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 3fcs_1_A DATA FIRST_RESID 1 DATA SEQUENCE LNLDPVQLTF YAGPNGSQFG FSLDFHKDSH GRVAIVVGAP RTLGPSQEET DATA SEQUENCE GGVFLcPWRA EGGQcPSLLF DLRDETRNVG SQTLQTFKAR QGLGASVVSW DATA SEQUENCE SDVIVAcAPW QHWNVLEKTE EAEKTPVGSc FLAQPESGRR AEYSPcRGNT DATA SEQUENCE LSRIYVENDF SWDKRYcEAG FSSVVTQAGE LVLGAPGGYY FLGLLAQAPV DATA SEQUENCE ADIFSSYRPG ILLWHVSSQS LSFDSSNPEY FDGYWGYSVA VGEFDGDLNT DATA SEQUENCE TEYVVGAPTW SWTLGAVEIL DSYYQRLHRL RGEQMASYFG HSVAVTDVNG DATA SEQUENCE DGRHDLLVGA PLYMESRADR KLAEVGRVYL FLQPRGPHAL GAPSLLLTGT DATA SEQUENCE QLYGRFGSAI APLGDLDRDG YNDIAVAAPY GGPSGRGQVL VFLGQSEGLR DATA SEQUENCE SRPSQVLDSP FPTGSAFGFS LRGAVDIDDN GYPDLIVGAY GANQVAVYRA DATA SEQUENCE QPVVKASVQL LVQDSLNPAV KScVLPQTKT PVScFNIQMc VGATGHNIPQ DATA SEQUENCE KLSLNAELQL DRQKPRQGRR VLLLGSQQAG TTLNLDLGGK HSPIcHTTMA DATA SEQUENCE FLRDEADFRD KLSPIVLSLN VSLPPTEAGM APAVVLHGDT HVQEQTRIVL DATA SEQUENCE DcGEDDVcVP QLQLTASVTG SPLLVGADNV LELQMDAANE GEGAYEAELA DATA SEQUENCE VHLPQGAHYM RALSNVEGFE RLIcNQKKEN ETRVVLcELG NPMKKNAQIG DATA SEQUENCE IAMLVSVGNL EEAGESVSFQ LQIRSKNSQN PNSKIVLLDV PVRAEAQVEL DATA SEQUENCE RGNSFPASLV VAAXXXXXXX XXXXSWGPKV EHTYELHNNG PGTVNGLHLS DATA SEQUENCE IHLPGQSQPS DLLYILDIQP QGGLQcFPQP PVNPLKVDWX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXDPVLVSc DSAPcTVVQc DLQEMARGQR DATA SEQUENCE AMVTVLAFLW LPSLYQRPLD QFVLQSHAWF NVSSLPYAVP PLSLPRGEAQ DATA SEQUENCE VWTQLLRAC 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 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.845 176.870 -0.042 0.000 1.165 1 L CA 0.000 54.803 54.840 -0.062 0.000 0.813 1 L CB 0.000 42.008 42.059 -0.084 0.000 0.961 2 N N 0.383 119.069 118.700 -0.022 0.000 2.299 2 N HA 0.218 4.959 4.740 0.000 0.000 0.246 2 N C -0.457 175.046 175.510 -0.011 0.000 1.254 2 N CA -0.265 52.771 53.050 -0.022 0.000 0.879 2 N CB 0.452 38.918 38.487 -0.035 0.000 1.214 2 N HN 0.308 nan 8.380 nan 0.000 0.510 3 L N 1.003 122.229 121.223 0.005 0.000 2.380 3 L HA 0.167 4.507 4.340 0.000 0.000 0.273 3 L C 0.427 177.341 176.870 0.073 0.000 1.138 3 L CA -0.289 54.580 54.840 0.048 0.000 0.832 3 L CB 0.732 42.809 42.059 0.031 0.000 1.124 3 L HN 0.029 nan 8.230 nan 0.000 0.454 4 D N 5.585 126.053 120.400 0.113 0.000 2.338 4 D HA 0.089 4.729 4.640 0.000 0.000 0.255 4 D C -1.628 174.785 176.300 0.189 0.000 1.237 4 D CA -1.521 52.543 54.000 0.107 0.000 0.883 4 D CB 1.497 42.344 40.800 0.078 0.000 1.087 4 D HN 0.267 nan 8.370 nan 0.000 0.485 5 P HA -0.014 nan 4.420 nan 0.000 0.245 5 P C 1.235 178.614 177.300 0.131 0.000 1.203 5 P CA 0.069 63.291 63.100 0.204 0.000 0.792 5 P CB 0.798 32.563 31.700 0.108 0.000 0.997 6 V N 0.139 120.097 119.914 0.074 0.000 2.436 6 V HA 0.001 4.121 4.120 0.000 0.000 0.240 6 V C 1.409 177.516 176.094 0.021 0.000 1.040 6 V CA 1.169 63.495 62.300 0.042 0.000 1.052 6 V CB -1.066 30.775 31.823 0.031 0.000 0.707 6 V HN 0.074 nan 8.190 nan 0.000 0.469 7 Q N 1.452 121.261 119.800 0.017 0.000 2.844 7 Q HA 0.373 4.713 4.340 0.000 0.000 0.235 7 Q C -0.820 175.146 176.000 -0.057 0.000 1.336 7 Q CA -0.015 55.786 55.803 -0.003 0.000 1.026 7 Q CB 0.079 28.829 28.738 0.020 0.000 1.513 7 Q HN 0.514 nan 8.270 nan 0.000 0.577 8 L N 0.365 121.493 121.223 -0.158 0.000 2.416 8 L HA 0.531 4.871 4.340 0.000 0.000 0.262 8 L C 0.318 176.928 176.870 -0.433 0.000 1.093 8 L CA -0.650 53.942 54.840 -0.413 0.000 0.801 8 L CB 1.340 42.974 42.059 -0.709 0.000 1.191 8 L HN 0.200 nan 8.230 nan 0.000 0.459 9 T N 1.072 115.325 114.554 -0.501 0.000 2.809 9 T HA 0.540 4.890 4.350 0.000 0.000 0.284 9 T C -0.775 173.637 174.700 -0.480 0.000 0.992 9 T CA -0.273 61.612 62.100 -0.358 0.000 0.957 9 T CB 0.689 69.520 68.868 -0.061 0.000 0.942 9 T HN 0.107 nan 8.240 nan 0.000 0.439 10 F N 2.726 122.600 119.950 -0.128 0.000 2.411 10 F HA 0.515 5.042 4.527 0.000 0.000 0.352 10 F C -0.295 175.406 175.800 -0.164 0.000 1.123 10 F CA -1.078 56.912 58.000 -0.016 0.000 1.044 10 F CB 0.869 39.901 39.000 0.055 0.000 1.135 10 F HN 0.496 nan 8.300 nan 0.000 0.461 11 Y N 1.902 122.374 120.300 0.287 0.000 2.342 11 Y HA 0.699 5.249 4.550 0.000 0.000 0.334 11 Y C 0.182 176.099 175.900 0.028 0.000 1.067 11 Y CA -0.956 57.241 58.100 0.163 0.000 1.128 11 Y CB 1.636 40.248 38.460 0.252 0.000 1.200 11 Y HN 0.656 nan 8.280 nan 0.000 0.464 12 A N 1.652 124.392 122.820 -0.133 0.000 2.401 12 A HA 0.897 5.217 4.320 0.000 0.000 0.310 12 A C -0.203 176.770 177.584 -1.019 0.000 1.075 12 A CA -0.216 51.552 52.037 -0.447 0.000 0.746 12 A CB 1.147 20.015 19.000 -0.219 0.000 1.277 12 A HN 0.855 nan 8.150 nan 0.000 0.425 13 G N 0.119 108.174 108.800 -1.241 0.000 2.788 13 G HA2 0.711 4.671 3.960 0.000 0.000 0.293 13 G HA3 0.711 4.671 3.960 0.000 0.000 0.293 13 G C -3.079 171.565 174.900 -0.425 0.000 1.305 13 G CA -1.800 42.616 45.100 -1.140 0.000 1.005 13 G HN 0.514 nan 8.290 nan 0.000 0.496 14 P HA 0.044 nan 4.420 nan 0.000 0.266 14 P C -0.236 177.051 177.300 -0.021 0.000 1.193 14 P CA -0.259 62.808 63.100 -0.054 0.000 0.770 14 P CB 0.458 32.196 31.700 0.063 0.000 0.836 15 N N 1.694 120.385 118.700 -0.015 0.000 2.483 15 N HA 0.262 5.002 4.740 0.000 0.000 0.264 15 N C 1.255 176.783 175.510 0.029 0.000 1.197 15 N CA 1.624 54.674 53.050 0.000 0.000 0.927 15 N CB -0.360 38.123 38.487 -0.007 0.000 1.065 15 N HN 0.671 nan 8.380 nan 0.000 0.461 16 G N 1.529 110.354 108.800 0.043 0.000 2.159 16 G HA2 -0.299 3.662 3.960 0.000 0.000 0.256 16 G HA3 -0.299 3.662 3.960 0.000 0.000 0.256 16 G C 0.782 175.728 174.900 0.076 0.000 0.977 16 G CA 0.766 45.899 45.100 0.054 0.000 0.652 16 G HN 0.874 nan 8.290 nan 0.000 0.531 17 S N -0.741 115.023 115.700 0.107 0.000 2.524 17 S HA 0.239 4.709 4.470 0.000 0.000 0.216 17 S C 1.186 175.888 174.600 0.170 0.000 0.987 17 S CA 1.157 59.445 58.200 0.148 0.000 0.909 17 S CB -0.108 63.219 63.200 0.211 0.000 0.781 17 S HN 1.044 nan 8.310 nan 0.000 0.521 18 Q N -0.044 119.872 119.800 0.194 0.000 2.475 18 Q HA -0.193 4.148 4.340 0.000 0.000 0.280 18 Q C -0.561 175.623 176.000 0.306 0.000 1.234 18 Q CA 0.436 56.402 55.803 0.271 0.000 0.873 18 Q CB -2.365 26.475 28.738 0.169 0.000 1.256 18 Q HN 0.743 nan 8.270 nan 0.000 0.475 19 F N 0.774 120.798 119.950 0.123 0.000 2.593 19 F HA 0.222 4.749 4.527 0.000 0.000 0.393 19 F C 1.439 177.314 175.800 0.125 0.000 1.037 19 F CA 2.059 60.111 58.000 0.087 0.000 1.195 19 F CB 0.387 39.353 39.000 -0.056 0.000 1.034 19 F HN 0.318 nan 8.300 nan 0.000 0.552 20 G N 4.998 113.649 108.800 -0.249 0.000 2.144 20 G HA2 -0.363 3.597 3.960 0.000 0.000 0.218 20 G HA3 -0.363 3.597 3.960 0.000 0.000 0.218 20 G C 0.601 175.584 174.900 0.138 0.000 0.988 20 G CA 0.101 45.144 45.100 -0.095 0.000 0.659 20 G HN 0.771 nan 8.290 nan 0.000 0.522 21 F N 2.306 122.284 119.950 0.047 0.000 2.216 21 F HA 0.239 4.766 4.527 0.000 0.000 0.300 21 F C 1.493 177.346 175.800 0.089 0.000 1.085 21 F CA 2.094 60.137 58.000 0.071 0.000 1.326 21 F CB 0.234 39.176 39.000 -0.096 0.000 1.027 21 F HN 0.572 nan 8.300 nan 0.000 0.497 22 S N -0.243 115.554 115.700 0.162 0.000 2.607 22 S HA 0.741 5.211 4.470 0.000 0.000 0.273 22 S C -1.282 173.291 174.600 -0.045 0.000 1.148 22 S CA -0.637 57.586 58.200 0.038 0.000 0.833 22 S CB 2.438 65.690 63.200 0.087 0.000 1.130 22 S HN 0.227 nan 8.310 nan 0.000 0.470 23 L N -1.487 119.687 121.223 -0.082 0.000 2.775 23 L HA 1.006 5.346 4.340 0.000 0.000 0.263 23 L C -1.521 175.260 176.870 -0.148 0.000 1.017 23 L CA -0.564 54.196 54.840 -0.133 0.000 0.891 23 L CB 0.860 42.814 42.059 -0.175 0.000 1.482 23 L HN 0.870 nan 8.230 nan 0.000 0.410 24 D N -0.605 119.686 120.400 -0.183 0.000 2.685 24 D HA 0.572 5.212 4.640 0.000 0.000 0.236 24 D C -1.660 174.532 176.300 -0.179 0.000 1.233 24 D CA -0.265 53.636 54.000 -0.165 0.000 0.760 24 D CB 1.387 42.186 40.800 -0.002 0.000 1.410 24 D HN 0.379 nan 8.370 nan 0.000 0.439 25 F N 1.522 121.508 119.950 0.060 0.000 2.429 25 F HA 0.387 4.914 4.527 0.000 0.000 0.348 25 F C 0.592 176.466 175.800 0.123 0.000 1.109 25 F CA -0.038 58.002 58.000 0.066 0.000 1.232 25 F CB 0.800 39.815 39.000 0.024 0.000 1.157 25 F HN 0.263 nan 8.300 nan 0.000 0.564 26 H N 2.338 121.528 119.070 0.200 0.000 2.589 26 H HA 0.412 4.968 4.556 0.000 0.000 0.351 26 H C -1.235 174.154 175.328 0.102 0.000 1.074 26 H CA -1.013 55.110 56.048 0.125 0.000 1.203 26 H CB 1.370 31.189 29.762 0.096 0.000 1.558 26 H HN 0.583 nan 8.280 nan 0.000 0.522 27 K N 4.082 124.187 120.400 -0.493 0.000 2.394 27 K HA 0.203 4.523 4.320 0.000 0.000 0.260 27 K C -0.768 175.545 176.600 -0.479 0.000 0.967 27 K CA -0.962 55.123 56.287 -0.336 0.000 0.855 27 K CB 0.677 33.056 32.500 -0.202 0.000 1.101 27 K HN 0.817 nan 8.250 nan 0.000 0.433 28 D N 2.083 122.343 120.400 -0.233 0.000 2.384 28 D HA -0.077 4.563 4.640 0.000 0.000 0.244 28 D C 1.008 177.262 176.300 -0.077 0.000 1.251 28 D CA -0.156 53.787 54.000 -0.095 0.000 0.961 28 D CB 0.807 41.652 40.800 0.075 0.000 1.116 28 D HN 0.431 nan 8.370 nan 0.000 0.484 29 S N -0.533 115.147 115.700 -0.035 0.000 2.399 29 S HA -0.263 4.207 4.470 0.000 0.000 0.231 29 S C 1.511 176.020 174.600 -0.151 0.000 1.022 29 S CA 1.170 59.300 58.200 -0.116 0.000 0.983 29 S CB -0.904 62.208 63.200 -0.146 0.000 0.803 29 S HN 0.603 nan 8.310 nan 0.000 0.480 30 H N 1.174 120.221 119.070 -0.039 0.000 2.555 30 H HA 0.355 4.911 4.556 0.000 0.000 0.269 30 H C 1.878 177.190 175.328 -0.026 0.000 0.988 30 H CA 0.633 56.666 56.048 -0.024 0.000 1.178 30 H CB -0.068 29.691 29.762 -0.005 0.000 1.373 30 H HN 0.624 nan 8.280 nan 0.000 0.588 31 G N 0.140 108.967 108.800 0.045 0.000 2.259 31 G HA2 -0.282 3.678 3.960 0.000 0.000 0.217 31 G HA3 -0.282 3.678 3.960 0.000 0.000 0.217 31 G C 0.428 175.335 174.900 0.012 0.000 1.001 31 G CA -0.271 44.830 45.100 0.001 0.000 0.627 31 G HN 0.320 nan 8.290 nan 0.000 0.501 32 R N 0.543 121.076 120.500 0.055 0.000 2.585 32 R HA 0.368 4.708 4.340 0.000 0.000 0.275 32 R C 0.252 176.587 176.300 0.058 0.000 1.018 32 R CA 0.171 56.314 56.100 0.072 0.000 1.072 32 R CB 0.890 31.250 30.300 0.100 0.000 0.953 32 R HN 0.123 nan 8.270 nan 0.000 0.419 33 V N 2.922 122.879 119.914 0.070 0.000 2.465 33 V HA 0.503 4.623 4.120 0.000 0.000 0.279 33 V C 0.395 176.596 176.094 0.177 0.000 1.045 33 V CA -0.172 62.175 62.300 0.079 0.000 0.938 33 V CB 1.282 33.111 31.823 0.010 0.000 0.986 33 V HN 0.953 nan 8.190 nan 0.000 0.467 34 A N 5.450 128.395 122.820 0.209 0.000 2.486 34 A HA 0.920 5.240 4.320 0.000 0.000 0.289 34 A C -0.968 176.748 177.584 0.220 0.000 1.176 34 A CA -0.743 51.434 52.037 0.233 0.000 0.757 34 A CB 1.449 20.583 19.000 0.223 0.000 1.337 34 A HN 0.677 nan 8.150 nan 0.000 0.423 35 I N 1.078 121.717 120.570 0.115 0.000 2.389 35 I HA 0.330 4.500 4.170 0.000 0.000 0.288 35 I C -0.839 175.272 176.117 -0.010 0.000 0.999 35 I CA -0.827 60.480 61.300 0.012 0.000 1.129 35 I CB 1.782 39.723 38.000 -0.097 0.000 1.288 35 I HN 0.264 nan 8.210 nan 0.000 0.444 36 V N 7.448 127.358 119.914 -0.006 0.000 2.461 36 V HA 0.291 4.411 4.120 0.000 0.000 0.275 36 V C 0.117 176.169 176.094 -0.070 0.000 1.047 36 V CA -0.362 61.929 62.300 -0.014 0.000 0.955 36 V CB 1.494 33.314 31.823 -0.004 0.000 0.988 36 V HN 0.413 nan 8.190 nan 0.000 0.471 37 V N 3.918 123.791 119.914 -0.069 0.000 2.588 37 V HA 0.716 4.836 4.120 0.000 0.000 0.304 37 V C 0.536 176.549 176.094 -0.135 0.000 1.042 37 V CA -0.463 61.698 62.300 -0.232 0.000 0.877 37 V CB 1.963 33.427 31.823 -0.600 0.000 0.996 37 V HN 0.936 nan 8.190 nan 0.000 0.425 38 G N 2.607 111.334 108.800 -0.123 0.000 2.348 38 G HA2 0.646 4.606 3.960 0.000 0.000 0.312 38 G HA3 0.646 4.606 3.960 0.000 0.000 0.312 38 G C -0.315 174.602 174.900 0.027 0.000 1.126 38 G CA -0.189 44.911 45.100 -0.000 0.000 0.865 38 G HN 1.186 nan 8.290 nan 0.000 0.474 39 A N 4.157 127.058 122.820 0.135 0.000 2.893 39 A HA 0.665 4.985 4.320 0.000 0.000 0.333 39 A C -1.836 175.811 177.584 0.105 0.000 1.152 39 A CA -1.236 50.921 52.037 0.200 0.000 0.782 39 A CB 1.634 20.916 19.000 0.470 0.000 1.108 39 A HN 0.434 nan 8.150 nan 0.000 0.469 40 P HA 0.029 nan 4.420 nan 0.000 0.249 40 P C 0.417 177.686 177.300 -0.052 0.000 1.241 40 P CA 0.508 63.557 63.100 -0.084 0.000 0.781 40 P CB 0.110 31.645 31.700 -0.275 0.000 1.088 41 R N -1.161 119.336 120.500 -0.005 0.000 2.590 41 R HA 0.194 4.534 4.340 0.000 0.000 0.410 41 R C 0.047 176.379 176.300 0.052 0.000 1.010 41 R CA -0.084 56.020 56.100 0.006 0.000 1.155 41 R CB 0.293 30.584 30.300 -0.014 0.000 1.455 41 R HN 0.033 nan 8.270 nan 0.000 0.567 42 T N 2.190 116.798 114.554 0.090 0.000 2.946 42 T HA 0.102 4.452 4.350 0.000 0.000 0.311 42 T C 0.694 175.435 174.700 0.069 0.000 1.063 42 T CA 0.220 62.392 62.100 0.120 0.000 1.139 42 T CB 0.930 69.902 68.868 0.173 0.000 0.994 42 T HN 0.085 nan 8.240 nan 0.000 0.547 43 L N 2.303 123.566 121.223 0.067 0.000 2.426 43 L HA 0.427 4.767 4.340 0.000 0.000 0.271 43 L C 1.380 178.271 176.870 0.035 0.000 1.169 43 L CA -0.382 54.484 54.840 0.044 0.000 0.836 43 L CB 0.270 42.353 42.059 0.041 0.000 1.112 43 L HN 0.820 nan 8.230 nan 0.000 0.465 44 G N 1.859 110.675 108.800 0.026 0.000 2.630 44 G HA2 0.344 4.304 3.960 0.000 0.000 0.223 44 G HA3 0.344 4.304 3.960 0.000 0.000 0.223 44 G C -1.678 173.233 174.900 0.020 0.000 1.434 44 G CA -0.329 44.782 45.100 0.018 0.000 1.057 44 G HN 0.537 nan 8.290 nan 0.000 0.570 45 P HA 0.070 nan 4.420 nan 0.000 0.219 45 P C 1.267 178.580 177.300 0.021 0.000 1.154 45 P CA 0.822 63.934 63.100 0.019 0.000 0.826 45 P CB 0.321 32.033 31.700 0.020 0.000 0.795 46 S N 0.840 116.555 115.700 0.025 0.000 2.743 46 S HA 0.066 4.536 4.470 0.000 0.000 0.230 46 S C 0.179 174.793 174.600 0.023 0.000 0.950 46 S CA -0.076 58.139 58.200 0.025 0.000 0.976 46 S CB -0.739 62.480 63.200 0.031 0.000 0.779 46 S HN 0.136 nan 8.310 nan 0.000 0.487 47 Q N 0.170 119.983 119.800 0.022 0.000 2.478 47 Q HA -0.177 4.163 4.340 0.000 0.000 0.286 47 Q C -0.557 175.455 176.000 0.020 0.000 1.299 47 Q CA 1.025 56.841 55.803 0.020 0.000 0.826 47 Q CB -2.241 26.507 28.738 0.017 0.000 1.199 47 Q HN 0.708 nan 8.270 nan 0.000 0.451 48 E N -0.246 119.968 120.200 0.024 0.000 2.383 48 E HA 0.384 4.734 4.350 0.000 0.000 0.275 48 E C -0.807 175.808 176.600 0.025 0.000 0.918 48 E CA -0.827 55.586 56.400 0.023 0.000 0.764 48 E CB 1.279 30.996 29.700 0.028 0.000 1.252 48 E HN 0.106 nan 8.360 nan 0.000 0.449 49 E N 1.082 121.294 120.200 0.020 0.000 2.328 49 E HA 0.031 4.382 4.350 0.000 0.000 0.265 49 E C 0.344 176.962 176.600 0.031 0.000 1.057 49 E CA 0.388 56.800 56.400 0.020 0.000 0.916 49 E CB 0.479 30.181 29.700 0.003 0.000 0.993 49 E HN 0.566 nan 8.360 nan 0.000 0.446 50 T N 0.024 114.595 114.554 0.029 0.000 3.016 50 T HA 0.373 4.723 4.350 0.000 0.000 0.271 50 T C 0.805 175.508 174.700 0.005 0.000 0.968 50 T CA -0.005 62.113 62.100 0.030 0.000 0.891 50 T CB 0.616 69.495 68.868 0.018 0.000 1.149 50 T HN 0.689 nan 8.240 nan 0.000 0.524 51 G N -0.408 108.396 108.800 0.007 0.000 2.746 51 G HA2 0.408 4.368 3.960 0.000 0.000 0.685 51 G HA3 0.408 4.368 3.960 0.000 0.000 0.685 51 G C -0.181 174.706 174.900 -0.022 0.000 1.350 51 G CA -0.436 44.661 45.100 -0.005 0.000 0.837 51 G HN 1.473 nan 8.290 nan 0.000 0.564 52 G N -2.160 106.637 108.800 -0.004 0.000 2.623 52 G HA2 0.791 4.752 3.960 0.000 0.000 0.290 52 G HA3 0.791 4.752 3.960 0.000 0.000 0.290 52 G C -1.506 173.374 174.900 -0.032 0.000 1.437 52 G CA 0.308 45.376 45.100 -0.054 0.000 0.798 52 G HN 1.704 nan 8.290 nan 0.000 0.488 53 V N 0.460 120.299 119.914 -0.127 0.000 2.577 53 V HA 0.616 4.736 4.120 0.000 0.000 0.303 53 V C -1.053 174.921 176.094 -0.200 0.000 1.042 53 V CA -0.593 61.693 62.300 -0.022 0.000 0.872 53 V CB 1.287 33.192 31.823 0.136 0.000 0.998 53 V HN 0.604 nan 8.190 nan 0.000 0.423 54 F N 4.235 124.237 119.950 0.087 0.000 2.483 54 F HA 0.734 5.261 4.527 0.000 0.000 0.329 54 F C -0.183 175.646 175.800 0.050 0.000 1.064 54 F CA -0.920 57.148 58.000 0.114 0.000 0.986 54 F CB 1.825 40.998 39.000 0.287 0.000 1.218 54 F HN 0.307 nan 8.300 nan 0.000 0.484 55 L N 2.999 124.353 121.223 0.218 0.000 2.401 55 L HA 0.497 4.837 4.340 0.000 0.000 0.263 55 L C -1.215 175.724 176.870 0.115 0.000 1.004 55 L CA -0.462 54.446 54.840 0.112 0.000 0.881 55 L CB 0.340 42.426 42.059 0.047 0.000 1.219 55 L HN 0.646 nan 8.230 nan 0.000 0.441 56 c N 6.411 125.040 118.600 0.049 0.000 2.499 56 c HA 0.507 5.077 4.570 0.000 0.000 0.386 56 c C -1.905 172.189 174.090 0.006 0.000 1.293 56 c CA -0.932 55.358 56.329 -0.064 0.000 1.884 56 c CB -0.038 42.164 42.510 -0.514 0.000 2.509 56 c HN 0.592 nan 8.230 nan 0.000 0.566 57 P HA 0.043 nan 4.420 nan 0.000 0.279 57 P C -0.482 177.003 177.300 0.308 0.000 1.252 57 P CA -0.527 62.687 63.100 0.189 0.000 0.811 57 P CB 0.674 32.467 31.700 0.155 0.000 1.035 58 W N 4.809 126.207 121.300 0.163 0.000 2.546 58 W HA 0.188 4.848 4.660 0.000 0.000 0.323 58 W C -0.964 175.679 176.519 0.207 0.000 1.272 58 W CA -0.375 57.103 57.345 0.222 0.000 1.404 58 W CB 0.284 29.843 29.460 0.166 0.000 1.411 58 W HN 0.344 nan 8.180 nan 0.000 0.480 59 R N 4.496 124.722 120.500 -0.457 0.000 2.561 59 R HA 0.379 4.719 4.340 0.000 0.000 0.297 59 R C 0.864 176.488 176.300 -1.127 0.000 0.969 59 R CA -0.259 55.404 56.100 -0.728 0.000 0.879 59 R CB 1.872 32.010 30.300 -0.270 0.000 1.178 59 R HN 0.555 nan 8.270 nan 0.000 0.445 60 A N 2.569 124.765 122.820 -1.040 0.000 1.978 60 A HA -0.210 4.110 4.320 0.000 0.000 0.220 60 A C 1.745 179.090 177.584 -0.399 0.000 1.170 60 A CA 1.680 53.304 52.037 -0.688 0.000 0.636 60 A CB -0.264 18.553 19.000 -0.306 0.000 0.810 60 A HN 0.856 nan 8.150 nan 0.000 0.448 61 E N -0.385 119.612 120.200 -0.337 0.000 2.285 61 E HA 0.258 4.608 4.350 0.000 0.000 0.194 61 E C 1.207 177.634 176.600 -0.288 0.000 0.997 61 E CA 0.874 57.137 56.400 -0.229 0.000 0.845 61 E CB -0.909 28.694 29.700 -0.160 0.000 0.782 61 E HN 1.004 nan 8.360 nan 0.000 0.491 62 G N 0.542 109.058 108.800 -0.474 0.000 2.598 62 G HA2 0.045 4.005 3.960 0.000 0.000 0.244 62 G HA3 0.045 4.005 3.960 0.000 0.000 0.244 62 G C 0.437 175.092 174.900 -0.408 0.000 1.302 62 G CA 0.332 44.935 45.100 -0.828 0.000 0.903 62 G HN 1.166 nan 8.290 nan 0.000 0.575 63 G N -2.749 105.870 108.800 -0.302 0.000 2.250 63 G HA2 0.490 4.450 3.960 0.000 0.000 0.252 63 G HA3 0.490 4.450 3.960 0.000 0.000 0.252 63 G C -0.776 174.155 174.900 0.051 0.000 1.325 63 G CA 0.426 45.489 45.100 -0.061 0.000 1.091 63 G HN 1.311 nan 8.290 nan 0.000 0.476 64 Q N -0.348 119.467 119.800 0.026 0.000 2.259 64 Q HA 0.556 4.896 4.340 0.000 0.000 0.249 64 Q C -0.173 175.884 176.000 0.094 0.000 0.914 64 Q CA -0.067 55.732 55.803 -0.006 0.000 0.904 64 Q CB 1.505 30.229 28.738 -0.024 0.000 1.213 64 Q HN 0.705 nan 8.270 nan 0.000 0.428 65 c N 3.061 121.712 118.600 0.085 0.000 2.454 65 c HA 0.641 5.211 4.570 0.000 0.000 0.336 65 c C -1.854 172.423 174.090 0.311 0.000 1.189 65 c CA -1.294 55.160 56.329 0.208 0.000 1.877 65 c CB 1.224 43.888 42.510 0.256 0.000 2.348 65 c HN 0.702 nan 8.230 nan 0.000 0.508 66 P HA 0.286 nan 4.420 nan 0.000 0.276 66 P C -0.672 176.769 177.300 0.235 0.000 1.244 66 P CA 0.118 63.347 63.100 0.215 0.000 0.801 66 P CB 0.788 32.553 31.700 0.109 0.000 1.006 67 S N 0.987 116.698 115.700 0.018 0.000 2.549 67 S HA 0.527 4.997 4.470 0.000 0.000 0.297 67 S C 0.050 174.511 174.600 -0.232 0.000 1.115 67 S CA -0.964 57.046 58.200 -0.317 0.000 1.059 67 S CB 0.649 63.463 63.200 -0.643 0.000 1.046 67 S HN 0.309 nan 8.310 nan 0.000 0.506 68 L N 2.253 123.310 121.223 -0.278 0.000 2.319 68 L HA 0.330 4.670 4.340 0.000 0.000 0.280 68 L C -0.295 176.274 176.870 -0.501 0.000 1.099 68 L CA -0.651 53.970 54.840 -0.366 0.000 0.828 68 L CB 0.494 42.310 42.059 -0.404 0.000 1.150 68 L HN 0.573 nan 8.230 nan 0.000 0.442 69 L N 4.218 125.162 121.223 -0.466 0.000 2.410 69 L HA 0.246 4.586 4.340 0.000 0.000 0.273 69 L C -0.646 175.879 176.870 -0.575 0.000 1.144 69 L CA 0.397 55.014 54.840 -0.372 0.000 0.863 69 L CB 0.069 41.998 42.059 -0.216 0.000 1.140 69 L HN 0.345 nan 8.230 nan 0.000 0.463 70 F N 0.696 120.568 119.950 -0.130 0.000 2.576 70 F HA 0.229 4.756 4.527 0.000 0.000 0.313 70 F C 0.211 175.945 175.800 -0.110 0.000 1.078 70 F CA -1.314 56.593 58.000 -0.154 0.000 0.921 70 F CB 1.423 40.188 39.000 -0.391 0.000 1.232 70 F HN 0.338 nan 8.300 nan 0.000 0.459 71 D N 2.799 123.339 120.400 0.234 0.000 2.349 71 D HA 0.118 4.758 4.640 0.000 0.000 0.266 71 D C 0.301 176.681 176.300 0.134 0.000 1.293 71 D CA 0.621 54.731 54.000 0.185 0.000 0.926 71 D CB 0.517 41.469 40.800 0.254 0.000 1.090 71 D HN 0.533 nan 8.370 nan 0.000 0.502 72 L N 3.638 124.902 121.223 0.068 0.000 2.769 72 L HA 0.238 4.578 4.340 0.000 0.000 0.240 72 L C 1.079 177.993 176.870 0.072 0.000 1.163 72 L CA -0.270 54.596 54.840 0.044 0.000 0.962 72 L CB 0.088 42.150 42.059 0.005 0.000 1.258 72 L HN 0.071 nan 8.230 nan 0.000 0.513 73 R N 0.092 120.644 120.500 0.086 0.000 2.531 73 R HA 0.235 4.575 4.340 0.000 0.000 0.273 73 R C -0.626 175.715 176.300 0.070 0.000 1.070 73 R CA -0.740 55.401 56.100 0.068 0.000 1.112 73 R CB 0.777 31.113 30.300 0.059 0.000 1.049 73 R HN -0.080 nan 8.270 nan 0.000 0.508 74 D N 1.973 122.392 120.400 0.032 0.000 2.304 74 D HA 0.105 4.745 4.640 0.000 0.000 0.250 74 D C -0.343 175.934 176.300 -0.037 0.000 1.107 74 D CA 0.033 54.017 54.000 -0.025 0.000 0.885 74 D CB 1.108 41.853 40.800 -0.091 0.000 1.192 74 D HN 0.299 nan 8.370 nan 0.000 0.436 75 E N 0.081 120.253 120.200 -0.047 0.000 2.214 75 E HA 0.593 4.943 4.350 0.000 0.000 0.274 75 E C -0.600 175.948 176.600 -0.087 0.000 0.977 75 E CA -0.607 55.778 56.400 -0.025 0.000 0.827 75 E CB 1.589 31.314 29.700 0.042 0.000 1.130 75 E HN 0.093 nan 8.360 nan 0.000 0.394 76 T N 2.789 117.307 114.554 -0.059 0.000 3.031 76 T HA 0.467 4.817 4.350 0.000 0.000 0.305 76 T C -0.938 173.742 174.700 -0.034 0.000 0.985 76 T CA -0.926 61.129 62.100 -0.074 0.000 1.008 76 T CB 0.611 69.432 68.868 -0.079 0.000 1.005 76 T HN 0.142 nan 8.240 nan 0.000 0.444 77 R N 3.054 123.539 120.500 -0.025 0.000 2.502 77 R HA 0.421 4.761 4.340 0.000 0.000 0.300 77 R C -0.885 175.411 176.300 -0.007 0.000 0.984 77 R CA -0.825 55.273 56.100 -0.004 0.000 0.882 77 R CB 1.483 31.796 30.300 0.022 0.000 1.180 77 R HN 0.502 nan 8.270 nan 0.000 0.444 78 N N 2.020 120.716 118.700 -0.007 0.000 2.414 78 N HA 0.211 4.951 4.740 0.000 0.000 0.256 78 N C -0.637 174.876 175.510 0.005 0.000 1.029 78 N CA -0.174 52.873 53.050 -0.005 0.000 0.948 78 N CB 2.029 40.512 38.487 -0.006 0.000 1.102 78 N HN 0.182 nan 8.380 nan 0.000 0.496 79 V N 1.810 121.731 119.914 0.012 0.000 2.305 79 V HA 0.508 4.628 4.120 0.000 0.000 0.275 79 V C 1.011 177.116 176.094 0.018 0.000 1.020 79 V CA -0.310 62.001 62.300 0.019 0.000 0.811 79 V CB 0.433 32.277 31.823 0.034 0.000 1.031 79 V HN 0.964 nan 8.190 nan 0.000 0.439 80 G N 5.004 113.812 108.800 0.012 0.000 2.556 80 G HA2 -0.334 3.626 3.960 0.000 0.000 0.283 80 G HA3 -0.334 3.626 3.960 0.000 0.000 0.283 80 G C 1.272 176.177 174.900 0.009 0.000 1.177 80 G CA 0.934 46.041 45.100 0.011 0.000 0.978 80 G HN 1.362 nan 8.290 nan 0.000 0.554 81 S N 0.066 115.772 115.700 0.010 0.000 2.453 81 S HA 0.146 4.616 4.470 0.000 0.000 0.231 81 S C 1.155 175.759 174.600 0.007 0.000 1.005 81 S CA 1.746 59.951 58.200 0.008 0.000 0.949 81 S CB -0.039 63.166 63.200 0.009 0.000 0.774 81 S HN 0.804 nan 8.310 nan 0.000 0.510 82 Q N 0.868 120.674 119.800 0.010 0.000 2.312 82 Q HA 0.491 4.831 4.340 0.000 0.000 0.236 82 Q C -0.971 175.024 176.000 -0.009 0.000 0.965 82 Q CA 0.013 55.819 55.803 0.004 0.000 0.894 82 Q CB 1.170 29.919 28.738 0.020 0.000 1.225 82 Q HN 0.149 nan 8.270 nan 0.000 0.478 83 T N 1.948 116.482 114.554 -0.034 0.000 2.906 83 T HA 0.389 4.739 4.350 0.000 0.000 0.302 83 T C -0.602 174.022 174.700 -0.127 0.000 1.002 83 T CA -0.592 61.474 62.100 -0.056 0.000 0.988 83 T CB 0.353 69.193 68.868 -0.046 0.000 0.972 83 T HN 0.311 nan 8.240 nan 0.000 0.447 84 L N 3.556 124.697 121.223 -0.136 0.000 2.326 84 L HA 0.512 4.852 4.340 0.000 0.000 0.278 84 L C 0.342 177.007 176.870 -0.342 0.000 1.092 84 L CA -0.510 54.151 54.840 -0.300 0.000 0.810 84 L CB 0.669 42.700 42.059 -0.047 0.000 1.153 84 L HN 0.493 nan 8.230 nan 0.000 0.439 85 Q N 1.818 121.255 119.800 -0.605 0.000 2.305 85 Q HA 0.423 4.763 4.340 0.000 0.000 0.271 85 Q C -0.807 174.925 176.000 -0.446 0.000 1.046 85 Q CA -0.690 54.821 55.803 -0.488 0.000 0.798 85 Q CB 2.872 31.396 28.738 -0.357 0.000 1.286 85 Q HN 0.714 nan 8.270 nan 0.000 0.435 86 T N -1.110 113.223 114.554 -0.368 0.000 2.829 86 T HA 0.753 5.103 4.350 0.000 0.000 0.280 86 T C -0.727 173.720 174.700 -0.421 0.000 0.999 86 T CA -0.535 61.520 62.100 -0.074 0.000 0.983 86 T CB 0.590 69.548 68.868 0.151 0.000 0.968 86 T HN 0.319 nan 8.240 nan 0.000 0.446 87 F N 1.592 121.662 119.950 0.201 0.000 2.500 87 F HA 0.468 4.995 4.527 0.000 0.000 0.349 87 F C 1.119 177.029 175.800 0.184 0.000 1.127 87 F CA -0.975 57.119 58.000 0.157 0.000 0.998 87 F CB 2.126 41.203 39.000 0.130 0.000 1.237 87 F HN 0.577 nan 8.300 nan 0.000 0.439 88 K N 1.791 122.352 120.400 0.269 0.000 2.387 88 K HA 0.362 4.682 4.320 0.000 0.000 0.198 88 K C 0.598 177.309 176.600 0.185 0.000 1.022 88 K CA -0.168 56.253 56.287 0.223 0.000 1.128 88 K CB 0.573 33.178 32.500 0.175 0.000 0.853 88 K HN 0.570 nan 8.250 nan 0.000 0.523 89 A N 1.870 124.804 122.820 0.190 0.000 2.492 89 A HA 0.096 4.416 4.320 0.000 0.000 0.254 89 A C 0.068 177.729 177.584 0.127 0.000 1.091 89 A CA 0.051 52.163 52.037 0.126 0.000 0.768 89 A CB -0.197 18.861 19.000 0.097 0.000 1.028 89 A HN 0.517 nan 8.150 nan 0.000 0.498 90 R N 0.464 121.019 120.500 0.092 0.000 3.516 90 R HA -0.266 4.074 4.340 0.000 0.000 0.271 90 R C 1.250 177.670 176.300 0.200 0.000 1.098 90 R CA 1.179 57.331 56.100 0.085 0.000 0.732 90 R CB -1.757 28.555 30.300 0.020 0.000 1.152 90 R HN 1.032 nan 8.270 nan 0.000 0.455 91 Q N -0.178 119.755 119.800 0.220 0.000 2.297 91 Q HA -0.001 4.339 4.340 0.000 0.000 0.204 91 Q C 1.184 177.372 176.000 0.313 0.000 0.962 91 Q CA 1.035 57.007 55.803 0.282 0.000 0.879 91 Q CB 0.320 29.185 28.738 0.211 0.000 0.947 91 Q HN 0.466 nan 8.270 nan 0.000 0.462 92 G N 1.717 110.665 108.800 0.247 0.000 2.225 92 G HA2 -0.252 3.708 3.960 0.000 0.000 0.264 92 G HA3 -0.252 3.708 3.960 0.000 0.000 0.264 92 G C -0.296 174.618 174.900 0.024 0.000 1.060 92 G CA 0.070 45.313 45.100 0.239 0.000 0.833 92 G HN 0.404 nan 8.290 nan 0.000 0.498 93 L N 0.157 121.365 121.223 -0.026 0.000 2.540 93 L HA 0.485 4.825 4.340 0.000 0.000 0.276 93 L C 1.547 178.353 176.870 -0.106 0.000 1.212 93 L CA 1.874 56.643 54.840 -0.118 0.000 0.893 93 L CB 0.449 42.367 42.059 -0.234 0.000 1.138 93 L HN 1.739 nan 8.230 nan 0.000 0.491 94 G N 2.932 111.663 108.800 -0.115 0.000 2.157 94 G HA2 -0.247 3.713 3.960 0.000 0.000 0.248 94 G HA3 -0.247 3.713 3.960 0.000 0.000 0.248 94 G C 0.888 175.759 174.900 -0.048 0.000 0.979 94 G CA 0.422 45.485 45.100 -0.062 0.000 0.650 94 G HN 1.348 nan 8.290 nan 0.000 0.529 95 A N -0.479 122.263 122.820 -0.130 0.000 2.067 95 A HA 0.503 4.824 4.320 0.000 0.000 0.219 95 A C 1.599 179.202 177.584 0.032 0.000 1.158 95 A CA 2.278 54.218 52.037 -0.163 0.000 0.661 95 A CB -0.174 18.591 19.000 -0.392 0.000 0.801 95 A HN 2.186 nan 8.150 nan 0.000 0.452 96 S N -1.384 114.283 115.700 -0.056 0.000 2.536 96 S HA 0.613 5.083 4.470 0.000 0.000 0.271 96 S C -0.865 173.714 174.600 -0.036 0.000 1.134 96 S CA -0.056 58.123 58.200 -0.036 0.000 0.897 96 S CB 1.528 64.672 63.200 -0.093 0.000 1.094 96 S HN 1.345 nan 8.310 nan 0.000 0.473 97 V N -0.319 119.584 119.914 -0.017 0.000 2.925 97 V HA 1.020 5.140 4.120 0.000 0.000 0.311 97 V C -0.804 175.295 176.094 0.009 0.000 1.104 97 V CA -0.727 61.570 62.300 -0.005 0.000 0.954 97 V CB 1.139 32.961 31.823 -0.002 0.000 1.022 97 V HN 1.526 nan 8.190 nan 0.000 0.427 98 V N 2.042 121.980 119.914 0.040 0.000 2.924 98 V HA 0.760 4.880 4.120 0.000 0.000 0.300 98 V C -0.520 175.658 176.094 0.140 0.000 1.227 98 V CA 0.552 62.897 62.300 0.075 0.000 0.954 98 V CB 2.299 34.157 31.823 0.058 0.000 1.055 98 V HN 1.585 nan 8.190 nan 0.000 0.429 99 S N 5.605 121.422 115.700 0.194 0.000 2.565 99 S HA 0.838 5.308 4.470 0.000 0.000 0.290 99 S C -1.432 173.380 174.600 0.354 0.000 1.150 99 S CA -0.346 58.030 58.200 0.294 0.000 1.058 99 S CB 1.342 64.768 63.200 0.377 0.000 1.032 99 S HN 1.166 nan 8.310 nan 0.000 0.510 100 W N 3.920 125.314 121.300 0.156 0.000 3.439 100 W HA 0.490 5.150 4.660 0.000 0.000 0.323 100 W C 0.209 176.786 176.519 0.097 0.000 1.174 100 W CA 0.491 57.898 57.345 0.103 0.000 1.224 100 W CB 0.886 30.393 29.460 0.078 0.000 1.348 100 W HN 1.020 nan 8.180 nan 0.000 0.498 101 S N 2.525 117.675 115.700 -0.916 0.000 4.112 101 S HA -0.363 4.107 4.470 0.000 0.000 0.602 101 S C 0.569 174.944 174.600 -0.376 0.000 1.939 101 S CA 2.218 59.888 58.200 -0.883 0.000 4.230 101 S CB -1.307 60.984 63.200 -1.515 0.000 0.245 101 S HN 1.064 nan 8.310 nan 0.000 0.530 102 D N 1.963 122.211 120.400 -0.252 0.000 2.615 102 D HA 0.467 5.107 4.640 0.000 0.000 0.236 102 D C -0.034 176.374 176.300 0.181 0.000 1.233 102 D CA -0.032 53.953 54.000 -0.024 0.000 0.829 102 D CB -0.168 40.592 40.800 -0.066 0.000 1.024 102 D HN 0.416 nan 8.370 nan 0.000 0.490 103 V N 0.409 120.481 119.914 0.263 0.000 2.735 103 V HA 0.473 4.593 4.120 0.000 0.000 0.310 103 V C 0.029 176.313 176.094 0.316 0.000 1.061 103 V CA -0.904 61.585 62.300 0.316 0.000 0.913 103 V CB 2.435 34.515 31.823 0.427 0.000 1.005 103 V HN 0.080 nan 8.190 nan 0.000 0.428 104 I N 3.201 123.895 120.570 0.207 0.000 2.474 104 I HA 0.573 4.743 4.170 0.000 0.000 0.294 104 I C -0.954 175.273 176.117 0.183 0.000 1.005 104 I CA -0.932 60.447 61.300 0.131 0.000 1.113 104 I CB 2.223 40.209 38.000 -0.023 0.000 1.289 104 I HN 0.262 nan 8.210 nan 0.000 0.436 105 V N 5.135 125.132 119.914 0.137 0.000 2.407 105 V HA 0.673 4.793 4.120 0.000 0.000 0.291 105 V C -0.007 176.108 176.094 0.035 0.000 1.018 105 V CA -0.473 61.879 62.300 0.087 0.000 0.842 105 V CB 1.420 33.281 31.823 0.064 0.000 0.996 105 V HN 0.825 nan 8.190 nan 0.000 0.426 106 A N 4.157 126.972 122.820 -0.009 0.000 2.343 106 A HA 0.789 5.109 4.320 0.000 0.000 0.316 106 A C -0.507 177.031 177.584 -0.077 0.000 1.104 106 A CA -0.358 51.637 52.037 -0.070 0.000 0.768 106 A CB 1.188 20.107 19.000 -0.134 0.000 1.213 106 A HN 0.808 nan 8.150 nan 0.000 0.456 107 c N 1.297 119.848 118.600 -0.082 0.000 2.454 107 c HA 0.852 5.422 4.570 0.000 0.000 0.336 107 c C 0.766 174.788 174.090 -0.113 0.000 1.189 107 c CA -0.232 56.046 56.329 -0.085 0.000 1.877 107 c CB 1.328 43.759 42.510 -0.132 0.000 2.348 107 c HN 1.037 nan 8.230 nan 0.000 0.508 108 A N 3.034 125.808 122.820 -0.077 0.000 2.536 108 A HA 0.578 4.898 4.320 0.000 0.000 0.329 108 A C -1.951 175.492 177.584 -0.235 0.000 1.321 108 A CA -0.976 51.000 52.037 -0.101 0.000 0.804 108 A CB 0.213 19.259 19.000 0.077 0.000 1.126 108 A HN 0.648 nan 8.150 nan 0.000 0.480 109 P HA -0.132 nan 4.420 nan 0.000 0.216 109 P C 0.542 177.480 177.300 -0.604 0.000 1.150 109 P CA 1.258 63.913 63.100 -0.741 0.000 0.843 109 P CB 0.129 31.003 31.700 -1.376 0.000 0.787 110 W N -0.031 121.256 121.300 -0.022 0.000 3.151 110 W HA 0.322 4.982 4.660 0.000 0.000 0.424 110 W C 0.283 176.831 176.519 0.048 0.000 1.012 110 W CA -0.442 56.892 57.345 -0.018 0.000 2.018 110 W CB -1.121 28.363 29.460 0.040 0.000 1.087 110 W HN 0.114 nan 8.180 nan 0.000 0.740 111 Q N 1.523 121.414 119.800 0.152 0.000 2.281 111 Q HA 0.033 4.373 4.340 0.000 0.000 0.267 111 Q C -0.341 175.781 176.000 0.203 0.000 1.053 111 Q CA 0.330 56.266 55.803 0.221 0.000 0.905 111 Q CB 0.489 29.319 28.738 0.154 0.000 1.195 111 Q HN 0.180 nan 8.270 nan 0.000 0.398 112 H N 2.853 122.094 119.070 0.285 0.000 2.544 112 H HA 0.426 4.982 4.556 0.000 0.000 0.365 112 H C -0.941 174.694 175.328 0.511 0.000 1.268 112 H CA 0.188 56.431 56.048 0.325 0.000 1.400 112 H CB 0.758 30.658 29.762 0.229 0.000 1.538 112 H HN 0.680 nan 8.280 nan 0.000 0.597 113 W N 1.638 123.161 121.300 0.372 0.000 3.645 113 W HA 0.293 4.953 4.660 0.000 0.000 0.285 113 W C -2.191 174.487 176.519 0.265 0.000 1.266 113 W CA -0.393 57.132 57.345 0.300 0.000 1.212 113 W CB 1.713 31.237 29.460 0.107 0.000 1.306 113 W HN 0.593 nan 8.180 nan 0.000 0.552 114 N N 2.651 121.051 118.700 -0.499 0.000 2.405 114 N HA 0.617 5.357 4.740 0.000 0.000 0.274 114 N C -2.240 172.876 175.510 -0.656 0.000 1.170 114 N CA -0.355 52.460 53.050 -0.391 0.000 0.848 114 N CB 2.642 41.123 38.487 -0.010 0.000 1.629 114 N HN 0.152 nan 8.380 nan 0.000 0.481 115 V N 2.931 122.633 119.914 -0.353 0.000 2.487 115 V HA 0.531 4.651 4.120 0.000 0.000 0.298 115 V C -0.240 175.801 176.094 -0.088 0.000 1.028 115 V CA -0.688 61.469 62.300 -0.239 0.000 0.860 115 V CB 1.385 33.153 31.823 -0.093 0.000 0.991 115 V HN 0.493 nan 8.190 nan 0.000 0.427 116 L N 4.045 125.224 121.223 -0.073 0.000 2.322 116 L HA 0.716 5.056 4.340 0.000 0.000 0.279 116 L C -0.104 176.759 176.870 -0.011 0.000 1.036 116 L CA -0.329 54.496 54.840 -0.026 0.000 0.807 116 L CB 1.769 43.816 42.059 -0.019 0.000 1.226 116 L HN 0.709 nan 8.230 nan 0.000 0.433 117 E N 4.054 124.257 120.200 0.005 0.000 2.432 117 E HA 0.247 4.597 4.350 0.000 0.000 0.272 117 E C -0.614 175.993 176.600 0.012 0.000 0.937 117 E CA -0.368 56.037 56.400 0.009 0.000 0.812 117 E CB 0.897 30.606 29.700 0.015 0.000 1.377 117 E HN 0.606 nan 8.360 nan 0.000 0.399 118 K N 0.511 120.917 120.400 0.009 0.000 1.692 118 K HA -0.306 4.014 4.320 0.000 0.000 0.132 118 K C 1.049 177.657 176.600 0.012 0.000 1.028 118 K CA 2.337 58.630 56.287 0.010 0.000 0.304 118 K CB -1.417 31.089 32.500 0.010 0.000 0.686 118 K HN 0.535 nan 8.250 nan 0.000 0.815 119 T N 1.873 116.436 114.554 0.015 0.000 2.896 119 T HA -0.030 4.320 4.350 0.000 0.000 0.263 119 T C 0.618 175.331 174.700 0.023 0.000 1.050 119 T CA 1.242 63.352 62.100 0.017 0.000 1.140 119 T CB -0.097 68.781 68.868 0.017 0.000 0.877 119 T HN 0.277 nan 8.240 nan 0.000 0.457 120 E N 1.070 121.285 120.200 0.026 0.000 2.322 120 E HA 0.450 4.800 4.350 0.000 0.000 0.257 120 E C 0.000 176.623 176.600 0.037 0.000 1.155 120 E CA -0.497 55.925 56.400 0.036 0.000 0.936 120 E CB 0.758 30.482 29.700 0.038 0.000 1.130 120 E HN 0.543 nan 8.360 nan 0.000 0.465 121 E N -1.204 119.028 120.200 0.053 0.000 2.445 121 E HA 0.569 4.919 4.350 0.000 0.000 0.279 121 E C -1.093 175.561 176.600 0.090 0.000 1.018 121 E CA -0.980 55.451 56.400 0.052 0.000 0.816 121 E CB 1.113 30.836 29.700 0.039 0.000 1.356 121 E HN 0.372 nan 8.360 nan 0.000 0.462 122 A N 0.900 123.774 122.820 0.089 0.000 2.345 122 A HA 0.220 4.540 4.320 0.000 0.000 0.225 122 A C -0.252 177.409 177.584 0.128 0.000 1.243 122 A CA 0.331 52.460 52.037 0.154 0.000 0.875 122 A CB -0.610 18.494 19.000 0.174 0.000 0.929 122 A HN 0.615 nan 8.150 nan 0.000 0.502 123 E N -0.652 119.605 120.200 0.095 0.000 7.597 123 E HA -0.140 4.210 4.350 0.000 0.000 0.453 123 E C -0.548 176.109 176.600 0.095 0.000 0.390 123 E CA 0.347 56.805 56.400 0.096 0.000 0.710 123 E CB -0.182 29.599 29.700 0.136 0.000 0.966 123 E HN 0.505 nan 8.360 nan 0.000 0.263 124 K N 2.847 123.291 120.400 0.074 0.000 2.278 124 K HA 0.158 4.478 4.320 0.000 0.000 0.289 124 K C -0.440 176.301 176.600 0.234 0.000 1.080 124 K CA 0.562 56.902 56.287 0.089 0.000 0.934 124 K CB 0.224 32.675 32.500 -0.082 0.000 1.093 124 K HN 0.441 nan 8.250 nan 0.000 0.459 125 T N 1.092 115.810 114.554 0.273 0.000 2.906 125 T HA 0.432 4.783 4.350 0.000 0.000 0.295 125 T C -2.757 171.950 174.700 0.012 0.000 1.061 125 T CA -2.225 60.012 62.100 0.228 0.000 1.000 125 T CB 1.882 70.856 68.868 0.176 0.000 1.103 125 T HN 0.302 nan 8.240 nan 0.000 0.486 126 P HA 0.177 nan 4.420 nan 0.000 0.244 126 P C 1.387 178.586 177.300 -0.169 0.000 1.769 126 P CA -0.473 62.373 63.100 -0.423 0.000 1.102 126 P CB 0.019 31.512 31.700 -0.345 0.000 1.937 127 V N 0.140 119.978 119.914 -0.126 0.000 2.809 127 V HA 0.181 4.301 4.120 0.000 0.000 0.256 127 V C 1.003 176.954 176.094 -0.238 0.000 1.080 127 V CA 0.984 63.165 62.300 -0.197 0.000 1.102 127 V CB -1.872 29.802 31.823 -0.248 0.000 0.705 127 V HN 0.642 nan 8.190 nan 0.000 0.475 128 G N -0.662 108.020 108.800 -0.198 0.000 2.758 128 G HA2 0.151 4.111 3.960 0.000 0.000 0.686 128 G HA3 0.151 4.111 3.960 0.000 0.000 0.686 128 G C -0.411 174.340 174.900 -0.249 0.000 1.389 128 G CA 0.025 44.990 45.100 -0.225 0.000 0.845 128 G HN 1.574 nan 8.290 nan 0.000 0.572 129 S N -1.453 114.109 115.700 -0.230 0.000 2.565 129 S HA 0.668 5.138 4.470 0.000 0.000 0.274 129 S C -0.685 173.772 174.600 -0.238 0.000 1.144 129 S CA 0.145 58.175 58.200 -0.283 0.000 0.849 129 S CB 1.192 64.223 63.200 -0.281 0.000 1.103 129 S HN 1.639 nan 8.310 nan 0.000 0.455 130 c N 2.987 121.407 118.600 -0.299 0.000 2.498 130 c HA 0.737 5.307 4.570 0.000 0.000 0.316 130 c C -1.194 172.687 174.090 -0.349 0.000 1.209 130 c CA -0.745 55.469 56.329 -0.191 0.000 1.518 130 c CB 0.328 42.786 42.510 -0.086 0.000 2.147 130 c HN 0.748 nan 8.230 nan 0.000 0.483 131 F N 2.809 122.580 119.950 -0.298 0.000 2.427 131 F HA 0.674 5.201 4.527 0.000 0.000 0.346 131 F C -0.014 175.650 175.800 -0.227 0.000 1.120 131 F CA -0.673 57.108 58.000 -0.365 0.000 1.033 131 F CB 0.787 39.284 39.000 -0.840 0.000 1.126 131 F HN 0.183 nan 8.300 nan 0.000 0.462 132 L N 3.228 124.449 121.223 -0.004 0.000 2.325 132 L HA 0.852 5.192 4.340 0.000 0.000 0.278 132 L C -0.263 176.793 176.870 0.310 0.000 1.023 132 L CA -0.533 54.343 54.840 0.060 0.000 0.811 132 L CB 1.726 43.606 42.059 -0.297 0.000 1.249 132 L HN 0.744 nan 8.230 nan 0.000 0.431 133 A N 2.524 125.598 122.820 0.423 0.000 2.486 133 A HA 0.701 5.021 4.320 0.000 0.000 0.300 133 A C -1.083 176.669 177.584 0.280 0.000 1.048 133 A CA -0.509 51.747 52.037 0.365 0.000 0.696 133 A CB 1.603 20.761 19.000 0.264 0.000 1.278 133 A HN 0.627 nan 8.150 nan 0.000 0.405 134 Q N 2.963 122.871 119.800 0.181 0.000 2.607 134 Q HA 0.347 4.687 4.340 0.000 0.000 0.247 134 Q C -2.140 173.887 176.000 0.045 0.000 1.033 134 Q CA -2.010 53.840 55.803 0.079 0.000 0.769 134 Q CB 1.224 29.935 28.738 -0.046 0.000 1.169 134 Q HN 0.447 nan 8.270 nan 0.000 0.508 135 P HA -0.252 nan 4.420 nan 0.000 0.217 135 P C 0.310 177.626 177.300 0.026 0.000 1.162 135 P CA 1.611 64.721 63.100 0.016 0.000 0.901 135 P CB 0.353 32.072 31.700 0.031 0.000 0.793 136 E N -0.767 119.463 120.200 0.050 0.000 2.150 136 E HA -0.117 4.233 4.350 0.000 0.000 0.193 136 E C 2.047 178.663 176.600 0.027 0.000 0.985 136 E CA 1.598 58.027 56.400 0.047 0.000 0.814 136 E CB -0.303 29.439 29.700 0.071 0.000 0.752 136 E HN 0.367 nan 8.360 nan 0.000 0.466 137 S N -1.222 114.486 115.700 0.013 0.000 2.470 137 S HA 0.155 4.625 4.470 0.000 0.000 0.222 137 S C 1.732 176.338 174.600 0.010 0.000 1.024 137 S CA 0.412 58.615 58.200 0.004 0.000 0.931 137 S CB 0.625 63.814 63.200 -0.018 0.000 0.791 137 S HN 0.340 nan 8.310 nan 0.000 0.513 138 G N 1.545 110.352 108.800 0.012 0.000 2.143 138 G HA2 -0.256 3.704 3.960 0.000 0.000 0.249 138 G HA3 -0.256 3.704 3.960 0.000 0.000 0.249 138 G C 0.094 175.018 174.900 0.041 0.000 0.981 138 G CA -0.022 45.084 45.100 0.011 0.000 0.665 138 G HN 0.581 nan 8.290 nan 0.000 0.528 139 R N 0.083 120.618 120.500 0.059 0.000 2.590 139 R HA 0.539 4.879 4.340 0.000 0.000 0.274 139 R C 0.485 176.929 176.300 0.240 0.000 1.061 139 R CA 0.014 56.190 56.100 0.126 0.000 1.081 139 R CB 0.415 30.752 30.300 0.062 0.000 0.984 139 R HN 0.132 nan 8.270 nan 0.000 0.448 140 R N 0.339 121.002 120.500 0.272 0.000 2.888 140 R HA 0.775 5.115 4.340 0.000 0.000 0.266 140 R C -1.019 175.293 176.300 0.020 0.000 1.020 140 R CA -0.989 55.249 56.100 0.230 0.000 0.963 140 R CB 2.251 32.651 30.300 0.166 0.000 1.197 140 R HN 0.759 nan 8.270 nan 0.000 0.481 141 A N 0.613 123.230 122.820 -0.337 0.000 2.586 141 A HA 0.648 4.968 4.320 0.000 0.000 0.290 141 A C -1.547 175.555 177.584 -0.803 0.000 1.086 141 A CA -0.668 50.785 52.037 -0.973 0.000 0.665 141 A CB 1.873 20.185 19.000 -1.148 0.000 1.279 141 A HN 0.602 nan 8.150 nan 0.000 0.423 142 E N -0.783 118.921 120.200 -0.826 0.000 2.343 142 E HA 0.570 4.920 4.350 0.000 0.000 0.270 142 E C -2.204 174.436 176.600 0.067 0.000 0.895 142 E CA -0.521 55.658 56.400 -0.367 0.000 0.767 142 E CB 2.675 32.201 29.700 -0.291 0.000 1.248 142 E HN 0.555 nan 8.360 nan 0.000 0.440 143 Y N 0.838 121.007 120.300 -0.218 0.000 2.361 143 Y HA 0.430 4.980 4.550 0.000 0.000 0.328 143 Y C -1.273 174.433 175.900 -0.324 0.000 1.044 143 Y CA -0.708 57.266 58.100 -0.211 0.000 1.085 143 Y CB 2.016 40.354 38.460 -0.203 0.000 1.194 143 Y HN 0.388 nan 8.280 nan 0.000 0.438 144 S N 8.371 123.543 115.700 -0.880 0.000 2.413 144 S HA 0.318 4.788 4.470 0.000 0.000 0.170 144 S C -2.495 171.552 174.600 -0.922 0.000 1.294 144 S CA -0.897 56.813 58.200 -0.817 0.000 1.201 144 S CB 0.696 63.536 63.200 -0.599 0.000 1.328 144 S HN 0.580 nan 8.310 nan 0.000 0.418 145 P HA 0.198 nan 4.420 nan 0.000 0.241 145 P C 0.722 177.730 177.300 -0.488 0.000 1.191 145 P CA 0.316 62.978 63.100 -0.731 0.000 0.771 145 P CB -0.228 31.074 31.700 -0.664 0.000 0.929 146 c N -0.226 118.077 118.600 -0.495 0.000 2.754 146 c HA 0.268 4.838 4.570 0.000 0.000 0.276 146 c C 1.200 175.042 174.090 -0.413 0.000 1.264 146 c CA -0.480 55.616 56.329 -0.389 0.000 1.700 146 c CB -1.403 40.886 42.510 -0.368 0.000 1.885 146 c HN 0.160 nan 8.230 nan 0.000 0.607 147 R N 1.403 121.554 120.500 -0.582 0.000 2.316 147 R HA 0.459 4.799 4.340 0.000 0.000 0.314 147 R C 0.554 176.657 176.300 -0.329 0.000 1.069 147 R CA 0.260 55.893 56.100 -0.778 0.000 0.959 147 R CB 0.557 30.079 30.300 -1.298 0.000 0.987 147 R HN 0.507 nan 8.270 nan 0.000 0.446 148 G N 0.916 109.701 108.800 -0.024 0.000 2.788 148 G HA2 0.194 4.154 3.960 0.000 0.000 0.293 148 G HA3 0.194 4.154 3.960 0.000 0.000 0.293 148 G C -0.310 174.784 174.900 0.322 0.000 1.305 148 G CA -0.675 44.515 45.100 0.150 0.000 1.005 148 G HN 0.690 nan 8.290 nan 0.000 0.496 149 N N -0.841 118.002 118.700 0.239 0.000 2.451 149 N HA 0.139 4.879 4.740 0.000 0.000 0.271 149 N C -0.353 175.243 175.510 0.145 0.000 1.410 149 N CA -0.342 52.838 53.050 0.218 0.000 0.884 149 N CB 0.692 39.286 38.487 0.179 0.000 1.332 149 N HN 0.213 nan 8.380 nan 0.000 0.498 150 T N 1.360 116.007 114.554 0.156 0.000 2.845 150 T HA 0.409 4.759 4.350 0.000 0.000 0.288 150 T C 0.693 175.480 174.700 0.145 0.000 0.980 150 T CA -0.474 61.654 62.100 0.047 0.000 1.071 150 T CB 1.366 70.126 68.868 -0.180 0.000 0.941 150 T HN 0.103 nan 8.240 nan 0.000 0.487 151 L N 1.672 122.936 121.223 0.069 0.000 2.472 151 L HA 0.220 4.560 4.340 0.000 0.000 0.260 151 L C 2.113 179.114 176.870 0.220 0.000 1.209 151 L CA -0.318 54.597 54.840 0.125 0.000 0.817 151 L CB 0.361 42.458 42.059 0.064 0.000 1.106 151 L HN 0.695 nan 8.230 nan 0.000 0.479 152 S N 0.286 116.129 115.700 0.239 0.000 2.399 152 S HA -0.172 4.298 4.470 0.000 0.000 0.231 152 S C 1.994 176.733 174.600 0.232 0.000 1.022 152 S CA 1.364 59.747 58.200 0.306 0.000 0.983 152 S CB -0.186 63.141 63.200 0.211 0.000 0.803 152 S HN 0.655 nan 8.310 nan 0.000 0.480 153 R N 0.337 120.909 120.500 0.120 0.000 2.096 153 R HA 0.024 4.364 4.340 0.000 0.000 0.235 153 R C 2.161 178.460 176.300 -0.001 0.000 1.127 153 R CA 1.755 57.887 56.100 0.052 0.000 0.968 153 R CB -0.364 29.953 30.300 0.028 0.000 0.861 153 R HN 0.512 nan 8.270 nan 0.000 0.440 154 I N -0.029 120.513 120.570 -0.047 0.000 2.315 154 I HA -0.252 3.918 4.170 0.000 0.000 0.248 154 I C 1.589 177.590 176.117 -0.193 0.000 1.117 154 I CA 1.073 62.281 61.300 -0.153 0.000 1.404 154 I CB -0.282 37.571 38.000 -0.244 0.000 1.071 154 I HN 0.205 nan 8.210 nan 0.000 0.419 155 Y N 0.303 120.572 120.300 -0.053 0.000 2.181 155 Y HA -0.189 4.361 4.550 0.000 0.000 0.288 155 Y C 2.584 178.215 175.900 -0.449 0.000 1.146 155 Y CA 1.173 59.203 58.100 -0.116 0.000 1.164 155 Y CB -0.958 37.534 38.460 0.054 0.000 0.982 155 Y HN -0.112 nan 8.280 nan 0.000 0.515 156 V N 0.172 119.905 119.914 -0.302 0.000 2.343 156 V HA -0.279 3.841 4.120 0.000 0.000 0.247 156 V C 1.912 177.811 176.094 -0.326 0.000 1.051 156 V CA 2.081 64.066 62.300 -0.525 0.000 1.036 156 V CB -0.561 31.152 31.823 -0.183 0.000 0.654 156 V HN 0.432 nan 8.190 nan 0.000 0.451 157 E N 0.385 120.477 120.200 -0.179 0.000 2.204 157 E HA -0.141 4.209 4.350 0.000 0.000 0.194 157 E C 0.945 177.478 176.600 -0.113 0.000 0.989 157 E CA 1.011 57.340 56.400 -0.117 0.000 0.824 157 E CB -0.104 29.548 29.700 -0.080 0.000 0.756 157 E HN 0.566 nan 8.360 nan 0.000 0.477 158 N N 0.977 119.597 118.700 -0.133 0.000 2.321 158 N HA 0.014 4.754 4.740 0.000 0.000 0.242 158 N C -1.004 174.459 175.510 -0.079 0.000 1.141 158 N CA 0.095 53.101 53.050 -0.073 0.000 0.864 158 N CB 0.620 39.091 38.487 -0.026 0.000 1.100 158 N HN -0.042 nan 8.380 nan 0.000 0.510 159 D N 0.632 120.921 120.400 -0.185 0.000 2.708 159 D HA -0.240 4.400 4.640 0.000 0.000 0.236 159 D C -0.569 175.741 176.300 0.016 0.000 1.146 159 D CA 0.490 54.410 54.000 -0.134 0.000 0.662 159 D CB -1.460 39.330 40.800 -0.018 0.000 1.059 159 D HN 0.364 nan 8.370 nan 0.000 0.428 160 F N -1.788 118.216 119.950 0.090 0.000 3.067 160 F HA -0.279 4.248 4.527 0.000 0.000 0.279 160 F C 1.087 176.969 175.800 0.136 0.000 0.945 160 F CA 0.786 58.884 58.000 0.164 0.000 0.948 160 F CB -2.174 36.833 39.000 0.013 0.000 0.898 160 F HN 0.048 nan 8.300 nan 0.000 0.746 161 S N -0.869 114.972 115.700 0.236 0.000 2.545 161 S HA 0.405 4.875 4.470 0.000 0.000 0.275 161 S C -0.065 174.734 174.600 0.331 0.000 1.299 161 S CA -0.111 58.174 58.200 0.141 0.000 1.048 161 S CB 0.308 63.596 63.200 0.146 0.000 0.938 161 S HN 0.424 nan 8.310 nan 0.000 0.496 162 W N 1.808 123.170 121.300 0.102 0.000 6.111 162 W HA -0.170 4.490 4.660 0.000 0.000 0.409 162 W C -0.223 176.523 176.519 0.378 0.000 1.586 162 W CA 0.383 57.843 57.345 0.192 0.000 1.027 162 W CB -1.622 27.899 29.460 0.102 0.000 2.784 162 W HN 0.620 nan 8.180 nan 0.000 1.485 163 D N 0.967 121.670 120.400 0.504 0.000 2.428 163 D HA 0.213 4.853 4.640 0.000 0.000 0.221 163 D C 0.824 177.110 176.300 -0.024 0.000 1.123 163 D CA -0.190 53.958 54.000 0.246 0.000 0.869 163 D CB 0.651 41.582 40.800 0.217 0.000 1.032 163 D HN 0.248 nan 8.370 nan 0.000 0.506 164 K N 2.566 122.905 120.400 -0.102 0.000 2.410 164 K HA 0.170 4.490 4.320 0.000 0.000 0.200 164 K C 1.602 177.936 176.600 -0.443 0.000 1.023 164 K CA -0.206 55.910 56.287 -0.286 0.000 1.149 164 K CB 0.795 33.175 32.500 -0.201 0.000 0.859 164 K HN 0.220 nan 8.250 nan 0.000 0.514 165 R N 0.028 120.101 120.500 -0.711 0.000 2.152 165 R HA -0.118 4.222 4.340 0.000 0.000 0.232 165 R C 0.594 176.462 176.300 -0.720 0.000 1.117 165 R CA 1.316 56.943 56.100 -0.789 0.000 0.981 165 R CB -0.001 29.658 30.300 -1.069 0.000 0.870 165 R HN 0.290 nan 8.270 nan 0.000 0.451 166 Y N -2.505 117.592 120.300 -0.339 0.000 2.636 166 Y HA 0.187 4.737 4.550 0.000 0.000 0.260 166 Y C 1.763 177.467 175.900 -0.327 0.000 1.177 166 Y CA -1.340 56.538 58.100 -0.368 0.000 1.209 166 Y CB -0.834 37.222 38.460 -0.673 0.000 1.166 166 Y HN -0.050 nan 8.280 nan 0.000 0.531 167 c N 0.845 119.286 118.600 -0.265 0.000 2.336 167 c HA -0.323 4.247 4.570 0.000 0.000 0.272 167 c C 1.381 175.360 174.090 -0.185 0.000 1.160 167 c CA 2.132 58.312 56.329 -0.249 0.000 1.783 167 c CB -0.872 41.462 42.510 -0.292 0.000 2.050 167 c HN 0.721 nan 8.230 nan 0.000 0.443 168 E N -0.714 119.380 120.200 -0.178 0.000 2.230 168 E HA -0.214 4.136 4.350 0.000 0.000 0.206 168 E C 0.024 176.501 176.600 -0.205 0.000 1.309 168 E CA 0.002 56.285 56.400 -0.194 0.000 0.697 168 E CB -1.236 28.391 29.700 -0.122 0.000 1.146 168 E HN 0.779 nan 8.360 nan 0.000 0.363 169 A N 0.336 123.015 122.820 -0.234 0.000 2.488 169 A HA 0.477 4.797 4.320 0.000 0.000 0.249 169 A C 1.603 179.061 177.584 -0.209 0.000 1.083 169 A CA 0.870 52.773 52.037 -0.222 0.000 0.768 169 A CB 0.419 19.250 19.000 -0.281 0.000 1.017 169 A HN 1.037 nan 8.150 nan 0.000 0.496 170 G N 1.131 109.838 108.800 -0.155 0.000 2.201 170 G HA2 -0.274 3.686 3.960 0.000 0.000 0.212 170 G HA3 -0.274 3.686 3.960 0.000 0.000 0.212 170 G C 0.813 175.616 174.900 -0.160 0.000 0.994 170 G CA 0.636 45.645 45.100 -0.153 0.000 0.644 170 G HN 1.079 nan 8.290 nan 0.000 0.508 171 F N 2.797 122.553 119.950 -0.323 0.000 2.063 171 F HA -0.006 4.521 4.527 0.000 0.000 0.298 171 F C 1.838 177.498 175.800 -0.234 0.000 1.105 171 F CA 2.739 60.537 58.000 -0.337 0.000 1.215 171 F CB -0.078 38.721 39.000 -0.335 0.000 0.972 171 F HN 0.614 nan 8.300 nan 0.000 0.483 172 S N -0.949 114.793 115.700 0.072 0.000 2.600 172 S HA 0.710 5.180 4.470 0.000 0.000 0.300 172 S C -0.561 174.005 174.600 -0.057 0.000 1.087 172 S CA -0.066 58.127 58.200 -0.012 0.000 0.965 172 S CB 2.005 65.220 63.200 0.025 0.000 1.089 172 S HN 0.492 nan 8.310 nan 0.000 0.496 173 S N 0.002 115.662 115.700 -0.066 0.000 2.550 173 S HA 0.846 5.316 4.470 0.000 0.000 0.270 173 S C -1.179 173.386 174.600 -0.058 0.000 1.145 173 S CA -0.666 57.493 58.200 -0.068 0.000 0.852 173 S CB 1.209 64.374 63.200 -0.058 0.000 1.119 173 S HN 1.985 nan 8.310 nan 0.000 0.465 174 V N 0.924 120.799 119.914 -0.065 0.000 3.167 174 V HA 0.738 4.858 4.120 0.000 0.000 0.293 174 V C -1.902 174.155 176.094 -0.060 0.000 1.379 174 V CA -0.450 61.823 62.300 -0.044 0.000 1.019 174 V CB 1.963 33.757 31.823 -0.049 0.000 1.115 174 V HN 1.135 nan 8.190 nan 0.000 0.442 175 V N 4.076 123.972 119.914 -0.031 0.000 2.604 175 V HA 0.629 4.749 4.120 0.000 0.000 0.305 175 V C 0.413 176.465 176.094 -0.070 0.000 1.043 175 V CA 0.010 62.252 62.300 -0.097 0.000 0.888 175 V CB 2.191 33.957 31.823 -0.095 0.000 0.995 175 V HN 1.124 nan 8.190 nan 0.000 0.429 176 T N 1.095 115.570 114.554 -0.132 0.000 2.788 176 T HA 0.181 4.531 4.350 0.000 0.000 0.287 176 T C 0.859 175.546 174.700 -0.022 0.000 1.007 176 T CA -0.274 61.797 62.100 -0.048 0.000 1.005 176 T CB 0.887 69.732 68.868 -0.039 0.000 1.012 176 T HN 0.648 nan 8.240 nan 0.000 0.530 177 Q N 0.440 120.302 119.800 0.104 0.000 2.224 177 Q HA -0.036 4.304 4.340 0.000 0.000 0.203 177 Q C 2.483 178.646 176.000 0.272 0.000 0.970 177 Q CA 1.227 57.178 55.803 0.246 0.000 0.865 177 Q CB -0.396 28.444 28.738 0.169 0.000 0.922 177 Q HN 0.912 nan 8.270 nan 0.000 0.445 178 A N 0.348 123.222 122.820 0.089 0.000 2.168 178 A HA 0.187 4.507 4.320 0.000 0.000 0.215 178 A C 1.384 178.919 177.584 -0.081 0.000 1.152 178 A CA 1.016 53.087 52.037 0.056 0.000 0.716 178 A CB -0.173 18.829 19.000 0.003 0.000 0.794 178 A HN 0.444 nan 8.150 nan 0.000 0.465 179 G N -0.473 108.055 108.800 -0.454 0.000 2.215 179 G HA2 -0.130 3.830 3.960 0.000 0.000 0.198 179 G HA3 -0.130 3.830 3.960 0.000 0.000 0.198 179 G C -0.518 173.920 174.900 -0.769 0.000 1.047 179 G CA 0.017 44.333 45.100 -1.307 0.000 0.747 179 G HN 0.553 nan 8.290 nan 0.000 0.495 180 E N -0.081 119.830 120.200 -0.482 0.000 2.102 180 E HA 0.471 4.821 4.350 0.000 0.000 0.263 180 E C 0.010 176.450 176.600 -0.267 0.000 0.894 180 E CA -0.981 55.245 56.400 -0.291 0.000 0.746 180 E CB 1.931 31.545 29.700 -0.142 0.000 1.129 180 E HN 0.240 nan 8.360 nan 0.000 0.416 181 L N 4.495 125.553 121.223 -0.275 0.000 2.433 181 L HA 0.140 4.480 4.340 0.000 0.000 0.275 181 L C -1.025 175.742 176.870 -0.171 0.000 1.128 181 L CA -0.073 54.638 54.840 -0.216 0.000 0.875 181 L CB 0.662 42.587 42.059 -0.225 0.000 1.171 181 L HN 0.271 nan 8.230 nan 0.000 0.463 182 V N 7.320 127.134 119.914 -0.166 0.000 2.328 182 V HA 0.361 4.481 4.120 0.000 0.000 0.278 182 V C 0.200 176.205 176.094 -0.149 0.000 1.021 182 V CA -0.571 61.608 62.300 -0.203 0.000 0.838 182 V CB 1.116 32.724 31.823 -0.359 0.000 0.999 182 V HN 0.589 nan 8.190 nan 0.000 0.447 183 L N 4.294 125.457 121.223 -0.100 0.000 2.295 183 L HA 0.681 5.021 4.340 0.000 0.000 0.285 183 L C 0.902 177.699 176.870 -0.122 0.000 1.035 183 L CA -0.335 54.451 54.840 -0.090 0.000 0.806 183 L CB 1.530 43.556 42.059 -0.055 0.000 1.214 183 L HN 0.721 nan 8.230 nan 0.000 0.426 184 G N 1.910 110.639 108.800 -0.118 0.000 2.338 184 G HA2 0.571 4.531 3.960 0.000 0.000 0.298 184 G HA3 0.571 4.531 3.960 0.000 0.000 0.298 184 G C -0.512 174.324 174.900 -0.107 0.000 1.140 184 G CA -0.273 44.751 45.100 -0.127 0.000 0.860 184 G HN 0.721 nan 8.290 nan 0.000 0.470 185 A N 4.842 127.588 122.820 -0.124 0.000 2.763 185 A HA 0.674 4.994 4.320 0.000 0.000 0.325 185 A C -1.492 176.021 177.584 -0.119 0.000 1.209 185 A CA -1.264 50.685 52.037 -0.148 0.000 0.764 185 A CB 1.725 20.613 19.000 -0.187 0.000 1.120 185 A HN 0.449 nan 8.150 nan 0.000 0.463 186 P HA -0.058 nan 4.420 nan 0.000 0.226 186 P C 1.300 178.672 177.300 0.119 0.000 1.153 186 P CA 1.554 64.629 63.100 -0.042 0.000 0.777 186 P CB 0.237 31.745 31.700 -0.321 0.000 0.794 187 G N -0.185 108.614 108.800 -0.003 0.000 2.985 187 G HA2 0.141 4.101 3.960 0.000 0.000 0.209 187 G HA3 0.141 4.101 3.960 0.000 0.000 0.209 187 G C 0.893 175.681 174.900 -0.185 0.000 1.165 187 G CA 0.138 45.248 45.100 0.015 0.000 0.776 187 G HN 0.402 nan 8.290 nan 0.000 0.541 188 G N -1.019 107.682 108.800 -0.165 0.000 2.614 188 G HA2 0.295 4.255 3.960 0.000 0.000 0.239 188 G HA3 0.295 4.255 3.960 0.000 0.000 0.239 188 G C 0.028 174.822 174.900 -0.177 0.000 1.240 188 G CA -0.432 44.477 45.100 -0.318 0.000 0.842 188 G HN 0.364 nan 8.290 nan 0.000 0.584 189 Y N -1.389 118.873 120.300 -0.064 0.000 3.037 189 Y HA -0.233 4.317 4.550 0.000 0.000 0.204 189 Y C 0.739 176.687 175.900 0.081 0.000 1.275 189 Y CA 0.801 58.891 58.100 -0.016 0.000 1.066 189 Y CB -2.784 35.627 38.460 -0.081 0.000 1.305 189 Y HN 0.819 nan 8.280 nan 0.000 0.499 190 Y N -1.206 119.103 120.300 0.015 0.000 3.125 190 Y HA -0.234 4.316 4.550 0.000 0.000 0.200 190 Y C 0.705 176.626 175.900 0.035 0.000 1.373 190 Y CA 0.851 58.933 58.100 -0.031 0.000 1.180 190 Y CB -1.727 36.760 38.460 0.045 0.000 1.381 190 Y HN 0.429 nan 8.280 nan 0.000 0.501 191 F N -2.830 117.244 119.950 0.207 0.000 2.988 191 F HA -0.387 4.140 4.527 0.000 0.000 0.287 191 F C 1.251 177.170 175.800 0.198 0.000 0.781 191 F CA 0.822 58.950 58.000 0.213 0.000 1.221 191 F CB -2.024 37.089 39.000 0.188 0.000 1.392 191 F HN 0.335 nan 8.300 nan 0.000 0.425 192 L N 0.303 121.712 121.223 0.311 0.000 2.127 192 L HA 0.511 4.851 4.340 0.000 0.000 0.203 192 L C 1.431 178.503 176.870 0.337 0.000 1.080 192 L CA 1.864 56.886 54.840 0.304 0.000 0.768 192 L CB -0.125 42.103 42.059 0.281 0.000 0.924 192 L HN 0.603 nan 8.230 nan 0.000 0.444 193 G N -0.420 108.549 108.800 0.281 0.000 2.770 193 G HA2 0.201 4.161 3.960 0.000 0.000 0.686 193 G HA3 0.201 4.161 3.960 0.000 0.000 0.686 193 G C -1.410 173.696 174.900 0.343 0.000 1.180 193 G CA -0.356 44.932 45.100 0.313 0.000 0.767 193 G HN 0.649 nan 8.290 nan 0.000 0.646 194 L N -0.584 120.766 121.223 0.210 0.000 2.479 194 L HA 0.992 5.332 4.340 0.000 0.000 0.255 194 L C -0.810 176.127 176.870 0.111 0.000 1.026 194 L CA -1.386 53.563 54.840 0.182 0.000 0.842 194 L CB 1.755 43.612 42.059 -0.337 0.000 1.444 194 L HN 0.675 nan 8.230 nan 0.000 0.409 195 L N 1.523 122.805 121.223 0.099 0.000 2.346 195 L HA 0.955 5.295 4.340 0.000 0.000 0.274 195 L C -0.316 176.496 176.870 -0.096 0.000 1.007 195 L CA -0.691 54.126 54.840 -0.038 0.000 0.818 195 L CB 2.016 44.098 42.059 0.038 0.000 1.284 195 L HN 0.976 nan 8.230 nan 0.000 0.424 196 A N 3.391 126.174 122.820 -0.062 0.000 2.319 196 A HA 0.638 4.958 4.320 0.000 0.000 0.310 196 A C -1.094 176.528 177.584 0.063 0.000 1.152 196 A CA -0.466 51.568 52.037 -0.006 0.000 0.783 196 A CB 1.505 20.468 19.000 -0.061 0.000 1.184 196 A HN 0.568 nan 8.150 nan 0.000 0.474 197 Q N 1.515 121.384 119.800 0.115 0.000 2.365 197 Q HA 0.791 5.131 4.340 0.000 0.000 0.269 197 Q C -1.288 174.724 176.000 0.020 0.000 1.061 197 Q CA -0.444 55.385 55.803 0.043 0.000 0.816 197 Q CB 2.167 30.941 28.738 0.060 0.000 1.325 197 Q HN 1.388 nan 8.270 nan 0.000 0.446 198 A N 4.057 126.805 122.820 -0.121 0.000 2.594 198 A HA 0.633 4.953 4.320 0.000 0.000 0.296 198 A C -2.854 174.587 177.584 -0.237 0.000 1.061 198 A CA -1.113 50.811 52.037 -0.188 0.000 0.689 198 A CB 1.622 20.405 19.000 -0.362 0.000 1.280 198 A HN 0.536 nan 8.150 nan 0.000 0.406 199 P HA 0.280 nan 4.420 nan 0.000 0.271 199 P C 1.042 178.238 177.300 -0.174 0.000 1.216 199 P CA -0.169 62.827 63.100 -0.174 0.000 0.771 199 P CB 0.927 32.573 31.700 -0.091 0.000 0.864 200 V N 3.236 123.030 119.914 -0.200 0.000 2.332 200 V HA -0.302 3.818 4.120 0.000 0.000 0.248 200 V C 2.397 178.597 176.094 0.177 0.000 1.055 200 V CA 2.761 65.034 62.300 -0.046 0.000 1.038 200 V CB -1.569 30.251 31.823 -0.005 0.000 0.651 200 V HN 0.666 nan 8.190 nan 0.000 0.450 201 A N 0.017 122.925 122.820 0.147 0.000 1.948 201 A HA -0.290 4.030 4.320 0.000 0.000 0.220 201 A C 1.932 179.624 177.584 0.180 0.000 1.177 201 A CA 2.285 54.440 52.037 0.197 0.000 0.636 201 A CB -0.622 18.456 19.000 0.130 0.000 0.815 201 A HN 0.574 nan 8.150 nan 0.000 0.449 202 D N -0.334 120.124 120.400 0.097 0.000 2.234 202 D HA -0.016 4.624 4.640 0.000 0.000 0.205 202 D C 1.789 178.153 176.300 0.106 0.000 0.962 202 D CA 0.719 54.773 54.000 0.090 0.000 0.855 202 D CB -0.287 40.541 40.800 0.047 0.000 0.951 202 D HN 0.550 nan 8.370 nan 0.000 0.500 203 I N -0.147 120.444 120.570 0.035 0.000 2.252 203 I HA -0.232 3.938 4.170 0.000 0.000 0.245 203 I C 1.906 178.046 176.117 0.038 0.000 1.102 203 I CA 0.776 62.072 61.300 -0.008 0.000 1.385 203 I CB -0.162 37.682 38.000 -0.259 0.000 1.064 203 I HN -0.111 nan 8.210 nan 0.000 0.414 204 F N 1.208 121.207 119.950 0.081 0.000 2.113 204 F HA -0.214 4.313 4.527 0.000 0.000 0.297 204 F C 2.995 178.866 175.800 0.118 0.000 1.103 204 F CA 1.810 59.867 58.000 0.096 0.000 1.248 204 F CB -0.703 38.343 39.000 0.076 0.000 0.999 204 F HN 0.087 nan 8.300 nan 0.000 0.475 205 S N -1.838 114.032 115.700 0.283 0.000 2.402 205 S HA -0.177 4.293 4.470 0.000 0.000 0.229 205 S C 2.066 176.742 174.600 0.127 0.000 1.021 205 S CA 1.187 59.492 58.200 0.176 0.000 0.974 205 S CB -0.813 62.469 63.200 0.136 0.000 0.800 205 S HN 0.271 nan 8.310 nan 0.000 0.484 206 S N -0.118 115.675 115.700 0.154 0.000 2.489 206 S HA 0.101 4.571 4.470 0.000 0.000 0.228 206 S C 0.357 174.921 174.600 -0.060 0.000 0.995 206 S CA -0.429 57.852 58.200 0.135 0.000 0.934 206 S CB -0.587 62.804 63.200 0.319 0.000 0.771 206 S HN 0.630 nan 8.310 nan 0.000 0.522 207 Y N 3.375 123.570 120.300 -0.174 0.000 2.511 207 Y HA 0.442 4.992 4.550 0.000 0.000 0.332 207 Y C -0.026 175.620 175.900 -0.423 0.000 1.177 207 Y CA -0.264 57.571 58.100 -0.443 0.000 1.422 207 Y CB 0.383 38.701 38.460 -0.236 0.000 1.271 207 Y HN 0.034 nan 8.280 nan 0.000 0.550 208 R N 6.868 126.559 120.500 -1.347 0.000 2.518 208 R HA 0.297 4.637 4.340 0.000 0.000 0.296 208 R C -3.007 172.617 176.300 -1.127 0.000 1.080 208 R CA -2.274 53.233 56.100 -0.987 0.000 0.922 208 R CB 1.252 31.193 30.300 -0.598 0.000 1.184 208 R HN 0.526 nan 8.270 nan 0.000 0.445 209 P HA 0.092 nan 4.420 nan 0.000 0.264 209 P C 0.862 177.991 177.300 -0.284 0.000 1.193 209 P CA 0.883 63.694 63.100 -0.482 0.000 0.763 209 P CB 0.631 32.210 31.700 -0.203 0.000 0.810 210 G N 2.688 111.383 108.800 -0.175 0.000 2.195 210 G HA2 -0.182 3.778 3.960 0.000 0.000 0.246 210 G HA3 -0.182 3.778 3.960 0.000 0.000 0.246 210 G C -0.002 174.843 174.900 -0.092 0.000 0.984 210 G CA -0.481 44.560 45.100 -0.098 0.000 0.633 210 G HN 0.480 nan 8.290 nan 0.000 0.525 211 I N 2.020 122.487 120.570 -0.171 0.000 2.371 211 I HA 0.402 4.572 4.170 0.000 0.000 0.282 211 I C 1.554 177.685 176.117 0.024 0.000 1.031 211 I CA -0.632 60.608 61.300 -0.100 0.000 1.180 211 I CB 0.762 38.640 38.000 -0.204 0.000 1.336 211 I HN 0.027 nan 8.210 nan 0.000 0.467 212 L N 5.165 126.493 121.223 0.174 0.000 2.095 212 L HA 0.056 4.396 4.340 0.000 0.000 0.204 212 L C 0.777 177.844 176.870 0.328 0.000 1.080 212 L CA 0.942 55.965 54.840 0.305 0.000 0.759 212 L CB -0.043 42.262 42.059 0.409 0.000 0.914 212 L HN 0.359 nan 8.230 nan 0.000 0.439 213 L N 0.751 122.135 121.223 0.269 0.000 2.262 213 L HA 0.348 4.688 4.340 0.000 0.000 0.288 213 L C -0.793 176.151 176.870 0.124 0.000 1.035 213 L CA -0.199 54.691 54.840 0.083 0.000 0.820 213 L CB 0.699 42.826 42.059 0.113 0.000 1.204 213 L HN 0.177 nan 8.230 nan 0.000 0.424 214 W N 4.094 125.190 121.300 -0.339 0.000 2.959 214 W HA 0.590 5.250 4.660 0.000 0.000 0.358 214 W C -1.741 174.492 176.519 -0.476 0.000 1.228 214 W CA -0.721 56.392 57.345 -0.387 0.000 1.183 214 W CB 0.893 30.250 29.460 -0.171 0.000 1.467 214 W HN 0.374 nan 8.180 nan 0.000 0.578 215 H N 0.743 119.787 119.070 -0.044 0.000 2.538 215 H HA 0.450 5.006 4.556 0.000 0.000 0.353 215 H C -0.616 174.737 175.328 0.042 0.000 1.109 215 H CA -0.977 54.981 56.048 -0.151 0.000 1.192 215 H CB 2.260 31.990 29.762 -0.053 0.000 1.555 215 H HN 0.395 nan 8.280 nan 0.000 0.518 216 V N 3.303 123.291 119.914 0.123 0.000 2.112 216 V HA -0.057 4.063 4.120 0.000 0.000 0.271 216 V C 1.526 177.703 176.094 0.139 0.000 1.465 216 V CA 0.443 62.861 62.300 0.197 0.000 1.419 216 V CB -0.878 31.060 31.823 0.191 0.000 1.409 216 V HN 1.015 nan 8.190 nan 0.000 0.495 217 S N 2.670 118.454 115.700 0.141 0.000 2.614 217 S HA -0.437 4.033 4.470 0.000 0.000 0.365 217 S C 1.828 176.469 174.600 0.068 0.000 1.312 217 S CA 2.391 60.646 58.200 0.093 0.000 1.416 217 S CB -1.456 61.798 63.200 0.090 0.000 1.399 217 S HN 1.241 nan 8.310 nan 0.000 0.473 218 S N 3.284 119.025 115.700 0.068 0.000 2.660 218 S HA 0.137 4.607 4.470 0.000 0.000 0.223 218 S C 0.710 175.343 174.600 0.054 0.000 0.963 218 S CA 0.163 58.396 58.200 0.055 0.000 0.932 218 S CB -0.759 62.467 63.200 0.044 0.000 0.775 218 S HN 0.990 nan 8.310 nan 0.000 0.531 219 Q N 1.313 121.150 119.800 0.063 0.000 2.396 219 Q HA 0.565 4.905 4.340 0.000 0.000 0.221 219 Q C -0.568 175.489 176.000 0.095 0.000 1.025 219 Q CA -0.585 55.265 55.803 0.077 0.000 0.946 219 Q CB 0.737 29.547 28.738 0.119 0.000 1.224 219 Q HN 0.339 nan 8.270 nan 0.000 0.539 220 S N 0.653 116.432 115.700 0.132 0.000 2.566 220 S HA 0.611 5.081 4.470 0.000 0.000 0.273 220 S C -1.318 173.392 174.600 0.184 0.000 1.157 220 S CA -0.927 57.382 58.200 0.181 0.000 0.938 220 S CB 1.047 64.417 63.200 0.284 0.000 1.087 220 S HN 0.466 nan 8.310 nan 0.000 0.474 221 L N 2.543 123.763 121.223 -0.005 0.000 2.303 221 L HA 0.770 5.110 4.340 0.000 0.000 0.266 221 L C 0.915 177.323 176.870 -0.770 0.000 1.011 221 L CA -0.365 54.326 54.840 -0.248 0.000 0.818 221 L CB 1.949 43.923 42.059 -0.141 0.000 1.326 221 L HN 1.016 nan 8.230 nan 0.000 0.435 222 S N -0.361 114.752 115.700 -0.978 0.000 2.641 222 S HA 0.621 5.091 4.470 0.000 0.000 0.261 222 S C -0.348 173.890 174.600 -0.603 0.000 1.257 222 S CA -0.390 57.138 58.200 -1.121 0.000 0.983 222 S CB 0.313 63.184 63.200 -0.547 0.000 0.990 222 S HN 0.190 nan 8.310 nan 0.000 0.572 223 F N -0.267 119.658 119.950 -0.043 0.000 2.541 223 F HA 0.537 5.064 4.527 0.000 0.000 0.331 223 F C 0.815 176.252 175.800 -0.606 0.000 1.057 223 F CA -1.167 56.778 58.000 -0.091 0.000 0.975 223 F CB 0.615 39.593 39.000 -0.037 0.000 1.246 223 F HN 0.533 nan 8.300 nan 0.000 0.484 224 D N -0.224 119.450 120.400 -1.210 0.000 2.423 224 D HA 0.456 5.096 4.640 0.000 0.000 0.255 224 D C -0.832 175.021 176.300 -0.744 0.000 1.174 224 D CA 0.203 53.358 54.000 -1.408 0.000 1.008 224 D CB 1.709 41.206 40.800 -2.171 0.000 1.101 224 D HN 0.439 nan 8.370 nan 0.000 0.516 225 S N -1.533 113.862 115.700 -0.508 0.000 2.570 225 S HA 0.356 4.826 4.470 0.000 0.000 0.270 225 S C -0.142 174.419 174.600 -0.066 0.000 1.149 225 S CA -0.266 57.758 58.200 -0.292 0.000 0.837 225 S CB 0.994 63.989 63.200 -0.342 0.000 1.124 225 S HN 0.364 nan 8.310 nan 0.000 0.465 226 S N 1.930 117.617 115.700 -0.021 0.000 2.554 226 S HA 0.249 4.719 4.470 0.000 0.000 0.226 226 S C 0.136 174.759 174.600 0.037 0.000 0.980 226 S CA -0.339 57.937 58.200 0.127 0.000 0.939 226 S CB -0.383 62.847 63.200 0.050 0.000 0.832 226 S HN 0.578 nan 8.310 nan 0.000 0.486 227 N N 3.207 121.832 118.700 -0.125 0.000 2.430 227 N HA 0.323 5.063 4.740 0.000 0.000 0.265 227 N C -2.008 172.993 175.510 -0.848 0.000 1.100 227 N CA -2.072 50.825 53.050 -0.254 0.000 0.961 227 N CB 1.343 39.826 38.487 -0.005 0.000 1.075 227 N HN -0.044 nan 8.380 nan 0.000 0.478 228 P HA -0.115 nan 4.420 nan 0.000 0.219 228 P C 0.573 177.143 177.300 -1.217 0.000 1.146 228 P CA 1.227 63.572 63.100 -1.258 0.000 0.808 228 P CB 0.313 31.828 31.700 -0.309 0.000 0.779 229 E N -1.626 118.060 120.200 -0.857 0.000 2.130 229 E HA -0.216 4.135 4.350 0.000 0.000 0.196 229 E C 1.428 177.312 176.600 -1.195 0.000 0.998 229 E CA 1.198 56.923 56.400 -1.125 0.000 0.806 229 E CB -0.506 28.715 29.700 -0.798 0.000 0.738 229 E HN 0.435 nan 8.360 nan 0.000 0.459 230 Y N -0.847 119.099 120.300 -0.590 0.000 2.523 230 Y HA 0.022 4.572 4.550 0.000 0.000 0.279 230 Y C 0.372 176.221 175.900 -0.084 0.000 1.139 230 Y CA -0.365 57.638 58.100 -0.161 0.000 1.296 230 Y CB 0.304 38.761 38.460 -0.005 0.000 1.045 230 Y HN -0.120 nan 8.280 nan 0.000 0.538 231 F N 2.046 121.877 119.950 -0.198 0.000 2.578 231 F HA 0.008 4.535 4.527 0.000 0.000 0.376 231 F C 0.912 176.559 175.800 -0.256 0.000 1.085 231 F CA -0.510 57.385 58.000 -0.175 0.000 1.260 231 F CB -0.268 38.606 39.000 -0.210 0.000 1.095 231 F HN 0.221 nan 8.300 nan 0.000 0.573 232 D N 1.302 121.722 120.400 0.033 0.000 2.772 232 D HA -0.172 4.468 4.640 0.000 0.000 0.233 232 D C 1.367 177.338 176.300 -0.548 0.000 1.143 232 D CA 0.957 54.799 54.000 -0.264 0.000 0.700 232 D CB -1.166 39.492 40.800 -0.236 0.000 1.076 232 D HN 0.854 nan 8.370 nan 0.000 0.430 233 G N -0.655 108.004 108.800 -0.233 0.000 2.838 233 G HA2 -0.009 3.951 3.960 0.000 0.000 0.210 233 G HA3 -0.009 3.951 3.960 0.000 0.000 0.210 233 G C 0.448 175.376 174.900 0.047 0.000 1.153 233 G CA -0.131 44.924 45.100 -0.074 0.000 0.778 233 G HN 0.324 nan 8.290 nan 0.000 0.539 234 Y N -2.371 118.087 120.300 0.264 0.000 3.305 234 Y HA -0.167 4.383 4.550 0.000 0.000 0.212 234 Y C 0.520 176.574 175.900 0.256 0.000 1.248 234 Y CA -0.675 57.566 58.100 0.234 0.000 1.359 234 Y CB -2.572 36.037 38.460 0.249 0.000 1.407 234 Y HN 0.431 nan 8.280 nan 0.000 0.572 235 W N 1.863 123.300 121.300 0.227 0.000 2.505 235 W HA 0.389 5.049 4.660 0.000 0.000 0.332 235 W C 1.176 177.755 176.519 0.099 0.000 1.434 235 W CA 1.888 59.334 57.345 0.168 0.000 1.320 235 W CB 0.189 29.766 29.460 0.195 0.000 1.363 235 W HN 0.734 nan 8.180 nan 0.000 0.565 236 G N 4.225 112.888 108.800 -0.228 0.000 2.148 236 G HA2 -0.413 3.547 3.960 0.000 0.000 0.203 236 G HA3 -0.413 3.547 3.960 0.000 0.000 0.203 236 G C 0.463 175.312 174.900 -0.086 0.000 0.993 236 G CA 0.048 44.996 45.100 -0.254 0.000 0.661 236 G HN 0.669 nan 8.290 nan 0.000 0.518 237 Y N 2.076 122.297 120.300 -0.132 0.000 2.256 237 Y HA 0.146 4.696 4.550 0.000 0.000 0.288 237 Y C 1.683 177.625 175.900 0.068 0.000 1.155 237 Y CA 2.281 60.332 58.100 -0.082 0.000 1.203 237 Y CB 0.211 38.678 38.460 0.012 0.000 0.980 237 Y HN 0.744 nan 8.280 nan 0.000 0.530 238 S N -0.971 114.817 115.700 0.146 0.000 2.588 238 S HA 0.740 5.210 4.470 0.000 0.000 0.275 238 S C -0.993 173.559 174.600 -0.080 0.000 1.130 238 S CA -0.267 57.956 58.200 0.038 0.000 0.855 238 S CB 2.078 65.290 63.200 0.020 0.000 1.116 238 S HN 0.405 nan 8.310 nan 0.000 0.472 239 V N -2.551 117.310 119.914 -0.089 0.000 3.147 239 V HA 1.072 5.192 4.120 0.000 0.000 0.306 239 V C -0.399 175.646 176.094 -0.083 0.000 1.209 239 V CA -0.420 61.804 62.300 -0.126 0.000 1.023 239 V CB 0.853 32.580 31.823 -0.159 0.000 1.059 239 V HN 2.043 nan 8.190 nan 0.000 0.435 240 A N 1.530 124.311 122.820 -0.065 0.000 2.564 240 A HA 1.011 5.332 4.320 0.000 0.000 0.291 240 A C -0.824 176.783 177.584 0.038 0.000 1.102 240 A CA -0.111 51.915 52.037 -0.019 0.000 0.660 240 A CB 1.595 20.587 19.000 -0.014 0.000 1.283 240 A HN 2.532 nan 8.150 nan 0.000 0.430 241 V N -2.437 117.515 119.914 0.063 0.000 3.102 241 V HA 1.077 5.197 4.120 0.000 0.000 0.312 241 V C 0.155 176.316 176.094 0.111 0.000 1.135 241 V CA 0.177 62.555 62.300 0.129 0.000 1.022 241 V CB 1.204 33.098 31.823 0.119 0.000 1.056 241 V HN 2.547 nan 8.190 nan 0.000 0.436 242 G N 1.129 110.037 108.800 0.181 0.000 2.364 242 G HA2 0.552 4.512 3.960 0.000 0.000 0.286 242 G HA3 0.552 4.512 3.960 0.000 0.000 0.286 242 G C -1.847 173.160 174.900 0.179 0.000 1.241 242 G CA -0.041 45.132 45.100 0.121 0.000 0.887 242 G HN 1.155 nan 8.290 nan 0.000 0.484 243 E N -0.507 119.721 120.200 0.047 0.000 2.244 243 E HA 0.731 5.081 4.350 0.000 0.000 0.260 243 E C -1.279 175.056 176.600 -0.441 0.000 0.884 243 E CA -0.737 55.607 56.400 -0.093 0.000 0.777 243 E CB 1.076 30.704 29.700 -0.121 0.000 1.197 243 E HN 0.271 nan 8.360 nan 0.000 0.416 244 F N 2.094 122.092 119.950 0.079 0.000 2.915 244 F HA 0.184 4.711 4.527 0.000 0.000 0.347 244 F C 1.064 176.906 175.800 0.070 0.000 1.104 244 F CA -0.188 57.868 58.000 0.093 0.000 1.126 244 F CB 0.910 39.980 39.000 0.117 0.000 1.145 244 F HN 0.503 nan 8.300 nan 0.000 0.541 245 D N -1.059 119.431 120.400 0.149 0.000 2.449 245 D HA 0.277 4.917 4.640 0.000 0.000 0.210 245 D C 1.844 178.170 176.300 0.044 0.000 1.094 245 D CA 1.029 55.079 54.000 0.083 0.000 0.846 245 D CB 0.578 41.396 40.800 0.030 0.000 1.003 245 D HN 0.297 nan 8.370 nan 0.000 0.504 246 G N 0.922 109.736 108.800 0.022 0.000 2.399 246 G HA2 -0.264 3.696 3.960 0.000 0.000 0.216 246 G HA3 -0.264 3.696 3.960 0.000 0.000 0.216 246 G C -0.019 174.873 174.900 -0.013 0.000 1.096 246 G CA 0.168 45.270 45.100 0.003 0.000 0.650 246 G HN 0.523 nan 8.290 nan 0.000 0.512 247 D N 1.405 121.797 120.400 -0.013 0.000 2.339 247 D HA 0.451 5.091 4.640 0.000 0.000 0.256 247 D C 1.799 178.081 176.300 -0.030 0.000 1.214 247 D CA -0.227 53.761 54.000 -0.021 0.000 0.877 247 D CB 0.575 41.362 40.800 -0.021 0.000 1.111 247 D HN 0.248 nan 8.370 nan 0.000 0.478 248 L N 3.577 124.782 121.223 -0.031 0.000 2.395 248 L HA -0.055 4.285 4.340 0.000 0.000 0.218 248 L C 1.962 178.815 176.870 -0.029 0.000 1.130 248 L CA 0.180 55.000 54.840 -0.033 0.000 0.826 248 L CB -0.243 41.797 42.059 -0.033 0.000 0.941 248 L HN 0.390 nan 8.230 nan 0.000 0.451 249 N N -0.055 118.628 118.700 -0.028 0.000 2.084 249 N HA -0.082 4.658 4.740 0.000 0.000 0.190 249 N C 1.084 176.565 175.510 -0.049 0.000 1.030 249 N CA 1.493 54.526 53.050 -0.028 0.000 0.849 249 N CB -0.460 38.014 38.487 -0.021 0.000 1.012 249 N HN 0.395 nan 8.380 nan 0.000 0.423 250 T N -1.566 112.946 114.554 -0.071 0.000 2.849 250 T HA 0.414 4.764 4.350 0.000 0.000 0.284 250 T C 0.166 174.798 174.700 -0.112 0.000 1.004 250 T CA -0.412 61.613 62.100 -0.125 0.000 1.021 250 T CB 1.645 70.413 68.868 -0.166 0.000 1.013 250 T HN -0.126 nan 8.240 nan 0.000 0.527 251 T N 1.596 116.050 114.554 -0.167 0.000 2.893 251 T HA 0.519 4.869 4.350 0.000 0.000 0.293 251 T C -0.953 173.597 174.700 -0.250 0.000 1.027 251 T CA -0.645 61.380 62.100 -0.126 0.000 0.988 251 T CB 1.742 70.574 68.868 -0.060 0.000 1.043 251 T HN 0.667 nan 8.240 nan 0.000 0.461 252 E N 1.435 121.572 120.200 -0.104 0.000 2.204 252 E HA 0.527 4.877 4.350 0.000 0.000 0.276 252 E C -1.003 175.592 176.600 -0.007 0.000 0.974 252 E CA -0.544 55.779 56.400 -0.128 0.000 0.815 252 E CB 0.672 30.446 29.700 0.124 0.000 1.119 252 E HN 0.414 nan 8.360 nan 0.000 0.393 253 Y N 0.268 120.559 120.300 -0.015 0.000 2.335 253 Y HA 0.523 5.073 4.550 0.000 0.000 0.323 253 Y C 0.067 175.930 175.900 -0.063 0.000 1.224 253 Y CA -1.263 56.816 58.100 -0.036 0.000 1.241 253 Y CB 0.886 39.317 38.460 -0.049 0.000 1.235 253 Y HN 0.137 nan 8.280 nan 0.000 0.492 254 V N 3.301 123.263 119.914 0.080 0.000 2.483 254 V HA 0.531 4.651 4.120 0.000 0.000 0.297 254 V C -0.771 175.246 176.094 -0.128 0.000 1.027 254 V CA -0.815 61.447 62.300 -0.063 0.000 0.855 254 V CB 1.615 33.388 31.823 -0.084 0.000 0.995 254 V HN 0.531 nan 8.190 nan 0.000 0.424 255 V N 3.118 122.912 119.914 -0.201 0.000 2.680 255 V HA 0.828 4.948 4.120 0.000 0.000 0.309 255 V C 0.546 176.459 176.094 -0.302 0.000 1.052 255 V CA -0.512 61.564 62.300 -0.374 0.000 0.908 255 V CB 2.171 33.516 31.823 -0.798 0.000 1.001 255 V HN 0.910 nan 8.190 nan 0.000 0.431 256 G N 1.994 110.640 108.800 -0.257 0.000 2.368 256 G HA2 0.638 4.598 3.960 0.000 0.000 0.320 256 G HA3 0.638 4.598 3.960 0.000 0.000 0.320 256 G C -0.375 174.481 174.900 -0.074 0.000 1.158 256 G CA -0.269 44.748 45.100 -0.137 0.000 0.912 256 G HN 1.155 nan 8.290 nan 0.000 0.456 257 A N 4.790 127.620 122.820 0.016 0.000 2.802 257 A HA 0.668 4.988 4.320 0.000 0.000 0.344 257 A C -1.478 176.165 177.584 0.098 0.000 1.215 257 A CA -1.357 50.774 52.037 0.158 0.000 0.821 257 A CB 1.435 20.642 19.000 0.345 0.000 1.099 257 A HN 0.446 nan 8.150 nan 0.000 0.479 258 P HA -0.052 nan 4.420 nan 0.000 0.237 258 P C 0.835 177.913 177.300 -0.370 0.000 1.178 258 P CA 1.384 64.290 63.100 -0.324 0.000 0.766 258 P CB 0.055 31.246 31.700 -0.848 0.000 0.876 259 T N -6.727 107.727 114.554 -0.167 0.000 3.252 259 T HA 0.153 4.503 4.350 0.000 0.000 0.286 259 T C -0.141 174.520 174.700 -0.066 0.000 1.013 259 T CA -0.767 61.258 62.100 -0.125 0.000 0.914 259 T CB -0.902 67.880 68.868 -0.142 0.000 1.131 259 T HN -0.050 nan 8.240 nan 0.000 0.529 260 W N 2.389 123.599 121.300 -0.150 0.000 2.170 260 W HA 0.423 5.083 4.660 0.000 0.000 0.342 260 W C 0.727 177.126 176.519 -0.200 0.000 1.294 260 W CA 0.977 58.207 57.345 -0.193 0.000 1.246 260 W CB 0.345 29.716 29.460 -0.148 0.000 1.156 260 W HN 0.340 nan 8.180 nan 0.000 0.572 261 S N 6.432 121.363 115.700 -1.283 0.000 3.436 261 S HA -0.237 4.233 4.470 0.000 0.000 0.393 261 S C -0.078 174.386 174.600 -0.226 0.000 0.914 261 S CA 0.797 58.340 58.200 -1.095 0.000 1.317 261 S CB -1.571 60.792 63.200 -1.396 0.000 0.920 261 S HN 0.959 nan 8.310 nan 0.000 0.564 262 W N 0.041 121.140 121.300 -0.334 0.000 6.199 262 W HA -0.323 4.337 4.660 0.000 0.000 0.416 262 W C 1.214 177.665 176.519 -0.113 0.000 1.636 262 W CA 1.354 58.590 57.345 -0.182 0.000 1.040 262 W CB -3.078 26.281 29.460 -0.168 0.000 2.854 262 W HN 1.747 nan 8.180 nan 0.000 1.467 263 T N -4.096 110.464 114.554 0.011 0.000 5.221 263 T HA -0.373 3.977 4.350 0.000 0.000 0.299 263 T C 0.762 175.512 174.700 0.083 0.000 1.489 263 T CA 1.472 63.602 62.100 0.050 0.000 2.593 263 T CB -1.633 67.297 68.868 0.103 0.000 1.859 263 T HN 0.391 nan 8.240 nan 0.000 0.982 264 L N 1.401 122.671 121.223 0.078 0.000 2.109 264 L HA 0.504 4.844 4.340 0.000 0.000 0.207 264 L C 1.528 178.480 176.870 0.135 0.000 1.086 264 L CA 2.627 57.526 54.840 0.099 0.000 0.760 264 L CB -0.794 41.317 42.059 0.087 0.000 0.910 264 L HN 1.613 nan 8.230 nan 0.000 0.437 265 G N -1.105 107.813 108.800 0.197 0.000 2.721 265 G HA2 0.372 4.332 3.960 0.000 0.000 0.686 265 G HA3 0.372 4.332 3.960 0.000 0.000 0.686 265 G C -0.640 174.449 174.900 0.315 0.000 1.236 265 G CA -0.308 44.941 45.100 0.247 0.000 0.786 265 G HN 1.100 nan 8.290 nan 0.000 0.616 266 A N 0.272 123.272 122.820 0.300 0.000 2.594 266 A HA 0.922 5.242 4.320 0.000 0.000 0.296 266 A C -0.792 176.843 177.584 0.085 0.000 1.061 266 A CA 0.015 52.111 52.037 0.098 0.000 0.689 266 A CB 2.053 20.787 19.000 -0.443 0.000 1.280 266 A HN 2.117 nan 8.150 nan 0.000 0.406 267 V N 1.680 121.637 119.914 0.072 0.000 2.540 267 V HA 0.506 4.626 4.120 0.000 0.000 0.302 267 V C -0.334 175.696 176.094 -0.106 0.000 1.035 267 V CA -0.362 61.911 62.300 -0.045 0.000 0.873 267 V CB 1.699 33.474 31.823 -0.079 0.000 0.992 267 V HN 0.936 nan 8.190 nan 0.000 0.428 268 E N 4.302 124.455 120.200 -0.079 0.000 2.212 268 E HA 0.608 4.959 4.350 0.000 0.000 0.268 268 E C -1.217 175.356 176.600 -0.045 0.000 0.902 268 E CA -0.721 55.665 56.400 -0.024 0.000 0.779 268 E CB 2.900 32.695 29.700 0.159 0.000 1.172 268 E HN 0.515 nan 8.360 nan 0.000 0.409 269 I N 3.887 124.420 120.570 -0.062 0.000 2.339 269 I HA 0.319 4.489 4.170 0.000 0.000 0.290 269 I C -0.728 175.374 176.117 -0.024 0.000 0.994 269 I CA -0.493 60.744 61.300 -0.105 0.000 1.191 269 I CB 0.678 38.536 38.000 -0.236 0.000 1.343 269 I HN 0.237 nan 8.210 nan 0.000 0.458 270 L N 5.124 126.364 121.223 0.028 0.000 2.333 270 L HA 0.505 4.846 4.340 0.000 0.000 0.263 270 L C -0.394 176.415 176.870 -0.101 0.000 1.014 270 L CA -0.876 53.998 54.840 0.056 0.000 0.820 270 L CB 1.605 43.820 42.059 0.260 0.000 1.352 270 L HN 0.537 nan 8.230 nan 0.000 0.421 271 D N -0.911 119.404 120.400 -0.141 0.000 2.451 271 D HA 0.111 4.751 4.640 0.000 0.000 0.259 271 D C 1.045 176.985 176.300 -0.599 0.000 1.201 271 D CA -0.141 53.669 54.000 -0.317 0.000 1.028 271 D CB 0.639 41.312 40.800 -0.212 0.000 1.095 271 D HN 0.526 nan 8.370 nan 0.000 0.539 272 S N -1.189 114.036 115.700 -0.790 0.000 2.440 272 S HA -0.232 4.238 4.470 0.000 0.000 0.238 272 S C 1.080 175.271 174.600 -0.681 0.000 1.010 272 S CA 0.682 58.319 58.200 -0.938 0.000 0.972 272 S CB -0.798 61.925 63.200 -0.796 0.000 0.774 272 S HN 0.532 nan 8.310 nan 0.000 0.501 273 Y N 0.356 120.522 120.300 -0.222 0.000 2.583 273 Y HA 0.416 4.966 4.550 0.000 0.000 0.294 273 Y C -0.209 175.820 175.900 0.215 0.000 1.170 273 Y CA -2.107 55.994 58.100 0.002 0.000 1.265 273 Y CB -1.623 36.891 38.460 0.090 0.000 1.119 273 Y HN 0.170 nan 8.280 nan 0.000 0.522 274 Y N -1.265 119.196 120.300 0.269 0.000 3.929 274 Y HA -0.290 4.260 4.550 0.000 0.000 0.225 274 Y C 0.141 176.215 175.900 0.291 0.000 1.200 274 Y CA -0.082 58.210 58.100 0.320 0.000 1.791 274 Y CB -2.206 36.440 38.460 0.309 0.000 1.561 274 Y HN 0.225 nan 8.280 nan 0.000 0.657 275 Q N 0.905 120.881 119.800 0.293 0.000 2.243 275 Q HA 0.388 4.728 4.340 0.000 0.000 0.252 275 Q C 0.426 176.500 176.000 0.125 0.000 0.909 275 Q CA -0.595 55.326 55.803 0.197 0.000 0.922 275 Q CB 1.093 29.919 28.738 0.147 0.000 1.215 275 Q HN 0.386 nan 8.270 nan 0.000 0.427 276 R N 2.398 122.960 120.500 0.104 0.000 2.449 276 R HA 0.116 4.456 4.340 0.000 0.000 0.296 276 R C 0.974 177.255 176.300 -0.031 0.000 1.047 276 R CA 0.070 56.208 56.100 0.062 0.000 1.018 276 R CB 0.506 30.848 30.300 0.070 0.000 0.962 276 R HN 0.541 nan 8.270 nan 0.000 0.428 277 L N 1.831 122.987 121.223 -0.111 0.000 2.269 277 L HA 0.139 4.479 4.340 0.000 0.000 0.200 277 L C 0.291 176.835 176.870 -0.543 0.000 1.069 277 L CA 0.723 55.369 54.840 -0.323 0.000 0.804 277 L CB 0.100 41.947 42.059 -0.353 0.000 0.987 277 L HN 0.635 nan 8.230 nan 0.000 0.468 278 H N -1.595 117.444 119.070 -0.051 0.000 2.928 278 H HA 0.547 5.103 4.556 0.000 0.000 0.371 278 H C -1.000 174.261 175.328 -0.111 0.000 1.186 278 H CA -0.833 55.165 56.048 -0.084 0.000 1.134 278 H CB 2.006 31.693 29.762 -0.126 0.000 1.824 278 H HN -0.171 nan 8.280 nan 0.000 0.554 279 R N 2.183 122.685 120.500 0.003 0.000 2.502 279 R HA 0.388 4.728 4.340 0.000 0.000 0.300 279 R C -1.787 174.415 176.300 -0.164 0.000 0.984 279 R CA -0.686 55.340 56.100 -0.124 0.000 0.882 279 R CB 0.967 31.150 30.300 -0.195 0.000 1.180 279 R HN 0.567 nan 8.270 nan 0.000 0.444 280 L N 5.409 126.514 121.223 -0.198 0.000 2.265 280 L HA 0.521 4.861 4.340 0.000 0.000 0.289 280 L C 0.279 177.030 176.870 -0.198 0.000 1.033 280 L CA -0.697 54.013 54.840 -0.217 0.000 0.814 280 L CB 1.424 43.300 42.059 -0.305 0.000 1.203 280 L HN 0.476 nan 8.230 nan 0.000 0.423 281 R N 1.698 122.036 120.500 -0.269 0.000 2.459 281 R HA 0.437 4.777 4.340 0.000 0.000 0.281 281 R C 0.456 176.302 176.300 -0.757 0.000 1.050 281 R CA -0.557 55.363 56.100 -0.300 0.000 1.055 281 R CB 0.927 31.165 30.300 -0.104 0.000 1.045 281 R HN 0.742 nan 8.270 nan 0.000 0.495 282 G N 0.316 108.663 108.800 -0.755 0.000 2.544 282 G HA2 -0.064 3.896 3.960 0.000 0.000 0.242 282 G HA3 -0.064 3.896 3.960 0.000 0.000 0.242 282 G C 0.263 174.897 174.900 -0.443 0.000 1.247 282 G CA -0.340 44.161 45.100 -0.997 0.000 0.840 282 G HN 0.825 nan 8.290 nan 0.000 0.578 283 E N -0.334 119.691 120.200 -0.292 0.000 2.190 283 E HA 0.004 4.354 4.350 0.000 0.000 0.191 283 E C 0.811 177.477 176.600 0.110 0.000 0.978 283 E CA 0.433 56.826 56.400 -0.011 0.000 0.839 283 E CB 0.154 29.956 29.700 0.170 0.000 0.787 283 E HN 0.552 nan 8.360 nan 0.000 0.473 284 Q N 0.378 120.277 119.800 0.164 0.000 2.309 284 Q HA 0.260 4.600 4.340 0.000 0.000 0.273 284 Q C -1.239 174.851 176.000 0.150 0.000 1.040 284 Q CA -0.578 55.328 55.803 0.171 0.000 0.834 284 Q CB 1.630 30.510 28.738 0.236 0.000 1.345 284 Q HN 0.051 nan 8.270 nan 0.000 0.414 285 M N 2.372 122.035 119.600 0.106 0.000 2.245 285 M HA 0.221 4.702 4.480 0.000 0.000 0.344 285 M C 0.792 177.174 176.300 0.136 0.000 1.170 285 M CA 1.377 56.743 55.300 0.110 0.000 1.135 285 M CB 0.650 33.298 32.600 0.080 0.000 1.574 285 M HN 1.011 nan 8.290 nan 0.000 0.452 286 A N 1.253 124.174 122.820 0.168 0.000 2.899 286 A HA -0.180 4.140 4.320 0.000 0.000 0.257 286 A C 1.314 179.060 177.584 0.271 0.000 1.335 286 A CA 1.184 53.352 52.037 0.219 0.000 0.924 286 A CB -2.527 16.575 19.000 0.169 0.000 1.105 286 A HN 1.012 nan 8.150 nan 0.000 0.765 287 S N -2.510 113.364 115.700 0.290 0.000 2.548 287 S HA 0.257 4.727 4.470 0.000 0.000 0.215 287 S C 0.638 175.502 174.600 0.440 0.000 0.976 287 S CA 0.887 59.301 58.200 0.357 0.000 0.908 287 S CB -0.365 63.096 63.200 0.435 0.000 0.781 287 S HN 1.609 nan 8.310 nan 0.000 0.519 288 Y N 0.489 120.923 120.300 0.223 0.000 3.389 288 Y HA -0.235 4.315 4.550 0.000 0.000 0.213 288 Y C 0.000 176.035 175.900 0.224 0.000 1.272 288 Y CA 0.013 58.224 58.100 0.187 0.000 1.444 288 Y CB -2.439 36.094 38.460 0.122 0.000 1.445 288 Y HN 0.591 nan 8.280 nan 0.000 0.583 289 F N 1.235 121.274 119.950 0.149 0.000 2.557 289 F HA 0.372 4.899 4.527 0.000 0.000 0.384 289 F C 1.259 177.078 175.800 0.032 0.000 1.057 289 F CA 1.565 59.626 58.000 0.102 0.000 1.169 289 F CB 0.381 39.397 39.000 0.027 0.000 1.070 289 F HN 0.383 nan 8.300 nan 0.000 0.554 290 G N 4.332 112.941 108.800 -0.318 0.000 2.168 290 G HA2 -0.307 3.653 3.960 0.000 0.000 0.197 290 G HA3 -0.307 3.653 3.960 0.000 0.000 0.197 290 G C 1.199 176.063 174.900 -0.061 0.000 0.997 290 G CA 0.190 45.162 45.100 -0.213 0.000 0.658 290 G HN 0.824 nan 8.290 nan 0.000 0.513 291 H N 0.606 119.644 119.070 -0.054 0.000 2.387 291 H HA 0.148 4.704 4.556 0.000 0.000 0.299 291 H C 0.508 175.869 175.328 0.056 0.000 1.090 291 H CA 2.031 58.104 56.048 0.040 0.000 1.332 291 H CB 0.302 30.158 29.762 0.157 0.000 1.386 291 H HN 0.387 nan 8.280 nan 0.000 0.516 292 S N 0.270 116.012 115.700 0.071 0.000 2.536 292 S HA 0.484 4.954 4.470 0.000 0.000 0.287 292 S C -0.822 173.741 174.600 -0.062 0.000 1.101 292 S CA -0.482 57.713 58.200 -0.009 0.000 0.950 292 S CB 2.801 66.020 63.200 0.031 0.000 1.056 292 S HN 0.287 nan 8.310 nan 0.000 0.481 293 V N -0.806 119.069 119.914 -0.065 0.000 2.841 293 V HA 1.062 5.182 4.120 0.000 0.000 0.310 293 V C -0.537 175.535 176.094 -0.037 0.000 1.090 293 V CA -0.916 61.346 62.300 -0.063 0.000 0.930 293 V CB 1.107 32.881 31.823 -0.082 0.000 1.014 293 V HN 1.134 nan 8.190 nan 0.000 0.425 294 A N 3.054 125.867 122.820 -0.012 0.000 2.539 294 A HA 0.952 5.272 4.320 0.000 0.000 0.296 294 A C -1.185 176.420 177.584 0.035 0.000 1.073 294 A CA -0.746 51.292 52.037 0.003 0.000 0.700 294 A CB 2.323 21.323 19.000 0.000 0.000 1.296 294 A HN 1.551 nan 8.150 nan 0.000 0.405 295 V N 1.169 121.091 119.914 0.014 0.000 2.482 295 V HA 0.819 4.939 4.120 0.000 0.000 0.295 295 V C -0.148 175.896 176.094 -0.084 0.000 1.026 295 V CA -0.037 62.263 62.300 -0.000 0.000 0.856 295 V CB 1.379 33.176 31.823 -0.043 0.000 1.001 295 V HN 1.200 nan 8.190 nan 0.000 0.424 296 T N 2.033 116.593 114.554 0.011 0.000 2.886 296 T HA 0.312 4.662 4.350 0.000 0.000 0.330 296 T C -1.944 172.863 174.700 0.179 0.000 1.488 296 T CA -0.529 61.621 62.100 0.084 0.000 1.054 296 T CB 1.836 70.748 68.868 0.073 0.000 1.348 296 T HN 0.746 nan 8.240 nan 0.000 0.489 297 D N 2.567 123.102 120.400 0.225 0.000 2.374 297 D HA 0.297 4.937 4.640 0.000 0.000 0.240 297 D C 1.539 177.919 176.300 0.133 0.000 1.229 297 D CA -0.069 54.023 54.000 0.153 0.000 0.895 297 D CB 0.791 41.645 40.800 0.091 0.000 1.046 297 D HN 0.419 nan 8.370 nan 0.000 0.498 298 V N 2.163 122.152 119.914 0.125 0.000 2.825 298 V HA 0.037 4.157 4.120 0.000 0.000 0.246 298 V C 1.461 177.640 176.094 0.141 0.000 1.068 298 V CA 0.852 63.225 62.300 0.122 0.000 1.088 298 V CB -0.539 31.334 31.823 0.083 0.000 0.733 298 V HN 0.568 nan 8.190 nan 0.000 0.468 299 N N 1.546 120.321 118.700 0.124 0.000 2.336 299 N HA 0.155 4.895 4.740 0.000 0.000 0.189 299 N C 1.376 177.066 175.510 0.300 0.000 1.113 299 N CA 0.737 53.855 53.050 0.113 0.000 0.858 299 N CB 0.139 38.656 38.487 0.050 0.000 0.970 299 N HN 0.981 nan 8.380 nan 0.000 0.471 300 G N 1.923 110.902 108.800 0.298 0.000 2.272 300 G HA2 -0.263 3.697 3.960 0.000 0.000 0.280 300 G HA3 -0.263 3.697 3.960 0.000 0.000 0.280 300 G C -0.112 174.859 174.900 0.118 0.000 1.067 300 G CA 0.488 45.719 45.100 0.218 0.000 0.902 300 G HN 0.670 nan 8.290 nan 0.000 0.500 301 D N -1.647 118.801 120.400 0.080 0.000 2.479 301 D HA 0.400 5.040 4.640 0.000 0.000 0.218 301 D C 1.682 177.979 176.300 -0.006 0.000 1.177 301 D CA 0.556 54.579 54.000 0.039 0.000 0.830 301 D CB -0.256 40.572 40.800 0.048 0.000 1.014 301 D HN 1.469 nan 8.370 nan 0.000 0.503 302 G N 1.020 109.803 108.800 -0.027 0.000 2.383 302 G HA2 -0.300 3.660 3.960 0.000 0.000 0.229 302 G HA3 -0.300 3.660 3.960 0.000 0.000 0.229 302 G C 0.354 175.163 174.900 -0.151 0.000 1.089 302 G CA -0.208 44.841 45.100 -0.084 0.000 0.640 302 G HN 0.419 nan 8.290 nan 0.000 0.510 303 R N 1.263 121.700 120.500 -0.104 0.000 2.298 303 R HA 0.427 4.767 4.340 0.000 0.000 0.310 303 R C 0.001 176.237 176.300 -0.107 0.000 1.068 303 R CA -0.469 55.546 56.100 -0.141 0.000 0.957 303 R CB 0.300 30.568 30.300 -0.054 0.000 1.003 303 R HN 0.599 nan 8.270 nan 0.000 0.454 304 H N 1.336 120.282 119.070 -0.206 0.000 2.928 304 H HA -0.018 4.538 4.556 0.000 0.000 0.338 304 H C -0.238 175.053 175.328 -0.062 0.000 1.047 304 H CA 0.131 56.050 56.048 -0.215 0.000 1.435 304 H CB 0.641 30.104 29.762 -0.499 0.000 1.428 304 H HN 0.424 nan 8.280 nan 0.000 0.590 305 D N 1.978 122.515 120.400 0.228 0.000 2.299 305 D HA 0.221 4.861 4.640 0.000 0.000 0.243 305 D C -0.654 175.845 176.300 0.331 0.000 0.982 305 D CA -0.713 53.453 54.000 0.276 0.000 0.924 305 D CB 2.397 43.309 40.800 0.186 0.000 1.238 305 D HN 0.114 nan 8.370 nan 0.000 0.484 306 L N 1.039 122.477 121.223 0.358 0.000 2.329 306 L HA 0.482 4.822 4.340 0.000 0.000 0.279 306 L C -1.464 175.574 176.870 0.280 0.000 1.014 306 L CA -0.445 54.571 54.840 0.293 0.000 0.814 306 L CB 1.150 43.323 42.059 0.191 0.000 1.257 306 L HN 0.280 nan 8.230 nan 0.000 0.424 307 L N 5.389 126.714 121.223 0.170 0.000 2.346 307 L HA 0.747 5.087 4.340 0.000 0.000 0.276 307 L C -0.933 175.987 176.870 0.083 0.000 1.006 307 L CA -0.771 54.142 54.840 0.123 0.000 0.817 307 L CB 2.093 44.176 42.059 0.040 0.000 1.272 307 L HN 0.349 nan 8.230 nan 0.000 0.421 308 V N 1.251 121.224 119.914 0.098 0.000 2.735 308 V HA 0.704 4.824 4.120 0.000 0.000 0.310 308 V C 0.204 176.276 176.094 -0.038 0.000 1.061 308 V CA -0.615 61.637 62.300 -0.080 0.000 0.913 308 V CB 1.963 33.591 31.823 -0.326 0.000 1.005 308 V HN 0.829 nan 8.190 nan 0.000 0.428 309 G N 2.044 110.783 108.800 -0.101 0.000 2.379 309 G HA2 0.666 4.626 3.960 0.000 0.000 0.327 309 G HA3 0.666 4.626 3.960 0.000 0.000 0.327 309 G C -0.449 174.494 174.900 0.071 0.000 1.145 309 G CA -0.258 44.850 45.100 0.013 0.000 0.905 309 G HN 1.184 nan 8.290 nan 0.000 0.466 310 A N 3.897 126.850 122.820 0.222 0.000 3.030 310 A HA 0.665 4.985 4.320 0.000 0.000 0.335 310 A C -1.839 175.927 177.584 0.302 0.000 1.089 310 A CA -1.192 51.048 52.037 0.338 0.000 0.807 310 A CB 1.517 20.863 19.000 0.577 0.000 1.099 310 A HN 0.379 nan 8.150 nan 0.000 0.474 311 P HA -0.096 nan 4.420 nan 0.000 0.220 311 P C 0.786 178.198 177.300 0.188 0.000 1.148 311 P CA 0.950 64.124 63.100 0.124 0.000 0.803 311 P CB 0.172 31.817 31.700 -0.091 0.000 0.782 312 L N -2.845 118.507 121.223 0.215 0.000 2.685 312 L HA 0.180 4.520 4.340 0.000 0.000 0.233 312 L C 0.584 177.593 176.870 0.232 0.000 1.173 312 L CA -0.772 54.190 54.840 0.204 0.000 0.961 312 L CB -0.776 41.391 42.059 0.181 0.000 1.217 312 L HN -0.034 nan 8.230 nan 0.000 0.478 313 Y N 2.381 122.789 120.300 0.181 0.000 2.620 313 Y HA 0.144 4.694 4.550 0.000 0.000 0.330 313 Y C 0.242 176.204 175.900 0.102 0.000 1.186 313 Y CA 0.137 58.340 58.100 0.171 0.000 1.467 313 Y CB 0.392 38.975 38.460 0.204 0.000 1.262 313 Y HN 0.052 nan 8.280 nan 0.000 0.550 314 M N 6.883 126.081 119.600 -0.671 0.000 2.336 314 M HA 0.325 4.805 4.480 0.000 0.000 0.342 314 M C -0.475 175.380 176.300 -0.741 0.000 1.128 314 M CA -0.591 54.410 55.300 -0.498 0.000 1.016 314 M CB 1.822 34.258 32.600 -0.274 0.000 1.665 314 M HN 0.703 nan 8.290 nan 0.000 0.445 315 E N 1.297 121.311 120.200 -0.309 0.000 2.281 315 E HA 0.679 5.029 4.350 0.000 0.000 0.257 315 E C -0.967 175.578 176.600 -0.092 0.000 0.971 315 E CA -1.022 55.301 56.400 -0.129 0.000 0.839 315 E CB 1.525 31.258 29.700 0.055 0.000 1.238 315 E HN 0.611 nan 8.360 nan 0.000 0.412 316 S N 0.320 115.994 115.700 -0.042 0.000 2.616 316 S HA 0.629 5.099 4.470 0.000 0.000 0.277 316 S C -0.174 174.409 174.600 -0.029 0.000 1.234 316 S CA -0.859 57.319 58.200 -0.036 0.000 1.028 316 S CB 1.072 64.259 63.200 -0.021 0.000 0.988 316 S HN 0.560 nan 8.310 nan 0.000 0.522 317 R N -0.207 120.275 120.500 -0.030 0.000 2.739 317 R HA 0.611 4.951 4.340 0.000 0.000 0.271 317 R C 1.020 177.309 176.300 -0.019 0.000 1.010 317 R CA -0.482 55.603 56.100 -0.025 0.000 0.897 317 R CB 1.433 31.714 30.300 -0.032 0.000 1.236 317 R HN 0.731 nan 8.270 nan 0.000 0.466 318 A N 1.197 124.009 122.820 -0.015 0.000 1.869 318 A HA -0.254 4.066 4.320 0.000 0.000 0.218 318 A C 1.135 178.712 177.584 -0.011 0.000 1.203 318 A CA 2.441 54.471 52.037 -0.011 0.000 0.638 318 A CB -0.551 18.444 19.000 -0.009 0.000 0.831 318 A HN 0.840 nan 8.150 nan 0.000 0.450 319 D N -2.318 118.076 120.400 -0.011 0.000 2.358 319 D HA 0.297 4.937 4.640 0.000 0.000 0.224 319 D C 0.338 176.632 176.300 -0.011 0.000 1.123 319 D CA -0.089 53.906 54.000 -0.008 0.000 0.833 319 D CB 0.023 40.821 40.800 -0.004 0.000 0.946 319 D HN 0.190 nan 8.370 nan 0.000 0.505 320 R N 0.132 120.622 120.500 -0.018 0.000 2.867 320 R HA 0.221 4.561 4.340 0.000 0.000 0.288 320 R C 0.395 176.675 176.300 -0.033 0.000 1.360 320 R CA -0.378 55.707 56.100 -0.025 0.000 1.042 320 R CB 0.478 30.755 30.300 -0.038 0.000 1.287 320 R HN -0.221 nan 8.270 nan 0.000 0.404 321 K N 2.250 122.633 120.400 -0.027 0.000 2.025 321 K HA 0.067 4.387 4.320 0.000 0.000 0.207 321 K C 0.229 176.799 176.600 -0.051 0.000 1.049 321 K CA 1.120 57.388 56.287 -0.032 0.000 0.933 321 K CB 0.117 32.604 32.500 -0.023 0.000 0.714 321 K HN 0.387 nan 8.250 nan 0.000 0.438 322 L N 1.741 122.934 121.223 -0.049 0.000 2.407 322 L HA 0.238 4.578 4.340 0.000 0.000 0.261 322 L C -0.546 176.265 176.870 -0.097 0.000 1.108 322 L CA -0.667 54.132 54.840 -0.069 0.000 0.995 322 L CB 0.999 43.037 42.059 -0.036 0.000 1.349 322 L HN 0.020 nan 8.230 nan 0.000 0.423 323 A N 2.704 125.449 122.820 -0.125 0.000 2.478 323 A HA 0.222 4.542 4.320 0.000 0.000 0.327 323 A C 0.286 177.754 177.584 -0.192 0.000 1.431 323 A CA -0.424 51.514 52.037 -0.166 0.000 1.014 323 A CB 0.094 19.022 19.000 -0.120 0.000 1.143 323 A HN 0.639 nan 8.150 nan 0.000 0.532 324 E N 2.066 122.107 120.200 -0.264 0.000 2.366 324 E HA 0.257 4.607 4.350 0.000 0.000 0.266 324 E C 0.571 177.082 176.600 -0.148 0.000 1.015 324 E CA 0.383 56.672 56.400 -0.185 0.000 0.906 324 E CB 0.580 30.191 29.700 -0.149 0.000 0.979 324 E HN 0.646 nan 8.360 nan 0.000 0.443 325 V N 1.134 121.053 119.914 0.008 0.000 3.193 325 V HA 0.478 4.598 4.120 0.000 0.000 0.237 325 V C 0.588 176.799 176.094 0.196 0.000 1.447 325 V CA 0.451 62.792 62.300 0.068 0.000 1.227 325 V CB -0.059 31.783 31.823 0.031 0.000 1.040 325 V HN 0.888 nan 8.190 nan 0.000 0.458 326 G N 0.685 109.652 108.800 0.278 0.000 2.650 326 G HA2 0.201 4.161 3.960 0.000 0.000 0.686 326 G HA3 0.201 4.161 3.960 0.000 0.000 0.686 326 G C -0.802 174.331 174.900 0.387 0.000 1.205 326 G CA -0.188 45.133 45.100 0.368 0.000 0.781 326 G HN 0.917 nan 8.290 nan 0.000 0.648 327 R N -0.254 120.447 120.500 0.335 0.000 2.566 327 R HA 0.654 4.994 4.340 0.000 0.000 0.271 327 R C -1.302 175.013 176.300 0.026 0.000 1.071 327 R CA -0.785 55.360 56.100 0.075 0.000 0.915 327 R CB 2.100 32.127 30.300 -0.455 0.000 1.228 327 R HN 0.804 nan 8.270 nan 0.000 0.449 328 V N 4.281 124.170 119.914 -0.042 0.000 2.581 328 V HA 0.515 4.635 4.120 0.000 0.000 0.303 328 V C -1.174 174.732 176.094 -0.313 0.000 1.041 328 V CA -0.549 61.691 62.300 -0.100 0.000 0.907 328 V CB 1.657 33.416 31.823 -0.106 0.000 0.994 328 V HN 0.625 nan 8.190 nan 0.000 0.442 329 Y N 4.293 124.544 120.300 -0.082 0.000 2.393 329 Y HA 0.686 5.236 4.550 0.000 0.000 0.341 329 Y C -0.270 175.472 175.900 -0.264 0.000 0.988 329 Y CA -0.864 57.130 58.100 -0.178 0.000 1.078 329 Y CB 1.824 40.275 38.460 -0.015 0.000 1.203 329 Y HN 0.486 nan 8.280 nan 0.000 0.453 330 L N 4.561 125.603 121.223 -0.301 0.000 2.325 330 L HA 0.644 4.984 4.340 0.000 0.000 0.281 330 L C -1.947 174.681 176.870 -0.404 0.000 1.004 330 L CA -0.750 53.954 54.840 -0.227 0.000 0.823 330 L CB 0.206 42.175 42.059 -0.151 0.000 1.236 330 L HN 0.406 nan 8.230 nan 0.000 0.415 331 F N 5.827 125.827 119.950 0.083 0.000 2.403 331 F HA 0.490 5.017 4.527 0.000 0.000 0.355 331 F C -0.237 175.615 175.800 0.087 0.000 1.119 331 F CA -0.634 57.412 58.000 0.077 0.000 1.007 331 F CB 1.204 40.244 39.000 0.066 0.000 1.194 331 F HN 0.229 nan 8.300 nan 0.000 0.443 332 L N 3.297 124.638 121.223 0.197 0.000 2.331 332 L HA 0.283 4.623 4.340 0.000 0.000 0.278 332 L C 0.317 177.290 176.870 0.172 0.000 1.106 332 L CA -0.409 54.525 54.840 0.157 0.000 0.824 332 L CB 0.990 43.103 42.059 0.091 0.000 1.142 332 L HN 0.619 nan 8.230 nan 0.000 0.443 333 Q N 5.827 125.733 119.800 0.177 0.000 2.307 333 Q HA 0.273 4.613 4.340 0.000 0.000 0.259 333 Q C -2.255 173.810 176.000 0.109 0.000 0.998 333 Q CA -1.599 54.307 55.803 0.171 0.000 0.923 333 Q CB 1.186 30.042 28.738 0.196 0.000 1.196 333 Q HN 0.306 nan 8.270 nan 0.000 0.416 334 P HA 0.209 nan 4.420 nan 0.000 0.282 334 P C -0.868 176.478 177.300 0.077 0.000 1.287 334 P CA -0.416 62.718 63.100 0.055 0.000 0.792 334 P CB 0.979 32.688 31.700 0.015 0.000 1.163 335 R N -0.772 119.757 120.500 0.049 0.000 2.679 335 R HA 0.437 4.777 4.340 0.000 0.000 0.269 335 R C 1.108 177.532 176.300 0.207 0.000 1.076 335 R CA 1.131 57.285 56.100 0.089 0.000 1.160 335 R CB -0.645 29.689 30.300 0.056 0.000 1.054 335 R HN 0.875 nan 8.270 nan 0.000 0.507 336 G N 2.018 110.918 108.800 0.166 0.000 2.569 336 G HA2 -0.247 3.713 3.960 0.000 0.000 0.259 336 G HA3 -0.247 3.713 3.960 0.000 0.000 0.259 336 G C -1.742 173.251 174.900 0.155 0.000 1.263 336 G CA -0.181 45.020 45.100 0.168 0.000 0.928 336 G HN 0.605 nan 8.290 nan 0.000 0.572 337 P HA 0.236 nan 4.420 nan 0.000 0.263 337 P C 0.175 177.508 177.300 0.055 0.000 1.448 337 P CA -0.106 63.025 63.100 0.053 0.000 0.983 337 P CB -0.165 31.526 31.700 -0.015 0.000 1.481 338 H N 1.152 120.278 119.070 0.093 0.000 2.897 338 H HA 0.320 4.876 4.556 0.000 0.000 0.347 338 H C 0.945 176.335 175.328 0.105 0.000 1.068 338 H CA 0.334 56.433 56.048 0.085 0.000 1.426 338 H CB 0.430 30.230 29.762 0.062 0.000 1.410 338 H HN 0.147 nan 8.280 nan 0.000 0.597 339 A N 3.647 126.582 122.820 0.192 0.000 2.371 339 A HA 0.250 4.570 4.320 0.000 0.000 0.257 339 A C 0.005 177.533 177.584 -0.095 0.000 1.089 339 A CA -0.697 51.371 52.037 0.051 0.000 0.794 339 A CB 0.114 19.180 19.000 0.110 0.000 1.029 339 A HN 0.706 nan 8.150 nan 0.000 0.488 340 L N 3.187 124.173 121.223 -0.395 0.000 2.562 340 L HA 0.174 4.514 4.340 0.000 0.000 0.271 340 L C 1.410 178.248 176.870 -0.052 0.000 1.167 340 L CA -0.100 54.624 54.840 -0.194 0.000 0.917 340 L CB -0.245 41.619 42.059 -0.325 0.000 1.187 340 L HN 0.972 nan 8.230 nan 0.000 0.482 341 G N 2.604 111.447 108.800 0.072 0.000 2.624 341 G HA2 0.489 4.449 3.960 0.000 0.000 0.217 341 G HA3 0.489 4.449 3.960 0.000 0.000 0.217 341 G C 0.133 175.155 174.900 0.203 0.000 1.506 341 G CA 0.041 45.205 45.100 0.107 0.000 1.072 341 G HN 0.757 nan 8.290 nan 0.000 0.568 342 A N -0.065 122.856 122.820 0.169 0.000 2.386 342 A HA 0.557 4.877 4.320 0.000 0.000 0.246 342 A C -2.042 175.641 177.584 0.164 0.000 1.089 342 A CA -0.640 51.510 52.037 0.189 0.000 0.790 342 A CB -0.462 18.599 19.000 0.102 0.000 1.042 342 A HN 0.408 nan 8.150 nan 0.000 0.497 343 P HA 0.125 nan 4.420 nan 0.000 0.265 343 P C 0.394 177.595 177.300 -0.164 0.000 1.193 343 P CA 0.230 63.119 63.100 -0.351 0.000 0.765 343 P CB 0.721 32.237 31.700 -0.306 0.000 0.823 344 S N 1.248 116.844 115.700 -0.173 0.000 2.461 344 S HA 0.078 4.548 4.470 0.000 0.000 0.228 344 S C 0.487 175.020 174.600 -0.111 0.000 1.005 344 S CA 0.546 58.694 58.200 -0.088 0.000 0.942 344 S CB -0.288 62.886 63.200 -0.043 0.000 0.776 344 S HN 0.358 nan 8.310 nan 0.000 0.514 345 L N 0.478 121.599 121.223 -0.170 0.000 2.556 345 L HA 0.510 4.850 4.340 0.000 0.000 0.257 345 L C -2.115 174.619 176.870 -0.227 0.000 0.955 345 L CA -0.425 54.315 54.840 -0.167 0.000 0.850 345 L CB 1.540 43.510 42.059 -0.148 0.000 1.398 345 L HN -0.019 nan 8.230 nan 0.000 0.412 346 L N 5.262 126.349 121.223 -0.227 0.000 2.343 346 L HA 0.567 4.907 4.340 0.000 0.000 0.278 346 L C -1.115 175.591 176.870 -0.274 0.000 0.996 346 L CA -0.558 54.092 54.840 -0.317 0.000 0.831 346 L CB 1.691 43.564 42.059 -0.310 0.000 1.232 346 L HN 0.468 nan 8.230 nan 0.000 0.413 347 L N 3.252 124.304 121.223 -0.285 0.000 2.296 347 L HA 0.605 4.945 4.340 0.000 0.000 0.286 347 L C -0.283 176.465 176.870 -0.203 0.000 1.023 347 L CA -0.234 54.480 54.840 -0.211 0.000 0.812 347 L CB 1.893 43.827 42.059 -0.209 0.000 1.223 347 L HN 0.543 nan 8.230 nan 0.000 0.421 348 T N 1.387 115.736 114.554 -0.343 0.000 2.848 348 T HA 0.442 4.792 4.350 0.000 0.000 0.285 348 T C 0.365 174.685 174.700 -0.634 0.000 0.995 348 T CA -0.622 61.251 62.100 -0.379 0.000 0.970 348 T CB 1.813 70.564 68.868 -0.194 0.000 0.976 348 T HN 0.711 nan 8.240 nan 0.000 0.441 349 G N 1.096 109.451 108.800 -0.741 0.000 2.614 349 G HA2 0.363 4.323 3.960 0.000 0.000 0.239 349 G HA3 0.363 4.323 3.960 0.000 0.000 0.239 349 G C 1.002 175.763 174.900 -0.233 0.000 1.240 349 G CA 0.043 44.779 45.100 -0.607 0.000 0.842 349 G HN 0.813 nan 8.290 nan 0.000 0.584 350 T N -2.156 112.309 114.554 -0.148 0.000 3.000 350 T HA 0.155 4.505 4.350 0.000 0.000 0.248 350 T C 0.948 175.633 174.700 -0.026 0.000 1.034 350 T CA 0.118 62.174 62.100 -0.074 0.000 1.060 350 T CB 0.138 68.970 68.868 -0.061 0.000 0.983 350 T HN 0.466 nan 8.240 nan 0.000 0.482 351 Q N 1.385 121.192 119.800 0.011 0.000 2.293 351 Q HA 0.521 4.861 4.340 0.000 0.000 0.251 351 Q C -0.722 175.297 176.000 0.030 0.000 0.930 351 Q CA -0.837 54.992 55.803 0.044 0.000 0.893 351 Q CB 0.861 29.657 28.738 0.096 0.000 1.215 351 Q HN 0.382 nan 8.270 nan 0.000 0.425 352 L N 5.271 126.495 121.223 0.001 0.000 2.410 352 L HA 0.135 4.475 4.340 0.000 0.000 0.273 352 L C -0.727 176.146 176.870 0.004 0.000 1.152 352 L CA 0.744 55.510 54.840 -0.123 0.000 0.855 352 L CB -0.266 41.696 42.059 -0.161 0.000 1.129 352 L HN 0.795 nan 8.230 nan 0.000 0.463 353 Y N 1.913 122.258 120.300 0.075 0.000 3.825 353 Y HA -0.244 4.306 4.550 0.000 0.000 0.221 353 Y C 1.604 177.592 175.900 0.146 0.000 1.195 353 Y CA 0.888 59.033 58.100 0.076 0.000 1.699 353 Y CB -2.073 36.400 38.460 0.021 0.000 1.531 353 Y HN 0.706 nan 8.280 nan 0.000 0.640 354 G N -0.228 108.736 108.800 0.272 0.000 2.494 354 G HA2 -0.018 3.942 3.960 0.000 0.000 0.216 354 G HA3 -0.018 3.942 3.960 0.000 0.000 0.216 354 G C 0.872 175.991 174.900 0.364 0.000 1.140 354 G CA 0.341 45.635 45.100 0.323 0.000 0.801 354 G HN 0.447 nan 8.290 nan 0.000 0.536 355 R N -1.474 119.213 120.500 0.312 0.000 3.418 355 R HA -0.181 4.159 4.340 0.000 0.000 0.274 355 R C -0.347 176.090 176.300 0.228 0.000 1.108 355 R CA 0.218 56.475 56.100 0.261 0.000 0.741 355 R CB -2.468 28.010 30.300 0.297 0.000 1.223 355 R HN 0.374 nan 8.270 nan 0.000 0.434 356 F N 1.191 121.213 119.950 0.119 0.000 2.571 356 F HA 0.225 4.752 4.527 0.000 0.000 0.390 356 F C 1.472 177.314 175.800 0.069 0.000 1.043 356 F CA 1.875 59.931 58.000 0.093 0.000 1.164 356 F CB 0.522 39.575 39.000 0.089 0.000 1.049 356 F HN 0.418 nan 8.300 nan 0.000 0.552 357 G N 2.883 111.430 108.800 -0.423 0.000 2.168 357 G HA2 -0.305 3.655 3.960 0.000 0.000 0.197 357 G HA3 -0.305 3.655 3.960 0.000 0.000 0.197 357 G C 1.032 175.869 174.900 -0.104 0.000 0.997 357 G CA 0.433 45.352 45.100 -0.301 0.000 0.658 357 G HN 1.169 nan 8.290 nan 0.000 0.513 358 S N -0.781 114.863 115.700 -0.093 0.000 2.481 358 S HA 0.609 5.079 4.470 0.000 0.000 0.231 358 S C 1.078 175.673 174.600 -0.009 0.000 0.996 358 S CA 1.540 59.709 58.200 -0.050 0.000 0.942 358 S CB 0.284 63.431 63.200 -0.089 0.000 0.768 358 S HN 2.071 nan 8.310 nan 0.000 0.520 359 A N 0.435 123.190 122.820 -0.109 0.000 2.455 359 A HA 0.784 5.104 4.320 0.000 0.000 0.300 359 A C -1.079 176.427 177.584 -0.129 0.000 1.040 359 A CA -0.825 51.129 52.037 -0.138 0.000 0.697 359 A CB 1.109 19.998 19.000 -0.185 0.000 1.265 359 A HN 0.403 nan 8.150 nan 0.000 0.407 360 I N 1.676 122.187 120.570 -0.099 0.000 2.500 360 I HA 0.556 4.726 4.170 0.000 0.000 0.286 360 I C 0.108 176.198 176.117 -0.044 0.000 1.063 360 I CA -0.386 60.866 61.300 -0.079 0.000 1.062 360 I CB 2.070 40.026 38.000 -0.074 0.000 1.223 360 I HN 0.753 nan 8.210 nan 0.000 0.435 361 A N 7.765 130.572 122.820 -0.022 0.000 2.304 361 A HA 0.833 5.153 4.320 0.000 0.000 0.314 361 A C -2.735 174.869 177.584 0.033 0.000 1.187 361 A CA -1.713 50.328 52.037 0.007 0.000 0.810 361 A CB 0.696 19.704 19.000 0.013 0.000 1.183 361 A HN 0.316 nan 8.150 nan 0.000 0.487 362 P HA 0.183 nan 4.420 nan 0.000 0.267 362 P C 0.270 177.608 177.300 0.062 0.000 1.205 362 P CA 0.126 63.256 63.100 0.050 0.000 0.765 362 P CB 0.597 32.322 31.700 0.041 0.000 0.828 363 L N 1.970 123.231 121.223 0.063 0.000 2.616 363 L HA 0.262 4.603 4.340 0.000 0.000 0.229 363 L C 1.430 178.324 176.870 0.041 0.000 1.110 363 L CA 0.361 55.238 54.840 0.062 0.000 0.884 363 L CB -0.609 41.489 42.059 0.065 0.000 1.115 363 L HN 0.677 nan 8.230 nan 0.000 0.481 364 G N 0.826 109.650 108.800 0.039 0.000 2.562 364 G HA2 -0.308 3.652 3.960 0.000 0.000 0.250 364 G HA3 -0.308 3.652 3.960 0.000 0.000 0.250 364 G C -0.432 174.487 174.900 0.032 0.000 1.269 364 G CA -0.135 44.977 45.100 0.021 0.000 0.919 364 G HN 0.220 nan 8.290 nan 0.000 0.574 365 D N 0.703 121.107 120.400 0.008 0.000 2.479 365 D HA 0.408 5.048 4.640 0.000 0.000 0.218 365 D C 1.540 177.863 176.300 0.038 0.000 1.131 365 D CA -0.422 53.591 54.000 0.022 0.000 0.916 365 D CB 0.907 41.695 40.800 -0.019 0.000 1.022 365 D HN 0.421 nan 8.370 nan 0.000 0.515 366 L N 3.633 124.903 121.223 0.077 0.000 2.141 366 L HA -0.080 4.260 4.340 0.000 0.000 0.209 366 L C 1.336 178.330 176.870 0.207 0.000 1.094 366 L CA 1.721 56.632 54.840 0.117 0.000 0.763 366 L CB 0.096 42.207 42.059 0.087 0.000 0.908 366 L HN 0.365 nan 8.230 nan 0.000 0.437 367 D N -2.410 118.095 120.400 0.175 0.000 2.433 367 D HA -0.005 4.635 4.640 0.000 0.000 0.211 367 D C 0.106 176.554 176.300 0.246 0.000 1.114 367 D CA -0.227 53.917 54.000 0.240 0.000 0.837 367 D CB 0.064 40.948 40.800 0.139 0.000 0.984 367 D HN 0.125 nan 8.370 nan 0.000 0.505 368 R N 1.489 122.057 120.500 0.113 0.000 3.422 368 R HA -0.136 4.204 4.340 0.000 0.000 0.267 368 R C 0.141 176.472 176.300 0.052 0.000 1.074 368 R CA 1.110 57.213 56.100 0.006 0.000 0.718 368 R CB -2.765 27.476 30.300 -0.099 0.000 1.157 368 R HN 0.582 nan 8.270 nan 0.000 0.440 369 D N -0.998 119.452 120.400 0.084 0.000 2.339 369 D HA 0.101 4.741 4.640 0.000 0.000 0.217 369 D C 1.261 177.556 176.300 -0.008 0.000 1.050 369 D CA 0.949 55.010 54.000 0.101 0.000 0.856 369 D CB 0.309 41.219 40.800 0.184 0.000 0.922 369 D HN 0.472 nan 8.370 nan 0.000 0.518 370 G N -0.505 108.234 108.800 -0.103 0.000 2.253 370 G HA2 -0.193 3.767 3.960 0.000 0.000 0.209 370 G HA3 -0.193 3.767 3.960 0.000 0.000 0.209 370 G C -0.343 174.279 174.900 -0.463 0.000 0.997 370 G CA -0.257 44.645 45.100 -0.331 0.000 0.640 370 G HN 0.301 nan 8.290 nan 0.000 0.496 371 Y N 1.485 121.798 120.300 0.022 0.000 2.393 371 Y HA 0.641 5.191 4.550 0.000 0.000 0.341 371 Y C 0.383 176.301 175.900 0.029 0.000 0.988 371 Y CA -1.324 56.792 58.100 0.026 0.000 1.078 371 Y CB 1.127 39.608 38.460 0.035 0.000 1.203 371 Y HN -0.004 nan 8.280 nan 0.000 0.453 372 N N 2.803 121.612 118.700 0.181 0.000 2.482 372 N HA 0.139 4.879 4.740 0.000 0.000 0.260 372 N C -1.006 174.581 175.510 0.129 0.000 1.236 372 N CA 0.064 53.186 53.050 0.120 0.000 0.938 372 N CB 0.664 39.209 38.487 0.097 0.000 1.128 372 N HN 0.619 nan 8.380 nan 0.000 0.448 373 D N 0.428 120.890 120.400 0.104 0.000 2.477 373 D HA 0.522 5.162 4.640 0.000 0.000 0.234 373 D C 0.272 176.632 176.300 0.100 0.000 1.048 373 D CA -0.381 53.684 54.000 0.108 0.000 0.959 373 D CB 2.012 42.871 40.800 0.098 0.000 1.408 373 D HN 0.447 nan 8.370 nan 0.000 0.496 374 I N -2.976 117.669 120.570 0.125 0.000 3.002 374 I HA 0.854 5.024 4.170 0.000 0.000 0.310 374 I C -1.177 175.026 176.117 0.144 0.000 1.087 374 I CA -1.185 60.183 61.300 0.114 0.000 1.017 374 I CB 2.286 40.341 38.000 0.092 0.000 1.226 374 I HN 0.342 nan 8.210 nan 0.000 0.443 375 A N 3.801 126.679 122.820 0.096 0.000 2.343 375 A HA 0.806 5.126 4.320 0.000 0.000 0.316 375 A C -0.921 176.694 177.584 0.050 0.000 1.104 375 A CA -0.603 51.483 52.037 0.082 0.000 0.768 375 A CB 1.599 20.614 19.000 0.024 0.000 1.213 375 A HN 0.552 nan 8.150 nan 0.000 0.456 376 V N 1.228 121.187 119.914 0.075 0.000 2.628 376 V HA 0.773 4.893 4.120 0.000 0.000 0.306 376 V C 0.402 176.431 176.094 -0.109 0.000 1.045 376 V CA -0.316 61.932 62.300 -0.087 0.000 0.905 376 V CB 1.748 33.446 31.823 -0.209 0.000 0.997 376 V HN 1.253 nan 8.190 nan 0.000 0.436 377 A N 3.048 125.758 122.820 -0.183 0.000 2.330 377 A HA 0.907 5.227 4.320 0.000 0.000 0.327 377 A C -0.070 177.472 177.584 -0.069 0.000 1.155 377 A CA -0.329 51.646 52.037 -0.104 0.000 0.803 377 A CB 1.496 20.422 19.000 -0.124 0.000 1.208 377 A HN 1.423 nan 8.150 nan 0.000 0.477 378 A N 3.863 126.723 122.820 0.067 0.000 2.709 378 A HA 0.664 4.984 4.320 0.000 0.000 0.332 378 A C -2.182 175.471 177.584 0.115 0.000 1.241 378 A CA -1.371 50.761 52.037 0.157 0.000 0.782 378 A CB 0.431 19.611 19.000 0.299 0.000 1.109 378 A HN 0.445 nan 8.150 nan 0.000 0.472 379 P HA -0.144 nan 4.420 nan 0.000 0.220 379 P C -0.117 176.853 177.300 -0.550 0.000 1.144 379 P CA 1.746 64.681 63.100 -0.275 0.000 0.800 379 P CB -0.064 31.396 31.700 -0.399 0.000 0.772 380 Y N -2.452 117.964 120.300 0.193 0.000 2.721 380 Y HA 0.454 5.004 4.550 0.000 0.000 0.251 380 Y C 1.403 177.402 175.900 0.166 0.000 1.136 380 Y CA -0.796 57.404 58.100 0.167 0.000 1.142 380 Y CB -0.007 38.544 38.460 0.152 0.000 1.212 380 Y HN -0.198 nan 8.280 nan 0.000 0.565 381 G N -0.098 108.850 108.800 0.247 0.000 2.557 381 G HA2 0.533 4.493 3.960 0.000 0.000 0.292 381 G HA3 0.533 4.493 3.960 0.000 0.000 0.292 381 G C 0.289 175.286 174.900 0.161 0.000 1.237 381 G CA -0.017 45.210 45.100 0.212 0.000 0.978 381 G HN 0.618 nan 8.290 nan 0.000 0.498 382 G N -1.064 107.812 108.800 0.126 0.000 2.705 382 G HA2 -0.032 3.928 3.960 0.000 0.000 0.686 382 G HA3 -0.032 3.928 3.960 0.000 0.000 0.686 382 G C -1.534 173.412 174.900 0.078 0.000 1.285 382 G CA -0.082 45.070 45.100 0.086 0.000 0.800 382 G HN 0.531 nan 8.290 nan 0.000 0.611 383 P HA -0.142 nan 4.420 nan 0.000 0.217 383 P C 2.136 179.468 177.300 0.054 0.000 1.148 383 P CA 2.456 65.584 63.100 0.047 0.000 0.828 383 P CB -0.001 31.717 31.700 0.030 0.000 0.783 384 S N -2.204 113.527 115.700 0.052 0.000 2.414 384 S HA 0.133 4.603 4.470 0.000 0.000 0.227 384 S C 1.843 176.493 174.600 0.083 0.000 1.022 384 S CA 0.924 59.157 58.200 0.054 0.000 0.958 384 S CB -1.297 61.925 63.200 0.037 0.000 0.797 384 S HN 0.291 nan 8.310 nan 0.000 0.493 385 G N 1.473 110.339 108.800 0.110 0.000 2.157 385 G HA2 -0.254 3.706 3.960 0.000 0.000 0.239 385 G HA3 -0.254 3.706 3.960 0.000 0.000 0.239 385 G C 0.868 175.881 174.900 0.189 0.000 0.982 385 G CA 0.247 45.447 45.100 0.167 0.000 0.650 385 G HN 0.493 nan 8.290 nan 0.000 0.527 386 R N 0.493 121.068 120.500 0.124 0.000 2.235 386 R HA 0.368 4.708 4.340 0.000 0.000 0.213 386 R C 1.387 177.754 176.300 0.113 0.000 1.059 386 R CA 1.039 57.202 56.100 0.105 0.000 0.997 386 R CB 0.021 30.345 30.300 0.040 0.000 0.884 386 R HN 1.509 nan 8.270 nan 0.000 0.462 387 G N 0.384 109.264 108.800 0.134 0.000 2.528 387 G HA2 -0.099 3.861 3.960 0.000 0.000 0.681 387 G HA3 -0.099 3.861 3.960 0.000 0.000 0.681 387 G C -1.380 173.685 174.900 0.274 0.000 1.340 387 G CA -0.921 44.307 45.100 0.212 0.000 0.855 387 G HN 0.087 nan 8.290 nan 0.000 0.649 388 Q N -1.179 118.822 119.800 0.334 0.000 2.456 388 Q HA 0.724 5.064 4.340 0.000 0.000 0.284 388 Q C -1.135 175.043 176.000 0.297 0.000 1.061 388 Q CA -1.091 54.901 55.803 0.315 0.000 0.799 388 Q CB 3.314 32.170 28.738 0.196 0.000 1.445 388 Q HN 0.742 nan 8.270 nan 0.000 0.411 389 V N 2.562 122.624 119.914 0.247 0.000 2.524 389 V HA 0.399 4.519 4.120 0.000 0.000 0.297 389 V C -1.299 174.820 176.094 0.042 0.000 1.035 389 V CA -0.647 61.709 62.300 0.093 0.000 0.867 389 V CB 1.451 33.271 31.823 -0.006 0.000 1.004 389 V HN 0.523 nan 8.190 nan 0.000 0.426 390 L N 5.616 126.875 121.223 0.060 0.000 2.307 390 L HA 0.649 4.989 4.340 0.000 0.000 0.284 390 L C -0.057 176.738 176.870 -0.125 0.000 1.023 390 L CA -0.336 54.478 54.840 -0.043 0.000 0.810 390 L CB 1.797 43.887 42.059 0.051 0.000 1.231 390 L HN 0.372 nan 8.230 nan 0.000 0.423 391 V N 3.171 122.923 119.914 -0.270 0.000 2.481 391 V HA 0.462 4.582 4.120 0.000 0.000 0.286 391 V C -0.518 175.329 176.094 -0.410 0.000 1.042 391 V CA -0.387 61.800 62.300 -0.189 0.000 0.928 391 V CB 1.135 32.886 31.823 -0.120 0.000 0.986 391 V HN 0.400 nan 8.190 nan 0.000 0.462 392 F N 4.179 124.140 119.950 0.019 0.000 2.493 392 F HA 0.595 5.122 4.527 0.000 0.000 0.329 392 F C 0.019 175.828 175.800 0.016 0.000 1.126 392 F CA -0.575 57.437 58.000 0.019 0.000 0.937 392 F CB 1.502 40.518 39.000 0.028 0.000 1.146 392 F HN 0.200 nan 8.300 nan 0.000 0.442 393 L N 2.528 123.841 121.223 0.150 0.000 2.399 393 L HA 0.609 4.949 4.340 0.000 0.000 0.266 393 L C 0.845 177.771 176.870 0.094 0.000 1.114 393 L CA -0.801 54.100 54.840 0.101 0.000 0.804 393 L CB 0.981 43.072 42.059 0.052 0.000 1.146 393 L HN 0.762 nan 8.230 nan 0.000 0.451 394 G N 1.207 110.066 108.800 0.098 0.000 2.503 394 G HA2 0.482 4.442 3.960 0.000 0.000 0.257 394 G HA3 0.482 4.442 3.960 0.000 0.000 0.257 394 G C -0.702 174.116 174.900 -0.135 0.000 1.214 394 G CA -0.234 44.896 45.100 0.050 0.000 0.839 394 G HN 0.731 nan 8.290 nan 0.000 0.559 395 Q N -0.648 118.920 119.800 -0.387 0.000 2.687 395 Q HA 0.507 4.847 4.340 0.000 0.000 0.305 395 Q C 0.754 176.202 176.000 -0.919 0.000 1.006 395 Q CA -0.616 54.761 55.803 -0.709 0.000 0.763 395 Q CB 0.922 29.486 28.738 -0.290 0.000 1.506 395 Q HN 0.273 nan 8.270 nan 0.000 0.459 396 S N -0.074 115.203 115.700 -0.705 0.000 2.399 396 S HA -0.132 4.338 4.470 0.000 0.000 0.231 396 S C 0.497 175.015 174.600 -0.137 0.000 1.022 396 S CA 1.731 59.742 58.200 -0.314 0.000 0.983 396 S CB -0.209 62.937 63.200 -0.090 0.000 0.803 396 S HN 0.564 nan 8.310 nan 0.000 0.480 397 E N 0.340 120.465 120.200 -0.126 0.000 2.496 397 E HA 0.397 4.747 4.350 0.000 0.000 0.200 397 E C 1.050 177.620 176.600 -0.050 0.000 1.016 397 E CA 0.105 56.475 56.400 -0.050 0.000 0.962 397 E CB 0.538 30.228 29.700 -0.016 0.000 1.071 397 E HN 0.452 nan 8.360 nan 0.000 0.457 398 G N 1.032 109.786 108.800 -0.077 0.000 2.591 398 G HA2 -0.190 3.770 3.960 0.000 0.000 0.226 398 G HA3 -0.190 3.770 3.960 0.000 0.000 0.226 398 G C -0.581 174.288 174.900 -0.052 0.000 1.598 398 G CA -0.704 44.370 45.100 -0.043 0.000 1.349 398 G HN 0.113 nan 8.290 nan 0.000 0.493 399 L N 1.010 122.209 121.223 -0.040 0.000 2.333 399 L HA 0.689 5.029 4.340 0.000 0.000 0.263 399 L C 0.208 177.082 176.870 0.006 0.000 1.014 399 L CA -1.331 53.503 54.840 -0.009 0.000 0.820 399 L CB 1.990 44.039 42.059 -0.015 0.000 1.352 399 L HN 0.396 nan 8.230 nan 0.000 0.421 400 R N 0.449 120.991 120.500 0.069 0.000 2.490 400 R HA 0.124 4.464 4.340 0.000 0.000 0.280 400 R C 1.028 177.419 176.300 0.152 0.000 1.077 400 R CA 0.048 56.203 56.100 0.090 0.000 1.065 400 R CB 0.982 31.342 30.300 0.101 0.000 1.003 400 R HN 0.818 nan 8.270 nan 0.000 0.470 401 S N 2.148 117.904 115.700 0.093 0.000 2.406 401 S HA 0.005 4.475 4.470 0.000 0.000 0.228 401 S C 0.777 175.505 174.600 0.213 0.000 1.020 401 S CA 0.464 58.719 58.200 0.091 0.000 0.965 401 S CB 0.270 63.484 63.200 0.023 0.000 0.798 401 S HN 0.350 nan 8.310 nan 0.000 0.488 402 R N 2.535 123.138 120.500 0.171 0.000 2.428 402 R HA 0.503 4.843 4.340 0.000 0.000 0.294 402 R C -2.859 173.468 176.300 0.045 0.000 1.000 402 R CA -2.343 53.830 56.100 0.122 0.000 0.960 402 R CB 0.268 30.590 30.300 0.036 0.000 1.076 402 R HN 0.277 nan 8.270 nan 0.000 0.475 403 P HA 0.079 nan 4.420 nan 0.000 0.278 403 P C 0.318 177.461 177.300 -0.263 0.000 1.238 403 P CA -0.229 62.546 63.100 -0.541 0.000 0.794 403 P CB 0.985 32.277 31.700 -0.680 0.000 0.955 404 S N 0.888 116.444 115.700 -0.241 0.000 2.501 404 S HA 0.033 4.503 4.470 0.000 0.000 0.220 404 S C 0.592 175.111 174.600 -0.135 0.000 0.997 404 S CA 0.144 58.259 58.200 -0.143 0.000 0.919 404 S CB -0.149 62.986 63.200 -0.109 0.000 0.778 404 S HN 0.657 nan 8.310 nan 0.000 0.523 405 Q N 0.065 119.761 119.800 -0.173 0.000 2.378 405 Q HA 0.530 4.870 4.340 0.000 0.000 0.262 405 Q C -2.409 173.503 176.000 -0.146 0.000 0.978 405 Q CA -0.541 55.182 55.803 -0.132 0.000 0.918 405 Q CB 2.233 30.906 28.738 -0.109 0.000 1.415 405 Q HN 0.170 nan 8.270 nan 0.000 0.409 406 V N 5.033 124.886 119.914 -0.102 0.000 2.444 406 V HA 0.468 4.588 4.120 0.000 0.000 0.294 406 V C -0.595 175.468 176.094 -0.052 0.000 1.022 406 V CA -0.589 61.668 62.300 -0.071 0.000 0.850 406 V CB 1.622 33.418 31.823 -0.045 0.000 0.992 406 V HN 0.713 nan 8.190 nan 0.000 0.426 407 L N 4.808 126.008 121.223 -0.039 0.000 2.262 407 L HA 0.515 4.855 4.340 0.000 0.000 0.288 407 L C -0.157 176.746 176.870 0.055 0.000 1.035 407 L CA -0.453 54.367 54.840 -0.035 0.000 0.820 407 L CB 1.021 42.971 42.059 -0.181 0.000 1.204 407 L HN 0.535 nan 8.230 nan 0.000 0.424 408 D N 1.497 121.879 120.400 -0.030 0.000 2.304 408 D HA 0.040 4.680 4.640 0.000 0.000 0.247 408 D C 0.180 176.236 176.300 -0.407 0.000 1.089 408 D CA -0.030 53.902 54.000 -0.113 0.000 0.910 408 D CB 1.887 42.639 40.800 -0.080 0.000 1.199 408 D HN 0.337 nan 8.370 nan 0.000 0.426 409 S N 1.702 117.033 115.700 -0.614 0.000 2.498 409 S HA 0.098 4.568 4.470 0.000 0.000 0.281 409 S C -1.528 172.693 174.600 -0.632 0.000 1.265 409 S CA -1.090 56.431 58.200 -1.130 0.000 1.071 409 S CB 0.593 63.444 63.200 -0.583 0.000 0.894 409 S HN 0.251 nan 8.310 nan 0.000 0.491 410 P HA 0.195 nan 4.420 nan 0.000 0.249 410 P C -0.501 176.430 177.300 -0.614 0.000 1.229 410 P CA 0.082 62.840 63.100 -0.570 0.000 0.788 410 P CB -0.070 31.341 31.700 -0.482 0.000 1.072 411 F N 1.038 120.931 119.950 -0.096 0.000 2.509 411 F HA 0.548 5.075 4.527 0.000 0.000 0.334 411 F C -1.842 173.928 175.800 -0.049 0.000 1.060 411 F CA -2.957 55.012 58.000 -0.052 0.000 0.997 411 F CB -0.618 38.397 39.000 0.026 0.000 1.271 411 F HN -0.297 nan 8.300 nan 0.000 0.488 412 P HA 0.189 nan 4.420 nan 0.000 0.275 412 P C -0.649 176.706 177.300 0.091 0.000 1.266 412 P CA -0.496 62.655 63.100 0.085 0.000 0.793 412 P CB 0.236 31.970 31.700 0.058 0.000 1.074 413 T N 0.368 114.964 114.554 0.070 0.000 2.946 413 T HA 0.319 4.669 4.350 0.000 0.000 0.311 413 T C 1.278 176.030 174.700 0.086 0.000 1.063 413 T CA 1.556 63.707 62.100 0.085 0.000 1.139 413 T CB -0.635 68.275 68.868 0.070 0.000 0.994 413 T HN 0.848 nan 8.240 nan 0.000 0.547 414 G N 1.870 110.747 108.800 0.128 0.000 2.141 414 G HA2 -0.326 3.634 3.960 0.000 0.000 0.242 414 G HA3 -0.326 3.634 3.960 0.000 0.000 0.242 414 G C 1.138 176.046 174.900 0.012 0.000 0.982 414 G CA 0.753 45.926 45.100 0.122 0.000 0.662 414 G HN 1.021 nan 8.290 nan 0.000 0.527 415 S N -0.439 115.261 115.700 0.000 0.000 2.453 415 S HA 0.419 4.889 4.470 0.000 0.000 0.231 415 S C 1.966 176.403 174.600 -0.272 0.000 1.005 415 S CA 1.598 59.740 58.200 -0.096 0.000 0.949 415 S CB -0.124 63.111 63.200 0.058 0.000 0.774 415 S HN 2.379 nan 8.310 nan 0.000 0.510 416 A N 0.131 122.795 122.820 -0.259 0.000 2.869 416 A HA -0.194 4.126 4.320 0.000 0.000 0.280 416 A C 0.113 177.626 177.584 -0.118 0.000 1.458 416 A CA 0.555 52.350 52.037 -0.403 0.000 0.776 416 A CB -2.977 15.572 19.000 -0.751 0.000 1.028 416 A HN 1.053 nan 8.150 nan 0.000 0.547 417 F N 0.586 120.484 119.950 -0.087 0.000 2.569 417 F HA 0.375 4.902 4.527 0.000 0.000 0.395 417 F C 1.368 177.207 175.800 0.065 0.000 1.028 417 F CA 1.497 59.554 58.000 0.095 0.000 1.158 417 F CB -0.104 39.027 39.000 0.218 0.000 1.023 417 F HN 1.633 nan 8.300 nan 0.000 0.547 418 G N 5.039 113.592 108.800 -0.413 0.000 2.134 418 G HA2 -0.362 3.598 3.960 0.000 0.000 0.209 418 G HA3 -0.362 3.598 3.960 0.000 0.000 0.209 418 G C 0.504 175.345 174.900 -0.098 0.000 0.993 418 G CA 0.110 45.006 45.100 -0.340 0.000 0.669 418 G HN 0.769 nan 8.290 nan 0.000 0.519 419 F N 2.130 121.991 119.950 -0.147 0.000 2.367 419 F HA 0.322 4.849 4.527 0.000 0.000 0.298 419 F C 1.447 177.180 175.800 -0.111 0.000 1.094 419 F CA 1.587 59.542 58.000 -0.076 0.000 1.409 419 F CB 0.341 39.361 39.000 0.035 0.000 1.064 419 F HN 0.467 nan 8.300 nan 0.000 0.528 420 S N 0.197 115.872 115.700 -0.043 0.000 2.536 420 S HA 0.721 5.191 4.470 0.000 0.000 0.287 420 S C -1.251 173.281 174.600 -0.114 0.000 1.101 420 S CA -0.735 57.389 58.200 -0.128 0.000 0.950 420 S CB 2.420 65.574 63.200 -0.078 0.000 1.056 420 S HN 0.018 nan 8.310 nan 0.000 0.481 421 L N 1.832 122.985 121.223 -0.117 0.000 2.434 421 L HA 0.755 5.095 4.340 0.000 0.000 0.260 421 L C -0.491 176.340 176.870 -0.065 0.000 0.983 421 L CA -0.507 54.280 54.840 -0.088 0.000 0.820 421 L CB 2.251 44.261 42.059 -0.081 0.000 1.361 421 L HN 0.691 nan 8.230 nan 0.000 0.410 422 R N 0.688 121.161 120.500 -0.045 0.000 2.584 422 R HA 0.841 5.181 4.340 0.000 0.000 0.276 422 R C -0.477 175.976 176.300 0.255 0.000 1.046 422 R CA -0.641 55.475 56.100 0.026 0.000 0.906 422 R CB 2.096 32.289 30.300 -0.178 0.000 1.215 422 R HN 0.835 nan 8.270 nan 0.000 0.449 423 G N -0.390 108.618 108.800 0.346 0.000 3.166 423 G HA2 0.536 4.497 3.960 0.000 0.000 0.267 423 G HA3 0.536 4.497 3.960 0.000 0.000 0.267 423 G C -0.263 174.749 174.900 0.186 0.000 1.256 423 G CA 0.218 45.516 45.100 0.330 0.000 0.859 423 G HN 0.743 nan 8.290 nan 0.000 0.590 424 A N -2.616 120.216 122.820 0.020 0.000 3.201 424 A HA -0.039 4.281 4.320 0.000 0.000 0.260 424 A C 0.170 177.632 177.584 -0.202 0.000 1.222 424 A CA 1.092 53.097 52.037 -0.053 0.000 1.124 424 A CB -2.054 16.951 19.000 0.007 0.000 1.155 424 A HN 1.734 nan 8.150 nan 0.000 0.924 425 V N 0.744 120.390 119.914 -0.446 0.000 2.638 425 V HA 0.542 4.662 4.120 0.000 0.000 0.306 425 V C -0.484 175.263 176.094 -0.579 0.000 1.052 425 V CA -0.285 61.614 62.300 -0.669 0.000 0.885 425 V CB 1.916 32.938 31.823 -1.335 0.000 0.999 425 V HN 0.445 nan 8.190 nan 0.000 0.424 426 D N 3.376 123.560 120.400 -0.360 0.000 2.365 426 D HA 0.249 4.889 4.640 0.000 0.000 0.237 426 D C 0.642 176.767 176.300 -0.292 0.000 1.190 426 D CA 0.082 53.931 54.000 -0.253 0.000 0.867 426 D CB 1.213 41.924 40.800 -0.148 0.000 1.050 426 D HN 0.549 nan 8.370 nan 0.000 0.491 427 I N 2.538 122.888 120.570 -0.367 0.000 2.852 427 I HA -0.086 4.084 4.170 0.000 0.000 0.264 427 I C 0.775 176.532 176.117 -0.600 0.000 1.179 427 I CA 0.621 61.635 61.300 -0.476 0.000 1.480 427 I CB 0.412 38.045 38.000 -0.611 0.000 1.111 427 I HN 0.330 nan 8.210 nan 0.000 0.441 428 D N -1.340 118.800 120.400 -0.434 0.000 2.431 428 D HA -0.009 4.631 4.640 0.000 0.000 0.213 428 D C 0.404 176.701 176.300 -0.004 0.000 1.130 428 D CA -0.047 53.848 54.000 -0.174 0.000 0.834 428 D CB -0.261 40.524 40.800 -0.024 0.000 0.985 428 D HN 0.182 nan 8.370 nan 0.000 0.504 429 D N 1.168 121.544 120.400 -0.040 0.000 2.746 429 D HA -0.208 4.432 4.640 0.000 0.000 0.236 429 D C 0.247 176.583 176.300 0.060 0.000 1.129 429 D CA 1.046 55.052 54.000 0.011 0.000 0.691 429 D CB -1.422 39.398 40.800 0.033 0.000 1.077 429 D HN 0.460 nan 8.370 nan 0.000 0.432 430 N N -0.057 118.693 118.700 0.084 0.000 2.205 430 N HA 0.205 4.945 4.740 0.000 0.000 0.201 430 N C 1.582 177.256 175.510 0.273 0.000 1.128 430 N CA 0.958 54.103 53.050 0.159 0.000 0.867 430 N CB 0.463 39.041 38.487 0.152 0.000 0.996 430 N HN 0.563 nan 8.380 nan 0.000 0.503 431 G N -0.570 108.332 108.800 0.170 0.000 2.176 431 G HA2 -0.236 3.724 3.960 0.000 0.000 0.232 431 G HA3 -0.236 3.724 3.960 0.000 0.000 0.232 431 G C -0.778 174.009 174.900 -0.187 0.000 0.986 431 G CA 0.110 45.240 45.100 0.049 0.000 0.643 431 G HN 0.371 nan 8.290 nan 0.000 0.522 432 Y N 1.405 121.701 120.300 -0.007 0.000 2.376 432 Y HA 0.569 5.119 4.550 0.000 0.000 0.340 432 Y C -2.052 173.812 175.900 -0.061 0.000 0.965 432 Y CA -2.506 55.579 58.100 -0.024 0.000 1.078 432 Y CB 2.294 40.762 38.460 0.014 0.000 1.193 432 Y HN -0.041 nan 8.280 nan 0.000 0.452 433 P HA 0.101 nan 4.420 nan 0.000 0.271 433 P C -0.857 176.444 177.300 0.002 0.000 1.218 433 P CA 0.025 63.099 63.100 -0.042 0.000 0.780 433 P CB 1.533 33.201 31.700 -0.053 0.000 0.901 434 D N 0.876 121.244 120.400 -0.053 0.000 2.525 434 D HA 0.542 5.182 4.640 0.000 0.000 0.249 434 D C -0.645 175.753 176.300 0.163 0.000 1.072 434 D CA -0.244 53.780 54.000 0.040 0.000 1.067 434 D CB 1.296 42.086 40.800 -0.017 0.000 1.282 434 D HN 0.164 nan 8.370 nan 0.000 0.587 435 L N 0.881 122.248 121.223 0.239 0.000 2.410 435 L HA 0.490 4.830 4.340 0.000 0.000 0.270 435 L C -1.133 175.920 176.870 0.305 0.000 0.983 435 L CA -0.625 54.383 54.840 0.280 0.000 0.822 435 L CB 1.384 43.557 42.059 0.190 0.000 1.285 435 L HN 0.374 nan 8.230 nan 0.000 0.409 436 I N 3.105 123.802 120.570 0.211 0.000 2.441 436 I HA 0.788 4.958 4.170 0.000 0.000 0.295 436 I C -1.135 175.022 176.117 0.066 0.000 0.994 436 I CA -0.949 60.417 61.300 0.110 0.000 1.144 436 I CB 1.934 39.882 38.000 -0.087 0.000 1.314 436 I HN 0.266 nan 8.210 nan 0.000 0.445 437 V N 4.684 124.670 119.914 0.119 0.000 2.444 437 V HA 0.640 4.760 4.120 0.000 0.000 0.294 437 V C 0.721 176.844 176.094 0.048 0.000 1.022 437 V CA -0.445 61.860 62.300 0.009 0.000 0.850 437 V CB 1.449 33.227 31.823 -0.076 0.000 0.992 437 V HN 0.988 nan 8.190 nan 0.000 0.426 438 G N 2.847 111.641 108.800 -0.011 0.000 2.444 438 G HA2 0.602 4.562 3.960 0.000 0.000 0.268 438 G HA3 0.602 4.562 3.960 0.000 0.000 0.268 438 G C -0.146 174.795 174.900 0.068 0.000 1.203 438 G CA 0.026 45.157 45.100 0.053 0.000 0.835 438 G HN 1.264 nan 8.290 nan 0.000 0.543 439 A N 1.803 124.667 122.820 0.073 0.000 3.127 439 A HA 0.462 4.782 4.320 0.000 0.000 0.319 439 A C 0.290 177.824 177.584 -0.083 0.000 1.104 439 A CA -0.566 51.455 52.037 -0.027 0.000 0.802 439 A CB -0.028 18.919 19.000 -0.089 0.000 1.193 439 A HN 1.062 nan 8.150 nan 0.000 0.479 440 Y N -0.182 120.124 120.300 0.010 0.000 2.333 440 Y HA 0.074 4.624 4.550 0.000 0.000 0.290 440 Y C 1.668 177.586 175.900 0.030 0.000 1.144 440 Y CA 1.579 59.712 58.100 0.055 0.000 1.228 440 Y CB -0.616 37.922 38.460 0.129 0.000 0.985 440 Y HN 0.375 nan 8.280 nan 0.000 0.542 441 G N 0.422 108.918 108.800 -0.507 0.000 2.448 441 G HA2 -0.098 3.862 3.960 0.000 0.000 0.219 441 G HA3 -0.098 3.862 3.960 0.000 0.000 0.219 441 G C 1.542 176.369 174.900 -0.121 0.000 1.127 441 G CA 0.674 45.606 45.100 -0.280 0.000 0.766 441 G HN 0.660 nan 8.290 nan 0.000 0.552 442 A N 0.148 122.864 122.820 -0.174 0.000 2.348 442 A HA 0.277 4.597 4.320 0.000 0.000 0.224 442 A C 1.083 178.576 177.584 -0.152 0.000 1.227 442 A CA 0.226 52.148 52.037 -0.191 0.000 0.885 442 A CB -0.158 18.602 19.000 -0.399 0.000 0.933 442 A HN 0.262 nan 8.150 nan 0.000 0.506 443 N N 0.143 118.823 118.700 -0.034 0.000 2.727 443 N HA -0.167 4.573 4.740 0.000 0.000 0.249 443 N C -0.402 175.149 175.510 0.069 0.000 1.048 443 N CA 1.413 54.511 53.050 0.080 0.000 0.714 443 N CB -1.148 37.355 38.487 0.025 0.000 0.959 443 N HN 0.806 nan 8.380 nan 0.000 0.544 444 Q N -1.082 118.757 119.800 0.065 0.000 2.565 444 Q HA 0.700 5.041 4.340 0.000 0.000 0.294 444 Q C -0.967 175.193 176.000 0.267 0.000 1.005 444 Q CA -0.833 55.046 55.803 0.126 0.000 0.771 444 Q CB 2.616 31.264 28.738 -0.149 0.000 1.486 444 Q HN 0.018 nan 8.270 nan 0.000 0.422 445 V N 0.668 120.857 119.914 0.458 0.000 2.638 445 V HA 0.738 4.858 4.120 0.000 0.000 0.306 445 V C -0.929 175.466 176.094 0.500 0.000 1.052 445 V CA -0.662 61.893 62.300 0.425 0.000 0.885 445 V CB 1.613 33.668 31.823 0.386 0.000 0.999 445 V HN 0.845 nan 8.190 nan 0.000 0.424 446 A N 4.328 127.423 122.820 0.460 0.000 2.312 446 A HA 0.893 5.213 4.320 0.000 0.000 0.328 446 A C -0.760 176.861 177.584 0.062 0.000 1.158 446 A CA -0.533 51.629 52.037 0.208 0.000 0.821 446 A CB 1.446 20.633 19.000 0.311 0.000 1.170 446 A HN 0.754 nan 8.150 nan 0.000 0.490 447 V N 2.373 122.191 119.914 -0.160 0.000 2.443 447 V HA 0.342 4.462 4.120 0.000 0.000 0.293 447 V C -1.403 174.562 176.094 -0.214 0.000 1.021 447 V CA -0.344 61.949 62.300 -0.012 0.000 0.848 447 V CB 0.773 32.734 31.823 0.231 0.000 0.998 447 V HN 0.768 nan 8.190 nan 0.000 0.424 448 Y N 3.484 123.835 120.300 0.085 0.000 2.341 448 Y HA 0.651 5.201 4.550 0.000 0.000 0.337 448 Y C 0.648 176.577 175.900 0.049 0.000 1.014 448 Y CA -0.607 57.529 58.100 0.060 0.000 1.111 448 Y CB 1.525 40.023 38.460 0.064 0.000 1.194 448 Y HN 0.460 nan 8.280 nan 0.000 0.462 449 R N 1.628 122.226 120.500 0.164 0.000 2.532 449 R HA 0.738 5.078 4.340 0.000 0.000 0.295 449 R C -0.678 175.669 176.300 0.079 0.000 0.968 449 R CA -0.985 55.168 56.100 0.087 0.000 0.916 449 R CB 1.452 31.793 30.300 0.068 0.000 1.124 449 R HN 0.784 nan 8.270 nan 0.000 0.463 450 A N 3.096 125.949 122.820 0.055 0.000 2.362 450 A HA 0.169 4.489 4.320 0.000 0.000 0.276 450 A C -0.210 177.320 177.584 -0.089 0.000 1.153 450 A CA -0.343 51.707 52.037 0.021 0.000 0.813 450 A CB 0.412 19.471 19.000 0.098 0.000 1.081 450 A HN 0.682 nan 8.150 nan 0.000 0.507 451 Q N 2.204 121.914 119.800 -0.149 0.000 2.260 451 Q HA 0.319 4.659 4.340 0.000 0.000 0.242 451 Q C -2.351 173.327 176.000 -0.537 0.000 0.932 451 Q CA -1.787 53.882 55.803 -0.224 0.000 0.891 451 Q CB 0.510 29.178 28.738 -0.116 0.000 1.222 451 Q HN 0.471 nan 8.270 nan 0.000 0.453 452 P HA -0.015 nan 4.420 nan 0.000 0.268 452 P C -1.063 176.047 177.300 -0.317 0.000 1.205 452 P CA 0.070 62.768 63.100 -0.670 0.000 0.771 452 P CB 0.527 32.105 31.700 -0.203 0.000 0.858 453 V N 4.961 124.780 119.914 -0.158 0.000 2.328 453 V HA 0.149 4.269 4.120 0.000 0.000 0.278 453 V C 0.163 176.316 176.094 0.097 0.000 1.021 453 V CA -0.543 61.798 62.300 0.069 0.000 0.838 453 V CB 1.580 33.539 31.823 0.227 0.000 0.999 453 V HN 0.227 nan 8.190 nan 0.000 0.447 454 V N 5.616 125.552 119.914 0.037 0.000 2.385 454 V HA 0.306 4.426 4.120 0.000 0.000 0.269 454 V C 0.354 176.381 176.094 -0.111 0.000 1.043 454 V CA -0.665 61.628 62.300 -0.012 0.000 0.906 454 V CB 1.268 33.083 31.823 -0.015 0.000 0.995 454 V HN 0.812 nan 8.190 nan 0.000 0.467 455 K N 4.536 124.857 120.400 -0.132 0.000 2.250 455 K HA 0.602 4.922 4.320 0.000 0.000 0.280 455 K C 0.145 176.666 176.600 -0.131 0.000 1.098 455 K CA -0.338 55.806 56.287 -0.239 0.000 0.916 455 K CB 0.605 33.005 32.500 -0.166 0.000 1.209 455 K HN 0.828 nan 8.250 nan 0.000 0.461 456 A N 2.908 125.652 122.820 -0.127 0.000 2.363 456 A HA 0.322 4.642 4.320 0.000 0.000 0.270 456 A C -0.334 177.225 177.584 -0.042 0.000 1.121 456 A CA -0.455 51.546 52.037 -0.059 0.000 0.800 456 A CB 0.483 19.462 19.000 -0.035 0.000 1.052 456 A HN 0.758 nan 8.150 nan 0.000 0.493 457 S N 0.848 116.534 115.700 -0.023 0.000 2.500 457 S HA 0.743 5.213 4.470 0.000 0.000 0.301 457 S C -0.475 174.121 174.600 -0.007 0.000 1.092 457 S CA -0.208 57.985 58.200 -0.012 0.000 1.030 457 S CB 1.138 64.333 63.200 -0.008 0.000 1.031 457 S HN 1.853 nan 8.310 nan 0.000 0.483 458 V N -0.058 119.853 119.914 -0.006 0.000 2.876 458 V HA 0.825 4.945 4.120 0.000 0.000 0.312 458 V C -0.895 175.190 176.094 -0.015 0.000 1.085 458 V CA -0.636 61.657 62.300 -0.012 0.000 0.945 458 V CB 1.325 33.137 31.823 -0.019 0.000 1.017 458 V HN 1.120 nan 8.190 nan 0.000 0.428 459 Q N 2.128 121.918 119.800 -0.016 0.000 2.391 459 Q HA 0.738 5.078 4.340 0.000 0.000 0.279 459 Q C -2.585 173.406 176.000 -0.015 0.000 1.028 459 Q CA -0.828 54.966 55.803 -0.014 0.000 0.836 459 Q CB 2.957 31.691 28.738 -0.007 0.000 1.414 459 Q HN 0.863 nan 8.270 nan 0.000 0.397 460 L N 3.914 125.128 121.223 -0.014 0.000 2.482 460 L HA 0.536 4.876 4.340 0.000 0.000 0.269 460 L C -2.008 174.864 176.870 0.003 0.000 0.967 460 L CA -0.122 54.712 54.840 -0.009 0.000 0.851 460 L CB 1.813 43.856 42.059 -0.026 0.000 1.242 460 L HN 0.647 nan 8.230 nan 0.000 0.404 461 L N 5.649 126.881 121.223 0.015 0.000 2.325 461 L HA 0.826 5.166 4.340 0.000 0.000 0.281 461 L C -0.621 176.276 176.870 0.044 0.000 1.004 461 L CA -0.787 54.067 54.840 0.023 0.000 0.823 461 L CB 1.906 43.977 42.059 0.021 0.000 1.236 461 L HN 0.419 nan 8.230 nan 0.000 0.415 462 V N 2.978 122.919 119.914 0.045 0.000 3.159 462 V HA 0.366 4.486 4.120 0.000 0.000 0.308 462 V C -0.719 175.395 176.094 0.033 0.000 1.190 462 V CA -0.519 61.826 62.300 0.074 0.000 1.037 462 V CB 2.818 34.692 31.823 0.085 0.000 1.060 462 V HN 0.813 nan 8.190 nan 0.000 0.437 463 Q N 1.814 121.632 119.800 0.029 0.000 2.395 463 Q HA 0.104 4.444 4.340 0.000 0.000 0.271 463 Q C 0.347 176.296 176.000 -0.085 0.000 1.026 463 Q CA 0.524 56.313 55.803 -0.023 0.000 0.900 463 Q CB 0.585 29.297 28.738 -0.045 0.000 1.266 463 Q HN 0.851 nan 8.270 nan 0.000 0.430 464 D N -0.375 119.990 120.400 -0.058 0.000 2.317 464 D HA -0.076 4.564 4.640 0.000 0.000 0.211 464 D C -0.058 176.100 176.300 -0.237 0.000 0.966 464 D CA 0.454 54.399 54.000 -0.092 0.000 0.876 464 D CB 0.292 41.130 40.800 0.064 0.000 0.927 464 D HN 0.319 nan 8.370 nan 0.000 0.519 465 S N -0.788 114.805 115.700 -0.177 0.000 2.533 465 S HA 0.601 5.071 4.470 0.000 0.000 0.271 465 S C -1.000 173.490 174.600 -0.183 0.000 1.143 465 S CA -1.107 56.970 58.200 -0.205 0.000 0.891 465 S CB 1.502 64.650 63.200 -0.087 0.000 1.105 465 S HN 0.109 nan 8.310 nan 0.000 0.468 466 L N 2.416 123.513 121.223 -0.209 0.000 2.341 466 L HA 0.589 4.929 4.340 0.000 0.000 0.278 466 L C -0.536 176.285 176.870 -0.081 0.000 1.005 466 L CA -0.829 53.893 54.840 -0.196 0.000 0.818 466 L CB 1.747 43.605 42.059 -0.334 0.000 1.259 466 L HN 0.717 nan 8.230 nan 0.000 0.418 467 N N 3.811 122.494 118.700 -0.028 0.000 2.501 467 N HA 0.307 5.047 4.740 0.000 0.000 0.245 467 N C -2.028 173.504 175.510 0.036 0.000 0.974 467 N CA -2.079 50.975 53.050 0.008 0.000 0.941 467 N CB 1.926 40.423 38.487 0.016 0.000 1.122 467 N HN 0.207 nan 8.380 nan 0.000 0.507 468 P HA -0.078 nan 4.420 nan 0.000 0.216 468 P C 0.721 178.055 177.300 0.056 0.000 1.150 468 P CA 1.074 64.215 63.100 0.068 0.000 0.837 468 P CB 0.238 31.972 31.700 0.057 0.000 0.786 469 A N -0.986 121.856 122.820 0.037 0.000 2.216 469 A HA -0.003 4.317 4.320 0.000 0.000 0.214 469 A C 0.925 178.530 177.584 0.035 0.000 1.160 469 A CA 0.767 52.822 52.037 0.030 0.000 0.725 469 A CB -0.882 18.130 19.000 0.020 0.000 0.784 469 A HN 0.089 nan 8.150 nan 0.000 0.472 470 V N 1.304 121.244 119.914 0.044 0.000 2.311 470 V HA 0.216 4.336 4.120 0.000 0.000 0.275 470 V C -0.330 175.802 176.094 0.062 0.000 1.022 470 V CA -0.425 61.903 62.300 0.046 0.000 0.830 470 V CB 0.933 32.783 31.823 0.045 0.000 1.012 470 V HN 0.327 nan 8.190 nan 0.000 0.452 471 K N 3.241 123.673 120.400 0.053 0.000 2.464 471 K HA 0.443 4.763 4.320 0.000 0.000 0.252 471 K C 0.306 176.931 176.600 0.041 0.000 1.000 471 K CA -0.268 56.053 56.287 0.057 0.000 0.951 471 K CB 1.523 34.052 32.500 0.049 0.000 1.183 471 K HN 0.568 nan 8.250 nan 0.000 0.445 472 S N 0.529 116.257 115.700 0.047 0.000 2.512 472 S HA 0.097 4.567 4.470 0.000 0.000 0.216 472 S C 0.462 175.073 174.600 0.018 0.000 1.006 472 S CA -0.294 57.925 58.200 0.032 0.000 0.915 472 S CB 0.254 63.478 63.200 0.039 0.000 0.824 472 S HN 0.565 nan 8.310 nan 0.000 0.497 473 c N 1.872 120.481 118.600 0.015 0.000 2.505 473 c HA 0.883 5.453 4.570 0.000 0.000 0.358 473 c C 0.091 174.155 174.090 -0.044 0.000 1.226 473 c CA -0.925 55.395 56.329 -0.016 0.000 1.900 473 c CB 1.318 43.815 42.510 -0.021 0.000 2.306 473 c HN 0.357 nan 8.230 nan 0.000 0.512 474 V N -0.023 119.848 119.914 -0.071 0.000 2.789 474 V HA 0.574 4.694 4.120 0.000 0.000 0.311 474 V C -0.619 175.387 176.094 -0.148 0.000 1.073 474 V CA -0.759 61.484 62.300 -0.095 0.000 0.921 474 V CB 1.235 33.020 31.823 -0.062 0.000 1.009 474 V HN 0.757 nan 8.190 nan 0.000 0.426 475 L N 4.184 125.288 121.223 -0.199 0.000 2.540 475 L HA 0.249 4.589 4.340 0.000 0.000 0.276 475 L C -1.971 174.818 176.870 -0.135 0.000 1.212 475 L CA -0.981 53.719 54.840 -0.234 0.000 0.893 475 L CB 0.540 42.453 42.059 -0.243 0.000 1.138 475 L HN 0.483 nan 8.230 nan 0.000 0.491 476 P HA -0.053 nan 4.420 nan 0.000 0.266 476 P C -0.012 177.254 177.300 -0.057 0.000 1.193 476 P CA 0.265 63.322 63.100 -0.073 0.000 0.770 476 P CB 0.531 32.195 31.700 -0.061 0.000 0.836 477 Q N -2.302 117.473 119.800 -0.042 0.000 2.755 477 Q HA -0.255 4.085 4.340 0.000 0.000 0.190 477 Q C 0.789 176.769 176.000 -0.033 0.000 2.840 477 Q CA 2.253 58.037 55.803 -0.032 0.000 0.265 477 Q CB -2.491 26.230 28.738 -0.028 0.000 0.240 477 Q HN 0.720 nan 8.270 nan 0.000 0.447 478 T N -0.739 113.790 114.554 -0.041 0.000 2.753 478 T HA 0.447 4.797 4.350 0.000 0.000 0.309 478 T C 0.268 174.942 174.700 -0.043 0.000 1.043 478 T CA -0.263 61.814 62.100 -0.039 0.000 0.964 478 T CB 0.871 69.713 68.868 -0.043 0.000 1.206 478 T HN 0.264 nan 8.240 nan 0.000 0.528 479 K N 0.657 121.034 120.400 -0.038 0.000 3.253 479 K HA 0.254 4.574 4.320 0.000 0.000 0.174 479 K C -0.960 175.618 176.600 -0.037 0.000 1.071 479 K CA -0.335 55.930 56.287 -0.037 0.000 0.836 479 K CB 0.945 33.430 32.500 -0.025 0.000 0.922 479 K HN 0.537 nan 8.250 nan 0.000 0.565 480 T N 3.034 117.557 114.554 -0.052 0.000 2.762 480 T HA 0.234 4.584 4.350 0.000 0.000 0.303 480 T C -2.520 172.148 174.700 -0.054 0.000 0.977 480 T CA -1.743 60.330 62.100 -0.045 0.000 0.961 480 T CB 0.828 69.667 68.868 -0.049 0.000 0.944 480 T HN 0.005 nan 8.240 nan 0.000 0.481 481 P HA 0.165 nan 4.420 nan 0.000 0.264 481 P C -0.689 176.608 177.300 -0.005 0.000 1.183 481 P CA -0.212 62.878 63.100 -0.016 0.000 0.763 481 P CB 0.388 32.090 31.700 0.003 0.000 0.807 482 V N -0.180 119.733 119.914 -0.002 0.000 2.888 482 V HA 0.518 4.638 4.120 0.000 0.000 0.309 482 V C -0.143 176.021 176.094 0.117 0.000 1.114 482 V CA -0.907 61.427 62.300 0.057 0.000 0.940 482 V CB 2.035 33.821 31.823 -0.061 0.000 1.021 482 V HN 0.378 nan 8.190 nan 0.000 0.426 483 S N 3.231 119.045 115.700 0.189 0.000 2.423 483 S HA 0.390 4.860 4.470 0.000 0.000 0.302 483 S C 0.232 175.011 174.600 0.298 0.000 1.143 483 S CA -0.202 58.118 58.200 0.200 0.000 1.080 483 S CB -1.185 62.123 63.200 0.180 0.000 1.081 483 S HN 1.448 nan 8.310 nan 0.000 0.522 484 c N 4.511 123.259 118.600 0.247 0.000 2.349 484 c HA 1.051 5.621 4.570 0.000 0.000 0.361 484 c C -0.592 173.694 174.090 0.326 0.000 1.189 484 c CA -1.211 55.267 56.329 0.249 0.000 2.155 484 c CB -0.145 42.431 42.510 0.109 0.000 2.336 484 c HN 0.816 nan 8.230 nan 0.000 0.540 485 F N -0.770 119.221 119.950 0.069 0.000 2.650 485 F HA 0.561 5.088 4.527 -0.000 0.000 0.310 485 F C -0.953 174.867 175.800 0.033 0.000 1.112 485 F CA -1.146 56.878 58.000 0.039 0.000 0.986 485 F CB 0.148 39.161 39.000 0.023 0.000 1.285 485 F HN 0.521 nan 8.300 nan 0.000 0.440 486 N N 2.177 120.937 118.700 0.100 0.000 2.503 486 N HA 0.588 5.328 4.740 0.000 0.000 0.267 486 N C -0.906 174.641 175.510 0.062 0.000 1.214 486 N CA -0.155 52.905 53.050 0.017 0.000 0.959 486 N CB 1.190 39.705 38.487 0.047 0.000 1.142 486 N HN 0.703 nan 8.380 nan 0.000 0.455 487 I N 0.803 121.372 120.570 -0.002 0.000 2.478 487 I HA 0.202 4.372 4.170 0.000 0.000 0.287 487 I C -0.274 175.857 176.117 0.024 0.000 1.042 487 I CA -0.568 60.753 61.300 0.035 0.000 1.067 487 I CB 2.003 40.005 38.000 0.003 0.000 1.233 487 I HN 0.250 nan 8.210 nan 0.000 0.431 488 Q N 7.746 127.566 119.800 0.034 0.000 2.282 488 Q HA 0.728 5.068 4.340 0.000 0.000 0.260 488 Q C -1.248 174.765 176.000 0.022 0.000 0.964 488 Q CA -0.859 54.960 55.803 0.027 0.000 0.880 488 Q CB 1.965 30.716 28.738 0.021 0.000 1.286 488 Q HN 0.678 nan 8.270 nan 0.000 0.445 489 M N 1.556 121.172 119.600 0.027 0.000 2.263 489 M HA 0.578 5.058 4.480 0.000 0.000 0.295 489 M C -1.520 174.792 176.300 0.020 0.000 1.028 489 M CA -0.814 54.498 55.300 0.021 0.000 0.921 489 M CB 1.471 34.085 32.600 0.024 0.000 1.601 489 M HN 0.399 nan 8.290 nan 0.000 0.440 490 c N 2.948 121.551 118.600 0.004 0.000 2.340 490 c HA 0.845 5.415 4.570 0.000 0.000 0.323 490 c C -0.015 174.075 174.090 -0.000 0.000 1.260 490 c CA -0.672 55.654 56.329 -0.005 0.000 1.464 490 c CB 1.501 44.002 42.510 -0.015 0.000 2.156 490 c HN 0.782 nan 8.230 nan 0.000 0.476 491 V N 3.081 122.998 119.914 0.005 0.000 2.540 491 V HA 0.888 5.008 4.120 0.000 0.000 0.302 491 V C 0.524 176.618 176.094 0.000 0.000 1.035 491 V CA 0.078 62.382 62.300 0.006 0.000 0.873 491 V CB 1.820 33.654 31.823 0.017 0.000 0.992 491 V HN 1.091 nan 8.190 nan 0.000 0.428 492 G N 2.565 111.362 108.800 -0.004 0.000 2.600 492 G HA2 0.860 4.820 3.960 0.000 0.000 0.303 492 G HA3 0.860 4.820 3.960 0.000 0.000 0.303 492 G C -1.135 173.757 174.900 -0.012 0.000 1.253 492 G CA -0.451 44.645 45.100 -0.007 0.000 0.974 492 G HN 1.207 nan 8.290 nan 0.000 0.483 493 A N 0.341 123.151 122.820 -0.016 0.000 2.466 493 A HA 0.784 5.104 4.320 0.000 0.000 0.284 493 A C -0.118 177.453 177.584 -0.022 0.000 1.049 493 A CA -0.089 51.933 52.037 -0.024 0.000 0.760 493 A CB 1.019 20.004 19.000 -0.024 0.000 1.274 493 A HN 1.494 nan 8.150 nan 0.000 0.412 494 T N -0.630 113.913 114.554 -0.017 0.000 2.910 494 T HA 1.006 5.356 4.350 0.000 0.000 0.287 494 T C 0.223 174.936 174.700 0.021 0.000 1.050 494 T CA -0.553 61.550 62.100 0.003 0.000 1.011 494 T CB 1.862 70.740 68.868 0.017 0.000 1.195 494 T HN 2.485 nan 8.240 nan 0.000 0.540 495 G N -0.306 108.529 108.800 0.058 0.000 2.333 495 G HA2 0.245 4.205 3.960 0.000 0.000 0.330 495 G HA3 0.245 4.205 3.960 0.000 0.000 0.330 495 G C -1.564 173.429 174.900 0.155 0.000 1.465 495 G CA -1.003 44.171 45.100 0.123 0.000 0.996 495 G HN 1.133 nan 8.290 nan 0.000 0.655 496 H N 0.755 119.909 119.070 0.140 0.000 2.525 496 H HA 0.352 4.908 4.556 0.000 0.000 0.339 496 H C 1.308 176.757 175.328 0.200 0.000 1.109 496 H CA 0.755 56.862 56.048 0.098 0.000 1.352 496 H CB 1.169 30.901 29.762 -0.050 0.000 1.461 496 H HN 0.783 nan 8.280 nan 0.000 0.533 497 N N 2.076 120.502 118.700 -0.456 0.000 2.693 497 N HA -0.221 4.519 4.740 0.000 0.000 0.249 497 N C -0.116 175.391 175.510 -0.004 0.000 1.119 497 N CA 0.995 53.926 53.050 -0.198 0.000 0.717 497 N CB -1.494 37.005 38.487 0.020 0.000 1.071 497 N HN 0.622 nan 8.380 nan 0.000 0.555 498 I N -2.030 118.535 120.570 -0.008 0.000 2.638 498 I HA 0.427 4.597 4.170 0.000 0.000 0.286 498 I C -1.514 174.585 176.117 -0.030 0.000 1.088 498 I CA -1.520 59.778 61.300 -0.003 0.000 1.397 498 I CB 0.464 38.464 38.000 -0.000 0.000 1.414 498 I HN -0.055 nan 8.210 nan 0.000 0.566 499 P HA 0.058 nan 4.420 nan 0.000 0.268 499 P C -0.142 177.137 177.300 -0.035 0.000 1.204 499 P CA -0.118 62.968 63.100 -0.023 0.000 0.768 499 P CB 0.842 32.533 31.700 -0.015 0.000 0.842 500 Q N 1.422 121.202 119.800 -0.034 0.000 2.291 500 Q HA -0.079 4.261 4.340 0.000 0.000 0.205 500 Q C 0.238 176.219 176.000 -0.031 0.000 0.970 500 Q CA 1.311 57.090 55.803 -0.041 0.000 0.876 500 Q CB 0.025 28.744 28.738 -0.032 0.000 0.935 500 Q HN 0.573 nan 8.270 nan 0.000 0.455 501 K N 1.206 121.593 120.400 -0.021 0.000 2.360 501 K HA 0.266 4.586 4.320 0.000 0.000 0.235 501 K C -0.606 175.985 176.600 -0.015 0.000 1.077 501 K CA -0.188 56.090 56.287 -0.016 0.000 1.035 501 K CB 0.735 33.230 32.500 -0.010 0.000 1.623 501 K HN -0.037 nan 8.250 nan 0.000 0.462 502 L N 0.999 122.210 121.223 -0.019 0.000 2.365 502 L HA 0.549 4.889 4.340 0.000 0.000 0.273 502 L C -1.073 175.789 176.870 -0.012 0.000 1.000 502 L CA -0.082 54.747 54.840 -0.017 0.000 0.819 502 L CB 1.924 43.969 42.059 -0.024 0.000 1.284 502 L HN 0.406 nan 8.230 nan 0.000 0.418 503 S N 4.690 120.386 115.700 -0.008 0.000 2.564 503 S HA 0.837 5.307 4.470 0.000 0.000 0.274 503 S C -1.330 173.269 174.600 -0.001 0.000 1.124 503 S CA -0.572 57.627 58.200 -0.003 0.000 0.869 503 S CB 1.765 64.964 63.200 -0.003 0.000 1.105 503 S HN 0.606 nan 8.310 nan 0.000 0.472 504 L N 2.924 124.148 121.223 0.003 0.000 2.409 504 L HA 0.573 4.913 4.340 0.000 0.000 0.262 504 L C -0.879 175.995 176.870 0.007 0.000 0.992 504 L CA -1.122 53.721 54.840 0.005 0.000 0.817 504 L CB 2.288 44.351 42.059 0.007 0.000 1.350 504 L HN 0.583 nan 8.230 nan 0.000 0.411 505 N N 1.800 120.504 118.700 0.007 0.000 2.455 505 N HA 0.554 5.294 4.740 0.000 0.000 0.280 505 N C -0.589 174.929 175.510 0.012 0.000 1.055 505 N CA -0.269 52.784 53.050 0.006 0.000 0.961 505 N CB 2.045 40.535 38.487 0.005 0.000 1.121 505 N HN 0.636 nan 8.380 nan 0.000 0.476 506 A N 1.670 124.496 122.820 0.010 0.000 2.323 506 A HA 0.260 4.580 4.320 0.000 0.000 0.305 506 A C -0.073 177.517 177.584 0.009 0.000 1.275 506 A CA -0.713 51.332 52.037 0.014 0.000 0.804 506 A CB 0.323 19.334 19.000 0.017 0.000 1.152 506 A HN 0.668 nan 8.150 nan 0.000 0.487 507 E N 2.388 122.598 120.200 0.017 0.000 2.200 507 E HA 0.448 4.798 4.350 0.000 0.000 0.283 507 E C -1.244 175.363 176.600 0.011 0.000 1.015 507 E CA -0.534 55.875 56.400 0.015 0.000 0.819 507 E CB 0.862 30.578 29.700 0.026 0.000 1.081 507 E HN 0.579 nan 8.360 nan 0.000 0.397 508 L N 4.565 125.788 121.223 0.001 0.000 2.313 508 L HA 0.367 4.707 4.340 0.000 0.000 0.283 508 L C -1.393 175.473 176.870 -0.007 0.000 1.013 508 L CA -0.298 54.538 54.840 -0.006 0.000 0.816 508 L CB 1.568 43.620 42.059 -0.012 0.000 1.236 508 L HN 0.496 nan 8.230 nan 0.000 0.419 509 Q N 4.987 124.784 119.800 -0.004 0.000 2.330 509 Q HA 0.475 4.815 4.340 0.000 0.000 0.269 509 Q C -1.422 174.570 176.000 -0.014 0.000 1.022 509 Q CA -0.651 55.148 55.803 -0.006 0.000 0.796 509 Q CB 2.358 31.102 28.738 0.010 0.000 1.271 509 Q HN 0.541 nan 8.270 nan 0.000 0.450 510 L N 2.475 123.682 121.223 -0.027 0.000 2.289 510 L HA 0.257 4.597 4.340 0.000 0.000 0.285 510 L C 0.367 177.209 176.870 -0.046 0.000 1.049 510 L CA 0.152 54.973 54.840 -0.031 0.000 0.804 510 L CB 0.616 42.645 42.059 -0.050 0.000 1.195 510 L HN 0.605 nan 8.230 nan 0.000 0.428 511 D N 1.051 121.424 120.400 -0.045 0.000 2.705 511 D HA -0.225 4.415 4.640 0.000 0.000 0.240 511 D C 1.616 177.888 176.300 -0.047 0.000 1.137 511 D CA 0.804 54.765 54.000 -0.065 0.000 0.677 511 D CB -0.248 40.486 40.800 -0.110 0.000 1.049 511 D HN 0.690 nan 8.370 nan 0.000 0.427 512 R N -0.097 120.388 120.500 -0.025 0.000 2.105 512 R HA -0.204 4.136 4.340 0.000 0.000 0.239 512 R C 1.779 178.073 176.300 -0.010 0.000 1.135 512 R CA 1.477 57.572 56.100 -0.009 0.000 0.967 512 R CB 0.079 30.388 30.300 0.015 0.000 0.861 512 R HN 0.282 nan 8.270 nan 0.000 0.442 513 Q N 0.602 120.394 119.800 -0.014 0.000 2.224 513 Q HA -0.024 4.316 4.340 0.000 0.000 0.203 513 Q C 0.256 176.246 176.000 -0.017 0.000 0.970 513 Q CA 0.952 56.749 55.803 -0.011 0.000 0.865 513 Q CB 0.028 28.760 28.738 -0.010 0.000 0.922 513 Q HN 0.152 nan 8.270 nan 0.000 0.445 514 K N 1.489 121.871 120.400 -0.030 0.000 2.138 514 K HA 0.276 4.596 4.320 0.000 0.000 0.251 514 K C -2.124 174.460 176.600 -0.026 0.000 1.015 514 K CA -1.864 54.404 56.287 -0.033 0.000 0.917 514 K CB -0.483 31.982 32.500 -0.058 0.000 1.021 514 K HN -0.061 nan 8.250 nan 0.000 0.485 515 P HA 0.231 nan 4.420 nan 0.000 0.274 515 P C 0.629 177.917 177.300 -0.019 0.000 1.256 515 P CA -0.365 62.726 63.100 -0.014 0.000 0.795 515 P CB 0.568 32.263 31.700 -0.007 0.000 1.038 516 R N 0.073 120.565 120.500 -0.014 0.000 2.096 516 R HA -0.188 4.152 4.340 0.000 0.000 0.240 516 R C 1.365 177.655 176.300 -0.017 0.000 1.139 516 R CA 1.730 57.821 56.100 -0.015 0.000 0.952 516 R CB -0.371 29.924 30.300 -0.008 0.000 0.854 516 R HN 0.613 nan 8.270 nan 0.000 0.436 517 Q N -0.872 118.922 119.800 -0.010 0.000 2.201 517 Q HA 0.137 4.477 4.340 0.000 0.000 0.217 517 Q C 0.683 176.678 176.000 -0.007 0.000 0.860 517 Q CA -0.028 55.771 55.803 -0.006 0.000 0.984 517 Q CB 1.501 30.241 28.738 0.004 0.000 1.095 517 Q HN 0.355 nan 8.270 nan 0.000 0.477 518 G N 0.233 109.020 108.800 -0.021 0.000 3.695 518 G HA2 0.055 4.015 3.960 0.000 0.000 0.277 518 G HA3 0.055 4.015 3.960 0.000 0.000 0.277 518 G C 0.205 175.057 174.900 -0.079 0.000 1.001 518 G CA -0.387 44.696 45.100 -0.027 0.000 0.837 518 G HN -0.031 nan 8.290 nan 0.000 0.492 519 R N 0.993 121.437 120.500 -0.093 0.000 2.351 519 R HA 0.239 4.579 4.340 0.000 0.000 0.318 519 R C 0.801 176.957 176.300 -0.239 0.000 1.055 519 R CA -0.179 55.834 56.100 -0.144 0.000 0.968 519 R CB 0.736 30.968 30.300 -0.115 0.000 0.974 519 R HN 0.288 nan 8.270 nan 0.000 0.439 520 R N 0.767 121.048 120.500 -0.365 0.000 2.200 520 R HA 0.021 4.362 4.340 0.000 0.000 0.208 520 R C 0.836 176.833 176.300 -0.506 0.000 1.033 520 R CA 0.566 56.261 56.100 -0.674 0.000 1.000 520 R CB 0.246 29.911 30.300 -1.058 0.000 0.906 520 R HN 0.440 nan 8.270 nan 0.000 0.462 521 V N -1.603 118.107 119.914 -0.340 0.000 2.864 521 V HA 0.649 4.769 4.120 0.000 0.000 0.314 521 V C -0.555 175.321 176.094 -0.362 0.000 1.073 521 V CA -1.140 60.972 62.300 -0.313 0.000 0.956 521 V CB 2.129 33.916 31.823 -0.060 0.000 1.023 521 V HN -0.070 nan 8.190 nan 0.000 0.435 522 L N 2.185 123.049 121.223 -0.599 0.000 2.403 522 L HA 0.597 4.937 4.340 0.000 0.000 0.253 522 L C -0.817 175.880 176.870 -0.288 0.000 1.045 522 L CA -0.855 53.726 54.840 -0.432 0.000 0.845 522 L CB 2.389 44.203 42.059 -0.408 0.000 1.447 522 L HN 0.550 nan 8.230 nan 0.000 0.411 523 L N 1.364 122.556 121.223 -0.052 0.000 2.380 523 L HA 0.105 4.445 4.340 0.000 0.000 0.273 523 L C 0.993 178.003 176.870 0.233 0.000 1.138 523 L CA -0.271 54.591 54.840 0.037 0.000 0.832 523 L CB 0.910 42.969 42.059 0.000 0.000 1.124 523 L HN 0.506 nan 8.230 nan 0.000 0.454 524 L N 3.069 124.414 121.223 0.203 0.000 2.083 524 L HA -0.037 4.303 4.340 0.000 0.000 0.209 524 L C 1.994 178.880 176.870 0.025 0.000 1.083 524 L CA 2.140 57.055 54.840 0.124 0.000 0.752 524 L CB -0.622 41.443 42.059 0.010 0.000 0.899 524 L HN 0.768 nan 8.230 nan 0.000 0.433 525 G N -1.368 107.445 108.800 0.021 0.000 2.505 525 G HA2 -0.249 3.711 3.960 0.000 0.000 0.214 525 G HA3 -0.249 3.711 3.960 0.000 0.000 0.214 525 G C 1.532 176.441 174.900 0.015 0.000 1.237 525 G CA 0.953 46.053 45.100 0.001 0.000 0.802 525 G HN 0.526 nan 8.290 nan 0.000 0.549 526 S N -0.729 114.987 115.700 0.027 0.000 2.496 526 S HA 0.061 4.531 4.470 0.000 0.000 0.224 526 S C 1.185 175.818 174.600 0.056 0.000 0.996 526 S CA 1.137 59.353 58.200 0.028 0.000 0.927 526 S CB -0.078 63.130 63.200 0.013 0.000 0.774 526 S HN 0.540 nan 8.310 nan 0.000 0.524 527 Q N 0.350 120.217 119.800 0.112 0.000 2.481 527 Q HA -0.151 4.189 4.340 0.000 0.000 0.272 527 Q C -0.686 175.363 176.000 0.082 0.000 1.157 527 Q CA 0.701 56.613 55.803 0.182 0.000 0.935 527 Q CB -1.252 27.600 28.738 0.190 0.000 1.338 527 Q HN 0.626 nan 8.270 nan 0.000 0.494 528 Q N -1.102 118.720 119.800 0.037 0.000 2.240 528 Q HA 0.611 4.951 4.340 0.000 0.000 0.260 528 Q C 0.739 176.721 176.000 -0.030 0.000 1.018 528 Q CA 0.389 56.193 55.803 0.002 0.000 0.898 528 Q CB 1.202 29.940 28.738 0.001 0.000 1.301 528 Q HN 0.240 nan 8.270 nan 0.000 0.469 529 A N -0.187 122.610 122.820 -0.038 0.000 2.208 529 A HA 0.411 4.731 4.320 0.000 0.000 0.209 529 A C 0.672 178.232 177.584 -0.041 0.000 1.161 529 A CA 1.060 53.064 52.037 -0.055 0.000 0.782 529 A CB 0.122 19.091 19.000 -0.053 0.000 0.816 529 A HN 0.618 nan 8.150 nan 0.000 0.477 530 G N -2.032 106.751 108.800 -0.028 0.000 2.576 530 G HA2 0.537 4.497 3.960 0.000 0.000 0.290 530 G HA3 0.537 4.497 3.960 0.000 0.000 0.290 530 G C -0.839 174.051 174.900 -0.017 0.000 1.442 530 G CA 0.205 45.293 45.100 -0.021 0.000 0.792 530 G HN 0.767 nan 8.290 nan 0.000 0.491 531 T N -2.582 111.962 114.554 -0.016 0.000 2.843 531 T HA 0.764 5.114 4.350 0.000 0.000 0.302 531 T C -0.809 173.884 174.700 -0.013 0.000 1.232 531 T CA -0.711 61.380 62.100 -0.016 0.000 1.009 531 T CB 1.954 70.809 68.868 -0.022 0.000 1.254 531 T HN 0.608 nan 8.240 nan 0.000 0.504 532 T N 1.867 116.412 114.554 -0.014 0.000 2.829 532 T HA 0.668 5.018 4.350 0.000 0.000 0.280 532 T C -0.512 174.175 174.700 -0.022 0.000 0.999 532 T CA -0.689 61.404 62.100 -0.012 0.000 0.983 532 T CB 0.741 69.605 68.868 -0.007 0.000 0.968 532 T HN 0.525 nan 8.240 nan 0.000 0.446 533 L N 3.081 124.290 121.223 -0.023 0.000 2.334 533 L HA 0.531 4.871 4.340 0.000 0.000 0.273 533 L C 0.052 176.906 176.870 -0.026 0.000 1.013 533 L CA -0.963 53.854 54.840 -0.039 0.000 0.816 533 L CB 1.548 43.575 42.059 -0.052 0.000 1.278 533 L HN 0.648 nan 8.230 nan 0.000 0.431 534 N N 3.415 122.094 118.700 -0.035 0.000 2.609 534 N HA 0.427 5.167 4.740 0.000 0.000 0.234 534 N C -1.186 174.315 175.510 -0.014 0.000 1.001 534 N CA -0.457 52.582 53.050 -0.020 0.000 0.926 534 N CB 0.915 39.390 38.487 -0.020 0.000 1.130 534 N HN 0.324 nan 8.380 nan 0.000 0.510 535 L N 1.175 122.402 121.223 0.007 0.000 2.276 535 L HA 0.282 4.622 4.340 0.000 0.000 0.286 535 L C 0.136 177.021 176.870 0.026 0.000 1.061 535 L CA -0.629 54.232 54.840 0.035 0.000 0.807 535 L CB 0.741 42.837 42.059 0.061 0.000 1.177 535 L HN 0.416 nan 8.230 nan 0.000 0.429 536 D N 3.831 124.251 120.400 0.032 0.000 2.441 536 D HA 0.225 4.865 4.640 0.000 0.000 0.221 536 D C 0.450 176.758 176.300 0.013 0.000 1.156 536 D CA -0.085 53.926 54.000 0.017 0.000 0.896 536 D CB 0.749 41.559 40.800 0.016 0.000 1.028 536 D HN 0.400 nan 8.370 nan 0.000 0.509 537 L N 2.566 123.789 121.223 0.000 0.000 2.611 537 L HA 0.313 4.653 4.340 0.000 0.000 0.229 537 L C 1.506 178.354 176.870 -0.037 0.000 1.137 537 L CA -0.391 54.440 54.840 -0.015 0.000 0.901 537 L CB 0.248 42.297 42.059 -0.016 0.000 1.098 537 L HN 0.413 nan 8.230 nan 0.000 0.456 538 G N -0.106 108.675 108.800 -0.031 0.000 2.363 538 G HA2 0.310 4.270 3.960 0.000 0.000 0.285 538 G HA3 0.310 4.270 3.960 0.000 0.000 0.285 538 G C 1.169 176.029 174.900 -0.066 0.000 1.084 538 G CA 0.493 45.567 45.100 -0.044 0.000 1.216 538 G HN 0.449 nan 8.290 nan 0.000 0.429 539 G N 2.152 110.883 108.800 -0.116 0.000 2.179 539 G HA2 -0.275 3.685 3.960 0.000 0.000 0.260 539 G HA3 -0.275 3.685 3.960 0.000 0.000 0.260 539 G C 0.627 175.368 174.900 -0.266 0.000 0.977 539 G CA 0.279 45.265 45.100 -0.191 0.000 0.641 539 G HN 0.691 nan 8.290 nan 0.000 0.533 540 K N 1.340 121.645 120.400 -0.158 0.000 2.278 540 K HA 0.273 4.593 4.320 0.000 0.000 0.289 540 K C 1.136 177.669 176.600 -0.111 0.000 1.080 540 K CA -0.397 55.837 56.287 -0.088 0.000 0.934 540 K CB 0.191 32.672 32.500 -0.031 0.000 1.093 540 K HN 0.500 nan 8.250 nan 0.000 0.459 541 H N -0.179 118.887 119.070 -0.006 0.000 2.457 541 H HA -0.071 4.485 4.556 0.000 0.000 0.294 541 H C 0.741 176.065 175.328 -0.007 0.000 1.064 541 H CA 0.765 56.810 56.048 -0.005 0.000 1.330 541 H CB 0.414 30.173 29.762 -0.005 0.000 1.395 541 H HN 0.480 nan 8.280 nan 0.000 0.541 542 S N 1.886 117.649 115.700 0.105 0.000 2.672 542 S HA 0.353 4.823 4.470 0.000 0.000 0.276 542 S C -2.430 172.179 174.600 0.016 0.000 1.207 542 S CA -1.531 56.698 58.200 0.049 0.000 1.002 542 S CB 1.967 65.187 63.200 0.034 0.000 0.998 542 S HN 0.015 nan 8.310 nan 0.000 0.542 543 P HA 0.436 nan 4.420 nan 0.000 0.281 543 P C -0.941 176.342 177.300 -0.029 0.000 1.249 543 P CA -0.607 62.488 63.100 -0.010 0.000 0.810 543 P CB 0.489 32.184 31.700 -0.009 0.000 1.008 544 I N 1.643 122.192 120.570 -0.034 0.000 2.331 544 I HA 0.236 4.406 4.170 0.000 0.000 0.292 544 I C 0.060 176.104 176.117 -0.122 0.000 0.998 544 I CA -0.515 60.735 61.300 -0.083 0.000 1.267 544 I CB 0.833 38.817 38.000 -0.027 0.000 1.386 544 I HN 0.182 nan 8.210 nan 0.000 0.476 545 c N 5.765 124.228 118.600 -0.228 0.000 2.382 545 c HA 0.558 5.128 4.570 0.000 0.000 0.327 545 c C -0.178 173.674 174.090 -0.397 0.000 1.250 545 c CA -0.460 55.751 56.329 -0.197 0.000 1.707 545 c CB 0.392 42.833 42.510 -0.114 0.000 2.272 545 c HN 0.638 nan 8.230 nan 0.000 0.506 546 H N 0.937 120.004 119.070 -0.004 0.000 2.759 546 H HA 0.427 4.983 4.556 0.000 0.000 0.354 546 H C -0.668 174.655 175.328 -0.008 0.000 1.074 546 H CA -0.115 55.929 56.048 -0.006 0.000 1.226 546 H CB 2.248 32.005 29.762 -0.008 0.000 1.648 546 H HN 0.525 nan 8.280 nan 0.000 0.529 547 T N 2.029 116.651 114.554 0.112 0.000 2.859 547 T HA 0.350 4.700 4.350 0.000 0.000 0.281 547 T C 0.526 175.248 174.700 0.037 0.000 1.005 547 T CA -0.389 61.743 62.100 0.054 0.000 1.025 547 T CB 2.219 71.106 68.868 0.032 0.000 0.977 547 T HN 0.538 nan 8.240 nan 0.000 0.458 548 T N 1.767 116.323 114.554 0.002 0.000 2.883 548 T HA 0.759 5.109 4.350 0.000 0.000 0.284 548 T C -1.191 173.469 174.700 -0.068 0.000 1.041 548 T CA -0.841 61.242 62.100 -0.028 0.000 1.007 548 T CB 1.020 69.866 68.868 -0.038 0.000 1.220 548 T HN 0.484 nan 8.240 nan 0.000 0.552 549 M N 1.979 121.524 119.600 -0.091 0.000 2.197 549 M HA 0.634 5.114 4.480 0.000 0.000 0.301 549 M C -0.509 175.675 176.300 -0.194 0.000 0.987 549 M CA -0.771 54.442 55.300 -0.145 0.000 0.921 549 M CB 1.851 34.406 32.600 -0.076 0.000 1.569 549 M HN 0.761 nan 8.290 nan 0.000 0.431 550 A N 3.028 125.571 122.820 -0.462 0.000 2.284 550 A HA 1.035 5.355 4.320 0.000 0.000 0.317 550 A C -1.195 176.192 177.584 -0.329 0.000 1.120 550 A CA -0.450 51.298 52.037 -0.482 0.000 0.900 550 A CB 1.040 19.560 19.000 -0.800 0.000 1.319 550 A HN 0.810 nan 8.150 nan 0.000 0.494 551 F N -2.068 117.740 119.950 -0.235 0.000 2.654 551 F HA 0.667 5.194 4.527 0.000 0.000 0.308 551 F C -1.579 174.317 175.800 0.160 0.000 1.108 551 F CA -1.322 56.692 58.000 0.024 0.000 0.957 551 F CB 0.863 39.867 39.000 0.006 0.000 1.309 551 F HN 0.470 nan 8.300 nan 0.000 0.446 552 L N 4.027 125.403 121.223 0.255 0.000 2.326 552 L HA 0.539 4.879 4.340 0.000 0.000 0.278 552 L C 0.374 177.362 176.870 0.198 0.000 1.092 552 L CA -0.164 54.751 54.840 0.124 0.000 0.810 552 L CB 0.852 43.036 42.059 0.209 0.000 1.153 552 L HN 0.775 nan 8.230 nan 0.000 0.439 553 R N 2.143 122.698 120.500 0.091 0.000 2.801 553 R HA 0.062 4.402 4.340 0.000 0.000 0.273 553 R C -0.102 176.435 176.300 0.395 0.000 1.080 553 R CA -0.568 55.688 56.100 0.259 0.000 1.197 553 R CB 0.194 30.599 30.300 0.176 0.000 1.109 553 R HN 0.640 nan 8.270 nan 0.000 0.535 554 D N 1.040 121.617 120.400 0.294 0.000 2.449 554 D HA -0.116 4.524 4.640 0.000 0.000 0.236 554 D C 0.881 177.229 176.300 0.080 0.000 1.149 554 D CA 0.533 54.639 54.000 0.176 0.000 0.878 554 D CB 0.889 41.760 40.800 0.118 0.000 1.198 554 D HN 0.507 nan 8.370 nan 0.000 0.446 555 E N 2.163 122.343 120.200 -0.034 0.000 2.058 555 E HA -0.231 4.119 4.350 0.000 0.000 0.194 555 E C 1.571 177.979 176.600 -0.320 0.000 0.997 555 E CA 1.370 57.631 56.400 -0.231 0.000 0.801 555 E CB -0.024 29.596 29.700 -0.133 0.000 0.746 555 E HN 0.541 nan 8.360 nan 0.000 0.450 556 A N 0.443 123.176 122.820 -0.146 0.000 2.167 556 A HA -0.094 4.226 4.320 0.000 0.000 0.214 556 A C 1.311 178.853 177.584 -0.071 0.000 1.151 556 A CA 1.130 53.100 52.037 -0.111 0.000 0.735 556 A CB -0.073 18.897 19.000 -0.050 0.000 0.802 556 A HN 0.197 nan 8.150 nan 0.000 0.467 557 D N -1.037 119.353 120.400 -0.018 0.000 2.317 557 D HA 0.154 4.794 4.640 0.000 0.000 0.211 557 D C 0.205 176.623 176.300 0.195 0.000 0.966 557 D CA 0.894 54.956 54.000 0.103 0.000 0.876 557 D CB -0.014 40.896 40.800 0.183 0.000 0.927 557 D HN 0.612 nan 8.370 nan 0.000 0.519 558 F N -3.124 116.831 119.950 0.008 0.000 2.619 558 F HA 0.503 5.031 4.527 0.000 0.000 0.308 558 F C 0.673 176.473 175.800 -0.000 0.000 1.097 558 F CA -1.280 56.721 58.000 0.001 0.000 0.953 558 F CB 1.511 40.508 39.000 -0.006 0.000 1.287 558 F HN -0.434 nan 8.300 nan 0.000 0.446 559 R N 0.249 120.813 120.500 0.107 0.000 2.128 559 R HA 0.058 4.398 4.340 0.000 0.000 0.211 559 R C -0.153 176.193 176.300 0.075 0.000 1.067 559 R CA 0.337 56.444 56.100 0.012 0.000 1.010 559 R CB -0.032 30.286 30.300 0.029 0.000 0.922 559 R HN 0.778 nan 8.270 nan 0.000 0.457 560 D N 1.290 121.816 120.400 0.210 0.000 2.346 560 D HA -0.010 4.630 4.640 0.000 0.000 0.260 560 D C -0.028 176.419 176.300 0.245 0.000 1.252 560 D CA 0.354 54.458 54.000 0.174 0.000 0.895 560 D CB 1.107 41.984 40.800 0.129 0.000 1.097 560 D HN 0.076 nan 8.370 nan 0.000 0.489 561 K N 3.392 123.871 120.400 0.131 0.000 2.380 561 K HA 0.040 4.360 4.320 0.000 0.000 0.198 561 K C 1.362 178.001 176.600 0.065 0.000 1.070 561 K CA -0.201 56.160 56.287 0.124 0.000 1.040 561 K CB 0.540 33.070 32.500 0.049 0.000 0.903 561 K HN 0.310 nan 8.250 nan 0.000 0.549 562 L N 1.106 122.355 121.223 0.045 0.000 2.130 562 L HA 0.169 4.509 4.340 0.000 0.000 0.200 562 L C 0.957 177.831 176.870 0.008 0.000 1.075 562 L CA 0.789 55.642 54.840 0.022 0.000 0.768 562 L CB -0.196 41.875 42.059 0.019 0.000 0.933 562 L HN -0.059 nan 8.230 nan 0.000 0.451 563 S N 1.227 116.933 115.700 0.011 0.000 2.573 563 S HA 0.059 4.529 4.470 0.000 0.000 0.297 563 S C -2.267 172.313 174.600 -0.032 0.000 1.280 563 S CA -1.064 57.132 58.200 -0.007 0.000 1.061 563 S CB -0.139 63.059 63.200 -0.002 0.000 0.812 563 S HN 0.168 nan 8.310 nan 0.000 0.500 564 P HA 0.302 nan 4.420 nan 0.000 0.278 564 P C -0.782 176.470 177.300 -0.080 0.000 1.238 564 P CA -0.383 62.671 63.100 -0.077 0.000 0.794 564 P CB 0.363 32.021 31.700 -0.071 0.000 0.955 565 I N 2.169 122.675 120.570 -0.107 0.000 2.301 565 I HA 0.147 4.317 4.170 0.000 0.000 0.292 565 I C 0.281 176.353 176.117 -0.075 0.000 1.046 565 I CA -0.794 60.445 61.300 -0.101 0.000 1.282 565 I CB 0.895 38.817 38.000 -0.131 0.000 1.409 565 I HN -0.018 nan 8.210 nan 0.000 0.484 566 V N 7.875 127.757 119.914 -0.053 0.000 2.498 566 V HA 0.323 4.443 4.120 0.000 0.000 0.279 566 V C 0.244 176.324 176.094 -0.023 0.000 1.048 566 V CA -0.397 61.883 62.300 -0.033 0.000 0.967 566 V CB 1.290 33.102 31.823 -0.018 0.000 0.988 566 V HN 0.476 nan 8.190 nan 0.000 0.473 567 L N 5.026 126.238 121.223 -0.019 0.000 2.322 567 L HA 0.705 5.045 4.340 0.000 0.000 0.281 567 L C 0.110 176.959 176.870 -0.035 0.000 1.014 567 L CA -0.196 54.636 54.840 -0.013 0.000 0.815 567 L CB 2.004 44.066 42.059 0.006 0.000 1.247 567 L HN 0.766 nan 8.230 nan 0.000 0.421 568 S N 3.281 118.959 115.700 -0.038 0.000 2.542 568 S HA 0.793 5.263 4.470 0.000 0.000 0.293 568 S C -1.154 173.387 174.600 -0.099 0.000 1.089 568 S CA -0.748 57.396 58.200 -0.092 0.000 0.961 568 S CB 2.377 65.576 63.200 -0.001 0.000 1.062 568 S HN 0.456 nan 8.310 nan 0.000 0.483 569 L N 2.954 124.057 121.223 -0.200 0.000 2.406 569 L HA 0.659 4.999 4.340 0.000 0.000 0.270 569 L C -1.256 175.552 176.870 -0.104 0.000 0.982 569 L CA -0.286 54.486 54.840 -0.112 0.000 0.843 569 L CB 1.591 43.598 42.059 -0.087 0.000 1.225 569 L HN 0.915 nan 8.230 nan 0.000 0.412 570 N N 3.806 122.528 118.700 0.036 0.000 2.392 570 N HA 0.617 5.357 4.740 0.000 0.000 0.283 570 N C -1.639 173.916 175.510 0.076 0.000 1.003 570 N CA -0.289 52.849 53.050 0.147 0.000 0.892 570 N CB 1.930 40.550 38.487 0.221 0.000 1.193 570 N HN 0.335 nan 8.380 nan 0.000 0.487 571 V N 2.341 122.297 119.914 0.070 0.000 2.459 571 V HA 0.717 4.837 4.120 0.000 0.000 0.295 571 V C -0.186 175.932 176.094 0.039 0.000 1.029 571 V CA -0.503 61.822 62.300 0.041 0.000 0.874 571 V CB 1.252 33.092 31.823 0.028 0.000 0.985 571 V HN 0.893 nan 8.190 nan 0.000 0.438 572 S N 4.621 120.338 115.700 0.027 0.000 2.638 572 S HA 0.750 5.220 4.470 0.000 0.000 0.274 572 S C -1.109 173.499 174.600 0.014 0.000 1.157 572 S CA -0.902 57.311 58.200 0.022 0.000 0.826 572 S CB 1.432 64.645 63.200 0.021 0.000 1.139 572 S HN 0.432 nan 8.310 nan 0.000 0.474 573 L N 1.818 123.048 121.223 0.011 0.000 2.371 573 L HA 0.472 4.812 4.340 0.000 0.000 0.272 573 L C -2.069 174.804 176.870 0.005 0.000 1.124 573 L CA -1.957 52.887 54.840 0.007 0.000 0.816 573 L CB 0.475 42.538 42.059 0.006 0.000 1.129 573 L HN 0.548 nan 8.230 nan 0.000 0.448 574 P HA 0.134 nan 4.420 nan 0.000 0.271 574 P C -2.467 174.834 177.300 0.002 0.000 1.233 574 P CA -0.761 62.340 63.100 0.002 0.000 0.789 574 P CB -0.335 31.364 31.700 -0.000 0.000 0.951 575 P HA 0.158 nan 4.420 nan 0.000 0.274 575 P C -0.399 176.901 177.300 0.001 0.000 1.237 575 P CA -0.332 62.769 63.100 0.001 0.000 0.793 575 P CB 0.042 31.742 31.700 0.000 0.000 0.977 576 T N -1.787 112.767 114.554 0.001 0.000 2.882 576 T HA 0.283 4.633 4.350 0.000 0.000 0.287 576 T C 0.265 174.965 174.700 0.000 0.000 1.014 576 T CA -0.665 61.435 62.100 0.001 0.000 1.049 576 T CB 0.652 69.521 68.868 0.002 0.000 1.001 576 T HN 0.337 nan 8.240 nan 0.000 0.525 577 E N 0.354 120.554 120.200 0.000 0.000 2.385 577 E HA 0.490 4.840 4.350 0.000 0.000 0.254 577 E C 0.272 176.872 176.600 -0.000 0.000 1.228 577 E CA -1.018 55.382 56.400 -0.000 0.000 0.956 577 E CB 0.436 30.136 29.700 -0.000 0.000 1.116 577 E HN 0.890 nan 8.360 nan 0.000 0.507 578 A N 0.589 123.408 122.820 -0.001 0.000 2.540 578 A HA 0.323 4.643 4.320 0.000 0.000 0.264 578 A C 1.011 178.595 177.584 -0.001 0.000 1.080 578 A CA 1.021 53.057 52.037 -0.001 0.000 0.776 578 A CB -1.221 17.778 19.000 -0.002 0.000 1.011 578 A HN 0.765 nan 8.150 nan 0.000 0.514 579 G N 1.800 110.600 108.800 -0.000 0.000 2.380 579 G HA2 -0.102 3.858 3.960 0.000 0.000 0.197 579 G HA3 -0.102 3.858 3.960 0.000 0.000 0.197 579 G C 0.423 175.324 174.900 0.001 0.000 1.001 579 G CA 0.045 45.145 45.100 0.000 0.000 0.668 579 G HN 1.480 nan 8.290 nan 0.000 0.483 580 M N -1.570 118.031 119.600 0.002 0.000 7.319 580 M HA 0.123 4.603 4.480 0.000 0.000 0.129 580 M C 0.746 177.049 176.300 0.005 0.000 0.480 580 M CA 1.642 56.944 55.300 0.003 0.000 1.311 580 M CB -1.419 31.183 32.600 0.003 0.000 0.421 580 M HN 2.562 nan 8.290 nan 0.000 0.500 581 A N -0.202 122.622 122.820 0.006 0.000 3.076 581 A HA 0.183 4.503 4.320 0.000 0.000 0.272 581 A C -2.312 175.276 177.584 0.007 0.000 1.231 581 A CA -0.194 51.848 52.037 0.009 0.000 0.713 581 A CB -1.827 17.178 19.000 0.009 0.000 1.252 581 A HN 0.648 nan 8.150 nan 0.000 0.355 582 P HA 0.593 nan 4.420 nan 0.000 0.280 582 P C 0.914 178.215 177.300 0.001 0.000 1.244 582 P CA 0.319 63.422 63.100 0.004 0.000 0.784 582 P CB 1.572 33.274 31.700 0.004 0.000 0.913 583 A N 4.046 126.864 122.820 -0.002 0.000 1.835 583 A HA 0.123 4.443 4.320 0.000 0.000 0.213 583 A C 1.136 178.706 177.584 -0.023 0.000 1.210 583 A CA 1.600 53.633 52.037 -0.008 0.000 0.605 583 A CB -0.992 18.005 19.000 -0.006 0.000 0.860 583 A HN 0.537 nan 8.150 nan 0.000 0.447 584 V N -3.355 116.544 119.914 -0.024 0.000 3.193 584 V HA 0.769 4.889 4.120 0.000 0.000 0.320 584 V C -0.344 175.736 176.094 -0.022 0.000 1.112 584 V CA -0.895 61.382 62.300 -0.039 0.000 1.026 584 V CB 1.487 33.291 31.823 -0.031 0.000 1.128 584 V HN 0.151 nan 8.190 nan 0.000 0.452 585 V N 2.152 122.054 119.914 -0.019 0.000 2.487 585 V HA 0.500 4.620 4.120 0.000 0.000 0.298 585 V C -0.613 175.512 176.094 0.053 0.000 1.028 585 V CA -0.401 61.909 62.300 0.016 0.000 0.860 585 V CB 1.393 33.225 31.823 0.016 0.000 0.991 585 V HN 0.863 nan 8.190 nan 0.000 0.427 586 L N 6.661 127.919 121.223 0.057 0.000 2.280 586 L HA 0.734 5.074 4.340 0.000 0.000 0.287 586 L C -0.358 176.581 176.870 0.116 0.000 1.023 586 L CA 0.462 55.334 54.840 0.053 0.000 0.819 586 L CB 0.638 42.713 42.059 0.027 0.000 1.212 586 L HN 0.938 nan 8.230 nan 0.000 0.420 587 H N 3.217 122.300 119.070 0.022 0.000 2.959 587 H HA 0.983 5.539 4.556 0.000 0.000 0.296 587 H C 0.065 175.414 175.328 0.035 0.000 1.421 587 H CA -0.413 55.651 56.048 0.028 0.000 1.206 587 H CB 1.275 31.054 29.762 0.028 0.000 1.891 587 H HN 0.864 nan 8.280 nan 0.000 0.573 588 G N -0.228 108.582 108.800 0.016 0.000 2.418 588 G HA2 -0.089 3.871 3.960 0.000 0.000 0.206 588 G HA3 -0.089 3.871 3.960 0.000 0.000 0.206 588 G C -1.486 173.441 174.900 0.045 0.000 1.202 588 G CA -0.194 44.885 45.100 -0.036 0.000 1.061 588 G HN 0.813 nan 8.290 nan 0.000 0.563 589 D N 1.802 122.213 120.400 0.019 0.000 2.456 589 D HA 0.444 5.084 4.640 0.000 0.000 0.219 589 D C 1.442 177.763 176.300 0.034 0.000 1.126 589 D CA 0.631 54.654 54.000 0.038 0.000 0.890 589 D CB 1.057 41.873 40.800 0.027 0.000 1.025 589 D HN 0.729 nan 8.370 nan 0.000 0.511 590 T N -1.160 113.432 114.554 0.063 0.000 3.040 590 T HA 0.027 4.377 4.350 0.000 0.000 0.250 590 T C 0.400 175.171 174.700 0.118 0.000 1.058 590 T CA 0.241 62.382 62.100 0.069 0.000 0.988 590 T CB 0.166 69.075 68.868 0.068 0.000 0.993 590 T HN 0.363 nan 8.240 nan 0.000 0.519 591 H N -0.346 118.732 119.070 0.013 0.000 2.806 591 H HA 0.731 5.287 4.556 0.000 0.000 0.367 591 H C -1.763 173.572 175.328 0.012 0.000 1.136 591 H CA -0.695 55.360 56.048 0.012 0.000 1.178 591 H CB 2.307 32.076 29.762 0.012 0.000 1.718 591 H HN 0.137 nan 8.280 nan 0.000 0.540 592 V N 4.553 124.160 119.914 -0.512 0.000 3.000 592 V HA 0.377 4.497 4.120 0.000 0.000 0.300 592 V C -1.844 174.041 176.094 -0.348 0.000 1.251 592 V CA -0.366 61.767 62.300 -0.279 0.000 0.972 592 V CB 2.229 33.976 31.823 -0.127 0.000 1.065 592 V HN 0.931 nan 8.190 nan 0.000 0.431 593 Q N 4.313 124.013 119.800 -0.167 0.000 2.356 593 Q HA 0.670 5.010 4.340 0.000 0.000 0.270 593 Q C -1.349 174.621 176.000 -0.051 0.000 1.058 593 Q CA -0.841 54.901 55.803 -0.102 0.000 0.802 593 Q CB 2.864 31.585 28.738 -0.029 0.000 1.303 593 Q HN 0.706 nan 8.270 nan 0.000 0.444 594 E N 1.560 121.735 120.200 -0.043 0.000 2.404 594 E HA 0.404 4.754 4.350 0.000 0.000 0.264 594 E C -0.933 175.649 176.600 -0.030 0.000 0.946 594 E CA -0.633 55.750 56.400 -0.027 0.000 0.806 594 E CB 2.238 31.925 29.700 -0.021 0.000 1.334 594 E HN 0.636 nan 8.360 nan 0.000 0.429 595 Q N -0.908 118.868 119.800 -0.039 0.000 2.511 595 Q HA 0.736 5.076 4.340 0.000 0.000 0.289 595 Q C -0.978 174.959 176.000 -0.105 0.000 1.021 595 Q CA -0.804 54.961 55.803 -0.063 0.000 0.785 595 Q CB 2.367 31.067 28.738 -0.063 0.000 1.472 595 Q HN 0.408 nan 8.270 nan 0.000 0.411 596 T N -0.548 113.915 114.554 -0.151 0.000 2.812 596 T HA 0.770 5.120 4.350 0.000 0.000 0.294 596 T C -1.752 172.789 174.700 -0.265 0.000 1.159 596 T CA -0.660 61.296 62.100 -0.238 0.000 1.008 596 T CB 1.633 70.330 68.868 -0.286 0.000 1.289 596 T HN 0.804 nan 8.240 nan 0.000 0.514 597 R N 1.296 121.599 120.500 -0.327 0.000 2.752 597 R HA 0.502 4.842 4.340 0.000 0.000 0.271 597 R C -1.287 174.877 176.300 -0.227 0.000 1.026 597 R CA -0.850 55.092 56.100 -0.263 0.000 0.901 597 R CB 0.440 30.578 30.300 -0.270 0.000 1.243 597 R HN 0.622 nan 8.270 nan 0.000 0.463 598 I N 1.627 122.120 120.570 -0.128 0.000 2.588 598 I HA 0.058 4.228 4.170 0.000 0.000 0.283 598 I C 0.683 176.768 176.117 -0.054 0.000 1.119 598 I CA -0.765 60.494 61.300 -0.068 0.000 1.419 598 I CB 1.291 39.301 38.000 0.016 0.000 1.394 598 I HN 0.229 nan 8.210 nan 0.000 0.562 599 V N 7.077 126.971 119.914 -0.033 0.000 2.694 599 V HA -0.016 4.104 4.120 0.000 0.000 0.306 599 V C -0.011 176.100 176.094 0.028 0.000 1.054 599 V CA 0.336 62.640 62.300 0.007 0.000 1.161 599 V CB 0.735 32.567 31.823 0.015 0.000 0.916 599 V HN 0.421 nan 8.190 nan 0.000 0.490 600 L N 4.656 125.915 121.223 0.060 0.000 2.639 600 L HA 0.496 4.836 4.340 0.000 0.000 0.264 600 L C -0.657 176.248 176.870 0.059 0.000 0.948 600 L CA -0.052 54.820 54.840 0.052 0.000 0.912 600 L CB 1.616 43.705 42.059 0.050 0.000 1.294 600 L HN 0.717 nan 8.230 nan 0.000 0.412 601 D N 2.513 122.934 120.400 0.035 0.000 2.746 601 D HA -0.206 4.434 4.640 0.000 0.000 0.236 601 D C 0.553 176.865 176.300 0.020 0.000 1.129 601 D CA 1.307 55.321 54.000 0.023 0.000 0.691 601 D CB -1.598 39.212 40.800 0.018 0.000 1.077 601 D HN 0.615 nan 8.370 nan 0.000 0.432 602 c N 0.095 118.712 118.600 0.027 0.000 2.780 602 c HA 0.591 5.161 4.570 0.000 0.000 0.287 602 c C 1.662 175.759 174.090 0.011 0.000 1.288 602 c CA 0.293 56.635 56.329 0.021 0.000 1.713 602 c CB -0.682 41.855 42.510 0.045 0.000 1.955 602 c HN 0.878 nan 8.230 nan 0.000 0.613 603 G N 1.204 110.009 108.800 0.009 0.000 2.725 603 G HA2 -0.179 3.781 3.960 0.000 0.000 0.220 603 G HA3 -0.179 3.781 3.960 0.000 0.000 0.220 603 G C 0.270 175.175 174.900 0.008 0.000 1.357 603 G CA -0.078 45.025 45.100 0.005 0.000 0.866 603 G HN 0.389 nan 8.290 nan 0.000 0.548 604 E N 0.487 120.690 120.200 0.006 0.000 2.347 604 E HA -0.072 4.278 4.350 0.000 0.000 0.196 604 E C 1.731 178.336 176.600 0.009 0.000 1.008 604 E CA 1.128 57.532 56.400 0.007 0.000 0.852 604 E CB -0.001 29.702 29.700 0.005 0.000 0.783 604 E HN 0.602 nan 8.360 nan 0.000 0.505 605 D N -0.065 120.341 120.400 0.010 0.000 2.339 605 D HA -0.089 4.551 4.640 0.000 0.000 0.217 605 D C -0.022 176.287 176.300 0.016 0.000 1.050 605 D CA 0.167 54.174 54.000 0.012 0.000 0.856 605 D CB -0.010 40.796 40.800 0.010 0.000 0.922 605 D HN -0.141 nan 8.370 nan 0.000 0.518 606 D N -0.328 120.083 120.400 0.018 0.000 2.811 606 D HA -0.138 4.502 4.640 0.000 0.000 0.231 606 D C -0.773 175.549 176.300 0.035 0.000 1.157 606 D CA 0.470 54.485 54.000 0.026 0.000 0.716 606 D CB -1.292 39.522 40.800 0.022 0.000 1.077 606 D HN 0.226 nan 8.370 nan 0.000 0.428 607 V N 0.964 120.897 119.914 0.032 0.000 2.419 607 V HA 0.158 4.278 4.120 0.000 0.000 0.287 607 V C 0.526 176.636 176.094 0.026 0.000 1.017 607 V CA -0.839 61.485 62.300 0.040 0.000 0.844 607 V CB 2.017 33.858 31.823 0.029 0.000 1.011 607 V HN 0.239 nan 8.190 nan 0.000 0.429 608 c N 5.369 123.991 118.600 0.036 0.000 2.624 608 c HA 0.404 4.974 4.570 0.000 0.000 0.397 608 c C 0.635 174.681 174.090 -0.074 0.000 1.331 608 c CA -0.298 56.008 56.329 -0.038 0.000 1.716 608 c CB -0.204 42.238 42.510 -0.112 0.000 2.452 608 c HN 0.634 nan 8.230 nan 0.000 0.586 609 V N 8.089 127.963 119.914 -0.065 0.000 2.325 609 V HA 0.290 4.410 4.120 0.000 0.000 0.280 609 V C -2.084 173.968 176.094 -0.071 0.000 1.016 609 V CA -1.230 61.035 62.300 -0.058 0.000 0.818 609 V CB 1.149 32.954 31.823 -0.030 0.000 1.019 609 V HN 0.686 nan 8.190 nan 0.000 0.434 610 P HA 0.307 nan 4.420 nan 0.000 0.274 610 P C -0.636 176.632 177.300 -0.053 0.000 1.246 610 P CA -0.444 62.605 63.100 -0.085 0.000 0.795 610 P CB 0.610 32.247 31.700 -0.106 0.000 1.006 611 Q N 1.006 120.779 119.800 -0.045 0.000 2.907 611 Q HA 0.344 4.684 4.340 0.000 0.000 0.262 611 Q C -0.792 175.191 176.000 -0.027 0.000 0.997 611 Q CA -0.186 55.598 55.803 -0.030 0.000 0.797 611 Q CB 0.151 28.874 28.738 -0.024 0.000 1.228 611 Q HN 0.464 nan 8.270 nan 0.000 0.466 612 L N 2.157 123.365 121.223 -0.027 0.000 2.361 612 L HA 0.210 4.550 4.340 0.000 0.000 0.278 612 L C 0.523 177.386 176.870 -0.011 0.000 1.113 612 L CA -0.061 54.766 54.840 -0.021 0.000 0.849 612 L CB 0.408 42.455 42.059 -0.021 0.000 1.155 612 L HN 0.135 nan 8.230 nan 0.000 0.452 613 Q N 4.029 123.824 119.800 -0.008 0.000 2.306 613 Q HA 0.680 5.020 4.340 0.000 0.000 0.265 613 Q C -1.060 174.942 176.000 0.002 0.000 1.022 613 Q CA -0.845 54.957 55.803 -0.003 0.000 0.853 613 Q CB 3.156 31.892 28.738 -0.004 0.000 1.327 613 Q HN 0.381 nan 8.270 nan 0.000 0.449 614 L N 1.101 122.328 121.223 0.006 0.000 2.505 614 L HA 0.540 4.880 4.340 0.000 0.000 0.266 614 L C -1.119 175.758 176.870 0.011 0.000 0.954 614 L CA -0.008 54.838 54.840 0.011 0.000 0.852 614 L CB 2.299 44.368 42.059 0.017 0.000 1.282 614 L HN 0.778 nan 8.230 nan 0.000 0.403 615 T N 1.991 116.551 114.554 0.010 0.000 2.900 615 T HA 1.024 5.374 4.350 0.000 0.000 0.295 615 T C -0.624 174.081 174.700 0.009 0.000 1.044 615 T CA -0.126 61.979 62.100 0.009 0.000 0.995 615 T CB 1.959 70.831 68.868 0.006 0.000 1.072 615 T HN 1.118 nan 8.240 nan 0.000 0.473 616 A N 1.457 124.281 122.820 0.007 0.000 2.602 616 A HA 1.000 5.320 4.320 0.000 0.000 0.290 616 A C -0.462 177.118 177.584 -0.007 0.000 1.114 616 A CA -0.586 51.452 52.037 0.001 0.000 0.683 616 A CB 1.398 20.401 19.000 0.005 0.000 1.281 616 A HN 2.020 nan 8.150 nan 0.000 0.416 617 S N -1.278 114.410 115.700 -0.021 0.000 2.587 617 S HA 0.724 5.194 4.470 0.000 0.000 0.269 617 S C -1.468 173.099 174.600 -0.054 0.000 1.154 617 S CA -0.653 57.530 58.200 -0.028 0.000 0.824 617 S CB 1.060 64.249 63.200 -0.018 0.000 1.118 617 S HN 1.421 nan 8.310 nan 0.000 0.462 618 V N 1.836 121.714 119.914 -0.059 0.000 2.604 618 V HA 0.783 4.903 4.120 0.000 0.000 0.305 618 V C 0.223 176.282 176.094 -0.058 0.000 1.043 618 V CA -0.261 61.986 62.300 -0.088 0.000 0.888 618 V CB 1.815 33.566 31.823 -0.120 0.000 0.995 618 V HN 1.188 nan 8.190 nan 0.000 0.429 619 T N 0.019 114.538 114.554 -0.059 0.000 2.867 619 T HA 0.639 4.989 4.350 0.000 0.000 0.282 619 T C 0.700 175.377 174.700 -0.037 0.000 1.000 619 T CA 0.133 62.210 62.100 -0.039 0.000 1.042 619 T CB 1.460 70.309 68.868 -0.033 0.000 0.973 619 T HN 2.033 nan 8.240 nan 0.000 0.465 620 G N 1.542 110.327 108.800 -0.024 0.000 2.289 620 G HA2 -0.293 3.667 3.960 0.000 0.000 0.280 620 G HA3 -0.293 3.667 3.960 0.000 0.000 0.280 620 G C 0.848 175.739 174.900 -0.014 0.000 1.089 620 G CA 0.780 45.869 45.100 -0.017 0.000 0.939 620 G HN 1.566 nan 8.290 nan 0.000 0.499 621 S N 0.142 115.835 115.700 -0.012 0.000 2.355 621 S HA 0.047 4.517 4.470 0.000 0.000 0.222 621 S C -0.420 174.185 174.600 0.008 0.000 1.031 621 S CA 1.139 59.336 58.200 -0.005 0.000 0.993 621 S CB -0.373 62.826 63.200 -0.002 0.000 0.859 621 S HN 0.550 nan 8.310 nan 0.000 0.453 622 P HA 0.196 nan 4.420 nan 0.000 0.263 622 P C -0.780 176.523 177.300 0.005 0.000 1.247 622 P CA 0.139 63.242 63.100 0.006 0.000 0.876 622 P CB -0.034 31.667 31.700 0.001 0.000 0.928 623 L N 4.678 125.909 121.223 0.013 0.000 2.433 623 L HA 0.156 4.496 4.340 0.000 0.000 0.275 623 L C 0.949 177.811 176.870 -0.014 0.000 1.128 623 L CA -0.380 54.468 54.840 0.013 0.000 0.875 623 L CB 0.048 42.130 42.059 0.037 0.000 1.171 623 L HN 0.193 nan 8.230 nan 0.000 0.463 624 L N 4.784 125.994 121.223 -0.022 0.000 2.313 624 L HA 0.232 4.572 4.340 0.000 0.000 0.282 624 L C 0.055 176.875 176.870 -0.084 0.000 1.092 624 L CA -0.647 54.161 54.840 -0.054 0.000 0.831 624 L CB 1.067 43.103 42.059 -0.039 0.000 1.159 624 L HN 0.284 nan 8.230 nan 0.000 0.442 625 V N 2.996 122.810 119.914 -0.167 0.000 2.585 625 V HA 0.187 4.307 4.120 0.000 0.000 0.296 625 V C 1.199 177.161 176.094 -0.219 0.000 1.035 625 V CA 0.783 62.936 62.300 -0.244 0.000 1.084 625 V CB 0.759 32.272 31.823 -0.516 0.000 0.953 625 V HN 1.111 nan 8.190 nan 0.000 0.483 626 G N 3.373 112.119 108.800 -0.089 0.000 2.198 626 G HA2 0.034 3.994 3.960 0.000 0.000 0.257 626 G HA3 0.034 3.994 3.960 0.000 0.000 0.257 626 G C 0.120 175.023 174.900 0.005 0.000 1.042 626 G CA 0.397 45.498 45.100 0.002 0.000 0.791 626 G HN 1.491 nan 8.290 nan 0.000 0.502 627 A N -0.669 122.148 122.820 -0.005 0.000 2.389 627 A HA 0.827 5.147 4.320 0.000 0.000 0.293 627 A C 0.026 177.620 177.584 0.017 0.000 1.186 627 A CA 0.133 52.172 52.037 0.004 0.000 0.828 627 A CB 0.926 19.921 19.000 -0.009 0.000 1.369 627 A HN 0.695 nan 8.150 nan 0.000 0.446 628 D N 0.505 120.915 120.400 0.017 0.000 3.133 628 D HA 0.163 4.803 4.640 0.000 0.000 0.288 628 D C -0.524 175.788 176.300 0.021 0.000 1.346 628 D CA -0.550 53.462 54.000 0.021 0.000 0.934 628 D CB -0.477 40.332 40.800 0.016 0.000 1.042 628 D HN 0.283 nan 8.370 nan 0.000 0.506 629 N N 0.157 118.873 118.700 0.027 0.000 2.374 629 N HA 0.116 4.856 4.740 0.000 0.000 0.241 629 N C -0.522 175.007 175.510 0.032 0.000 1.262 629 N CA 0.195 53.262 53.050 0.028 0.000 0.880 629 N CB 1.577 40.087 38.487 0.038 0.000 1.105 629 N HN 0.088 nan 8.380 nan 0.000 0.438 630 V N 3.302 123.227 119.914 0.018 0.000 2.516 630 V HA 0.231 4.351 4.120 0.000 0.000 0.271 630 V C 0.282 176.373 176.094 -0.006 0.000 0.992 630 V CA -0.480 61.826 62.300 0.010 0.000 0.857 630 V CB 0.859 32.680 31.823 -0.004 0.000 1.047 630 V HN 0.451 nan 8.190 nan 0.000 0.455 631 L N 2.641 123.859 121.223 -0.008 0.000 2.453 631 L HA 0.484 4.824 4.340 0.000 0.000 0.261 631 L C 0.548 177.376 176.870 -0.070 0.000 1.179 631 L CA 0.125 54.933 54.840 -0.052 0.000 0.813 631 L CB 0.842 42.839 42.059 -0.104 0.000 1.110 631 L HN 0.599 nan 8.230 nan 0.000 0.466 632 E N 2.135 122.285 120.200 -0.084 0.000 2.220 632 E HA 0.314 4.664 4.350 0.000 0.000 0.256 632 E C -1.572 174.967 176.600 -0.102 0.000 0.881 632 E CA -0.893 55.461 56.400 -0.076 0.000 0.766 632 E CB 1.297 30.967 29.700 -0.050 0.000 1.187 632 E HN 0.308 nan 8.360 nan 0.000 0.419 633 L N 4.202 125.354 121.223 -0.118 0.000 2.315 633 L HA 0.197 4.537 4.340 0.000 0.000 0.283 633 L C 0.243 177.078 176.870 -0.059 0.000 1.089 633 L CA 0.436 55.200 54.840 -0.126 0.000 0.833 633 L CB 0.919 42.890 42.059 -0.146 0.000 1.170 633 L HN 0.469 nan 8.230 nan 0.000 0.442 634 Q N 5.906 125.676 119.800 -0.051 0.000 2.325 634 Q HA 0.732 5.072 4.340 0.000 0.000 0.262 634 Q C -0.741 175.250 176.000 -0.016 0.000 0.968 634 Q CA -0.338 55.451 55.803 -0.024 0.000 0.877 634 Q CB 2.084 30.809 28.738 -0.022 0.000 1.253 634 Q HN 0.616 nan 8.270 nan 0.000 0.448 635 M N 0.218 119.816 119.600 -0.002 0.000 2.322 635 M HA 0.511 4.991 4.480 0.000 0.000 0.286 635 M C -1.682 174.625 176.300 0.012 0.000 1.111 635 M CA -1.009 54.294 55.300 0.005 0.000 0.941 635 M CB 2.340 34.946 32.600 0.010 0.000 1.671 635 M HN 0.243 nan 8.290 nan 0.000 0.470 636 D N 2.961 123.367 120.400 0.010 0.000 2.349 636 D HA 0.715 5.356 4.640 0.000 0.000 0.232 636 D C -1.298 175.008 176.300 0.011 0.000 1.071 636 D CA 0.189 54.196 54.000 0.011 0.000 0.832 636 D CB 1.906 42.711 40.800 0.008 0.000 1.086 636 D HN 0.826 nan 8.370 nan 0.000 0.504 637 A N 2.481 125.309 122.820 0.013 0.000 2.304 637 A HA 0.841 5.161 4.320 0.000 0.000 0.323 637 A C -0.752 176.834 177.584 0.003 0.000 1.195 637 A CA -0.422 51.620 52.037 0.009 0.000 0.826 637 A CB 1.264 20.271 19.000 0.012 0.000 1.184 637 A HN 0.627 nan 8.150 nan 0.000 0.496 638 A N 2.039 124.858 122.820 -0.002 0.000 2.572 638 A HA 0.730 5.050 4.320 0.000 0.000 0.295 638 A C -1.108 176.467 177.584 -0.014 0.000 1.072 638 A CA -0.681 51.351 52.037 -0.007 0.000 0.691 638 A CB 1.401 20.399 19.000 -0.005 0.000 1.291 638 A HN 0.825 nan 8.150 nan 0.000 0.404 639 N N 0.530 119.217 118.700 -0.021 0.000 2.483 639 N HA 0.336 5.076 4.740 0.000 0.000 0.267 639 N C -0.274 175.219 175.510 -0.027 0.000 0.998 639 N CA -0.283 52.750 53.050 -0.029 0.000 0.918 639 N CB 1.388 39.849 38.487 -0.043 0.000 1.215 639 N HN 0.621 nan 8.380 nan 0.000 0.500 640 E N 1.129 121.315 120.200 -0.024 0.000 2.463 640 E HA 0.213 4.563 4.350 0.000 0.000 0.193 640 E C 0.665 177.251 176.600 -0.025 0.000 1.041 640 E CA -0.325 56.062 56.400 -0.021 0.000 0.879 640 E CB 0.679 30.370 29.700 -0.015 0.000 0.997 640 E HN 0.649 nan 8.360 nan 0.000 0.478 641 G N 0.651 109.431 108.800 -0.034 0.000 3.008 641 G HA2 0.289 4.249 3.960 0.000 0.000 0.181 641 G HA3 0.289 4.249 3.960 0.000 0.000 0.181 641 G C -0.331 174.538 174.900 -0.051 0.000 1.309 641 G CA -0.566 44.510 45.100 -0.039 0.000 1.009 641 G HN -0.029 nan 8.290 nan 0.000 0.584 642 E N -0.770 119.391 120.200 -0.065 0.000 2.322 642 E HA 0.441 4.791 4.350 0.000 0.000 0.257 642 E C 0.638 177.158 176.600 -0.134 0.000 1.155 642 E CA -0.426 55.926 56.400 -0.080 0.000 0.936 642 E CB 0.663 30.321 29.700 -0.071 0.000 1.130 642 E HN 0.519 nan 8.360 nan 0.000 0.465 643 G N -0.138 108.568 108.800 -0.157 0.000 2.265 643 G HA2 0.255 4.215 3.960 0.000 0.000 0.240 643 G HA3 0.255 4.215 3.960 0.000 0.000 0.240 643 G C -0.583 174.052 174.900 -0.442 0.000 1.270 643 G CA -0.042 44.921 45.100 -0.229 0.000 0.901 643 G HN 0.405 nan 8.290 nan 0.000 0.507 644 A N 2.956 125.577 122.820 -0.332 0.000 2.258 644 A HA 0.647 4.967 4.320 0.000 0.000 0.316 644 A C -0.685 176.752 177.584 -0.245 0.000 1.279 644 A CA -0.704 51.131 52.037 -0.337 0.000 0.876 644 A CB 0.492 19.395 19.000 -0.161 0.000 1.170 644 A HN 0.606 nan 8.150 nan 0.000 0.520 645 Y N 0.888 121.175 120.300 -0.023 0.000 2.309 645 Y HA 0.277 4.827 4.550 -0.000 0.000 0.327 645 Y C 1.096 176.981 175.900 -0.024 0.000 1.172 645 Y CA -0.223 57.861 58.100 -0.026 0.000 1.280 645 Y CB 0.294 38.738 38.460 -0.027 0.000 1.234 645 Y HN 0.890 nan 8.280 nan 0.000 0.512 646 E N -0.445 119.836 120.200 0.134 0.000 2.199 646 E HA -0.223 4.127 4.350 0.000 0.000 0.208 646 E C -0.467 176.153 176.600 0.033 0.000 1.310 646 E CA 0.203 56.639 56.400 0.060 0.000 0.709 646 E CB -0.843 28.890 29.700 0.055 0.000 1.127 646 E HN 0.667 nan 8.360 nan 0.000 0.354 647 A N 2.284 125.112 122.820 0.013 0.000 2.440 647 A HA 0.345 4.665 4.320 0.000 0.000 0.251 647 A C 0.496 178.078 177.584 -0.004 0.000 1.089 647 A CA 0.416 52.450 52.037 -0.006 0.000 0.779 647 A CB 0.381 19.366 19.000 -0.025 0.000 1.022 647 A HN 0.387 nan 8.150 nan 0.000 0.492 648 E N 1.692 121.891 120.200 -0.000 0.000 2.363 648 E HA 0.472 4.822 4.350 0.000 0.000 0.281 648 E C -1.571 175.031 176.600 0.004 0.000 0.953 648 E CA -0.985 55.416 56.400 0.002 0.000 0.778 648 E CB 0.976 30.676 29.700 -0.001 0.000 1.220 648 E HN 0.465 nan 8.360 nan 0.000 0.431 649 L N 2.012 123.239 121.223 0.006 0.000 2.349 649 L HA 0.644 4.984 4.340 0.000 0.000 0.275 649 L C -0.863 176.003 176.870 -0.006 0.000 1.115 649 L CA 0.022 54.868 54.840 0.011 0.000 0.820 649 L CB 1.092 43.163 42.059 0.019 0.000 1.135 649 L HN 0.750 nan 8.230 nan 0.000 0.445 650 A N 5.774 128.598 122.820 0.006 0.000 2.360 650 A HA 0.653 4.973 4.320 0.000 0.000 0.309 650 A C -1.099 176.482 177.584 -0.006 0.000 1.311 650 A CA -0.541 51.474 52.037 -0.036 0.000 0.805 650 A CB 0.639 19.629 19.000 -0.017 0.000 1.144 650 A HN 0.495 nan 8.150 nan 0.000 0.486 651 V N 3.858 123.749 119.914 -0.040 0.000 2.350 651 V HA 0.237 4.357 4.120 0.000 0.000 0.276 651 V C -0.437 175.650 176.094 -0.012 0.000 1.028 651 V CA -0.475 61.860 62.300 0.058 0.000 0.860 651 V CB 0.602 32.484 31.823 0.097 0.000 0.990 651 V HN 0.859 nan 8.190 nan 0.000 0.453 652 H N 4.724 123.836 119.070 0.071 0.000 2.723 652 H HA 0.494 5.050 4.556 0.000 0.000 0.294 652 H C -0.083 175.249 175.328 0.006 0.000 1.079 652 H CA -0.212 55.853 56.048 0.027 0.000 1.411 652 H CB 0.546 30.310 29.762 0.003 0.000 1.439 652 H HN 0.516 nan 8.280 nan 0.000 0.474 653 L N 5.927 127.176 121.223 0.044 0.000 2.399 653 L HA 0.349 4.689 4.340 0.000 0.000 0.266 653 L C -1.771 174.968 176.870 -0.217 0.000 1.114 653 L CA -2.015 52.775 54.840 -0.084 0.000 0.804 653 L CB 0.704 42.750 42.059 -0.021 0.000 1.146 653 L HN 0.502 nan 8.230 nan 0.000 0.451 654 P HA 0.123 nan 4.420 nan 0.000 0.282 654 P C -0.229 176.945 177.300 -0.209 0.000 1.287 654 P CA -0.508 62.401 63.100 -0.319 0.000 0.792 654 P CB 0.704 32.138 31.700 -0.442 0.000 1.163 655 Q N -0.358 119.354 119.800 -0.146 0.000 2.135 655 Q HA -0.112 4.228 4.340 0.000 0.000 0.204 655 Q C 2.090 178.023 176.000 -0.113 0.000 0.981 655 Q CA 2.175 57.915 55.803 -0.105 0.000 0.856 655 Q CB -0.830 27.872 28.738 -0.059 0.000 0.902 655 Q HN 0.686 nan 8.270 nan 0.000 0.425 656 G N 0.146 108.890 108.800 -0.093 0.000 2.623 656 G HA2 0.209 4.169 3.960 0.000 0.000 0.214 656 G HA3 0.209 4.169 3.960 0.000 0.000 0.214 656 G C 0.306 175.182 174.900 -0.039 0.000 1.138 656 G CA 0.368 45.450 45.100 -0.031 0.000 0.794 656 G HN 0.343 nan 8.290 nan 0.000 0.535 657 A N 0.459 123.206 122.820 -0.121 0.000 2.340 657 A HA 0.651 4.971 4.320 0.000 0.000 0.268 657 A C -0.567 176.881 177.584 -0.226 0.000 1.100 657 A CA -0.358 51.663 52.037 -0.026 0.000 0.803 657 A CB 0.383 19.430 19.000 0.078 0.000 1.043 657 A HN 0.376 nan 8.150 nan 0.000 0.488 658 H N 0.369 119.508 119.070 0.115 0.000 2.759 658 H HA 0.200 4.756 4.556 0.000 0.000 0.354 658 H C -1.582 173.828 175.328 0.137 0.000 1.074 658 H CA -0.268 55.847 56.048 0.111 0.000 1.226 658 H CB 1.447 31.248 29.762 0.066 0.000 1.648 658 H HN 0.751 nan 8.280 nan 0.000 0.529 659 Y N 3.055 123.447 120.300 0.152 0.000 2.526 659 Y HA 0.001 4.551 4.550 0.000 0.000 0.330 659 Y C 0.499 176.451 175.900 0.086 0.000 1.156 659 Y CA 0.403 58.563 58.100 0.100 0.000 1.419 659 Y CB 0.532 39.034 38.460 0.070 0.000 1.250 659 Y HN 0.631 nan 8.280 nan 0.000 0.540 660 M N 4.183 123.403 119.600 -0.634 0.000 2.962 660 M HA 0.280 4.760 4.480 0.000 0.000 0.242 660 M C 0.291 176.060 176.300 -0.884 0.000 1.396 660 M CA 0.629 55.600 55.300 -0.549 0.000 1.287 660 M CB 0.569 33.012 32.600 -0.261 0.000 1.168 660 M HN 0.545 nan 8.290 nan 0.000 0.557 661 R N -0.394 119.592 120.500 -0.856 0.000 2.692 661 R HA 0.728 5.068 4.340 0.000 0.000 0.269 661 R C -2.241 173.970 176.300 -0.149 0.000 1.030 661 R CA -0.469 55.358 56.100 -0.455 0.000 0.882 661 R CB 2.170 32.347 30.300 -0.205 0.000 1.250 661 R HN 0.246 nan 8.270 nan 0.000 0.465 662 A N 2.993 125.862 122.820 0.082 0.000 2.515 662 A HA 0.797 5.117 4.320 0.000 0.000 0.298 662 A C -1.644 175.977 177.584 0.063 0.000 1.059 662 A CA -0.649 51.472 52.037 0.140 0.000 0.698 662 A CB 1.540 20.701 19.000 0.270 0.000 1.289 662 A HN 0.505 nan 8.150 nan 0.000 0.404 663 L N 0.703 121.952 121.223 0.044 0.000 2.359 663 L HA 0.823 5.163 4.340 0.000 0.000 0.256 663 L C 0.117 177.008 176.870 0.035 0.000 1.026 663 L CA -0.633 54.217 54.840 0.018 0.000 0.828 663 L CB 2.636 44.696 42.059 0.001 0.000 1.406 663 L HN 1.006 nan 8.230 nan 0.000 0.413 664 S N -0.857 114.863 115.700 0.033 0.000 2.607 664 S HA 0.453 4.923 4.470 0.000 0.000 0.273 664 S C -1.207 173.423 174.600 0.050 0.000 1.148 664 S CA -0.884 57.351 58.200 0.058 0.000 0.833 664 S CB 1.783 65.051 63.200 0.113 0.000 1.130 664 S HN 0.652 nan 8.310 nan 0.000 0.470 665 N N 0.658 119.390 118.700 0.053 0.000 3.025 665 N HA 0.293 5.033 4.740 0.000 0.000 0.315 665 N C -1.130 174.412 175.510 0.054 0.000 1.511 665 N CA -0.515 52.560 53.050 0.042 0.000 1.097 665 N CB 0.448 38.952 38.487 0.029 0.000 1.395 665 N HN 0.402 nan 8.380 nan 0.000 0.511 666 V N -0.378 119.583 119.914 0.078 0.000 2.349 666 V HA 0.837 4.957 4.120 0.000 0.000 0.284 666 V C 0.161 176.309 176.094 0.090 0.000 1.014 666 V CA -0.047 62.309 62.300 0.092 0.000 0.826 666 V CB 0.191 32.100 31.823 0.143 0.000 1.009 666 V HN 0.725 nan 8.190 nan 0.000 0.431 667 E N 2.392 122.628 120.200 0.060 0.000 0.000 667 E HA 0.838 5.188 4.350 0.000 0.000 0.000 667 E C -0.337 nan 176.600 nan 0.000 0.000 667 E CA -0.216 56.214 56.400 0.050 0.000 0.000 667 E CB 0.959 nan 29.700 nan 0.000 0.000 667 E HN 1.575 nan 8.360 nan 0.000 0.000 668 G N -1.258 nan 108.800 nan 0.000 0.000 668 G HA2 0.694 4.654 3.960 0.000 0.000 0.000 668 G HA3 0.694 4.654 3.960 0.000 0.000 0.000 668 G C -1.976 173.075 174.900 0.251 0.000 0.000 668 G CA 0.233 nan 45.100 nan 0.000 0.000 668 G HN 1.678 nan 8.290 nan 0.000 0.000 669 F N 0.748 120.704 119.950 0.010 0.000 3.764 669 F HA 0.316 4.843 4.527 0.000 0.000 0.411 669 F C 0.837 176.645 175.800 0.013 0.000 1.073 669 F CA -0.625 57.382 58.000 0.012 0.000 1.540 669 F CB 0.706 39.713 39.000 0.012 0.000 2.372 669 F HN 0.495 nan 8.300 nan 0.000 0.816 670 E N 1.957 122.050 120.200 -0.177 0.000 2.014 670 E HA -0.026 4.324 4.350 0.000 0.000 0.190 670 E C 0.737 177.223 176.600 -0.191 0.000 0.980 670 E CA 0.312 56.636 56.400 -0.125 0.000 0.807 670 E CB 0.173 29.818 29.700 -0.091 0.000 0.770 670 E HN 0.422 nan 8.360 nan 0.000 0.451 671 R N 1.195 121.513 120.500 -0.303 0.000 2.349 671 R HA 0.298 4.638 4.340 0.000 0.000 0.299 671 R C -0.322 175.737 176.300 -0.402 0.000 1.027 671 R CA -0.246 55.706 56.100 -0.247 0.000 0.958 671 R CB 0.540 30.738 30.300 -0.171 0.000 1.047 671 R HN -0.030 nan 8.270 nan 0.000 0.468 672 L N 4.925 126.065 121.223 -0.138 0.000 2.399 672 L HA 0.315 4.655 4.340 0.000 0.000 0.266 672 L C 0.307 177.205 176.870 0.046 0.000 1.114 672 L CA -0.598 54.256 54.840 0.023 0.000 0.804 672 L CB 1.280 43.423 42.059 0.139 0.000 1.146 672 L HN 0.594 nan 8.230 nan 0.000 0.451 673 I N 2.063 122.730 120.570 0.161 0.000 2.293 673 I HA 0.091 4.261 4.170 0.000 0.000 0.299 673 I C -0.433 175.721 176.117 0.062 0.000 1.153 673 I CA -0.012 61.358 61.300 0.115 0.000 1.302 673 I CB -0.049 38.052 38.000 0.168 0.000 1.460 673 I HN 0.511 nan 8.210 nan 0.000 0.552 674 c N 5.074 123.682 118.600 0.013 0.000 2.391 674 c HA 0.511 5.081 4.570 0.000 0.000 0.339 674 c C 0.151 174.158 174.090 -0.139 0.000 1.205 674 c CA -0.704 55.559 56.329 -0.109 0.000 1.937 674 c CB 1.021 43.377 42.510 -0.257 0.000 2.341 674 c HN 0.624 nan 8.230 nan 0.000 0.516 675 N N 1.985 120.579 118.700 -0.177 0.000 2.500 675 N HA 0.199 4.939 4.740 0.000 0.000 0.291 675 N C -1.149 174.267 175.510 -0.157 0.000 1.092 675 N CA -0.302 52.673 53.050 -0.124 0.000 0.890 675 N CB 1.720 40.175 38.487 -0.053 0.000 1.466 675 N HN 0.753 nan 8.380 nan 0.000 0.507 676 Q N 1.560 121.273 119.800 -0.145 0.000 2.293 676 Q HA 0.108 4.448 4.340 0.000 0.000 0.263 676 Q C -0.575 175.396 176.000 -0.048 0.000 1.002 676 Q CA 0.162 55.901 55.803 -0.105 0.000 0.910 676 Q CB 0.819 29.544 28.738 -0.022 0.000 1.185 676 Q HN 0.285 nan 8.270 nan 0.000 0.401 677 K N 4.302 124.668 120.400 -0.058 0.000 2.316 677 K HA 0.141 4.461 4.320 0.000 0.000 0.267 677 K C -0.026 176.561 176.600 -0.022 0.000 1.025 677 K CA -0.250 56.017 56.287 -0.033 0.000 0.896 677 K CB 0.811 33.285 32.500 -0.043 0.000 1.124 677 K HN 0.490 nan 8.250 nan 0.000 0.451 678 K N 3.170 123.571 120.400 0.002 0.000 2.374 678 K HA -0.017 4.303 4.320 0.000 0.000 0.196 678 K C 1.074 177.688 176.600 0.023 0.000 1.023 678 K CA 0.275 56.569 56.287 0.012 0.000 1.103 678 K CB 0.402 32.915 32.500 0.022 0.000 0.848 678 K HN 0.659 nan 8.250 nan 0.000 0.528 679 E N 0.757 120.970 120.200 0.021 0.000 2.077 679 E HA -0.114 4.236 4.350 0.000 0.000 0.193 679 E C -0.273 176.348 176.600 0.034 0.000 0.989 679 E CA 0.675 57.094 56.400 0.032 0.000 0.800 679 E CB 0.123 29.840 29.700 0.028 0.000 0.746 679 E HN 0.365 nan 8.360 nan 0.000 0.452 680 N N 0.965 119.681 118.700 0.026 0.000 2.479 680 N HA -0.079 4.661 4.740 0.000 0.000 0.257 680 N C 0.736 176.274 175.510 0.047 0.000 1.232 680 N CA -0.098 52.977 53.050 0.041 0.000 0.920 680 N CB 0.660 39.174 38.487 0.045 0.000 1.105 680 N HN 0.174 nan 8.380 nan 0.000 0.444 681 E N 0.581 120.813 120.200 0.053 0.000 2.136 681 E HA -0.255 4.095 4.350 0.000 0.000 0.202 681 E C 0.421 177.048 176.600 0.044 0.000 1.019 681 E CA 1.245 57.673 56.400 0.047 0.000 0.819 681 E CB 0.204 29.928 29.700 0.040 0.000 0.739 681 E HN 0.466 nan 8.360 nan 0.000 0.458 682 T N -1.032 113.557 114.554 0.058 0.000 2.952 682 T HA 0.376 4.726 4.350 0.000 0.000 0.286 682 T C -0.805 173.911 174.700 0.026 0.000 1.024 682 T CA -0.759 61.367 62.100 0.044 0.000 1.029 682 T CB 0.940 69.847 68.868 0.065 0.000 1.094 682 T HN 0.019 nan 8.240 nan 0.000 0.515 683 R N 1.791 122.287 120.500 -0.008 0.000 2.421 683 R HA 0.437 4.777 4.340 0.000 0.000 0.305 683 R C -0.820 175.448 176.300 -0.052 0.000 1.039 683 R CA -0.298 55.784 56.100 -0.030 0.000 1.003 683 R CB 0.261 30.527 30.300 -0.057 0.000 0.959 683 R HN 0.275 nan 8.270 nan 0.000 0.427 684 V N 3.999 123.857 119.914 -0.092 0.000 2.604 684 V HA 0.355 4.475 4.120 0.000 0.000 0.305 684 V C -0.151 175.851 176.094 -0.153 0.000 1.043 684 V CA -0.927 61.254 62.300 -0.197 0.000 0.888 684 V CB 2.227 33.858 31.823 -0.321 0.000 0.995 684 V HN 0.408 nan 8.190 nan 0.000 0.429 685 V N 5.657 125.476 119.914 -0.159 0.000 2.417 685 V HA 0.529 4.649 4.120 0.000 0.000 0.291 685 V C -0.399 175.591 176.094 -0.172 0.000 1.024 685 V CA -0.465 61.721 62.300 -0.189 0.000 0.861 685 V CB 1.563 33.264 31.823 -0.203 0.000 0.985 685 V HN 0.640 nan 8.190 nan 0.000 0.436 686 L N 4.578 125.699 121.223 -0.169 0.000 2.343 686 L HA 0.575 4.915 4.340 0.000 0.000 0.278 686 L C -0.805 176.008 176.870 -0.096 0.000 0.996 686 L CA -0.188 54.586 54.840 -0.110 0.000 0.831 686 L CB 1.705 43.715 42.059 -0.082 0.000 1.232 686 L HN 0.604 nan 8.230 nan 0.000 0.413 687 c N 1.761 120.328 118.600 -0.055 0.000 2.351 687 c HA 0.338 4.908 4.570 0.000 0.000 0.326 687 c C 0.356 174.459 174.090 0.022 0.000 1.272 687 c CA -0.966 55.357 56.329 -0.011 0.000 1.650 687 c CB 1.218 43.736 42.510 0.012 0.000 2.257 687 c HN 0.707 nan 8.230 nan 0.000 0.505 688 E N 1.701 121.930 120.200 0.049 0.000 2.324 688 E HA 0.113 4.463 4.350 0.000 0.000 0.271 688 E C 0.233 176.850 176.600 0.028 0.000 1.028 688 E CA 0.049 56.470 56.400 0.035 0.000 0.890 688 E CB 0.635 30.359 29.700 0.041 0.000 1.004 688 E HN 0.602 nan 8.360 nan 0.000 0.431 689 L N 2.090 123.308 121.223 -0.009 0.000 2.556 689 L HA 0.294 4.634 4.340 0.000 0.000 0.226 689 L C 0.866 177.686 176.870 -0.084 0.000 1.089 689 L CA 0.078 54.903 54.840 -0.026 0.000 0.864 689 L CB 0.347 42.400 42.059 -0.011 0.000 1.067 689 L HN 0.708 nan 8.230 nan 0.000 0.477 690 G N 0.439 109.185 108.800 -0.090 0.000 2.318 690 G HA2 0.001 3.961 3.960 0.000 0.000 0.302 690 G HA3 0.001 3.961 3.960 0.000 0.000 0.302 690 G C -1.776 173.094 174.900 -0.050 0.000 1.633 690 G CA -0.753 44.282 45.100 -0.108 0.000 0.965 690 G HN -0.029 nan 8.290 nan 0.000 0.698 691 N N 1.491 120.168 118.700 -0.039 0.000 2.727 691 N HA 0.555 5.295 4.740 0.000 0.000 0.252 691 N C -1.916 173.619 175.510 0.042 0.000 1.283 691 N CA -1.066 51.996 53.050 0.020 0.000 0.782 691 N CB 1.749 40.241 38.487 0.009 0.000 1.199 691 N HN 0.571 nan 8.380 nan 0.000 0.520 692 P HA 0.264 nan 4.420 nan 0.000 0.278 692 P C -0.529 176.762 177.300 -0.016 0.000 1.266 692 P CA -0.629 62.510 63.100 0.065 0.000 0.807 692 P CB 0.979 32.733 31.700 0.091 0.000 1.094 693 M N 1.251 120.822 119.600 -0.048 0.000 2.201 693 M HA 0.149 4.629 4.480 0.000 0.000 0.345 693 M C 0.154 176.417 176.300 -0.062 0.000 1.352 693 M CA -0.322 54.943 55.300 -0.057 0.000 1.218 693 M CB -0.023 32.543 32.600 -0.057 0.000 1.512 693 M HN 0.218 nan 8.290 nan 0.000 0.447 694 K N 3.129 123.501 120.400 -0.047 0.000 2.234 694 K HA 0.042 4.362 4.320 0.000 0.000 0.251 694 K C -0.079 176.496 176.600 -0.042 0.000 1.011 694 K CA 0.040 56.303 56.287 -0.040 0.000 0.889 694 K CB 0.484 32.968 32.500 -0.026 0.000 1.011 694 K HN 0.556 nan 8.250 nan 0.000 0.505 695 K N 1.630 122.007 120.400 -0.038 0.000 2.382 695 K HA -0.105 4.215 4.320 0.000 0.000 0.275 695 K C -0.325 176.260 176.600 -0.024 0.000 1.009 695 K CA 0.137 56.404 56.287 -0.034 0.000 0.970 695 K CB 0.247 32.730 32.500 -0.029 0.000 0.934 695 K HN 0.557 nan 8.250 nan 0.000 0.479 696 N N -0.128 118.558 118.700 -0.022 0.000 2.741 696 N HA -0.219 4.521 4.740 0.000 0.000 0.251 696 N C -1.076 174.426 175.510 -0.014 0.000 1.112 696 N CA 1.276 54.317 53.050 -0.016 0.000 0.750 696 N CB -1.692 36.788 38.487 -0.012 0.000 1.119 696 N HN 0.648 nan 8.380 nan 0.000 0.561 697 A N 0.260 123.069 122.820 -0.019 0.000 2.363 697 A HA 0.508 4.828 4.320 0.000 0.000 0.270 697 A C 0.438 178.015 177.584 -0.012 0.000 1.121 697 A CA -0.045 51.982 52.037 -0.017 0.000 0.800 697 A CB 0.675 19.660 19.000 -0.025 0.000 1.052 697 A HN 0.257 nan 8.150 nan 0.000 0.493 698 Q N 2.163 121.960 119.800 -0.005 0.000 2.350 698 Q HA 0.542 4.883 4.340 0.000 0.000 0.255 698 Q C -1.764 174.242 176.000 0.009 0.000 0.951 698 Q CA -0.165 55.638 55.803 0.001 0.000 0.751 698 Q CB 0.991 29.730 28.738 0.002 0.000 1.296 698 Q HN 0.731 nan 8.270 nan 0.000 0.453 699 I N 2.712 123.289 120.570 0.013 0.000 2.339 699 I HA 0.515 4.685 4.170 0.000 0.000 0.290 699 I C 0.627 176.760 176.117 0.028 0.000 0.994 699 I CA -0.948 60.368 61.300 0.027 0.000 1.191 699 I CB 1.741 39.762 38.000 0.034 0.000 1.343 699 I HN 0.646 nan 8.210 nan 0.000 0.458 700 G N 7.300 116.119 108.800 0.031 0.000 2.338 700 G HA2 0.694 4.654 3.960 0.000 0.000 0.298 700 G HA3 0.694 4.654 3.960 0.000 0.000 0.298 700 G C -0.587 174.334 174.900 0.035 0.000 1.140 700 G CA -0.393 44.723 45.100 0.027 0.000 0.860 700 G HN 0.526 nan 8.290 nan 0.000 0.470 701 I N 1.362 121.951 120.570 0.032 0.000 2.465 701 I HA 0.530 4.700 4.170 0.000 0.000 0.291 701 I C 0.114 176.247 176.117 0.027 0.000 1.014 701 I CA -0.963 60.360 61.300 0.039 0.000 1.093 701 I CB 2.339 40.368 38.000 0.048 0.000 1.267 701 I HN 0.534 nan 8.210 nan 0.000 0.431 702 A N 7.682 130.518 122.820 0.027 0.000 2.304 702 A HA 0.785 5.105 4.320 0.000 0.000 0.314 702 A C -0.710 176.889 177.584 0.026 0.000 1.187 702 A CA -0.503 51.542 52.037 0.014 0.000 0.810 702 A CB 1.242 20.244 19.000 0.004 0.000 1.183 702 A HN 0.811 nan 8.150 nan 0.000 0.487 703 M N 4.241 123.856 119.600 0.024 0.000 2.197 703 M HA 0.496 4.976 4.480 0.000 0.000 0.301 703 M C -1.746 174.556 176.300 0.003 0.000 0.987 703 M CA -0.575 54.757 55.300 0.053 0.000 0.921 703 M CB 0.918 33.587 32.600 0.115 0.000 1.569 703 M HN 0.640 nan 8.290 nan 0.000 0.431 704 L N 5.236 126.440 121.223 -0.033 0.000 2.349 704 L HA 0.552 4.892 4.340 0.000 0.000 0.275 704 L C -0.850 175.986 176.870 -0.056 0.000 1.115 704 L CA -0.627 54.176 54.840 -0.061 0.000 0.820 704 L CB 1.250 43.257 42.059 -0.087 0.000 1.135 704 L HN 0.456 nan 8.230 nan 0.000 0.445 705 V N 1.630 121.534 119.914 -0.017 0.000 2.567 705 V HA 0.177 4.297 4.120 0.000 0.000 0.298 705 V C -0.261 175.876 176.094 0.071 0.000 1.047 705 V CA -0.686 61.645 62.300 0.053 0.000 0.880 705 V CB 2.169 34.056 31.823 0.107 0.000 1.009 705 V HN 0.834 nan 8.190 nan 0.000 0.429 706 S N 4.037 119.792 115.700 0.092 0.000 2.400 706 S HA 0.468 4.938 4.470 0.000 0.000 0.295 706 S C -0.307 174.389 174.600 0.160 0.000 1.113 706 S CA -0.603 57.657 58.200 0.100 0.000 1.064 706 S CB 0.972 64.215 63.200 0.072 0.000 0.990 706 S HN 0.460 nan 8.310 nan 0.000 0.502 707 V N 4.852 124.852 119.914 0.144 0.000 2.352 707 V HA 0.380 4.500 4.120 0.000 0.000 0.253 707 V C 1.435 177.600 176.094 0.118 0.000 1.083 707 V CA -0.022 62.367 62.300 0.149 0.000 0.993 707 V CB -0.407 31.511 31.823 0.159 0.000 1.111 707 V HN 1.029 nan 8.190 nan 0.000 0.490 708 G N 3.963 112.856 108.800 0.154 0.000 2.570 708 G HA2 0.079 4.039 3.960 0.000 0.000 0.276 708 G HA3 0.079 4.039 3.960 0.000 0.000 0.276 708 G C 0.135 175.085 174.900 0.083 0.000 1.346 708 G CA -0.709 44.465 45.100 0.123 0.000 1.034 708 G HN 0.661 nan 8.290 nan 0.000 0.512 709 N N -0.256 118.485 118.700 0.068 0.000 2.412 709 N HA 0.194 4.934 4.740 0.000 0.000 0.279 709 N C -0.746 174.794 175.510 0.050 0.000 1.287 709 N CA 0.029 53.112 53.050 0.053 0.000 0.948 709 N CB 0.848 39.366 38.487 0.051 0.000 1.255 709 N HN 0.210 nan 8.380 nan 0.000 0.485 710 L N 3.096 124.343 121.223 0.041 0.000 2.366 710 L HA 0.308 4.648 4.340 0.000 0.000 0.266 710 L C 0.754 177.648 176.870 0.039 0.000 1.010 710 L CA -0.175 54.684 54.840 0.031 0.000 0.879 710 L CB 1.091 43.161 42.059 0.018 0.000 1.228 710 L HN 0.361 nan 8.230 nan 0.000 0.439 711 E N 2.408 122.638 120.200 0.050 0.000 2.371 711 E HA -0.061 4.289 4.350 0.000 0.000 0.194 711 E C 0.120 176.770 176.600 0.083 0.000 1.012 711 E CA 0.465 56.920 56.400 0.092 0.000 0.860 711 E CB 0.273 30.034 29.700 0.102 0.000 0.811 711 E HN 0.796 nan 8.360 nan 0.000 0.502 712 E N -0.172 120.055 120.200 0.045 0.000 3.105 712 E HA 0.534 4.885 4.350 0.000 0.000 0.219 712 E C 0.715 177.330 176.600 0.026 0.000 1.064 712 E CA -0.100 56.324 56.400 0.039 0.000 1.342 712 E CB 0.817 30.530 29.700 0.022 0.000 1.295 712 E HN 0.009 nan 8.360 nan 0.000 0.438 713 A N 1.230 124.066 122.820 0.027 0.000 1.984 713 A HA 0.540 4.860 4.320 0.000 0.000 0.214 713 A C 1.359 178.951 177.584 0.014 0.000 1.173 713 A CA 0.834 52.877 52.037 0.011 0.000 0.673 713 A CB -0.174 18.830 19.000 0.007 0.000 0.830 713 A HN 0.687 nan 8.150 nan 0.000 0.453 714 G N -0.186 108.631 108.800 0.028 0.000 2.500 714 G HA2 -0.176 3.784 3.960 0.000 0.000 0.209 714 G HA3 -0.176 3.784 3.960 0.000 0.000 0.209 714 G C 0.406 175.323 174.900 0.029 0.000 1.283 714 G CA 0.340 45.458 45.100 0.030 0.000 0.960 714 G HN 0.747 nan 8.290 nan 0.000 0.528 715 E N -0.468 119.748 120.200 0.027 0.000 2.268 715 E HA 0.241 4.591 4.350 0.000 0.000 0.195 715 E C 1.147 177.761 176.600 0.023 0.000 0.995 715 E CA 1.503 57.918 56.400 0.025 0.000 0.836 715 E CB -0.070 29.645 29.700 0.025 0.000 0.763 715 E HN 1.564 nan 8.360 nan 0.000 0.491 716 S N -0.394 115.320 115.700 0.022 0.000 2.588 716 S HA 0.523 4.993 4.470 0.000 0.000 0.269 716 S C -0.610 174.002 174.600 0.020 0.000 1.157 716 S CA -0.562 57.655 58.200 0.029 0.000 0.824 716 S CB 1.802 65.023 63.200 0.034 0.000 1.126 716 S HN 0.425 nan 8.310 nan 0.000 0.464 717 V N -0.901 119.031 119.914 0.031 0.000 2.715 717 V HA 0.925 5.045 4.120 0.000 0.000 0.310 717 V C -0.385 175.708 176.094 -0.000 0.000 1.054 717 V CA -0.610 61.681 62.300 -0.016 0.000 0.928 717 V CB 1.555 33.348 31.823 -0.050 0.000 1.007 717 V HN 0.930 nan 8.190 nan 0.000 0.437 718 S N 3.177 118.825 115.700 -0.086 0.000 2.449 718 S HA 0.773 5.243 4.470 0.000 0.000 0.310 718 S C -0.887 173.620 174.600 -0.156 0.000 1.096 718 S CA -0.174 58.006 58.200 -0.034 0.000 1.095 718 S CB 0.773 63.956 63.200 -0.028 0.000 1.007 718 S HN 0.576 nan 8.310 nan 0.000 0.474 719 F N 2.072 122.036 119.950 0.023 0.000 2.422 719 F HA 0.512 5.039 4.527 0.000 0.000 0.333 719 F C 0.546 176.369 175.800 0.039 0.000 1.095 719 F CA -0.550 57.473 58.000 0.038 0.000 1.038 719 F CB 1.348 40.371 39.000 0.038 0.000 1.156 719 F HN 0.399 nan 8.300 nan 0.000 0.483 720 Q N 3.354 123.291 119.800 0.228 0.000 2.321 720 Q HA 0.682 5.022 4.340 0.000 0.000 0.270 720 Q C -2.058 174.075 176.000 0.221 0.000 1.032 720 Q CA -0.825 55.069 55.803 0.152 0.000 0.784 720 Q CB 1.698 30.447 28.738 0.018 0.000 1.264 720 Q HN 0.640 nan 8.270 nan 0.000 0.448 721 L N 2.559 123.876 121.223 0.158 0.000 2.401 721 L HA 0.631 4.971 4.340 0.000 0.000 0.266 721 L C -0.795 176.139 176.870 0.107 0.000 0.991 721 L CA -0.428 54.498 54.840 0.143 0.000 0.818 721 L CB 2.202 44.322 42.059 0.102 0.000 1.321 721 L HN 0.679 nan 8.230 nan 0.000 0.413 722 Q N 1.841 121.702 119.800 0.103 0.000 2.479 722 Q HA 0.587 4.927 4.340 0.000 0.000 0.276 722 Q C -1.900 174.133 176.000 0.055 0.000 0.989 722 Q CA -0.552 55.295 55.803 0.073 0.000 0.864 722 Q CB 2.400 31.188 28.738 0.084 0.000 1.444 722 Q HN 0.638 nan 8.270 nan 0.000 0.388 723 I N 3.123 123.713 120.570 0.035 0.000 2.331 723 I HA 0.468 4.638 4.170 0.000 0.000 0.292 723 I C -0.125 176.003 176.117 0.018 0.000 0.998 723 I CA -0.436 60.877 61.300 0.021 0.000 1.267 723 I CB 1.176 39.182 38.000 0.010 0.000 1.386 723 I HN 0.422 nan 8.210 nan 0.000 0.476 724 R N 4.075 124.585 120.500 0.016 0.000 2.711 724 R HA 0.703 5.043 4.340 0.000 0.000 0.284 724 R C -0.615 175.689 176.300 0.008 0.000 0.968 724 R CA -0.618 55.492 56.100 0.016 0.000 0.924 724 R CB 2.309 32.624 30.300 0.024 0.000 1.162 724 R HN 0.814 nan 8.270 nan 0.000 0.465 725 S N 0.123 115.828 115.700 0.008 0.000 2.685 725 S HA 0.409 4.879 4.470 0.000 0.000 0.282 725 S C -0.082 174.537 174.600 0.031 0.000 1.159 725 S CA -1.017 57.190 58.200 0.011 0.000 0.833 725 S CB 1.986 65.173 63.200 -0.023 0.000 1.151 725 S HN 0.462 nan 8.310 nan 0.000 0.485 726 K N 0.303 120.742 120.400 0.065 0.000 2.358 726 K HA 0.256 4.576 4.320 0.000 0.000 0.197 726 K C -0.393 176.274 176.600 0.112 0.000 1.025 726 K CA -0.020 56.318 56.287 0.085 0.000 1.104 726 K CB -0.506 32.054 32.500 0.099 0.000 0.855 726 K HN 0.531 nan 8.250 nan 0.000 0.531 727 N N 0.448 119.205 118.700 0.095 0.000 2.415 727 N HA -0.003 4.737 4.740 0.000 0.000 0.248 727 N C 0.960 176.505 175.510 0.058 0.000 1.271 727 N CA 0.267 53.373 53.050 0.093 0.000 0.913 727 N CB 0.628 39.096 38.487 -0.031 0.000 1.129 727 N HN -0.198 nan 8.380 nan 0.000 0.444 728 S N -0.361 115.376 115.700 0.060 0.000 2.388 728 S HA 0.015 4.485 4.470 0.000 0.000 0.223 728 S C 0.244 174.857 174.600 0.022 0.000 1.034 728 S CA 0.787 59.011 58.200 0.040 0.000 0.963 728 S CB 0.100 63.325 63.200 0.042 0.000 0.827 728 S HN 0.489 nan 8.310 nan 0.000 0.481 729 Q N 1.765 121.573 119.800 0.014 0.000 2.256 729 Q HA 0.341 4.681 4.340 0.000 0.000 0.257 729 Q C -0.494 175.500 176.000 -0.011 0.000 0.936 729 Q CA -0.308 55.497 55.803 0.002 0.000 0.903 729 Q CB 0.684 29.422 28.738 0.000 0.000 1.263 729 Q HN 0.281 nan 8.270 nan 0.000 0.440 730 N N 2.195 120.890 118.700 -0.009 0.000 2.669 730 N HA -0.173 4.567 4.740 0.000 0.000 0.266 730 N C -1.937 173.560 175.510 -0.021 0.000 1.024 730 N CA 0.369 53.410 53.050 -0.014 0.000 0.766 730 N CB -0.040 38.436 38.487 -0.019 0.000 0.898 730 N HN 0.413 nan 8.380 nan 0.000 0.548 731 P HA -0.025 nan 4.420 nan 0.000 0.219 731 P C -0.421 176.872 177.300 -0.012 0.000 1.154 731 P CA 1.029 64.121 63.100 -0.013 0.000 0.826 731 P CB 0.332 32.035 31.700 0.004 0.000 0.795 732 N N -0.144 118.554 118.700 -0.003 0.000 2.384 732 N HA 0.210 4.950 4.740 0.000 0.000 0.301 732 N C 0.165 175.675 175.510 0.001 0.000 1.133 732 N CA -0.330 52.721 53.050 0.003 0.000 0.853 732 N CB 1.431 39.925 38.487 0.013 0.000 1.241 732 N HN 0.050 nan 8.380 nan 0.000 0.502 733 S N 0.089 115.792 115.700 0.004 0.000 2.634 733 S HA 0.315 4.785 4.470 0.000 0.000 0.261 733 S C 0.293 174.899 174.600 0.009 0.000 1.271 733 S CA -0.576 57.627 58.200 0.004 0.000 0.985 733 S CB 1.011 64.215 63.200 0.007 0.000 0.968 733 S HN 0.331 nan 8.310 nan 0.000 0.568 734 K N 0.094 120.498 120.400 0.008 0.000 2.336 734 K HA 0.233 4.553 4.320 0.000 0.000 0.262 734 K C -0.427 176.182 176.600 0.015 0.000 0.992 734 K CA 0.016 56.308 56.287 0.009 0.000 0.927 734 K CB 0.112 32.616 32.500 0.007 0.000 0.956 734 K HN 0.529 nan 8.250 nan 0.000 0.495 735 I N 2.487 123.065 120.570 0.012 0.000 2.322 735 I HA 0.049 4.219 4.170 0.000 0.000 0.292 735 I C -0.330 175.799 176.117 0.020 0.000 1.060 735 I CA -0.639 60.670 61.300 0.016 0.000 1.309 735 I CB 0.934 38.933 38.000 -0.001 0.000 1.415 735 I HN 0.137 nan 8.210 nan 0.000 0.492 736 V N 8.080 128.013 119.914 0.033 0.000 2.432 736 V HA 0.329 4.449 4.120 0.000 0.000 0.275 736 V C 0.181 176.306 176.094 0.051 0.000 1.043 736 V CA -0.407 61.915 62.300 0.036 0.000 0.925 736 V CB 1.315 33.161 31.823 0.037 0.000 0.985 736 V HN 0.487 nan 8.190 nan 0.000 0.466 737 L N 6.205 127.455 121.223 0.045 0.000 2.322 737 L HA 0.602 4.942 4.340 0.000 0.000 0.281 737 L C -0.657 176.256 176.870 0.072 0.000 1.014 737 L CA -0.395 54.481 54.840 0.061 0.000 0.815 737 L CB 1.699 43.781 42.059 0.037 0.000 1.247 737 L HN 0.426 nan 8.230 nan 0.000 0.421 738 L N 2.990 124.283 121.223 0.116 0.000 2.325 738 L HA 0.418 4.758 4.340 0.000 0.000 0.281 738 L C -1.179 175.784 176.870 0.156 0.000 1.004 738 L CA -0.693 54.216 54.840 0.115 0.000 0.823 738 L CB 1.930 44.048 42.059 0.099 0.000 1.236 738 L HN 0.482 nan 8.230 nan 0.000 0.415 739 D N 3.027 123.489 120.400 0.103 0.000 2.467 739 D HA 0.261 4.901 4.640 0.000 0.000 0.220 739 D C -0.286 176.072 176.300 0.097 0.000 1.103 739 D CA -0.075 53.984 54.000 0.099 0.000 0.886 739 D CB 1.764 42.599 40.800 0.058 0.000 1.025 739 D HN 0.007 nan 8.370 nan 0.000 0.514 740 V N 5.165 125.167 119.914 0.146 0.000 2.432 740 V HA 0.272 4.392 4.120 0.000 0.000 0.271 740 V C -1.775 174.370 176.094 0.086 0.000 1.046 740 V CA -1.363 61.006 62.300 0.115 0.000 0.945 740 V CB 1.052 32.974 31.823 0.164 0.000 0.992 740 V HN 0.391 nan 8.190 nan 0.000 0.471 741 P HA 0.289 nan 4.420 nan 0.000 0.277 741 P C -0.987 176.332 177.300 0.031 0.000 1.240 741 P CA -0.204 62.919 63.100 0.038 0.000 0.798 741 P CB 1.446 33.162 31.700 0.026 0.000 0.979 742 V N 4.019 123.946 119.914 0.021 0.000 2.444 742 V HA 0.507 4.627 4.120 0.000 0.000 0.294 742 V C 0.311 176.399 176.094 -0.010 0.000 1.022 742 V CA -0.516 61.788 62.300 0.006 0.000 0.850 742 V CB 1.361 33.189 31.823 0.007 0.000 0.992 742 V HN 0.534 nan 8.190 nan 0.000 0.426 743 R N 2.837 123.319 120.500 -0.030 0.000 2.604 743 R HA 0.779 5.119 4.340 0.000 0.000 0.281 743 R C -0.718 175.528 176.300 -0.090 0.000 1.020 743 R CA -0.650 55.426 56.100 -0.040 0.000 0.899 743 R CB 2.440 32.731 30.300 -0.016 0.000 1.205 743 R HN 0.777 nan 8.270 nan 0.000 0.450 744 A N 1.914 124.654 122.820 -0.133 0.000 2.354 744 A HA 0.371 4.691 4.320 0.000 0.000 0.269 744 A C -0.388 177.142 177.584 -0.090 0.000 1.109 744 A CA -0.153 51.748 52.037 -0.226 0.000 0.800 744 A CB 0.785 19.512 19.000 -0.454 0.000 1.045 744 A HN 0.787 nan 8.150 nan 0.000 0.489 745 E N 0.401 120.555 120.200 -0.076 0.000 2.343 745 E HA 0.691 5.041 4.350 0.000 0.000 0.270 745 E C -1.068 175.536 176.600 0.007 0.000 0.895 745 E CA -0.758 55.633 56.400 -0.016 0.000 0.767 745 E CB 2.106 31.797 29.700 -0.014 0.000 1.248 745 E HN 0.957 nan 8.360 nan 0.000 0.440 746 A N 2.863 125.703 122.820 0.034 0.000 2.515 746 A HA 0.526 4.846 4.320 0.000 0.000 0.298 746 A C -1.402 176.208 177.584 0.042 0.000 1.059 746 A CA -0.576 51.488 52.037 0.044 0.000 0.698 746 A CB 2.021 21.068 19.000 0.079 0.000 1.289 746 A HN 0.573 nan 8.150 nan 0.000 0.404 747 Q N 1.184 120.995 119.800 0.018 0.000 2.533 747 Q HA 0.458 4.798 4.340 0.000 0.000 0.251 747 Q C -1.443 174.545 176.000 -0.020 0.000 0.966 747 Q CA -0.347 55.468 55.803 0.020 0.000 0.714 747 Q CB 2.098 30.836 28.738 -0.000 0.000 1.284 747 Q HN 0.567 nan 8.270 nan 0.000 0.478 748 V N 2.243 122.190 119.914 0.056 0.000 2.465 748 V HA 0.293 4.413 4.120 0.000 0.000 0.279 748 V C -0.004 176.069 176.094 -0.036 0.000 1.045 748 V CA -0.418 61.861 62.300 -0.035 0.000 0.938 748 V CB 1.532 33.352 31.823 -0.005 0.000 0.986 748 V HN 0.637 nan 8.190 nan 0.000 0.467 749 E N 3.866 123.992 120.200 -0.124 0.000 2.183 749 E HA 0.588 4.938 4.350 0.000 0.000 0.271 749 E C -1.537 174.968 176.600 -0.158 0.000 0.919 749 E CA -0.819 55.545 56.400 -0.060 0.000 0.781 749 E CB 1.818 31.537 29.700 0.032 0.000 1.140 749 E HN 0.535 nan 8.360 nan 0.000 0.402 750 L N 4.684 125.829 121.223 -0.130 0.000 2.305 750 L HA 0.514 4.854 4.340 0.000 0.000 0.284 750 L C -0.994 175.874 176.870 -0.002 0.000 1.013 750 L CA -0.186 54.581 54.840 -0.122 0.000 0.819 750 L CB 1.049 43.029 42.059 -0.131 0.000 1.227 750 L HN 0.600 nan 8.230 nan 0.000 0.417 751 R N 2.949 123.466 120.500 0.028 0.000 2.854 751 R HA 0.906 5.246 4.340 0.000 0.000 0.271 751 R C -0.743 175.584 176.300 0.045 0.000 0.996 751 R CA -0.986 55.127 56.100 0.020 0.000 0.961 751 R CB 2.175 32.471 30.300 -0.006 0.000 1.182 751 R HN 0.831 nan 8.270 nan 0.000 0.479 752 G N 0.959 109.710 108.800 -0.081 0.000 2.733 752 G HA2 0.474 4.434 3.960 0.000 0.000 0.297 752 G HA3 0.474 4.434 3.960 0.000 0.000 0.297 752 G C -1.516 173.175 174.900 -0.349 0.000 1.422 752 G CA -0.324 44.585 45.100 -0.319 0.000 0.942 752 G HN 0.394 nan 8.290 nan 0.000 0.510 753 N N -0.974 117.460 118.700 -0.443 0.000 2.859 753 N HA 0.615 5.355 4.740 0.000 0.000 0.250 753 N C -0.568 174.485 175.510 -0.761 0.000 1.341 753 N CA -0.451 52.269 53.050 -0.550 0.000 0.881 753 N CB 2.290 40.465 38.487 -0.520 0.000 1.516 753 N HN 0.770 nan 8.380 nan 0.000 0.503 754 S N 0.086 115.266 115.700 -0.866 0.000 2.608 754 S HA 0.819 5.289 4.470 0.000 0.000 0.291 754 S C -1.024 173.037 174.600 -0.898 0.000 1.146 754 S CA -0.467 57.261 58.200 -0.786 0.000 1.043 754 S CB 0.729 63.527 63.200 -0.671 0.000 1.037 754 S HN 0.345 nan 8.310 nan 0.000 0.520 755 F N 2.048 121.954 119.950 -0.074 0.000 2.659 755 F HA 0.469 4.996 4.527 0.000 0.000 0.342 755 F C -2.269 173.543 175.800 0.020 0.000 1.168 755 F CA -1.729 56.255 58.000 -0.027 0.000 1.003 755 F CB 2.197 41.180 39.000 -0.029 0.000 1.267 755 F HN 0.447 nan 8.300 nan 0.000 0.463 756 P HA 0.279 nan 4.420 nan 0.000 0.279 756 P C 0.107 177.384 177.300 -0.038 0.000 1.282 756 P CA -0.094 63.056 63.100 0.082 0.000 0.788 756 P CB 1.313 33.061 31.700 0.079 0.000 1.139 757 A N 0.678 123.458 122.820 -0.067 0.000 1.831 757 A HA 0.044 4.364 4.320 0.000 0.000 0.213 757 A C 1.230 178.802 177.584 -0.021 0.000 1.223 757 A CA 1.332 53.312 52.037 -0.096 0.000 0.604 757 A CB -1.267 17.679 19.000 -0.090 0.000 0.878 757 A HN 0.596 nan 8.150 nan 0.000 0.450 758 S N -1.339 114.363 115.700 0.005 0.000 2.646 758 S HA 0.610 5.080 4.470 0.000 0.000 0.276 758 S C -0.916 173.709 174.600 0.041 0.000 1.222 758 S CA -0.245 57.971 58.200 0.027 0.000 1.014 758 S CB 1.463 64.678 63.200 0.024 0.000 0.991 758 S HN 0.534 nan 8.310 nan 0.000 0.533 759 L N 2.870 124.123 121.223 0.051 0.000 2.611 759 L HA 0.464 4.804 4.340 0.000 0.000 0.263 759 L C -0.711 176.194 176.870 0.059 0.000 0.969 759 L CA -0.552 54.325 54.840 0.062 0.000 0.894 759 L CB 1.188 43.295 42.059 0.080 0.000 1.229 759 L HN 0.518 nan 8.230 nan 0.000 0.416 760 V N 2.950 122.895 119.914 0.052 0.000 2.904 760 V HA 0.868 4.988 4.120 0.000 0.000 0.305 760 V C -0.375 175.754 176.094 0.059 0.000 1.067 760 V CA -0.389 61.940 62.300 0.048 0.000 1.044 760 V CB 1.628 33.474 31.823 0.039 0.000 1.050 760 V HN 0.444 nan 8.190 nan 0.000 0.475 761 V N 2.594 122.544 119.914 0.060 0.000 2.769 761 V HA 0.864 4.984 4.120 0.000 0.000 0.312 761 V C 0.620 176.772 176.094 0.097 0.000 1.061 761 V CA -0.052 62.296 62.300 0.080 0.000 0.931 761 V CB 1.232 33.097 31.823 0.069 0.000 1.010 761 V HN 1.439 nan 8.190 nan 0.000 0.433 762 A N 2.449 125.337 122.820 0.113 0.000 2.240 762 A HA 0.908 5.228 4.320 0.000 0.000 0.292 762 A C 0.715 178.401 177.584 0.171 0.000 1.121 762 A CA 0.180 52.283 52.037 0.109 0.000 0.851 762 A CB 0.352 19.398 19.000 0.075 0.000 1.167 762 A HN 1.488 nan 8.150 nan 0.000 0.503 776 W N 3.525 124.729 121.300 -0.161 0.000 2.261 776 W HA 0.593 5.253 4.660 0.000 0.000 0.323 776 W C 1.167 177.650 176.519 -0.059 0.000 1.243 776 W CA -0.115 57.116 57.345 -0.191 0.000 1.210 776 W CB -0.224 28.958 29.460 -0.464 0.000 1.149 776 W HN 0.527 nan 8.180 nan 0.000 0.562 777 G N 3.055 112.071 108.800 0.359 0.000 2.611 777 G HA2 0.342 4.302 3.960 0.000 0.000 0.273 777 G HA3 0.342 4.302 3.960 0.000 0.000 0.273 777 G C -2.381 172.691 174.900 0.286 0.000 1.305 777 G CA -0.948 44.336 45.100 0.306 0.000 1.010 777 G HN 0.146 nan 8.290 nan 0.000 0.509 778 P HA 0.203 nan 4.420 nan 0.000 0.275 778 P C -0.382 177.057 177.300 0.231 0.000 1.227 778 P CA -0.243 62.964 63.100 0.179 0.000 0.781 778 P CB 1.062 32.847 31.700 0.142 0.000 0.906 779 K N 1.764 122.267 120.400 0.173 0.000 2.154 779 K HA 0.479 4.799 4.320 0.000 0.000 0.264 779 K C -1.134 175.580 176.600 0.190 0.000 1.008 779 K CA -0.633 55.776 56.287 0.202 0.000 0.937 779 K CB 0.675 33.238 32.500 0.106 0.000 1.002 779 K HN 0.219 nan 8.250 nan 0.000 0.469 780 V N 2.095 122.138 119.914 0.215 0.000 2.851 780 V HA 0.260 4.380 4.120 0.000 0.000 0.307 780 V C -1.241 174.995 176.094 0.236 0.000 1.129 780 V CA -0.899 61.528 62.300 0.211 0.000 0.932 780 V CB 1.937 33.887 31.823 0.212 0.000 1.024 780 V HN 0.946 nan 8.190 nan 0.000 0.426 781 E N 2.834 123.192 120.200 0.264 0.000 2.222 781 E HA 0.541 4.891 4.350 0.000 0.000 0.267 781 E C -1.272 175.525 176.600 0.329 0.000 0.884 781 E CA -0.776 55.791 56.400 0.277 0.000 0.764 781 E CB 2.403 32.247 29.700 0.240 0.000 1.169 781 E HN 0.706 nan 8.360 nan 0.000 0.413 782 H N 1.628 120.740 119.070 0.071 0.000 2.638 782 H HA 0.279 4.835 4.556 0.000 0.000 0.317 782 H C -0.825 174.474 175.328 -0.048 0.000 1.006 782 H CA -0.579 55.448 56.048 -0.034 0.000 1.222 782 H CB 1.654 31.395 29.762 -0.036 0.000 1.419 782 H HN 0.317 nan 8.280 nan 0.000 0.489 783 T N 4.388 118.922 114.554 -0.033 0.000 2.786 783 T HA 0.246 4.596 4.350 0.000 0.000 0.283 783 T C -0.624 173.979 174.700 -0.162 0.000 0.992 783 T CA -0.538 61.572 62.100 0.016 0.000 0.954 783 T CB 0.396 69.366 68.868 0.170 0.000 0.934 783 T HN 0.316 nan 8.240 nan 0.000 0.440 784 Y N 1.675 122.008 120.300 0.056 0.000 2.387 784 Y HA 0.576 5.126 4.550 0.000 0.000 0.330 784 Y C 0.666 176.564 175.900 -0.003 0.000 1.133 784 Y CA -0.984 57.123 58.100 0.010 0.000 1.152 784 Y CB 1.372 39.833 38.460 0.000 0.000 1.215 784 Y HN 0.561 nan 8.280 nan 0.000 0.466 785 E N 2.402 122.686 120.200 0.140 0.000 2.314 785 E HA 0.568 4.918 4.350 0.000 0.000 0.272 785 E C -1.953 174.651 176.600 0.007 0.000 0.884 785 E CA -0.622 55.811 56.400 0.056 0.000 0.753 785 E CB 1.524 31.242 29.700 0.029 0.000 1.213 785 E HN 0.621 nan 8.360 nan 0.000 0.432 786 L N 3.100 124.308 121.223 -0.025 0.000 2.334 786 L HA 0.491 4.831 4.340 0.000 0.000 0.276 786 L C -0.842 176.037 176.870 0.014 0.000 1.014 786 L CA -0.902 53.881 54.840 -0.095 0.000 0.815 786 L CB 1.595 43.553 42.059 -0.168 0.000 1.268 786 L HN 0.585 nan 8.230 nan 0.000 0.428 787 H N 2.264 121.262 119.070 -0.120 0.000 3.181 787 H HA 0.268 4.824 4.556 0.000 0.000 0.331 787 H C -0.981 174.316 175.328 -0.051 0.000 0.988 787 H CA -0.839 55.170 56.048 -0.065 0.000 1.449 787 H CB 0.973 30.708 29.762 -0.045 0.000 1.749 787 H HN 0.452 nan 8.280 nan 0.000 0.501 788 N N 3.940 122.480 118.700 -0.265 0.000 2.402 788 N HA -0.007 4.733 4.740 0.000 0.000 0.259 788 N C 0.309 175.516 175.510 -0.504 0.000 1.167 788 N CA 0.275 53.151 53.050 -0.290 0.000 0.949 788 N CB 0.399 38.838 38.487 -0.081 0.000 1.212 788 N HN 0.757 nan 8.380 nan 0.000 0.493 789 N N 2.547 120.873 118.700 -0.624 0.000 2.387 789 N HA 0.098 4.838 4.740 0.000 0.000 0.176 789 N C 0.705 176.142 175.510 -0.122 0.000 1.022 789 N CA 0.463 53.269 53.050 -0.408 0.000 0.883 789 N CB -0.268 38.042 38.487 -0.294 0.000 1.019 789 N HN 0.530 nan 8.380 nan 0.000 0.435 790 G N 0.574 109.319 108.800 -0.092 0.000 2.664 790 G HA2 0.112 4.072 3.960 0.000 0.000 0.242 790 G HA3 0.112 4.072 3.960 0.000 0.000 0.242 790 G C -1.516 173.381 174.900 -0.004 0.000 1.225 790 G CA -0.698 44.386 45.100 -0.028 0.000 0.849 790 G HN 0.157 nan 8.290 nan 0.000 0.581 791 P HA -0.008 nan 4.420 nan 0.000 0.215 791 P C 1.301 178.621 177.300 0.033 0.000 1.157 791 P CA 1.360 64.464 63.100 0.007 0.000 0.868 791 P CB -0.048 31.639 31.700 -0.023 0.000 0.788 792 G N -0.391 108.429 108.800 0.032 0.000 2.467 792 G HA2 0.307 4.267 3.960 0.000 0.000 0.257 792 G HA3 0.307 4.267 3.960 0.000 0.000 0.257 792 G C -0.258 174.782 174.900 0.234 0.000 1.227 792 G CA -0.101 45.082 45.100 0.137 0.000 0.835 792 G HN -0.020 nan 8.290 nan 0.000 0.556 793 T N -0.037 114.737 114.554 0.368 0.000 2.899 793 T HA 0.412 4.762 4.350 0.000 0.000 0.295 793 T C 0.505 175.298 174.700 0.155 0.000 1.033 793 T CA -0.144 62.068 62.100 0.186 0.000 1.084 793 T CB 1.395 70.316 68.868 0.088 0.000 0.979 793 T HN 0.900 nan 8.240 nan 0.000 0.532 794 V N 0.336 120.307 119.914 0.095 0.000 2.604 794 V HA 0.683 4.803 4.120 0.000 0.000 0.305 794 V C -0.736 175.395 176.094 0.062 0.000 1.043 794 V CA -1.080 61.274 62.300 0.090 0.000 0.888 794 V CB 1.565 33.449 31.823 0.101 0.000 0.995 794 V HN 0.898 nan 8.190 nan 0.000 0.429 795 N N 2.079 120.813 118.700 0.057 0.000 2.272 795 N HA 0.731 5.471 4.740 0.000 0.000 0.305 795 N C 0.342 175.891 175.510 0.064 0.000 1.103 795 N CA -0.366 52.711 53.050 0.046 0.000 0.791 795 N CB 1.854 40.352 38.487 0.017 0.000 1.356 795 N HN 1.566 nan 8.380 nan 0.000 0.486 796 G N 1.127 109.968 108.800 0.068 0.000 2.353 796 G HA2 -0.253 3.707 3.960 0.000 0.000 0.294 796 G HA3 -0.253 3.707 3.960 0.000 0.000 0.294 796 G C -0.511 174.462 174.900 0.123 0.000 1.077 796 G CA -0.177 44.974 45.100 0.085 0.000 1.098 796 G HN 0.462 nan 8.290 nan 0.000 0.511 797 L N 2.119 123.423 121.223 0.135 0.000 2.260 797 L HA 0.563 4.903 4.340 0.000 0.000 0.289 797 L C 0.539 177.536 176.870 0.212 0.000 1.057 797 L CA -1.043 53.904 54.840 0.178 0.000 0.811 797 L CB 0.707 42.851 42.059 0.142 0.000 1.184 797 L HN 0.475 nan 8.230 nan 0.000 0.429 798 H N 6.200 125.360 119.070 0.149 0.000 2.481 798 H HA 0.366 4.922 4.556 0.000 0.000 0.333 798 H C -1.733 173.706 175.328 0.186 0.000 1.066 798 H CA -0.843 55.290 56.048 0.141 0.000 1.209 798 H CB 2.016 31.844 29.762 0.110 0.000 1.445 798 H HN 0.535 nan 8.280 nan 0.000 0.488 799 L N 4.844 125.843 121.223 -0.373 0.000 2.341 799 L HA 0.355 4.695 4.340 0.000 0.000 0.278 799 L C -0.911 175.740 176.870 -0.365 0.000 1.005 799 L CA -0.349 54.353 54.840 -0.230 0.000 0.818 799 L CB 1.799 43.814 42.059 -0.073 0.000 1.259 799 L HN 0.642 nan 8.230 nan 0.000 0.418 800 S N 5.280 120.911 115.700 -0.116 0.000 2.707 800 S HA 0.701 5.171 4.470 0.000 0.000 0.312 800 S C -0.544 174.201 174.600 0.241 0.000 1.116 800 S CA -0.644 57.600 58.200 0.074 0.000 1.078 800 S CB 0.523 63.876 63.200 0.254 0.000 0.997 800 S HN 0.509 nan 8.310 nan 0.000 0.477 801 I N 3.891 124.556 120.570 0.159 0.000 2.359 801 I HA 0.348 4.518 4.170 0.000 0.000 0.294 801 I C 0.173 176.456 176.117 0.277 0.000 0.987 801 I CA -0.647 60.754 61.300 0.168 0.000 1.225 801 I CB 1.076 39.119 38.000 0.072 0.000 1.366 801 I HN 0.638 nan 8.210 nan 0.000 0.466 802 H N 7.200 126.380 119.070 0.183 0.000 2.581 802 H HA 0.486 5.042 4.556 0.000 0.000 0.308 802 H C -0.878 174.539 175.328 0.149 0.000 1.040 802 H CA -0.646 55.520 56.048 0.196 0.000 1.231 802 H CB 1.486 31.434 29.762 0.310 0.000 1.396 802 H HN 0.313 nan 8.280 nan 0.000 0.467 803 L N 5.991 127.300 121.223 0.143 0.000 2.322 803 L HA 0.353 4.693 4.340 0.000 0.000 0.281 803 L C -2.274 174.617 176.870 0.036 0.000 1.014 803 L CA -2.273 52.611 54.840 0.073 0.000 0.815 803 L CB 2.093 44.162 42.059 0.017 0.000 1.247 803 L HN 0.413 nan 8.230 nan 0.000 0.421 804 P HA 0.206 nan 4.420 nan 0.000 0.276 804 P C 0.141 177.418 177.300 -0.040 0.000 1.235 804 P CA 0.487 63.591 63.100 0.007 0.000 0.772 804 P CB 1.187 32.890 31.700 0.005 0.000 0.871 805 G N 3.553 112.328 108.800 -0.041 0.000 2.733 805 G HA2 -0.188 3.772 3.960 0.000 0.000 0.686 805 G HA3 -0.188 3.772 3.960 0.000 0.000 0.686 805 G C -0.355 174.488 174.900 -0.095 0.000 1.373 805 G CA -0.610 44.446 45.100 -0.073 0.000 0.838 805 G HN 0.536 nan 8.290 nan 0.000 0.588 806 Q N -0.088 119.644 119.800 -0.113 0.000 2.206 806 Q HA 0.482 4.822 4.340 0.000 0.000 0.265 806 Q C 0.996 176.883 176.000 -0.189 0.000 0.866 806 Q CA 0.264 55.990 55.803 -0.129 0.000 1.073 806 Q CB 0.389 29.070 28.738 -0.096 0.000 1.165 806 Q HN 1.244 nan 8.270 nan 0.000 0.465 807 S N 1.176 116.729 115.700 -0.246 0.000 3.682 807 S HA -0.148 4.322 4.470 0.000 0.000 0.354 807 S C 0.026 174.448 174.600 -0.296 0.000 1.034 807 S CA 0.713 58.689 58.200 -0.373 0.000 1.084 807 S CB -0.885 61.946 63.200 -0.615 0.000 0.903 807 S HN 0.465 nan 8.310 nan 0.000 0.470 808 Q N -0.485 119.165 119.800 -0.250 0.000 2.193 808 Q HA 0.366 4.706 4.340 0.000 0.000 0.246 808 Q C -1.777 174.007 176.000 -0.361 0.000 0.959 808 Q CA -2.277 53.386 55.803 -0.232 0.000 0.904 808 Q CB 0.269 28.916 28.738 -0.151 0.000 1.238 808 Q HN 0.070 nan 8.270 nan 0.000 0.469 809 P HA -0.118 nan 4.420 nan 0.000 0.225 809 P C 0.966 178.152 177.300 -0.191 0.000 1.148 809 P CA 1.260 64.134 63.100 -0.377 0.000 0.779 809 P CB 0.291 31.925 31.700 -0.111 0.000 0.780 810 S N -2.918 112.707 115.700 -0.126 0.000 2.501 810 S HA 0.037 4.507 4.470 0.000 0.000 0.220 810 S C 0.799 175.362 174.600 -0.062 0.000 0.997 810 S CA -0.081 58.090 58.200 -0.049 0.000 0.919 810 S CB -0.589 62.592 63.200 -0.033 0.000 0.778 810 S HN 0.003 nan 8.310 nan 0.000 0.523 811 D N 1.126 121.449 120.400 -0.128 0.000 2.377 811 D HA 0.259 4.899 4.640 0.000 0.000 0.245 811 D C 1.003 177.253 176.300 -0.083 0.000 1.196 811 D CA -0.311 53.621 54.000 -0.114 0.000 0.962 811 D CB 1.126 41.837 40.800 -0.148 0.000 1.127 811 D HN 0.096 nan 8.370 nan 0.000 0.471 812 L N 0.141 121.313 121.223 -0.085 0.000 2.202 812 L HA 0.081 4.421 4.340 0.000 0.000 0.205 812 L C 0.110 176.960 176.870 -0.034 0.000 1.083 812 L CA 0.527 55.319 54.840 -0.079 0.000 0.790 812 L CB 0.252 42.184 42.059 -0.212 0.000 0.942 812 L HN 0.136 nan 8.230 nan 0.000 0.452 813 L N -0.944 120.233 121.223 -0.075 0.000 2.325 813 L HA 0.269 4.609 4.340 0.000 0.000 0.278 813 L C -1.039 175.758 176.870 -0.121 0.000 1.023 813 L CA -0.117 54.675 54.840 -0.079 0.000 0.811 813 L CB 1.331 43.337 42.059 -0.089 0.000 1.249 813 L HN -0.091 nan 8.230 nan 0.000 0.431 814 Y N 3.892 123.986 120.300 -0.343 0.000 2.345 814 Y HA 0.548 5.098 4.550 0.000 0.000 0.331 814 Y C -0.278 175.468 175.900 -0.256 0.000 0.959 814 Y CA -0.699 57.155 58.100 -0.409 0.000 1.204 814 Y CB 0.875 38.932 38.460 -0.672 0.000 1.135 814 Y HN 0.427 nan 8.280 nan 0.000 0.477 815 I N 8.178 128.496 120.570 -0.419 0.000 2.379 815 I HA 0.015 4.185 4.170 0.000 0.000 0.290 815 I C 0.685 176.717 176.117 -0.142 0.000 1.063 815 I CA 0.297 61.478 61.300 -0.198 0.000 1.351 815 I CB 0.972 38.860 38.000 -0.186 0.000 1.410 815 I HN 0.792 nan 8.210 nan 0.000 0.505 816 L N 4.481 125.787 121.223 0.139 0.000 2.062 816 L HA 0.086 4.426 4.340 0.000 0.000 0.202 816 L C 0.479 177.415 176.870 0.109 0.000 1.079 816 L CA 1.312 56.297 54.840 0.242 0.000 0.755 816 L CB 0.021 42.271 42.059 0.317 0.000 0.913 816 L HN 0.640 nan 8.230 nan 0.000 0.445 817 D N -1.916 118.534 120.400 0.082 0.000 2.661 817 D HA 0.463 5.103 4.640 0.000 0.000 0.228 817 D C -1.232 175.088 176.300 0.034 0.000 1.210 817 D CA -0.446 53.582 54.000 0.046 0.000 0.826 817 D CB 1.915 42.742 40.800 0.045 0.000 1.542 817 D HN -0.086 nan 8.370 nan 0.000 0.447 818 I N 1.978 122.556 120.570 0.013 0.000 2.406 818 I HA 0.335 4.505 4.170 0.000 0.000 0.290 818 I C -0.679 175.437 176.117 -0.001 0.000 0.999 818 I CA -0.740 60.567 61.300 0.012 0.000 1.124 818 I CB 1.984 39.982 38.000 -0.003 0.000 1.289 818 I HN 0.196 nan 8.210 nan 0.000 0.441 819 Q N 8.578 128.384 119.800 0.009 0.000 2.607 819 Q HA 0.404 4.744 4.340 0.000 0.000 0.247 819 Q C -2.571 173.428 176.000 -0.002 0.000 1.033 819 Q CA -1.750 54.051 55.803 -0.003 0.000 0.769 819 Q CB 1.216 29.953 28.738 -0.000 0.000 1.169 819 Q HN 0.250 nan 8.270 nan 0.000 0.508 820 P HA 0.212 nan 4.420 nan 0.000 0.279 820 P C -0.953 176.338 177.300 -0.015 0.000 1.252 820 P CA -0.326 62.766 63.100 -0.013 0.000 0.811 820 P CB 1.507 33.186 31.700 -0.035 0.000 1.035 821 Q N -0.704 119.092 119.800 -0.007 0.000 2.462 821 Q HA 0.548 4.888 4.340 0.000 0.000 0.285 821 Q C -0.177 175.822 176.000 -0.002 0.000 1.035 821 Q CA -0.717 55.081 55.803 -0.008 0.000 0.799 821 Q CB 2.086 30.818 28.738 -0.011 0.000 1.452 821 Q HN 0.768 nan 8.270 nan 0.000 0.404 822 G N -0.110 108.690 108.800 -0.000 0.000 2.204 822 G HA2 -0.068 3.892 3.960 0.000 0.000 0.244 822 G HA3 -0.068 3.892 3.960 0.000 0.000 0.244 822 G C 0.635 175.542 174.900 0.012 0.000 1.062 822 G CA 0.411 45.516 45.100 0.007 0.000 0.798 822 G HN 1.466 nan 8.290 nan 0.000 0.496 823 G N -2.074 106.732 108.800 0.009 0.000 2.153 823 G HA2 -0.008 3.952 3.960 0.000 0.000 0.252 823 G HA3 -0.008 3.952 3.960 0.000 0.000 0.252 823 G C 0.333 175.243 174.900 0.016 0.000 0.994 823 G CA 0.725 45.834 45.100 0.014 0.000 0.698 823 G HN 1.774 nan 8.290 nan 0.000 0.521 824 L N 0.637 121.864 121.223 0.006 0.000 2.289 824 L HA 0.675 5.015 4.340 0.000 0.000 0.285 824 L C 0.196 177.053 176.870 -0.022 0.000 1.049 824 L CA -0.564 54.279 54.840 0.006 0.000 0.804 824 L CB 1.282 43.343 42.059 0.004 0.000 1.195 824 L HN 0.329 nan 8.230 nan 0.000 0.428 825 Q N 4.544 124.331 119.800 -0.022 0.000 2.340 825 Q HA 0.557 4.897 4.340 0.000 0.000 0.268 825 Q C -1.335 174.558 176.000 -0.178 0.000 1.031 825 Q CA -0.699 55.034 55.803 -0.116 0.000 0.804 825 Q CB 2.073 30.773 28.738 -0.065 0.000 1.286 825 Q HN 0.601 nan 8.270 nan 0.000 0.448 826 c N 1.869 120.249 118.600 -0.366 0.000 2.614 826 c HA 0.710 5.280 4.570 0.000 0.000 0.320 826 c C -0.930 172.803 174.090 -0.595 0.000 1.200 826 c CA -0.727 55.432 56.329 -0.282 0.000 1.700 826 c CB 0.466 42.903 42.510 -0.122 0.000 2.275 826 c HN 0.767 nan 8.230 nan 0.000 0.492 827 F N 2.681 122.646 119.950 0.025 0.000 2.612 827 F HA 0.462 4.989 4.527 0.000 0.000 0.332 827 F C -2.137 173.669 175.800 0.009 0.000 1.167 827 F CA -1.828 56.183 58.000 0.018 0.000 0.970 827 F CB 1.362 40.376 39.000 0.023 0.000 1.234 827 F HN 0.347 nan 8.300 nan 0.000 0.453 828 P HA 0.285 nan 4.420 nan 0.000 0.281 828 P C -1.404 175.929 177.300 0.055 0.000 1.249 828 P CA -0.593 62.543 63.100 0.060 0.000 0.810 828 P CB 1.944 33.652 31.700 0.014 0.000 1.008 829 Q N 2.226 122.035 119.800 0.014 0.000 2.334 829 Q HA 0.421 4.761 4.340 0.000 0.000 0.249 829 Q C -2.782 173.197 176.000 -0.035 0.000 0.909 829 Q CA -1.782 54.019 55.803 -0.003 0.000 0.823 829 Q CB 1.630 30.370 28.738 0.003 0.000 1.353 829 Q HN 0.215 nan 8.270 nan 0.000 0.433 830 P HA 0.310 nan 4.420 nan 0.000 0.277 830 P C -2.562 174.717 177.300 -0.036 0.000 1.276 830 P CA -1.301 61.777 63.100 -0.036 0.000 0.788 830 P CB -0.161 31.509 31.700 -0.049 0.000 1.114 831 P HA -0.007 nan 4.420 nan 0.000 0.268 831 P C -0.569 176.686 177.300 -0.075 0.000 1.208 831 P CA 0.128 63.210 63.100 -0.030 0.000 0.777 831 P CB 0.060 31.750 31.700 -0.017 0.000 0.875 832 V N -0.793 119.074 119.914 -0.078 0.000 2.716 832 V HA 0.546 4.666 4.120 0.000 0.000 0.304 832 V C 0.422 176.433 176.094 -0.138 0.000 1.053 832 V CA -1.043 61.171 62.300 -0.144 0.000 0.984 832 V CB 0.869 32.627 31.823 -0.109 0.000 1.021 832 V HN 0.660 nan 8.190 nan 0.000 0.467 833 N N 2.471 121.003 118.700 -0.279 0.000 2.614 833 N HA -0.111 4.629 4.740 0.000 0.000 0.276 833 N C -1.743 173.783 175.510 0.027 0.000 1.119 833 N CA 0.823 53.806 53.050 -0.112 0.000 0.742 833 N CB -0.646 37.902 38.487 0.103 0.000 0.900 833 N HN 0.713 nan 8.380 nan 0.000 0.549 834 P HA -0.027 nan 4.420 nan 0.000 0.222 834 P C 0.851 178.221 177.300 0.118 0.000 1.147 834 P CA 0.886 64.014 63.100 0.047 0.000 0.790 834 P CB 0.268 31.975 31.700 0.012 0.000 0.780 835 L N -1.351 120.006 121.223 0.224 0.000 2.600 835 L HA 0.170 4.510 4.340 0.000 0.000 0.221 835 L C 1.811 178.791 176.870 0.182 0.000 1.197 835 L CA -0.653 54.310 54.840 0.204 0.000 0.838 835 L CB 0.029 42.236 42.059 0.247 0.000 1.474 835 L HN -0.254 nan 8.230 nan 0.000 0.514 836 K N -0.343 120.152 120.400 0.158 0.000 2.088 836 K HA 0.261 4.582 4.320 0.000 0.000 0.201 836 K C -0.463 176.234 176.600 0.162 0.000 1.054 836 K CA 0.024 56.391 56.287 0.134 0.000 1.025 836 K CB -0.175 32.389 32.500 0.107 0.000 1.258 836 K HN 0.278 nan 8.250 nan 0.000 0.456 837 V N 1.693 121.700 119.914 0.154 0.000 3.570 837 V HA -0.188 3.932 4.120 0.000 0.000 0.510 837 V C -0.743 175.411 176.094 0.099 0.000 0.682 837 V CA 0.398 62.793 62.300 0.158 0.000 2.063 837 V CB -0.646 31.325 31.823 0.248 0.000 2.487 837 V HN 0.608 nan 8.190 nan 0.000 0.510 838 D N 0.068 120.488 120.400 0.034 0.000 2.511 838 D HA 0.850 5.490 4.640 0.000 0.000 0.276 838 D C 0.516 176.814 176.300 -0.004 0.000 1.220 838 D CA 1.160 55.157 54.000 -0.003 0.000 1.077 838 D CB 0.672 41.439 40.800 -0.055 0.000 1.126 838 D HN 1.582 nan 8.370 nan 0.000 0.583 875 P HA 0.222 nan 4.420 nan 0.000 0.276 875 P C -0.670 176.546 177.300 -0.140 0.000 1.253 875 P CA -0.326 62.688 63.100 -0.142 0.000 0.766 875 P CB 0.580 32.203 31.700 -0.129 0.000 0.845 876 V N 5.351 125.161 119.914 -0.173 0.000 2.405 876 V HA -0.005 4.115 4.120 0.000 0.000 0.264 876 V C 0.807 176.892 176.094 -0.015 0.000 1.048 876 V CA -0.519 61.725 62.300 -0.093 0.000 0.966 876 V CB 0.627 32.374 31.823 -0.125 0.000 1.015 876 V HN 0.435 nan 8.190 nan 0.000 0.477 877 L N 7.990 129.190 121.223 -0.039 0.000 2.385 877 L HA 0.293 4.633 4.340 0.000 0.000 0.285 877 L C 0.107 176.979 176.870 0.004 0.000 1.125 877 L CA 0.538 55.337 54.840 -0.068 0.000 0.890 877 L CB 0.706 42.706 42.059 -0.097 0.000 1.251 877 L HN 0.437 nan 8.230 nan 0.000 0.445 878 V N 5.571 125.506 119.914 0.035 0.000 2.356 878 V HA 0.429 4.549 4.120 0.000 0.000 0.258 878 V C 0.494 176.602 176.094 0.023 0.000 1.065 878 V CA 0.233 62.558 62.300 0.042 0.000 0.935 878 V CB -0.030 31.814 31.823 0.035 0.000 1.061 878 V HN 0.949 nan 8.190 nan 0.000 0.484 879 S N 3.212 118.936 115.700 0.040 0.000 2.704 879 S HA 0.244 4.714 4.470 0.000 0.000 0.296 879 S C 0.890 175.540 174.600 0.083 0.000 1.138 879 S CA -0.105 58.140 58.200 0.074 0.000 0.875 879 S CB 1.466 64.723 63.200 0.096 0.000 1.151 879 S HN 0.554 nan 8.310 nan 0.000 0.500 880 c N 0.653 119.327 118.600 0.124 0.000 2.432 880 c HA 0.002 4.572 4.570 0.000 0.000 0.282 880 c C 1.713 175.874 174.090 0.119 0.000 1.388 880 c CA 1.355 57.766 56.329 0.137 0.000 1.777 880 c CB -1.860 40.788 42.510 0.230 0.000 1.882 880 c HN 0.836 nan 8.230 nan 0.000 0.520 881 D N 0.473 120.938 120.400 0.109 0.000 2.219 881 D HA -0.046 4.594 4.640 0.000 0.000 0.205 881 D C 2.383 178.719 176.300 0.059 0.000 0.970 881 D CA 1.303 55.353 54.000 0.083 0.000 0.851 881 D CB -0.112 40.735 40.800 0.078 0.000 0.943 881 D HN 0.543 nan 8.370 nan 0.000 0.488 882 S N 0.319 116.051 115.700 0.054 0.000 2.315 882 S HA 0.196 4.666 4.470 0.000 0.000 0.211 882 S C 1.148 175.767 174.600 0.031 0.000 1.029 882 S CA 0.537 58.760 58.200 0.039 0.000 0.956 882 S CB -0.035 63.188 63.200 0.038 0.000 0.918 882 S HN 0.317 nan 8.310 nan 0.000 0.470 883 A N 1.978 124.814 122.820 0.027 0.000 2.239 883 A HA 0.681 5.001 4.320 0.000 0.000 0.303 883 A C -2.565 175.026 177.584 0.013 0.000 1.114 883 A CA -1.621 50.423 52.037 0.012 0.000 0.871 883 A CB -0.704 18.295 19.000 -0.003 0.000 1.201 883 A HN 0.179 nan 8.150 nan 0.000 0.506 884 P HA 0.290 nan 4.420 nan 0.000 0.270 884 P C -0.692 176.604 177.300 -0.007 0.000 1.227 884 P CA -0.101 62.994 63.100 -0.008 0.000 0.788 884 P CB 0.361 32.045 31.700 -0.025 0.000 0.926 885 c N 0.298 118.891 118.600 -0.011 0.000 2.698 885 c HA 0.449 5.019 4.570 0.000 0.000 0.309 885 c C -0.475 173.585 174.090 -0.050 0.000 1.186 885 c CA -0.050 56.273 56.329 -0.010 0.000 1.474 885 c CB 1.155 43.684 42.510 0.032 0.000 2.020 885 c HN 0.516 nan 8.230 nan 0.000 0.474 886 T N 4.114 118.635 114.554 -0.056 0.000 2.832 886 T HA 0.309 4.659 4.350 0.000 0.000 0.313 886 T C -0.202 174.444 174.700 -0.090 0.000 1.035 886 T CA -0.120 61.938 62.100 -0.070 0.000 0.950 886 T CB 0.429 69.256 68.868 -0.068 0.000 0.984 886 T HN 0.497 nan 8.240 nan 0.000 0.486 887 V N 5.191 125.021 119.914 -0.141 0.000 2.389 887 V HA 0.180 4.300 4.120 0.000 0.000 0.264 887 V C 0.402 176.460 176.094 -0.060 0.000 1.049 887 V CA -0.515 61.660 62.300 -0.208 0.000 0.932 887 V CB 0.745 32.381 31.823 -0.313 0.000 1.011 887 V HN 0.608 nan 8.190 nan 0.000 0.475 888 V N 6.296 126.204 119.914 -0.010 0.000 2.406 888 V HA 0.337 4.457 4.120 0.000 0.000 0.272 888 V C 0.110 176.240 176.094 0.061 0.000 1.043 888 V CA -0.424 61.898 62.300 0.037 0.000 0.915 888 V CB 1.228 33.073 31.823 0.036 0.000 0.988 888 V HN 0.881 nan 8.190 nan 0.000 0.466 889 Q N 3.271 123.136 119.800 0.109 0.000 2.333 889 Q HA 0.594 4.934 4.340 0.000 0.000 0.267 889 Q C -1.173 174.915 176.000 0.146 0.000 1.012 889 Q CA -0.470 55.411 55.803 0.131 0.000 0.824 889 Q CB 2.157 31.057 28.738 0.270 0.000 1.290 889 Q HN 0.819 nan 8.270 nan 0.000 0.449 890 c N 1.004 119.621 118.600 0.028 0.000 2.719 890 c HA 0.663 5.233 4.570 0.000 0.000 0.327 890 c C -0.733 173.428 174.090 0.119 0.000 1.238 890 c CA -0.781 55.587 56.329 0.065 0.000 1.727 890 c CB 1.672 44.181 42.510 -0.002 0.000 2.256 890 c HN 0.754 nan 8.230 nan 0.000 0.489 891 D N 0.921 121.407 120.400 0.143 0.000 2.934 891 D HA 0.595 5.235 4.640 0.000 0.000 0.230 891 D C -1.526 174.839 176.300 0.109 0.000 1.204 891 D CA -0.238 53.861 54.000 0.165 0.000 0.873 891 D CB 2.240 43.164 40.800 0.206 0.000 1.645 891 D HN 0.296 nan 8.370 nan 0.000 0.502 892 L N 2.037 123.321 121.223 0.102 0.000 2.439 892 L HA 0.243 4.583 4.340 0.000 0.000 0.270 892 L C 0.947 177.862 176.870 0.075 0.000 0.972 892 L CA -0.125 54.760 54.840 0.075 0.000 0.836 892 L CB 1.898 43.992 42.059 0.059 0.000 1.255 892 L HN 0.312 nan 8.230 nan 0.000 0.404 893 Q N 2.142 121.979 119.800 0.062 0.000 2.172 893 Q HA 0.042 4.382 4.340 0.000 0.000 0.200 893 Q C -0.190 175.835 176.000 0.043 0.000 0.964 893 Q CA 1.080 56.915 55.803 0.052 0.000 0.855 893 Q CB 0.537 29.300 28.738 0.043 0.000 0.918 893 Q HN 0.675 nan 8.270 nan 0.000 0.444 894 E N -0.368 119.856 120.200 0.041 0.000 2.378 894 E HA 0.419 4.769 4.350 0.000 0.000 0.283 894 E C -1.890 174.733 176.600 0.038 0.000 0.979 894 E CA -0.368 56.053 56.400 0.034 0.000 0.795 894 E CB 1.556 31.269 29.700 0.021 0.000 1.221 894 E HN 0.010 nan 8.360 nan 0.000 0.428 895 M N 3.743 123.368 119.600 0.041 0.000 2.182 895 M HA 0.610 5.090 4.480 0.000 0.000 0.266 895 M C -1.257 175.072 176.300 0.048 0.000 0.989 895 M CA -0.355 54.971 55.300 0.042 0.000 1.003 895 M CB 1.488 34.112 32.600 0.039 0.000 1.812 895 M HN 0.715 nan 8.290 nan 0.000 0.472 896 A N 3.961 126.812 122.820 0.051 0.000 2.267 896 A HA 0.556 4.876 4.320 0.000 0.000 0.271 896 A C -0.144 177.477 177.584 0.062 0.000 1.131 896 A CA -0.473 51.601 52.037 0.062 0.000 0.818 896 A CB 0.465 19.502 19.000 0.062 0.000 1.118 896 A HN 0.889 nan 8.150 nan 0.000 0.501 897 R N -0.726 119.816 120.500 0.070 0.000 2.489 897 R HA 0.362 4.702 4.340 0.000 0.000 0.287 897 R C 1.182 177.527 176.300 0.076 0.000 1.053 897 R CA 1.290 57.426 56.100 0.061 0.000 1.036 897 R CB -0.110 30.229 30.300 0.066 0.000 0.966 897 R HN 1.605 nan 8.270 nan 0.000 0.432 898 G N 2.368 111.228 108.800 0.099 0.000 2.184 898 G HA2 -0.362 3.598 3.960 0.000 0.000 0.264 898 G HA3 -0.362 3.598 3.960 0.000 0.000 0.264 898 G C 0.153 175.159 174.900 0.177 0.000 0.975 898 G CA 0.592 45.805 45.100 0.188 0.000 0.642 898 G HN 0.645 nan 8.290 nan 0.000 0.536 899 Q N 0.122 119.997 119.800 0.124 0.000 2.354 899 Q HA 0.645 4.985 4.340 0.000 0.000 0.244 899 Q C 0.580 176.655 176.000 0.126 0.000 0.969 899 Q CA -0.219 55.642 55.803 0.096 0.000 0.885 899 Q CB 0.434 29.210 28.738 0.064 0.000 1.241 899 Q HN 0.538 nan 8.270 nan 0.000 0.461 900 R N 0.386 120.935 120.500 0.080 0.000 2.888 900 R HA 0.872 5.212 4.340 0.000 0.000 0.264 900 R C -1.728 174.591 176.300 0.032 0.000 1.045 900 R CA -0.712 55.428 56.100 0.068 0.000 0.962 900 R CB 2.286 32.606 30.300 0.034 0.000 1.210 900 R HN 0.673 nan 8.270 nan 0.000 0.479 901 A N 1.859 124.691 122.820 0.020 0.000 2.555 901 A HA 0.555 4.875 4.320 0.000 0.000 0.297 901 A C -1.156 176.434 177.584 0.010 0.000 1.060 901 A CA -0.804 51.239 52.037 0.010 0.000 0.710 901 A CB 1.456 20.461 19.000 0.008 0.000 1.282 901 A HN 0.717 nan 8.150 nan 0.000 0.399 902 M N 1.056 120.665 119.600 0.014 0.000 2.550 902 M HA 0.898 5.378 4.480 0.000 0.000 0.292 902 M C -1.843 174.480 176.300 0.039 0.000 1.221 902 M CA -0.892 54.426 55.300 0.031 0.000 0.873 902 M CB 2.257 34.870 32.600 0.022 0.000 1.727 902 M HN 0.350 nan 8.290 nan 0.000 0.459 903 V N 1.314 121.274 119.914 0.076 0.000 2.531 903 V HA 0.566 4.686 4.120 0.000 0.000 0.301 903 V C -0.573 175.589 176.094 0.112 0.000 1.034 903 V CA -0.367 61.982 62.300 0.081 0.000 0.865 903 V CB 2.090 33.968 31.823 0.091 0.000 0.995 903 V HN 1.010 nan 8.190 nan 0.000 0.424 904 T N 4.162 118.764 114.554 0.080 0.000 2.770 904 T HA 0.528 4.878 4.350 0.000 0.000 0.283 904 T C -0.352 174.406 174.700 0.097 0.000 0.988 904 T CA -0.353 61.801 62.100 0.091 0.000 0.957 904 T CB 1.577 70.476 68.868 0.052 0.000 0.930 904 T HN 0.333 nan 8.240 nan 0.000 0.443 905 V N 4.858 124.851 119.914 0.133 0.000 2.370 905 V HA 0.429 4.549 4.120 0.000 0.000 0.279 905 V C -0.213 175.954 176.094 0.121 0.000 1.029 905 V CA -0.764 61.606 62.300 0.115 0.000 0.870 905 V CB 1.278 33.177 31.823 0.126 0.000 0.984 905 V HN 0.644 nan 8.190 nan 0.000 0.451 906 L N 5.533 126.818 121.223 0.103 0.000 2.322 906 L HA 0.950 5.290 4.340 0.000 0.000 0.279 906 L C 0.041 177.004 176.870 0.155 0.000 1.036 906 L CA 0.328 55.246 54.840 0.129 0.000 0.807 906 L CB 1.329 43.455 42.059 0.111 0.000 1.226 906 L HN 0.814 nan 8.230 nan 0.000 0.433 907 A N 3.576 126.522 122.820 0.210 0.000 2.564 907 A HA 0.831 5.151 4.320 0.000 0.000 0.291 907 A C -1.621 176.208 177.584 0.409 0.000 1.102 907 A CA -0.314 51.874 52.037 0.251 0.000 0.660 907 A CB 0.969 20.020 19.000 0.085 0.000 1.283 907 A HN 0.884 nan 8.150 nan 0.000 0.430 908 F N -1.513 118.565 119.950 0.213 0.000 2.686 908 F HA 0.773 5.300 4.527 0.000 0.000 0.311 908 F C -1.216 174.729 175.800 0.242 0.000 1.128 908 F CA -1.291 56.832 58.000 0.206 0.000 0.946 908 F CB 0.979 40.105 39.000 0.211 0.000 1.336 908 F HN 0.502 nan 8.300 nan 0.000 0.457 909 L N 2.165 123.554 121.223 0.278 0.000 2.397 909 L HA 0.078 4.418 4.340 0.000 0.000 0.271 909 L C -0.474 176.541 176.870 0.241 0.000 1.148 909 L CA -0.325 54.616 54.840 0.168 0.000 0.825 909 L CB 0.879 43.019 42.059 0.136 0.000 1.117 909 L HN 0.676 nan 8.230 nan 0.000 0.456 910 W N 4.684 125.960 121.300 -0.041 0.000 2.367 910 W HA 0.227 4.887 4.660 0.000 0.000 0.329 910 W C 0.578 177.128 176.519 0.051 0.000 1.066 910 W CA -0.763 56.579 57.345 -0.004 0.000 1.435 910 W CB 0.990 30.422 29.460 -0.047 0.000 1.296 910 W HN 0.658 nan 8.180 nan 0.000 0.401 911 L N 6.752 127.895 121.223 -0.134 0.000 2.013 911 L HA -0.209 4.131 4.340 0.000 0.000 0.212 911 L C -0.502 176.430 176.870 0.103 0.000 1.073 911 L CA 1.491 56.350 54.840 0.032 0.000 0.753 911 L CB -1.917 40.130 42.059 -0.019 0.000 0.890 911 L HN 0.225 nan 8.230 nan 0.000 0.432 912 P HA -0.133 nan 4.420 nan 0.000 0.215 912 P C 1.753 179.161 177.300 0.181 0.000 1.153 912 P CA 1.459 64.603 63.100 0.074 0.000 0.853 912 P CB 0.060 31.795 31.700 0.058 0.000 0.788 913 S N -0.675 115.173 115.700 0.248 0.000 2.383 913 S HA -0.111 4.359 4.470 0.000 0.000 0.227 913 S C 1.745 176.383 174.600 0.064 0.000 1.026 913 S CA 0.786 59.088 58.200 0.170 0.000 0.981 913 S CB -1.068 62.240 63.200 0.179 0.000 0.818 913 S HN 0.059 nan 8.310 nan 0.000 0.472 914 L N 0.449 121.699 121.223 0.045 0.000 2.141 914 L HA 0.054 4.394 4.340 0.000 0.000 0.209 914 L C 1.418 178.248 176.870 -0.068 0.000 1.094 914 L CA 1.728 56.520 54.840 -0.081 0.000 0.763 914 L CB -0.722 41.278 42.059 -0.098 0.000 0.908 914 L HN 0.284 nan 8.230 nan 0.000 0.437 915 Y N -0.478 119.864 120.300 0.070 0.000 2.490 915 Y HA 0.179 4.729 4.550 0.000 0.000 0.281 915 Y C 0.840 176.788 175.900 0.080 0.000 1.174 915 Y CA -0.206 57.939 58.100 0.075 0.000 1.295 915 Y CB -0.161 38.321 38.460 0.037 0.000 1.062 915 Y HN 0.251 nan 8.280 nan 0.000 0.522 916 Q N 1.319 121.229 119.800 0.183 0.000 2.281 916 Q HA 0.226 4.566 4.340 0.000 0.000 0.267 916 Q C -0.263 175.836 176.000 0.164 0.000 1.053 916 Q CA -0.049 55.841 55.803 0.144 0.000 0.905 916 Q CB 0.290 29.098 28.738 0.117 0.000 1.195 916 Q HN 0.270 nan 8.270 nan 0.000 0.398 917 R N 2.132 122.715 120.500 0.139 0.000 3.022 917 R HA -0.103 4.237 4.340 0.000 0.000 0.268 917 R C -2.270 174.088 176.300 0.098 0.000 0.964 917 R CA -0.009 56.165 56.100 0.123 0.000 0.653 917 R CB -1.123 29.295 30.300 0.196 0.000 1.382 917 R HN 0.564 nan 8.270 nan 0.000 0.428 918 P HA -0.058 nan 4.420 nan 0.000 0.245 918 P C 0.443 177.745 177.300 0.004 0.000 1.212 918 P CA 0.883 64.018 63.100 0.058 0.000 0.774 918 P CB 0.361 32.168 31.700 0.178 0.000 0.999 919 L N -1.081 120.127 121.223 -0.025 0.000 3.358 919 L HA 0.346 4.686 4.340 0.000 0.000 0.301 919 L C -0.269 176.521 176.870 -0.133 0.000 1.276 919 L CA -0.290 54.516 54.840 -0.057 0.000 1.028 919 L CB 0.334 42.375 42.059 -0.030 0.000 1.421 919 L HN -0.226 nan 8.230 nan 0.000 0.604 920 D N 0.379 120.640 120.400 -0.232 0.000 2.277 920 D HA 0.334 4.974 4.640 0.000 0.000 0.250 920 D C -0.047 175.924 176.300 -0.549 0.000 1.032 920 D CA -0.112 53.611 54.000 -0.463 0.000 0.947 920 D CB 1.049 41.387 40.800 -0.771 0.000 1.159 920 D HN -0.109 nan 8.370 nan 0.000 0.460 921 Q N 1.391 120.882 119.800 -0.515 0.000 2.400 921 Q HA 0.332 4.672 4.340 0.000 0.000 0.255 921 Q C -0.918 174.840 176.000 -0.402 0.000 1.008 921 Q CA -0.418 55.176 55.803 -0.347 0.000 0.841 921 Q CB 0.729 29.352 28.738 -0.191 0.000 1.220 921 Q HN 0.322 nan 8.270 nan 0.000 0.474 922 F N 0.733 120.646 119.950 -0.063 0.000 2.399 922 F HA 0.470 4.997 4.527 0.000 0.000 0.328 922 F C 0.516 176.265 175.800 -0.084 0.000 1.084 922 F CA -0.947 57.012 58.000 -0.068 0.000 1.053 922 F CB 1.305 40.275 39.000 -0.051 0.000 1.209 922 F HN 0.073 nan 8.300 nan 0.000 0.502 923 V N 4.208 124.177 119.914 0.092 0.000 2.462 923 V HA 0.276 4.396 4.120 0.000 0.000 0.288 923 V C -0.459 175.602 176.094 -0.055 0.000 1.020 923 V CA -0.738 61.525 62.300 -0.063 0.000 0.857 923 V CB 1.339 32.991 31.823 -0.285 0.000 1.013 923 V HN 0.511 nan 8.190 nan 0.000 0.431 924 L N 4.737 125.976 121.223 0.026 0.000 2.315 924 L HA 0.506 4.846 4.340 0.000 0.000 0.283 924 L C 0.201 177.153 176.870 0.136 0.000 1.089 924 L CA 0.260 55.134 54.840 0.057 0.000 0.833 924 L CB 0.837 42.940 42.059 0.073 0.000 1.170 924 L HN 0.670 nan 8.230 nan 0.000 0.442 925 Q N 3.040 122.913 119.800 0.121 0.000 2.337 925 Q HA 0.575 4.915 4.340 0.000 0.000 0.266 925 Q C -1.020 175.140 176.000 0.266 0.000 1.023 925 Q CA -0.618 55.354 55.803 0.280 0.000 0.829 925 Q CB 2.137 31.008 28.738 0.221 0.000 1.306 925 Q HN 0.757 nan 8.270 nan 0.000 0.449 926 S N 2.049 117.966 115.700 0.361 0.000 2.634 926 S HA 0.603 5.073 4.470 0.000 0.000 0.296 926 S C -1.251 173.553 174.600 0.340 0.000 1.104 926 S CA -0.748 57.648 58.200 0.326 0.000 0.920 926 S CB 1.754 65.160 63.200 0.345 0.000 1.111 926 S HN 0.790 nan 8.310 nan 0.000 0.493 927 H N -0.687 118.476 119.070 0.156 0.000 2.894 927 H HA 0.694 5.250 4.556 0.000 0.000 0.367 927 H C -1.146 174.011 175.328 -0.285 0.000 1.144 927 H CA -0.320 55.645 56.048 -0.137 0.000 1.180 927 H CB 1.839 31.389 29.762 -0.354 0.000 1.758 927 H HN 1.090 nan 8.280 nan 0.000 0.541 928 A N 4.026 126.516 122.820 -0.550 0.000 2.398 928 A HA 0.414 4.734 4.320 0.000 0.000 0.301 928 A C -1.583 175.786 177.584 -0.358 0.000 1.041 928 A CA -0.676 51.089 52.037 -0.453 0.000 0.711 928 A CB 1.148 19.532 19.000 -1.028 0.000 1.240 928 A HN 0.547 nan 8.150 nan 0.000 0.420 929 W N 1.761 123.095 121.300 0.057 0.000 2.639 929 W HA 0.664 5.324 4.660 0.000 0.000 0.347 929 W C -0.797 175.805 176.519 0.138 0.000 1.067 929 W CA -0.405 56.996 57.345 0.093 0.000 1.218 929 W CB 2.062 31.561 29.460 0.064 0.000 1.393 929 W HN 0.751 nan 8.180 nan 0.000 0.557 930 F N 1.896 121.971 119.950 0.209 0.000 2.631 930 F HA 0.610 5.137 4.527 0.000 0.000 0.308 930 F C -1.081 174.807 175.800 0.147 0.000 1.097 930 F CA -0.973 57.101 58.000 0.123 0.000 0.952 930 F CB 1.437 40.461 39.000 0.040 0.000 1.307 930 F HN 0.326 nan 8.300 nan 0.000 0.450 931 N N 0.816 119.580 118.700 0.106 0.000 3.020 931 N HA 0.652 5.392 4.740 0.000 0.000 0.248 931 N C -2.410 173.213 175.510 0.190 0.000 1.480 931 N CA -0.719 52.316 53.050 -0.025 0.000 0.874 931 N CB 1.982 40.463 38.487 -0.010 0.000 1.433 931 N HN 0.629 nan 8.380 nan 0.000 0.530 932 V N 0.231 120.218 119.914 0.123 0.000 2.735 932 V HA 0.465 4.585 4.120 0.000 0.000 0.310 932 V C 1.113 177.261 176.094 0.089 0.000 1.061 932 V CA -0.545 61.839 62.300 0.140 0.000 0.913 932 V CB 1.421 33.335 31.823 0.153 0.000 1.005 932 V HN 0.949 nan 8.190 nan 0.000 0.428 933 S N 2.713 118.463 115.700 0.084 0.000 2.336 933 S HA 0.101 4.571 4.470 0.000 0.000 0.216 933 S C 0.730 175.360 174.600 0.050 0.000 1.032 933 S CA 1.298 59.531 58.200 0.056 0.000 0.973 933 S CB 0.164 63.393 63.200 0.049 0.000 0.888 933 S HN 0.817 nan 8.310 nan 0.000 0.455 934 S N -0.929 114.805 115.700 0.057 0.000 2.643 934 S HA 0.607 5.078 4.470 0.000 0.000 0.270 934 S C -1.756 172.886 174.600 0.070 0.000 1.166 934 S CA -0.851 57.383 58.200 0.058 0.000 0.815 934 S CB 1.334 64.558 63.200 0.041 0.000 1.139 934 S HN 0.389 nan 8.310 nan 0.000 0.472 935 L N 2.308 123.586 121.223 0.093 0.000 2.346 935 L HA 0.526 4.866 4.340 0.000 0.000 0.276 935 L C -2.429 174.451 176.870 0.016 0.000 1.006 935 L CA -2.167 52.746 54.840 0.122 0.000 0.817 935 L CB 1.640 43.879 42.059 0.300 0.000 1.272 935 L HN 0.402 nan 8.230 nan 0.000 0.421 936 P HA 0.257 nan 4.420 nan 0.000 0.252 936 P C -1.522 175.361 177.300 -0.694 0.000 1.727 936 P CA 0.178 63.057 63.100 -0.367 0.000 1.134 936 P CB -0.175 31.315 31.700 -0.350 0.000 1.876 937 Y N -0.046 120.280 120.300 0.043 0.000 2.705 937 Y HA 0.493 5.043 4.550 0.000 0.000 0.332 937 Y C 1.507 177.430 175.900 0.037 0.000 1.221 937 Y CA -0.945 57.181 58.100 0.043 0.000 1.059 937 Y CB 0.528 39.012 38.460 0.040 0.000 1.298 937 Y HN 0.128 nan 8.280 nan 0.000 0.459 938 A N 0.337 123.294 122.820 0.228 0.000 1.821 938 A HA 0.173 4.493 4.320 0.000 0.000 0.215 938 A C 0.067 177.713 177.584 0.104 0.000 1.214 938 A CA 1.718 53.832 52.037 0.128 0.000 0.608 938 A CB -0.537 18.525 19.000 0.103 0.000 0.862 938 A HN 0.413 nan 8.150 nan 0.000 0.448 939 V N 1.312 121.282 119.914 0.093 0.000 2.380 939 V HA 0.360 4.480 4.120 0.000 0.000 0.272 939 V C -2.775 173.351 176.094 0.054 0.000 1.011 939 V CA -0.852 61.487 62.300 0.065 0.000 0.826 939 V CB 1.632 33.481 31.823 0.044 0.000 1.040 939 V HN 0.491 nan 8.190 nan 0.000 0.441 940 P HA 0.386 nan 4.420 nan 0.000 0.195 940 P C -2.715 174.609 177.300 0.041 0.000 1.887 940 P CA -1.636 61.492 63.100 0.046 0.000 1.161 940 P CB 0.930 32.684 31.700 0.090 0.000 1.759 941 P HA 0.267 nan 4.420 nan 0.000 0.256 941 P C -0.048 177.263 177.300 0.018 0.000 1.689 941 P CA -0.127 62.988 63.100 0.025 0.000 1.124 941 P CB 0.889 32.602 31.700 0.021 0.000 1.766 942 L N 1.208 122.444 121.223 0.021 0.000 3.886 942 L HA 0.373 4.713 4.340 0.000 0.000 0.194 942 L C 0.088 176.970 176.870 0.019 0.000 1.190 942 L CA 0.081 54.931 54.840 0.016 0.000 1.103 942 L CB 0.140 42.206 42.059 0.012 0.000 1.665 942 L HN 0.230 nan 8.230 nan 0.000 0.752 943 S N -0.105 115.609 115.700 0.024 0.000 2.582 943 S HA 0.453 4.923 4.470 0.000 0.000 0.287 943 S C -1.101 173.518 174.600 0.032 0.000 1.146 943 S CA -0.743 57.471 58.200 0.022 0.000 0.941 943 S CB 0.695 63.905 63.200 0.017 0.000 1.115 943 S HN 0.154 nan 8.310 nan 0.000 0.458 944 L N 2.694 123.934 121.223 0.030 0.000 2.410 944 L HA 0.384 4.724 4.340 0.000 0.000 0.273 944 L C -2.074 174.815 176.870 0.032 0.000 1.152 944 L CA -1.675 53.190 54.840 0.040 0.000 0.855 944 L CB -0.056 42.024 42.059 0.034 0.000 1.129 944 L HN 0.429 nan 8.230 nan 0.000 0.463 945 P HA 0.129 nan 4.420 nan 0.000 0.266 945 P C -1.036 176.226 177.300 -0.063 0.000 1.195 945 P CA -0.019 63.135 63.100 0.090 0.000 0.768 945 P CB 0.502 32.339 31.700 0.229 0.000 0.838 946 R N 0.893 121.248 120.500 -0.241 0.000 2.752 946 R HA 0.900 5.240 4.340 0.000 0.000 0.271 946 R C -0.663 175.191 176.300 -0.743 0.000 1.026 946 R CA -1.088 54.592 56.100 -0.700 0.000 0.901 946 R CB 1.225 31.334 30.300 -0.318 0.000 1.243 946 R HN 0.617 nan 8.270 nan 0.000 0.463 947 G N -0.047 108.216 108.800 -0.895 0.000 2.317 947 G HA2 0.403 4.363 3.960 0.000 0.000 0.293 947 G HA3 0.403 4.363 3.960 0.000 0.000 0.293 947 G C -1.960 172.947 174.900 0.012 0.000 1.287 947 G CA -0.472 44.523 45.100 -0.175 0.000 0.850 947 G HN 0.939 nan 8.290 nan 0.000 0.515 948 E N -1.463 118.787 120.200 0.083 0.000 2.407 948 E HA 0.749 5.099 4.350 0.000 0.000 0.279 948 E C -0.639 175.852 176.600 -0.181 0.000 1.012 948 E CA -0.773 55.555 56.400 -0.121 0.000 0.800 948 E CB 1.889 31.432 29.700 -0.263 0.000 1.276 948 E HN 1.721 nan 8.360 nan 0.000 0.452 949 A N 1.166 123.756 122.820 -0.383 0.000 2.564 949 A HA 0.742 5.062 4.320 0.000 0.000 0.288 949 A C -1.564 175.745 177.584 -0.460 0.000 1.164 949 A CA -0.616 51.257 52.037 -0.273 0.000 0.712 949 A CB 2.372 21.373 19.000 0.002 0.000 1.303 949 A HN 0.631 nan 8.150 nan 0.000 0.418 950 Q N 0.255 119.921 119.800 -0.223 0.000 2.327 950 Q HA 0.588 4.928 4.340 0.000 0.000 0.265 950 Q C -2.352 173.552 176.000 -0.159 0.000 0.993 950 Q CA -0.498 55.172 55.803 -0.222 0.000 0.885 950 Q CB 2.219 30.748 28.738 -0.348 0.000 1.379 950 Q HN 0.695 nan 8.270 nan 0.000 0.408 951 V N 3.396 123.307 119.914 -0.005 0.000 2.540 951 V HA 0.592 4.712 4.120 0.000 0.000 0.302 951 V C -0.955 175.266 176.094 0.212 0.000 1.035 951 V CA -0.576 61.658 62.300 -0.110 0.000 0.873 951 V CB 1.330 32.959 31.823 -0.323 0.000 0.992 951 V HN 0.673 nan 8.190 nan 0.000 0.428 952 W N 1.777 123.010 121.300 -0.111 0.000 2.639 952 W HA 0.777 5.437 4.660 0.000 0.000 0.347 952 W C -0.036 176.438 176.519 -0.075 0.000 1.067 952 W CA -0.986 56.348 57.345 -0.018 0.000 1.218 952 W CB 1.866 31.314 29.460 -0.021 0.000 1.393 952 W HN 0.416 nan 8.180 nan 0.000 0.557 953 T N 2.010 116.711 114.554 0.245 0.000 3.011 953 T HA 0.314 4.664 4.350 0.000 0.000 0.303 953 T C -0.502 174.263 174.700 0.107 0.000 0.997 953 T CA -0.855 61.331 62.100 0.143 0.000 1.007 953 T CB 1.734 70.735 68.868 0.223 0.000 1.017 953 T HN 0.352 nan 8.240 nan 0.000 0.443 954 Q N 3.310 123.154 119.800 0.075 0.000 2.222 954 Q HA 0.788 5.128 4.340 0.000 0.000 0.252 954 Q C -1.223 174.816 176.000 0.065 0.000 0.926 954 Q CA -1.018 54.815 55.803 0.050 0.000 0.899 954 Q CB 1.381 30.137 28.738 0.029 0.000 1.250 954 Q HN 0.546 nan 8.270 nan 0.000 0.441 955 L N 3.024 124.295 121.223 0.080 0.000 2.346 955 L HA 0.588 4.928 4.340 0.000 0.000 0.276 955 L C -0.634 176.270 176.870 0.057 0.000 1.006 955 L CA -0.878 54.018 54.840 0.093 0.000 0.817 955 L CB 1.381 43.538 42.059 0.163 0.000 1.272 955 L HN 0.611 nan 8.230 nan 0.000 0.421 956 L N 2.630 123.878 121.223 0.042 0.000 2.341 956 L HA 0.608 4.948 4.340 0.000 0.000 0.267 956 L C -0.329 176.549 176.870 0.014 0.000 1.009 956 L CA -0.988 53.862 54.840 0.016 0.000 0.819 956 L CB 2.091 44.160 42.059 0.015 0.000 1.323 956 L HN 0.491 nan 8.230 nan 0.000 0.425 957 R N 1.613 122.111 120.500 -0.003 0.000 2.254 957 R HA 0.708 5.048 4.340 0.000 0.000 0.318 957 R C -0.589 175.721 176.300 0.016 0.000 1.031 957 R CA -0.294 55.806 56.100 0.000 0.000 0.905 957 R CB 1.529 31.819 30.300 -0.016 0.000 1.050 957 R HN 0.741 nan 8.270 nan 0.000 0.456 958 A N 2.342 125.182 122.820 0.032 0.000 2.384 958 A HA 0.727 5.047 4.320 0.000 0.000 0.312 958 A C -0.503 177.109 177.584 0.047 0.000 1.113 958 A CA -0.597 51.462 52.037 0.037 0.000 0.779 958 A CB 1.179 20.203 19.000 0.041 0.000 1.307 958 A HN 0.797 nan 8.150 nan 0.000 0.436 959 C N 0.000 119.323 119.300 0.038 0.000 2.653 959 C HA 0.000 4.460 4.460 0.000 0.000 0.325 959 C CA 0.000 59.041 59.018 0.038 0.000 1.963 959 C CB 0.000 27.757 27.740 0.028 0.000 2.134 959 C HN 0.000 nan 8.230 nan 0.000 0.568