.000 1.121 174 S CA -0.205 58.007 58.200 0.021 0.000 0.887 174 S CB 1.609 64.776 63.200 -0.055 0.000 1.094 174 S HN 2.161 nan 8.310 nan 0.000 0.474 175 G N 0.191 108.994 108.800 0.006 0.000 2.870 175 G HA2 0.062 4.023 3.960 0.002 0.000 0.216 175 G HA3 0.062 4.023 3.960 0.002 0.000 0.216 175 G C 0.860 175.818 174.900 0.096 0.000 0.973 175 G CA 0.408 45.521 45.100 0.021 0.000 0.807 175 G HN 0.962 nan 8.290 nan 0.000 0.573 176 A N 0.621 123.539 122.820 0.163 0.000 1.997 176 A HA 0.014 4.335 4.320 0.002 0.000 0.221 176 A C 1.849 179.611 177.584 0.297 0.000 1.172 176 A CA 2.394 54.585 52.037 0.258 0.000 0.645 176 A CB -0.258 18.929 19.000 0.311 0.000 0.813 176 A HN 0.402 nan 8.150 nan 0.000 0.454 177 E N -1.278 119.067 120.200 0.242 0.000 2.472 177 E HA 0.029 4.380 4.350 0.002 0.000 0.200 177 E C 0.216 176.940 176.600 0.208 0.000 1.046 177 E CA 0.511 57.062 56.400 0.252 0.000 0.871 177 E CB -0.039 29.803 29.700 0.238 0.000 0.806 177 E HN 0.526 nan 8.360 nan 0.000 0.533 178 L N -1.321 119.981 121.223 0.131 0.000 3.288 178 L HA 0.361 4.702 4.340 0.002 0.000 0.293 178 L C 0.866 177.876 176.870 0.234 0.000 1.294 178 L CA 0.051 54.928 54.840 0.061 0.000 1.006 178 L CB 0.767 42.691 42.059 -0.225 0.000 1.407 178 L HN 0.038 nan 8.230 nan 0.000 0.592 179 G N 0.169 109.196 108.800 0.379 0.000 2.305 179 G HA2 -0.245 3.716 3.960 0.002 0.000 0.287 179 G HA3 -0.245 3.716 3.960 0.002 0.000 0.287 179 G C 0.166 175.168 174.900 0.169 0.000 1.036 179 G CA 0.340 45.636 45.100 0.327 0.000 0.887 179 G HN 0.177 nan 8.290 nan 0.000 0.505 180 V N 0.667 120.692 119.914 0.184 0.000 2.461 180 V HA 0.291 4.412 4.120 0.002 0.000 0.275 180 V C 1.274 177.488 176.094 0.201 0.000 1.047 180 V CA -0.535 61.865 62.300 0.168 0.000 0.955 180 V CB 1.395 33.312 31.823 0.156 0.000 0.988 180 V HN 0.523 nan 8.190 nan 0.000 0.471 181 R N 3.975 124.598 120.500 0.205 0.000 2.351 181 R HA 0.317 4.658 4.340 0.002 0.000 0.318 181 R C 0.591 177.130 176.300 0.398 0.000 1.055 181 R CA -0.083 56.176 56.100 0.266 0.000 0.968 181 R CB 0.393 30.835 30.300 0.237 0.000 0.974 181 R HN 0.909 nan 8.270 nan 0.000 0.439 182 G N 3.587 112.591 108.800 0.339 0.000 2.491 182 G HA2 0.208 4.169 3.960 0.002 0.000 0.238 182 G HA3 0.208 4.169 3.960 0.002 0.000 0.238 182 G C -1.167 173.918 174.900 0.308 0.000 1.277 182 G CA -0.166 45.095 45.100 0.268 0.000 0.851 182 G HN 0.742 nan 8.290 nan 0.000 0.573 183 Y N -0.494 119.793 120.300 -0.022 0.000 2.465 183 Y HA 0.551 5.102 4.550 0.002 0.000 0.323 183 Y C -0.991 174.802 175.900 -0.178 0.000 1.191 183 Y CA -1.843 56.108 58.100 -0.248 0.000 1.082 183 Y CB 0.627 38.664 38.460 -0.705 0.000 1.334 183 Y HN 0.711 nan 8.280 nan 0.000 0.449 184 L N 1.111 122.261 121.223 -0.122 0.000 2.334 184 L HA 1.063 5.404 4.340 0.002 0.000 0.273 184 L C -0.968 175.796 176.870 -0.177 0.000 1.013 184 L CA -0.703 54.029 54.840 -0.179 0.000 0.816 184 L CB 2.440 44.363 42.059 -0.227 0.000 1.278 184 L HN 0.770 nan 8.230 nan 0.000 0.431 185 T N 1.564 115.939 114.554 -0.298 0.000 2.893 185 T HA 0.776 5.127 4.350 0.002 0.000 0.291 185 T C -0.491 173.689 174.700 -0.866 0.000 1.028 185 T CA -0.498 61.263 62.100 -0.566 0.000 0.995 185 T CB 1.836 70.426 68.868 -0.463 0.000 1.051 185 T HN 0.886 nan 8.240 nan 0.000 0.470 186 A N 2.375 124.389 122.820 -1.343 0.000 2.303 186 A HA 0.789 5.110 4.320 0.002 0.000 0.320 186 A C -1.470 175.559 177.584 -0.925 0.000 1.192 186 A CA -0.599 50.714 52.037 -1.206 0.000 0.821 186 A CB 0.376 18.223 19.000 -1.922 0.000 1.188 186 A HN 0.783 nan 8.150 nan 0.000 0.492 187 Y N 0.378 120.419 120.300 -0.433 0.000 2.567 187 Y HA 0.381 4.932 4.550 0.002 0.000 0.333 187 Y C 0.393 176.082 175.900 -0.352 0.000 1.106 187 Y CA -0.754 57.121 58.100 -0.374 0.000 1.157 187 Y CB 1.290 39.539 38.460 -0.351 0.000 1.277 187 Y HN 0.663 nan 8.280 nan 0.000 0.490 188 D N 1.310 121.581 120.400 -0.214 0.000 2.338 188 D HA -0.012 4.629 4.640 0.002 0.000 0.255 188 D C 0.948 177.055 176.300 -0.321 0.000 1.237 188 D CA 0.406 54.248 54.000 -0.263 0.000 0.883 188 D CB 1.591 42.230 40.800 -0.268 0.000 1.087 188 D HN 0.525 nan 8.370 nan 0.000 0.485 189 V N 5.335 125.065 119.914 -0.307 0.000 2.439 189 V HA -0.265 3.856 4.120 0.002 0.000 0.253 189 V C 2.140 178.083 176.094 -0.253 0.000 1.074 189 V CA 1.897 64.011 62.300 -0.311 0.000 1.076 189 V CB -0.146 31.195 31.823 -0.803 0.000 0.664 189 V HN 0.531 nan 8.190 nan 0.000 0.461 190 K N -0.490 119.667 120.400 -0.405 0.000 2.076 190 K HA -0.063 4.258 4.320 0.002 0.000 0.204 190 K C 1.935 178.433 176.600 -0.171 0.000 1.051 190 K CA 1.856 57.984 56.287 -0.265 0.000 0.949 190 K CB -0.175 32.182 32.500 -0.238 0.000 0.726 190 K HN 0.719 nan 8.250 nan 0.000 0.443 191 T N -4.592 109.717 114.554 -0.408 0.000 2.959 191 T HA 0.232 4.583 4.350 0.002 0.000 0.254 191 T C 1.266 175.355 174.700 -1.018 0.000 1.003 191 T CA 0.463 62.258 62.100 -0.508 0.000 0.950 191 T CB 1.043 69.729 68.868 -0.303 0.000 1.090 191 T HN 0.292 nan 8.240 nan 0.000 0.503 192 G N 1.674 109.579 108.800 -1.492 0.000 2.157 192 G HA2 -0.257 3.704 3.960 0.002 0.000 0.248 192 G HA3 -0.257 3.704 3.960 0.002 0.000 0.248 192 G C -0.173 174.325 174.900 -0.669 0.000 0.979 192 G CA 0.195 44.216 45.100 -1.798 0.000 0.650 192 G HN 0.901 nan 8.290 nan 0.000 0.529 193 E N 0.667 120.599 120.200 -0.447 0.000 2.344 193 E HA 0.361 4.712 4.350 0.002 0.000 0.270 193 E C 0.549 177.054 176.600 -0.160 0.000 1.021 193 E CA -0.397 55.866 56.400 -0.229 0.000 0.887 193 E CB 0.283 29.860 29.700 -0.206 0.000 0.997 193 E HN 0.422 nan 8.360 nan 0.000 0.429 194 Q N 3.642 123.359 119.800 -0.138 0.000 2.286 194 Q HA 0.061 4.402 4.340 0.002 0.000 0.267 194 Q C 0.091 175.925 176.000 -0.276 0.000 1.028 194 Q CA -0.401 55.209 55.803 -0.322 0.000 0.901 194 Q CB 1.111 29.675 28.738 -0.290 0.000 1.183 194 Q HN 0.613 nan 8.270 nan 0.000 0.392 195 V N 5.672 125.373 119.914 -0.355 0.000 2.436 195 V HA 0.149 4.270 4.120 0.002 0.000 0.240 195 V C 0.367 176.427 176.094 -0.057 0.000 1.040 195 V CA 0.783 62.968 62.300 -0.191 0.000 1.052 195 V CB -0.129 31.583 31.823 -0.186 0.000 0.707 195 V HN 0.856 nan 8.190 nan 0.000 0.469 196 W N -0.099 121.067 121.300 -0.224 0.000 3.167 196 W HA 0.742 5.403 4.660 0.001 0.000 0.324 196 W C -0.962 175.424 176.519 -0.223 0.000 1.230 196 W CA -0.999 56.235 57.345 -0.186 0.000 1.184 196 W CB 1.785 31.159 29.460 -0.144 0.000 1.414 196 W HN -0.023 nan 8.180 nan 0.000 0.551 197 R N 1.812 122.428 120.500 0.194 0.000 2.515 197 R HA 0.635 4.976 4.340 0.002 0.000 0.291 197 R C -1.615 174.747 176.300 0.104 0.000 1.046 197 R CA -0.258 55.867 56.100 0.041 0.000 0.914 197 R CB 1.693 31.912 30.300 -0.135 0.000 1.191 197 R HN 0.695 nan 8.270 nan 0.000 0.435 198 A N 4.027 126.917 122.820 0.116 0.000 2.350 198 A HA 0.622 4.943 4.320 0.002 0.000 0.324 198 A C -1.565 175.977 177.584 -0.069 0.000 1.118 198 A CA -0.536 51.531 52.037 0.050 0.000 0.783 198 A CB 0.714 19.721 19.000 0.012 0.000 1.236 198 A HN 0.652 nan 8.150 nan 0.000 0.457 199 Y N 0.400 120.734 120.300 0.057 0.000 2.488 199 Y HA 0.504 5.055 4.550 0.002 0.000 0.325 199 Y C 1.272 177.213 175.900 0.068 0.000 1.204 199 Y CA 0.208 58.375 58.100 0.111 0.000 1.229 199 Y CB 1.847 40.366 38.460 0.099 0.000 1.274 199 Y HN 0.699 nan 8.280 nan 0.000 0.493 200 A N 0.140 123.151 122.820 0.317 0.000 2.267 200 A HA 0.252 4.573 4.320 0.002 0.000 0.213 200 A C 0.494 178.340 177.584 0.436 0.000 1.192 200 A CA 0.917 53.149 52.037 0.324 0.000 0.851 200 A CB -0.496 18.713 19.000 0.348 0.000 0.881 200 A HN 0.714 nan 8.150 nan 0.000 0.494 201 T N -5.327 109.433 114.554 0.343 0.000 2.816 201 T HA 0.659 5.010 4.350 0.002 0.000 0.299 201 T C 0.174 174.863 174.700 -0.018 0.000 1.230 201 T CA 0.124 62.368 62.100 0.241 0.000 1.007 201 T CB 1.259 70.222 68.868 0.158 0.000 1.289 201 T HN 1.968 nan 8.240 nan 0.000 0.508 202 G N 1.130 109.688 108.800 -0.402 0.000 2.548 202 G HA2 0.072 4.033 3.960 0.002 0.000 0.208 202 G HA3 0.072 4.033 3.960 0.002 0.000 0.208 202 G C -3.024 171.477 174.900 -0.664 0.000 1.308 202 G CA -0.621 43.796 45.100 -1.139 0.000 0.924 202 G HN 0.875 nan 8.290 nan 0.000 0.540 203 P HA 0.162 nan 4.420 nan 0.000 0.265 203 P C 0.415 177.609 177.300 -0.176 0.000 1.187 203 P CA 0.330 63.232 63.100 -0.329 0.000 0.766 203 P CB 0.327 31.863 31.700 -0.274 0.000 0.820 204 D N 2.289 122.630 120.400 -0.097 0.000 2.221 204 D HA -0.186 4.455 4.640 0.002 0.000 0.204 204 D C 1.623 177.874 176.300 -0.081 0.000 0.982 204 D CA 1.335 55.298 54.000 -0.062 0.000 0.857 204 D CB -0.094 40.687 40.800 -0.032 0.000 0.934 204 D HN 0.487 nan 8.370 nan 0.000 0.475 205 K N 0.592 120.944 120.400 -0.081 0.000 2.057 205 K HA -0.156 4.165 4.320 0.002 0.000 0.207 205 K C 1.172 177.742 176.600 -0.051 0.000 1.049 205 K CA 1.271 57.519 56.287 -0.066 0.000 0.931 205 K CB 0.189 32.651 32.500 -0.063 0.000 0.714 205 K HN -0.052 nan 8.250 nan 0.000 0.440 206 D N 0.651 121.010 120.400 -0.069 0.000 2.224 206 D HA -0.087 4.554 4.640 0.002 0.000 0.205 206 D C 1.806 178.166 176.300 0.100 0.000 0.965 206 D CA 0.725 54.727 54.000 0.003 0.000 0.852 206 D CB 0.065 40.758 40.800 -0.178 0.000 0.947 206 D HN 0.266 nan 8.370 nan 0.000 0.494 207 L N -0.164 121.053 121.223 -0.009 0.000 2.291 207 L HA -0.001 4.340 4.340 0.002 0.000 0.214 207 L C 0.448 177.220 176.870 -0.164 0.000 1.120 207 L CA -0.143 54.654 54.840 -0.072 0.000 0.799 207 L CB -0.051 41.937 42.059 -0.118 0.000 0.925 207 L HN -0.015 nan 8.230 nan 0.000 0.446 208 L N 0.995 122.140 121.223 -0.130 0.000 3.755 208 L HA -0.210 4.131 4.340 0.002 0.000 0.587 208 L C -0.491 176.226 176.870 -0.254 0.000 1.235 208 L CA 0.569 55.308 54.840 -0.169 0.000 0.876 208 L CB -0.749 41.209 42.059 -0.168 0.000 1.431 208 L HN 0.045 nan 8.230 nan 0.000 0.840 209 L N 1.900 122.967 121.223 -0.259 0.000 2.325 209 L HA 0.770 5.111 4.340 0.002 0.000 0.279 209 L C 1.123 177.898 176.870 -0.160 0.000 1.054 209 L CA -0.133 54.506 54.840 -0.334 0.000 0.804 209 L CB 1.366 43.142 42.059 -0.471 0.000 1.200 209 L HN 0.517 nan 8.230 nan 0.000 0.436 210 A N 1.318 124.089 122.820 -0.082 0.000 2.386 210 A HA 0.241 4.562 4.320 0.002 0.000 0.248 210 A C 1.248 178.862 177.584 0.050 0.000 1.082 210 A CA 0.192 52.224 52.037 -0.008 0.000 0.789 210 A CB 0.459 19.478 19.000 0.032 0.000 1.025 210 A HN 0.921 nan 8.150 nan 0.000 0.490 211 S N 0.394 116.113 115.700 0.031 0.000 2.469 211 S HA -0.142 4.329 4.470 0.002 0.000 0.238 211 S C 0.636 175.282 174.600 0.077 0.000 0.998 211 S CA 1.369 59.596 58.200 0.046 0.000 0.957 211 S CB -0.272 62.942 63.200 0.023 0.000 0.764 211 S HN 0.814 nan 8.310 nan 0.000 0.514 212 D N -0.235 120.219 120.400 0.090 0.000 2.559 212 D HA 0.116 4.757 4.640 0.002 0.000 0.234 212 D C -0.101 176.277 176.300 0.130 0.000 1.226 212 D CA -0.941 53.111 54.000 0.088 0.000 0.830 212 D CB -0.888 39.944 40.800 0.053 0.000 1.028 212 D HN 0.334 nan 8.370 nan 0.000 0.492 213 F N 2.813 122.771 119.950 0.012 0.000 2.593 213 F HA 0.054 4.582 4.527 0.002 0.000 0.393 213 F C 0.731 176.554 175.800 0.037 0.000 1.037 213 F CA -0.030 57.982 58.000 0.019 0.000 1.195 213 F CB 0.008 39.009 39.000 0.001 0.000 1.034 213 F HN -0.080 nan 8.300 nan 0.000 0.552 214 N N 4.464 122.859 118.700 -0.507 0.000 2.708 214 N HA -0.323 4.418 4.740 0.002 0.000 0.249 214 N C 1.300 176.657 175.510 -0.254 0.000 1.097 214 N CA 1.190 53.951 53.050 -0.482 0.000 0.710 214 N CB -1.617 36.432 38.487 -0.729 0.000 1.032 214 N HN 0.839 nan 8.380 nan 0.000 0.551 215 I N -0.468 120.025 120.570 -0.128 0.000 2.454 215 I HA -0.210 3.961 4.170 0.002 0.000 0.254 215 I C 1.698 177.757 176.117 -0.098 0.000 1.156 215 I CA 1.281 62.537 61.300 -0.073 0.000 1.433 215 I CB 0.165 38.151 38.000 -0.024 0.000 1.082 215 I HN 0.039 nan 8.210 nan 0.000 0.432 216 K N 0.744 121.061 120.400 -0.138 0.000 2.400 216 K HA 0.131 4.452 4.320 0.002 0.000 0.194 216 K C 0.009 176.480 176.600 -0.214 0.000 1.033 216 K CA 0.451 56.648 56.287 -0.150 0.000 1.021 216 K CB -0.040 32.370 32.500 -0.149 0.000 0.808 216 K HN 0.381 nan 8.250 nan 0.000 0.505 217 N N 0.816 119.311 118.700 -0.342 0.000 2.687 217 N HA 0.092 4.833 4.740 0.002 0.000 0.275 217 N C -2.250 173.013 175.510 -0.411 0.000 1.789 217 N CA -0.855 51.882 53.050 -0.522 0.000 0.806 217 N CB 1.506 39.119 38.487 -1.456 0.000 1.256 217 N HN -0.062 nan 8.380 nan 0.000 0.500 218 P HA -0.207 nan 4.420 nan 0.000 0.220 218 P C 1.083 178.429 177.300 0.077 0.000 1.144 218 P CA 1.449 64.541 63.100 -0.014 0.000 0.800 218 P CB -0.036 31.678 31.700 0.024 0.000 0.772 219 H N -2.542 116.502 119.070 -0.043 0.000 2.524 219 H HA -0.072 4.485 4.556 0.002 0.000 0.282 219 H C 1.590 177.047 175.328 0.215 0.000 1.016 219 H CA 0.603 56.691 56.048 0.068 0.000 1.270 219 H CB -1.479 28.323 29.762 0.066 0.000 1.394 219 H HN 0.119 nan 8.280 nan 0.000 0.568 220 Y N 1.891 122.017 120.300 -0.290 0.000 2.333 220 Y HA 0.165 4.716 4.550 0.002 0.000 0.290 220 Y C 1.794 177.716 175.900 0.036 0.000 1.144 220 Y CA 0.687 58.703 58.100 -0.140 0.000 1.228 220 Y CB -0.479 37.902 38.460 -0.132 0.000 0.985 220 Y HN 0.558 nan 8.280 nan 0.000 0.542 221 G N -0.865 108.071 108.800 0.226 0.000 2.484 221 G HA2 0.016 3.977 3.960 0.002 0.000 0.685 221 G HA3 0.016 3.977 3.960 0.002 0.000 0.685 221 G C -0.514 174.593 174.900 0.345 0.000 1.294 221 G CA -0.290 44.960 45.100 0.251 0.000 0.879 221 G HN 0.157 nan 8.290 nan 0.000 0.646 222 Q N -0.245 119.781 119.800 0.377 0.000 2.423 222 Q HA 0.328 4.669 4.340 0.002 0.000 0.201 222 Q C 0.382 176.690 176.000 0.513 0.000 0.842 222 Q CA -0.649 55.439 55.803 0.476 0.000 0.507 222 Q CB 0.649 29.547 28.738 0.267 0.000 3.343 222 Q HN 0.540 nan 8.270 nan 0.000 0.254 223 K N 0.348 120.936 120.400 0.313 0.000 2.168 223 K HA 0.373 4.694 4.320 0.002 0.000 0.258 223 K C 0.567 177.281 176.600 0.189 0.000 1.010 223 K CA 0.593 57.015 56.287 0.225 0.000 0.929 223 K CB 0.455 33.039 32.500 0.140 0.000 0.998 223 K HN 0.721 nan 8.250 nan 0.000 0.479 224 G N 0.586 109.471 108.800 0.141 0.000 2.228 224 G HA2 -0.264 3.697 3.960 0.002 0.000 0.270 224 G HA3 -0.264 3.697 3.960 0.002 0.000 0.270 224 G C 0.591 175.546 174.900 0.092 0.000 0.976 224 G CA 0.354 45.509 45.100 0.091 0.000 0.636 224 G HN 0.412 nan 8.290 nan 0.000 0.542 225 L N 1.356 122.670 121.223 0.152 0.000 2.376 225 L HA 0.268 4.609 4.340 0.002 0.000 0.219 225 L C 2.863 179.733 176.870 0.000 0.000 1.133 225 L CA 1.824 56.684 54.840 0.033 0.000 0.816 225 L CB -0.912 41.101 42.059 -0.077 0.000 0.933 225 L HN 0.315 nan 8.230 nan 0.000 0.449 226 G N -1.102 107.779 108.800 0.135 0.000 2.470 226 G HA2 -0.216 3.745 3.960 0.002 0.000 0.220 226 G HA3 -0.216 3.745 3.960 0.002 0.000 0.220 226 G C 1.467 176.334 174.900 -0.056 0.000 1.121 226 G CA 1.488 46.663 45.100 0.125 0.000 0.766 226 G HN 0.477 nan 8.290 nan 0.000 0.553 227 T N -4.021 110.481 114.554 -0.087 0.000 2.989 227 T HA 0.249 4.600 4.350 0.002 0.000 0.250 227 T C 2.367 177.145 174.700 0.131 0.000 0.981 227 T CA 1.110 63.134 62.100 -0.127 0.000 0.980 227 T CB -0.042 68.646 68.868 -0.300 0.000 1.133 227 T HN 0.133 nan 8.240 nan 0.000 0.489 228 G N 2.603 111.450 108.800 0.078 0.000 2.442 228 G HA2 -0.172 3.789 3.960 0.002 0.000 0.219 228 G HA3 -0.172 3.789 3.960 0.002 0.000 0.219 228 G C 1.589 176.538 174.900 0.081 0.000 1.141 228 G CA 1.606 46.751 45.100 0.075 0.000 0.763 228 G HN 0.700 nan 8.290 nan 0.000 0.554 229 T N -3.493 111.103 114.554 0.071 0.000 3.324 229 T HA 0.330 4.681 4.350 0.002 0.000 0.250 229 T C -0.092 174.556 174.700 -0.086 0.000 1.059 229 T CA -0.608 61.462 62.100 -0.051 0.000 0.951 229 T CB -0.239 68.510 68.868 -0.200 0.000 1.030 229 T HN 0.283 nan 8.240 nan 0.000 0.576 230 W N 0.433 121.769 121.300 0.060 0.000 2.975 230 W HA 0.570 5.231 4.660 0.001 0.000 0.342 230 W C -0.414 176.179 176.519 0.124 0.000 1.168 230 W CA -1.126 56.296 57.345 0.128 0.000 1.141 230 W CB 1.514 31.123 29.460 0.249 0.000 1.445 230 W HN -0.006 nan 8.180 nan 0.000 0.560 231 E N 1.494 121.926 120.200 0.387 0.000 2.092 231 E HA 0.483 4.834 4.350 0.002 0.000 0.271 231 E C 0.663 177.402 176.600 0.232 0.000 0.919 231 E CA 0.473 57.017 56.400 0.240 0.000 0.760 231 E CB 0.480 30.273 29.700 0.155 0.000 1.106 231 E HN 0.646 nan 8.360 nan 0.000 0.408 232 G N 4.817 113.738 108.800 0.202 0.000 2.528 232 G HA2 -0.304 3.657 3.960 0.002 0.000 0.262 232 G HA3 -0.304 3.657 3.960 0.002 0.000 0.262 232 G C 0.268 175.231 174.900 0.105 0.000 1.200 232 G CA 0.137 45.318 45.100 0.136 0.000 0.951 232 G HN 0.666 nan 8.290 nan 0.000 0.566 233 D N 1.355 121.681 120.400 -0.124 0.000 2.328 233 D HA 0.400 5.041 4.640 0.002 0.000 0.226 233 D C 2.398 178.227 176.300 -0.785 0.000 1.066 233 D CA 1.357 55.009 54.000 -0.579 0.000 0.861 233 D CB -0.366 40.129 40.800 -0.508 0.000 0.912 233 D HN 0.841 nan 8.370 nan 0.000 0.521 234 A N 1.503 124.147 122.820 -0.293 0.000 1.971 234 A HA -0.211 4.110 4.320 0.002 0.000 0.222 234 A C 2.039 179.292 177.584 -0.551 0.000 1.182 234 A CA 1.523 53.468 52.037 -0.153 0.000 0.649 234 A CB -1.251 17.961 19.000 0.353 0.000 0.818 234 A HN 0.611 nan 8.150 nan 0.000 0.458 235 W N -0.109 120.715 121.300 -0.793 0.000 2.364 235 W HA -0.135 4.526 4.660 0.002 0.000 0.281 235 W C 1.295 177.392 176.519 -0.704 0.000 1.219 235 W CA 1.102 57.599 57.345 -1.414 0.000 1.220 235 W CB -0.836 27.896 29.460 -1.214 0.000 1.127 235 W HN 0.285 nan 8.180 nan 0.000 0.556 236 K N 1.579 121.313 120.400 -1.110 0.000 2.286 236 K HA -0.139 4.182 4.320 0.002 0.000 0.203 236 K C 1.539 177.871 176.600 -0.447 0.000 1.045 236 K CA 1.913 57.701 56.287 -0.832 0.000 0.935 236 K CB -0.340 31.544 32.500 -1.027 0.000 0.737 236 K HN 0.471 nan 8.250 nan 0.000 0.460 237 I N -4.688 115.603 120.570 -0.465 0.000 3.241 237 I HA 0.299 4.470 4.170 0.002 0.000 0.333 237 I C 0.898 176.942 176.117 -0.121 0.000 1.534 237 I CA -0.460 60.627 61.300 -0.355 0.000 0.979 237 I CB 0.808 38.350 38.000 -0.764 0.000 1.497 237 I HN -0.177 nan 8.210 nan 0.000 0.530 238 G N 0.903 109.601 108.800 -0.170 0.000 2.744 238 G HA2 0.411 4.372 3.960 0.002 0.000 0.211 238 G HA3 0.411 4.372 3.960 0.002 0.000 0.211 238 G C 0.942 176.048 174.900 0.344 0.000 1.143 238 G CA 0.596 45.696 45.100 -0.000 0.000 0.788 238 G HN 0.869 nan 8.290 nan 0.000 0.534 239 G N -0.626 108.334 108.800 0.266 0.000 2.498 239 G HA2 0.305 4.266 3.960 0.002 0.000 0.245 239 G HA3 0.305 4.266 3.960 0.002 0.000 0.245 239 G C 1.065 176.163 174.900 0.330 0.000 1.204 239 G CA 0.978 46.266 45.100 0.313 0.000 0.933 239 G HN 1.894 nan 8.290 nan 0.000 0.574 240 G N -2.233 106.772 108.800 0.342 0.000 2.157 240 G HA2 0.166 4.127 3.960 0.002 0.000 0.248 240 G HA3 0.166 4.127 3.960 0.002 0.000 0.248 240 G C 1.173 176.253 174.900 0.300 0.000 0.979 240 G CA 1.496 46.800 45.100 0.340 0.000 0.650 240 G HN 2.856 nan 8.290 nan 0.000 0.529 241 T N 0.163 114.892 114.554 0.291 0.000 2.939 241 T HA 0.353 4.704 4.350 0.002 0.000 0.319 241 T C 0.307 175.167 174.700 0.266 0.000 1.082 241 T CA 0.501 62.750 62.100 0.249 0.000 1.133 241 T CB 1.010 70.040 68.868 0.271 0.000 1.019 241 T HN 1.064 nan 8.240 nan 0.000 0.548 242 N N 2.966 121.751 118.700 0.142 0.000 2.518 242 N HA 0.143 4.884 4.740 0.002 0.000 0.254 242 N C 0.028 175.513 175.510 -0.040 0.000 0.979 242 N CA -1.112 51.937 53.050 -0.001 0.000 0.930 242 N CB 1.044 39.531 38.487 0.000 0.000 1.152 242 N HN 1.037 nan 8.380 nan 0.000 0.505 243 W N 1.698 122.943 121.300 -0.091 0.000 2.684 243 W HA 0.448 5.109 4.660 0.001 0.000 0.381 243 W C -0.035 176.326 176.519 -0.263 0.000 0.975 243 W CA -0.624 56.636 57.345 -0.142 0.000 1.789 243 W CB -0.647 28.774 29.460 -0.065 0.000 1.161 243 W HN 0.378 nan 8.180 nan 0.000 0.564 244 G N 1.571 109.959 108.800 -0.686 0.000 3.229 244 G HA2 0.362 4.322 3.960 0.002 0.000 0.165 244 G HA3 0.362 4.322 3.960 0.002 0.000 0.165 244 G C -1.214 173.168 174.900 -0.863 0.000 1.753 244 G CA -0.206 44.422 45.100 -0.786 0.000 1.054 244 G HN 0.131 nan 8.290 nan 0.000 0.544 245 W N -2.162 118.982 121.300 -0.261 0.000 2.850 245 W HA 0.713 5.374 4.660 0.002 0.000 0.349 245 W C -1.169 175.109 176.519 -0.401 0.000 1.133 245 W CA -0.834 56.384 57.345 -0.212 0.000 1.117 245 W CB 1.088 30.560 29.460 0.020 0.000 1.442 245 W HN 0.325 nan 8.180 nan 0.000 0.575 246 Y N 0.306 120.614 120.300 0.013 0.000 2.659 246 Y HA 0.842 5.393 4.550 0.002 0.000 0.333 246 Y C 0.174 176.061 175.900 -0.022 0.000 1.064 246 Y CA -1.736 56.293 58.100 -0.118 0.000 1.141 246 Y CB 1.576 39.728 38.460 -0.514 0.000 1.316 246 Y HN 0.471 nan 8.280 nan 0.000 0.509 247 A N 0.514 123.590 122.820 0.427 0.000 2.572 247 A HA 0.736 5.057 4.320 0.002 0.000 0.295 247 A C -2.534 175.483 177.584 0.722 0.000 1.072 247 A CA -0.676 51.699 52.037 0.564 0.000 0.691 247 A CB 1.649 20.914 19.000 0.443 0.000 1.291 247 A HN 0.674 nan 8.150 nan 0.000 0.404 248 Y N 0.909 121.528 120.300 0.531 0.000 2.504 248 Y HA 0.611 5.162 4.550 0.002 0.000 0.344 248 Y C -1.719 174.311 175.900 0.217 0.000 1.023 248 Y CA -1.078 57.182 58.100 0.268 0.000 1.020 248 Y CB 2.075 40.521 38.460 -0.024 0.000 1.282 248 Y HN 0.665 nan 8.280 nan 0.000 0.454 249 D N 7.283 127.363 120.400 -0.534 0.000 2.471 249 D HA 0.403 5.044 4.640 0.002 0.000 0.245 249 D C -2.383 173.397 176.300 -0.867 0.000 1.116 249 D CA -2.521 51.229 54.000 -0.418 0.000 0.853 249 D CB 2.642 43.471 40.800 0.049 0.000 1.123 249 D HN 0.306 nan 8.370 nan 0.000 0.540 250 P HA -0.018 nan 4.420 nan 0.000 0.218 250 P C 1.303 178.492 177.300 -0.185 0.000 1.148 250 P CA 0.955 63.803 63.100 -0.419 0.000 0.822 250 P CB 0.370 32.004 31.700 -0.109 0.000 0.784 251 G N -0.441 108.280 108.800 -0.132 0.000 2.421 251 G HA2 -0.243 3.718 3.960 0.002 0.000 0.216 251 G HA3 -0.243 3.718 3.960 0.002 0.000 0.216 251 G C 1.485 176.366 174.900 -0.032 0.000 1.171 251 G CA 1.761 46.832 45.100 -0.047 0.000 0.775 251 G HN 0.384 nan 8.290 nan 0.000 0.543 252 T N -2.836 111.693 114.554 -0.041 0.000 3.044 252 T HA 0.103 4.454 4.350 0.002 0.000 0.250 252 T C 1.242 175.923 174.700 -0.031 0.000 1.081 252 T CA 0.779 62.883 62.100 0.006 0.000 1.040 252 T CB -0.139 68.788 68.868 0.097 0.000 0.962 252 T HN 0.349 nan 8.240 nan 0.000 0.506 253 N N 0.030 118.666 118.700 -0.106 0.000 2.741 253 N HA -0.137 4.604 4.740 0.002 0.000 0.251 253 N C -0.869 174.693 175.510 0.086 0.000 1.112 253 N CA 0.431 53.495 53.050 0.022 0.000 0.750 253 N CB -2.009 36.524 38.487 0.076 0.000 1.119 253 N HN 0.647 nan 8.380 nan 0.000 0.561 254 L N 0.313 121.470 121.223 -0.110 0.000 2.325 254 L HA 0.523 4.864 4.340 0.002 0.000 0.279 254 L C 0.415 177.083 176.870 -0.337 0.000 1.054 254 L CA -1.038 53.638 54.840 -0.274 0.000 0.804 254 L CB 1.074 42.842 42.059 -0.486 0.000 1.200 254 L HN 0.107 nan 8.230 nan 0.000 0.436 255 I N 2.721 123.183 120.570 -0.180 0.000 2.331 255 I HA 0.281 4.452 4.170 0.002 0.000 0.292 255 I C -0.963 175.124 176.117 -0.050 0.000 0.998 255 I CA 0.025 61.370 61.300 0.075 0.000 1.267 255 I CB 0.666 38.809 38.000 0.239 0.000 1.386 255 I HN 0.192 nan 8.210 nan 0.000 0.476 256 Y N 8.423 128.963 120.300 0.400 0.000 2.335 256 Y HA 0.649 5.200 4.550 0.002 0.000 0.338 256 Y C -0.319 175.794 175.900 0.355 0.000 0.977 256 Y CA -0.736 57.522 58.100 0.264 0.000 1.114 256 Y CB 1.039 39.603 38.460 0.174 0.000 1.182 256 Y HN 0.473 nan 8.280 nan 0.000 0.463 257 F N -0.622 119.458 119.950 0.217 0.000 2.773 257 F HA 0.918 5.446 4.527 0.001 0.000 0.314 257 F C -0.768 175.078 175.800 0.076 0.000 1.160 257 F CA -1.700 56.326 58.000 0.044 0.000 0.920 257 F CB 1.086 40.067 39.000 -0.031 0.000 1.323 257 F HN 0.585 nan 8.300 nan 0.000 0.457 258 G N 0.267 109.110 108.800 0.072 0.000 2.495 258 G HA2 0.577 4.538 3.960 0.002 0.000 0.318 258 G HA3 0.577 4.538 3.960 0.002 0.000 0.318 258 G C -1.084 173.928 174.900 0.188 0.000 1.257 258 G CA -0.558 44.590 45.100 0.081 0.000 0.962 258 G HN 0.980 nan 8.290 nan 0.000 0.483 259 T N -0.608 114.082 114.554 0.227 0.000 2.899 259 T HA 0.688 5.039 4.350 0.002 0.000 0.284 259 T C 0.932 175.750 174.700 0.196 0.000 1.004 259 T CA 0.017 62.278 62.100 0.268 0.000 1.043 259 T CB 1.719 70.810 68.868 0.373 0.000 1.013 259 T HN 0.748 nan 8.240 nan 0.000 0.518 260 G N 1.109 110.043 108.800 0.223 0.000 2.543 260 G HA2 0.372 4.333 3.960 0.002 0.000 0.290 260 G HA3 0.372 4.333 3.960 0.002 0.000 0.290 260 G C 0.139 175.205 174.900 0.277 0.000 1.310 260 G CA -1.110 44.148 45.100 0.263 0.000 1.025 260 G HN 1.059 nan 8.290 nan 0.000 0.502 261 N N 0.960 119.829 118.700 0.282 0.000 2.441 261 N HA 0.112 4.853 4.740 0.002 0.000 0.251 261 N C -2.572 173.090 175.510 0.252 0.000 1.242 261 N CA -0.679 52.498 53.050 0.212 0.000 0.898 261 N CB 1.265 39.837 38.487 0.141 0.000 1.100 261 N HN 0.183 nan 8.380 nan 0.000 0.443 262 P HA 0.247 nan 4.420 nan 0.000 0.276 262 P C -1.155 176.337 177.300 0.319 0.000 1.252 262 P CA -0.477 62.817 63.100 0.322 0.000 0.802 262 P CB 1.002 32.835 31.700 0.221 0.000 1.035 263 A N 2.244 125.320 122.820 0.426 0.000 2.355 263 A HA 0.767 5.088 4.320 0.002 0.000 0.324 263 A C -2.399 175.421 177.584 0.394 0.000 1.117 263 A CA -1.940 50.343 52.037 0.411 0.000 0.785 263 A CB 0.913 20.222 19.000 0.515 0.000 1.254 263 A HN 0.402 nan 8.150 nan 0.000 0.453 264 P HA 0.191 nan 4.420 nan 0.000 0.317 264 P C 0.003 177.378 177.300 0.126 0.000 1.307 264 P CA -0.355 62.632 63.100 -0.189 0.000 0.749 264 P CB 0.513 31.561 31.700 -1.086 0.000 1.377 265 W N -1.229 119.965 121.300 -0.176 0.000 2.467 265 W HA 0.039 4.700 4.660 0.001 0.000 0.275 265 W C 1.194 177.719 176.519 0.009 0.000 1.239 265 W CA 0.436 57.780 57.345 -0.001 0.000 1.266 265 W CB -1.709 27.747 29.460 -0.007 0.000 1.112 265 W HN 0.258 nan 8.180 nan 0.000 0.576 266 N N 2.310 121.042 118.700 0.053 0.000 2.399 266 N HA -0.117 4.624 4.740 0.002 0.000 0.284 266 N C 1.443 176.944 175.510 -0.016 0.000 1.283 266 N CA 0.469 53.512 53.050 -0.011 0.000 0.972 266 N CB 0.378 38.771 38.487 -0.156 0.000 1.328 266 N HN 0.151 nan 8.380 nan 0.000 0.486 267 E N 2.870 123.052 120.200 -0.031 0.000 2.114 267 E HA -0.211 4.140 4.350 0.002 0.000 0.199 267 E C 0.502 177.102 176.600 -0.000 0.000 1.008 267 E CA 1.664 57.973 56.400 -0.152 0.000 0.810 267 E CB -0.055 29.501 29.700 -0.240 0.000 0.739 267 E HN 0.573 nan 8.360 nan 0.000 0.456 268 T N 0.900 115.473 114.554 0.031 0.000 2.881 268 T HA -0.089 4.262 4.350 0.002 0.000 0.270 268 T C 1.819 176.557 174.700 0.064 0.000 1.068 268 T CA 1.540 63.673 62.100 0.054 0.000 1.131 268 T CB -0.174 68.724 68.868 0.050 0.000 0.871 268 T HN 0.248 nan 8.240 nan 0.000 0.479 269 M N 0.289 119.924 119.600 0.058 0.000 2.595 269 M HA 0.145 4.626 4.480 0.002 0.000 0.248 269 M C 0.937 177.316 176.300 0.132 0.000 1.119 269 M CA 0.769 56.124 55.300 0.092 0.000 1.079 269 M CB 0.214 32.867 32.600 0.089 0.000 1.472 269 M HN -0.073 nan 8.290 nan 0.000 0.501 270 R N 1.039 121.603 120.500 0.107 0.000 2.997 270 R HA 0.255 4.596 4.340 0.002 0.000 0.358 270 R C -2.469 173.887 176.300 0.093 0.000 1.191 270 R CA -1.493 54.659 56.100 0.087 0.000 1.113 270 R CB -0.199 30.062 30.300 -0.065 0.000 1.433 270 R HN 0.054 nan 8.270 nan 0.000 0.584 271 P HA 0.011 nan 4.420 nan 0.000 0.262 271 P C 0.318 177.551 177.300 -0.112 0.000 1.182 271 P CA 1.057 64.132 63.100 -0.041 0.000 0.761 271 P CB 1.038 32.721 31.700 -0.029 0.000 0.795 272 G N 3.059 111.710 108.800 -0.250 0.000 2.392 272 G HA2 -0.124 3.837 3.960 0.002 0.000 0.677 272 G HA3 -0.124 3.837 3.960 0.002 0.000 0.677 272 G C 0.023 174.786 174.900 -0.229 0.000 1.334 272 G CA -0.523 44.435 45.100 -0.237 0.000 0.961 272 G HN 0.333 nan 8.290 nan 0.000 0.616 273 D N 0.228 120.479 120.400 -0.247 0.000 2.350 273 D HA -0.029 4.612 4.640 0.002 0.000 0.216 273 D C 1.518 177.615 176.300 -0.339 0.000 0.968 273 D CA 1.015 54.882 54.000 -0.221 0.000 0.894 273 D CB -0.363 40.303 40.800 -0.222 0.000 0.909 273 D HN 0.707 nan 8.370 nan 0.000 0.520 274 N N 0.327 118.633 118.700 -0.655 0.000 2.707 274 N HA -0.236 4.505 4.740 0.002 0.000 0.253 274 N C -0.525 174.871 175.510 -0.190 0.000 0.998 274 N CA 0.178 52.721 53.050 -0.845 0.000 0.751 274 N CB -0.823 37.161 38.487 -0.838 0.000 0.920 274 N HN 0.016 nan 8.380 nan 0.000 0.539 275 K N -0.263 119.956 120.400 -0.302 0.000 2.511 275 K HA -0.127 4.193 4.320 0.002 0.000 0.277 275 K C 0.143 176.860 176.600 0.196 0.000 1.025 275 K CA 0.966 56.956 56.287 -0.496 0.000 1.112 275 K CB 0.037 31.882 32.500 -1.093 0.000 0.859 275 K HN 0.460 nan 8.250 nan 0.000 0.485 276 W N 1.184 122.731 121.300 0.413 0.000 2.304 276 W HA 0.035 4.696 4.660 0.002 0.000 0.326 276 W C 0.304 177.010 176.519 0.312 0.000 0.920 276 W CA -0.245 57.294 57.345 0.323 0.000 1.518 276 W CB 0.307 30.014 29.460 0.412 0.000 1.112 276 W HN 0.642 nan 8.180 nan 0.000 0.528 277 T N -0.793 114.070 114.554 0.514 0.000 2.716 277 T HA -0.062 4.289 4.350 0.002 0.000 0.335 277 T C 1.125 175.986 174.700 0.269 0.000 1.081 277 T CA 0.216 62.548 62.100 0.386 0.000 1.073 277 T CB 0.449 69.530 68.868 0.356 0.000 0.993 277 T HN 0.136 nan 8.240 nan 0.000 0.547 278 M N -0.552 119.176 119.600 0.214 0.000 2.302 278 M HA -0.145 4.336 4.480 0.002 0.000 0.200 278 M C -0.029 176.303 176.300 0.054 0.000 0.366 278 M CA 0.828 56.200 55.300 0.120 0.000 0.440 278 M CB -3.314 29.342 32.600 0.092 0.000 1.475 278 M HN 0.934 nan 8.290 nan 0.000 0.905 279 T N 0.240 114.868 114.554 0.123 0.000 2.893 279 T HA 0.732 5.083 4.350 0.002 0.000 0.293 279 T C 0.403 175.097 174.700 -0.011 0.000 1.027 279 T CA -0.658 61.456 62.100 0.023 0.000 0.988 279 T CB 2.359 71.333 68.868 0.176 0.000 1.043 279 T HN 0.262 nan 8.240 nan 0.000 0.461 280 I N 3.006 123.527 120.570 -0.082 0.000 2.396 280 I HA 0.331 4.502 4.170 0.002 0.000 0.289 280 I C -0.650 175.367 176.117 -0.167 0.000 1.056 280 I CA -0.161 61.130 61.300 -0.015 0.000 1.365 280 I CB 0.307 38.391 38.000 0.140 0.000 1.407 280 I HN 0.451 nan 8.210 nan 0.000 0.509 281 F N 3.358 123.089 119.950 -0.365 0.000 2.507 281 F HA 0.653 5.181 4.527 0.001 0.000 0.327 281 F C 0.725 176.167 175.800 -0.596 0.000 1.068 281 F CA -0.549 57.133 58.000 -0.529 0.000 0.965 281 F CB 2.120 40.581 39.000 -0.898 0.000 1.192 281 F HN 0.338 nan 8.300 nan 0.000 0.476 282 G N 3.019 111.466 108.800 -0.588 0.000 2.814 282 G HA2 0.573 4.534 3.960 0.002 0.000 0.300 282 G HA3 0.573 4.534 3.960 0.002 0.000 0.300 282 G C -1.038 173.647 174.900 -0.359 0.000 1.406 282 G CA -0.629 43.984 45.100 -0.812 0.000 1.041 282 G HN 0.520 nan 8.290 nan 0.000 0.532 283 R N 1.267 121.660 120.500 -0.178 0.000 2.664 283 R HA 0.297 4.638 4.340 0.002 0.000 0.286 283 R C -1.083 175.120 176.300 -0.161 0.000 0.967 283 R CA -0.872 55.147 56.100 -0.135 0.000 0.933 283 R CB 2.291 32.567 30.300 -0.040 0.000 1.146 283 R HN 0.568 nan 8.270 nan 0.000 0.468 284 D N 1.335 121.606 120.400 -0.215 0.000 2.371 284 D HA 0.118 4.759 4.640 0.002 0.000 0.256 284 D C 1.087 177.302 176.300 -0.142 0.000 1.193 284 D CA 0.151 54.059 54.000 -0.154 0.000 0.881 284 D CB 1.314 42.014 40.800 -0.166 0.000 1.143 284 D HN 0.577 nan 8.370 nan 0.000 0.473 285 A N 4.243 127.078 122.820 0.024 0.000 1.903 285 A HA -0.275 4.046 4.320 0.002 0.000 0.219 285 A C 1.727 179.430 177.584 0.198 0.000 1.191 285 A CA 1.906 54.009 52.037 0.110 0.000 0.638 285 A CB -0.396 18.623 19.000 0.031 0.000 0.823 285 A HN 0.789 nan 8.150 nan 0.000 0.451 286 D N -2.112 118.339 120.400 0.085 0.000 2.162 286 D HA -0.066 4.575 4.640 0.002 0.000 0.205 286 D C 1.957 178.278 176.300 0.034 0.000 0.964 286 D CA 1.739 55.809 54.000 0.117 0.000 0.847 286 D CB -0.323 40.508 40.800 0.051 0.000 0.988 286 D HN 0.464 nan 8.370 nan 0.000 0.480 287 T N -1.238 113.191 114.554 -0.207 0.000 3.009 287 T HA 0.174 4.525 4.350 0.002 0.000 0.258 287 T C 1.529 175.664 174.700 -0.941 0.000 1.063 287 T CA 1.641 63.523 62.100 -0.363 0.000 1.139 287 T CB 0.054 68.779 68.868 -0.239 0.000 0.890 287 T HN 0.348 nan 8.240 nan 0.000 0.471 288 G N 1.066 109.036 108.800 -1.384 0.000 2.241 288 G HA2 -0.213 3.748 3.960 0.002 0.000 0.244 288 G HA3 -0.213 3.748 3.960 0.002 0.000 0.244 288 G C -0.069 174.227 174.900 -1.007 0.000 0.998 288 G CA 0.231 43.992 45.100 -2.231 0.000 0.621 288 G HN 0.615 nan 8.290 nan 0.000 0.519 289 E N 1.023 120.863 120.200 -0.601 0.000 2.442 289 E HA 0.443 4.794 4.350 0.002 0.000 0.262 289 E C 0.665 177.104 176.600 -0.268 0.000 1.004 289 E CA 0.224 56.411 56.400 -0.354 0.000 0.928 289 E CB 0.755 30.315 29.700 -0.233 0.000 0.937 289 E HN 0.747 nan 8.360 nan 0.000 0.446 290 A N 3.224 125.919 122.820 -0.209 0.000 2.320 290 A HA 0.104 4.425 4.320 0.002 0.000 0.287 290 A C 0.623 178.273 177.584 0.110 0.000 1.181 290 A CA -0.315 51.688 52.037 -0.057 0.000 0.831 290 A CB 0.552 19.552 19.000 -0.000 0.000 1.102 290 A HN 0.629 nan 8.150 nan 0.000 0.513 291 K N 0.884 121.333 120.400 0.082 0.000 2.352 291 K HA 0.194 4.515 4.320 0.002 0.000 0.194 291 K C -0.769 176.005 176.600 0.290 0.000 1.038 291 K CA 0.645 57.037 56.287 0.175 0.000 1.023 291 K CB 0.202 32.754 32.500 0.085 0.000 0.840 291 K HN 0.790 nan 8.250 nan 0.000 0.519 292 F N -2.038 118.035 119.950 0.204 0.000 2.665 292 F HA 0.589 5.117 4.527 0.002 0.000 0.308 292 F C -1.006 174.772 175.800 -0.037 0.000 1.112 292 F CA -1.364 56.608 58.000 -0.047 0.000 0.972 292 F CB 1.042 40.017 39.000 -0.042 0.000 1.295 292 F HN -0.159 nan 8.300 nan 0.000 0.440 293 G N 1.794 110.621 108.800 0.046 0.000 2.719 293 G HA2 0.473 4.434 3.960 0.002 0.000 0.284 293 G HA3 0.473 4.434 3.960 0.002 0.000 0.284 293 G C -2.855 172.025 174.900 -0.033 0.000 1.488 293 G CA -0.752 44.166 45.100 -0.305 0.000 1.139 293 G HN 0.990 nan 8.290 nan 0.000 0.552 294 Y N 2.409 122.586 120.300 -0.205 0.000 2.334 294 Y HA 0.571 5.122 4.550 0.002 0.000 0.336 294 Y C 0.224 175.955 175.900 -0.281 0.000 0.960 294 Y CA -1.006 56.819 58.100 -0.458 0.000 1.164 294 Y CB 1.805 39.857 38.460 -0.680 0.000 1.155 294 Y HN 0.545 nan 8.280 nan 0.000 0.478 295 Q N 6.086 125.447 119.800 -0.731 0.000 2.307 295 Q HA 0.194 4.535 4.340 0.002 0.000 0.259 295 Q C 0.132 175.548 176.000 -0.972 0.000 0.998 295 Q CA -0.143 55.322 55.803 -0.563 0.000 0.923 295 Q CB 1.054 29.622 28.738 -0.284 0.000 1.196 295 Q HN 0.925 nan 8.270 nan 0.000 0.416 296 K N 1.679 121.657 120.400 -0.702 0.000 2.062 296 K HA 0.017 4.338 4.320 0.002 0.000 0.205 296 K C 0.022 176.487 176.600 -0.226 0.000 1.051 296 K CA 1.141 57.067 56.287 -0.602 0.000 0.941 296 K CB 0.491 32.648 32.500 -0.571 0.000 0.719 296 K HN 0.469 nan 8.250 nan 0.000 0.440 297 T N 2.905 117.413 114.554 -0.077 0.000 3.241 297 T HA 0.267 4.618 4.350 0.002 0.000 0.387 297 T C -2.735 172.011 174.700 0.076 0.000 1.451 297 T CA -1.555 60.632 62.100 0.145 0.000 1.363 297 T CB 1.480 70.558 68.868 0.349 0.000 1.074 297 T HN -0.150 nan 8.240 nan 0.000 0.598 298 P HA 0.082 nan 4.420 nan 0.000 0.265 298 P C 0.093 177.423 177.300 0.049 0.000 1.193 298 P CA 0.213 63.294 63.100 -0.031 0.000 0.765 298 P CB 0.040 31.706 31.700 -0.057 0.000 0.823 299 H N 0.587 119.560 119.070 -0.162 0.000 2.514 299 H HA -0.264 4.293 4.556 0.001 0.000 0.318 299 H C -0.161 175.035 175.328 -0.219 0.000 0.994 299 H CA 0.269 56.185 56.048 -0.220 0.000 1.056 299 H CB -1.300 28.330 29.762 -0.219 0.000 1.621 299 H HN 0.352 nan 8.280 nan 0.000 0.360 300 D N 2.188 122.381 120.400 -0.345 0.000 2.472 300 D HA 0.042 4.683 4.640 0.002 0.000 0.237 300 D C 0.767 176.581 176.300 -0.809 0.000 1.141 300 D CA 0.904 54.680 54.000 -0.374 0.000 0.875 300 D CB 0.558 41.250 40.800 -0.179 0.000 1.192 300 D HN 0.784 nan 8.370 nan 0.000 0.450 301 E N 2.837 122.246 120.200 -1.318 0.000 3.067 301 E HA 0.156 4.507 4.350 0.002 0.000 0.188 301 E C -0.257 175.113 176.600 -2.049 0.000 0.964 301 E CA -0.515 54.960 56.400 -1.542 0.000 1.286 301 E CB 0.001 28.763 29.700 -1.563 0.000 1.051 301 E HN 0.557 nan 8.360 nan 0.000 0.465 302 W N 0.675 121.335 121.300 -1.066 0.000 1.857 302 W HA 0.279 4.940 4.660 0.002 0.000 0.244 302 W C 0.342 176.319 176.519 -0.903 0.000 0.859 302 W CA -0.329 56.189 57.345 -1.377 0.000 1.112 302 W CB 0.618 28.998 29.460 -1.801 0.000 0.967 302 W HN 0.128 nan 8.180 nan 0.000 0.524 303 E N 0.984 120.885 120.200 -0.499 0.000 2.442 303 E HA -0.214 4.137 4.350 0.002 0.000 0.256 303 E C -0.885 175.721 176.600 0.010 0.000 1.095 303 E CA 0.462 56.650 56.400 -0.354 0.000 0.747 303 E CB -1.590 27.664 29.700 -0.744 0.000 1.310 303 E HN 0.176 nan 8.360 nan 0.000 0.396 304 Y N -0.407 119.941 120.300 0.081 0.000 2.971 304 Y HA 0.324 4.875 4.550 0.002 0.000 0.384 304 Y C 1.148 177.118 175.900 0.117 0.000 1.166 304 Y CA -0.239 57.925 58.100 0.106 0.000 1.973 304 Y CB -0.619 37.901 38.460 0.101 0.000 2.082 304 Y HN 0.249 nan 8.280 nan 0.000 0.420 305 A N 0.611 123.617 122.820 0.310 0.000 2.567 305 A HA 0.154 4.475 4.320 0.002 0.000 0.263 305 A C 1.490 179.178 177.584 0.173 0.000 1.030 305 A CA 0.853 53.061 52.037 0.286 0.000 0.833 305 A CB -0.300 18.987 19.000 0.479 0.000 0.924 305 A HN 0.743 nan 8.150 nan 0.000 0.518 306 G N 1.924 110.796 108.800 0.120 0.000 3.541 306 G HA2 0.364 4.325 3.960 0.002 0.000 0.253 306 G HA3 0.364 4.325 3.960 0.002 0.000 0.253 306 G C 0.661 175.587 174.900 0.043 0.000 1.017 306 G CA 0.469 45.599 45.100 0.050 0.000 1.832 306 G HN 1.586 nan 8.290 nan 0.000 0.649 307 V N -3.015 116.835 119.914 -0.106 0.000 3.621 307 V HA 0.226 4.347 4.120 0.002 0.000 0.285 307 V C 0.638 176.631 176.094 -0.168 0.000 1.346 307 V CA -1.012 61.118 62.300 -0.282 0.000 1.104 307 V CB -0.800 30.464 31.823 -0.932 0.000 0.913 307 V HN 0.136 nan 8.190 nan 0.000 0.432 308 N N 1.413 120.156 118.700 0.072 0.000 2.273 308 N HA 0.074 4.815 4.740 0.002 0.000 0.227 308 N C 0.048 175.635 175.510 0.129 0.000 1.292 308 N CA 0.401 53.557 53.050 0.177 0.000 0.875 308 N CB 0.538 39.120 38.487 0.158 0.000 1.105 308 N HN 0.266 nan 8.380 nan 0.000 0.434 309 V N 1.747 121.744 119.914 0.138 0.000 2.953 309 V HA -0.076 4.045 4.120 0.002 0.000 0.304 309 V C 0.022 175.963 176.094 -0.255 0.000 1.138 309 V CA 0.499 62.772 62.300 -0.046 0.000 1.266 309 V CB 0.080 31.696 31.823 -0.344 0.000 0.923 309 V HN 0.422 nan 8.190 nan 0.000 0.505 310 M N 7.720 127.192 119.600 -0.214 0.000 2.243 310 M HA 0.515 4.996 4.480 0.002 0.000 0.324 310 M C -0.742 175.508 176.300 -0.084 0.000 1.031 310 M CA -0.046 55.136 55.300 -0.196 0.000 0.949 310 M CB 1.404 33.960 32.600 -0.073 0.000 1.615 310 M HN 0.563 nan 8.290 nan 0.000 0.430 311 M N 4.866 124.419 119.600 -0.079 0.000 2.142 311 M HA 0.541 5.021 4.480 0.002 0.000 0.299 311 M C -0.784 175.522 176.300 0.009 0.000 0.960 311 M CA -0.434 54.886 55.300 0.033 0.000 0.920 311 M CB 2.060 34.746 32.600 0.143 0.000 1.541 311 M HN 0.502 nan 8.290 nan 0.000 0.429 312 L N 2.156 123.394 121.223 0.026 0.000 2.421 312 L HA 0.796 5.137 4.340 0.002 0.000 0.263 312 L C 0.400 177.217 176.870 -0.089 0.000 1.122 312 L CA -0.361 54.456 54.840 -0.037 0.000 0.804 312 L CB 1.396 43.464 42.059 0.015 0.000 1.150 312 L HN 0.896 nan 8.230 nan 0.000 0.457 313 S N 0.056 115.681 115.700 -0.124 0.000 2.636 313 S HA 0.470 4.941 4.470 0.002 0.000 0.266 313 S C -1.407 173.146 174.600 -0.077 0.000 1.147 313 S CA -1.118 56.989 58.200 -0.155 0.000 0.815 313 S CB 1.929 64.829 63.200 -0.499 0.000 1.119 313 S HN 0.615 nan 8.310 nan 0.000 0.470 314 E N 0.554 120.734 120.200 -0.033 0.000 2.244 314 E HA 0.526 4.877 4.350 0.002 0.000 0.260 314 E C -1.180 175.411 176.600 -0.015 0.000 0.884 314 E CA -0.502 55.885 56.400 -0.023 0.000 0.777 314 E CB 2.007 31.703 29.700 -0.007 0.000 1.197 314 E HN 0.569 nan 8.360 nan 0.000 0.416 315 Q N 1.351 121.134 119.800 -0.028 0.000 2.553 315 Q HA 0.437 4.778 4.340 0.002 0.000 0.293 315 Q C -0.983 174.996 176.000 -0.036 0.000 1.038 315 Q CA -1.053 54.734 55.803 -0.027 0.000 0.777 315 Q CB 2.580 31.302 28.738 -0.025 0.000 1.487 315 Q HN 0.176 nan 8.270 nan 0.000 0.426 316 K N 1.691 122.068 120.400 -0.038 0.000 2.201 316 K HA 0.162 4.483 4.320 0.002 0.000 0.278 316 K C -0.769 175.802 176.600 -0.049 0.000 1.027 316 K CA -0.451 55.812 56.287 -0.041 0.000 0.909 316 K CB 0.660 33.138 32.500 -0.037 0.000 1.062 316 K HN 0.512 nan 8.250 nan 0.000 0.465 317 D N 1.661 122.030 120.400 -0.051 0.000 2.447 317 D HA 0.030 4.671 4.640 0.002 0.000 0.265 317 D C 0.637 176.906 176.300 -0.053 0.000 1.250 317 D CA -0.344 53.622 54.000 -0.057 0.000 1.046 317 D CB 0.572 41.337 40.800 -0.058 0.000 1.095 317 D HN 0.180 nan 8.370 nan 0.000 0.555 318 K N -0.907 119.461 120.400 -0.054 0.000 2.360 318 K HA -0.094 4.226 4.320 0.002 0.000 0.201 318 K C 0.258 176.833 176.600 -0.042 0.000 1.046 318 K CA 0.907 57.164 56.287 -0.049 0.000 0.945 318 K CB -0.104 32.367 32.500 -0.049 0.000 0.750 318 K HN 0.400 nan 8.250 nan 0.000 0.464 319 D N -0.454 119.921 120.400 -0.041 0.000 2.340 319 D HA 0.043 4.684 4.640 0.002 0.000 0.220 319 D C 1.071 177.351 176.300 -0.034 0.000 1.039 319 D CA 0.537 54.516 54.000 -0.036 0.000 0.866 319 D CB 0.540 41.319 40.800 -0.037 0.000 0.913 319 D HN 0.346 nan 8.370 nan 0.000 0.523 320 G N 1.024 109.803 108.800 -0.035 0.000 2.179 320 G HA2 -0.336 3.625 3.960 0.002 0.000 0.260 320 G HA3 -0.336 3.625 3.960 0.002 0.000 0.260 320 G C 0.489 175.370 174.900 -0.031 0.000 0.977 320 G CA -0.026 45.054 45.100 -0.032 0.000 0.641 320 G HN 0.340 nan 8.290 nan 0.000 0.533 321 K N 1.075 121.454 120.400 -0.034 0.000 2.412 321 K HA 0.547 4.868 4.320 0.002 0.000 0.281 321 K C 0.883 177.462 176.600 -0.034 0.000 1.027 321 K CA 0.312 56.579 56.287 -0.034 0.000 0.989 321 K CB 0.501 32.978 32.500 -0.038 0.000 0.935 321 K HN 0.520 nan 8.250 nan 0.000 0.475 322 A N 5.076 127.878 122.820 -0.030 0.000 2.362 322 A HA 0.284 4.605 4.320 0.002 0.000 0.276 322 A C -0.439 177.125 177.584 -0.034 0.000 1.153 322 A CA -0.366 51.653 52.037 -0.029 0.000 0.813 322 A CB 0.390 19.377 19.000 -0.023 0.000 1.081 322 A HN 0.621 nan 8.150 nan 0.000 0.507 323 R N 2.139 122.615 120.500 -0.039 0.000 2.686 323 R HA 0.377 4.718 4.340 0.002 0.000 0.286 323 R C -1.071 175.200 176.300 -0.048 0.000 0.969 323 R CA -0.665 55.406 56.100 -0.048 0.000 0.898 323 R CB 1.772 32.035 30.300 -0.061 0.000 1.183 323 R HN 0.713 nan 8.270 nan 0.000 0.456 324 K N 3.344 123.715 120.400 -0.049 0.000 2.263 324 K HA 0.385 4.706 4.320 0.002 0.000 0.282 324 K C -0.033 176.516 176.600 -0.084 0.000 1.089 324 K CA -0.153 56.105 56.287 -0.050 0.000 0.907 324 K CB 0.677 33.161 32.500 -0.027 0.000 1.148 324 K HN 0.303 nan 8.250 nan 0.000 0.470 325 L N 2.992 124.156 121.223 -0.099 0.000 2.347 325 L HA 0.634 4.975 4.340 0.002 0.000 0.268 325 L C -0.630 176.138 176.870 -0.170 0.000 1.019 325 L CA -1.572 53.190 54.840 -0.130 0.000 0.806 325 L CB 0.785 42.781 42.059 -0.106 0.000 1.339 325 L HN 0.392 nan 8.230 nan 0.000 0.463 326 L N -1.612 119.499 121.223 -0.187 0.000 2.505 326 L HA 0.666 5.007 4.340 0.002 0.000 0.266 326 L C -0.831 175.933 176.870 -0.176 0.000 0.954 326 L CA -0.132 54.585 54.840 -0.206 0.000 0.852 326 L CB 1.671 43.548 42.059 -0.304 0.000 1.282 326 L HN 0.358 nan 8.230 nan 0.000 0.403 327 T N 2.202 116.621 114.554 -0.225 0.000 2.824 327 T HA 0.463 4.814 4.350 0.002 0.000 0.280 327 T C -1.128 173.445 174.700 -0.211 0.000 0.995 327 T CA -0.105 61.794 62.100 -0.334 0.000 1.009 327 T CB 0.639 68.967 68.868 -0.900 0.000 0.955 327 T HN 0.782 nan 8.240 nan 0.000 0.452 328 H N 3.891 122.820 119.070 -0.235 0.000 2.917 328 H HA 0.282 4.839 4.556 0.002 0.000 0.279 328 H C -2.637 172.593 175.328 -0.163 0.000 1.211 328 H CA -2.361 53.592 56.048 -0.158 0.000 1.534 328 H CB 1.346 31.076 29.762 -0.054 0.000 1.581 328 H HN 0.285 nan 8.280 nan 0.000 0.510 329 P HA 0.054 nan 4.420 nan 0.000 0.273 329 P C -0.343 176.765 177.300 -0.320 0.000 1.428 329 P CA -0.141 62.770 63.100 -0.315 0.000 0.995 329 P CB 0.867 32.247 31.700 -0.534 0.000 1.286 330 D N 2.318 122.564 120.400 -0.256 0.000 2.377 330 D HA 0.100 4.741 4.640 0.002 0.000 0.245 330 D C 1.700 177.935 176.300 -0.109 0.000 1.196 330 D CA -0.432 53.424 54.000 -0.240 0.000 0.962 330 D CB 0.946 41.641 40.800 -0.175 0.000 1.127 330 D HN 0.062 nan 8.370 nan 0.000 0.471 331 R N 0.885 121.342 120.500 -0.072 0.000 2.115 331 R HA -0.121 4.220 4.340 0.002 0.000 0.230 331 R C 1.243 177.262 176.300 -0.469 0.000 1.111 331 R CA 0.888 56.946 56.100 -0.069 0.000 0.976 331 R CB -0.603 29.765 30.300 0.113 0.000 0.870 331 R HN 0.536 nan 8.270 nan 0.000 0.445 332 N N -0.151 118.213 118.700 -0.562 0.000 2.609 332 N HA -0.056 4.685 4.740 0.002 0.000 0.190 332 N C 0.964 176.056 175.510 -0.695 0.000 1.157 332 N CA 1.158 53.566 53.050 -1.069 0.000 0.918 332 N CB -0.080 38.257 38.487 -0.250 0.000 0.978 332 N HN 0.276 nan 8.380 nan 0.000 0.448 333 G N -1.121 107.434 108.800 -0.408 0.000 2.157 333 G HA2 -0.183 3.778 3.960 0.002 0.000 0.239 333 G HA3 -0.183 3.778 3.960 0.002 0.000 0.239 333 G C -0.491 174.314 174.900 -0.159 0.000 0.982 333 G CA 0.175 45.121 45.100 -0.257 0.000 0.650 333 G HN 0.281 nan 8.290 nan 0.000 0.527 334 I N 0.985 121.454 120.570 -0.168 0.000 2.474 334 I HA 0.469 4.640 4.170 0.002 0.000 0.294 334 I C 0.375 176.285 176.117 -0.346 0.000 1.005 334 I CA -1.339 59.780 61.300 -0.302 0.000 1.113 334 I CB 1.796 39.495 38.000 -0.502 0.000 1.289 334 I HN -0.142 nan 8.210 nan 0.000 0.436 335 V N 7.657 127.337 119.914 -0.390 0.000 2.320 335 V HA 0.218 4.339 4.120 0.002 0.000 0.265 335 V C -0.390 175.516 176.094 -0.313 0.000 1.048 335 V CA -0.476 61.621 62.300 -0.339 0.000 0.865 335 V CB -0.135 31.386 31.823 -0.503 0.000 1.043 335 V HN 0.394 nan 8.190 nan 0.000 0.474 336 Y N 2.491 122.690 120.300 -0.169 0.000 2.304 336 Y HA 0.496 5.047 4.550 0.002 0.000 0.327 336 Y C 1.004 176.825 175.900 -0.132 0.000 1.209 336 Y CA -0.282 57.740 58.100 -0.130 0.000 1.299 336 Y CB 1.240 39.643 38.460 -0.095 0.000 1.249 336 Y HN 0.461 nan 8.280 nan 0.000 0.519 337 T N 4.959 119.511 114.554 -0.004 0.000 3.066 337 T HA 0.534 4.885 4.350 0.002 0.000 0.318 337 T C -0.777 173.860 174.700 -0.105 0.000 0.979 337 T CA -0.729 61.324 62.100 -0.078 0.000 1.025 337 T CB 0.104 68.911 68.868 -0.102 0.000 1.002 337 T HN 0.376 nan 8.240 nan 0.000 0.453 338 L N 1.300 122.445 121.223 -0.130 0.000 2.303 338 L HA 0.664 5.005 4.340 0.002 0.000 0.266 338 L C 0.098 176.847 176.870 -0.201 0.000 1.011 338 L CA -1.328 53.398 54.840 -0.189 0.000 0.818 338 L CB 1.146 43.058 42.059 -0.244 0.000 1.326 338 L HN 0.461 nan 8.230 nan 0.000 0.435 339 D N 1.369 121.634 120.400 -0.224 0.000 2.358 339 D HA 0.010 4.651 4.640 0.002 0.000 0.258 339 D C 0.940 177.098 176.300 -0.235 0.000 1.223 339 D CA -0.278 53.605 54.000 -0.195 0.000 0.886 339 D CB 1.160 41.853 40.800 -0.177 0.000 1.120 339 D HN 0.603 nan 8.370 nan 0.000 0.482 340 R N 1.742 122.141 120.500 -0.168 0.000 2.346 340 R HA -0.051 4.290 4.340 0.002 0.000 0.199 340 R C 1.121 177.534 176.300 0.188 0.000 1.015 340 R CA 1.102 57.140 56.100 -0.104 0.000 1.058 340 R CB -0.300 29.788 30.300 -0.354 0.000 0.921 340 R HN 0.376 nan 8.270 nan 0.000 0.475 341 T N -2.712 111.878 114.554 0.060 0.000 3.034 341 T HA 0.026 4.377 4.350 0.002 0.000 0.248 341 T C 0.836 175.597 174.700 0.102 0.000 1.040 341 T CA 0.447 62.626 62.100 0.132 0.000 1.107 341 T CB 0.273 69.172 68.868 0.052 0.000 0.932 341 T HN 0.459 nan 8.240 nan 0.000 0.474 342 D N -0.432 119.901 120.400 -0.111 0.000 2.525 342 D HA 0.303 4.944 4.640 0.002 0.000 0.231 342 D C 1.451 177.420 176.300 -0.552 0.000 1.216 342 D CA 0.311 54.206 54.000 -0.174 0.000 0.813 342 D CB -0.344 40.375 40.800 -0.135 0.000 1.108 342 D HN 0.547 nan 8.370 nan 0.000 0.524 343 G N 0.176 108.366 108.800 -1.017 0.000 2.137 343 G HA2 -0.063 3.898 3.960 0.002 0.000 0.237 343 G HA3 -0.063 3.898 3.960 0.002 0.000 0.237 343 G C 0.480 175.106 174.900 -0.457 0.000 1.002 343 G CA 0.012 44.361 45.100 -1.251 0.000 0.702 343 G HN 0.854 nan 8.290 nan 0.000 0.515 344 A N -0.181 122.432 122.820 -0.344 0.000 2.440 344 A HA 0.682 5.003 4.320 0.002 0.000 0.251 344 A C 0.777 178.254 177.584 -0.178 0.000 1.089 344 A CA -0.159 51.760 52.037 -0.197 0.000 0.779 344 A CB 0.447 19.346 19.000 -0.169 0.000 1.022 344 A HN 0.913 nan 8.150 nan 0.000 0.492 345 L N 2.952 124.096 121.223 -0.132 0.000 2.410 345 L HA 0.143 4.484 4.340 0.002 0.000 0.273 345 L C 0.810 177.603 176.870 -0.128 0.000 1.152 345 L CA -0.141 54.587 54.840 -0.186 0.000 0.855 345 L CB 1.138 43.084 42.059 -0.189 0.000 1.129 345 L HN 0.612 nan 8.230 nan 0.000 0.463 346 V N 0.827 120.664 119.914 -0.127 0.000 3.359 346 V HA 0.158 4.279 4.120 0.002 0.000 0.245 346 V C 0.239 176.277 176.094 -0.094 0.000 1.247 346 V CA 0.760 62.997 62.300 -0.104 0.000 1.145 346 V CB 0.890 32.650 31.823 -0.105 0.000 0.906 346 V HN 0.870 nan 8.190 nan 0.000 0.464 347 S N -0.506 115.134 115.700 -0.101 0.000 2.586 347 S HA 0.774 5.245 4.470 0.002 0.000 0.277 347 S C -1.091 173.427 174.600 -0.137 0.000 1.131 347 S CA 0.035 58.177 58.200 -0.098 0.000 0.848 347 S CB 1.869 65.023 63.200 -0.078 0.000 1.091 347 S HN 1.036 nan 8.310 nan 0.000 0.453 348 A N 2.542 125.256 122.820 -0.177 0.000 2.768 348 A HA 0.666 4.987 4.320 0.002 0.000 0.298 348 A C -0.909 176.513 177.584 -0.270 0.000 1.159 348 A CA -0.742 51.085 52.037 -0.351 0.000 0.783 348 A CB 0.177 18.907 19.000 -0.450 0.000 1.333 348 A HN 0.692 nan 8.150 nan 0.000 0.412 349 N N 1.129 119.710 118.700 -0.199 0.000 2.459 349 N HA 0.382 5.123 4.740 0.002 0.000 0.288 349 N C -0.600 174.828 175.510 -0.137 0.000 1.186 349 N CA -0.482 52.508 53.050 -0.100 0.000 0.917 349 N CB 1.142 39.661 38.487 0.053 0.000 1.219 349 N HN 0.530 nan 8.380 nan 0.000 0.525 350 K N 0.939 121.304 120.400 -0.058 0.000 2.270 350 K HA 0.203 4.524 4.320 0.002 0.000 0.276 350 K C 1.192 177.779 176.600 -0.022 0.000 1.023 350 K CA -0.279 55.973 56.287 -0.058 0.000 0.955 350 K CB 1.071 33.550 32.500 -0.034 0.000 0.975 350 K HN 0.357 nan 8.250 nan 0.000 0.471 351 L N 0.922 122.124 121.223 -0.035 0.000 2.083 351 L HA -0.157 4.184 4.340 0.002 0.000 0.209 351 L C 0.660 177.452 176.870 -0.130 0.000 1.083 351 L CA 1.409 56.235 54.840 -0.023 0.000 0.752 351 L CB -0.069 42.017 42.059 0.046 0.000 0.899 351 L HN 0.732 nan 8.230 nan 0.000 0.433 352 D N -2.383 117.989 120.400 -0.047 0.000 2.661 352 D HA 0.084 4.725 4.640 0.002 0.000 0.228 352 D C -0.160 176.124 176.300 -0.027 0.000 1.183 352 D CA -0.531 53.403 54.000 -0.110 0.000 0.844 352 D CB 1.370 42.127 40.800 -0.072 0.000 1.555 352 D HN 0.079 nan 8.370 nan 0.000 0.453 353 D N -0.292 120.074 120.400 -0.057 0.000 2.371 353 D HA -0.092 4.549 4.640 0.002 0.000 0.221 353 D C 1.302 177.603 176.300 0.002 0.000 0.986 353 D CA 0.841 54.826 54.000 -0.025 0.000 0.899 353 D CB -0.249 40.531 40.800 -0.033 0.000 0.902 353 D HN 0.342 nan 8.370 nan 0.000 0.530 354 T N -2.443 112.144 114.554 0.054 0.000 3.148 354 T HA 0.090 4.441 4.350 0.002 0.000 0.253 354 T C 0.862 175.563 174.700 0.002 0.000 1.134 354 T CA -0.422 61.714 62.100 0.060 0.000 1.051 354 T CB -0.488 68.468 68.868 0.147 0.000 0.959 354 T HN -0.031 nan 8.240 nan 0.000 0.525 355 V N 4.456 124.367 119.914 -0.003 0.000 2.540 355 V HA 0.130 4.251 4.120 0.002 0.000 0.297 355 V C 1.074 177.017 176.094 -0.252 0.000 1.024 355 V CA 0.348 62.530 62.300 -0.196 0.000 1.105 355 V CB -0.015 31.698 31.823 -0.183 0.000 0.938 355 V HN 0.803 nan 8.190 nan 0.000 0.482 356 N N 3.786 122.235 118.700 -0.418 0.000 2.143 356 N HA -0.011 4.730 4.740 0.002 0.000 0.222 356 N C 0.761 175.971 175.510 -0.501 0.000 1.264 356 N CA 0.242 53.010 53.050 -0.471 0.000 0.897 356 N CB 0.610 38.646 38.487 -0.752 0.000 1.092 356 N HN 0.331 nan 8.380 nan 0.000 0.516 357 V N -0.626 118.928 119.914 -0.601 0.000 2.667 357 V HA 0.264 4.385 4.120 0.002 0.000 0.252 357 V C -0.718 175.018 176.094 -0.597 0.000 1.065 357 V CA 1.151 63.014 62.300 -0.727 0.000 1.083 357 V CB -0.405 30.632 31.823 -1.311 0.000 0.692 357 V HN 0.121 nan 8.190 nan 0.000 0.468 358 F N -0.184 119.634 119.950 -0.221 0.000 2.540 358 F HA 0.562 5.090 4.527 0.001 0.000 0.317 358 F C 0.877 176.623 175.800 -0.090 0.000 1.104 358 F CA -1.505 56.420 58.000 -0.126 0.000 0.913 358 F CB 1.789 40.705 39.000 -0.141 0.000 1.170 358 F HN -0.282 nan 8.300 nan 0.000 0.450 359 K N 0.841 121.344 120.400 0.170 0.000 2.057 359 K HA 0.032 4.353 4.320 0.002 0.000 0.206 359 K C 0.430 177.061 176.600 0.053 0.000 1.050 359 K CA 1.205 57.543 56.287 0.084 0.000 0.935 359 K CB 0.015 32.561 32.500 0.076 0.000 0.715 359 K HN 0.781 nan 8.250 nan 0.000 0.439 360 S N -1.844 113.883 115.700 0.045 0.000 2.669 360 S HA 0.285 4.756 4.470 0.002 0.000 0.266 360 S C -1.197 173.354 174.600 -0.081 0.000 1.149 360 S CA -1.093 57.098 58.200 -0.016 0.000 0.842 360 S CB 1.470 64.659 63.200 -0.017 0.000 1.160 360 S HN -0.193 nan 8.310 nan 0.000 0.487 361 V N 2.235 122.085 119.914 -0.107 0.000 2.349 361 V HA 0.421 4.542 4.120 0.002 0.000 0.284 361 V C -0.538 175.519 176.094 -0.062 0.000 1.014 361 V CA -0.566 61.658 62.300 -0.126 0.000 0.826 361 V CB 1.110 32.834 31.823 -0.165 0.000 1.009 361 V HN 0.937 nan 8.190 nan 0.000 0.431 362 D N 4.319 124.699 120.400 -0.034 0.000 2.389 362 D HA 0.054 4.695 4.640 0.002 0.000 0.263 362 D C 1.094 177.406 176.300 0.019 0.000 1.255 362 D CA 0.223 54.220 54.000 -0.004 0.000 0.914 362 D CB 1.143 41.948 40.800 0.009 0.000 1.116 362 D HN 0.483 nan 8.370 nan 0.000 0.502 363 L N 3.449 124.673 121.223 0.002 0.000 2.275 363 L HA -0.125 4.216 4.340 0.002 0.000 0.215 363 L C 2.072 178.969 176.870 0.046 0.000 1.119 363 L CA 0.877 55.722 54.840 0.008 0.000 0.790 363 L CB -0.055 41.990 42.059 -0.024 0.000 0.919 363 L HN 0.247 nan 8.230 nan 0.000 0.443 364 K N -0.853 119.567 120.400 0.033 0.000 2.334 364 K HA -0.009 4.312 4.320 0.002 0.000 0.195 364 K C 1.927 178.564 176.600 0.061 0.000 1.045 364 K CA 0.958 57.259 56.287 0.023 0.000 1.004 364 K CB 0.291 32.774 32.500 -0.028 0.000 0.837 364 K HN 0.266 nan 8.250 nan 0.000 0.510 365 T N -3.645 110.974 114.554 0.107 0.000 3.057 365 T HA 0.166 4.517 4.350 0.002 0.000 0.254 365 T C 1.586 176.478 174.700 0.319 0.000 1.094 365 T CA 0.484 62.698 62.100 0.190 0.000 1.088 365 T CB 0.381 69.309 68.868 0.101 0.000 0.934 365 T HN 0.222 nan 8.240 nan 0.000 0.497 366 G N 1.204 110.157 108.800 0.256 0.000 2.189 366 G HA2 -0.242 3.719 3.960 0.002 0.000 0.267 366 G HA3 -0.242 3.719 3.960 0.002 0.000 0.267 366 G C 0.020 175.049 174.900 0.214 0.000 0.975 366 G CA 0.178 45.453 45.100 0.292 0.000 0.644 366 G HN 0.641 nan 8.290 nan 0.000 0.537 367 Q N 0.822 120.683 119.800 0.101 0.000 2.230 367 Q HA 0.453 4.794 4.340 0.002 0.000 0.248 367 Q C -2.388 173.567 176.000 -0.075 0.000 0.915 367 Q CA -1.722 54.080 55.803 -0.002 0.000 0.900 367 Q CB 1.982 30.722 28.738 0.004 0.000 1.229 367 Q HN 0.364 nan 8.270 nan 0.000 0.439 368 P HA 0.151 nan 4.420 nan 0.000 0.293 368 P C -0.446 176.697 177.300 -0.262 0.000 1.300 368 P CA -0.459 62.373 63.100 -0.447 0.000 0.792 368 P CB 0.985 31.997 31.700 -1.146 0.000 0.925 369 V N 5.589 125.430 119.914 -0.121 0.000 2.403 369 V HA 0.086 4.207 4.120 0.002 0.000 0.265 369 V C 1.260 177.460 176.094 0.177 0.000 1.034 369 V CA -0.026 62.290 62.300 0.027 0.000 1.036 369 V CB -0.919 30.923 31.823 0.032 0.000 1.032 369 V HN 0.454 nan 8.190 nan 0.000 0.478 370 R N 3.217 123.861 120.500 0.240 0.000 2.438 370 R HA 0.239 4.580 4.340 0.002 0.000 0.287 370 R C -0.028 176.413 176.300 0.235 0.000 1.077 370 R CA -0.430 55.887 56.100 0.361 0.000 1.034 370 R CB 0.644 31.159 30.300 0.358 0.000 0.993 370 R HN 0.635 nan 8.270 nan 0.000 0.459 371 D N 4.466 125.003 120.400 0.228 0.000 2.456 371 D HA 0.148 4.789 4.640 0.002 0.000 0.219 371 D C -1.724 174.690 176.300 0.189 0.000 1.126 371 D CA -2.506 51.610 54.000 0.193 0.000 0.890 371 D CB 1.429 42.369 40.800 0.234 0.000 1.025 371 D HN 0.186 nan 8.370 nan 0.000 0.511 372 P HA -0.192 nan 4.420 nan 0.000 0.218 372 P C 1.101 178.422 177.300 0.034 0.000 1.152 372 P CA 0.905 64.056 63.100 0.085 0.000 0.857 372 P CB 0.338 32.064 31.700 0.042 0.000 0.787 373 E N -2.052 118.124 120.200 -0.041 0.000 2.333 373 E HA -0.181 4.170 4.350 0.002 0.000 0.200 373 E C 0.550 176.853 176.600 -0.496 0.000 1.010 373 E CA 1.141 57.373 56.400 -0.279 0.000 0.841 373 E CB -0.196 29.256 29.700 -0.413 0.000 0.757 373 E HN 0.495 nan 8.360 nan 0.000 0.508 374 Y N -1.300 119.056 120.300 0.093 0.000 2.641 374 Y HA 0.298 4.849 4.550 0.002 0.000 0.248 374 Y C 1.093 177.127 175.900 0.223 0.000 1.170 374 Y CA -0.173 57.989 58.100 0.102 0.000 1.201 374 Y CB 0.781 39.237 38.460 -0.007 0.000 1.232 374 Y HN -0.137 nan 8.280 nan 0.000 0.537 375 G N 0.462 109.440 108.800 0.297 0.000 2.621 375 G HA2 0.439 4.400 3.960 0.002 0.000 0.271 375 G HA3 0.439 4.400 3.960 0.002 0.000 0.271 375 G C -0.058 174.864 174.900 0.038 0.000 1.236 375 G CA -0.065 45.184 45.100 0.248 0.000 0.958 375 G HN 0.114 nan 8.290 nan 0.000 0.512 376 T N -2.752 111.649 114.554 -0.256 0.000 2.924 376 T HA 0.822 5.173 4.350 0.002 0.000 0.291 376 T C -0.378 174.272 174.700 -0.084 0.000 1.045 376 T CA -0.864 61.108 62.100 -0.214 0.000 1.015 376 T CB 2.232 70.682 68.868 -0.697 0.000 1.103 376 T HN 1.141 nan 8.240 nan 0.000 0.496 377 R N 0.698 121.249 120.500 0.086 0.000 2.765 377 R HA 0.516 4.857 4.340 0.002 0.000 0.277 377 R C -1.163 175.230 176.300 0.156 0.000 1.028 377 R CA -1.107 55.049 56.100 0.093 0.000 0.860 377 R CB 0.792 31.131 30.300 0.065 0.000 1.270 377 R HN 0.618 nan 8.270 nan 0.000 0.484 378 M N 2.054 121.722 119.600 0.114 0.000 2.246 378 M HA 0.069 4.550 4.480 0.002 0.000 0.327 378 M C -0.220 176.163 176.300 0.138 0.000 1.090 378 M CA 1.570 56.942 55.300 0.119 0.000 1.087 378 M CB -0.226 32.426 32.600 0.086 0.000 1.587 378 M HN 0.766 nan 8.290 nan 0.000 0.444 379 D N 0.827 121.310 120.400 0.139 0.000 3.012 379 D HA -0.242 4.399 4.640 0.002 0.000 0.222 379 D C -0.879 175.540 176.300 0.198 0.000 1.167 379 D CA 1.446 55.526 54.000 0.134 0.000 0.854 379 D CB -1.661 39.197 40.800 0.098 0.000 1.107 379 D HN 0.815 nan 8.370 nan 0.000 0.421 380 H N -0.686 118.436 119.070 0.087 0.000 2.961 380 H HA 0.624 5.181 4.556 0.002 0.000 0.371 380 H C -1.647 173.754 175.328 0.121 0.000 1.190 380 H CA -0.970 55.129 56.048 0.085 0.000 1.138 380 H CB 1.242 31.043 29.762 0.066 0.000 1.816 380 H HN -0.030 nan 8.280 nan 0.000 0.551 381 L N 3.468 124.359 121.223 -0.554 0.000 2.324 381 L HA 0.758 5.099 4.340 0.002 0.000 0.274 381 L C -0.745 175.789 176.870 -0.560 0.000 1.012 381 L CA -0.340 54.286 54.840 -0.356 0.000 0.859 381 L CB 0.387 42.386 42.059 -0.101 0.000 1.224 381 L HN 0.767 nan 8.230 nan 0.000 0.429 382 A N 5.245 127.893 122.820 -0.287 0.000 2.363 382 A HA 0.640 4.961 4.320 0.002 0.000 0.270 382 A C -0.237 177.404 177.584 0.096 0.000 1.121 382 A CA -0.287 51.706 52.037 -0.072 0.000 0.800 382 A CB 0.255 19.304 19.000 0.083 0.000 1.052 382 A HN 0.723 nan 8.150 nan 0.000 0.493 383 K N 1.254 121.732 120.400 0.130 0.000 2.375 383 K HA 0.406 4.727 4.320 0.002 0.000 0.249 383 K C -1.129 175.650 176.600 0.298 0.000 0.942 383 K CA -0.919 55.492 56.287 0.207 0.000 0.806 383 K CB 1.628 34.215 32.500 0.144 0.000 1.227 383 K HN 0.711 nan 8.250 nan 0.000 0.430 384 D N 1.531 122.142 120.400 0.352 0.000 2.699 384 D HA -0.188 4.453 4.640 0.002 0.000 0.239 384 D C -0.465 175.972 176.300 0.228 0.000 1.136 384 D CA 0.948 55.150 54.000 0.337 0.000 0.668 384 D CB -0.933 40.047 40.800 0.299 0.000 1.060 384 D HN 0.417 nan 8.370 nan 0.000 0.429 385 I N 0.406 121.081 120.570 0.176 0.000 2.428 385 I HA 0.200 4.371 4.170 0.002 0.000 0.289 385 I C 0.773 176.795 176.117 -0.159 0.000 1.019 385 I CA -0.214 61.102 61.300 0.026 0.000 1.351 385 I CB 1.364 39.434 38.000 0.116 0.000 1.412 385 I HN 0.053 nan 8.210 nan 0.000 0.513 386 c N 6.678 125.068 118.600 -0.351 0.000 2.482 386 c HA 0.483 5.054 4.570 0.002 0.000 0.317 386 c C -2.398 171.257 174.090 -0.724 0.000 1.197 386 c CA -1.383 54.677 56.329 -0.448 0.000 1.432 386 c CB 1.748 44.078 42.510 -0.300 0.000 2.062 386 c HN 0.457 nan 8.230 nan 0.000 0.471 387 P HA 0.303 nan 4.420 nan 0.000 0.276 387 P C -0.169 177.019 177.300 -0.187 0.000 1.261 387 P CA -0.098 62.471 63.100 -0.884 0.000 0.800 387 P CB 0.666 31.691 31.700 -1.125 0.000 1.066 388 S N 0.016 115.718 115.700 0.004 0.000 2.661 388 S HA 0.414 4.885 4.470 0.002 0.000 0.265 388 S C 1.459 176.259 174.600 0.332 0.000 1.225 388 S CA 0.079 58.368 58.200 0.148 0.000 0.986 388 S CB -0.040 63.205 63.200 0.074 0.000 1.008 388 S HN 0.442 nan 8.310 nan 0.000 0.565 389 A N 0.454 123.510 122.820 0.394 0.000 2.024 389 A HA -0.078 4.243 4.320 0.002 0.000 0.220 389 A C 2.138 180.076 177.584 0.589 0.000 1.164 389 A CA 1.619 53.937 52.037 0.468 0.000 0.643 389 A CB -1.067 18.227 19.000 0.489 0.000 0.806 389 A HN 0.834 nan 8.150 nan 0.000 0.451 390 M N -0.840 119.027 119.600 0.445 0.000 2.557 390 M HA 0.137 4.618 4.480 0.002 0.000 0.259 390 M C 1.219 177.795 176.300 0.461 0.000 1.086 390 M CA 0.665 56.274 55.300 0.514 0.000 1.096 390 M CB -0.674 32.090 32.600 0.273 0.000 1.424 390 M HN 0.599 nan 8.290 nan 0.000 0.488 391 G N -0.167 108.842 108.800 0.348 0.000 2.880 391 G HA2 -0.275 3.686 3.960 0.002 0.000 0.617 391 G HA3 -0.275 3.686 3.960 0.002 0.000 0.617 391 G C -0.430 174.656 174.900 0.311 0.000 1.493 391 G CA -0.639 44.576 45.100 0.191 0.000 0.916 391 G HN 0.310 nan 8.290 nan 0.000 0.553 392 Y N 1.075 121.363 120.300 -0.021 0.000 2.529 392 Y HA 0.245 4.796 4.550 0.002 0.000 0.290 392 Y C 1.440 177.385 175.900 0.074 0.000 1.177 392 Y CA 0.885 58.993 58.100 0.013 0.000 1.305 392 Y CB 0.008 38.436 38.460 -0.054 0.000 1.047 392 Y HN 0.692 nan 8.280 nan 0.000 0.522 393 H N -0.392 118.760 119.070 0.137 0.000 3.137 393 H HA 0.231 4.788 4.556 0.002 0.000 0.336 393 H C -1.127 174.198 175.328 -0.004 0.000 1.055 393 H CA -0.393 55.685 56.048 0.050 0.000 1.349 393 H CB 1.178 30.957 29.762 0.028 0.000 1.939 393 H HN 0.078 nan 8.280 nan 0.000 0.487 394 N N 1.000 119.662 118.700 -0.064 0.000 3.178 394 N HA -0.011 4.730 4.740 0.002 0.000 0.352 394 N C 1.148 176.668 175.510 0.017 0.000 1.423 394 N CA -0.286 52.684 53.050 -0.133 0.000 0.698 394 N CB 1.189 39.157 38.487 -0.865 0.000 1.400 394 N HN 0.675 nan 8.380 nan 0.000 0.586 395 Q N 0.803 120.581 119.800 -0.036 0.000 2.376 395 Q HA -0.070 4.271 4.340 0.002 0.000 0.211 395 Q C 0.150 176.433 176.000 0.471 0.000 0.986 395 Q CA 0.965 56.926 55.803 0.263 0.000 0.886 395 Q CB -0.913 28.071 28.738 0.409 0.000 0.927 395 Q HN 0.609 nan 8.270 nan 0.000 0.457 396 G N 1.018 109.954 108.800 0.226 0.000 2.391 396 G HA2 -0.120 3.841 3.960 0.002 0.000 0.234 396 G HA3 -0.120 3.841 3.960 0.002 0.000 0.234 396 G C -0.867 174.294 174.900 0.435 0.000 1.284 396 G CA -0.152 45.162 45.100 0.357 0.000 0.873 396 G HN 0.430 nan 8.290 nan 0.000 0.549 397 H N 2.173 121.354 119.070 0.185 0.000 2.581 397 H HA 0.262 4.819 4.556 0.002 0.000 0.308 397 H C -0.294 175.010 175.328 -0.039 0.000 1.040 397 H CA -0.670 55.245 56.048 -0.221 0.000 1.231 397 H CB 0.722 29.896 29.762 -0.980 0.000 1.396 397 H HN 0.471 nan 8.280 nan 0.000 0.467 398 D N 1.945 122.434 120.400 0.147 0.000 2.425 398 D HA 0.187 4.828 4.640 0.002 0.000 0.274 398 D C 0.315 176.838 176.300 0.371 0.000 1.242 398 D CA -0.186 53.992 54.000 0.296 0.000 1.060 398 D CB 0.796 41.778 40.800 0.304 0.000 1.112 398 D HN 0.614 nan 8.370 nan 0.000 0.561 399 S N -1.571 114.391 115.700 0.437 0.000 2.651 399 S HA 0.591 5.062 4.470 0.002 0.000 0.279 399 S C -1.518 173.407 174.600 0.542 0.000 1.148 399 S CA -0.943 57.550 58.200 0.488 0.000 0.837 399 S CB 1.841 65.342 63.200 0.502 0.000 1.138 399 S HN 0.494 nan 8.310 nan 0.000 0.478 400 Y N 0.956 121.422 120.300 0.276 0.000 2.386 400 Y HA 0.503 5.054 4.550 0.002 0.000 0.334 400 Y C -1.514 174.338 175.900 -0.080 0.000 1.002 400 Y CA -0.727 57.337 58.100 -0.060 0.000 1.068 400 Y CB 1.715 39.981 38.460 -0.323 0.000 1.203 400 Y HN 0.846 nan 8.280 nan 0.000 0.443 401 D N 8.257 128.222 120.400 -0.725 0.000 2.380 401 D HA 0.260 4.901 4.640 0.002 0.000 0.230 401 D C -2.082 173.370 176.300 -1.414 0.000 1.154 401 D CA -2.182 51.321 54.000 -0.828 0.000 0.859 401 D CB 2.057 42.763 40.800 -0.156 0.000 1.045 401 D HN 0.404 nan 8.370 nan 0.000 0.495 402 P HA -0.097 nan 4.420 nan 0.000 0.220 402 P C 1.274 178.253 177.300 -0.536 0.000 1.148 402 P CA 0.805 63.405 63.100 -0.833 0.000 0.803 402 P CB 0.451 31.863 31.700 -0.479 0.000 0.782 403 K N -0.210 119.895 120.400 -0.492 0.000 2.076 403 K HA -0.016 4.305 4.320 0.002 0.000 0.204 403 K C 1.972 178.440 176.600 -0.220 0.000 1.051 403 K CA 1.062 57.194 56.287 -0.257 0.000 0.949 403 K CB 0.016 32.422 32.500 -0.156 0.000 0.726 403 K HN 0.048 nan 8.250 nan 0.000 0.443 404 R N 0.415 120.754 120.500 -0.267 0.000 2.276 404 R HA 0.038 4.379 4.340 0.002 0.000 0.196 404 R C -0.118 176.017 176.300 -0.275 0.000 0.961 404 R CA 0.244 56.228 56.100 -0.195 0.000 1.024 404 R CB 0.212 30.452 30.300 -0.101 0.000 0.940 404 R HN 0.242 nan 8.270 nan 0.000 0.480 405 E N 0.265 120.200 120.200 -0.441 0.000 2.476 405 E HA -0.212 4.139 4.350 0.002 0.000 0.251 405 E C -1.135 175.259 176.600 -0.344 0.000 1.130 405 E CA 0.217 56.407 56.400 -0.350 0.000 0.736 405 E CB -1.015 28.604 29.700 -0.135 0.000 1.298 405 E HN 0.046 nan 8.360 nan 0.000 0.400 406 L N 0.432 121.291 121.223 -0.606 0.000 2.346 406 L HA 0.527 4.867 4.340 0.002 0.000 0.276 406 L C -0.352 176.057 176.870 -0.769 0.000 1.006 406 L CA -0.166 54.305 54.840 -0.615 0.000 0.817 406 L CB 1.054 42.704 42.059 -0.683 0.000 1.272 406 L HN 0.000 nan 8.230 nan 0.000 0.421 407 F N 3.410 123.165 119.950 -0.325 0.000 2.415 407 F HA 0.465 4.993 4.527 0.002 0.000 0.348 407 F C -0.344 175.242 175.800 -0.356 0.000 1.119 407 F CA -0.293 57.625 58.000 -0.137 0.000 1.069 407 F CB 0.846 39.894 39.000 0.081 0.000 1.124 407 F HN 0.176 nan 8.300 nan 0.000 0.472 408 F N 4.308 124.414 119.950 0.260 0.000 2.334 408 F HA 0.488 5.016 4.527 0.002 0.000 0.367 408 F C -0.011 175.895 175.800 0.177 0.000 1.115 408 F CA -0.696 57.387 58.000 0.138 0.000 1.116 408 F CB 0.624 39.735 39.000 0.185 0.000 1.230 408 F HN 0.218 nan 8.300 nan 0.000 0.484 409 M N 2.368 122.115 119.600 0.245 0.000 2.404 409 M HA 0.526 5.007 4.480 0.002 0.000 0.338 409 M C 0.445 176.822 176.300 0.128 0.000 1.150 409 M CA -0.754 54.689 55.300 0.238 0.000 1.016 409 M CB 1.824 34.563 32.600 0.232 0.000 1.672 409 M HN 0.676 nan 8.290 nan 0.000 0.448 410 G N 4.082 112.931 108.800 0.082 0.000 2.393 410 G HA2 0.525 4.486 3.960 0.002 0.000 0.311 410 G HA3 0.525 4.486 3.960 0.002 0.000 0.311 410 G C -0.302 174.505 174.900 -0.155 0.000 1.067 410 G CA -0.437 44.636 45.100 -0.043 0.000 1.000 410 G HN 0.503 nan 8.290 nan 0.000 0.422 411 I N 1.573 122.103 120.570 -0.067 0.000 2.664 411 I HA 0.362 4.533 4.170 0.002 0.000 0.308 411 I C -0.349 175.765 176.117 -0.005 0.000 0.984 411 I CA -1.311 59.954 61.300 -0.058 0.000 1.213 411 I CB 1.581 39.546 38.000 -0.059 0.000 1.379 411 I HN 0.243 nan 8.210 nan 0.000 0.501 412 N N 1.657 120.367 118.700 0.016 0.000 2.399 412 N HA 0.285 5.026 4.740 0.002 0.000 0.295 412 N C -0.787 174.669 175.510 -0.089 0.000 1.048 412 N CA -0.384 52.731 53.050 0.108 0.000 0.886 412 N CB 0.922 39.565 38.487 0.260 0.000 1.185 412 N HN 0.477 nan 8.380 nan 0.000 0.487 413 H N 1.821 120.789 119.070 -0.168 0.000 2.418 413 H HA 0.538 5.095 4.556 0.002 0.000 0.238 413 H C -1.138 174.130 175.328 -0.100 0.000 1.403 413 H CA -0.307 55.543 56.048 -0.331 0.000 1.419 413 H CB -0.374 29.234 29.762 -0.257 0.000 1.463 413 H HN 0.443 nan 8.280 nan 0.000 0.515 414 I N 2.823 123.365 120.570 -0.046 0.000 2.534 414 I HA 0.301 4.472 4.170 0.002 0.000 0.288 414 I C -0.433 175.672 176.117 -0.021 0.000 1.077 414 I CA -0.639 60.632 61.300 -0.049 0.000 1.051 414 I CB 1.683 39.693 38.000 0.018 0.000 1.234 414 I HN 0.396 nan 8.210 nan 0.000 0.425 415 c N 5.570 124.014 118.600 -0.259 0.000 2.564 415 c HA 0.880 5.451 4.570 0.002 0.000 0.381 415 c C -0.008 173.691 174.090 -0.651 0.000 1.297 415 c CA -0.606 55.524 56.329 -0.331 0.000 1.846 415 c CB 1.718 44.076 42.510 -0.252 0.000 2.198 415 c HN 0.888 nan 8.230 nan 0.000 0.507 416 M N 0.153 119.507 119.600 -0.410 0.000 2.578 416 M HA 0.612 5.093 4.480 0.002 0.000 0.276 416 M C -2.322 174.051 176.300 0.122 0.000 1.245 416 M CA -0.265 54.897 55.300 -0.230 0.000 0.871 416 M CB 1.864 34.508 32.600 0.072 0.000 1.722 416 M HN 0.357 nan 8.290 nan 0.000 0.473 417 D N 1.498 122.068 120.400 0.283 0.000 2.181 417 D HA 0.582 5.223 4.640 0.002 0.000 0.248 417 D C -1.752 174.767 176.300 0.366 0.000 1.020 417 D CA 0.401 54.601 54.000 0.333 0.000 0.891 417 D CB 1.892 42.882 40.800 0.318 0.000 1.187 417 D HN 0.616 nan 8.370 nan 0.000 0.443 418 W N 1.896 123.258 121.300 0.103 0.000 3.274 418 W HA 0.368 5.029 4.660 0.001 0.000 0.327 418 W C -1.647 174.897 176.519 0.041 0.000 1.172 418 W CA -0.638 56.764 57.345 0.094 0.000 1.217 418 W CB 1.502 31.021 29.460 0.097 0.000 1.376 418 W HN 0.447 nan 8.180 nan 0.000 0.507 419 E N 7.536 127.785 120.200 0.082 0.000 2.349 419 E HA 0.349 4.700 4.350 0.002 0.000 0.290 419 E C -2.726 173.874 176.600 0.000 0.000 0.901 419 E CA -1.402 55.087 56.400 0.149 0.000 0.800 419 E CB 2.937 32.699 29.700 0.103 0.000 1.303 419 E HN -0.006 nan 8.360 nan 0.000 0.397 420 P HA 0.375 nan 4.420 nan 0.000 0.279 420 P C -0.851 176.483 177.300 0.058 0.000 1.282 420 P CA -0.332 62.740 63.100 -0.046 0.000 0.788 420 P CB 0.484 32.239 31.700 0.092 0.000 1.139 421 F N -3.055 116.889 119.950 -0.011 0.000 2.678 421 F HA 0.483 5.011 4.527 0.001 0.000 0.308 421 F C -0.832 174.963 175.800 -0.009 0.000 1.118 421 F CA -1.600 56.394 58.000 -0.009 0.000 0.959 421 F CB 0.377 39.358 39.000 -0.033 0.000 1.305 421 F HN -0.024 nan 8.300 nan 0.000 0.443 422 M N 3.998 123.768 119.600 0.284 0.000 2.240 422 M HA 0.659 5.140 4.480 0.002 0.000 0.333 422 M C -0.343 176.134 176.300 0.294 0.000 1.110 422 M CA -0.332 55.086 55.300 0.196 0.000 1.173 422 M CB 0.876 33.566 32.600 0.150 0.000 1.458 422 M HN 0.902 nan 8.290 nan 0.000 0.458 423 L N 0.797 122.150 121.223 0.216 0.000 2.731 423 L HA 0.690 5.031 4.340 0.002 0.000 0.256 423 L C -2.994 174.053 176.870 0.294 0.000 0.947 423 L CA -1.580 53.411 54.840 0.252 0.000 0.914 423 L CB 1.741 43.985 42.059 0.307 0.000 1.470 423 L HN 0.392 nan 8.230 nan 0.000 0.421 424 P HA 0.250 nan 4.420 nan 0.000 0.274 424 P C -1.784 175.686 177.300 0.284 0.000 1.246 424 P CA 0.015 63.254 63.100 0.230 0.000 0.795 424 P CB 0.361 32.130 31.700 0.115 0.000 1.006 425 Y N 1.047 121.349 120.300 0.005 0.000 2.331 425 Y HA 0.446 4.997 4.550 0.001 0.000 0.338 425 Y C -0.224 175.559 175.900 -0.194 0.000 0.976 425 Y CA -0.630 57.291 58.100 -0.299 0.000 1.137 425 Y CB 1.151 39.150 38.460 -0.768 0.000 1.172 425 Y HN 0.182 nan 8.280 nan 0.000 0.478 426 R N 5.492 125.454 120.500 -0.897 0.000 2.422 426 R HA 0.569 4.910 4.340 0.002 0.000 0.307 426 R C -0.583 175.172 176.300 -0.909 0.000 1.004 426 R CA -0.969 54.708 56.100 -0.705 0.000 0.882 426 R CB 1.485 31.596 30.300 -0.315 0.000 1.164 426 R HN 0.874 nan 8.270 nan 0.000 0.489 427 A N 1.390 123.667 122.820 -0.904 0.000 2.598 427 A HA 0.296 4.617 4.320 0.002 0.000 0.239 427 A C 1.398 178.792 177.584 -0.317 0.000 1.032 427 A CA 1.445 53.180 52.037 -0.504 0.000 0.760 427 A CB -0.284 18.622 19.000 -0.156 0.000 0.946 427 A HN 1.050 nan 8.150 nan 0.000 0.512 428 G N 1.374 110.021 108.800 -0.255 0.000 2.213 428 G HA2 -0.179 3.782 3.960 0.002 0.000 0.226 428 G HA3 -0.179 3.782 3.960 0.002 0.000 0.226 428 G C 0.149 174.905 174.900 -0.240 0.000 0.992 428 G CA 0.432 45.408 45.100 -0.206 0.000 0.632 428 G HN 0.960 nan 8.290 nan 0.000 0.511 429 Q N -0.668 118.973 119.800 -0.265 0.000 2.297 429 Q HA 0.676 5.017 4.340 0.002 0.000 0.268 429 Q C -0.438 175.458 176.000 -0.174 0.000 1.045 429 Q CA -1.041 54.648 55.803 -0.190 0.000 0.861 429 Q CB 1.481 30.153 28.738 -0.109 0.000 1.344 429 Q HN 0.147 nan 8.270 nan 0.000 0.452 430 F N 1.010 120.941 119.950 -0.032 0.000 2.553 430 F HA -0.004 4.524 4.527 0.001 0.000 0.356 430 F C 0.477 176.347 175.800 0.117 0.000 1.142 430 F CA 0.632 58.632 58.000 -0.001 0.000 1.322 430 F CB 0.270 39.224 39.000 -0.076 0.000 1.126 430 F HN 0.442 nan 8.300 nan 0.000 0.599 431 F N 3.296 123.310 119.950 0.106 0.000 2.566 431 F HA 0.378 4.905 4.527 0.001 0.000 0.347 431 F C -0.167 175.617 175.800 -0.025 0.000 1.515 431 F CA -0.502 57.547 58.000 0.081 0.000 1.103 431 F CB -0.353 38.762 39.000 0.192 0.000 1.385 431 F HN 0.174 nan 8.300 nan 0.000 0.560 432 V N 1.059 120.816 119.914 -0.262 0.000 2.326 432 V HA 0.223 4.344 4.120 0.002 0.000 0.238 432 V C 1.722 177.389 176.094 -0.712 0.000 1.038 432 V CA 1.232 63.102 62.300 -0.716 0.000 1.032 432 V CB -1.063 30.158 31.823 -1.003 0.000 0.675 432 V HN 0.707 nan 8.190 nan 0.000 0.467 433 G N 0.529 108.855 108.800 -0.790 0.000 2.298 433 G HA2 0.177 4.138 3.960 0.002 0.000 0.287 433 G HA3 0.177 4.138 3.960 0.002 0.000 0.287 433 G C -0.071 173.954 174.900 -1.459 0.000 1.075 433 G CA 0.482 44.734 45.100 -1.413 0.000 0.960 433 G HN 1.536 nan 8.290 nan 0.000 0.502 434 A N -1.134 120.929 122.820 -1.261 0.000 2.565 434 A HA 0.887 5.208 4.320 0.002 0.000 0.298 434 A C -0.322 177.040 177.584 -0.369 0.000 1.062 434 A CA 0.548 52.143 52.037 -0.736 0.000 0.723 434 A CB 1.298 19.868 19.000 -0.715 0.000 1.282 434 A HN 1.872 nan 8.150 nan 0.000 0.400 435 T N 2.471 116.916 114.554 -0.181 0.000 2.786 435 T HA 0.638 4.989 4.350 0.002 0.000 0.283 435 T C -0.696 173.928 174.700 -0.126 0.000 0.992 435 T CA -0.254 61.815 62.100 -0.053 0.000 0.954 435 T CB -0.261 68.655 68.868 0.080 0.000 0.934 435 T HN 0.543 nan 8.240 nan 0.000 0.440 436 L N 4.300 125.491 121.223 -0.054 0.000 2.335 436 L HA 0.737 5.078 4.340 0.002 0.000 0.268 436 L C 0.061 177.003 176.870 0.120 0.000 1.016 436 L CA -0.783 54.086 54.840 0.048 0.000 0.805 436 L CB 1.533 43.678 42.059 0.144 0.000 1.311 436 L HN 0.798 nan 8.230 nan 0.000 0.456 437 N N 0.451 119.256 118.700 0.176 0.000 2.572 437 N HA 0.530 5.271 4.740 0.002 0.000 0.287 437 N C -1.639 174.005 175.510 0.224 0.000 1.136 437 N CA -0.263 52.916 53.050 0.215 0.000 0.900 437 N CB 0.904 39.537 38.487 0.243 0.000 1.484 437 N HN 0.513 nan 8.380 nan 0.000 0.526 438 M N 2.543 122.240 119.600 0.162 0.000 2.644 438 M HA 0.590 5.071 4.480 0.002 0.000 0.316 438 M C -1.080 175.290 176.300 0.116 0.000 1.200 438 M CA -0.786 54.484 55.300 -0.050 0.000 0.944 438 M CB 1.658 34.224 32.600 -0.058 0.000 1.691 438 M HN 0.599 nan 8.290 nan 0.000 0.471 439 Y N -1.892 118.422 120.300 0.024 0.000 2.750 439 Y HA 0.680 5.231 4.550 0.002 0.000 0.335 439 Y C -3.183 172.592 175.900 -0.207 0.000 1.252 439 Y CA -2.984 55.042 58.100 -0.124 0.000 1.064 439 Y CB -0.439 37.901 38.460 -0.199 0.000 1.321 439 Y HN 0.361 nan 8.280 nan 0.000 0.451 440 P HA 0.222 nan 4.420 nan 0.000 0.269 440 P C 0.183 177.433 177.300 -0.083 0.000 1.215 440 P CA 0.459 63.487 63.100 -0.120 0.000 0.780 440 P CB 0.698 32.313 31.700 -0.143 0.000 0.898 441 G N 2.287 110.931 108.800 -0.260 0.000 2.616 441 G HA2 0.179 4.140 3.960 0.002 0.000 0.268 441 G HA3 0.179 4.140 3.960 0.002 0.000 0.268 441 G C -1.663 173.190 174.900 -0.079 0.000 1.213 441 G CA -1.183 43.607 45.100 -0.516 0.000 0.926 441 G HN 0.303 nan 8.290 nan 0.000 0.523 442 P HA -0.131 nan 4.420 nan 0.000 0.218 442 P C 1.426 178.824 177.300 0.164 0.000 1.152 442 P CA 1.583 64.752 63.100 0.115 0.000 0.857 442 P CB 0.157 31.916 31.700 0.099 0.000 0.787 443 K N -1.152 119.455 120.400 0.345 0.000 2.487 443 K HA 0.173 4.494 4.320 0.002 0.000 0.192 443 K C 1.321 177.933 176.600 0.020 0.000 1.027 443 K CA 0.037 56.359 56.287 0.059 0.000 1.054 443 K CB -0.046 32.331 32.500 -0.205 0.000 0.824 443 K HN 0.168 nan 8.250 nan 0.000 0.510 444 G N 0.456 109.331 108.800 0.126 0.000 2.613 444 G HA2 0.043 4.004 3.960 0.002 0.000 0.303 444 G HA3 0.043 4.004 3.960 0.002 0.000 0.303 444 G C -1.245 173.651 174.900 -0.007 0.000 1.312 444 G CA -0.464 44.664 45.100 0.046 0.000 1.036 444 G HN -0.009 nan 8.290 nan 0.000 0.513 445 D N -0.523 119.854 120.400 -0.039 0.000 2.441 445 D HA 0.114 4.755 4.640 0.002 0.000 0.221 445 D C 1.320 177.564 176.300 -0.093 0.000 1.156 445 D CA -0.422 53.550 54.000 -0.046 0.000 0.896 445 D CB 0.883 41.664 40.800 -0.032 0.000 1.028 445 D HN 0.422 nan 8.370 nan 0.000 0.509 446 R N 2.569 123.001 120.500 -0.112 0.000 2.237 446 R HA -0.089 4.252 4.340 0.002 0.000 0.219 446 R C 1.654 177.841 176.300 -0.189 0.000 1.080 446 R CA 0.939 56.904 56.100 -0.226 0.000 0.995 446 R CB 0.296 30.492 30.300 -0.173 0.000 0.875 446 R HN 0.435 nan 8.270 nan 0.000 0.462 447 Q N 0.388 120.157 119.800 -0.051 0.000 1.990 447 Q HA -0.057 4.284 4.340 0.002 0.000 0.200 447 Q C 1.036 177.121 176.000 0.141 0.000 0.980 447 Q CA 1.306 57.133 55.803 0.040 0.000 0.832 447 Q CB -0.127 28.628 28.738 0.029 0.000 0.897 447 Q HN 0.419 nan 8.270 nan 0.000 0.427 448 N N -0.359 118.409 118.700 0.113 0.000 2.322 448 N HA -0.019 4.722 4.740 0.002 0.000 0.194 448 N C -0.603 175.073 175.510 0.276 0.000 1.126 448 N CA -0.030 53.125 53.050 0.175 0.000 0.845 448 N CB 0.242 38.792 38.487 0.107 0.000 0.976 448 N HN 0.183 nan 8.380 nan 0.000 0.475 449 Y N 0.750 121.074 120.300 0.040 0.000 3.027 449 Y HA -0.286 4.265 4.550 0.002 0.000 0.195 449 Y C -0.003 175.918 175.900 0.035 0.000 1.381 449 Y CA 0.575 58.702 58.100 0.044 0.000 1.015 449 Y CB -1.899 36.601 38.460 0.066 0.000 1.329 449 Y HN 0.153 nan 8.280 nan 0.000 0.462 450 E N -0.522 119.690 120.200 0.020 0.000 2.390 450 E HA 0.607 4.958 4.350 0.002 0.000 0.277 450 E C 0.462 176.986 176.600 -0.126 0.000 0.939 450 E CA -0.520 55.814 56.400 -0.109 0.000 0.769 450 E CB 2.259 31.875 29.700 -0.141 0.000 1.251 450 E HN 0.379 nan 8.360 nan 0.000 0.450 451 G N 1.872 110.562 108.800 -0.185 0.000 2.270 451 G HA2 -0.161 3.800 3.960 0.002 0.000 0.224 451 G HA3 -0.161 3.800 3.960 0.002 0.000 0.224 451 G C 0.210 175.095 174.900 -0.025 0.000 1.079 451 G CA -0.400 44.635 45.100 -0.108 0.000 0.807 451 G HN 0.320 nan 8.290 nan 0.000 0.492 452 L N -0.180 121.039 121.223 -0.007 0.000 2.592 452 L HA 0.378 4.719 4.340 0.002 0.000 0.227 452 L C 1.486 178.443 176.870 0.145 0.000 1.127 452 L CA 1.661 56.545 54.840 0.074 0.000 0.884 452 L CB -0.762 41.344 42.059 0.079 0.000 1.065 452 L HN 0.601 nan 8.230 nan 0.000 0.457 453 G N -0.167 108.692 108.800 0.097 0.000 2.766 453 G HA2 0.672 4.633 3.960 0.002 0.000 0.288 453 G HA3 0.672 4.633 3.960 0.002 0.000 0.288 453 G C -1.337 173.561 174.900 -0.005 0.000 1.408 453 G CA -0.241 44.916 45.100 0.095 0.000 0.852 453 G HN 0.161 nan 8.290 nan 0.000 0.487 454 Q N -1.488 118.303 119.800 -0.015 0.000 2.647 454 Q HA 0.596 4.937 4.340 0.002 0.000 0.283 454 Q C -1.930 174.050 176.000 -0.034 0.000 0.943 454 Q CA -0.914 54.860 55.803 -0.048 0.000 0.813 454 Q CB 2.295 30.950 28.738 -0.139 0.000 1.477 454 Q HN 0.739 nan 8.270 nan 0.000 0.393 455 I N 0.590 121.162 120.570 0.004 0.000 2.533 455 I HA 0.573 4.744 4.170 0.002 0.000 0.290 455 I C -1.815 174.343 176.117 0.069 0.000 1.056 455 I CA -0.545 60.760 61.300 0.007 0.000 1.057 455 I CB 1.711 39.657 38.000 -0.089 0.000 1.240 455 I HN 0.662 nan 8.210 nan 0.000 0.423 456 K N 5.786 126.156 120.400 -0.049 0.000 2.443 456 K HA 0.802 5.123 4.320 0.002 0.000 0.251 456 K C -1.253 175.101 176.600 -0.411 0.000 0.972 456 K CA -0.942 55.224 56.287 -0.202 0.000 0.833 456 K CB 2.214 34.744 32.500 0.051 0.000 1.317 456 K HN 0.557 nan 8.250 nan 0.000 0.441 457 A N 1.761 124.108 122.820 -0.789 0.000 2.288 457 A HA 0.517 4.838 4.320 0.002 0.000 0.320 457 A C -1.639 175.756 177.584 -0.317 0.000 1.217 457 A CA -0.371 51.226 52.037 -0.733 0.000 0.840 457 A CB 0.192 18.483 19.000 -1.183 0.000 1.179 457 A HN 0.713 nan 8.150 nan 0.000 0.504 458 Y N 3.129 123.188 120.300 -0.401 0.000 2.512 458 Y HA 0.540 5.091 4.550 0.002 0.000 0.348 458 Y C -0.774 174.991 175.900 -0.225 0.000 0.990 458 Y CA -1.115 56.708 58.100 -0.462 0.000 1.033 458 Y CB 1.677 39.778 38.460 -0.598 0.000 1.259 458 Y HN 0.636 nan 8.280 nan 0.000 0.461 459 N N 3.627 121.772 118.700 -0.925 0.000 2.417 459 N HA 0.351 5.092 4.740 0.002 0.000 0.274 459 N C 0.044 174.863 175.510 -1.151 0.000 0.987 459 N CA 0.503 53.137 53.050 -0.694 0.000 0.912 459 N CB 2.137 40.372 38.487 -0.419 0.000 1.177 459 N HN 0.972 nan 8.380 nan 0.000 0.490 460 A N 4.525 126.980 122.820 -0.608 0.000 1.969 460 A HA -0.057 4.264 4.320 0.002 0.000 0.218 460 A C 1.812 179.227 177.584 -0.282 0.000 1.169 460 A CA 0.918 52.690 52.037 -0.441 0.000 0.635 460 A CB -0.158 18.790 19.000 -0.088 0.000 0.810 460 A HN 0.701 nan 8.150 nan 0.000 0.445 461 I N -0.673 119.762 120.570 -0.226 0.000 2.400 461 I HA -0.073 4.098 4.170 0.002 0.000 0.248 461 I C 2.313 178.333 176.117 -0.162 0.000 1.109 461 I CA 1.609 62.815 61.300 -0.155 0.000 1.425 461 I CB -1.834 36.098 38.000 -0.113 0.000 1.094 461 I HN 0.183 nan 8.210 nan 0.000 0.425 462 T N 0.224 114.655 114.554 -0.204 0.000 2.851 462 T HA 0.114 4.465 4.350 0.002 0.000 0.262 462 T C 1.566 176.165 174.700 -0.170 0.000 1.043 462 T CA 1.401 63.402 62.100 -0.165 0.000 1.140 462 T CB -0.192 68.578 68.868 -0.162 0.000 0.872 462 T HN 0.560 nan 8.240 nan 0.000 0.446 463 G N 1.703 110.320 108.800 -0.305 0.000 2.157 463 G HA2 -0.191 3.770 3.960 0.002 0.000 0.248 463 G HA3 -0.191 3.770 3.960 0.002 0.000 0.248 463 G C -0.352 174.472 174.900 -0.126 0.000 0.979 463 G CA 0.046 45.039 45.100 -0.178 0.000 0.650 463 G HN 0.471 nan 8.290 nan 0.000 0.529 464 D N -0.481 119.788 120.400 -0.218 0.000 2.255 464 D HA 0.546 5.187 4.640 0.002 0.000 0.249 464 D C -0.148 176.050 176.300 -0.170 0.000 1.078 464 D CA 0.073 54.020 54.000 -0.088 0.000 0.896 464 D CB 0.366 41.126 40.800 -0.068 0.000 1.194 464 D HN 0.193 nan 8.370 nan 0.000 0.429 465 Y N 1.748 122.070 120.300 0.037 0.000 2.595 465 Y HA 0.149 4.700 4.550 0.002 0.000 0.336 465 Y C 1.385 177.277 175.900 -0.014 0.000 0.996 465 Y CA -0.571 57.539 58.100 0.016 0.000 1.260 465 Y CB 1.370 39.845 38.460 0.024 0.000 1.108 465 Y HN 0.302 nan 8.280 nan 0.000 0.509 466 K N 3.796 124.205 120.400 0.015 0.000 2.107 466 K HA -0.146 4.175 4.320 0.002 0.000 0.211 466 K C -0.292 176.469 176.600 0.268 0.000 1.049 466 K CA 1.901 58.241 56.287 0.088 0.000 0.927 466 K CB 0.133 32.655 32.500 0.037 0.000 0.714 466 K HN 0.721 nan 8.250 nan 0.000 0.452 467 W N -1.584 119.819 121.300 0.173 0.000 3.298 467 W HA 0.430 5.091 4.660 0.002 0.000 0.302 467 W C -1.786 174.823 176.519 0.150 0.000 1.255 467 W CA -0.771 56.659 57.345 0.141 0.000 1.196 467 W CB 0.536 30.068 29.460 0.120 0.000 1.364 467 W HN -0.156 nan 8.180 nan 0.000 0.566 468 E N 2.021 122.501 120.200 0.465 0.000 2.314 468 E HA 0.535 4.886 4.350 0.002 0.000 0.272 468 E C -0.867 175.911 176.600 0.297 0.000 0.884 468 E CA -1.095 55.476 56.400 0.285 0.000 0.753 468 E CB 3.014 32.741 29.700 0.045 0.000 1.213 468 E HN 0.120 nan 8.360 nan 0.000 0.432 469 K N 1.991 122.543 120.400 0.252 0.000 2.464 469 K HA 0.470 4.791 4.320 0.002 0.000 0.253 469 K C -0.761 175.871 176.600 0.054 0.000 0.933 469 K CA -0.840 55.538 56.287 0.151 0.000 0.801 469 K CB 2.022 34.640 32.500 0.197 0.000 1.271 469 K HN 0.474 nan 8.250 nan 0.000 0.430 470 M N 1.684 121.282 119.600 -0.003 0.000 2.249 470 M HA 0.290 4.771 4.480 0.002 0.000 0.351 470 M C 0.164 176.450 176.300 -0.022 0.000 1.180 470 M CA -0.136 55.134 55.300 -0.050 0.000 1.127 470 M CB 0.876 33.425 32.600 -0.085 0.000 1.546 470 M HN 0.338 nan 8.290 nan 0.000 0.461 471 E N 1.137 121.324 120.200 -0.020 0.000 2.277 471 E HA 0.314 4.665 4.350 0.002 0.000 0.266 471 E C 0.439 176.991 176.600 -0.079 0.000 0.901 471 E CA -0.394 56.008 56.400 0.004 0.000 0.782 471 E CB 2.387 32.148 29.700 0.102 0.000 1.228 471 E HN 0.594 nan 8.360 nan 0.000 0.424 472 R N 1.511 121.904 120.500 -0.178 0.000 2.083 472 R HA -0.081 4.260 4.340 0.002 0.000 0.237 472 R C 0.019 175.993 176.300 -0.543 0.000 1.137 472 R CA 1.525 57.352 56.100 -0.454 0.000 0.951 472 R CB 0.119 29.994 30.300 -0.709 0.000 0.851 472 R HN 0.233 nan 8.270 nan 0.000 0.434 473 F N -0.679 119.312 119.950 0.069 0.000 2.594 473 F HA 0.539 5.067 4.527 0.002 0.000 0.335 473 F C 0.288 176.226 175.800 0.229 0.000 1.058 473 F CA -1.108 56.996 58.000 0.173 0.000 0.981 473 F CB 0.890 40.034 39.000 0.240 0.000 1.289 473 F HN 0.037 nan 8.300 nan 0.000 0.490 474 A N 0.362 123.532 122.820 0.583 0.000 2.531 474 A HA 0.355 4.676 4.320 0.002 0.000 0.236 474 A C -0.281 177.575 177.584 0.453 0.000 1.062 474 A CA -0.301 52.024 52.037 0.481 0.000 0.760 474 A CB -0.222 19.172 19.000 0.658 0.000 0.995 474 A HN 0.535 nan 8.150 nan 0.000 0.501 475 V N 5.026 125.137 119.914 0.328 0.000 2.162 475 V HA -0.026 4.095 4.120 0.002 0.000 0.255 475 V C 1.128 177.423 176.094 0.336 0.000 1.304 475 V CA -0.354 62.128 62.300 0.302 0.000 1.198 475 V CB -0.759 31.133 31.823 0.114 0.000 1.333 475 V HN 1.075 nan 8.190 nan 0.000 0.493 476 W N 3.151 124.577 121.300 0.210 0.000 2.350 476 W HA -0.105 4.556 4.660 0.001 0.000 0.289 476 W C 1.610 178.302 176.519 0.288 0.000 1.215 476 W CA 1.613 59.093 57.345 0.225 0.000 1.236 476 W CB 0.237 29.825 29.460 0.215 0.000 1.130 476 W HN 0.643 nan 8.180 nan 0.000 0.541 477 G N -0.455 108.648 108.800 0.505 0.000 3.277 477 G HA2 0.391 4.352 3.960 0.002 0.000 0.243 477 G HA3 0.391 4.352 3.960 0.002 0.000 0.243 477 G C 0.371 175.559 174.900 0.480 0.000 1.107 477 G CA 0.397 45.797 45.100 0.500 0.000 0.771 477 G HN 0.421 nan 8.290 nan 0.000 0.544 478 G N -0.652 108.374 108.800 0.376 0.000 2.631 478 G HA2 0.350 4.311 3.960 0.002 0.000 0.504 478 G HA3 0.350 4.311 3.960 0.002 0.000 0.504 478 G C -0.176 174.964 174.900 0.400 0.000 1.306 478 G CA 0.063 45.382 45.100 0.364 0.000 0.897 478 G HN 1.403 nan 8.290 nan 0.000 0.520 479 T N -2.579 112.209 114.554 0.390 0.000 2.865 479 T HA 0.816 5.167 4.350 0.002 0.000 0.294 479 T C -0.228 174.723 174.700 0.417 0.000 1.119 479 T CA 0.054 62.411 62.100 0.429 0.000 1.007 479 T CB 2.247 71.348 68.868 0.390 0.000 1.225 479 T HN 1.866 nan 8.240 nan 0.000 0.515 480 M N 1.298 121.152 119.600 0.424 0.000 2.378 480 M HA 0.691 5.172 4.480 0.002 0.000 0.289 480 M C -2.103 174.414 176.300 0.362 0.000 1.136 480 M CA -0.760 54.775 55.300 0.392 0.000 0.917 480 M CB 1.956 34.771 32.600 0.358 0.000 1.669 480 M HN 1.144 nan 8.290 nan 0.000 0.461 481 A N 2.360 125.376 122.820 0.326 0.000 2.386 481 A HA 0.880 5.201 4.320 0.002 0.000 0.311 481 A C -0.531 177.056 177.584 0.006 0.000 1.068 481 A CA -0.416 51.766 52.037 0.241 0.000 0.743 481 A CB 1.704 20.917 19.000 0.356 0.000 1.258 481 A HN 0.864 nan 8.150 nan 0.000 0.429 482 T N -1.870 112.647 114.554 -0.061 0.000 2.926 482 T HA 0.640 4.991 4.350 0.002 0.000 0.289 482 T C 0.811 175.388 174.700 -0.206 0.000 1.054 482 T CA 0.079 61.958 62.100 -0.368 0.000 1.015 482 T CB 1.577 70.372 68.868 -0.122 0.000 1.167 482 T HN 1.542 nan 8.240 nan 0.000 0.526 483 A N -0.037 122.636 122.820 -0.245 0.000 2.239 483 A HA 0.350 4.671 4.320 0.002 0.000 0.209 483 A C 1.929 179.553 177.584 0.066 0.000 1.171 483 A CA 0.725 52.828 52.037 0.110 0.000 0.768 483 A CB -1.172 17.903 19.000 0.124 0.000 0.790 483 A HN 1.133 nan 8.150 nan 0.000 0.478 484 G N -0.824 107.987 108.800 0.018 0.000 3.181 484 G HA2 0.299 4.260 3.960 0.002 0.000 0.219 484 G HA3 0.299 4.260 3.960 0.002 0.000 0.219 484 G C -0.003 174.907 174.900 0.017 0.000 1.182 484 G CA 0.503 45.611 45.100 0.014 0.000 0.791 484 G HN 0.413 nan 8.290 nan 0.000 0.537 485 D N -1.292 119.138 120.400 0.051 0.000 2.981 485 D HA -0.122 4.519 4.640 0.002 0.000 0.223 485 D C -0.065 176.223 176.300 -0.021 0.000 1.151 485 D CA 0.631 54.658 54.000 0.045 0.000 0.827 485 D CB -1.217 39.599 40.800 0.027 0.000 1.101 485 D HN 0.189 nan 8.370 nan 0.000 0.426 486 L N -0.072 121.129 121.223 -0.037 0.000 2.333 486 L HA 0.667 5.008 4.340 0.002 0.000 0.269 486 L C 0.148 176.936 176.870 -0.137 0.000 1.010 486 L CA -1.177 53.569 54.840 -0.155 0.000 0.818 486 L CB 2.232 44.139 42.059 -0.253 0.000 1.306 486 L HN -0.143 nan 8.230 nan 0.000 0.430 487 V N 2.539 122.320 119.914 -0.222 0.000 2.447 487 V HA 0.459 4.580 4.120 0.002 0.000 0.292 487 V C -0.618 175.511 176.094 0.058 0.000 1.021 487 V CA -0.586 61.665 62.300 -0.082 0.000 0.850 487 V CB 1.286 32.981 31.823 -0.214 0.000 1.005 487 V HN 0.400 nan 8.190 nan 0.000 0.426 488 F N 4.818 124.863 119.950 0.158 0.000 2.440 488 F HA 0.868 5.396 4.527 0.002 0.000 0.328 488 F C -0.084 175.930 175.800 0.356 0.000 1.070 488 F CA -0.638 57.468 58.000 0.177 0.000 1.011 488 F CB 1.620 40.673 39.000 0.088 0.000 1.226 488 F HN 0.624 nan 8.300 nan 0.000 0.491 489 Y N -1.282 119.241 120.300 0.371 0.000 2.638 489 Y HA 0.653 5.204 4.550 0.002 0.000 0.334 489 Y C -0.852 175.222 175.900 0.291 0.000 1.182 489 Y CA -1.990 56.300 58.100 0.317 0.000 1.102 489 Y CB 0.517 39.151 38.460 0.291 0.000 1.343 489 Y HN 0.786 nan 8.280 nan 0.000 0.463 490 G N 0.755 109.805 108.800 0.416 0.000 2.410 490 G HA2 0.593 4.554 3.960 0.002 0.000 0.330 490 G HA3 0.593 4.554 3.960 0.002 0.000 0.330 490 G C -0.853 174.300 174.900 0.422 0.000 1.142 490 G CA -0.432 44.862 45.100 0.322 0.000 0.902 490 G HN 1.080 nan 8.290 nan 0.000 0.491 491 T N -0.675 114.090 114.554 0.352 0.000 2.908 491 T HA 0.415 4.766 4.350 0.002 0.000 0.290 491 T C 1.390 176.289 174.700 0.332 0.000 1.034 491 T CA -0.855 61.481 62.100 0.393 0.000 1.010 491 T CB 1.644 70.745 68.868 0.388 0.000 1.068 491 T HN 0.190 nan 8.240 nan 0.000 0.481 492 L N 0.781 122.201 121.223 0.328 0.000 2.131 492 L HA -0.030 4.311 4.340 0.002 0.000 0.210 492 L C 1.986 178.966 176.870 0.182 0.000 1.092 492 L CA 1.382 56.335 54.840 0.188 0.000 0.759 492 L CB -0.538 41.559 42.059 0.064 0.000 0.903 492 L HN 0.791 nan 8.230 nan 0.000 0.435 493 D N -0.323 120.293 120.400 0.360 0.000 2.349 493 D HA 0.040 4.681 4.640 0.002 0.000 0.224 493 D C 1.180 177.617 176.300 0.229 0.000 1.029 493 D CA 0.750 54.969 54.000 0.364 0.000 0.879 493 D CB 0.009 41.075 40.800 0.444 0.000 0.906 493 D HN 0.239 nan 8.370 nan 0.000 0.528 494 G N -0.292 108.606 108.800 0.164 0.000 2.392 494 G HA2 -0.179 3.782 3.960 0.002 0.000 0.215 494 G HA3 -0.179 3.782 3.960 0.002 0.000 0.215 494 G C -0.844 173.848 174.900 -0.347 0.000 1.097 494 G CA -0.592 44.473 45.100 -0.058 0.000 0.840 494 G HN 0.303 nan 8.290 nan 0.000 0.492 495 Y N -1.632 118.702 120.300 0.057 0.000 2.536 495 Y HA 0.721 5.272 4.550 0.002 0.000 0.347 495 Y C 0.065 175.965 175.900 -0.001 0.000 1.000 495 Y CA -1.370 56.720 58.100 -0.017 0.000 1.051 495 Y CB 2.093 40.499 38.460 -0.090 0.000 1.259 495 Y HN 0.301 nan 8.280 nan 0.000 0.468 496 L N 3.464 124.755 121.223 0.115 0.000 2.276 496 L HA 0.521 4.862 4.340 0.002 0.000 0.286 496 L C -1.086 175.702 176.870 -0.137 0.000 1.024 496 L CA -0.575 54.286 54.840 0.035 0.000 0.826 496 L CB 0.354 42.453 42.059 0.068 0.000 1.211 496 L HN 0.517 nan 8.230 nan 0.000 0.422 497 K N 3.857 124.102 120.400 -0.258 0.000 2.156 497 K HA 0.904 5.225 4.320 0.002 0.000 0.250 497 K C -1.051 175.414 176.600 -0.225 0.000 0.955 497 K CA -0.864 55.197 56.287 -0.377 0.000 0.855 497 K CB 1.987 34.039 32.500 -0.745 0.000 1.101 497 K HN 0.679 nan 8.250 nan 0.000 0.434 498 A N 2.548 125.296 122.820 -0.119 0.000 2.359 498 A HA 0.560 4.881 4.320 0.002 0.000 0.303 498 A C -0.915 176.559 177.584 -0.184 0.000 1.066 498 A CA -0.775 51.080 52.037 -0.304 0.000 0.730 498 A CB 1.010 19.724 19.000 -0.476 0.000 1.211 498 A HN 0.723 nan 8.150 nan 0.000 0.439 499 R N 1.127 121.531 120.500 -0.160 0.000 2.803 499 R HA 0.362 4.703 4.340 0.002 0.000 0.276 499 R C -1.045 175.135 176.300 -0.201 0.000 0.978 499 R CA -0.894 55.116 56.100 -0.149 0.000 0.939 499 R CB 1.818 32.065 30.300 -0.089 0.000 1.179 499 R HN 0.845 nan 8.270 nan 0.000 0.472 500 D N 0.668 120.928 120.400 -0.234 0.000 2.371 500 D HA -0.006 4.635 4.640 0.002 0.000 0.256 500 D C 0.196 176.410 176.300 -0.144 0.000 1.193 500 D CA 0.380 54.271 54.000 -0.182 0.000 0.881 500 D CB 1.194 41.885 40.800 -0.182 0.000 1.143 500 D HN 0.403 nan 8.370 nan 0.000 0.473 501 S N 3.238 118.937 115.700 -0.002 0.000 2.402 501 S HA -0.159 4.312 4.470 0.002 0.000 0.233 501 S C 1.126 176.041 174.600 0.525 0.000 1.030 501 S CA 0.924 59.265 58.200 0.235 0.000 1.003 501 S CB 0.132 63.459 63.200 0.212 0.000 0.813 501 S HN 0.600 nan 8.310 nan 0.000 0.477 502 D N 0.477 121.020 120.400 0.238 0.000 2.201 502 D HA -0.005 4.636 4.640 0.002 0.000 0.209 502 D C 2.290 178.657 176.300 0.113 0.000 0.961 502 D CA 1.707 55.856 54.000 0.248 0.000 0.861 502 D CB -0.360 40.514 40.800 0.124 0.000 0.997 502 D HN 0.584 nan 8.370 nan 0.000 0.486 503 T N -3.142 111.297 114.554 -0.191 0.000 3.037 503 T HA 0.312 4.663 4.350 0.002 0.000 0.252 503 T C 1.694 175.865 174.700 -0.881 0.000 1.073 503 T CA 0.899 62.796 62.100 -0.338 0.000 1.091 503 T CB 0.740 69.488 68.868 -0.199 0.000 0.935 503 T HN 0.188 nan 8.240 nan 0.000 0.488 504 G N 1.743 109.729 108.800 -1.358 0.000 2.143 504 G HA2 -0.180 3.781 3.960 0.002 0.000 0.249 504 G HA3 -0.180 3.781 3.960 0.002 0.000 0.249 504 G C -0.503 173.933 174.900 -0.773 0.000 0.981 504 G CA -0.023 43.926 45.100 -1.919 0.000 0.665 504 G HN 0.595 nan 8.290 nan 0.000 0.528 505 D N -0.064 120.050 120.400 -0.476 0.000 2.389 505 D HA 0.372 5.013 4.640 0.002 0.000 0.247 505 D C 0.692 176.870 176.300 -0.204 0.000 1.128 505 D CA -0.372 53.471 54.000 -0.262 0.000 0.884 505 D CB 1.382 42.072 40.800 -0.184 0.000 1.194 505 D HN 0.206 nan 8.370 nan 0.000 0.441 506 L N 3.226 124.366 121.223 -0.139 0.000 2.385 506 L HA 0.079 4.420 4.340 0.002 0.000 0.281 506 L C 0.490 177.313 176.870 -0.077 0.000 1.106 506 L CA 0.378 55.158 54.840 -0.101 0.000 0.856 506 L CB 0.041 42.044 42.059 -0.093 0.000 1.186 506 L HN 0.441 nan 8.230 nan 0.000 0.453 507 L N 4.520 125.710 121.223 -0.055 0.000 2.408 507 L HA 0.255 4.596 4.340 0.002 0.000 0.215 507 L C -0.166 176.780 176.870 0.127 0.000 1.081 507 L CA -0.107 54.732 54.840 -0.002 0.000 0.840 507 L CB -0.007 42.029 42.059 -0.039 0.000 1.002 507 L HN 0.691 nan 8.230 nan 0.000 0.468 508 W N 1.178 122.394 121.300 -0.141 0.000 3.298 508 W HA 0.427 5.088 4.660 0.002 0.000 0.302 508 W C -1.814 174.647 176.519 -0.097 0.000 1.255 508 W CA -1.094 56.194 57.345 -0.095 0.000 1.196 508 W CB 1.035 30.440 29.460 -0.090 0.000 1.364 508 W HN -0.149 nan 8.180 nan 0.000 0.566 509 K N 3.396 123.121 120.400 -1.125 0.000 2.575 509 K HA 0.744 5.065 4.320 0.002 0.000 0.279 509 K C -2.452 173.445 176.600 -1.172 0.000 0.969 509 K CA -0.812 54.794 56.287 -1.136 0.000 0.868 509 K CB 2.566 34.772 32.500 -0.490 0.000 1.457 509 K HN 0.457 nan 8.250 nan 0.000 0.426 510 F N 1.163 120.586 119.950 -0.879 0.000 2.576 510 F HA 0.469 4.997 4.527 0.002 0.000 0.313 510 F C -1.133 174.603 175.800 -0.106 0.000 1.078 510 F CA -0.773 57.008 58.000 -0.365 0.000 0.921 510 F CB 2.364 41.312 39.000 -0.086 0.000 1.232 510 F HN 0.622 nan 8.300 nan 0.000 0.459 511 K N 6.934 126.783 120.400 -0.919 0.000 2.250 511 K HA 0.374 4.695 4.320 0.002 0.000 0.285 511 K C -0.644 175.684 176.600 -0.453 0.000 1.097 511 K CA -0.315 55.526 56.287 -0.744 0.000 0.913 511 K CB -0.549 31.546 32.500 -0.675 0.000 1.179 511 K HN 0.576 nan 8.250 nan 0.000 0.462 512 I N 1.676 122.154 120.570 -0.153 0.000 2.886 512 I HA 0.393 4.564 4.170 0.002 0.000 0.299 512 I C -1.537 174.449 176.117 -0.219 0.000 1.044 512 I CA -2.384 58.914 61.300 -0.002 0.000 1.310 512 I CB 0.710 38.809 38.000 0.165 0.000 1.441 512 I HN 0.350 nan 8.210 nan 0.000 0.578 513 P HA -0.126 nan 4.420 nan 0.000 0.216 513 P C 0.333 177.473 177.300 -0.268 0.000 1.153 513 P CA 1.272 64.096 63.100 -0.461 0.000 0.858 513 P CB 0.148 31.271 31.700 -0.960 0.000 0.789 514 S N -2.842 112.764 115.700 -0.156 0.000 2.638 514 S HA 0.626 5.097 4.470 0.002 0.000 0.274 514 S C -0.155 174.487 174.600 0.070 0.000 1.157 514 S CA -0.566 57.631 58.200 -0.004 0.000 0.826 514 S CB 0.749 63.994 63.200 0.076 0.000 1.139 514 S HN 0.095 nan 8.310 nan 0.000 0.474 515 G N 0.775 109.618 108.800 0.072 0.000 2.562 515 G HA2 0.476 4.437 3.960 0.002 0.000 0.233 515 G HA3 0.476 4.437 3.960 0.002 0.000 0.233 515 G C -0.085 174.920 174.900 0.175 0.000 1.266 515 G CA 0.237 45.405 45.100 0.112 0.000 0.852 515 G HN 1.102 nan 8.290 nan 0.000 0.581 516 A N 1.177 124.133 122.820 0.226 0.000 2.287 516 A HA 0.597 4.918 4.320 0.002 0.000 0.317 516 A C 0.614 178.396 177.584 0.329 0.000 1.220 516 A CA -0.739 51.468 52.037 0.284 0.000 0.835 516 A CB 0.721 19.903 19.000 0.302 0.000 1.180 516 A HN 1.201 nan 8.150 nan 0.000 0.500 517 I N 0.469 121.254 120.570 0.357 0.000 3.947 517 I HA 0.518 4.689 4.170 0.002 0.000 0.327 517 I C 0.483 176.908 176.117 0.513 0.000 1.519 517 I CA -0.270 61.307 61.300 0.462 0.000 1.122 517 I CB 0.412 38.672 38.000 0.434 0.000 1.146 517 I HN 0.487 nan 8.210 nan 0.000 0.442 518 G N 0.917 109.989 108.800 0.453 0.000 3.013 518 G HA2 0.578 4.539 3.960 0.002 0.000 0.278 518 G HA3 0.578 4.539 3.960 0.002 0.000 0.278 518 G C -1.407 173.734 174.900 0.402 0.000 1.353 518 G CA -0.734 44.632 45.100 0.443 0.000 1.043 518 G HN 0.330 nan 8.290 nan 0.000 0.523 519 Y N -1.639 118.843 120.300 0.304 0.000 2.453 519 Y HA 0.775 5.325 4.550 0.002 0.000 0.326 519 Y C -2.664 173.295 175.900 0.099 0.000 1.186 519 Y CA -3.285 54.950 58.100 0.225 0.000 1.200 519 Y CB 0.825 39.401 38.460 0.194 0.000 1.247 519 Y HN 0.257 nan 8.280 nan 0.000 0.482 520 P HA 0.383 nan 4.420 nan 0.000 0.279 520 P C -1.092 176.155 177.300 -0.089 0.000 1.252 520 P CA -0.472 62.641 63.100 0.022 0.000 0.811 520 P CB 1.105 32.850 31.700 0.075 0.000 1.035 521 M N -1.255 118.112 119.600 -0.389 0.000 2.575 521 M HA 0.782 5.263 4.480 0.002 0.000 0.284 521 M C -0.741 175.278 176.300 -0.469 0.000 1.253 521 M CA -0.439 54.343 55.300 -0.863 0.000 0.861 521 M CB 1.741 33.374 32.600 -1.610 0.000 1.733 521 M HN 0.118 nan 8.290 nan 0.000 0.462 522 T N 0.955 115.368 114.554 -0.234 0.000 2.903 522 T HA 0.889 5.240 4.350 0.002 0.000 0.299 522 T C -2.063 172.805 174.700 0.279 0.000 1.093 522 T CA -0.397 61.688 62.100 -0.026 0.000 1.002 522 T CB 1.128 69.941 68.868 -0.091 0.000 1.127 522 T HN 1.076 nan 8.240 nan 0.000 0.488 523 Y N -0.618 119.752 120.300 0.117 0.000 2.689 523 Y HA 0.736 5.287 4.550 0.002 0.000 0.333 523 Y C -0.700 175.317 175.900 0.195 0.000 1.208 523 Y CA -1.155 57.051 58.100 0.177 0.000 1.055 523 Y CB 0.740 39.307 38.460 0.177 0.000 1.304 523 Y HN 0.681 nan 8.280 nan 0.000 0.455 524 T N -0.996 113.747 114.554 0.314 0.000 2.856 524 T HA 0.594 4.945 4.350 0.002 0.000 0.283 524 T C -1.656 173.305 174.700 0.434 0.000 1.008 524 T CA -0.502 61.741 62.100 0.238 0.000 0.997 524 T CB 1.596 70.534 68.868 0.117 0.000 0.992 524 T HN 1.053 nan 8.240 nan 0.000 0.454 525 H N 0.925 120.194 119.070 0.333 0.000 3.108 525 H HA 0.379 4.936 4.556 0.002 0.000 0.329 525 H C -0.457 174.997 175.328 0.209 0.000 0.978 525 H CA -0.584 55.641 56.048 0.296 0.000 1.413 525 H CB 0.628 30.605 29.762 0.358 0.000 1.670 525 H HN 0.869 nan 8.280 nan 0.000 0.512 526 K N 4.035 124.341 120.400 -0.158 0.000 3.125 526 K HA -0.232 4.089 4.320 0.002 0.000 0.268 526 K C 0.922 177.526 176.600 0.006 0.000 1.078 526 K CA 0.914 57.141 56.287 -0.099 0.000 0.775 526 K CB -1.501 30.953 32.500 -0.077 0.000 1.253 526 K HN 1.196 nan 8.250 nan 0.000 0.486 527 G N -1.274 107.532 108.800 0.011 0.000 2.304 527 G HA2 -0.336 3.625 3.960 0.002 0.000 0.252 527 G HA3 -0.336 3.625 3.960 0.002 0.000 0.252 527 G C 0.280 175.165 174.900 -0.026 0.000 1.014 527 G CA 0.675 45.774 45.100 -0.003 0.000 0.619 527 G HN 0.362 nan 8.290 nan 0.000 0.525 528 T N 1.344 115.888 114.554 -0.017 0.000 2.856 528 T HA 0.525 4.876 4.350 0.002 0.000 0.292 528 T C 0.155 174.667 174.700 -0.313 0.000 0.980 528 T CA 0.214 62.197 62.100 -0.195 0.000 1.091 528 T CB 1.761 70.460 68.868 -0.281 0.000 0.936 528 T HN 0.543 nan 8.240 nan 0.000 0.503 529 Q N 2.452 122.000 119.800 -0.419 0.000 2.257 529 Q HA 0.404 4.745 4.340 0.002 0.000 0.255 529 Q C -1.607 174.003 176.000 -0.651 0.000 0.920 529 Q CA -0.566 55.005 55.803 -0.385 0.000 0.927 529 Q CB 0.599 29.192 28.738 -0.242 0.000 1.229 529 Q HN 0.655 nan 8.270 nan 0.000 0.433 530 Y N 1.238 121.251 120.300 -0.478 0.000 2.562 530 Y HA 0.610 5.161 4.550 0.002 0.000 0.343 530 Y C -0.588 174.988 175.900 -0.540 0.000 1.025 530 Y CA -0.993 56.784 58.100 -0.538 0.000 1.082 530 Y CB 2.173 40.187 38.460 -0.743 0.000 1.264 530 Y HN 0.328 nan 8.280 nan 0.000 0.478 531 V N 1.915 121.705 119.914 -0.207 0.000 2.483 531 V HA 0.825 4.946 4.120 0.002 0.000 0.297 531 V C -0.524 175.522 176.094 -0.080 0.000 1.027 531 V CA -0.807 61.335 62.300 -0.264 0.000 0.855 531 V CB 1.140 32.682 31.823 -0.467 0.000 0.995 531 V HN 0.886 nan 8.190 nan 0.000 0.424 532 A N 5.340 128.081 122.820 -0.131 0.000 2.356 532 A HA 1.005 5.326 4.320 0.002 0.000 0.323 532 A C -0.978 176.515 177.584 -0.151 0.000 1.119 532 A CA -0.721 51.243 52.037 -0.121 0.000 0.790 532 A CB 1.699 20.593 19.000 -0.178 0.000 1.273 532 A HN 0.912 nan 8.150 nan 0.000 0.452 533 I N 0.024 120.538 120.570 -0.093 0.000 2.787 533 I HA 0.427 4.598 4.170 0.002 0.000 0.294 533 I C -1.709 174.410 176.117 0.004 0.000 1.365 533 I CA -0.660 60.601 61.300 -0.066 0.000 1.029 533 I CB 1.490 39.560 38.000 0.117 0.000 1.313 533 I HN 0.692 nan 8.210 nan 0.000 0.431 534 Y N 5.403 125.726 120.300 0.039 0.000 2.300 534 Y HA 0.402 4.953 4.550 0.002 0.000 0.328 534 Y C -0.305 175.658 175.900 0.104 0.000 1.270 534 Y CA -0.033 58.068 58.100 0.002 0.000 1.352 534 Y CB 0.724 39.192 38.460 0.012 0.000 1.286 534 Y HN 0.390 nan 8.280 nan 0.000 0.536 535 Y N -1.844 118.581 120.300 0.209 0.000 2.545 535 Y HA 0.840 5.391 4.550 0.002 0.000 0.348 535 Y C -0.216 175.640 175.900 -0.073 0.000 1.002 535 Y CA -2.391 55.758 58.100 0.082 0.000 1.039 535 Y CB 1.906 40.393 38.460 0.045 0.000 1.271 535 Y HN 0.755 nan 8.280 nan 0.000 0.467 536 G N 1.522 110.416 108.800 0.156 0.000 2.492 536 G HA2 0.183 4.144 3.960 0.002 0.000 0.283 536 G HA3 0.183 4.144 3.960 0.002 0.000 0.283 536 G C -1.577 173.372 174.900 0.081 0.000 1.274 536 G CA -0.541 44.546 45.100 -0.022 0.000 1.215 536 G HN 1.045 nan 8.290 nan 0.000 0.598 537 V N 2.102 122.057 119.914 0.068 0.000 2.963 537 V HA 0.824 4.945 4.120 0.002 0.000 0.306 537 V C 1.126 177.242 176.094 0.036 0.000 1.077 537 V CA 2.360 64.686 62.300 0.044 0.000 1.124 537 V CB 1.384 33.200 31.823 -0.012 0.000 0.987 537 V HN 2.333 nan 8.190 nan 0.000 0.487 538 G N 2.808 111.615 108.800 0.012 0.000 2.512 538 G HA2 0.599 4.560 3.960 0.002 0.000 0.181 538 G HA3 0.599 4.560 3.960 0.002 0.000 0.181 538 G C 0.200 175.114 174.900 0.022 0.000 1.173 538 G CA 0.180 45.302 45.100 0.036 0.000 0.988 538 G HN 2.156 nan 8.290 nan 0.000 0.485 539 G N -1.653 107.230 108.800 0.138 0.000 2.752 539 G HA2 -0.073 3.888 3.960 0.002 0.000 0.234 539 G HA3 -0.073 3.888 3.960 0.002 0.000 0.234 539 G C 0.836 175.838 174.900 0.170 0.000 1.367 539 G CA 0.854 46.077 45.100 0.206 0.000 0.879 539 G HN 1.771 nan 8.290 nan 0.000 0.563 540 W N 2.202 123.504 121.300 0.003 0.000 2.335 540 W HA -0.031 4.630 4.660 0.002 0.000 0.311 540 W C 0.544 176.863 176.519 -0.334 0.000 1.213 540 W CA 3.231 60.541 57.345 -0.057 0.000 1.274 540 W CB -1.544 28.017 29.460 0.167 0.000 1.148 540 W HN 0.545 nan 8.180 nan 0.000 0.498 541 P HA -0.071 nan 4.420 nan 0.000 0.220 541 P C 1.422 178.229 177.300 -0.821 0.000 1.148 541 P CA 2.434 64.740 63.100 -1.324 0.000 0.803 541 P CB -0.489 29.977 31.700 -2.057 0.000 0.782 542 G N -0.471 108.070 108.800 -0.431 0.000 3.088 542 G HA2 0.058 4.019 3.960 0.002 0.000 0.217 542 G HA3 0.058 4.019 3.960 0.002 0.000 0.217 542 G C 1.484 176.383 174.900 -0.003 0.000 1.159 542 G CA -0.118 44.856 45.100 -0.210 0.000 0.760 542 G HN 0.071 nan 8.290 nan 0.000 0.550 543 V N 1.693 121.665 119.914 0.096 0.000 2.278 543 V HA -0.209 3.912 4.120 0.002 0.000 0.251 543 V C 3.081 179.350 176.094 0.293 0.000 1.062 543 V CA 2.579 65.059 62.300 0.300 0.000 1.038 543 V CB -0.749 31.234 31.823 0.266 0.000 0.646 543 V HN 0.414 nan 8.190 nan 0.000 0.447 544 G N -0.871 108.020 108.800 0.151 0.000 2.440 544 G HA2 -0.265 3.696 3.960 0.002 0.000 0.218 544 G HA3 -0.265 3.696 3.960 0.002 0.000 0.218 544 G C 1.537 176.497 174.900 0.099 0.000 1.154 544 G CA 1.142 46.317 45.100 0.124 0.000 0.767 544 G HN 0.457 nan 8.290 nan 0.000 0.552 545 L N 0.600 121.855 121.223 0.054 0.000 2.109 545 L HA 0.104 4.445 4.340 0.002 0.000 0.207 545 L C 2.842 179.704 176.870 -0.014 0.000 1.086 545 L CA 1.209 56.055 54.840 0.011 0.000 0.760 545 L CB -0.320 41.724 42.059 -0.024 0.000 0.910 545 L HN 0.082 nan 8.230 nan 0.000 0.437 546 V N -0.921 118.980 119.914 -0.021 0.000 2.323 546 V HA -0.189 3.932 4.120 0.002 0.000 0.244 546 V C 1.696 177.567 176.094 -0.372 0.000 1.041 546 V CA 1.693 63.858 62.300 -0.226 0.000 1.025 546 V CB -0.579 31.033 31.823 -0.351 0.000 0.656 546 V HN 0.335 nan 8.190 nan 0.000 0.451 547 F N -0.397 119.557 119.950 0.007 0.000 2.660 547 F HA 0.341 4.870 4.527 0.002 0.000 0.302 547 F C 0.884 176.684 175.800 0.000 0.000 1.103 547 F CA -0.363 57.639 58.000 0.004 0.000 1.340 547 F CB -0.453 38.548 39.000 0.001 0.000 1.048 547 F HN 0.107 nan 8.300 nan 0.000 0.551 548 D N 2.244 122.710 120.400 0.111 0.000 2.812 548 D HA -0.202 4.439 4.640 0.002 0.000 0.237 548 D C -0.639 175.709 176.300 0.080 0.000 1.162 548 D CA 0.482 54.524 54.000 0.069 0.000 0.740 548 D CB -0.682 40.141 40.800 0.038 0.000 1.000 548 D HN 0.244 nan 8.370 nan 0.000 0.416 549 L N -0.050 121.227 121.223 0.091 0.000 2.331 549 L HA 0.673 5.014 4.340 0.002 0.000 0.275 549 L C 1.407 178.302 176.870 0.042 0.000 1.022 549 L CA -0.253 54.625 54.840 0.064 0.000 0.812 549 L CB 1.667 43.767 42.059 0.069 0.000 1.257 549 L HN 0.119 nan 8.230 nan 0.000 0.435 550 A N 0.371 123.205 122.820 0.024 0.000 2.026 550 A HA 0.048 4.369 4.320 0.002 0.000 0.198 550 A C 0.562 178.149 177.584 0.005 0.000 1.390 550 A CA 0.017 52.061 52.037 0.012 0.000 0.915 550 A CB 0.093 19.096 19.000 0.005 0.000 0.974 550 A HN 0.716 nan 8.150 nan 0.000 0.477 551 D N 1.782 122.185 120.400 0.005 0.000 2.426 551 D HA 0.050 4.691 4.640 0.002 0.000 0.261 551 D C -1.228 175.079 176.300 0.012 0.000 1.245 551 D CA -1.493 52.508 54.000 0.002 0.000 0.917 551 D CB 1.020 41.818 40.800 -0.004 0.000 1.123 551 D HN 0.157 nan 8.370 nan 0.000 0.508 552 P HA -0.173 nan 4.420 nan 0.000 0.220 552 P C 0.837 178.168 177.300 0.052 0.000 1.144 552 P CA 1.256 64.369 63.100 0.022 0.000 0.800 552 P CB -0.072 31.633 31.700 0.009 0.000 0.772 553 T N -4.241 110.338 114.554 0.042 0.000 3.086 553 T HA 0.477 4.828 4.350 0.002 0.000 0.250 553 T C 1.012 175.735 174.700 0.038 0.000 1.074 553 T CA -0.169 61.961 62.100 0.050 0.000 0.988 553 T CB -0.266 68.622 68.868 0.033 0.000 0.988 553 T HN 0.076 nan 8.240 nan 0.000 0.530 554 A N 0.857 123.694 122.820 0.028 0.000 2.327 554 A HA 0.600 4.921 4.320 0.002 0.000 0.255 554 A C 1.544 179.159 177.584 0.052 0.000 1.099 554 A CA 0.011 52.053 52.037 0.009 0.000 0.801 554 A CB -0.995 18.006 19.000 0.002 0.000 1.062 554 A HN 1.382 nan 8.150 nan 0.000 0.496 555 G N -1.087 107.723 108.800 0.017 0.000 2.338 555 G HA2 0.080 4.041 3.960 0.002 0.000 0.296 555 G HA3 0.080 4.041 3.960 0.002 0.000 0.296 555 G C 0.216 175.301 174.900 0.309 0.000 1.040 555 G CA 0.261 45.428 45.100 0.111 0.000 1.004 555 G HN 1.788 nan 8.290 nan 0.000 0.509 556 L N -2.492 118.819 121.223 0.148 0.000 3.781 556 L HA -0.172 4.169 4.340 0.002 0.000 0.426 556 L C 2.165 179.273 176.870 0.396 0.000 1.197 556 L CA 2.346 57.328 54.840 0.237 0.000 0.907 556 L CB -1.646 40.616 42.059 0.340 0.000 1.812 556 L HN 2.234 nan 8.230 nan 0.000 0.956 557 G N -2.625 106.310 108.800 0.226 0.000 2.253 557 G HA2 -0.246 3.715 3.960 0.002 0.000 0.251 557 G HA3 -0.246 3.715 3.960 0.002 0.000 0.251 557 G C 1.138 176.117 174.900 0.132 0.000 0.998 557 G CA 0.855 46.062 45.100 0.179 0.000 0.621 557 G HN 1.223 nan 8.290 nan 0.000 0.524 558 A N 0.212 123.103 122.820 0.117 0.000 1.933 558 A HA 0.247 4.567 4.320 0.002 0.000 0.218 558 A C 2.611 180.270 177.584 0.125 0.000 1.175 558 A CA 2.643 54.657 52.037 -0.038 0.000 0.628 558 A CB -0.588 18.186 19.000 -0.377 0.000 0.814 558 A HN 1.151 nan 8.150 nan 0.000 0.444 559 V N 0.026 120.013 119.914 0.122 0.000 2.250 559 V HA -0.319 3.802 4.120 0.002 0.000 0.250 559 V C 2.830 178.979 176.094 0.091 0.000 1.060 559 V CA 2.344 64.710 62.300 0.110 0.000 1.030 559 V CB -1.535 30.335 31.823 0.078 0.000 0.643 559 V HN 0.627 nan 8.190 nan 0.000 0.445 560 G N -0.847 107.993 108.800 0.067 0.000 2.440 560 G HA2 -0.232 3.729 3.960 0.002 0.000 0.218 560 G HA3 -0.232 3.729 3.960 0.002 0.000 0.218 560 G C 1.759 176.670 174.900 0.019 0.000 1.154 560 G CA 1.115 46.220 45.100 0.008 0.000 0.767 560 G HN 0.678 nan 8.290 nan 0.000 0.552 561 A N 0.020 122.906 122.820 0.110 0.000 1.978 561 A HA 0.144 4.465 4.320 0.002 0.000 0.220 561 A C 1.535 178.994 177.584 -0.209 0.000 1.170 561 A CA 1.000 53.054 52.037 0.029 0.000 0.636 561 A CB -0.355 18.547 19.000 -0.162 0.000 0.810 561 A HN 0.350 nan 8.150 nan 0.000 0.448 562 F N -0.298 119.700 119.950 0.080 0.000 2.850 562 F HA 0.195 4.723 4.527 0.001 0.000 0.306 562 F C 1.638 177.457 175.800 0.031 0.000 1.162 562 F CA -0.066 57.963 58.000 0.048 0.000 1.327 562 F CB 0.299 39.232 39.000 -0.112 0.000 0.953 562 F HN 0.306 nan 8.300 nan 0.000 0.507 563 K N 0.067 120.533 120.400 0.111 0.000 2.211 563 K HA -0.150 4.171 4.320 0.002 0.000 0.204 563 K C 1.245 177.914 176.600 0.116 0.000 1.047 563 K CA 1.336 57.651 56.287 0.046 0.000 0.935 563 K CB -0.053 32.380 32.500 -0.111 0.000 0.728 563 K HN 0.070 nan 8.250 nan 0.000 0.452 564 K N 0.692 121.237 120.400 0.241 0.000 2.426 564 K HA 0.033 4.354 4.320 0.002 0.000 0.193 564 K C 1.788 178.678 176.600 0.483 0.000 1.028 564 K CA 0.117 56.622 56.287 0.363 0.000 1.047 564 K CB -0.036 32.758 32.500 0.490 0.000 0.821 564 K HN 0.141 nan 8.250 nan 0.000 0.513 565 L N 1.634 123.011 121.223 0.256 0.000 2.079 565 L HA -0.109 4.232 4.340 0.002 0.000 0.210 565 L C 1.909 178.857 176.870 0.131 0.000 1.081 565 L CA 1.667 56.499 54.840 -0.014 0.000 0.752 565 L CB -0.619 41.293 42.059 -0.245 0.000 0.896 565 L HN 0.140 nan 8.230 nan 0.000 0.433 566 A N -1.261 121.616 122.820 0.095 0.000 2.239 566 A HA -0.101 4.220 4.320 0.002 0.000 0.209 566 A C 1.725 179.321 177.584 0.020 0.000 1.171 566 A CA 1.277 53.342 52.037 0.047 0.000 0.768 566 A CB -0.970 18.043 19.000 0.022 0.000 0.790 566 A HN 0.737 nan 8.150 nan 0.000 0.478 567 N N -2.209 116.496 118.700 0.009 0.000 2.280 567 N HA 0.109 4.850 4.740 0.002 0.000 0.192 567 N C 0.225 175.477 175.510 -0.431 0.000 1.109 567 N CA 0.396 53.300 53.050 -0.242 0.000 0.855 567 N CB 0.193 38.447 38.487 -0.387 0.000 0.974 567 N HN 0.620 nan 8.380 nan 0.000 0.482 568 Y N -0.834 119.538 120.300 0.120 0.000 2.423 568 Y HA 0.294 4.845 4.550 0.002 0.000 0.257 568 Y C 0.702 176.636 175.900 0.056 0.000 1.087 568 Y CA -0.051 58.129 58.100 0.134 0.000 1.258 568 Y CB 1.247 39.881 38.460 0.290 0.000 1.237 568 Y HN -0.190 nan 8.280 nan 0.000 0.517 569 T N -0.403 114.241 114.554 0.151 0.000 2.802 569 T HA 0.479 4.830 4.350 0.002 0.000 0.311 569 T C -1.788 172.919 174.700 0.013 0.000 1.405 569 T CA -0.608 61.526 62.100 0.057 0.000 1.016 569 T CB 1.654 70.558 68.868 0.060 0.000 1.352 569 T HN -0.151 nan 8.240 nan 0.000 0.498 570 Q N 1.053 120.847 119.800 -0.010 0.000 2.605 570 Q HA 0.517 4.858 4.340 0.002 0.000 0.296 570 Q C -0.407 175.581 176.000 -0.021 0.000 1.056 570 Q CA -0.916 54.874 55.803 -0.021 0.000 0.778 570 Q CB 2.021 30.742 28.738 -0.029 0.000 1.497 570 Q HN 0.726 nan 8.270 nan 0.000 0.443 571 M N 0.076 119.660 119.600 -0.027 0.000 2.207 571 M HA 0.467 4.948 4.480 0.002 0.000 0.311 571 M C 0.617 176.911 176.300 -0.011 0.000 1.127 571 M CA 0.562 55.849 55.300 -0.022 0.000 1.181 571 M CB 0.330 32.907 32.600 -0.038 0.000 1.409 571 M HN 0.804 nan 8.290 nan 0.000 0.461 572 G N -0.731 108.063 108.800 -0.010 0.000 2.488 572 G HA2 0.646 4.607 3.960 0.002 0.000 0.301 572 G HA3 0.646 4.607 3.960 0.002 0.000 0.301 572 G C -1.540 173.245 174.900 -0.192 0.000 1.339 572 G CA -0.224 44.895 45.100 0.031 0.000 0.803 572 G HN 0.957 nan 8.290 nan 0.000 0.482 573 G N -1.168 107.455 108.800 -0.295 0.000 1.985 573 G HA2 0.792 4.753 3.960 0.002 0.000 0.303 573 G HA3 0.792 4.753 3.960 0.002 0.000 0.303 573 G C -0.206 174.140 174.900 -0.924 0.000 1.730 573 G CA 0.810 45.268 45.100 -1.070 0.000 1.057 573 G HN 2.015 nan 8.290 nan 0.000 0.515 574 G N -0.840 107.111 108.800 -1.415 0.000 2.341 574 G HA2 0.687 4.648 3.960 0.002 0.000 0.299 574 G HA3 0.687 4.648 3.960 0.002 0.000 0.299 574 G C -1.775 172.719 174.900 -0.677 0.000 1.274 574 G CA 0.143 44.628 45.100 -1.024 0.000 0.853 574 G HN 1.285 nan 8.290 nan 0.000 0.493 575 V N -0.424 119.416 119.914 -0.123 0.000 2.735 575 V HA 0.755 4.876 4.120 0.002 0.000 0.310 575 V C -0.388 175.739 176.094 0.054 0.000 1.061 575 V CA -0.784 61.546 62.300 0.049 0.000 0.913 575 V CB 1.655 33.502 31.823 0.041 0.000 1.005 575 V HN 0.733 nan 8.190 nan 0.000 0.428 576 V N 4.152 124.067 119.914 0.002 0.000 2.540 576 V HA 0.565 4.686 4.120 0.002 0.000 0.302 576 V C -0.473 175.377 176.094 -0.407 0.000 1.035 576 V CA -0.591 61.588 62.300 -0.202 0.000 0.873 576 V CB 2.099 33.861 31.823 -0.102 0.000 0.992 576 V HN 0.632 nan 8.190 nan 0.000 0.428 577 V N 5.297 124.772 119.914 -0.733 0.000 2.448 577 V HA 0.567 4.688 4.120 0.002 0.000 0.295 577 V C -0.724 175.059 176.094 -0.519 0.000 1.025 577 V CA -0.472 61.445 62.300 -0.638 0.000 0.859 577 V CB 1.442 32.567 31.823 -1.163 0.000 0.988 577 V HN 0.654 nan 8.190 nan 0.000 0.431 578 F N 2.460 122.284 119.950 -0.211 0.000 2.470 578 F HA 0.812 5.340 4.527 0.002 0.000 0.329 578 F C 0.562 176.272 175.800 -0.149 0.000 1.072 578 F CA -0.443 57.456 58.000 -0.167 0.000 0.989 578 F CB 2.180 41.080 39.000 -0.167 0.000 1.193 578 F HN 0.544 nan 8.300 nan 0.000 0.481 579 S N 1.330 117.038 115.700 0.014 0.000 2.570 579 S HA 0.606 5.077 4.470 0.002 0.000 0.270 579 S C -1.447 173.063 174.600 -0.149 0.000 1.149 579 S CA -0.951 57.135 58.200 -0.190 0.000 0.837 579 S CB 1.323 64.334 63.200 -0.315 0.000 1.124 579 S HN 0.450 nan 8.310 nan 0.000 0.465 580 L N 2.933 124.036 121.223 -0.200 0.000 2.584 580 L HA 0.220 4.561 4.340 0.002 0.000 0.272 580 L C 0.589 177.406 176.870 -0.088 0.000 1.195 580 L CA 1.608 56.361 54.840 -0.144 0.000 0.920 580 L CB -1.127 40.844 42.059 -0.147 0.000 1.173 580 L HN 0.891 nan 8.230 nan 0.000 0.489 581 D N 3.155 123.526 120.400 -0.048 0.000 3.079 581 D HA -0.227 4.414 4.640 0.002 0.000 0.214 581 D C 1.155 177.459 176.300 0.007 0.000 1.145 581 D CA 1.213 55.208 54.000 -0.009 0.000 0.958 581 D CB -1.117 39.676 40.800 -0.012 0.000 1.117 581 D HN 1.100 nan 8.370 nan 0.000 0.416 582 G N 0.823 109.623 108.800 -0.000 0.000 2.155 582 G HA2 -0.398 3.563 3.960 0.002 0.000 0.257 582 G HA3 -0.398 3.563 3.960 0.002 0.000 0.257 582 G C 0.302 175.237 174.900 0.057 0.000 0.983 582 G CA 0.913 46.027 45.100 0.024 0.000 0.676 582 G HN 0.593 nan 8.290 nan 0.000 0.528 583 K N 0.488 120.903 120.400 0.025 0.000 2.524 583 K HA 0.443 4.764 4.320 0.002 0.000 0.279 583 K C 0.891 177.578 176.600 0.145 0.000 0.993 583 K CA 0.987 57.302 56.287 0.046 0.000 1.030 583 K CB -0.068 32.420 32.500 -0.021 0.000 0.891 583 K HN 0.858 nan 8.250 nan 0.000 0.488 584 G N 3.426 112.328 108.800 0.169 0.000 2.489 584 G HA2 0.225 4.186 3.960 0.002 0.000 0.305 584 G HA3 0.225 4.186 3.960 0.002 0.000 0.305 584 G C -2.551 172.384 174.900 0.057 0.000 1.311 584 G CA -0.947 44.299 45.100 0.242 0.000 0.813 584 G HN 0.380 nan 8.290 nan 0.000 0.480 585 P HA -0.093 nan 4.420 nan 0.000 0.216 585 P C 0.525 177.565 177.300 -0.433 0.000 1.154 585 P CA 1.326 64.174 63.100 -0.420 0.000 0.865 585 P CB -0.011 31.169 31.700 -0.867 0.000 0.789 586 Y N -0.974 119.321 120.300 -0.008 0.000 2.537 586 Y HA 0.067 4.618 4.550 0.002 0.000 0.303 586 Y C 1.500 177.413 175.900 0.022 0.000 1.176 586 Y CA -0.316 57.783 58.100 -0.001 0.000 1.273 586 Y CB -1.139 37.316 38.460 -0.007 0.000 1.110 586 Y HN -0.046 nan 8.280 nan 0.000 0.518 587 D N 0.187 120.651 120.400 0.106 0.000 2.263 587 D HA -0.153 4.488 4.640 0.002 0.000 0.208 587 D C 0.293 176.640 176.300 0.079 0.000 0.971 587 D CA 1.316 55.368 54.000 0.088 0.000 0.867 587 D CB 0.041 40.877 40.800 0.060 0.000 0.929 587 D HN 0.341 nan 8.370 nan 0.000 0.492 588 D N 0.215 120.662 120.400 0.080 0.000 2.485 588 D HA 0.088 4.729 4.640 0.002 0.000 0.229 588 D C -1.609 174.753 176.300 0.104 0.000 1.101 588 D CA -2.185 51.856 54.000 0.069 0.000 0.906 588 D CB 1.269 42.097 40.800 0.046 0.000 1.019 588 D HN -0.112 nan 8.370 nan 0.000 0.516 589 P HA -0.214 nan 4.420 nan 0.000 0.220 589 P C 0.514 177.858 177.300 0.074 0.000 1.142 589 P CA 0.922 64.073 63.100 0.085 0.000 0.801 589 P CB 0.375 32.105 31.700 0.049 0.000 0.764 590 N N -0.539 118.204 118.700 0.072 0.000 2.424 590 N HA 0.016 4.757 4.740 0.002 0.000 0.178 590 N C 0.425 175.981 175.510 0.077 0.000 1.060 590 N CA 0.170 53.254 53.050 0.056 0.000 0.901 590 N CB 0.175 38.684 38.487 0.036 0.000 0.979 590 N HN 0.079 nan 8.380 nan 0.000 0.451 591 V N 0.994 120.978 119.914 0.118 0.000 2.599 591 V HA 0.137 4.258 4.120 0.002 0.000 0.300 591 V C 1.518 177.739 176.094 0.211 0.000 1.034 591 V CA 0.965 63.347 62.300 0.136 0.000 1.115 591 V CB 0.438 32.329 31.823 0.113 0.000 0.934 591 V HN 0.589 nan 8.190 nan 0.000 0.485 592 G N 3.058 111.945 108.800 0.144 0.000 2.199 592 G HA2 -0.188 3.773 3.960 0.002 0.000 0.254 592 G HA3 -0.188 3.773 3.960 0.002 0.000 0.254 592 G C 0.154 175.096 174.900 0.069 0.000 0.982 592 G CA 0.087 45.265 45.100 0.130 0.000 0.632 592 G HN 0.630 nan 8.290 nan 0.000 0.529 593 E N -0.936 119.303 120.200 0.065 0.000 2.371 593 E HA 0.357 4.708 4.350 0.002 0.000 0.257 593 E C -0.135 176.542 176.600 0.127 0.000 1.134 593 E CA -0.683 55.767 56.400 0.083 0.000 0.919 593 E CB 0.697 30.436 29.700 0.066 0.000 1.025 593 E HN 0.342 nan 8.360 nan 0.000 0.438 594 W N 2.723 124.015 121.300 -0.013 0.000 2.331 594 W HA 0.185 4.846 4.660 0.002 0.000 0.306 594 W C -0.216 176.300 176.519 -0.005 0.000 1.162 594 W CA -0.280 57.059 57.345 -0.008 0.000 1.232 594 W CB 0.316 29.769 29.460 -0.011 0.000 1.235 594 W HN 0.335 nan 8.180 nan 0.000 0.479 595 K N 0.000 119.996 120.400 -0.673 0.000 2.780 595 K HA 0.000 4.321 4.320 0.002 0.000 0.191 595 K CA 0.000 55.902 56.287 -0.641 0.000 0.838 595 K CB 0.000 32.313 32.500 -0.311 0.000 1.064 595 K HN 0.000 nan 8.250 nan 0.000 0.543