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 2jkr_1_L DATA FIRST_RESID 3 DATA SEQUENCE AVSKGDGMRG LAVFISDIRN CKSKEAEIKR INKELANIRS KFKGDKALDG DATA SEQUENCE YSKKKYVCKL LFIFLLGHDI DFGHMEAVNL LSSNRYTEKQ IGYLFISVLV DATA SEQUENCE NSNSELIRLI NNAIKNDLAS RNPTFMGLAL HCIANVGSRE MAEAFAGEIP DATA SEQUENCE KILVAGDTMD SVKQSAALCL LRLYRTSPDL VPMGDWTSRV VHLLNDQHLG DATA SEQUENCE VVTAATSLIT TLAQKNPEEF KTSVSLAVSR LSRIVTSAST DLQDYTYYFV DATA SEQUENCE PAPWLSVKLL RLLQCYPPPE DPAVRGRLTE CLETILNKAQ EPPKSKKVQH DATA SEQUENCE SNAKNAVLFE AISLIIHHDS EPNLLVRACN QLGQFLQHRE TNLRYLALES DATA SEQUENCE MCTLASSEFS HEAVKTHIET VINALKTERD VSVRQRAVDL LYAMCDRSNA DATA SEQUENCE QQIVAEMLSY LETADYSIRE EIVLKVAILA EKYAVDYTWY VDTILNLIRI DATA SEQUENCE AGDYVSEEVW YRVIQIVINR DDVQGYAAKT VFEALQAPAC HENLVKVGGY DATA SEQUENCE ILGEFGNLIA GDPRSSPLIQ FNLLHSKFHL CSVPTRALLL STYIKFVNLF DATA SEQUENCE PEVKATIQDV LRSDSQLKNA DVELQQRAVE YLRLSTVAST DILATVLEEM DATA SEQUENCE PPFPERESSI LAKLKKKKGG S 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 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.580 177.584 -0.007 0.000 1.274 3 A CA 0.000 52.032 52.037 -0.007 0.000 0.836 3 A CB 0.000 18.996 19.000 -0.006 0.000 0.831 4 V N 0.518 120.426 119.914 -0.009 0.000 2.881 4 V HA 0.750 4.870 4.120 -0.000 0.000 0.316 4 V C 1.213 177.304 176.094 -0.005 0.000 1.070 4 V CA -0.088 62.207 62.300 -0.008 0.000 0.976 4 V CB 1.720 33.535 31.823 -0.013 0.000 1.038 4 V HN 1.274 nan 8.190 nan 0.000 0.446 5 S N 1.585 117.285 115.700 -0.001 0.000 2.612 5 S HA 0.251 4.720 4.470 -0.000 0.000 0.253 5 S C -0.165 174.439 174.600 0.006 0.000 1.346 5 S CA -0.069 58.133 58.200 0.004 0.000 0.976 5 S CB 0.226 63.431 63.200 0.008 0.000 0.949 5 S HN 0.812 nan 8.310 nan 0.000 0.584 6 K N 1.242 121.649 120.400 0.012 0.000 2.705 6 K HA 0.476 4.796 4.320 -0.000 0.000 0.238 6 K C -0.223 176.394 176.600 0.028 0.000 0.996 6 K CA -0.776 55.520 56.287 0.016 0.000 1.007 6 K CB 0.833 33.340 32.500 0.011 0.000 1.206 6 K HN 0.525 nan 8.250 nan 0.000 0.488 7 G N 1.506 110.330 108.800 0.039 0.000 2.400 7 G HA2 0.542 4.502 3.960 -0.000 0.000 0.301 7 G HA3 0.542 4.502 3.960 -0.000 0.000 0.301 7 G C -0.860 174.079 174.900 0.065 0.000 1.154 7 G CA 0.174 45.307 45.100 0.056 0.000 0.852 7 G HN 0.618 nan 8.290 nan 0.000 0.511 8 D N -1.457 118.985 120.400 0.070 0.000 3.225 8 D HA 0.466 5.106 4.640 -0.000 0.000 0.295 8 D C -0.240 176.095 176.300 0.059 0.000 1.051 8 D CA 1.010 55.050 54.000 0.066 0.000 0.715 8 D CB 0.585 41.419 40.800 0.057 0.000 1.500 8 D HN 1.697 nan 8.370 nan 0.000 0.483 9 G N 0.231 109.056 108.800 0.043 0.000 2.335 9 G HA2 0.496 4.455 3.960 -0.000 0.000 0.592 9 G HA3 0.496 4.455 3.960 -0.000 0.000 0.592 9 G C -1.140 173.781 174.900 0.034 0.000 1.442 9 G CA -0.168 44.956 45.100 0.040 0.000 0.976 9 G HN 0.680 nan 8.290 nan 0.000 0.652 10 M N 1.372 120.981 119.600 0.015 0.000 3.488 10 M HA 0.283 4.762 4.480 -0.000 0.000 0.383 10 M C 1.056 177.350 176.300 -0.009 0.000 1.561 10 M CA -0.506 54.780 55.300 -0.023 0.000 0.689 10 M CB 0.596 33.110 32.600 -0.144 0.000 2.826 10 M HN 0.760 nan 8.290 nan 0.000 0.463 11 R N 0.518 121.042 120.500 0.040 0.000 2.133 11 R HA -0.139 4.201 4.340 -0.000 0.000 0.247 11 R C 1.519 177.816 176.300 -0.005 0.000 1.151 11 R CA 2.527 58.638 56.100 0.017 0.000 0.971 11 R CB -0.169 30.150 30.300 0.031 0.000 0.866 11 R HN 0.820 nan 8.270 nan 0.000 0.447 12 G N 1.359 110.148 108.800 -0.019 0.000 2.440 12 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.218 12 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.218 12 G C 1.266 176.147 174.900 -0.032 0.000 1.154 12 G CA 0.803 45.873 45.100 -0.051 0.000 0.767 12 G HN 0.301 nan 8.290 nan 0.000 0.552 13 L N 1.475 122.664 121.223 -0.055 0.000 1.961 13 L HA 0.117 4.457 4.340 -0.000 0.000 0.210 13 L C 3.205 180.037 176.870 -0.063 0.000 1.072 13 L CA 2.362 57.177 54.840 -0.042 0.000 0.749 13 L CB -1.157 40.853 42.059 -0.081 0.000 0.889 13 L HN 0.267 nan 8.230 nan 0.000 0.432 14 A N -0.979 121.797 122.820 -0.074 0.000 1.915 14 A HA -0.269 4.051 4.320 -0.000 0.000 0.220 14 A C 2.288 179.833 177.584 -0.066 0.000 1.198 14 A CA 2.749 54.737 52.037 -0.082 0.000 0.647 14 A CB -1.422 17.550 19.000 -0.047 0.000 0.825 14 A HN 0.386 nan 8.150 nan 0.000 0.456 15 V N -1.240 118.664 119.914 -0.017 0.000 2.287 15 V HA -0.251 3.869 4.120 -0.000 0.000 0.248 15 V C 2.295 178.424 176.094 0.058 0.000 1.053 15 V CA 2.175 64.484 62.300 0.015 0.000 1.027 15 V CB -1.019 30.823 31.823 0.033 0.000 0.646 15 V HN 0.637 nan 8.190 nan 0.000 0.447 16 F N 0.505 120.390 119.950 -0.108 0.000 2.161 16 F HA -0.172 4.355 4.527 -0.000 0.000 0.300 16 F C 2.033 177.741 175.800 -0.153 0.000 1.089 16 F CA 1.255 59.190 58.000 -0.107 0.000 1.282 16 F CB -0.400 38.531 39.000 -0.115 0.000 1.010 16 F HN 0.085 nan 8.300 nan 0.000 0.485 17 I N -1.098 119.230 120.570 -0.403 0.000 2.162 17 I HA -0.289 3.881 4.170 -0.000 0.000 0.238 17 I C 2.598 178.568 176.117 -0.245 0.000 1.076 17 I CA 1.362 62.350 61.300 -0.519 0.000 1.353 17 I CB -0.920 36.771 38.000 -0.514 0.000 1.063 17 I HN -0.029 nan 8.210 nan 0.000 0.408 18 S N 0.487 116.102 115.700 -0.141 0.000 2.365 18 S HA -0.238 4.231 4.470 -0.000 0.000 0.225 18 S C 1.630 176.199 174.600 -0.052 0.000 1.039 18 S CA 1.709 59.865 58.200 -0.073 0.000 1.033 18 S CB -0.378 62.796 63.200 -0.042 0.000 0.887 18 S HN 0.404 nan 8.310 nan 0.000 0.447 19 D N 0.597 120.977 120.400 -0.033 0.000 2.265 19 D HA -0.021 4.619 4.640 -0.000 0.000 0.208 19 D C 1.669 177.960 176.300 -0.015 0.000 0.977 19 D CA 0.656 54.660 54.000 0.006 0.000 0.871 19 D CB -0.092 40.752 40.800 0.073 0.000 0.925 19 D HN 0.365 nan 8.370 nan 0.000 0.485 20 I N -0.020 120.497 120.570 -0.088 0.000 2.556 20 I HA -0.086 4.084 4.170 -0.000 0.000 0.251 20 I C 1.950 178.035 176.117 -0.053 0.000 1.105 20 I CA 0.065 61.306 61.300 -0.097 0.000 1.436 20 I CB 0.277 38.128 38.000 -0.249 0.000 1.139 20 I HN -0.199 nan 8.210 nan 0.000 0.438 21 R N 1.124 121.591 120.500 -0.055 0.000 2.249 21 R HA -0.121 4.219 4.340 -0.000 0.000 0.230 21 R C 1.351 177.640 176.300 -0.018 0.000 1.121 21 R CA 0.637 56.723 56.100 -0.023 0.000 0.997 21 R CB -1.327 28.961 30.300 -0.020 0.000 0.867 21 R HN 0.412 nan 8.270 nan 0.000 0.465 22 N N 0.140 118.828 118.700 -0.021 0.000 2.091 22 N HA -0.053 4.686 4.740 -0.000 0.000 0.229 22 N C -0.138 175.369 175.510 -0.006 0.000 1.250 22 N CA 0.684 53.728 53.050 -0.010 0.000 0.958 22 N CB -0.116 38.368 38.487 -0.006 0.000 1.057 22 N HN 0.129 nan 8.380 nan 0.000 0.408 23 C N 0.499 119.798 119.300 -0.001 0.000 2.157 23 C HA -0.069 4.391 4.460 -0.000 0.000 0.262 23 C C 0.543 175.533 174.990 0.000 0.000 0.824 23 C CA -0.633 58.386 59.018 0.002 0.000 2.971 23 C CB -1.232 26.508 27.740 -0.001 0.000 1.707 23 C HN 0.510 nan 8.230 nan 0.000 0.332 24 K N 1.203 121.605 120.400 0.002 0.000 2.720 24 K HA 0.034 4.353 4.320 -0.000 0.000 0.206 24 K C 0.917 177.517 176.600 0.000 0.000 1.000 24 K CA 1.124 57.412 56.287 0.001 0.000 1.067 24 K CB -0.247 32.254 32.500 0.002 0.000 0.861 24 K HN 1.101 nan 8.250 nan 0.000 0.492 25 S N -1.650 114.050 115.700 -0.001 0.000 2.656 25 S HA 0.215 4.685 4.470 -0.000 0.000 0.265 25 S C -0.408 174.190 174.600 -0.004 0.000 1.110 25 S CA -0.960 57.239 58.200 -0.002 0.000 0.821 25 S CB 1.040 64.239 63.200 -0.000 0.000 1.099 25 S HN -0.031 nan 8.310 nan 0.000 0.471 26 K N 0.365 120.761 120.400 -0.006 0.000 2.437 26 K HA 0.370 4.690 4.320 -0.000 0.000 0.198 26 K C 0.934 177.530 176.600 -0.008 0.000 1.024 26 K CA 0.620 56.902 56.287 -0.008 0.000 1.148 26 K CB 0.017 32.511 32.500 -0.010 0.000 0.860 26 K HN 0.587 nan 8.250 nan 0.000 0.515 27 E N -1.462 118.736 120.200 -0.004 0.000 2.571 27 E HA 0.149 4.499 4.350 -0.000 0.000 0.222 27 E C 1.071 177.671 176.600 0.000 0.000 0.904 27 E CA 0.327 56.725 56.400 -0.004 0.000 1.157 27 E CB 0.455 30.154 29.700 -0.001 0.000 1.158 27 E HN 0.252 nan 8.360 nan 0.000 0.540 28 A N 1.498 124.320 122.820 0.004 0.000 1.929 28 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 28 A C 1.990 179.584 177.584 0.016 0.000 1.176 28 A CA 1.450 53.493 52.037 0.011 0.000 0.628 28 A CB -0.419 18.588 19.000 0.011 0.000 0.816 28 A HN 0.348 nan 8.150 nan 0.000 0.444 29 E N 0.261 120.465 120.200 0.008 0.000 2.097 29 E HA -0.228 4.122 4.350 -0.000 0.000 0.196 29 E C 1.719 178.323 176.600 0.007 0.000 1.000 29 E CA 1.811 58.215 56.400 0.007 0.000 0.804 29 E CB -0.279 29.416 29.700 -0.008 0.000 0.740 29 E HN 0.705 nan 8.360 nan 0.000 0.454 30 I N 0.298 120.861 120.570 -0.012 0.000 2.617 30 I HA -0.146 4.023 4.170 -0.000 0.000 0.256 30 I C 2.646 178.747 176.117 -0.026 0.000 1.167 30 I CA 0.719 61.993 61.300 -0.042 0.000 1.469 30 I CB -0.243 37.731 38.000 -0.043 0.000 1.098 30 I HN 0.059 nan 8.210 nan 0.000 0.436 31 K N 1.057 121.460 120.400 0.004 0.000 2.076 31 K HA -0.079 4.241 4.320 -0.000 0.000 0.204 31 K C 2.394 179.020 176.600 0.043 0.000 1.051 31 K CA 0.589 56.886 56.287 0.017 0.000 0.949 31 K CB 0.101 32.612 32.500 0.018 0.000 0.726 31 K HN -0.027 nan 8.250 nan 0.000 0.443 32 R N 1.015 121.557 120.500 0.070 0.000 2.189 32 R HA -0.043 4.297 4.340 -0.000 0.000 0.223 32 R C 1.900 178.327 176.300 0.212 0.000 1.092 32 R CA 0.650 56.829 56.100 0.132 0.000 0.989 32 R CB -0.466 29.923 30.300 0.149 0.000 0.876 32 R HN 0.225 nan 8.270 nan 0.000 0.457 33 I N 1.286 121.958 120.570 0.170 0.000 2.162 33 I HA -0.232 3.937 4.170 -0.000 0.000 0.238 33 I C 1.735 177.911 176.117 0.098 0.000 1.076 33 I CA 1.291 62.708 61.300 0.196 0.000 1.353 33 I CB -0.661 37.381 38.000 0.069 0.000 1.063 33 I HN 0.097 nan 8.210 nan 0.000 0.408 34 N N 0.702 119.425 118.700 0.038 0.000 2.272 34 N HA -0.187 4.552 4.740 -0.000 0.000 0.185 34 N C 1.685 177.216 175.510 0.034 0.000 1.014 34 N CA 1.034 54.110 53.050 0.042 0.000 0.870 34 N CB -0.241 38.262 38.487 0.026 0.000 0.975 34 N HN 0.480 nan 8.380 nan 0.000 0.433 35 K N 0.764 121.182 120.400 0.030 0.000 2.007 35 K HA -0.100 4.219 4.320 -0.000 0.000 0.206 35 K C 1.903 178.488 176.600 -0.026 0.000 1.047 35 K CA 0.879 57.171 56.287 0.009 0.000 0.937 35 K CB -0.065 32.450 32.500 0.025 0.000 0.718 35 K HN 0.022 nan 8.250 nan 0.000 0.438 36 E N 1.560 121.728 120.200 -0.055 0.000 2.072 36 E HA -0.092 4.257 4.350 -0.000 0.000 0.191 36 E C 1.918 178.445 176.600 -0.122 0.000 0.985 36 E CA 0.878 57.161 56.400 -0.194 0.000 0.801 36 E CB -0.189 29.146 29.700 -0.609 0.000 0.750 36 E HN 0.153 nan 8.360 nan 0.000 0.452 37 L N -0.155 121.058 121.223 -0.017 0.000 2.012 37 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 37 L C 2.474 179.378 176.870 0.057 0.000 1.073 37 L CA 1.411 56.314 54.840 0.105 0.000 0.748 37 L CB -0.630 41.544 42.059 0.191 0.000 0.891 37 L HN 0.242 nan 8.230 nan 0.000 0.431 38 A N 0.060 122.880 122.820 -0.001 0.000 1.933 38 A HA -0.269 4.050 4.320 -0.000 0.000 0.218 38 A C 2.001 179.513 177.584 -0.120 0.000 1.175 38 A CA 2.172 54.173 52.037 -0.059 0.000 0.628 38 A CB -0.778 18.198 19.000 -0.040 0.000 0.814 38 A HN 0.533 nan 8.150 nan 0.000 0.444 39 N N 0.031 118.661 118.700 -0.116 0.000 2.142 39 N HA -0.102 4.638 4.740 -0.000 0.000 0.186 39 N C 1.453 176.783 175.510 -0.299 0.000 1.023 39 N CA 1.868 54.821 53.050 -0.162 0.000 0.852 39 N CB -0.370 38.053 38.487 -0.107 0.000 0.998 39 N HN 0.530 nan 8.380 nan 0.000 0.424 40 I N -0.011 120.384 120.570 -0.292 0.000 2.133 40 I HA -0.159 4.011 4.170 -0.000 0.000 0.238 40 I C 1.518 177.221 176.117 -0.689 0.000 1.074 40 I CA 0.490 61.468 61.300 -0.538 0.000 1.342 40 I CB -0.387 37.480 38.000 -0.223 0.000 1.053 40 I HN 0.143 nan 8.210 nan 0.000 0.404 41 R N 1.620 121.884 120.500 -0.393 0.000 2.756 41 R HA -0.070 4.270 4.340 -0.000 0.000 0.264 41 R C 0.940 176.992 176.300 -0.413 0.000 1.026 41 R CA 1.124 56.882 56.100 -0.569 0.000 1.121 41 R CB 0.349 30.215 30.300 -0.723 0.000 0.999 41 R HN 0.503 nan 8.270 nan 0.000 0.449 42 S N 0.744 116.251 115.700 -0.322 0.000 3.482 42 S HA -0.129 4.341 4.470 -0.000 0.000 0.294 42 S C 0.162 174.609 174.600 -0.255 0.000 1.244 42 S CA 1.340 59.405 58.200 -0.226 0.000 0.911 42 S CB -0.875 62.211 63.200 -0.190 0.000 1.070 42 S HN 0.857 nan 8.310 nan 0.000 0.614 43 K N -1.005 119.182 120.400 -0.354 0.000 2.548 43 K HA 0.382 4.702 4.320 -0.000 0.000 0.209 43 K C 0.898 177.425 176.600 -0.122 0.000 1.420 43 K CA 0.710 56.785 56.287 -0.354 0.000 0.985 43 K CB -0.200 31.859 32.500 -0.735 0.000 1.249 43 K HN 0.401 nan 8.250 nan 0.000 0.557 44 F N 1.819 121.669 119.950 -0.168 0.000 2.179 44 F HA 0.181 4.708 4.527 -0.000 0.000 0.292 44 F C 1.559 177.300 175.800 -0.098 0.000 1.089 44 F CA 0.507 58.448 58.000 -0.098 0.000 1.295 44 F CB -0.433 38.542 39.000 -0.042 0.000 1.041 44 F HN -0.203 nan 8.300 nan 0.000 0.487 45 K N 1.060 121.489 120.400 0.049 0.000 3.322 45 K HA 0.333 4.653 4.320 -0.000 0.000 0.291 45 K C 0.090 176.665 176.600 -0.041 0.000 1.131 45 K CA -0.047 56.224 56.287 -0.026 0.000 1.185 45 K CB -0.846 31.590 32.500 -0.107 0.000 1.338 45 K HN 0.315 nan 8.250 nan 0.000 0.380 46 G N 0.461 109.252 108.800 -0.015 0.000 2.725 46 G HA2 0.124 4.084 3.960 -0.000 0.000 0.288 46 G HA3 0.124 4.084 3.960 -0.000 0.000 0.288 46 G C -0.357 174.537 174.900 -0.010 0.000 1.399 46 G CA -0.660 44.425 45.100 -0.025 0.000 0.859 46 G HN 0.356 nan 8.290 nan 0.000 0.479 47 D N 0.236 120.628 120.400 -0.014 0.000 2.330 47 D HA -0.159 4.480 4.640 -0.000 0.000 0.228 47 D C 0.492 176.791 176.300 -0.001 0.000 1.136 47 D CA 0.913 54.908 54.000 -0.008 0.000 0.983 47 D CB -0.279 40.515 40.800 -0.010 0.000 1.403 47 D HN 0.391 nan 8.370 nan 0.000 0.524 48 K N 1.207 121.607 120.400 0.001 0.000 2.419 48 K HA 0.355 4.675 4.320 -0.000 0.000 0.282 48 K C 0.099 176.710 176.600 0.018 0.000 1.056 48 K CA -0.243 56.049 56.287 0.008 0.000 1.035 48 K CB 0.683 33.189 32.500 0.010 0.000 0.921 48 K HN 0.401 nan 8.250 nan 0.000 0.472 49 A N 3.698 126.529 122.820 0.019 0.000 2.455 49 A HA 0.183 4.503 4.320 -0.000 0.000 0.244 49 A C 0.019 177.631 177.584 0.048 0.000 1.099 49 A CA -0.217 51.839 52.037 0.031 0.000 0.786 49 A CB 0.083 19.088 19.000 0.008 0.000 1.051 49 A HN 0.566 nan 8.150 nan 0.000 0.508 50 L N 0.493 121.763 121.223 0.078 0.000 2.400 50 L HA 0.387 4.727 4.340 -0.000 0.000 0.264 50 L C 0.585 177.507 176.870 0.086 0.000 1.061 50 L CA -0.803 54.100 54.840 0.106 0.000 0.799 50 L CB 0.415 42.585 42.059 0.186 0.000 1.240 50 L HN 0.778 nan 8.230 nan 0.000 0.461 51 D N -0.083 120.377 120.400 0.099 0.000 2.358 51 D HA 0.089 4.729 4.640 -0.000 0.000 0.244 51 D C 1.162 177.522 176.300 0.100 0.000 1.163 51 D CA 0.013 54.063 54.000 0.085 0.000 0.945 51 D CB 0.845 41.694 40.800 0.083 0.000 1.152 51 D HN 0.601 nan 8.370 nan 0.000 0.451 52 G N 0.217 109.061 108.800 0.073 0.000 2.574 52 G HA2 -0.398 3.561 3.960 -0.000 0.000 0.220 52 G HA3 -0.398 3.561 3.960 -0.000 0.000 0.220 52 G C 1.336 176.288 174.900 0.087 0.000 1.173 52 G CA 1.313 46.446 45.100 0.055 0.000 0.772 52 G HN 0.680 nan 8.290 nan 0.000 0.585 53 Y N 1.563 121.869 120.300 0.011 0.000 2.128 53 Y HA -0.173 4.377 4.550 -0.000 0.000 0.284 53 Y C 3.214 179.115 175.900 0.002 0.000 1.154 53 Y CA 2.143 60.244 58.100 0.002 0.000 1.149 53 Y CB -0.112 38.348 38.460 0.000 0.000 0.976 53 Y HN 0.245 nan 8.280 nan 0.000 0.505 54 S N -0.130 115.737 115.700 0.278 0.000 2.406 54 S HA -0.130 4.339 4.470 -0.000 0.000 0.228 54 S C 1.859 176.635 174.600 0.293 0.000 1.020 54 S CA 0.986 59.335 58.200 0.248 0.000 0.965 54 S CB -0.159 63.254 63.200 0.355 0.000 0.798 54 S HN 0.380 nan 8.310 nan 0.000 0.488 55 K N 1.455 121.991 120.400 0.225 0.000 1.965 55 K HA -0.131 4.189 4.320 -0.000 0.000 0.214 55 K C 2.217 178.862 176.600 0.076 0.000 1.046 55 K CA 1.332 57.734 56.287 0.191 0.000 0.944 55 K CB -0.338 32.178 32.500 0.027 0.000 0.726 55 K HN 0.197 nan 8.250 nan 0.000 0.441 56 K N 1.697 122.073 120.400 -0.039 0.000 2.066 56 K HA -0.326 3.994 4.320 -0.000 0.000 0.221 56 K C 2.128 178.658 176.600 -0.118 0.000 1.056 56 K CA 2.573 58.792 56.287 -0.112 0.000 0.950 56 K CB -0.238 32.160 32.500 -0.170 0.000 0.726 56 K HN 0.072 nan 8.250 nan 0.000 0.456 57 K N -0.598 119.689 120.400 -0.189 0.000 2.026 57 K HA -0.191 4.129 4.320 -0.000 0.000 0.208 57 K C 2.070 178.576 176.600 -0.156 0.000 1.048 57 K CA 1.815 57.952 56.287 -0.250 0.000 0.929 57 K CB -0.331 31.923 32.500 -0.410 0.000 0.713 57 K HN 0.346 nan 8.250 nan 0.000 0.439 58 Y N 0.647 120.967 120.300 0.033 0.000 2.352 58 Y HA -0.161 4.389 4.550 -0.000 0.000 0.292 58 Y C 2.258 178.218 175.900 0.100 0.000 1.136 58 Y CA 0.683 58.815 58.100 0.053 0.000 1.227 58 Y CB 0.099 38.590 38.460 0.053 0.000 0.991 58 Y HN -0.108 nan 8.280 nan 0.000 0.545 59 V N -1.511 118.523 119.914 0.200 0.000 2.244 59 V HA -0.333 3.787 4.120 -0.000 0.000 0.244 59 V C 2.434 178.598 176.094 0.115 0.000 1.042 59 V CA 1.629 63.939 62.300 0.017 0.000 1.006 59 V CB -0.927 30.784 31.823 -0.186 0.000 0.641 59 V HN 0.558 nan 8.190 nan 0.000 0.446 60 C N 0.049 119.404 119.300 0.090 0.000 2.391 60 C HA -0.248 4.211 4.460 -0.000 0.000 0.276 60 C C 2.878 177.994 174.990 0.209 0.000 1.217 60 C CA 1.729 60.826 59.018 0.132 0.000 1.766 60 C CB -1.070 26.692 27.740 0.037 0.000 2.046 60 C HN 0.529 nan 8.230 nan 0.000 0.475 61 K N -0.261 120.244 120.400 0.175 0.000 2.097 61 K HA -0.105 4.215 4.320 -0.000 0.000 0.206 61 K C 1.899 178.716 176.600 0.362 0.000 1.049 61 K CA 1.211 57.655 56.287 0.261 0.000 0.933 61 K CB -0.245 32.303 32.500 0.081 0.000 0.717 61 K HN 0.548 nan 8.250 nan 0.000 0.442 62 L N 0.521 121.908 121.223 0.273 0.000 2.027 62 L HA -0.184 4.156 4.340 -0.000 0.000 0.206 62 L C 2.442 179.516 176.870 0.339 0.000 1.074 62 L CA 0.569 55.574 54.840 0.275 0.000 0.745 62 L CB -0.447 41.728 42.059 0.194 0.000 0.898 62 L HN 0.187 nan 8.230 nan 0.000 0.433 63 L N -0.387 121.056 121.223 0.367 0.000 2.079 63 L HA -0.263 4.077 4.340 -0.000 0.000 0.210 63 L C 2.328 179.366 176.870 0.281 0.000 1.081 63 L CA 1.773 56.751 54.840 0.229 0.000 0.752 63 L CB -0.617 41.582 42.059 0.233 0.000 0.896 63 L HN 0.105 nan 8.230 nan 0.000 0.433 64 F N -0.339 119.728 119.950 0.195 0.000 2.146 64 F HA -0.137 4.390 4.527 -0.000 0.000 0.298 64 F C 2.184 178.091 175.800 0.177 0.000 1.096 64 F CA 1.570 59.667 58.000 0.162 0.000 1.275 64 F CB -0.150 38.941 39.000 0.151 0.000 1.008 64 F HN 0.038 nan 8.300 nan 0.000 0.480 65 I N -0.613 120.219 120.570 0.437 0.000 2.361 65 I HA -0.304 3.866 4.170 -0.000 0.000 0.251 65 I C 2.251 178.475 176.117 0.178 0.000 1.133 65 I CA 1.368 62.865 61.300 0.328 0.000 1.413 65 I CB -0.521 37.735 38.000 0.427 0.000 1.073 65 I HN 0.231 nan 8.210 nan 0.000 0.424 66 F N 1.397 121.362 119.950 0.026 0.000 2.098 66 F HA -0.131 4.396 4.527 -0.000 0.000 0.294 66 F C 2.076 177.814 175.800 -0.104 0.000 1.107 66 F CA 1.471 59.447 58.000 -0.041 0.000 1.234 66 F CB -0.093 38.848 39.000 -0.099 0.000 1.002 66 F HN -0.160 nan 8.300 nan 0.000 0.472 67 L N 0.543 121.724 121.223 -0.069 0.000 2.642 67 L HA -0.178 4.162 4.340 -0.000 0.000 0.236 67 L C 1.857 178.516 176.870 -0.352 0.000 1.169 67 L CA 0.253 54.960 54.840 -0.222 0.000 0.851 67 L CB -0.562 41.407 42.059 -0.150 0.000 0.968 67 L HN 0.364 nan 8.230 nan 0.000 0.453 68 L N -0.847 120.163 121.223 -0.356 0.000 2.253 68 L HA 0.132 4.472 4.340 -0.000 0.000 0.205 68 L C 1.592 178.333 176.870 -0.214 0.000 1.078 68 L CA 1.129 55.785 54.840 -0.307 0.000 0.805 68 L CB -0.107 41.798 42.059 -0.257 0.000 0.963 68 L HN 0.478 nan 8.230 nan 0.000 0.459 69 G N -1.863 106.799 108.800 -0.230 0.000 2.273 69 G HA2 -0.182 3.777 3.960 -0.000 0.000 0.162 69 G HA3 -0.182 3.777 3.960 -0.000 0.000 0.162 69 G C -0.049 174.788 174.900 -0.104 0.000 1.006 69 G CA -0.470 44.501 45.100 -0.215 0.000 0.704 69 G HN 0.317 nan 8.290 nan 0.000 0.487 70 H N 1.338 120.325 119.070 -0.138 0.000 2.546 70 H HA 0.621 5.177 4.556 -0.000 0.000 0.365 70 H C -0.047 175.269 175.328 -0.020 0.000 1.220 70 H CA 0.314 56.338 56.048 -0.041 0.000 1.386 70 H CB 0.916 30.700 29.762 0.036 0.000 1.510 70 H HN 0.130 nan 8.280 nan 0.000 0.591 71 D N 1.371 121.569 120.400 -0.335 0.000 2.440 71 D HA 0.275 4.915 4.640 -0.000 0.000 0.258 71 D C -0.248 176.096 176.300 0.072 0.000 1.092 71 D CA -0.213 53.756 54.000 -0.051 0.000 1.016 71 D CB 1.454 42.200 40.800 -0.091 0.000 1.141 71 D HN 0.266 nan 8.370 nan 0.000 0.552 72 I N 1.777 122.449 120.570 0.170 0.000 2.497 72 I HA 0.039 4.209 4.170 -0.000 0.000 0.284 72 I C -0.085 176.135 176.117 0.171 0.000 1.060 72 I CA -0.581 60.800 61.300 0.135 0.000 1.071 72 I CB 1.598 39.633 38.000 0.058 0.000 1.216 72 I HN 0.307 nan 8.210 nan 0.000 0.442 73 D N 5.938 126.475 120.400 0.228 0.000 2.395 73 D HA 0.144 4.783 4.640 -0.000 0.000 0.226 73 D C -0.098 176.456 176.300 0.424 0.000 1.146 73 D CA -0.026 54.141 54.000 0.277 0.000 0.830 73 D CB 0.115 41.051 40.800 0.227 0.000 0.958 73 D HN 0.322 nan 8.370 nan 0.000 0.501 74 F N -4.062 116.038 119.950 0.251 0.000 2.900 74 F HA 0.538 5.065 4.527 -0.000 0.000 0.321 74 F C 0.624 176.562 175.800 0.230 0.000 1.160 74 F CA -0.358 57.791 58.000 0.248 0.000 0.890 74 F CB 0.897 40.003 39.000 0.177 0.000 1.334 74 F HN -0.096 nan 8.300 nan 0.000 0.459 75 G N 0.620 109.574 108.800 0.256 0.000 2.213 75 G HA2 -0.285 3.674 3.960 -0.000 0.000 0.226 75 G HA3 -0.285 3.674 3.960 -0.000 0.000 0.226 75 G C 0.531 175.219 174.900 -0.352 0.000 0.992 75 G CA 0.486 45.519 45.100 -0.111 0.000 0.632 75 G HN 1.151 nan 8.290 nan 0.000 0.511 76 H N -0.635 118.390 119.070 -0.074 0.000 2.422 76 H HA 0.150 4.706 4.556 -0.000 0.000 0.298 76 H C 2.563 177.805 175.328 -0.144 0.000 1.098 76 H CA 2.088 58.113 56.048 -0.037 0.000 1.315 76 H CB -0.111 29.696 29.762 0.076 0.000 1.382 76 H HN 0.448 nan 8.280 nan 0.000 0.523 77 M N 0.220 119.808 119.600 -0.020 0.000 2.156 77 M HA -0.078 4.402 4.480 -0.000 0.000 0.264 77 M C 1.733 177.897 176.300 -0.227 0.000 1.067 77 M CA 1.380 56.625 55.300 -0.092 0.000 1.131 77 M CB 0.208 32.773 32.600 -0.059 0.000 1.368 77 M HN -0.002 nan 8.290 nan 0.000 0.416 78 E N -0.069 119.900 120.200 -0.384 0.000 2.219 78 E HA -0.151 4.199 4.350 -0.000 0.000 0.198 78 E C 1.834 178.162 176.600 -0.454 0.000 0.998 78 E CA 1.479 57.548 56.400 -0.552 0.000 0.818 78 E CB -0.401 28.637 29.700 -1.104 0.000 0.741 78 E HN 0.585 nan 8.360 nan 0.000 0.477 79 A N -0.242 122.300 122.820 -0.463 0.000 1.930 79 A HA -0.048 4.272 4.320 -0.000 0.000 0.215 79 A C 2.315 179.732 177.584 -0.279 0.000 1.176 79 A CA 0.843 52.623 52.037 -0.430 0.000 0.632 79 A CB -0.172 18.503 19.000 -0.542 0.000 0.819 79 A HN 0.153 nan 8.150 nan 0.000 0.445 80 V N 0.985 120.770 119.914 -0.215 0.000 2.548 80 V HA -0.196 3.924 4.120 -0.000 0.000 0.249 80 V C 2.177 178.154 176.094 -0.194 0.000 1.055 80 V CA 1.816 64.007 62.300 -0.181 0.000 1.065 80 V CB -1.033 30.724 31.823 -0.111 0.000 0.681 80 V HN 0.495 nan 8.190 nan 0.000 0.462 81 N N 0.739 119.322 118.700 -0.195 0.000 2.061 81 N HA -0.151 4.588 4.740 -0.000 0.000 0.193 81 N C 1.732 177.129 175.510 -0.189 0.000 1.030 81 N CA 1.491 54.437 53.050 -0.173 0.000 0.856 81 N CB -0.563 37.820 38.487 -0.173 0.000 1.023 81 N HN 0.383 nan 8.380 nan 0.000 0.424 82 L N 0.453 121.543 121.223 -0.221 0.000 2.187 82 L HA -0.112 4.228 4.340 -0.000 0.000 0.213 82 L C 1.873 178.581 176.870 -0.270 0.000 1.100 82 L CA 0.596 55.304 54.840 -0.220 0.000 0.765 82 L CB -0.353 41.569 42.059 -0.227 0.000 0.904 82 L HN 0.178 nan 8.230 nan 0.000 0.437 83 L N -1.260 119.761 121.223 -0.338 0.000 2.362 83 L HA -0.118 4.222 4.340 -0.000 0.000 0.219 83 L C 2.194 178.859 176.870 -0.342 0.000 1.134 83 L CA 0.585 55.141 54.840 -0.474 0.000 0.807 83 L CB -0.266 41.467 42.059 -0.545 0.000 0.927 83 L HN 0.183 nan 8.230 nan 0.000 0.447 84 S N -1.774 113.780 115.700 -0.243 0.000 2.503 84 S HA 0.007 4.477 4.470 -0.000 0.000 0.215 84 S C 1.028 175.524 174.600 -0.175 0.000 1.003 84 S CA -0.138 57.951 58.200 -0.185 0.000 0.910 84 S CB 0.198 63.321 63.200 -0.129 0.000 0.790 84 S HN 0.358 nan 8.310 nan 0.000 0.514 85 S N 2.214 117.811 115.700 -0.172 0.000 2.559 85 S HA 0.031 4.501 4.470 -0.000 0.000 0.282 85 S C 1.034 175.557 174.600 -0.128 0.000 1.336 85 S CA -0.232 57.897 58.200 -0.118 0.000 1.037 85 S CB 0.203 63.342 63.200 -0.102 0.000 0.853 85 S HN 0.307 nan 8.310 nan 0.000 0.523 86 N N 2.101 120.795 118.700 -0.009 0.000 2.463 86 N HA 0.048 4.788 4.740 -0.000 0.000 0.181 86 N C -0.038 175.618 175.510 0.244 0.000 1.078 86 N CA 0.408 53.536 53.050 0.130 0.000 0.902 86 N CB -0.008 38.570 38.487 0.152 0.000 0.970 86 N HN 0.516 nan 8.380 nan 0.000 0.451 87 R N 0.821 121.397 120.500 0.127 0.000 2.267 87 R HA 0.030 4.370 4.340 -0.000 0.000 0.319 87 R C 0.771 177.176 176.300 0.175 0.000 1.067 87 R CA -0.347 55.848 56.100 0.158 0.000 0.936 87 R CB 0.605 30.959 30.300 0.089 0.000 1.006 87 R HN 0.162 nan 8.270 nan 0.000 0.452 88 Y N 3.747 124.155 120.300 0.180 0.000 2.053 88 Y HA -0.354 4.196 4.550 -0.000 0.000 0.277 88 Y C 2.517 178.468 175.900 0.086 0.000 1.159 88 Y CA 2.613 60.818 58.100 0.175 0.000 1.125 88 Y CB -0.398 38.151 38.460 0.148 0.000 0.969 88 Y HN 0.716 nan 8.280 nan 0.000 0.492 89 T N -1.938 112.584 114.554 -0.053 0.000 2.897 89 T HA -0.197 4.153 4.350 -0.000 0.000 0.271 89 T C 1.512 176.084 174.700 -0.213 0.000 1.084 89 T CA 1.815 63.800 62.100 -0.192 0.000 1.123 89 T CB -0.443 68.436 68.868 0.020 0.000 0.865 89 T HN 0.661 nan 8.240 nan 0.000 0.496 90 E N 0.818 120.932 120.200 -0.144 0.000 2.060 90 E HA 0.012 4.362 4.350 -0.000 0.000 0.189 90 E C 2.490 178.976 176.600 -0.191 0.000 0.974 90 E CA 0.661 56.976 56.400 -0.142 0.000 0.808 90 E CB -0.007 29.639 29.700 -0.092 0.000 0.768 90 E HN 0.522 nan 8.360 nan 0.000 0.453 91 K N 1.043 121.323 120.400 -0.200 0.000 2.044 91 K HA -0.232 4.088 4.320 -0.000 0.000 0.210 91 K C 2.333 178.848 176.600 -0.142 0.000 1.049 91 K CA 1.250 57.413 56.287 -0.206 0.000 0.927 91 K CB -0.173 32.248 32.500 -0.131 0.000 0.713 91 K HN 0.095 nan 8.250 nan 0.000 0.443 92 Q N 1.003 120.644 119.800 -0.265 0.000 2.062 92 Q HA -0.214 4.126 4.340 -0.000 0.000 0.209 92 Q C 2.093 178.040 176.000 -0.088 0.000 0.996 92 Q CA 1.732 57.391 55.803 -0.240 0.000 0.859 92 Q CB -0.160 28.241 28.738 -0.561 0.000 0.920 92 Q HN 0.397 nan 8.270 nan 0.000 0.415 93 I N -0.268 120.229 120.570 -0.122 0.000 2.315 93 I HA -0.184 3.986 4.170 -0.000 0.000 0.248 93 I C 2.337 178.437 176.117 -0.029 0.000 1.117 93 I CA 0.924 62.192 61.300 -0.053 0.000 1.404 93 I CB -0.677 37.279 38.000 -0.073 0.000 1.071 93 I HN 0.303 nan 8.210 nan 0.000 0.419 94 G N 0.167 108.893 108.800 -0.123 0.000 2.459 94 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.217 94 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.217 94 G C 1.578 176.422 174.900 -0.092 0.000 1.183 94 G CA 0.686 45.680 45.100 -0.177 0.000 0.776 94 G HN 0.306 nan 8.290 nan 0.000 0.552 95 Y N -0.371 119.904 120.300 -0.041 0.000 2.200 95 Y HA -0.053 4.497 4.550 -0.000 0.000 0.290 95 Y C 2.665 178.568 175.900 0.005 0.000 1.137 95 Y CA 0.678 58.764 58.100 -0.023 0.000 1.163 95 Y CB -0.172 38.259 38.460 -0.048 0.000 0.988 95 Y HN 0.206 nan 8.280 nan 0.000 0.518 96 L N -0.410 120.913 121.223 0.167 0.000 2.012 96 L HA -0.264 4.076 4.340 -0.000 0.000 0.210 96 L C 2.157 179.069 176.870 0.070 0.000 1.073 96 L CA 1.686 56.585 54.840 0.099 0.000 0.748 96 L CB -1.187 40.916 42.059 0.074 0.000 0.891 96 L HN 0.249 nan 8.230 nan 0.000 0.431 97 F N 0.703 120.620 119.950 -0.055 0.000 2.065 97 F HA -0.280 4.247 4.527 -0.000 0.000 0.298 97 F C 2.273 177.996 175.800 -0.128 0.000 1.112 97 F CA 2.553 60.480 58.000 -0.121 0.000 1.212 97 F CB -0.281 38.623 39.000 -0.161 0.000 0.975 97 F HN 0.269 nan 8.300 nan 0.000 0.476 98 I N -2.702 117.958 120.570 0.150 0.000 3.111 98 I HA -0.058 4.112 4.170 -0.000 0.000 0.272 98 I C 1.971 178.105 176.117 0.028 0.000 1.268 98 I CA 1.010 62.367 61.300 0.095 0.000 1.467 98 I CB -0.630 37.456 38.000 0.144 0.000 1.087 98 I HN -0.012 nan 8.210 nan 0.000 0.467 99 S N 1.479 117.196 115.700 0.028 0.000 2.345 99 S HA -0.049 4.420 4.470 -0.000 0.000 0.219 99 S C 2.070 176.640 174.600 -0.050 0.000 1.031 99 S CA 1.395 59.603 58.200 0.013 0.000 0.984 99 S CB -0.265 62.959 63.200 0.039 0.000 0.874 99 S HN 0.362 nan 8.310 nan 0.000 0.451 100 V N 1.536 121.382 119.914 -0.114 0.000 2.307 100 V HA -0.038 4.082 4.120 -0.000 0.000 0.245 100 V C 0.454 176.375 176.094 -0.289 0.000 1.045 100 V CA 1.243 63.448 62.300 -0.159 0.000 1.024 100 V CB -0.595 31.115 31.823 -0.188 0.000 0.651 100 V HN 0.306 nan 8.190 nan 0.000 0.449 101 L N 1.099 122.005 121.223 -0.528 0.000 2.314 101 L HA 0.398 4.738 4.340 -0.000 0.000 0.275 101 L C -0.273 176.492 176.870 -0.174 0.000 1.068 101 L CA 0.219 54.720 54.840 -0.564 0.000 0.894 101 L CB 0.587 42.024 42.059 -1.037 0.000 1.275 101 L HN -0.037 nan 8.230 nan 0.000 0.432 102 V N 0.954 120.822 119.914 -0.077 0.000 3.262 102 V HA 0.648 4.768 4.120 -0.000 0.000 0.313 102 V C 0.099 176.180 176.094 -0.021 0.000 1.070 102 V CA -0.807 61.488 62.300 -0.009 0.000 1.049 102 V CB 1.602 33.424 31.823 -0.003 0.000 1.157 102 V HN 0.906 nan 8.190 nan 0.000 0.454 103 N N -1.271 117.406 118.700 -0.039 0.000 2.825 103 N HA 0.222 4.962 4.740 -0.000 0.000 0.253 103 N C -0.170 175.311 175.510 -0.049 0.000 1.426 103 N CA -0.449 52.555 53.050 -0.077 0.000 0.851 103 N CB 1.859 40.228 38.487 -0.196 0.000 1.470 103 N HN 0.411 nan 8.380 nan 0.000 0.517 104 S N -0.781 114.890 115.700 -0.048 0.000 2.593 104 S HA -0.043 4.427 4.470 -0.000 0.000 0.217 104 S C 0.625 175.205 174.600 -0.034 0.000 0.966 104 S CA -0.326 57.855 58.200 -0.031 0.000 0.914 104 S CB -0.712 62.474 63.200 -0.024 0.000 0.776 104 S HN 0.609 nan 8.310 nan 0.000 0.523 105 N N 2.752 121.420 118.700 -0.053 0.000 2.394 105 N HA -0.030 4.709 4.740 -0.000 0.000 0.288 105 N C 0.889 176.381 175.510 -0.029 0.000 1.272 105 N CA 0.032 53.053 53.050 -0.048 0.000 1.004 105 N CB 0.348 38.791 38.487 -0.074 0.000 1.393 105 N HN 0.293 nan 8.380 nan 0.000 0.488 106 S N 2.639 118.327 115.700 -0.021 0.000 2.409 106 S HA -0.310 4.160 4.470 -0.000 0.000 0.237 106 S C 1.554 176.148 174.600 -0.010 0.000 1.060 106 S CA 1.605 59.797 58.200 -0.014 0.000 1.052 106 S CB -0.211 62.981 63.200 -0.013 0.000 0.871 106 S HN 0.770 nan 8.310 nan 0.000 0.465 107 E N 1.846 122.039 120.200 -0.013 0.000 2.016 107 E HA -0.008 4.342 4.350 -0.000 0.000 0.190 107 E C 1.958 178.554 176.600 -0.005 0.000 0.985 107 E CA 1.027 57.422 56.400 -0.009 0.000 0.802 107 E CB -0.589 29.104 29.700 -0.011 0.000 0.762 107 E HN 0.548 nan 8.360 nan 0.000 0.448 108 L N 0.172 121.390 121.223 -0.009 0.000 2.079 108 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 108 L C 2.434 179.314 176.870 0.016 0.000 1.081 108 L CA 0.744 55.584 54.840 0.001 0.000 0.752 108 L CB -0.438 41.617 42.059 -0.007 0.000 0.896 108 L HN 0.236 nan 8.230 nan 0.000 0.433 109 I N -0.591 119.986 120.570 0.013 0.000 2.335 109 I HA -0.270 3.900 4.170 -0.000 0.000 0.251 109 I C 2.677 178.821 176.117 0.044 0.000 1.129 109 I CA 1.539 62.857 61.300 0.030 0.000 1.402 109 I CB -0.336 37.675 38.000 0.018 0.000 1.069 109 I HN 0.141 nan 8.210 nan 0.000 0.424 110 R N -0.630 119.887 120.500 0.028 0.000 2.279 110 R HA 0.189 4.528 4.340 -0.000 0.000 0.195 110 R C 2.167 178.488 176.300 0.034 0.000 0.905 110 R CA 0.096 56.213 56.100 0.029 0.000 1.044 110 R CB 0.188 30.492 30.300 0.006 0.000 1.056 110 R HN 0.273 nan 8.270 nan 0.000 0.535 111 L N 0.652 121.888 121.223 0.022 0.000 2.083 111 L HA -0.167 4.173 4.340 -0.000 0.000 0.209 111 L C 2.156 179.041 176.870 0.025 0.000 1.083 111 L CA 1.387 56.235 54.840 0.013 0.000 0.752 111 L CB -0.130 41.926 42.059 -0.004 0.000 0.899 111 L HN 0.232 nan 8.230 nan 0.000 0.433 112 I N -0.464 120.132 120.570 0.043 0.000 2.286 112 I HA -0.246 3.924 4.170 -0.000 0.000 0.245 112 I C 1.953 178.152 176.117 0.135 0.000 1.104 112 I CA 0.804 62.142 61.300 0.063 0.000 1.397 112 I CB -0.258 37.789 38.000 0.079 0.000 1.072 112 I HN 0.317 nan 8.210 nan 0.000 0.417 113 N N 1.019 119.829 118.700 0.183 0.000 2.289 113 N HA -0.179 4.560 4.740 -0.000 0.000 0.184 113 N C 1.525 177.229 175.510 0.324 0.000 1.016 113 N CA 1.138 54.402 53.050 0.357 0.000 0.872 113 N CB -0.519 38.107 38.487 0.231 0.000 0.973 113 N HN 0.313 nan 8.380 nan 0.000 0.433 114 N N 0.435 119.231 118.700 0.159 0.000 2.135 114 N HA 0.048 4.788 4.740 -0.000 0.000 0.186 114 N C 1.600 177.166 175.510 0.093 0.000 1.027 114 N CA 1.178 54.297 53.050 0.114 0.000 0.849 114 N CB -0.244 38.276 38.487 0.055 0.000 1.002 114 N HN 0.190 nan 8.380 nan 0.000 0.425 115 A N 0.921 123.774 122.820 0.054 0.000 1.873 115 A HA -0.179 4.140 4.320 -0.000 0.000 0.218 115 A C 2.206 179.832 177.584 0.070 0.000 1.193 115 A CA 1.426 53.471 52.037 0.015 0.000 0.629 115 A CB -1.016 17.944 19.000 -0.066 0.000 0.826 115 A HN 0.345 nan 8.150 nan 0.000 0.447 116 I N -0.244 120.390 120.570 0.106 0.000 2.208 116 I HA -0.305 3.865 4.170 -0.000 0.000 0.245 116 I C 2.587 178.674 176.117 -0.050 0.000 1.097 116 I CA 1.972 63.273 61.300 0.000 0.000 1.363 116 I CB -0.347 37.538 38.000 -0.191 0.000 1.051 116 I HN 0.496 nan 8.210 nan 0.000 0.413 117 K N 1.270 121.751 120.400 0.134 0.000 2.032 117 K HA -0.244 4.076 4.320 -0.000 0.000 0.209 117 K C 1.850 178.517 176.600 0.113 0.000 1.048 117 K CA 2.075 58.503 56.287 0.236 0.000 0.927 117 K CB -0.139 32.538 32.500 0.294 0.000 0.712 117 K HN 0.229 nan 8.250 nan 0.000 0.441 118 N N 1.457 120.208 118.700 0.084 0.000 2.058 118 N HA -0.134 4.605 4.740 -0.000 0.000 0.191 118 N C 1.411 176.960 175.510 0.064 0.000 1.037 118 N CA 1.635 54.722 53.050 0.062 0.000 0.848 118 N CB -0.526 37.983 38.487 0.036 0.000 1.021 118 N HN 0.270 nan 8.380 nan 0.000 0.422 119 D N 0.531 120.962 120.400 0.053 0.000 2.123 119 D HA -0.102 4.538 4.640 -0.000 0.000 0.196 119 D C 2.046 178.393 176.300 0.078 0.000 0.992 119 D CA 0.559 54.608 54.000 0.082 0.000 0.833 119 D CB -0.353 40.489 40.800 0.070 0.000 0.954 119 D HN 0.220 nan 8.370 nan 0.000 0.455 120 L N 0.315 121.548 121.223 0.017 0.000 2.191 120 L HA -0.151 4.189 4.340 -0.000 0.000 0.212 120 L C 2.225 179.119 176.870 0.039 0.000 1.103 120 L CA 1.053 55.892 54.840 -0.001 0.000 0.769 120 L CB -0.143 41.888 42.059 -0.046 0.000 0.908 120 L HN -0.005 nan 8.230 nan 0.000 0.438 121 A N -1.092 121.764 122.820 0.060 0.000 2.147 121 A HA -0.049 4.271 4.320 -0.000 0.000 0.211 121 A C 2.326 179.951 177.584 0.068 0.000 1.160 121 A CA 0.781 52.855 52.037 0.063 0.000 0.781 121 A CB -0.251 18.789 19.000 0.067 0.000 0.842 121 A HN 0.442 nan 8.150 nan 0.000 0.475 122 S N -0.445 115.312 115.700 0.095 0.000 2.469 122 S HA -0.132 4.338 4.470 -0.000 0.000 0.238 122 S C 1.143 175.791 174.600 0.080 0.000 0.998 122 S CA 0.839 59.111 58.200 0.119 0.000 0.957 122 S CB -0.457 62.883 63.200 0.233 0.000 0.764 122 S HN 0.562 nan 8.310 nan 0.000 0.514 123 R N 0.423 120.958 120.500 0.058 0.000 4.000 123 R HA -0.154 4.186 4.340 -0.000 0.000 0.348 123 R C -0.460 175.838 176.300 -0.002 0.000 1.204 123 R CA 0.911 57.026 56.100 0.025 0.000 0.987 123 R CB -2.193 28.119 30.300 0.019 0.000 1.446 123 R HN 0.629 nan 8.270 nan 0.000 0.555 124 N N 0.819 119.519 118.700 -0.000 0.000 2.408 124 N HA 0.127 4.867 4.740 -0.000 0.000 0.257 124 N C -1.727 173.730 175.510 -0.090 0.000 1.064 124 N CA -2.172 50.812 53.050 -0.111 0.000 0.952 124 N CB 1.414 39.738 38.487 -0.272 0.000 1.093 124 N HN -0.181 nan 8.380 nan 0.000 0.490 125 P HA -0.029 nan 4.420 nan 0.000 0.216 125 P C 1.118 178.381 177.300 -0.062 0.000 1.153 125 P CA 1.217 64.275 63.100 -0.069 0.000 0.844 125 P CB 0.213 31.868 31.700 -0.075 0.000 0.787 126 T N -0.730 113.758 114.554 -0.111 0.000 2.665 126 T HA -0.158 4.191 4.350 -0.000 0.000 0.268 126 T C 1.549 176.344 174.700 0.159 0.000 1.035 126 T CA 1.354 63.429 62.100 -0.043 0.000 1.151 126 T CB -1.040 67.759 68.868 -0.115 0.000 0.862 126 T HN 0.095 nan 8.240 nan 0.000 0.438 127 F N 0.652 120.610 119.950 0.013 0.000 2.113 127 F HA -0.057 4.470 4.527 -0.000 0.000 0.297 127 F C 2.693 178.465 175.800 -0.047 0.000 1.103 127 F CA 0.561 58.574 58.000 0.021 0.000 1.248 127 F CB -0.389 38.636 39.000 0.041 0.000 0.999 127 F HN 0.092 nan 8.300 nan 0.000 0.475 128 M N 0.348 120.031 119.600 0.138 0.000 2.144 128 M HA -0.182 4.298 4.480 -0.000 0.000 0.260 128 M C 2.473 178.744 176.300 -0.049 0.000 1.067 128 M CA 1.838 57.153 55.300 0.024 0.000 1.095 128 M CB -1.102 31.501 32.600 0.005 0.000 1.365 128 M HN 0.265 nan 8.290 nan 0.000 0.406 129 G N 0.300 109.060 108.800 -0.066 0.000 2.414 129 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.215 129 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.215 129 G C 1.471 176.186 174.900 -0.309 0.000 1.188 129 G CA 0.344 45.338 45.100 -0.176 0.000 0.783 129 G HN 0.327 nan 8.290 nan 0.000 0.537 130 L N 0.656 121.725 121.223 -0.256 0.000 2.064 130 L HA -0.253 4.086 4.340 -0.000 0.000 0.216 130 L C 3.362 179.781 176.870 -0.751 0.000 1.077 130 L CA 1.446 56.051 54.840 -0.391 0.000 0.766 130 L CB -0.311 41.655 42.059 -0.156 0.000 0.890 130 L HN 0.368 nan 8.230 nan 0.000 0.435 131 A N -0.401 122.081 122.820 -0.562 0.000 1.854 131 A HA -0.120 4.200 4.320 -0.000 0.000 0.214 131 A C 2.162 179.541 177.584 -0.341 0.000 1.192 131 A CA 0.960 52.670 52.037 -0.546 0.000 0.611 131 A CB -0.654 18.175 19.000 -0.285 0.000 0.832 131 A HN 0.330 nan 8.150 nan 0.000 0.442 132 L N -0.904 120.203 121.223 -0.194 0.000 2.081 132 L HA -0.288 4.051 4.340 -0.000 0.000 0.212 132 L C 2.634 179.502 176.870 -0.003 0.000 1.080 132 L CA 1.759 56.550 54.840 -0.081 0.000 0.754 132 L CB -0.813 41.249 42.059 0.006 0.000 0.893 132 L HN 0.568 nan 8.230 nan 0.000 0.433 133 H N -1.945 117.007 119.070 -0.197 0.000 2.326 133 H HA -0.212 4.343 4.556 -0.000 0.000 0.301 133 H C 2.505 177.737 175.328 -0.161 0.000 1.081 133 H CA 1.482 57.437 56.048 -0.156 0.000 1.334 133 H CB -0.100 29.579 29.762 -0.138 0.000 1.385 133 H HN 0.447 nan 8.280 nan 0.000 0.504 134 C N 1.151 120.380 119.300 -0.119 0.000 2.398 134 C HA -0.181 4.279 4.460 -0.000 0.000 0.276 134 C C 2.807 177.765 174.990 -0.052 0.000 1.222 134 C CA 0.951 59.913 59.018 -0.093 0.000 1.746 134 C CB -1.314 26.337 27.740 -0.148 0.000 2.039 134 C HN 0.426 nan 8.230 nan 0.000 0.470 135 I N 0.977 121.489 120.570 -0.097 0.000 2.264 135 I HA -0.204 3.966 4.170 -0.000 0.000 0.248 135 I C 2.605 178.706 176.117 -0.026 0.000 1.111 135 I CA 1.822 63.088 61.300 -0.057 0.000 1.382 135 I CB -0.339 37.594 38.000 -0.111 0.000 1.060 135 I HN 0.453 nan 8.210 nan 0.000 0.418 136 A N -0.163 122.625 122.820 -0.053 0.000 2.147 136 A HA 0.003 4.323 4.320 -0.000 0.000 0.211 136 A C 1.853 179.402 177.584 -0.057 0.000 1.160 136 A CA 0.577 52.577 52.037 -0.062 0.000 0.781 136 A CB -0.227 18.707 19.000 -0.110 0.000 0.842 136 A HN 0.331 nan 8.150 nan 0.000 0.475 137 N N -0.290 118.382 118.700 -0.046 0.000 2.415 137 N HA -0.003 4.737 4.740 -0.000 0.000 0.176 137 N C 1.444 176.948 175.510 -0.010 0.000 1.042 137 N CA 1.208 54.239 53.050 -0.031 0.000 0.902 137 N CB 0.311 38.788 38.487 -0.018 0.000 0.986 137 N HN 0.285 nan 8.380 nan 0.000 0.447 138 V N -0.440 119.475 119.914 0.002 0.000 2.521 138 V HA 0.197 4.317 4.120 -0.000 0.000 0.239 138 V C 1.513 177.619 176.094 0.020 0.000 1.053 138 V CA 1.098 63.408 62.300 0.017 0.000 1.073 138 V CB -0.809 31.035 31.823 0.036 0.000 0.746 138 V HN 0.311 nan 8.190 nan 0.000 0.476 139 G N 1.995 110.810 108.800 0.026 0.000 2.212 139 G HA2 -0.311 3.648 3.960 -0.000 0.000 0.267 139 G HA3 -0.311 3.648 3.960 -0.000 0.000 0.267 139 G C 0.463 175.384 174.900 0.035 0.000 1.002 139 G CA 0.661 45.779 45.100 0.030 0.000 0.729 139 G HN 0.943 nan 8.290 nan 0.000 0.517 140 S N -0.875 114.851 115.700 0.043 0.000 2.558 140 S HA 0.297 4.767 4.470 -0.000 0.000 0.288 140 S C 1.542 176.163 174.600 0.036 0.000 1.318 140 S CA 0.683 58.905 58.200 0.037 0.000 1.056 140 S CB 1.386 64.611 63.200 0.042 0.000 0.853 140 S HN 0.762 nan 8.310 nan 0.000 0.505 141 R N 2.136 122.648 120.500 0.019 0.000 2.133 141 R HA -0.182 4.158 4.340 -0.000 0.000 0.247 141 R C 1.696 178.001 176.300 0.009 0.000 1.151 141 R CA 2.354 58.461 56.100 0.011 0.000 0.971 141 R CB -0.967 29.334 30.300 0.001 0.000 0.866 141 R HN 0.847 nan 8.270 nan 0.000 0.447 142 E N -0.361 119.846 120.200 0.012 0.000 2.171 142 E HA -0.193 4.156 4.350 -0.000 0.000 0.197 142 E C 1.881 178.481 176.600 0.000 0.000 0.997 142 E CA 2.013 58.414 56.400 0.002 0.000 0.810 142 E CB -0.140 29.568 29.700 0.013 0.000 0.738 142 E HN 0.462 nan 8.360 nan 0.000 0.467 143 M N -0.804 118.833 119.600 0.062 0.000 2.216 143 M HA 0.063 4.543 4.480 -0.000 0.000 0.264 143 M C 2.346 178.711 176.300 0.108 0.000 1.080 143 M CA 1.002 56.395 55.300 0.155 0.000 1.153 143 M CB -0.165 32.595 32.600 0.267 0.000 1.356 143 M HN 0.164 nan 8.290 nan 0.000 0.432 144 A N 0.857 123.725 122.820 0.080 0.000 1.940 144 A HA -0.254 4.065 4.320 -0.000 0.000 0.221 144 A C 1.925 179.510 177.584 0.001 0.000 1.190 144 A CA 2.154 54.224 52.037 0.055 0.000 0.647 144 A CB -0.908 18.110 19.000 0.032 0.000 0.821 144 A HN 0.563 nan 8.150 nan 0.000 0.457 145 E N -0.812 119.363 120.200 -0.042 0.000 2.077 145 E HA -0.131 4.219 4.350 -0.000 0.000 0.193 145 E C 2.320 178.821 176.600 -0.164 0.000 0.989 145 E CA 1.075 57.427 56.400 -0.079 0.000 0.800 145 E CB -0.258 29.398 29.700 -0.074 0.000 0.746 145 E HN 0.661 nan 8.360 nan 0.000 0.452 146 A N -0.052 122.573 122.820 -0.325 0.000 1.970 146 A HA -0.025 4.295 4.320 -0.000 0.000 0.216 146 A C 1.465 178.611 177.584 -0.730 0.000 1.170 146 A CA 0.863 52.499 52.037 -0.668 0.000 0.645 146 A CB -0.127 18.194 19.000 -1.131 0.000 0.816 146 A HN 0.211 nan 8.150 nan 0.000 0.447 147 F N -2.130 117.821 119.950 0.002 0.000 2.817 147 F HA 0.375 4.902 4.527 -0.000 0.000 0.333 147 F C 2.211 178.000 175.800 -0.018 0.000 1.085 147 F CA 0.129 58.126 58.000 -0.006 0.000 1.170 147 F CB 0.153 39.150 39.000 -0.006 0.000 1.066 147 F HN 0.157 nan 8.300 nan 0.000 0.564 148 A N 0.921 123.807 122.820 0.110 0.000 1.986 148 A HA -0.134 4.185 4.320 -0.000 0.000 0.220 148 A C 2.462 180.064 177.584 0.031 0.000 1.171 148 A CA 2.164 54.238 52.037 0.062 0.000 0.640 148 A CB -1.387 17.640 19.000 0.046 0.000 0.811 148 A HN 0.418 nan 8.150 nan 0.000 0.451 149 G N -1.170 107.652 108.800 0.037 0.000 2.421 149 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.217 149 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.217 149 G C 1.437 176.348 174.900 0.019 0.000 1.143 149 G CA 0.886 46.005 45.100 0.032 0.000 0.784 149 G HN 0.638 nan 8.290 nan 0.000 0.541 150 E N -0.335 119.893 120.200 0.047 0.000 2.250 150 E HA 0.066 4.415 4.350 -0.000 0.000 0.192 150 E C 2.373 178.967 176.600 -0.010 0.000 0.986 150 E CA -0.233 56.193 56.400 0.043 0.000 0.849 150 E CB 0.103 29.867 29.700 0.108 0.000 0.797 150 E HN 0.225 nan 8.360 nan 0.000 0.482 151 I N 1.377 121.929 120.570 -0.030 0.000 2.127 151 I HA -0.174 3.996 4.170 -0.000 0.000 0.241 151 I C -0.735 175.271 176.117 -0.185 0.000 1.075 151 I CA 1.347 62.594 61.300 -0.088 0.000 1.334 151 I CB -2.197 35.752 38.000 -0.086 0.000 1.040 151 I HN 0.028 nan 8.210 nan 0.000 0.405 152 P HA -0.179 nan 4.420 nan 0.000 0.215 152 P C 1.703 178.842 177.300 -0.267 0.000 1.157 152 P CA 1.670 64.427 63.100 -0.572 0.000 0.874 152 P CB -0.101 30.918 31.700 -1.136 0.000 0.790 153 K N -0.696 119.617 120.400 -0.145 0.000 2.089 153 K HA -0.175 4.145 4.320 -0.000 0.000 0.210 153 K C 2.051 178.640 176.600 -0.018 0.000 1.048 153 K CA 1.466 57.735 56.287 -0.030 0.000 0.926 153 K CB -0.702 31.800 32.500 0.003 0.000 0.714 153 K HN 0.179 nan 8.250 nan 0.000 0.448 154 I N 0.523 121.070 120.570 -0.037 0.000 2.110 154 I HA -0.287 3.883 4.170 -0.000 0.000 0.236 154 I C 2.299 178.401 176.117 -0.026 0.000 1.068 154 I CA 0.639 61.924 61.300 -0.025 0.000 1.333 154 I CB -0.446 37.533 38.000 -0.035 0.000 1.054 154 I HN 0.101 nan 8.210 nan 0.000 0.402 155 L N 1.241 122.431 121.223 -0.054 0.000 2.054 155 L HA -0.235 4.105 4.340 -0.000 0.000 0.220 155 L C 2.379 179.254 176.870 0.009 0.000 1.081 155 L CA 2.466 57.282 54.840 -0.040 0.000 0.780 155 L CB -0.684 41.324 42.059 -0.084 0.000 0.893 155 L HN 0.342 nan 8.230 nan 0.000 0.438 156 V N -3.084 116.850 119.914 0.032 0.000 3.174 156 V HA 0.397 4.516 4.120 -0.000 0.000 0.254 156 V C 1.447 177.585 176.094 0.074 0.000 1.120 156 V CA 0.103 62.456 62.300 0.089 0.000 1.114 156 V CB -1.572 30.344 31.823 0.155 0.000 0.756 156 V HN 0.462 nan 8.190 nan 0.000 0.467 157 A N 1.331 124.181 122.820 0.049 0.000 2.587 157 A HA 0.412 4.732 4.320 -0.000 0.000 0.233 157 A C 1.712 179.321 177.584 0.042 0.000 1.049 157 A CA 0.764 52.826 52.037 0.042 0.000 0.754 157 A CB -0.132 18.884 19.000 0.027 0.000 0.977 157 A HN 0.708 nan 8.150 nan 0.000 0.509 158 G N 0.877 109.702 108.800 0.042 0.000 2.394 158 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.215 158 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.215 158 G C 0.919 175.837 174.900 0.030 0.000 1.165 158 G CA 1.029 46.154 45.100 0.042 0.000 0.784 158 G HN 0.925 nan 8.290 nan 0.000 0.535 159 D N 0.604 121.018 120.400 0.023 0.000 2.363 159 D HA -0.027 4.612 4.640 -0.000 0.000 0.226 159 D C 0.176 176.480 176.300 0.007 0.000 1.020 159 D CA 0.277 54.286 54.000 0.015 0.000 0.892 159 D CB -0.566 40.242 40.800 0.013 0.000 0.900 159 D HN 0.071 nan 8.370 nan 0.000 0.531 160 T N 2.379 116.937 114.554 0.006 0.000 2.834 160 T HA 0.087 4.436 4.350 -0.000 0.000 0.298 160 T C 0.890 175.581 174.700 -0.015 0.000 0.966 160 T CA -0.502 61.595 62.100 -0.006 0.000 1.141 160 T CB 0.880 69.743 68.868 -0.007 0.000 0.905 160 T HN 0.045 nan 8.240 nan 0.000 0.535 161 M N 2.957 122.543 119.600 -0.024 0.000 2.246 161 M HA -0.022 4.457 4.480 -0.000 0.000 0.327 161 M C 1.069 177.333 176.300 -0.059 0.000 1.090 161 M CA 0.120 55.400 55.300 -0.034 0.000 1.087 161 M CB 0.166 32.743 32.600 -0.039 0.000 1.587 161 M HN 0.591 nan 8.290 nan 0.000 0.444 162 D N 0.786 121.137 120.400 -0.082 0.000 2.144 162 D HA -0.119 4.521 4.640 -0.000 0.000 0.199 162 D C 1.933 178.098 176.300 -0.225 0.000 0.984 162 D CA 1.716 55.602 54.000 -0.190 0.000 0.834 162 D CB -0.067 40.565 40.800 -0.280 0.000 0.955 162 D HN 0.755 nan 8.370 nan 0.000 0.465 163 S N -0.210 115.407 115.700 -0.139 0.000 2.419 163 S HA -0.104 4.366 4.470 -0.000 0.000 0.233 163 S C 2.042 176.607 174.600 -0.057 0.000 1.016 163 S CA 0.884 59.031 58.200 -0.088 0.000 0.974 163 S CB -0.284 62.890 63.200 -0.045 0.000 0.786 163 S HN 0.081 nan 8.310 nan 0.000 0.492 164 V N 1.528 121.407 119.914 -0.058 0.000 2.446 164 V HA 0.015 4.135 4.120 -0.000 0.000 0.244 164 V C 2.681 178.749 176.094 -0.044 0.000 1.039 164 V CA 1.525 63.802 62.300 -0.039 0.000 1.045 164 V CB -0.623 31.178 31.823 -0.036 0.000 0.681 164 V HN 0.442 nan 8.190 nan 0.000 0.459 165 K N -0.233 120.130 120.400 -0.060 0.000 2.089 165 K HA -0.300 4.020 4.320 -0.000 0.000 0.210 165 K C 2.291 178.853 176.600 -0.063 0.000 1.048 165 K CA 2.049 58.300 56.287 -0.059 0.000 0.926 165 K CB -0.174 32.286 32.500 -0.067 0.000 0.714 165 K HN 0.531 nan 8.250 nan 0.000 0.448 166 Q N -0.350 119.401 119.800 -0.081 0.000 2.020 166 Q HA -0.119 4.221 4.340 -0.000 0.000 0.202 166 Q C 2.290 178.268 176.000 -0.037 0.000 0.982 166 Q CA 1.639 57.405 55.803 -0.062 0.000 0.838 166 Q CB -0.026 28.676 28.738 -0.060 0.000 0.899 166 Q HN 0.204 nan 8.270 nan 0.000 0.423 167 S N 0.515 116.210 115.700 -0.008 0.000 2.383 167 S HA -0.105 4.365 4.470 -0.000 0.000 0.227 167 S C 2.000 176.584 174.600 -0.027 0.000 1.026 167 S CA 0.843 59.049 58.200 0.010 0.000 0.981 167 S CB -0.204 63.085 63.200 0.149 0.000 0.818 167 S HN 0.471 nan 8.310 nan 0.000 0.472 168 A N 1.582 124.382 122.820 -0.033 0.000 1.940 168 A HA 0.010 4.330 4.320 -0.000 0.000 0.219 168 A C 2.319 179.861 177.584 -0.071 0.000 1.176 168 A CA 1.817 53.822 52.037 -0.054 0.000 0.631 168 A CB -1.020 17.945 19.000 -0.058 0.000 0.814 168 A HN 0.521 nan 8.150 nan 0.000 0.446 169 A N -0.369 122.413 122.820 -0.063 0.000 1.873 169 A HA 0.025 4.344 4.320 -0.000 0.000 0.215 169 A C 2.092 179.637 177.584 -0.066 0.000 1.186 169 A CA 1.406 53.404 52.037 -0.064 0.000 0.616 169 A CB -0.539 18.434 19.000 -0.046 0.000 0.823 169 A HN 0.460 nan 8.150 nan 0.000 0.442 170 L N -1.044 120.139 121.223 -0.067 0.000 2.376 170 L HA -0.137 4.202 4.340 -0.000 0.000 0.219 170 L C 2.647 179.474 176.870 -0.072 0.000 1.133 170 L CA 0.657 55.453 54.840 -0.073 0.000 0.816 170 L CB -0.597 41.408 42.059 -0.091 0.000 0.933 170 L HN 0.658 nan 8.230 nan 0.000 0.449 171 C N 0.018 119.275 119.300 -0.072 0.000 2.489 171 C HA -0.115 4.345 4.460 -0.000 0.000 0.279 171 C C 2.704 177.671 174.990 -0.038 0.000 1.266 171 C CA 0.357 59.338 59.018 -0.060 0.000 1.707 171 C CB -0.514 27.190 27.740 -0.061 0.000 2.059 171 C HN 0.474 nan 8.230 nan 0.000 0.481 172 L N 0.957 122.147 121.223 -0.055 0.000 2.013 172 L HA -0.114 4.226 4.340 -0.000 0.000 0.212 172 L C 2.259 179.139 176.870 0.016 0.000 1.073 172 L CA 1.949 56.758 54.840 -0.050 0.000 0.753 172 L CB -1.111 40.868 42.059 -0.133 0.000 0.890 172 L HN 0.393 nan 8.230 nan 0.000 0.432 173 L N -0.361 120.859 121.223 -0.005 0.000 2.013 173 L HA -0.241 4.099 4.340 -0.000 0.000 0.212 173 L C 2.747 179.663 176.870 0.077 0.000 1.073 173 L CA 2.189 57.040 54.840 0.020 0.000 0.753 173 L CB -0.808 41.231 42.059 -0.033 0.000 0.890 173 L HN 0.368 nan 8.230 nan 0.000 0.432 174 R N -0.378 120.142 120.500 0.033 0.000 2.081 174 R HA -0.124 4.215 4.340 -0.000 0.000 0.235 174 R C 2.147 178.482 176.300 0.058 0.000 1.131 174 R CA 1.816 57.937 56.100 0.035 0.000 0.960 174 R CB -0.894 29.405 30.300 -0.001 0.000 0.856 174 R HN 0.499 nan 8.270 nan 0.000 0.436 175 L N -0.660 120.600 121.223 0.062 0.000 2.046 175 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 175 L C 2.276 179.204 176.870 0.096 0.000 1.077 175 L CA 1.768 56.649 54.840 0.068 0.000 0.747 175 L CB -0.713 41.383 42.059 0.062 0.000 0.896 175 L HN 0.263 nan 8.230 nan 0.000 0.432 176 Y N 1.008 121.320 120.300 0.021 0.000 2.224 176 Y HA -0.213 4.337 4.550 -0.000 0.000 0.289 176 Y C 2.703 178.622 175.900 0.030 0.000 1.146 176 Y CA 1.461 59.586 58.100 0.042 0.000 1.182 176 Y CB -0.026 38.468 38.460 0.056 0.000 0.983 176 Y HN 0.009 nan 8.280 nan 0.000 0.524 177 R N -1.247 119.361 120.500 0.181 0.000 2.193 177 R HA -0.039 4.301 4.340 -0.000 0.000 0.213 177 R C 1.907 178.211 176.300 0.006 0.000 1.055 177 R CA 1.379 57.538 56.100 0.098 0.000 0.995 177 R CB -0.218 30.146 30.300 0.107 0.000 0.893 177 R HN 0.282 nan 8.270 nan 0.000 0.459 178 T N -0.117 114.438 114.554 0.003 0.000 2.866 178 T HA 0.039 4.388 4.350 -0.000 0.000 0.250 178 T C 0.595 175.273 174.700 -0.036 0.000 1.033 178 T CA 0.840 62.934 62.100 -0.009 0.000 1.145 178 T CB 0.279 69.153 68.868 0.011 0.000 0.866 178 T HN 0.057 nan 8.240 nan 0.000 0.434 179 S N 1.451 117.119 115.700 -0.053 0.000 2.293 179 S HA 0.324 4.794 4.470 -0.000 0.000 0.154 179 S C -2.358 172.170 174.600 -0.121 0.000 1.602 179 S CA -0.854 57.306 58.200 -0.066 0.000 1.260 179 S CB 1.636 64.820 63.200 -0.027 0.000 1.270 179 S HN 0.129 nan 8.310 nan 0.000 0.416 180 P HA -0.183 nan 4.420 nan 0.000 0.217 180 P C 1.239 178.428 177.300 -0.185 0.000 1.148 180 P CA 1.259 64.106 63.100 -0.421 0.000 0.828 180 P CB 0.025 31.451 31.700 -0.456 0.000 0.783 181 D N 0.150 120.491 120.400 -0.098 0.000 2.104 181 D HA -0.175 4.465 4.640 -0.000 0.000 0.194 181 D C 1.918 178.223 176.300 0.008 0.000 0.994 181 D CA 1.195 55.176 54.000 -0.032 0.000 0.830 181 D CB -1.107 39.679 40.800 -0.024 0.000 0.959 181 D HN 0.235 nan 8.370 nan 0.000 0.452 182 L N 0.618 121.845 121.223 0.007 0.000 2.376 182 L HA -0.014 4.326 4.340 -0.000 0.000 0.219 182 L C 0.586 177.509 176.870 0.087 0.000 1.133 182 L CA 0.247 55.110 54.840 0.038 0.000 0.816 182 L CB 0.208 42.280 42.059 0.022 0.000 0.933 182 L HN -0.132 nan 8.230 nan 0.000 0.449 183 V N 0.815 120.796 119.914 0.111 0.000 2.304 183 V HA 0.216 4.335 4.120 -0.000 0.000 0.262 183 V C -1.768 174.514 176.094 0.314 0.000 1.061 183 V CA -1.497 60.947 62.300 0.241 0.000 0.872 183 V CB -0.025 31.991 31.823 0.321 0.000 1.077 183 V HN 0.041 nan 8.190 nan 0.000 0.480 184 P HA 0.327 nan 4.420 nan 0.000 0.317 184 P C -0.117 177.352 177.300 0.282 0.000 1.316 184 P CA -0.203 63.053 63.100 0.259 0.000 0.744 184 P CB 0.416 32.254 31.700 0.231 0.000 1.521 185 M N -0.776 118.859 119.600 0.058 0.000 2.952 185 M HA 0.315 4.795 4.480 -0.000 0.000 0.259 185 M C 0.485 176.503 176.300 -0.471 0.000 1.306 185 M CA -0.575 54.584 55.300 -0.236 0.000 0.626 185 M CB -0.047 32.465 32.600 -0.147 0.000 1.423 185 M HN 0.307 nan 8.290 nan 0.000 0.459 186 G N 1.533 109.943 108.800 -0.650 0.000 2.393 186 G HA2 0.086 4.045 3.960 -0.000 0.000 0.268 186 G HA3 0.086 4.045 3.960 -0.000 0.000 0.268 186 G C 0.450 174.995 174.900 -0.592 0.000 1.472 186 G CA 0.332 45.136 45.100 -0.494 0.000 1.059 186 G HN 0.619 nan 8.290 nan 0.000 0.555 187 D N -1.755 118.475 120.400 -0.283 0.000 2.348 187 D HA -0.082 4.558 4.640 -0.000 0.000 0.211 187 D C 1.937 178.189 176.300 -0.081 0.000 0.998 187 D CA 0.654 54.566 54.000 -0.146 0.000 0.873 187 D CB -0.309 40.486 40.800 -0.009 0.000 0.925 187 D HN 0.686 nan 8.370 nan 0.000 0.524 188 W N 0.819 122.140 121.300 0.035 0.000 2.595 188 W HA 0.059 4.719 4.660 -0.000 0.000 0.257 188 W C 0.780 177.344 176.519 0.075 0.000 1.267 188 W CA 0.497 57.875 57.345 0.055 0.000 1.300 188 W CB -1.397 28.104 29.460 0.068 0.000 1.120 188 W HN -0.141 nan 8.180 nan 0.000 0.618 189 T N 2.648 117.026 114.554 -0.293 0.000 2.544 189 T HA -0.341 4.009 4.350 -0.000 0.000 0.264 189 T C 2.233 176.936 174.700 0.004 0.000 1.096 189 T CA 3.816 65.787 62.100 -0.216 0.000 1.181 189 T CB -0.736 67.787 68.868 -0.577 0.000 0.864 189 T HN 0.376 nan 8.240 nan 0.000 0.415 190 S N 1.294 116.953 115.700 -0.069 0.000 2.400 190 S HA -0.089 4.380 4.470 -0.000 0.000 0.232 190 S C 1.927 176.587 174.600 0.101 0.000 1.025 190 S CA 0.950 59.150 58.200 -0.001 0.000 0.993 190 S CB -0.406 62.766 63.200 -0.046 0.000 0.808 190 S HN 0.415 nan 8.310 nan 0.000 0.478 191 R N 0.159 120.735 120.500 0.127 0.000 2.313 191 R HA 0.259 4.598 4.340 -0.000 0.000 0.199 191 R C 1.438 177.888 176.300 0.249 0.000 0.958 191 R CA 0.340 56.550 56.100 0.184 0.000 1.047 191 R CB -0.074 30.314 30.300 0.148 0.000 0.955 191 R HN 0.361 nan 8.270 nan 0.000 0.481 192 V N -0.538 119.545 119.914 0.282 0.000 2.492 192 V HA -0.123 3.997 4.120 -0.000 0.000 0.241 192 V C 2.131 178.361 176.094 0.228 0.000 1.041 192 V CA 0.919 63.386 62.300 0.278 0.000 1.057 192 V CB 0.186 32.246 31.823 0.395 0.000 0.711 192 V HN 0.024 nan 8.190 nan 0.000 0.468 193 V N 0.489 120.562 119.914 0.265 0.000 2.324 193 V HA -0.359 3.761 4.120 -0.000 0.000 0.250 193 V C 2.429 178.622 176.094 0.166 0.000 1.060 193 V CA 2.729 65.162 62.300 0.221 0.000 1.042 193 V CB -0.940 31.015 31.823 0.220 0.000 0.650 193 V HN 0.787 nan 8.190 nan 0.000 0.450 194 H N -0.477 118.646 119.070 0.087 0.000 2.518 194 H HA -0.033 4.523 4.556 -0.001 0.000 0.289 194 H C 1.837 177.198 175.328 0.055 0.000 1.051 194 H CA 1.105 57.188 56.048 0.060 0.000 1.280 194 H CB -0.272 29.521 29.762 0.052 0.000 1.380 194 H HN 0.394 nan 8.280 nan 0.000 0.566 195 L N 0.078 121.308 121.223 0.012 0.000 2.549 195 L HA -0.107 4.233 4.340 -0.000 0.000 0.229 195 L C 1.712 178.536 176.870 -0.077 0.000 1.158 195 L CA 0.344 55.156 54.840 -0.047 0.000 0.842 195 L CB -0.151 41.924 42.059 0.027 0.000 0.952 195 L HN 0.414 nan 8.230 nan 0.000 0.452 196 L N -0.555 120.629 121.223 -0.064 0.000 2.376 196 L HA -0.097 4.243 4.340 -0.000 0.000 0.219 196 L C 1.283 178.103 176.870 -0.084 0.000 1.133 196 L CA 0.503 55.313 54.840 -0.049 0.000 0.816 196 L CB -0.293 41.759 42.059 -0.012 0.000 0.933 196 L HN 0.350 nan 8.230 nan 0.000 0.449 197 N N -0.857 117.745 118.700 -0.164 0.000 2.268 197 N HA -0.001 4.739 4.740 -0.000 0.000 0.204 197 N C 0.205 175.624 175.510 -0.152 0.000 1.124 197 N CA 0.145 53.097 53.050 -0.162 0.000 0.838 197 N CB -0.025 38.335 38.487 -0.211 0.000 0.994 197 N HN 0.243 nan 8.380 nan 0.000 0.489 198 D N 0.892 121.213 120.400 -0.132 0.000 2.423 198 D HA -0.066 4.574 4.640 -0.000 0.000 0.238 198 D C 0.975 177.263 176.300 -0.019 0.000 1.142 198 D CA 0.184 54.143 54.000 -0.068 0.000 0.884 198 D CB 1.407 42.189 40.800 -0.031 0.000 1.199 198 D HN 0.123 nan 8.370 nan 0.000 0.438 199 Q N 2.062 121.870 119.800 0.013 0.000 2.077 199 Q HA -0.233 4.107 4.340 -0.000 0.000 0.206 199 Q C 0.340 176.366 176.000 0.042 0.000 0.989 199 Q CA 1.268 57.087 55.803 0.027 0.000 0.853 199 Q CB -0.066 28.700 28.738 0.046 0.000 0.907 199 Q HN 0.565 nan 8.270 nan 0.000 0.418 200 H N 0.162 119.220 119.070 -0.020 0.000 2.955 200 H HA 0.047 4.602 4.556 -0.000 0.000 0.290 200 H C 0.919 176.185 175.328 -0.102 0.000 1.047 200 H CA -0.245 55.795 56.048 -0.014 0.000 1.484 200 H CB 0.467 30.239 29.762 0.017 0.000 1.501 200 H HN 0.220 nan 8.280 nan 0.000 0.521 201 L N 3.834 124.908 121.223 -0.249 0.000 2.362 201 L HA -0.049 4.291 4.340 -0.000 0.000 0.219 201 L C 2.388 179.096 176.870 -0.271 0.000 1.134 201 L CA 1.002 55.577 54.840 -0.441 0.000 0.807 201 L CB -0.343 41.121 42.059 -0.993 0.000 0.927 201 L HN 0.880 nan 8.230 nan 0.000 0.447 202 G N -0.543 108.392 108.800 0.226 0.000 2.421 202 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.217 202 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.217 202 G C 1.603 176.597 174.900 0.155 0.000 1.143 202 G CA 0.449 45.757 45.100 0.347 0.000 0.784 202 G HN 0.145 nan 8.290 nan 0.000 0.541 203 V N 0.681 120.682 119.914 0.146 0.000 2.244 203 V HA -0.177 3.943 4.120 -0.000 0.000 0.244 203 V C 3.023 179.114 176.094 -0.004 0.000 1.042 203 V CA 1.595 63.885 62.300 -0.016 0.000 1.006 203 V CB -0.508 31.287 31.823 -0.047 0.000 0.641 203 V HN 0.233 nan 8.190 nan 0.000 0.446 204 V N -0.142 119.768 119.914 -0.006 0.000 2.278 204 V HA -0.364 3.756 4.120 -0.000 0.000 0.251 204 V C 2.547 178.626 176.094 -0.026 0.000 1.062 204 V CA 2.798 65.080 62.300 -0.031 0.000 1.038 204 V CB -1.253 30.535 31.823 -0.059 0.000 0.646 204 V HN 0.627 nan 8.190 nan 0.000 0.447 205 T N 0.013 114.553 114.554 -0.024 0.000 2.684 205 T HA -0.201 4.149 4.350 -0.000 0.000 0.267 205 T C 2.038 176.735 174.700 -0.006 0.000 1.036 205 T CA 1.859 63.957 62.100 -0.003 0.000 1.148 205 T CB -0.457 68.426 68.868 0.024 0.000 0.863 205 T HN 0.621 nan 8.240 nan 0.000 0.436 206 A N 1.472 124.287 122.820 -0.009 0.000 1.858 206 A HA 0.154 4.474 4.320 -0.000 0.000 0.216 206 A C 2.683 180.249 177.584 -0.031 0.000 1.190 206 A CA 1.957 53.979 52.037 -0.024 0.000 0.617 206 A CB -1.308 17.674 19.000 -0.030 0.000 0.827 206 A HN 0.508 nan 8.150 nan 0.000 0.443 207 A N -1.123 121.683 122.820 -0.023 0.000 1.958 207 A HA -0.175 4.144 4.320 -0.000 0.000 0.221 207 A C 2.288 179.852 177.584 -0.033 0.000 1.178 207 A CA 2.553 54.580 52.037 -0.017 0.000 0.642 207 A CB -1.350 17.651 19.000 0.002 0.000 0.816 207 A HN 0.457 nan 8.150 nan 0.000 0.453 208 T N -0.129 114.406 114.554 -0.030 0.000 2.777 208 T HA -0.087 4.263 4.350 -0.000 0.000 0.266 208 T C 2.276 176.941 174.700 -0.059 0.000 1.040 208 T CA 1.604 63.683 62.100 -0.036 0.000 1.141 208 T CB -0.289 68.568 68.868 -0.018 0.000 0.868 208 T HN 0.574 nan 8.240 nan 0.000 0.444 209 S N 1.555 117.223 115.700 -0.053 0.000 2.370 209 S HA -0.065 4.405 4.470 -0.000 0.000 0.226 209 S C 1.926 176.462 174.600 -0.106 0.000 1.033 209 S CA 0.784 58.944 58.200 -0.066 0.000 1.011 209 S CB -0.514 62.656 63.200 -0.051 0.000 0.852 209 S HN 0.254 nan 8.310 nan 0.000 0.457 210 L N 1.751 122.907 121.223 -0.111 0.000 2.017 210 L HA 0.072 4.412 4.340 -0.000 0.000 0.208 210 L C 1.979 178.688 176.870 -0.268 0.000 1.073 210 L CA 1.559 56.305 54.840 -0.156 0.000 0.745 210 L CB -0.505 41.493 42.059 -0.100 0.000 0.894 210 L HN 0.257 nan 8.230 nan 0.000 0.432 211 I N -1.074 119.346 120.570 -0.250 0.000 2.454 211 I HA -0.269 3.901 4.170 -0.000 0.000 0.254 211 I C 1.999 177.882 176.117 -0.389 0.000 1.156 211 I CA 1.448 62.501 61.300 -0.413 0.000 1.433 211 I CB -0.415 37.464 38.000 -0.201 0.000 1.082 211 I HN 0.296 nan 8.210 nan 0.000 0.432 212 T N -0.580 113.836 114.554 -0.230 0.000 2.904 212 T HA -0.100 4.249 4.350 -0.000 0.000 0.267 212 T C 1.845 176.421 174.700 -0.207 0.000 1.059 212 T CA 1.634 63.627 62.100 -0.178 0.000 1.137 212 T CB -0.128 68.674 68.868 -0.110 0.000 0.879 212 T HN 0.320 nan 8.240 nan 0.000 0.467 213 T N 2.092 116.502 114.554 -0.240 0.000 3.014 213 T HA 0.224 4.573 4.350 -0.000 0.000 0.263 213 T C 1.895 176.372 174.700 -0.372 0.000 1.078 213 T CA 0.445 62.404 62.100 -0.235 0.000 1.135 213 T CB -0.138 68.613 68.868 -0.196 0.000 0.895 213 T HN 0.250 nan 8.240 nan 0.000 0.480 214 L N 0.801 121.704 121.223 -0.533 0.000 2.131 214 L HA 0.122 4.461 4.340 -0.000 0.000 0.206 214 L C 2.905 179.638 176.870 -0.228 0.000 1.087 214 L CA 0.872 55.389 54.840 -0.540 0.000 0.767 214 L CB -0.626 41.008 42.059 -0.708 0.000 0.917 214 L HN 0.208 nan 8.230 nan 0.000 0.441 215 A N -0.676 121.961 122.820 -0.305 0.000 2.216 215 A HA -0.150 4.169 4.320 -0.000 0.000 0.214 215 A C 2.059 179.592 177.584 -0.085 0.000 1.160 215 A CA 0.934 52.937 52.037 -0.057 0.000 0.725 215 A CB -0.299 18.637 19.000 -0.106 0.000 0.784 215 A HN 0.491 nan 8.150 nan 0.000 0.472 216 Q N -1.003 118.749 119.800 -0.079 0.000 2.424 216 Q HA 0.066 4.406 4.340 -0.000 0.000 0.204 216 Q C 0.669 176.682 176.000 0.022 0.000 0.933 216 Q CA 0.741 56.513 55.803 -0.051 0.000 0.929 216 Q CB 0.209 28.922 28.738 -0.042 0.000 1.037 216 Q HN 0.636 nan 8.270 nan 0.000 0.511 217 K N -0.416 120.032 120.400 0.080 0.000 2.553 217 K HA 0.200 4.520 4.320 -0.000 0.000 0.205 217 K C -0.083 176.603 176.600 0.143 0.000 1.168 217 K CA -0.013 56.343 56.287 0.116 0.000 1.043 217 K CB 0.980 33.578 32.500 0.163 0.000 0.967 217 K HN -0.045 nan 8.250 nan 0.000 0.585 218 N N 0.920 119.721 118.700 0.167 0.000 2.598 218 N HA 0.114 4.854 4.740 -0.000 0.000 0.295 218 N C -2.554 173.114 175.510 0.263 0.000 1.729 218 N CA -0.859 52.322 53.050 0.217 0.000 0.877 218 N CB 1.345 40.033 38.487 0.336 0.000 1.405 218 N HN -0.100 nan 8.380 nan 0.000 0.491 219 P HA -0.110 nan 4.420 nan 0.000 0.218 219 P C 1.303 178.796 177.300 0.322 0.000 1.148 219 P CA 1.304 64.526 63.100 0.204 0.000 0.822 219 P CB 0.528 32.278 31.700 0.083 0.000 0.784 220 E N -0.442 119.861 120.200 0.173 0.000 2.152 220 E HA -0.168 4.182 4.350 -0.000 0.000 0.192 220 E C 1.950 178.554 176.600 0.005 0.000 0.983 220 E CA 0.920 57.380 56.400 0.099 0.000 0.818 220 E CB -0.521 29.206 29.700 0.044 0.000 0.758 220 E HN 0.361 nan 8.360 nan 0.000 0.467 221 E N -0.602 119.542 120.200 -0.092 0.000 2.204 221 E HA -0.088 4.262 4.350 -0.000 0.000 0.194 221 E C 0.795 177.073 176.600 -0.536 0.000 0.989 221 E CA 0.804 56.949 56.400 -0.425 0.000 0.824 221 E CB 0.001 29.259 29.700 -0.737 0.000 0.756 221 E HN 0.185 nan 8.360 nan 0.000 0.477 222 F N -0.748 119.257 119.950 0.092 0.000 2.682 222 F HA 0.290 4.816 4.527 -0.001 0.000 0.308 222 F C 1.638 177.481 175.800 0.072 0.000 1.093 222 F CA -0.387 57.681 58.000 0.113 0.000 1.244 222 F CB 0.318 39.417 39.000 0.165 0.000 1.052 222 F HN -0.141 nan 8.300 nan 0.000 0.573 223 K N 0.753 121.224 120.400 0.118 0.000 2.228 223 K HA -0.189 4.130 4.320 -0.000 0.000 0.205 223 K C 1.382 177.838 176.600 -0.241 0.000 1.045 223 K CA 1.907 58.039 56.287 -0.258 0.000 0.931 223 K CB -0.246 32.196 32.500 -0.097 0.000 0.727 223 K HN 0.237 nan 8.250 nan 0.000 0.458 224 T N -0.092 114.411 114.554 -0.085 0.000 2.977 224 T HA -0.121 4.229 4.350 -0.000 0.000 0.271 224 T C 1.816 176.498 174.700 -0.030 0.000 1.105 224 T CA 1.315 63.383 62.100 -0.053 0.000 1.116 224 T CB -0.222 68.635 68.868 -0.018 0.000 0.878 224 T HN 0.400 nan 8.240 nan 0.000 0.509 225 S N 0.820 116.511 115.700 -0.014 0.000 2.461 225 S HA 0.006 4.476 4.470 -0.000 0.000 0.228 225 S C 2.030 176.614 174.600 -0.028 0.000 1.005 225 S CA 0.215 58.434 58.200 0.032 0.000 0.942 225 S CB -0.672 62.609 63.200 0.135 0.000 0.776 225 S HN 0.307 nan 8.310 nan 0.000 0.514 226 V N 2.457 122.286 119.914 -0.141 0.000 2.237 226 V HA -0.180 3.940 4.120 -0.000 0.000 0.245 226 V C 3.048 179.111 176.094 -0.053 0.000 1.046 226 V CA 2.109 64.339 62.300 -0.116 0.000 1.007 226 V CB -1.430 30.258 31.823 -0.226 0.000 0.638 226 V HN 0.739 nan 8.190 nan 0.000 0.445 227 S N -0.256 115.407 115.700 -0.061 0.000 2.399 227 S HA -0.273 4.197 4.470 -0.000 0.000 0.235 227 S C 1.868 176.461 174.600 -0.011 0.000 1.063 227 S CA 2.464 60.646 58.200 -0.030 0.000 1.070 227 S CB -0.435 62.747 63.200 -0.030 0.000 0.904 227 S HN 0.500 nan 8.310 nan 0.000 0.456 228 L N 0.753 121.973 121.223 -0.005 0.000 2.084 228 L HA 0.171 4.511 4.340 -0.000 0.000 0.202 228 L C 3.147 180.019 176.870 0.003 0.000 1.074 228 L CA 0.905 55.748 54.840 0.004 0.000 0.757 228 L CB -0.959 41.108 42.059 0.013 0.000 0.918 228 L HN 0.416 nan 8.230 nan 0.000 0.444 229 A N -0.054 122.771 122.820 0.007 0.000 1.997 229 A HA -0.183 4.136 4.320 -0.000 0.000 0.221 229 A C 2.346 179.935 177.584 0.009 0.000 1.172 229 A CA 2.053 54.097 52.037 0.011 0.000 0.645 229 A CB -0.869 18.146 19.000 0.025 0.000 0.813 229 A HN 0.222 nan 8.150 nan 0.000 0.454 230 V N -0.786 119.134 119.914 0.009 0.000 2.323 230 V HA -0.172 3.948 4.120 -0.000 0.000 0.244 230 V C 2.765 178.863 176.094 0.006 0.000 1.041 230 V CA 2.159 64.466 62.300 0.011 0.000 1.025 230 V CB -0.689 31.142 31.823 0.013 0.000 0.656 230 V HN 0.570 nan 8.190 nan 0.000 0.451 231 S N -0.424 115.278 115.700 0.003 0.000 2.374 231 S HA -0.213 4.256 4.470 -0.000 0.000 0.227 231 S C 2.154 176.754 174.600 -0.000 0.000 1.037 231 S CA 1.363 59.564 58.200 0.002 0.000 1.024 231 S CB -0.293 62.908 63.200 0.002 0.000 0.861 231 S HN 0.385 nan 8.310 nan 0.000 0.456 232 R N 0.738 121.235 120.500 -0.003 0.000 2.061 232 R HA 0.095 4.434 4.340 -0.000 0.000 0.230 232 R C 2.327 178.624 176.300 -0.004 0.000 1.140 232 R CA 0.882 56.977 56.100 -0.008 0.000 0.940 232 R CB -1.472 28.819 30.300 -0.015 0.000 0.839 232 R HN 0.357 nan 8.270 nan 0.000 0.429 233 L N 1.140 122.362 121.223 -0.002 0.000 2.051 233 L HA -0.219 4.120 4.340 -0.000 0.000 0.214 233 L C 2.342 179.214 176.870 0.003 0.000 1.076 233 L CA 1.757 56.597 54.840 -0.000 0.000 0.758 233 L CB -0.604 41.456 42.059 0.001 0.000 0.890 233 L HN 0.099 nan 8.230 nan 0.000 0.433 234 S N -0.934 114.769 115.700 0.005 0.000 2.348 234 S HA -0.195 4.275 4.470 -0.000 0.000 0.221 234 S C 2.036 176.641 174.600 0.008 0.000 1.033 234 S CA 1.463 59.667 58.200 0.006 0.000 1.010 234 S CB -0.194 63.010 63.200 0.006 0.000 0.891 234 S HN 0.435 nan 8.310 nan 0.000 0.442 235 R N 0.262 120.766 120.500 0.006 0.000 2.152 235 R HA 0.029 4.368 4.340 -0.000 0.000 0.232 235 R C 2.110 178.417 176.300 0.013 0.000 1.117 235 R CA 1.096 57.201 56.100 0.008 0.000 0.981 235 R CB -0.319 29.984 30.300 0.005 0.000 0.870 235 R HN 0.436 nan 8.270 nan 0.000 0.451 236 I N 0.132 120.708 120.570 0.011 0.000 2.162 236 I HA -0.199 3.970 4.170 -0.000 0.000 0.238 236 I C 1.947 178.080 176.117 0.027 0.000 1.076 236 I CA 1.125 62.435 61.300 0.018 0.000 1.353 236 I CB -0.179 37.827 38.000 0.011 0.000 1.063 236 I HN 0.046 nan 8.210 nan 0.000 0.408 237 V N -1.561 118.365 119.914 0.019 0.000 3.592 237 V HA -0.020 4.099 4.120 -0.000 0.000 0.272 237 V C 1.685 177.792 176.094 0.022 0.000 1.228 237 V CA 1.166 63.479 62.300 0.021 0.000 1.173 237 V CB -1.757 30.073 31.823 0.011 0.000 0.873 237 V HN 0.552 nan 8.190 nan 0.000 0.476 238 T N -1.185 113.382 114.554 0.022 0.000 3.246 238 T HA 0.122 4.472 4.350 -0.000 0.000 0.231 238 T C 1.100 175.817 174.700 0.028 0.000 0.986 238 T CA 0.740 62.853 62.100 0.022 0.000 1.340 238 T CB -0.926 67.952 68.868 0.016 0.000 1.063 238 T HN 0.706 nan 8.240 nan 0.000 0.427 239 S N 2.690 118.408 115.700 0.030 0.000 2.626 239 S HA 0.490 4.959 4.470 -0.000 0.000 0.303 239 S C 0.907 175.537 174.600 0.049 0.000 1.256 239 S CA -0.478 57.743 58.200 0.035 0.000 1.069 239 S CB 0.139 63.359 63.200 0.034 0.000 0.807 239 S HN 0.847 nan 8.310 nan 0.000 0.500 240 A N 3.911 126.760 122.820 0.049 0.000 3.188 240 A HA 0.303 4.623 4.320 -0.000 0.000 0.158 240 A C 1.946 179.585 177.584 0.091 0.000 1.832 240 A CA 0.551 52.625 52.037 0.061 0.000 1.046 240 A CB -1.020 18.005 19.000 0.042 0.000 1.770 240 A HN 0.811 nan 8.150 nan 0.000 0.817 241 S N -1.095 114.666 115.700 0.102 0.000 2.470 241 S HA -0.032 4.438 4.470 -0.000 0.000 0.222 241 S C 1.991 176.661 174.600 0.117 0.000 1.024 241 S CA 1.227 59.517 58.200 0.150 0.000 0.931 241 S CB -0.354 62.976 63.200 0.217 0.000 0.791 241 S HN 0.894 nan 8.310 nan 0.000 0.513 242 T N 0.757 115.361 114.554 0.083 0.000 2.857 242 T HA -0.018 4.331 4.350 -0.000 0.000 0.266 242 T C 0.639 175.376 174.700 0.061 0.000 1.048 242 T CA 0.669 62.808 62.100 0.065 0.000 1.139 242 T CB -0.411 68.485 68.868 0.047 0.000 0.874 242 T HN 0.137 nan 8.240 nan 0.000 0.455 243 D N 1.754 122.191 120.400 0.061 0.000 2.314 243 D HA 0.187 4.827 4.640 -0.000 0.000 0.252 243 D C 0.977 177.322 176.300 0.076 0.000 1.295 243 D CA -0.480 53.555 54.000 0.058 0.000 0.995 243 D CB -0.023 40.807 40.800 0.051 0.000 1.125 243 D HN 0.327 nan 8.370 nan 0.000 0.537 244 L N -0.121 121.149 121.223 0.078 0.000 4.173 244 L HA -0.312 4.028 4.340 -0.000 0.000 0.475 244 L C 1.617 178.566 176.870 0.132 0.000 1.115 244 L CA 0.175 55.083 54.840 0.113 0.000 0.702 244 L CB -1.469 40.664 42.059 0.123 0.000 1.615 244 L HN 0.390 nan 8.230 nan 0.000 0.803 245 Q N 0.775 120.631 119.800 0.095 0.000 1.935 245 Q HA -0.245 4.095 4.340 -0.000 0.000 0.212 245 Q C 1.535 177.572 176.000 0.062 0.000 1.008 245 Q CA 2.509 58.354 55.803 0.071 0.000 0.868 245 Q CB 0.027 28.791 28.738 0.043 0.000 0.946 245 Q HN 0.694 nan 8.270 nan 0.000 0.418 246 D N -0.692 119.726 120.400 0.030 0.000 2.190 246 D HA -0.175 4.465 4.640 -0.000 0.000 0.200 246 D C 1.417 177.616 176.300 -0.168 0.000 0.992 246 D CA 1.360 55.303 54.000 -0.096 0.000 0.854 246 D CB -0.250 40.437 40.800 -0.189 0.000 0.936 246 D HN 0.374 nan 8.370 nan 0.000 0.462 247 Y N 0.304 120.638 120.300 0.055 0.000 2.466 247 Y HA 0.120 4.670 4.550 -0.000 0.000 0.272 247 Y C 0.745 176.738 175.900 0.155 0.000 1.169 247 Y CA 0.153 58.311 58.100 0.098 0.000 1.285 247 Y CB 0.311 38.812 38.460 0.068 0.000 1.078 247 Y HN -0.269 nan 8.280 nan 0.000 0.523 248 T N 0.939 115.632 114.554 0.233 0.000 2.851 248 T HA 0.058 4.407 4.350 -0.000 0.000 0.298 248 T C -1.224 173.631 174.700 0.257 0.000 0.977 248 T CA 0.013 62.251 62.100 0.229 0.000 1.126 248 T CB 0.210 69.183 68.868 0.175 0.000 0.916 248 T HN 0.145 nan 8.240 nan 0.000 0.529 249 Y N 3.740 124.136 120.300 0.160 0.000 2.363 249 Y HA 0.335 4.885 4.550 -0.001 0.000 0.325 249 Y C -0.707 175.345 175.900 0.253 0.000 0.984 249 Y CA -1.160 57.057 58.100 0.194 0.000 1.248 249 Y CB 0.324 38.906 38.460 0.204 0.000 1.116 249 Y HN 0.677 nan 8.280 nan 0.000 0.470 250 Y N 6.731 126.786 120.300 -0.409 0.000 3.305 250 Y HA -0.365 4.185 4.550 -0.000 0.000 0.212 250 Y C 0.422 176.316 175.900 -0.009 0.000 1.248 250 Y CA 1.277 59.132 58.100 -0.408 0.000 1.359 250 Y CB -2.639 35.593 38.460 -0.380 0.000 1.407 250 Y HN 0.926 nan 8.280 nan 0.000 0.572 251 F N -4.418 115.671 119.950 0.232 0.000 2.628 251 F HA -0.270 4.257 4.527 -0.000 0.000 0.319 251 F C 0.148 176.091 175.800 0.238 0.000 0.645 251 F CA 0.301 58.424 58.000 0.206 0.000 1.499 251 F CB -1.442 37.653 39.000 0.158 0.000 1.900 251 F HN -0.101 nan 8.300 nan 0.000 0.308 252 V N 1.721 121.849 119.914 0.357 0.000 2.357 252 V HA 0.370 4.489 4.120 -0.000 0.000 0.284 252 V C -1.925 174.277 176.094 0.180 0.000 1.018 252 V CA -1.655 60.770 62.300 0.209 0.000 0.841 252 V CB 1.529 33.411 31.823 0.098 0.000 0.991 252 V HN -0.180 nan 8.190 nan 0.000 0.437 253 P HA 0.227 nan 4.420 nan 0.000 0.281 253 P C 0.260 177.629 177.300 0.116 0.000 1.286 253 P CA 0.344 63.528 63.100 0.141 0.000 0.772 253 P CB 1.147 32.913 31.700 0.112 0.000 0.862 254 A N 5.281 128.212 122.820 0.184 0.000 2.364 254 A HA -0.162 4.158 4.320 -0.000 0.000 0.288 254 A C -1.271 176.360 177.584 0.078 0.000 1.433 254 A CA 0.155 52.308 52.037 0.193 0.000 0.757 254 A CB -2.212 16.859 19.000 0.118 0.000 1.098 254 A HN 0.407 nan 8.150 nan 0.000 0.380 255 P HA -0.180 nan 4.420 nan 0.000 0.215 255 P C 1.618 178.755 177.300 -0.271 0.000 1.157 255 P CA 1.593 64.520 63.100 -0.289 0.000 0.874 255 P CB -0.096 31.176 31.700 -0.712 0.000 0.790 256 W N -0.739 120.539 121.300 -0.036 0.000 2.379 256 W HA -0.050 4.610 4.660 -0.000 0.000 0.307 256 W C 2.104 178.607 176.519 -0.028 0.000 1.200 256 W CA 0.477 57.796 57.345 -0.043 0.000 1.297 256 W CB -1.320 28.109 29.460 -0.053 0.000 1.140 256 W HN -0.047 nan 8.180 nan 0.000 0.507 257 L N 0.955 122.288 121.223 0.183 0.000 2.093 257 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 257 L C 2.366 179.253 176.870 0.028 0.000 1.085 257 L CA 2.020 56.904 54.840 0.073 0.000 0.755 257 L CB -0.986 41.082 42.059 0.014 0.000 0.904 257 L HN -0.292 nan 8.230 nan 0.000 0.435 258 S N -0.698 115.008 115.700 0.011 0.000 2.365 258 S HA -0.210 4.260 4.470 -0.000 0.000 0.221 258 S C 1.937 176.526 174.600 -0.017 0.000 1.037 258 S CA 1.738 59.930 58.200 -0.013 0.000 1.060 258 S CB -0.664 62.516 63.200 -0.033 0.000 0.974 258 S HN 0.361 nan 8.310 nan 0.000 0.427 259 V N 2.020 121.915 119.914 -0.032 0.000 2.392 259 V HA -0.222 3.897 4.120 -0.000 0.000 0.249 259 V C 2.315 178.408 176.094 -0.002 0.000 1.059 259 V CA 1.691 63.975 62.300 -0.027 0.000 1.051 259 V CB -0.572 31.220 31.823 -0.052 0.000 0.658 259 V HN 0.417 nan 8.190 nan 0.000 0.455 260 K N -0.543 119.868 120.400 0.019 0.000 2.057 260 K HA -0.053 4.266 4.320 -0.000 0.000 0.206 260 K C 2.126 178.725 176.600 -0.002 0.000 1.050 260 K CA 1.153 57.449 56.287 0.015 0.000 0.935 260 K CB -0.224 32.294 32.500 0.031 0.000 0.715 260 K HN 0.361 nan 8.250 nan 0.000 0.439 261 L N 0.865 122.087 121.223 -0.001 0.000 2.083 261 L HA -0.186 4.154 4.340 -0.000 0.000 0.209 261 L C 2.284 179.149 176.870 -0.008 0.000 1.083 261 L CA 1.097 55.936 54.840 -0.002 0.000 0.752 261 L CB -0.321 41.737 42.059 -0.002 0.000 0.899 261 L HN 0.208 nan 8.230 nan 0.000 0.433 262 L N -0.897 120.314 121.223 -0.019 0.000 2.109 262 L HA -0.165 4.175 4.340 -0.000 0.000 0.207 262 L C 2.719 179.553 176.870 -0.059 0.000 1.086 262 L CA 0.651 55.469 54.840 -0.037 0.000 0.760 262 L CB -0.345 41.694 42.059 -0.034 0.000 0.910 262 L HN 0.161 nan 8.230 nan 0.000 0.437 263 R N 0.518 120.991 120.500 -0.046 0.000 2.081 263 R HA -0.189 4.151 4.340 -0.000 0.000 0.235 263 R C 2.133 178.392 176.300 -0.069 0.000 1.131 263 R CA 1.441 57.505 56.100 -0.061 0.000 0.960 263 R CB -0.635 29.642 30.300 -0.038 0.000 0.856 263 R HN 0.190 nan 8.270 nan 0.000 0.436 264 L N 0.160 121.363 121.223 -0.033 0.000 2.083 264 L HA -0.059 4.281 4.340 -0.000 0.000 0.209 264 L C 1.749 178.651 176.870 0.054 0.000 1.083 264 L CA 1.701 56.542 54.840 0.001 0.000 0.752 264 L CB -0.321 41.755 42.059 0.029 0.000 0.899 264 L HN 0.283 nan 8.230 nan 0.000 0.433 265 L N -1.014 120.227 121.223 0.029 0.000 2.362 265 L HA -0.159 4.180 4.340 -0.000 0.000 0.219 265 L C 2.325 179.189 176.870 -0.009 0.000 1.134 265 L CA 0.789 55.671 54.840 0.070 0.000 0.807 265 L CB -0.366 41.711 42.059 0.029 0.000 0.927 265 L HN 0.442 nan 8.230 nan 0.000 0.447 266 Q N -1.506 118.181 119.800 -0.189 0.000 2.435 266 Q HA -0.086 4.253 4.340 -0.000 0.000 0.207 266 Q C 2.083 177.861 176.000 -0.370 0.000 0.956 266 Q CA 0.540 56.037 55.803 -0.510 0.000 0.917 266 Q CB 0.064 28.471 28.738 -0.552 0.000 0.997 266 Q HN 0.540 nan 8.270 nan 0.000 0.497 267 C N 0.036 119.228 119.300 -0.179 0.000 2.539 267 C HA 0.081 4.541 4.460 -0.000 0.000 0.271 267 C C 0.428 175.177 174.990 -0.403 0.000 1.412 267 C CA 0.078 58.926 59.018 -0.283 0.000 1.729 267 C CB -1.095 26.417 27.740 -0.380 0.000 1.739 267 C HN 0.323 nan 8.230 nan 0.000 0.570 268 Y N -0.534 119.809 120.300 0.071 0.000 2.638 268 Y HA 0.488 5.038 4.550 -0.000 0.000 0.339 268 Y C -2.391 173.652 175.900 0.238 0.000 1.084 268 Y CA -2.316 55.863 58.100 0.131 0.000 1.068 268 Y CB 0.948 39.469 38.460 0.102 0.000 1.294 268 Y HN -0.190 nan 8.280 nan 0.000 0.480 269 P HA 0.306 nan 4.420 nan 0.000 0.281 269 P C -2.762 174.546 177.300 0.014 0.000 1.281 269 P CA -1.862 61.366 63.100 0.213 0.000 0.811 269 P CB 0.151 31.921 31.700 0.118 0.000 1.154 270 P HA 0.099 nan 4.420 nan 0.000 0.265 270 P C -2.286 174.910 177.300 -0.174 0.000 1.187 270 P CA -0.520 62.208 63.100 -0.619 0.000 0.766 270 P CB -1.377 29.991 31.700 -0.553 0.000 0.820 271 P HA -0.125 nan 4.420 nan 0.000 0.259 271 P C 1.078 178.344 177.300 -0.056 0.000 1.163 271 P CA 0.639 63.713 63.100 -0.044 0.000 0.760 271 P CB 0.276 31.963 31.700 -0.022 0.000 0.762 272 E N 2.043 122.214 120.200 -0.049 0.000 2.153 272 E HA -0.175 4.175 4.350 -0.000 0.000 0.194 272 E C 0.459 177.036 176.600 -0.038 0.000 0.988 272 E CA 1.146 57.522 56.400 -0.041 0.000 0.811 272 E CB -0.572 29.108 29.700 -0.033 0.000 0.746 272 E HN 0.419 nan 8.360 nan 0.000 0.466 273 D N 1.768 122.146 120.400 -0.037 0.000 2.295 273 D HA 0.107 4.746 4.640 -0.000 0.000 0.248 273 D C -1.792 174.491 176.300 -0.028 0.000 1.154 273 D CA -2.717 51.264 54.000 -0.030 0.000 0.857 273 D CB 1.617 42.400 40.800 -0.028 0.000 1.117 273 D HN -0.313 nan 8.370 nan 0.000 0.468 274 P HA -0.299 nan 4.420 nan 0.000 0.221 274 P C 1.001 178.290 177.300 -0.018 0.000 1.160 274 P CA 2.746 65.832 63.100 -0.024 0.000 0.933 274 P CB 0.063 31.751 31.700 -0.021 0.000 0.793 275 A N -1.103 121.708 122.820 -0.015 0.000 1.892 275 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 275 A C 2.396 179.975 177.584 -0.009 0.000 1.188 275 A CA 2.458 54.488 52.037 -0.011 0.000 0.631 275 A CB -1.729 17.265 19.000 -0.009 0.000 0.822 275 A HN 0.080 nan 8.150 nan 0.000 0.447 276 V N -0.176 119.731 119.914 -0.012 0.000 2.343 276 V HA -0.249 3.871 4.120 -0.000 0.000 0.247 276 V C 2.634 178.725 176.094 -0.004 0.000 1.051 276 V CA 2.239 64.534 62.300 -0.009 0.000 1.036 276 V CB -0.816 30.997 31.823 -0.016 0.000 0.654 276 V HN 0.609 nan 8.190 nan 0.000 0.451 277 R N 0.036 120.528 120.500 -0.012 0.000 2.127 277 R HA -0.146 4.194 4.340 -0.000 0.000 0.238 277 R C 2.309 178.608 176.300 -0.002 0.000 1.134 277 R CA 1.588 57.681 56.100 -0.012 0.000 0.975 277 R CB -0.636 29.643 30.300 -0.035 0.000 0.865 277 R HN 0.587 nan 8.270 nan 0.000 0.447 278 G N 0.249 109.046 108.800 -0.006 0.000 2.464 278 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.214 278 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.214 278 G C 1.440 176.343 174.900 0.004 0.000 1.218 278 G CA 0.634 45.733 45.100 -0.002 0.000 0.794 278 G HN 0.281 nan 8.290 nan 0.000 0.542 279 R N -0.231 120.271 120.500 0.004 0.000 2.091 279 R HA -0.077 4.262 4.340 -0.000 0.000 0.238 279 R C 2.588 178.895 176.300 0.013 0.000 1.136 279 R CA 1.596 57.700 56.100 0.007 0.000 0.959 279 R CB -0.447 29.856 30.300 0.005 0.000 0.856 279 R HN 0.375 nan 8.270 nan 0.000 0.437 280 L N 0.064 121.299 121.223 0.020 0.000 2.079 280 L HA -0.151 4.189 4.340 -0.000 0.000 0.210 280 L C 1.892 178.783 176.870 0.035 0.000 1.081 280 L CA 2.099 56.959 54.840 0.034 0.000 0.752 280 L CB -0.538 41.556 42.059 0.059 0.000 0.896 280 L HN 0.072 nan 8.230 nan 0.000 0.433 281 T N -0.866 113.706 114.554 0.030 0.000 3.014 281 T HA -0.051 4.299 4.350 -0.000 0.000 0.263 281 T C 1.627 176.337 174.700 0.016 0.000 1.078 281 T CA 1.104 63.221 62.100 0.028 0.000 1.135 281 T CB -0.068 68.814 68.868 0.024 0.000 0.895 281 T HN 0.472 nan 8.240 nan 0.000 0.480 282 E N 0.184 120.391 120.200 0.011 0.000 2.150 282 E HA -0.114 4.236 4.350 -0.000 0.000 0.193 282 E C 2.392 178.996 176.600 0.006 0.000 0.985 282 E CA 0.903 57.307 56.400 0.006 0.000 0.814 282 E CB -0.195 29.508 29.700 0.005 0.000 0.752 282 E HN 0.460 nan 8.360 nan 0.000 0.466 283 C N 0.427 119.733 119.300 0.009 0.000 2.457 283 C HA -0.034 4.426 4.460 -0.000 0.000 0.278 283 C C 2.412 177.404 174.990 0.003 0.000 1.309 283 C CA 0.443 59.465 59.018 0.006 0.000 1.735 283 C CB -0.819 26.926 27.740 0.009 0.000 1.992 283 C HN 0.322 nan 8.230 nan 0.000 0.493 284 L N 0.639 121.865 121.223 0.005 0.000 2.109 284 L HA -0.029 4.311 4.340 -0.000 0.000 0.207 284 L C 2.837 179.702 176.870 -0.008 0.000 1.086 284 L CA 1.327 56.165 54.840 -0.002 0.000 0.760 284 L CB -0.794 41.268 42.059 0.005 0.000 0.910 284 L HN 0.300 nan 8.230 nan 0.000 0.437 285 E N -0.094 120.104 120.200 -0.003 0.000 2.086 285 E HA -0.241 4.108 4.350 -0.000 0.000 0.200 285 E C 2.157 178.751 176.600 -0.010 0.000 1.012 285 E CA 2.103 58.499 56.400 -0.006 0.000 0.812 285 E CB -0.242 29.457 29.700 -0.002 0.000 0.743 285 E HN 0.447 nan 8.360 nan 0.000 0.453 286 T N 1.434 115.984 114.554 -0.006 0.000 2.668 286 T HA -0.070 4.280 4.350 -0.000 0.000 0.262 286 T C 2.103 176.797 174.700 -0.010 0.000 1.045 286 T CA 0.826 62.923 62.100 -0.005 0.000 1.152 286 T CB -0.257 68.611 68.868 0.000 0.000 0.864 286 T HN 0.117 nan 8.240 nan 0.000 0.419 287 I N 1.014 121.577 120.570 -0.012 0.000 2.143 287 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 287 I C 2.253 178.351 176.117 -0.031 0.000 1.068 287 I CA 1.608 62.897 61.300 -0.019 0.000 1.326 287 I CB -0.447 37.539 38.000 -0.023 0.000 1.028 287 I HN 0.254 nan 8.210 nan 0.000 0.412 288 L N 0.032 121.231 121.223 -0.040 0.000 2.141 288 L HA -0.199 4.141 4.340 -0.000 0.000 0.209 288 L C 2.234 179.077 176.870 -0.046 0.000 1.094 288 L CA 0.939 55.744 54.840 -0.059 0.000 0.763 288 L CB -0.686 41.335 42.059 -0.064 0.000 0.908 288 L HN 0.313 nan 8.230 nan 0.000 0.437 289 N N 0.407 119.090 118.700 -0.028 0.000 2.039 289 N HA -0.164 4.575 4.740 -0.000 0.000 0.193 289 N C 1.729 177.232 175.510 -0.012 0.000 1.044 289 N CA 1.189 54.228 53.050 -0.018 0.000 0.847 289 N CB -0.176 38.305 38.487 -0.010 0.000 1.030 289 N HN 0.173 nan 8.380 nan 0.000 0.422 290 K N 0.857 121.254 120.400 -0.004 0.000 2.211 290 K HA -0.026 4.294 4.320 -0.000 0.000 0.204 290 K C 1.814 178.422 176.600 0.012 0.000 1.047 290 K CA 0.921 57.214 56.287 0.010 0.000 0.935 290 K CB -0.298 32.213 32.500 0.018 0.000 0.728 290 K HN 0.194 nan 8.250 nan 0.000 0.452 291 A N 1.273 124.088 122.820 -0.008 0.000 1.969 291 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 291 A C 1.987 179.566 177.584 -0.008 0.000 1.169 291 A CA 1.101 53.133 52.037 -0.008 0.000 0.635 291 A CB -0.212 18.758 19.000 -0.050 0.000 0.810 291 A HN 0.329 nan 8.150 nan 0.000 0.445 292 Q N -0.250 119.538 119.800 -0.019 0.000 2.424 292 Q HA 0.037 4.376 4.340 -0.000 0.000 0.204 292 Q C -0.132 175.871 176.000 0.005 0.000 0.933 292 Q CA 0.010 55.803 55.803 -0.016 0.000 0.929 292 Q CB 0.234 28.956 28.738 -0.027 0.000 1.037 292 Q HN 0.721 nan 8.270 nan 0.000 0.511 293 E N 2.141 122.349 120.200 0.013 0.000 2.390 293 E HA 0.082 4.432 4.350 -0.000 0.000 0.261 293 E C -2.299 174.318 176.600 0.028 0.000 1.076 293 E CA -1.869 54.541 56.400 0.016 0.000 0.905 293 E CB 0.329 30.036 29.700 0.013 0.000 0.984 293 E HN 0.042 nan 8.360 nan 0.000 0.427 294 P HA 0.008 nan 4.420 nan 0.000 0.260 294 P C -2.450 174.858 177.300 0.013 0.000 1.185 294 P CA -0.763 62.347 63.100 0.017 0.000 0.763 294 P CB -0.479 31.220 31.700 -0.002 0.000 0.776 295 P HA 0.043 nan 4.420 nan 0.000 0.264 295 P C 0.997 178.224 177.300 -0.123 0.000 1.183 295 P CA 0.247 63.369 63.100 0.037 0.000 0.763 295 P CB 0.458 32.200 31.700 0.070 0.000 0.807 296 K N 0.408 120.660 120.400 -0.246 0.000 2.439 296 K HA 0.052 4.371 4.320 -0.000 0.000 0.197 296 K C 0.837 177.161 176.600 -0.460 0.000 1.041 296 K CA 0.658 56.703 56.287 -0.403 0.000 0.970 296 K CB 0.162 32.383 32.500 -0.466 0.000 0.773 296 K HN 0.501 nan 8.250 nan 0.000 0.479 297 S N -0.930 114.479 115.700 -0.485 0.000 2.615 297 S HA 0.307 4.777 4.470 -0.000 0.000 0.269 297 S C -0.721 173.793 174.600 -0.144 0.000 1.161 297 S CA -0.866 57.195 58.200 -0.232 0.000 0.817 297 S CB 1.471 64.643 63.200 -0.047 0.000 1.131 297 S HN 0.019 nan 8.310 nan 0.000 0.467 298 K N 0.373 120.766 120.400 -0.011 0.000 2.412 298 K HA 0.271 4.590 4.320 -0.000 0.000 0.202 298 K C -0.407 176.255 176.600 0.104 0.000 1.102 298 K CA -0.152 56.170 56.287 0.057 0.000 1.027 298 K CB 0.202 32.726 32.500 0.041 0.000 0.931 298 K HN 0.402 nan 8.250 nan 0.000 0.557 299 K N 1.636 122.098 120.400 0.104 0.000 2.511 299 K HA -0.080 4.240 4.320 -0.000 0.000 0.280 299 K C 1.142 177.862 176.600 0.199 0.000 1.008 299 K CA -0.051 56.320 56.287 0.140 0.000 1.050 299 K CB 0.879 33.464 32.500 0.142 0.000 0.889 299 K HN -0.116 nan 8.250 nan 0.000 0.484 300 V N 3.182 123.190 119.914 0.157 0.000 2.546 300 V HA -0.336 3.784 4.120 -0.000 0.000 0.254 300 V C 1.495 177.687 176.094 0.163 0.000 1.076 300 V CA 1.831 64.214 62.300 0.139 0.000 1.087 300 V CB -0.212 31.668 31.823 0.096 0.000 0.674 300 V HN 0.755 nan 8.190 nan 0.000 0.470 301 Q N 0.163 120.094 119.800 0.219 0.000 1.967 301 Q HA -0.191 4.149 4.340 -0.000 0.000 0.202 301 Q C 2.098 178.260 176.000 0.269 0.000 0.985 301 Q CA 2.553 58.482 55.803 0.211 0.000 0.839 301 Q CB -0.819 27.944 28.738 0.042 0.000 0.906 301 Q HN 0.971 nan 8.270 nan 0.000 0.423 302 H N -0.289 118.945 119.070 0.272 0.000 2.292 302 H HA -0.199 4.357 4.556 -0.001 0.000 0.292 302 H C 2.189 177.609 175.328 0.155 0.000 1.100 302 H CA 2.331 58.524 56.048 0.242 0.000 1.238 302 H CB -0.526 29.386 29.762 0.250 0.000 1.355 302 H HN 0.227 nan 8.280 nan 0.000 0.484 303 S N -0.506 115.270 115.700 0.126 0.000 2.365 303 S HA -0.226 4.243 4.470 -0.000 0.000 0.225 303 S C 2.063 176.629 174.600 -0.057 0.000 1.039 303 S CA 1.711 59.919 58.200 0.013 0.000 1.033 303 S CB -0.368 62.896 63.200 0.106 0.000 0.887 303 S HN 0.600 nan 8.310 nan 0.000 0.447 304 N N 1.503 120.198 118.700 -0.009 0.000 2.188 304 N HA 0.041 4.780 4.740 -0.000 0.000 0.184 304 N C 1.866 177.314 175.510 -0.104 0.000 1.018 304 N CA 1.317 54.342 53.050 -0.041 0.000 0.858 304 N CB -0.889 37.593 38.487 -0.009 0.000 0.989 304 N HN 0.514 nan 8.380 nan 0.000 0.426 305 A N 1.209 123.953 122.820 -0.126 0.000 1.873 305 A HA -0.140 4.179 4.320 -0.000 0.000 0.215 305 A C 2.185 179.631 177.584 -0.230 0.000 1.186 305 A CA 1.442 53.318 52.037 -0.268 0.000 0.616 305 A CB -0.501 18.383 19.000 -0.192 0.000 0.823 305 A HN 0.247 nan 8.150 nan 0.000 0.442 306 K N -0.507 119.763 120.400 -0.216 0.000 2.032 306 K HA -0.214 4.106 4.320 -0.000 0.000 0.209 306 K C 1.604 178.148 176.600 -0.093 0.000 1.048 306 K CA 1.864 58.038 56.287 -0.187 0.000 0.927 306 K CB -0.187 32.138 32.500 -0.292 0.000 0.712 306 K HN 0.435 nan 8.250 nan 0.000 0.441 307 N N 0.297 118.959 118.700 -0.062 0.000 2.354 307 N HA -0.054 4.686 4.740 -0.000 0.000 0.179 307 N C 1.439 177.041 175.510 0.154 0.000 1.021 307 N CA 0.989 54.069 53.050 0.049 0.000 0.887 307 N CB -0.248 38.238 38.487 -0.003 0.000 0.974 307 N HN 0.261 nan 8.380 nan 0.000 0.437 308 A N 0.624 123.454 122.820 0.018 0.000 1.883 308 A HA -0.114 4.205 4.320 -0.000 0.000 0.217 308 A C 2.417 180.005 177.584 0.007 0.000 1.186 308 A CA 1.470 53.502 52.037 -0.009 0.000 0.624 308 A CB -0.906 17.984 19.000 -0.183 0.000 0.822 308 A HN 0.102 nan 8.150 nan 0.000 0.444 309 V N -0.490 119.386 119.914 -0.063 0.000 2.358 309 V HA -0.199 3.921 4.120 -0.000 0.000 0.246 309 V C 2.480 178.574 176.094 -0.001 0.000 1.047 309 V CA 1.865 64.136 62.300 -0.048 0.000 1.035 309 V CB -0.623 31.151 31.823 -0.081 0.000 0.658 309 V HN 0.560 nan 8.190 nan 0.000 0.452 310 L N -0.647 120.580 121.223 0.007 0.000 2.042 310 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 310 L C 2.102 178.957 176.870 -0.026 0.000 1.076 310 L CA 2.083 56.907 54.840 -0.027 0.000 0.749 310 L CB -0.794 41.248 42.059 -0.028 0.000 0.893 310 L HN 0.279 nan 8.230 nan 0.000 0.432 311 F N -0.534 119.445 119.950 0.049 0.000 2.259 311 F HA -0.165 4.362 4.527 -0.000 0.000 0.298 311 F C 2.518 178.327 175.800 0.015 0.000 1.088 311 F CA 1.249 59.284 58.000 0.058 0.000 1.358 311 F CB -0.020 39.017 39.000 0.063 0.000 1.040 311 F HN 0.153 nan 8.300 nan 0.000 0.505 312 E N 0.356 120.659 120.200 0.172 0.000 2.072 312 E HA -0.115 4.235 4.350 -0.000 0.000 0.190 312 E C 2.199 178.815 176.600 0.027 0.000 0.982 312 E CA 1.160 57.606 56.400 0.077 0.000 0.803 312 E CB -0.323 29.395 29.700 0.031 0.000 0.755 312 E HN 0.234 nan 8.360 nan 0.000 0.453 313 A N 0.533 123.358 122.820 0.009 0.000 1.940 313 A HA -0.165 4.155 4.320 -0.000 0.000 0.219 313 A C 2.299 179.872 177.584 -0.018 0.000 1.176 313 A CA 1.362 53.388 52.037 -0.018 0.000 0.631 313 A CB -0.676 18.309 19.000 -0.026 0.000 0.814 313 A HN 0.351 nan 8.150 nan 0.000 0.446 314 I N -1.006 119.558 120.570 -0.010 0.000 2.315 314 I HA -0.191 3.978 4.170 -0.000 0.000 0.248 314 I C 2.807 178.944 176.117 0.033 0.000 1.117 314 I CA 1.457 62.752 61.300 -0.008 0.000 1.404 314 I CB -0.162 37.812 38.000 -0.043 0.000 1.071 314 I HN 0.399 nan 8.210 nan 0.000 0.419 315 S N 0.791 116.527 115.700 0.061 0.000 2.383 315 S HA -0.173 4.297 4.470 -0.000 0.000 0.227 315 S C 1.971 176.589 174.600 0.030 0.000 1.026 315 S CA 1.174 59.413 58.200 0.066 0.000 0.981 315 S CB -0.251 62.993 63.200 0.072 0.000 0.818 315 S HN 0.339 nan 8.310 nan 0.000 0.472 316 L N 1.764 122.964 121.223 -0.040 0.000 2.046 316 L HA 0.030 4.369 4.340 -0.000 0.000 0.208 316 L C 1.967 178.767 176.870 -0.117 0.000 1.077 316 L CA 1.662 56.411 54.840 -0.151 0.000 0.747 316 L CB -0.554 41.388 42.059 -0.195 0.000 0.896 316 L HN 0.380 nan 8.230 nan 0.000 0.432 317 I N -0.647 119.906 120.570 -0.028 0.000 2.113 317 I HA -0.344 3.826 4.170 -0.000 0.000 0.238 317 I C 2.479 178.643 176.117 0.078 0.000 1.070 317 I CA 1.890 63.209 61.300 0.032 0.000 1.332 317 I CB -0.441 37.573 38.000 0.022 0.000 1.044 317 I HN 0.236 nan 8.210 nan 0.000 0.402 318 I N 0.174 120.786 120.570 0.070 0.000 2.264 318 I HA -0.369 3.800 4.170 -0.000 0.000 0.248 318 I C 2.656 178.839 176.117 0.111 0.000 1.111 318 I CA 1.738 63.088 61.300 0.083 0.000 1.382 318 I CB -0.631 37.413 38.000 0.074 0.000 1.060 318 I HN 0.342 nan 8.210 nan 0.000 0.418 319 H N 0.188 119.270 119.070 0.019 0.000 2.293 319 H HA -0.193 4.363 4.556 -0.000 0.000 0.300 319 H C 2.372 177.771 175.328 0.119 0.000 1.082 319 H CA 2.226 58.293 56.048 0.032 0.000 1.308 319 H CB -0.149 29.593 29.762 -0.033 0.000 1.375 319 H HN 0.359 nan 8.280 nan 0.000 0.495 320 H N -0.889 118.331 119.070 0.250 0.000 2.319 320 H HA -0.126 4.429 4.556 -0.000 0.000 0.299 320 H C 0.404 175.773 175.328 0.068 0.000 1.092 320 H CA 0.623 56.763 56.048 0.153 0.000 1.302 320 H CB 0.093 29.932 29.762 0.128 0.000 1.373 320 H HN 0.443 nan 8.280 nan 0.000 0.497 321 D N 0.102 120.627 120.400 0.209 0.000 2.990 321 D HA -0.135 4.504 4.640 -0.000 0.000 0.245 321 D C -1.209 175.159 176.300 0.114 0.000 1.120 321 D CA 0.760 54.859 54.000 0.165 0.000 0.838 321 D CB -0.792 40.110 40.800 0.170 0.000 1.000 321 D HN 0.304 nan 8.370 nan 0.000 0.420 322 S N 0.728 116.457 115.700 0.049 0.000 2.596 322 S HA 0.644 5.114 4.470 -0.000 0.000 0.270 322 S C -0.934 173.630 174.600 -0.060 0.000 1.155 322 S CA -0.936 57.205 58.200 -0.099 0.000 0.827 322 S CB 1.651 64.782 63.200 -0.114 0.000 1.130 322 S HN 0.216 nan 8.310 nan 0.000 0.467 323 E N 0.554 120.685 120.200 -0.115 0.000 4.247 323 E HA -0.142 4.208 4.350 -0.000 0.000 0.264 323 E C -2.468 174.125 176.600 -0.011 0.000 1.893 323 E CA 0.304 56.672 56.400 -0.053 0.000 1.098 323 E CB -1.055 28.635 29.700 -0.018 0.000 0.901 323 E HN 0.322 nan 8.360 nan 0.000 0.336 324 P HA -0.237 nan 4.420 nan 0.000 0.216 324 P C 1.160 178.500 177.300 0.068 0.000 1.153 324 P CA 1.708 64.820 63.100 0.020 0.000 0.858 324 P CB 0.131 31.847 31.700 0.026 0.000 0.789 325 N N -0.315 118.428 118.700 0.073 0.000 2.061 325 N HA -0.184 4.556 4.740 -0.000 0.000 0.193 325 N C 1.654 177.189 175.510 0.041 0.000 1.030 325 N CA 1.475 54.563 53.050 0.064 0.000 0.856 325 N CB -0.948 37.565 38.487 0.044 0.000 1.023 325 N HN 0.022 nan 8.380 nan 0.000 0.424 326 L N -0.121 121.120 121.223 0.029 0.000 2.083 326 L HA -0.114 4.225 4.340 -0.000 0.000 0.209 326 L C 2.305 179.185 176.870 0.017 0.000 1.083 326 L CA 0.754 55.605 54.840 0.018 0.000 0.752 326 L CB -0.453 41.619 42.059 0.021 0.000 0.899 326 L HN 0.317 nan 8.230 nan 0.000 0.433 327 L N -1.055 120.187 121.223 0.032 0.000 2.083 327 L HA -0.205 4.134 4.340 -0.000 0.000 0.209 327 L C 2.452 179.340 176.870 0.031 0.000 1.083 327 L CA 0.835 55.694 54.840 0.032 0.000 0.752 327 L CB -0.361 41.724 42.059 0.043 0.000 0.899 327 L HN 0.066 nan 8.230 nan 0.000 0.433 328 V N -0.548 119.397 119.914 0.051 0.000 2.323 328 V HA -0.187 3.933 4.120 -0.000 0.000 0.244 328 V C 2.629 178.740 176.094 0.029 0.000 1.041 328 V CA 1.388 63.728 62.300 0.068 0.000 1.025 328 V CB -0.522 31.366 31.823 0.108 0.000 0.656 328 V HN 0.402 nan 8.190 nan 0.000 0.451 329 R N 0.508 121.012 120.500 0.006 0.000 2.091 329 R HA -0.150 4.189 4.340 -0.000 0.000 0.238 329 R C 2.368 178.621 176.300 -0.079 0.000 1.136 329 R CA 1.614 57.696 56.100 -0.031 0.000 0.959 329 R CB -1.019 29.262 30.300 -0.032 0.000 0.856 329 R HN 0.537 nan 8.270 nan 0.000 0.437 330 A N 0.711 123.486 122.820 -0.074 0.000 1.877 330 A HA -0.197 4.123 4.320 -0.000 0.000 0.216 330 A C 2.551 180.045 177.584 -0.150 0.000 1.186 330 A CA 1.572 53.536 52.037 -0.122 0.000 0.620 330 A CB -1.073 17.882 19.000 -0.075 0.000 0.822 330 A HN 0.469 nan 8.150 nan 0.000 0.443 331 C N -0.144 119.107 119.300 -0.080 0.000 2.419 331 C HA -0.061 4.399 4.460 -0.000 0.000 0.281 331 C C 2.511 177.399 174.990 -0.171 0.000 1.336 331 C CA 1.291 60.253 59.018 -0.092 0.000 1.770 331 C CB -1.540 26.215 27.740 0.026 0.000 1.929 331 C HN 0.619 nan 8.230 nan 0.000 0.509 332 N N 0.246 118.897 118.700 -0.081 0.000 2.354 332 N HA -0.077 4.662 4.740 -0.000 0.000 0.179 332 N C 1.737 177.120 175.510 -0.212 0.000 1.021 332 N CA 0.838 53.849 53.050 -0.065 0.000 0.887 332 N CB -0.460 38.031 38.487 0.006 0.000 0.974 332 N HN 0.610 nan 8.380 nan 0.000 0.437 333 Q N 0.778 120.391 119.800 -0.311 0.000 2.096 333 Q HA 0.160 4.500 4.340 -0.000 0.000 0.197 333 Q C 1.987 177.502 176.000 -0.809 0.000 0.964 333 Q CA 0.834 56.314 55.803 -0.539 0.000 0.838 333 Q CB -0.180 28.224 28.738 -0.557 0.000 0.906 333 Q HN 0.276 nan 8.270 nan 0.000 0.444 334 L N -0.477 120.382 121.223 -0.607 0.000 2.131 334 L HA -0.114 4.225 4.340 -0.000 0.000 0.210 334 L C 2.183 178.848 176.870 -0.341 0.000 1.092 334 L CA 1.089 55.660 54.840 -0.447 0.000 0.759 334 L CB -0.859 41.063 42.059 -0.228 0.000 0.903 334 L HN 0.438 nan 8.230 nan 0.000 0.435 335 G N -0.762 107.771 108.800 -0.445 0.000 2.446 335 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.217 335 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.217 335 G C 1.472 176.283 174.900 -0.149 0.000 1.168 335 G CA 0.347 45.180 45.100 -0.445 0.000 0.771 335 G HN 0.384 nan 8.290 nan 0.000 0.551 336 Q N -0.514 119.187 119.800 -0.164 0.000 2.170 336 Q HA 0.002 4.342 4.340 -0.000 0.000 0.203 336 Q C 2.348 178.420 176.000 0.119 0.000 0.976 336 Q CA 0.758 56.540 55.803 -0.036 0.000 0.858 336 Q CB -0.257 28.409 28.738 -0.121 0.000 0.907 336 Q HN 0.656 nan 8.270 nan 0.000 0.433 337 F N 0.540 120.459 119.950 -0.052 0.000 2.134 337 F HA -0.222 4.305 4.527 -0.000 0.000 0.299 337 F C 2.131 177.973 175.800 0.070 0.000 1.097 337 F CA 0.328 58.329 58.000 0.002 0.000 1.264 337 F CB -0.054 38.960 39.000 0.022 0.000 1.001 337 F HN 0.076 nan 8.300 nan 0.000 0.479 338 L N -0.202 121.161 121.223 0.233 0.000 2.046 338 L HA -0.262 4.077 4.340 -0.000 0.000 0.208 338 L C 2.405 179.365 176.870 0.150 0.000 1.077 338 L CA 1.408 56.340 54.840 0.153 0.000 0.747 338 L CB -0.764 41.344 42.059 0.083 0.000 0.896 338 L HN 0.198 nan 8.230 nan 0.000 0.432 339 Q N -1.187 118.712 119.800 0.165 0.000 2.050 339 Q HA -0.088 4.252 4.340 -0.000 0.000 0.202 339 Q C 0.625 176.734 176.000 0.183 0.000 0.980 339 Q CA 0.749 56.647 55.803 0.158 0.000 0.840 339 Q CB -0.078 28.757 28.738 0.162 0.000 0.898 339 Q HN 0.476 nan 8.270 nan 0.000 0.424 340 H N 2.114 121.246 119.070 0.103 0.000 3.184 340 H HA 0.006 4.562 4.556 -0.000 0.000 0.274 340 H C -0.260 175.110 175.328 0.070 0.000 0.962 340 H CA -0.587 55.516 56.048 0.091 0.000 1.441 340 H CB 0.337 30.167 29.762 0.114 0.000 1.518 340 H HN 0.136 nan 8.280 nan 0.000 0.539 341 R N 3.352 123.884 120.500 0.054 0.000 2.486 341 R HA -0.026 4.314 4.340 -0.000 0.000 0.304 341 R C 0.277 176.619 176.300 0.069 0.000 0.913 341 R CA 0.391 56.518 56.100 0.044 0.000 1.124 341 R CB -0.038 30.262 30.300 0.001 0.000 0.891 341 R HN 0.709 nan 8.270 nan 0.000 0.410 342 E N 0.395 120.635 120.200 0.067 0.000 1.729 342 E HA 0.159 4.509 4.350 -0.000 0.000 0.220 342 E C -0.565 176.070 176.600 0.057 0.000 1.866 342 E CA 0.029 56.465 56.400 0.061 0.000 1.096 342 E CB 0.580 30.321 29.700 0.069 0.000 1.402 342 E HN 0.507 nan 8.360 nan 0.000 0.619 343 T N -0.657 113.928 114.554 0.051 0.000 3.491 343 T HA 0.069 4.418 4.350 -0.000 0.000 0.284 343 T C 0.956 175.697 174.700 0.069 0.000 0.905 343 T CA -0.016 62.121 62.100 0.061 0.000 1.017 343 T CB -0.207 68.688 68.868 0.045 0.000 1.202 343 T HN 0.152 nan 8.240 nan 0.000 0.518 344 N N 1.830 120.547 118.700 0.027 0.000 2.120 344 N HA 0.095 4.835 4.740 -0.000 0.000 0.188 344 N C 1.775 177.297 175.510 0.021 0.000 1.024 344 N CA 1.138 54.187 53.050 -0.001 0.000 0.852 344 N CB -0.309 38.154 38.487 -0.039 0.000 1.003 344 N HN 0.366 nan 8.380 nan 0.000 0.424 345 L N 0.425 121.653 121.223 0.009 0.000 2.049 345 L HA -0.020 4.319 4.340 -0.000 0.000 0.203 345 L C 2.408 179.359 176.870 0.135 0.000 1.074 345 L CA 0.745 55.592 54.840 0.012 0.000 0.749 345 L CB -0.401 41.568 42.059 -0.150 0.000 0.907 345 L HN 0.071 nan 8.230 nan 0.000 0.439 346 R N -0.560 120.014 120.500 0.124 0.000 2.133 346 R HA -0.293 4.047 4.340 -0.000 0.000 0.245 346 R C 2.298 178.666 176.300 0.113 0.000 1.137 346 R CA 2.481 58.657 56.100 0.128 0.000 0.947 346 R CB -0.904 29.455 30.300 0.099 0.000 0.865 346 R HN 0.259 nan 8.270 nan 0.000 0.437 347 Y N 0.987 121.294 120.300 0.013 0.000 2.030 347 Y HA -0.306 4.243 4.550 -0.000 0.000 0.274 347 Y C 2.026 177.909 175.900 -0.028 0.000 1.153 347 Y CA 1.656 59.748 58.100 -0.013 0.000 1.115 347 Y CB -0.304 38.132 38.460 -0.040 0.000 0.969 347 Y HN -0.039 nan 8.280 nan 0.000 0.488 348 L N 0.319 121.666 121.223 0.208 0.000 2.079 348 L HA -0.227 4.112 4.340 -0.000 0.000 0.210 348 L C 2.669 179.578 176.870 0.065 0.000 1.081 348 L CA 2.009 56.809 54.840 -0.066 0.000 0.752 348 L CB -1.793 39.893 42.059 -0.622 0.000 0.896 348 L HN 0.435 nan 8.230 nan 0.000 0.433 349 A N -1.076 121.940 122.820 0.326 0.000 1.930 349 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 349 A C 2.310 179.996 177.584 0.170 0.000 1.175 349 A CA 1.285 53.594 52.037 0.454 0.000 0.627 349 A CB -0.628 18.650 19.000 0.463 0.000 0.815 349 A HN 0.391 nan 8.150 nan 0.000 0.443 350 L N -0.875 120.366 121.223 0.030 0.000 2.141 350 L HA -0.173 4.167 4.340 -0.000 0.000 0.209 350 L C 2.590 179.402 176.870 -0.096 0.000 1.094 350 L CA 1.649 56.450 54.840 -0.065 0.000 0.763 350 L CB -0.407 41.563 42.059 -0.149 0.000 0.908 350 L HN 0.536 nan 8.230 nan 0.000 0.437 351 E N -0.477 119.635 120.200 -0.147 0.000 2.047 351 E HA -0.202 4.147 4.350 -0.000 0.000 0.191 351 E C 2.361 178.963 176.600 0.004 0.000 0.987 351 E CA 1.266 57.596 56.400 -0.117 0.000 0.799 351 E CB 0.109 29.739 29.700 -0.117 0.000 0.752 351 E HN 0.259 nan 8.360 nan 0.000 0.449 352 S N 0.100 115.853 115.700 0.089 0.000 2.355 352 S HA -0.150 4.319 4.470 -0.000 0.000 0.222 352 S C 1.957 176.611 174.600 0.091 0.000 1.031 352 S CA 1.309 59.603 58.200 0.158 0.000 0.993 352 S CB -0.178 63.248 63.200 0.378 0.000 0.859 352 S HN 0.299 nan 8.310 nan 0.000 0.453 353 M N 0.166 119.805 119.600 0.066 0.000 2.149 353 M HA -0.136 4.344 4.480 -0.000 0.000 0.261 353 M C 2.388 178.700 176.300 0.020 0.000 1.064 353 M CA 1.517 56.829 55.300 0.020 0.000 1.102 353 M CB -0.399 32.195 32.600 -0.010 0.000 1.369 353 M HN 0.521 nan 8.290 nan 0.000 0.408 354 C N -0.017 119.292 119.300 0.014 0.000 2.422 354 C HA -0.120 4.340 4.460 -0.000 0.000 0.279 354 C C 2.619 177.626 174.990 0.028 0.000 1.305 354 C CA 1.748 60.776 59.018 0.016 0.000 1.757 354 C CB -1.042 26.695 27.740 -0.004 0.000 1.962 354 C HN 0.610 nan 8.230 nan 0.000 0.499 355 T N 0.298 114.871 114.554 0.032 0.000 2.904 355 T HA -0.075 4.275 4.350 -0.000 0.000 0.267 355 T C 1.557 176.280 174.700 0.038 0.000 1.059 355 T CA 1.027 63.151 62.100 0.039 0.000 1.137 355 T CB -0.264 68.635 68.868 0.051 0.000 0.879 355 T HN 0.570 nan 8.240 nan 0.000 0.467 356 L N 0.740 121.985 121.223 0.037 0.000 2.362 356 L HA 0.087 4.426 4.340 -0.000 0.000 0.219 356 L C 2.414 179.298 176.870 0.024 0.000 1.134 356 L CA 0.686 55.545 54.840 0.031 0.000 0.807 356 L CB -0.295 41.779 42.059 0.025 0.000 0.927 356 L HN 0.206 nan 8.230 nan 0.000 0.447 357 A N -1.264 121.570 122.820 0.024 0.000 2.066 357 A HA -0.075 4.245 4.320 -0.000 0.000 0.218 357 A C 1.907 179.496 177.584 0.008 0.000 1.157 357 A CA 1.206 53.254 52.037 0.018 0.000 0.670 357 A CB -0.364 18.651 19.000 0.026 0.000 0.804 357 A HN 0.494 nan 8.150 nan 0.000 0.453 358 S N 0.016 115.723 115.700 0.011 0.000 2.685 358 S HA 0.294 4.764 4.470 -0.000 0.000 0.240 358 S C 0.407 175.000 174.600 -0.012 0.000 0.967 358 S CA 0.154 58.355 58.200 0.001 0.000 1.009 358 S CB -0.316 62.891 63.200 0.012 0.000 0.776 358 S HN 0.406 nan 8.310 nan 0.000 0.467 359 S N 0.901 116.591 115.700 -0.016 0.000 2.525 359 S HA 0.360 4.830 4.470 -0.000 0.000 0.290 359 S C 0.376 174.916 174.600 -0.100 0.000 1.152 359 S CA -0.621 57.567 58.200 -0.021 0.000 1.072 359 S CB 1.460 64.669 63.200 0.015 0.000 1.027 359 S HN 0.392 nan 8.310 nan 0.000 0.500 360 E N 2.390 122.474 120.200 -0.194 0.000 2.476 360 E HA 0.208 4.557 4.350 -0.000 0.000 0.196 360 E C -0.691 175.405 176.600 -0.840 0.000 1.029 360 E CA 0.138 56.240 56.400 -0.497 0.000 0.896 360 E CB 0.254 29.603 29.700 -0.585 0.000 1.012 360 E HN 0.770 nan 8.360 nan 0.000 0.475 361 F N -0.804 119.075 119.950 -0.118 0.000 2.815 361 F HA 0.089 4.616 4.527 -0.000 0.000 0.323 361 F C 1.618 177.212 175.800 -0.344 0.000 1.151 361 F CA -0.255 57.608 58.000 -0.229 0.000 1.191 361 F CB 0.807 39.713 39.000 -0.157 0.000 1.069 361 F HN -0.057 nan 8.300 nan 0.000 0.514 362 S N -1.486 114.135 115.700 -0.132 0.000 2.496 362 S HA -0.094 4.376 4.470 -0.000 0.000 0.224 362 S C 0.737 175.298 174.600 -0.064 0.000 0.996 362 S CA 0.590 58.743 58.200 -0.079 0.000 0.927 362 S CB -0.537 62.663 63.200 -0.000 0.000 0.774 362 S HN 0.523 nan 8.310 nan 0.000 0.524 363 H N 1.243 120.329 119.070 0.028 0.000 2.992 363 H HA -0.146 4.410 4.556 -0.001 0.000 0.266 363 H C -0.089 175.232 175.328 -0.010 0.000 1.200 363 H CA 1.111 57.163 56.048 0.006 0.000 1.135 363 H CB -2.504 27.268 29.762 0.017 0.000 1.282 363 H HN 0.768 nan 8.280 nan 0.000 0.351 364 E N -2.521 117.709 120.200 0.051 0.000 2.553 364 E HA -0.229 4.120 4.350 -0.000 0.000 0.264 364 E C 1.258 177.889 176.600 0.052 0.000 1.068 364 E CA 0.550 56.968 56.400 0.030 0.000 0.774 364 E CB -1.226 28.480 29.700 0.011 0.000 1.349 364 E HN 0.687 nan 8.360 nan 0.000 0.404 365 A N -0.052 122.816 122.820 0.080 0.000 2.084 365 A HA -0.169 4.151 4.320 -0.000 0.000 0.221 365 A C 2.163 179.829 177.584 0.137 0.000 1.161 365 A CA 1.628 53.725 52.037 0.101 0.000 0.653 365 A CB -0.087 18.988 19.000 0.125 0.000 0.802 365 A HN 0.266 nan 8.150 nan 0.000 0.457 366 V N 0.236 120.223 119.914 0.122 0.000 2.332 366 V HA -0.283 3.837 4.120 -0.000 0.000 0.248 366 V C 2.335 178.502 176.094 0.121 0.000 1.055 366 V CA 2.368 64.760 62.300 0.153 0.000 1.038 366 V CB -0.504 31.363 31.823 0.073 0.000 0.651 366 V HN 0.612 nan 8.190 nan 0.000 0.450 367 K N -0.727 119.695 120.400 0.037 0.000 2.360 367 K HA -0.143 4.177 4.320 -0.000 0.000 0.201 367 K C 1.925 178.492 176.600 -0.056 0.000 1.046 367 K CA 1.540 57.819 56.287 -0.012 0.000 0.940 367 K CB -0.339 32.139 32.500 -0.037 0.000 0.748 367 K HN 0.445 nan 8.250 nan 0.000 0.465 368 T N 0.254 114.734 114.554 -0.122 0.000 2.995 368 T HA -0.054 4.296 4.350 -0.000 0.000 0.269 368 T C 0.999 175.455 174.700 -0.406 0.000 1.091 368 T CA 0.796 62.712 62.100 -0.307 0.000 1.128 368 T CB -0.054 68.526 68.868 -0.478 0.000 0.891 368 T HN 0.326 nan 8.240 nan 0.000 0.492 369 H N 0.363 119.426 119.070 -0.012 0.000 2.520 369 H HA 0.314 4.870 4.556 -0.001 0.000 0.284 369 H C 1.830 177.155 175.328 -0.006 0.000 1.037 369 H CA -0.108 55.936 56.048 -0.007 0.000 1.168 369 H CB -0.015 29.744 29.762 -0.005 0.000 1.497 369 H HN 0.396 nan 8.280 nan 0.000 0.547 370 I N 0.577 121.173 120.570 0.044 0.000 2.229 370 I HA -0.316 3.854 4.170 -0.000 0.000 0.250 370 I C 2.187 178.321 176.117 0.030 0.000 1.096 370 I CA 1.387 62.703 61.300 0.026 0.000 1.358 370 I CB -0.160 37.836 38.000 -0.007 0.000 1.047 370 I HN 0.191 nan 8.210 nan 0.000 0.422 371 E N 0.892 121.107 120.200 0.025 0.000 2.015 371 E HA -0.133 4.216 4.350 -0.000 0.000 0.191 371 E C 2.281 178.906 176.600 0.042 0.000 0.991 371 E CA 1.853 58.268 56.400 0.025 0.000 0.802 371 E CB -0.675 29.034 29.700 0.015 0.000 0.759 371 E HN 0.468 nan 8.360 nan 0.000 0.447 372 T N 2.004 116.598 114.554 0.067 0.000 2.685 372 T HA -0.177 4.172 4.350 -0.000 0.000 0.268 372 T C 2.119 176.853 174.700 0.057 0.000 1.034 372 T CA 2.044 64.189 62.100 0.076 0.000 1.149 372 T CB -0.472 68.467 68.868 0.118 0.000 0.860 372 T HN 0.199 nan 8.240 nan 0.000 0.449 373 V N 0.243 120.190 119.914 0.055 0.000 2.446 373 V HA 0.056 4.176 4.120 -0.000 0.000 0.244 373 V C 2.204 178.304 176.094 0.009 0.000 1.039 373 V CA 0.929 63.245 62.300 0.028 0.000 1.045 373 V CB -0.748 31.089 31.823 0.023 0.000 0.681 373 V HN 0.491 nan 8.190 nan 0.000 0.459 374 I N 1.740 122.319 120.570 0.015 0.000 2.185 374 I HA -0.309 3.861 4.170 -0.000 0.000 0.246 374 I C 2.744 178.866 176.117 0.007 0.000 1.088 374 I CA 2.402 63.707 61.300 0.008 0.000 1.347 374 I CB -0.476 37.534 38.000 0.017 0.000 1.041 374 I HN 0.624 nan 8.210 nan 0.000 0.415 375 N N 1.367 120.077 118.700 0.017 0.000 2.028 375 N HA -0.225 4.515 4.740 -0.000 0.000 0.194 375 N C 1.987 177.506 175.510 0.014 0.000 1.050 375 N CA 2.061 55.123 53.050 0.020 0.000 0.848 375 N CB -0.281 38.223 38.487 0.029 0.000 1.038 375 N HN 0.331 nan 8.380 nan 0.000 0.423 376 A N 1.529 124.358 122.820 0.016 0.000 1.944 376 A HA -0.233 4.087 4.320 -0.000 0.000 0.222 376 A C 2.348 179.924 177.584 -0.013 0.000 1.237 376 A CA 2.117 54.159 52.037 0.009 0.000 0.668 376 A CB -1.188 17.816 19.000 0.006 0.000 0.830 376 A HN 0.502 nan 8.150 nan 0.000 0.471 377 L N -1.064 120.134 121.223 -0.042 0.000 2.156 377 L HA -0.023 4.316 4.340 -0.000 0.000 0.208 377 L C 2.168 179.017 176.870 -0.034 0.000 1.095 377 L CA 2.544 57.329 54.840 -0.092 0.000 0.770 377 L CB -0.419 41.551 42.059 -0.149 0.000 0.914 377 L HN 0.402 nan 8.230 nan 0.000 0.439 378 K N -0.986 119.414 120.400 0.000 0.000 1.984 378 K HA -0.139 4.180 4.320 -0.000 0.000 0.209 378 K C 2.052 178.674 176.600 0.037 0.000 1.046 378 K CA 1.948 58.252 56.287 0.028 0.000 0.934 378 K CB -0.283 32.234 32.500 0.028 0.000 0.717 378 K HN 0.642 nan 8.250 nan 0.000 0.438 379 T N -0.635 113.937 114.554 0.029 0.000 2.673 379 T HA -0.048 4.302 4.350 -0.000 0.000 0.248 379 T C 0.423 175.146 174.700 0.038 0.000 1.080 379 T CA 0.088 62.208 62.100 0.034 0.000 1.203 379 T CB -0.477 68.409 68.868 0.030 0.000 0.893 379 T HN 0.010 nan 8.240 nan 0.000 0.404 380 E N 2.976 123.196 120.200 0.034 0.000 3.379 380 E HA -0.077 4.273 4.350 -0.000 0.000 0.257 380 E C 0.298 176.930 176.600 0.053 0.000 0.882 380 E CA 0.522 56.947 56.400 0.041 0.000 0.962 380 E CB 0.120 29.842 29.700 0.037 0.000 0.900 380 E HN 0.544 nan 8.360 nan 0.000 0.560 381 R N 2.385 122.916 120.500 0.053 0.000 2.649 381 R HA 0.227 4.567 4.340 -0.000 0.000 0.270 381 R C 0.047 176.385 176.300 0.063 0.000 1.105 381 R CA -0.412 55.724 56.100 0.060 0.000 1.193 381 R CB 0.355 30.683 30.300 0.047 0.000 1.120 381 R HN 0.468 nan 8.270 nan 0.000 0.561 382 D N -0.528 119.914 120.400 0.070 0.000 3.090 382 D HA -0.112 4.528 4.640 -0.000 0.000 0.211 382 D C 0.023 176.381 176.300 0.096 0.000 1.231 382 D CA 0.072 54.115 54.000 0.071 0.000 0.574 382 D CB -0.515 40.326 40.800 0.068 0.000 0.377 382 D HN 0.228 nan 8.370 nan 0.000 0.161 383 V N 2.857 122.831 119.914 0.099 0.000 2.688 383 V HA -0.238 3.881 4.120 -0.000 0.000 0.256 383 V C 2.424 178.600 176.094 0.136 0.000 1.084 383 V CA 2.422 64.802 62.300 0.133 0.000 1.103 383 V CB -0.682 31.205 31.823 0.107 0.000 0.688 383 V HN 0.730 nan 8.190 nan 0.000 0.480 384 S N -0.502 115.279 115.700 0.136 0.000 2.345 384 S HA -0.140 4.330 4.470 -0.000 0.000 0.219 384 S C 1.960 176.683 174.600 0.204 0.000 1.031 384 S CA 1.353 59.677 58.200 0.206 0.000 0.984 384 S CB -0.591 62.760 63.200 0.252 0.000 0.874 384 S HN 0.306 nan 8.310 nan 0.000 0.451 385 V N 2.637 122.674 119.914 0.205 0.000 2.287 385 V HA -0.198 3.922 4.120 -0.000 0.000 0.248 385 V C 2.921 178.999 176.094 -0.026 0.000 1.053 385 V CA 2.207 64.560 62.300 0.088 0.000 1.027 385 V CB -0.885 31.002 31.823 0.107 0.000 0.646 385 V HN 0.400 nan 8.190 nan 0.000 0.447 386 R N -0.620 119.873 120.500 -0.011 0.000 2.117 386 R HA -0.231 4.108 4.340 -0.000 0.000 0.243 386 R C 2.439 178.580 176.300 -0.264 0.000 1.143 386 R CA 1.914 57.929 56.100 -0.142 0.000 0.968 386 R CB -0.285 30.004 30.300 -0.017 0.000 0.863 386 R HN 0.625 nan 8.270 nan 0.000 0.444 387 Q N -0.528 119.223 119.800 -0.081 0.000 2.049 387 Q HA -0.037 4.303 4.340 -0.000 0.000 0.198 387 Q C 1.989 177.924 176.000 -0.108 0.000 0.971 387 Q CA 0.780 56.544 55.803 -0.065 0.000 0.833 387 Q CB 0.119 28.885 28.738 0.047 0.000 0.896 387 Q HN 0.132 nan 8.270 nan 0.000 0.434 388 R N 0.255 120.674 120.500 -0.136 0.000 2.200 388 R HA -0.100 4.240 4.340 -0.000 0.000 0.234 388 R C 1.790 177.997 176.300 -0.156 0.000 1.127 388 R CA 1.130 57.109 56.100 -0.202 0.000 0.989 388 R CB -0.619 29.407 30.300 -0.457 0.000 0.869 388 R HN 0.271 nan 8.270 nan 0.000 0.459 389 A N 0.206 122.936 122.820 -0.150 0.000 1.861 389 A HA -0.025 4.295 4.320 -0.000 0.000 0.212 389 A C 2.415 179.937 177.584 -0.103 0.000 1.199 389 A CA 0.793 52.758 52.037 -0.120 0.000 0.613 389 A CB -0.602 18.317 19.000 -0.134 0.000 0.846 389 A HN 0.065 nan 8.150 nan 0.000 0.446 390 V N 1.112 120.929 119.914 -0.163 0.000 2.324 390 V HA -0.298 3.822 4.120 -0.000 0.000 0.250 390 V C 2.114 178.207 176.094 -0.002 0.000 1.060 390 V CA 2.597 64.835 62.300 -0.105 0.000 1.042 390 V CB -0.838 30.890 31.823 -0.159 0.000 0.650 390 V HN 0.538 nan 8.190 nan 0.000 0.450 391 D N -0.611 119.776 120.400 -0.021 0.000 2.144 391 D HA -0.145 4.495 4.640 -0.000 0.000 0.199 391 D C 1.851 178.196 176.300 0.075 0.000 0.984 391 D CA 0.979 54.991 54.000 0.020 0.000 0.834 391 D CB -0.310 40.478 40.800 -0.020 0.000 0.955 391 D HN 0.357 nan 8.370 nan 0.000 0.465 392 L N 0.449 121.690 121.223 0.029 0.000 2.017 392 L HA -0.074 4.266 4.340 -0.000 0.000 0.208 392 L C 2.099 179.008 176.870 0.065 0.000 1.073 392 L CA 1.362 56.224 54.840 0.038 0.000 0.745 392 L CB -0.567 41.495 42.059 0.005 0.000 0.894 392 L HN 0.028 nan 8.230 nan 0.000 0.432 393 L N -1.856 119.405 121.223 0.062 0.000 2.042 393 L HA -0.278 4.062 4.340 -0.000 0.000 0.210 393 L C 2.503 179.442 176.870 0.116 0.000 1.076 393 L CA 1.650 56.532 54.840 0.070 0.000 0.749 393 L CB -0.743 41.351 42.059 0.058 0.000 0.893 393 L HN 0.358 nan 8.230 nan 0.000 0.432 394 Y N 0.553 120.875 120.300 0.035 0.000 2.224 394 Y HA -0.232 4.318 4.550 -0.000 0.000 0.289 394 Y C 2.318 178.259 175.900 0.069 0.000 1.146 394 Y CA 1.392 59.531 58.100 0.064 0.000 1.182 394 Y CB -0.066 38.428 38.460 0.056 0.000 0.983 394 Y HN 0.106 nan 8.280 nan 0.000 0.524 395 A N 0.076 122.998 122.820 0.170 0.000 2.238 395 A HA 0.080 4.399 4.320 -0.000 0.000 0.208 395 A C 1.663 179.256 177.584 0.014 0.000 1.177 395 A CA 0.850 52.939 52.037 0.086 0.000 0.804 395 A CB -0.917 18.155 19.000 0.121 0.000 0.823 395 A HN 0.687 nan 8.150 nan 0.000 0.482 396 M N -3.295 116.301 119.600 -0.007 0.000 2.410 396 M HA 0.388 4.868 4.480 -0.000 0.000 0.376 396 M C -0.175 176.066 176.300 -0.098 0.000 1.051 396 M CA -0.503 54.776 55.300 -0.036 0.000 0.949 396 M CB -0.249 32.347 32.600 -0.007 0.000 1.577 396 M HN 0.001 nan 8.290 nan 0.000 0.560 397 C N 3.778 123.004 119.300 -0.124 0.000 2.648 397 C HA 0.383 4.843 4.460 -0.000 0.000 0.419 397 C C 0.125 174.758 174.990 -0.594 0.000 1.352 397 C CA 0.255 59.122 59.018 -0.250 0.000 1.816 397 C CB -0.540 27.139 27.740 -0.101 0.000 2.598 397 C HN 0.817 nan 8.230 nan 0.000 0.598 398 D N 2.974 122.950 120.400 -0.707 0.000 2.758 398 D HA 0.347 4.986 4.640 -0.000 0.000 0.279 398 D C 0.660 176.441 176.300 -0.864 0.000 1.111 398 D CA -0.833 52.613 54.000 -0.923 0.000 1.109 398 D CB 0.415 40.987 40.800 -0.380 0.000 1.428 398 D HN 0.480 nan 8.370 nan 0.000 0.586 399 R N -0.266 119.964 120.500 -0.451 0.000 2.189 399 R HA 0.029 4.369 4.340 -0.000 0.000 0.223 399 R C 1.778 177.967 176.300 -0.185 0.000 1.092 399 R CA 1.149 57.142 56.100 -0.178 0.000 0.989 399 R CB -0.498 29.799 30.300 -0.005 0.000 0.876 399 R HN 0.370 nan 8.270 nan 0.000 0.457 400 S N 1.930 117.518 115.700 -0.187 0.000 2.368 400 S HA -0.126 4.344 4.470 -0.000 0.000 0.224 400 S C 1.421 175.931 174.600 -0.150 0.000 1.029 400 S CA 1.531 59.642 58.200 -0.148 0.000 0.988 400 S CB -0.341 62.785 63.200 -0.123 0.000 0.838 400 S HN 0.635 nan 8.310 nan 0.000 0.462 401 N N 0.695 119.301 118.700 -0.157 0.000 2.187 401 N HA 0.395 5.135 4.740 -0.000 0.000 0.212 401 N C 1.428 176.885 175.510 -0.088 0.000 1.152 401 N CA 0.466 53.449 53.050 -0.113 0.000 0.872 401 N CB 0.236 38.669 38.487 -0.089 0.000 1.025 401 N HN 0.319 nan 8.380 nan 0.000 0.514 402 A N 2.149 124.898 122.820 -0.117 0.000 1.865 402 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 402 A C 2.302 179.942 177.584 0.094 0.000 1.191 402 A CA 1.374 53.420 52.037 0.016 0.000 0.623 402 A CB -0.659 18.390 19.000 0.082 0.000 0.826 402 A HN 0.315 nan 8.150 nan 0.000 0.444 403 Q N -1.006 118.678 119.800 -0.192 0.000 2.096 403 Q HA -0.239 4.101 4.340 -0.000 0.000 0.204 403 Q C 2.427 178.485 176.000 0.096 0.000 0.982 403 Q CA 1.579 57.303 55.803 -0.132 0.000 0.850 403 Q CB -0.227 28.177 28.738 -0.557 0.000 0.901 403 Q HN 0.675 nan 8.270 nan 0.000 0.422 404 Q N 0.275 120.078 119.800 0.006 0.000 2.045 404 Q HA -0.209 4.131 4.340 -0.000 0.000 0.206 404 Q C 2.109 178.153 176.000 0.072 0.000 0.991 404 Q CA 1.435 57.256 55.803 0.029 0.000 0.851 404 Q CB -0.129 28.601 28.738 -0.013 0.000 0.911 404 Q HN 0.468 nan 8.270 nan 0.000 0.418 405 I N -0.446 120.175 120.570 0.085 0.000 2.235 405 I HA -0.226 3.944 4.170 -0.000 0.000 0.241 405 I C 2.345 178.549 176.117 0.146 0.000 1.085 405 I CA 0.481 61.841 61.300 0.099 0.000 1.378 405 I CB -0.225 37.829 38.000 0.089 0.000 1.076 405 I HN -0.005 nan 8.210 nan 0.000 0.415 406 V N 1.409 121.455 119.914 0.220 0.000 2.317 406 V HA -0.389 3.731 4.120 -0.000 0.000 0.251 406 V C 2.699 178.898 176.094 0.174 0.000 1.065 406 V CA 2.185 64.623 62.300 0.231 0.000 1.049 406 V CB -1.259 30.787 31.823 0.370 0.000 0.651 406 V HN 0.527 nan 8.190 nan 0.000 0.450 407 A N -0.225 122.710 122.820 0.192 0.000 1.841 407 A HA -0.289 4.030 4.320 -0.000 0.000 0.216 407 A C 2.172 179.820 177.584 0.106 0.000 1.199 407 A CA 2.152 54.274 52.037 0.141 0.000 0.621 407 A CB -0.736 18.345 19.000 0.135 0.000 0.835 407 A HN 0.499 nan 8.150 nan 0.000 0.445 408 E N -0.880 119.378 120.200 0.097 0.000 2.219 408 E HA -0.161 4.189 4.350 -0.000 0.000 0.198 408 E C 1.921 178.582 176.600 0.102 0.000 0.998 408 E CA 1.255 57.705 56.400 0.083 0.000 0.818 408 E CB -0.265 29.471 29.700 0.061 0.000 0.741 408 E HN 0.642 nan 8.360 nan 0.000 0.477 409 M N -0.981 118.687 119.600 0.113 0.000 2.193 409 M HA -0.034 4.445 4.480 -0.000 0.000 0.265 409 M C 1.762 178.141 176.300 0.132 0.000 1.071 409 M CA 0.787 56.169 55.300 0.137 0.000 1.140 409 M CB 0.073 32.754 32.600 0.135 0.000 1.369 409 M HN 0.144 nan 8.290 nan 0.000 0.423 410 L N -0.485 120.793 121.223 0.091 0.000 2.083 410 L HA -0.211 4.129 4.340 -0.000 0.000 0.209 410 L C 2.646 179.546 176.870 0.050 0.000 1.083 410 L CA 1.606 56.477 54.840 0.052 0.000 0.752 410 L CB -0.676 41.403 42.059 0.034 0.000 0.899 410 L HN 0.417 nan 8.230 nan 0.000 0.433 411 S N -1.336 114.410 115.700 0.077 0.000 2.428 411 S HA -0.220 4.250 4.470 -0.000 0.000 0.230 411 S C 2.013 176.675 174.600 0.104 0.000 1.014 411 S CA 0.472 58.715 58.200 0.072 0.000 0.957 411 S CB -0.566 62.678 63.200 0.073 0.000 0.784 411 S HN 0.479 nan 8.310 nan 0.000 0.499 412 Y N 2.180 122.481 120.300 0.003 0.000 2.263 412 Y HA 0.154 4.704 4.550 -0.000 0.000 0.292 412 Y C 1.987 177.873 175.900 -0.023 0.000 1.130 412 Y CA 0.958 59.056 58.100 -0.003 0.000 1.179 412 Y CB -0.559 37.903 38.460 0.003 0.000 0.998 412 Y HN 0.356 nan 8.280 nan 0.000 0.532 413 L N 0.458 121.641 121.223 -0.068 0.000 2.042 413 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 413 L C 2.226 178.980 176.870 -0.194 0.000 1.076 413 L CA 2.258 56.989 54.840 -0.182 0.000 0.749 413 L CB -0.731 41.274 42.059 -0.089 0.000 0.893 413 L HN 0.224 nan 8.230 nan 0.000 0.432 414 E N -0.830 119.306 120.200 -0.107 0.000 2.187 414 E HA -0.229 4.120 4.350 -0.000 0.000 0.199 414 E C 0.768 177.309 176.600 -0.098 0.000 1.004 414 E CA 1.626 57.974 56.400 -0.085 0.000 0.813 414 E CB -0.020 29.660 29.700 -0.034 0.000 0.736 414 E HN 0.730 nan 8.360 nan 0.000 0.468 415 T N -3.059 111.423 114.554 -0.120 0.000 3.487 415 T HA 0.633 4.983 4.350 -0.000 0.000 0.287 415 T C -0.316 174.292 174.700 -0.154 0.000 1.004 415 T CA -0.285 61.761 62.100 -0.089 0.000 0.977 415 T CB 0.917 69.763 68.868 -0.036 0.000 1.180 415 T HN 0.116 nan 8.240 nan 0.000 0.490 416 A N 1.024 123.697 122.820 -0.244 0.000 2.320 416 A HA 0.725 5.044 4.320 -0.000 0.000 0.334 416 A C -0.323 177.185 177.584 -0.127 0.000 1.147 416 A CA -0.837 51.008 52.037 -0.320 0.000 0.820 416 A CB 0.505 19.166 19.000 -0.564 0.000 1.218 416 A HN 0.548 nan 8.150 nan 0.000 0.482 417 D N -0.044 120.311 120.400 -0.075 0.000 2.370 417 D HA 0.071 4.711 4.640 -0.000 0.000 0.235 417 D C 0.120 176.485 176.300 0.107 0.000 1.228 417 D CA 0.451 54.484 54.000 0.054 0.000 0.884 417 D CB 0.097 40.895 40.800 -0.003 0.000 1.201 417 D HN 0.464 nan 8.370 nan 0.000 0.456 418 Y N -0.261 119.930 120.300 -0.182 0.000 2.457 418 Y HA -0.049 4.501 4.550 -0.000 0.000 0.292 418 Y C 2.435 178.173 175.900 -0.270 0.000 1.125 418 Y CA 0.490 58.424 58.100 -0.276 0.000 1.254 418 Y CB -0.877 37.518 38.460 -0.109 0.000 1.012 418 Y HN 0.319 nan 8.280 nan 0.000 0.555 419 S N -0.706 115.001 115.700 0.012 0.000 2.474 419 S HA -0.095 4.375 4.470 -0.000 0.000 0.235 419 S C 1.692 176.251 174.600 -0.068 0.000 0.997 419 S CA 0.920 59.112 58.200 -0.013 0.000 0.949 419 S CB -0.336 62.869 63.200 0.007 0.000 0.766 419 S HN 0.198 nan 8.310 nan 0.000 0.517 420 I N 1.735 122.235 120.570 -0.117 0.000 2.852 420 I HA 0.135 4.305 4.170 -0.000 0.000 0.264 420 I C 2.460 178.440 176.117 -0.228 0.000 1.179 420 I CA 0.221 61.439 61.300 -0.137 0.000 1.480 420 I CB -1.015 36.901 38.000 -0.140 0.000 1.111 420 I HN 0.193 nan 8.210 nan 0.000 0.441 421 R N 0.827 121.076 120.500 -0.419 0.000 2.097 421 R HA -0.230 4.110 4.340 -0.000 0.000 0.236 421 R C 2.102 178.199 176.300 -0.337 0.000 1.135 421 R CA 1.775 57.524 56.100 -0.586 0.000 0.934 421 R CB -0.760 28.713 30.300 -1.379 0.000 0.846 421 R HN 0.463 nan 8.270 nan 0.000 0.431 422 E N 1.161 121.218 120.200 -0.240 0.000 2.058 422 E HA -0.235 4.114 4.350 -0.000 0.000 0.194 422 E C 1.875 178.470 176.600 -0.009 0.000 0.997 422 E CA 1.928 58.350 56.400 0.036 0.000 0.801 422 E CB -0.013 29.790 29.700 0.170 0.000 0.746 422 E HN 0.548 nan 8.360 nan 0.000 0.450 423 E N 0.263 120.439 120.200 -0.039 0.000 2.204 423 E HA -0.170 4.180 4.350 -0.000 0.000 0.194 423 E C 2.036 178.609 176.600 -0.045 0.000 0.989 423 E CA 1.286 57.662 56.400 -0.041 0.000 0.824 423 E CB -0.284 29.387 29.700 -0.047 0.000 0.756 423 E HN 0.405 nan 8.360 nan 0.000 0.477 424 I N 0.636 121.179 120.570 -0.045 0.000 2.333 424 I HA -0.181 3.989 4.170 -0.000 0.000 0.246 424 I C 2.251 178.369 176.117 0.002 0.000 1.106 424 I CA 0.427 61.721 61.300 -0.011 0.000 1.411 424 I CB -0.074 37.918 38.000 -0.014 0.000 1.082 424 I HN 0.093 nan 8.210 nan 0.000 0.420 425 V N 1.141 121.046 119.914 -0.015 0.000 2.282 425 V HA -0.318 3.801 4.120 -0.000 0.000 0.249 425 V C 2.420 178.528 176.094 0.022 0.000 1.057 425 V CA 1.787 64.090 62.300 0.004 0.000 1.032 425 V CB -0.445 31.392 31.823 0.023 0.000 0.645 425 V HN 0.257 nan 8.190 nan 0.000 0.447 426 L N -0.304 120.934 121.223 0.024 0.000 1.961 426 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 426 L C 2.324 179.244 176.870 0.083 0.000 1.072 426 L CA 1.853 56.716 54.840 0.039 0.000 0.749 426 L CB -1.456 40.615 42.059 0.022 0.000 0.889 426 L HN 0.268 nan 8.230 nan 0.000 0.432 427 K N -0.691 119.749 120.400 0.067 0.000 2.097 427 K HA -0.239 4.081 4.320 -0.000 0.000 0.214 427 K C 2.009 178.770 176.600 0.268 0.000 1.052 427 K CA 1.919 58.325 56.287 0.198 0.000 0.932 427 K CB -0.648 31.856 32.500 0.008 0.000 0.716 427 K HN 0.142 nan 8.250 nan 0.000 0.455 428 V N 0.979 120.983 119.914 0.150 0.000 2.261 428 V HA -0.281 3.839 4.120 -0.000 0.000 0.246 428 V C 2.387 178.524 176.094 0.073 0.000 1.047 428 V CA 2.055 64.422 62.300 0.112 0.000 1.015 428 V CB -0.766 31.087 31.823 0.051 0.000 0.642 428 V HN 0.439 nan 8.190 nan 0.000 0.446 429 A N -0.106 122.741 122.820 0.044 0.000 1.892 429 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 429 A C 2.098 179.733 177.584 0.085 0.000 1.188 429 A CA 2.315 54.372 52.037 0.032 0.000 0.631 429 A CB -0.669 18.349 19.000 0.029 0.000 0.822 429 A HN 0.425 nan 8.150 nan 0.000 0.447 430 I N 0.070 120.701 120.570 0.103 0.000 2.053 430 I HA -0.312 3.858 4.170 -0.000 0.000 0.236 430 I C 2.490 178.632 176.117 0.041 0.000 1.038 430 I CA 1.654 63.004 61.300 0.083 0.000 1.304 430 I CB -0.714 37.377 38.000 0.153 0.000 1.023 430 I HN 0.339 nan 8.210 nan 0.000 0.395 431 L N -0.236 121.049 121.223 0.103 0.000 2.089 431 L HA -0.306 4.034 4.340 -0.000 0.000 0.213 431 L C 2.569 179.583 176.870 0.240 0.000 1.079 431 L CA 1.591 56.534 54.840 0.172 0.000 0.758 431 L CB -1.018 41.205 42.059 0.273 0.000 0.891 431 L HN 0.357 nan 8.230 nan 0.000 0.433 432 A N 0.869 123.791 122.820 0.169 0.000 1.854 432 A HA -0.198 4.122 4.320 -0.000 0.000 0.214 432 A C 2.158 179.875 177.584 0.221 0.000 1.192 432 A CA 1.350 53.471 52.037 0.140 0.000 0.611 432 A CB -0.481 18.373 19.000 -0.244 0.000 0.832 432 A HN 0.565 nan 8.150 nan 0.000 0.442 433 E N -0.185 120.127 120.200 0.185 0.000 2.511 433 E HA -0.085 4.265 4.350 -0.000 0.000 0.196 433 E C 1.555 178.088 176.600 -0.112 0.000 1.066 433 E CA 1.260 57.602 56.400 -0.096 0.000 0.871 433 E CB -0.056 29.606 29.700 -0.062 0.000 0.863 433 E HN 0.656 nan 8.360 nan 0.000 0.520 434 K N -0.416 119.922 120.400 -0.102 0.000 2.329 434 K HA 0.039 4.358 4.320 -0.000 0.000 0.198 434 K C 0.674 177.121 176.600 -0.255 0.000 1.085 434 K CA 0.238 56.357 56.287 -0.280 0.000 0.961 434 K CB 0.144 32.311 32.500 -0.556 0.000 0.971 434 K HN 0.222 nan 8.250 nan 0.000 0.502 435 Y N 0.712 121.085 120.300 0.122 0.000 2.531 435 Y HA 0.434 4.984 4.550 -0.000 0.000 0.249 435 Y C 0.148 176.126 175.900 0.129 0.000 1.168 435 Y CA -0.918 57.246 58.100 0.106 0.000 1.226 435 Y CB 1.141 39.651 38.460 0.083 0.000 1.177 435 Y HN 0.054 nan 8.280 nan 0.000 0.527 436 A N 0.744 123.761 122.820 0.329 0.000 2.401 436 A HA 0.372 4.692 4.320 -0.000 0.000 0.259 436 A C 1.109 178.830 177.584 0.227 0.000 1.103 436 A CA -0.062 52.164 52.037 0.315 0.000 0.789 436 A CB 0.363 19.455 19.000 0.153 0.000 1.035 436 A HN 0.251 nan 8.150 nan 0.000 0.491 437 V N -0.268 119.744 119.914 0.164 0.000 2.721 437 V HA 0.150 4.270 4.120 -0.000 0.000 0.236 437 V C 0.718 176.992 176.094 0.299 0.000 1.116 437 V CA 0.682 63.101 62.300 0.198 0.000 1.148 437 V CB -0.999 30.850 31.823 0.043 0.000 0.886 437 V HN 0.687 nan 8.190 nan 0.000 0.490 438 D N -0.418 120.095 120.400 0.189 0.000 2.338 438 D HA 0.136 4.775 4.640 -0.000 0.000 0.255 438 D C 0.310 176.836 176.300 0.377 0.000 1.237 438 D CA -0.006 54.130 54.000 0.226 0.000 0.883 438 D CB 0.883 41.746 40.800 0.106 0.000 1.087 438 D HN 0.341 nan 8.370 nan 0.000 0.485 439 Y N 1.373 121.773 120.300 0.166 0.000 2.519 439 Y HA -0.105 4.444 4.550 -0.000 0.000 0.287 439 Y C 2.587 178.626 175.900 0.232 0.000 1.128 439 Y CA 1.145 59.380 58.100 0.224 0.000 1.282 439 Y CB -0.242 38.301 38.460 0.138 0.000 1.027 439 Y HN 0.490 nan 8.280 nan 0.000 0.551 440 T N -3.680 110.984 114.554 0.184 0.000 2.929 440 T HA -0.257 4.093 4.350 -0.000 0.000 0.271 440 T C 1.687 176.455 174.700 0.113 0.000 1.085 440 T CA 1.181 63.242 62.100 -0.066 0.000 1.125 440 T CB -0.623 67.766 68.868 -0.797 0.000 0.874 440 T HN 0.577 nan 8.240 nan 0.000 0.494 441 W N 0.520 121.821 121.300 0.001 0.000 2.481 441 W HA 0.084 4.744 4.660 -0.000 0.000 0.293 441 W C 1.999 178.542 176.519 0.040 0.000 1.201 441 W CA 0.241 57.600 57.345 0.024 0.000 1.328 441 W CB -0.493 28.974 29.460 0.011 0.000 1.112 441 W HN 0.236 nan 8.180 nan 0.000 0.546 442 Y N 1.161 121.373 120.300 -0.147 0.000 2.014 442 Y HA -0.341 4.208 4.550 -0.000 0.000 0.270 442 Y C 2.339 178.082 175.900 -0.263 0.000 1.145 442 Y CA 3.201 61.032 58.100 -0.448 0.000 1.106 442 Y CB -1.201 37.006 38.460 -0.422 0.000 0.968 442 Y HN -0.156 nan 8.280 nan 0.000 0.484 443 V N 1.039 120.924 119.914 -0.049 0.000 2.250 443 V HA -0.391 3.729 4.120 -0.000 0.000 0.253 443 V C 2.222 178.244 176.094 -0.120 0.000 1.065 443 V CA 2.469 64.733 62.300 -0.060 0.000 1.039 443 V CB -0.860 31.127 31.823 0.275 0.000 0.647 443 V HN 0.513 nan 8.190 nan 0.000 0.446 444 D N -0.802 119.613 120.400 0.025 0.000 2.104 444 D HA -0.144 4.496 4.640 -0.000 0.000 0.194 444 D C 2.266 178.457 176.300 -0.183 0.000 0.994 444 D CA 1.881 55.893 54.000 0.021 0.000 0.830 444 D CB -0.299 40.596 40.800 0.158 0.000 0.959 444 D HN 0.465 nan 8.370 nan 0.000 0.452 445 T N 0.973 115.272 114.554 -0.425 0.000 2.595 445 T HA -0.156 4.194 4.350 -0.000 0.000 0.264 445 T C 2.005 176.475 174.700 -0.382 0.000 1.058 445 T CA 0.899 62.694 62.100 -0.509 0.000 1.166 445 T CB -0.275 68.052 68.868 -0.901 0.000 0.863 445 T HN 0.098 nan 8.240 nan 0.000 0.415 446 I N 1.808 122.075 120.570 -0.505 0.000 2.145 446 I HA -0.162 4.008 4.170 -0.000 0.000 0.244 446 I C 2.052 178.047 176.117 -0.203 0.000 1.075 446 I CA 1.542 62.618 61.300 -0.374 0.000 1.332 446 I CB -1.300 36.398 38.000 -0.504 0.000 1.033 446 I HN 0.336 nan 8.210 nan 0.000 0.410 447 L N -1.242 119.879 121.223 -0.171 0.000 2.627 447 L HA 0.180 4.520 4.340 -0.000 0.000 0.233 447 L C 1.428 178.254 176.870 -0.073 0.000 1.144 447 L CA 0.799 55.584 54.840 -0.091 0.000 0.892 447 L CB -1.798 40.227 42.059 -0.057 0.000 1.039 447 L HN 0.003 nan 8.230 nan 0.000 0.442 448 N N 0.535 119.181 118.700 -0.090 0.000 2.148 448 N HA -0.020 4.720 4.740 -0.000 0.000 0.186 448 N C 1.585 177.059 175.510 -0.060 0.000 1.031 448 N CA 1.275 54.285 53.050 -0.065 0.000 0.848 448 N CB -0.343 38.103 38.487 -0.068 0.000 1.005 448 N HN 0.255 nan 8.380 nan 0.000 0.427 449 L N 1.209 122.388 121.223 -0.073 0.000 1.978 449 L HA -0.190 4.149 4.340 -0.000 0.000 0.218 449 L C 2.101 178.952 176.870 -0.031 0.000 1.075 449 L CA 1.431 56.240 54.840 -0.052 0.000 0.767 449 L CB -0.780 41.246 42.059 -0.056 0.000 0.890 449 L HN 0.210 nan 8.230 nan 0.000 0.434 450 I N -1.376 119.177 120.570 -0.028 0.000 2.163 450 I HA -0.346 3.824 4.170 -0.000 0.000 0.243 450 I C 2.752 178.864 176.117 -0.008 0.000 1.085 450 I CA 1.311 62.607 61.300 -0.006 0.000 1.347 450 I CB -0.430 37.554 38.000 -0.026 0.000 1.044 450 I HN 0.278 nan 8.210 nan 0.000 0.408 451 R N 1.330 121.814 120.500 -0.027 0.000 2.147 451 R HA -0.087 4.253 4.340 -0.000 0.000 0.225 451 R C 0.781 177.063 176.300 -0.030 0.000 1.120 451 R CA 1.583 57.668 56.100 -0.026 0.000 0.891 451 R CB -0.094 30.188 30.300 -0.031 0.000 0.822 451 R HN 0.214 nan 8.270 nan 0.000 0.433 452 I N 0.074 120.620 120.570 -0.040 0.000 2.460 452 I HA 0.301 4.470 4.170 -0.000 0.000 0.277 452 I C -0.358 175.717 176.117 -0.069 0.000 1.057 452 I CA 0.030 61.297 61.300 -0.054 0.000 1.179 452 I CB 1.725 39.697 38.000 -0.045 0.000 1.329 452 I HN 0.639 nan 8.210 nan 0.000 0.478 453 A N 3.983 126.755 122.820 -0.081 0.000 2.533 453 A HA -0.010 4.309 4.320 -0.000 0.000 0.218 453 A C 1.448 179.017 177.584 -0.025 0.000 2.851 453 A CA 0.211 52.211 52.037 -0.061 0.000 1.585 453 A CB -1.528 17.429 19.000 -0.071 0.000 0.169 453 A HN 0.706 nan 8.150 nan 0.000 0.564 454 G N 0.292 109.025 108.800 -0.112 0.000 2.462 454 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.220 454 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.220 454 G C 0.892 175.642 174.900 -0.251 0.000 1.121 454 G CA 1.469 46.517 45.100 -0.086 0.000 0.758 454 G HN 0.487 nan 8.290 nan 0.000 0.559 455 D N -0.567 119.423 120.400 -0.682 0.000 2.354 455 D HA -0.061 4.579 4.640 -0.000 0.000 0.216 455 D C 0.923 176.837 176.300 -0.643 0.000 0.970 455 D CA 0.743 54.303 54.000 -0.734 0.000 0.905 455 D CB -0.003 40.278 40.800 -0.863 0.000 0.903 455 D HN 0.551 nan 8.370 nan 0.000 0.508 456 Y N -0.999 119.236 120.300 -0.108 0.000 2.500 456 Y HA 0.193 4.743 4.550 -0.000 0.000 0.246 456 Y C 0.525 176.411 175.900 -0.023 0.000 1.146 456 Y CA -0.335 57.725 58.100 -0.066 0.000 1.230 456 Y CB 0.932 39.325 38.460 -0.110 0.000 1.214 456 Y HN -0.280 nan 8.280 nan 0.000 0.526 457 V N 2.417 122.386 119.914 0.091 0.000 2.408 457 V HA 0.292 4.411 4.120 -0.000 0.000 0.267 457 V C 0.334 176.495 176.094 0.111 0.000 1.047 457 V CA -0.551 61.808 62.300 0.098 0.000 0.937 457 V CB 0.027 31.912 31.823 0.103 0.000 0.999 457 V HN 0.363 nan 8.190 nan 0.000 0.472 458 S N 5.289 121.023 115.700 0.057 0.000 2.634 458 S HA 0.317 4.787 4.470 -0.000 0.000 0.261 458 S C 0.981 175.520 174.600 -0.101 0.000 1.271 458 S CA -0.522 57.674 58.200 -0.006 0.000 0.985 458 S CB 0.810 63.981 63.200 -0.048 0.000 0.968 458 S HN 0.780 nan 8.310 nan 0.000 0.568 459 E N 1.042 121.052 120.200 -0.317 0.000 2.072 459 E HA -0.181 4.169 4.350 -0.000 0.000 0.191 459 E C 1.840 177.658 176.600 -1.303 0.000 0.985 459 E CA 1.274 57.071 56.400 -1.006 0.000 0.801 459 E CB -0.326 28.758 29.700 -1.027 0.000 0.750 459 E HN 0.698 nan 8.360 nan 0.000 0.452 460 E N 0.595 120.399 120.200 -0.660 0.000 2.114 460 E HA -0.200 4.150 4.350 -0.000 0.000 0.199 460 E C 2.269 178.712 176.600 -0.263 0.000 1.008 460 E CA 1.857 58.036 56.400 -0.368 0.000 0.810 460 E CB -0.312 29.291 29.700 -0.162 0.000 0.739 460 E HN 0.169 nan 8.360 nan 0.000 0.456 461 V N 0.666 120.470 119.914 -0.184 0.000 2.295 461 V HA -0.241 3.879 4.120 -0.000 0.000 0.246 461 V C 2.247 178.355 176.094 0.024 0.000 1.049 461 V CA 2.029 64.307 62.300 -0.037 0.000 1.024 461 V CB -1.429 30.407 31.823 0.022 0.000 0.648 461 V HN 0.540 nan 8.190 nan 0.000 0.447 462 W N -0.655 120.586 121.300 -0.099 0.000 2.476 462 W HA -0.015 4.645 4.660 -0.000 0.000 0.281 462 W C 2.301 178.851 176.519 0.051 0.000 1.230 462 W CA 0.484 57.804 57.345 -0.042 0.000 1.287 462 W CB -1.261 28.162 29.460 -0.062 0.000 1.108 462 W HN 0.280 nan 8.180 nan 0.000 0.567 463 Y N 1.696 121.645 120.300 -0.586 0.000 2.040 463 Y HA -0.369 4.181 4.550 -0.000 0.000 0.275 463 Y C 3.066 178.793 175.900 -0.288 0.000 1.171 463 Y CA 1.883 59.639 58.100 -0.574 0.000 1.123 463 Y CB -0.660 37.416 38.460 -0.638 0.000 0.963 463 Y HN -0.117 nan 8.280 nan 0.000 0.493 464 R N 0.969 121.461 120.500 -0.012 0.000 2.117 464 R HA -0.193 4.147 4.340 -0.000 0.000 0.243 464 R C 2.100 178.480 176.300 0.134 0.000 1.143 464 R CA 1.908 58.012 56.100 0.007 0.000 0.968 464 R CB -1.016 29.315 30.300 0.052 0.000 0.863 464 R HN 0.418 nan 8.270 nan 0.000 0.444 465 V N -1.885 118.179 119.914 0.250 0.000 2.307 465 V HA -0.134 3.986 4.120 -0.000 0.000 0.245 465 V C 2.182 178.450 176.094 0.290 0.000 1.045 465 V CA 1.861 64.382 62.300 0.368 0.000 1.024 465 V CB -0.673 31.310 31.823 0.267 0.000 0.651 465 V HN 0.273 nan 8.190 nan 0.000 0.449 466 I N 0.148 120.863 120.570 0.241 0.000 2.163 466 I HA -0.319 3.851 4.170 -0.000 0.000 0.243 466 I C 2.940 179.168 176.117 0.184 0.000 1.085 466 I CA 2.410 63.861 61.300 0.251 0.000 1.347 466 I CB -0.416 37.656 38.000 0.119 0.000 1.044 466 I HN 0.416 nan 8.210 nan 0.000 0.408 467 Q N 0.790 120.547 119.800 -0.072 0.000 1.998 467 Q HA -0.266 4.074 4.340 -0.000 0.000 0.209 467 Q C 2.276 178.338 176.000 0.104 0.000 1.002 467 Q CA 2.358 58.050 55.803 -0.185 0.000 0.858 467 Q CB -0.169 28.307 28.738 -0.436 0.000 0.932 467 Q HN 0.479 nan 8.270 nan 0.000 0.416 468 I N -0.462 120.179 120.570 0.118 0.000 2.226 468 I HA -0.265 3.904 4.170 -0.000 0.000 0.245 468 I C 2.152 178.395 176.117 0.212 0.000 1.100 468 I CA 0.705 62.094 61.300 0.149 0.000 1.374 468 I CB -0.156 37.909 38.000 0.108 0.000 1.057 468 I HN 0.134 nan 8.210 nan 0.000 0.413 469 V N 0.910 120.990 119.914 0.276 0.000 2.490 469 V HA -0.277 3.843 4.120 -0.000 0.000 0.250 469 V C 2.229 178.460 176.094 0.228 0.000 1.061 469 V CA 1.798 64.249 62.300 0.252 0.000 1.064 469 V CB -0.324 31.695 31.823 0.327 0.000 0.670 469 V HN 0.342 nan 8.190 nan 0.000 0.461 470 I N 0.037 120.833 120.570 0.377 0.000 2.353 470 I HA -0.153 4.017 4.170 -0.000 0.000 0.248 470 I C 2.247 178.523 176.117 0.266 0.000 1.119 470 I CA 1.037 62.609 61.300 0.454 0.000 1.417 470 I CB -0.282 38.043 38.000 0.542 0.000 1.078 470 I HN 0.356 nan 8.210 nan 0.000 0.421 471 N N 0.824 119.645 118.700 0.202 0.000 2.083 471 N HA -0.032 4.708 4.740 -0.000 0.000 0.190 471 N C 0.483 176.022 175.510 0.048 0.000 1.047 471 N CA 0.956 54.077 53.050 0.117 0.000 0.845 471 N CB -0.225 38.317 38.487 0.092 0.000 1.025 471 N HN 0.097 nan 8.380 nan 0.000 0.428 472 R N 1.828 122.340 120.500 0.020 0.000 2.442 472 R HA 0.028 4.368 4.340 -0.000 0.000 0.291 472 R C 0.459 176.739 176.300 -0.033 0.000 1.069 472 R CA 0.018 56.096 56.100 -0.037 0.000 1.022 472 R CB 0.620 30.873 30.300 -0.079 0.000 0.976 472 R HN 0.274 nan 8.270 nan 0.000 0.443 473 D N 1.533 121.907 120.400 -0.043 0.000 2.262 473 D HA -0.123 4.517 4.640 -0.000 0.000 0.212 473 D C 0.888 177.160 176.300 -0.047 0.000 0.964 473 D CA 0.668 54.631 54.000 -0.062 0.000 0.875 473 D CB 0.217 40.998 40.800 -0.033 0.000 0.996 473 D HN 0.603 nan 8.370 nan 0.000 0.497 474 D N 0.821 121.208 120.400 -0.021 0.000 2.417 474 D HA -0.129 4.511 4.640 -0.000 0.000 0.225 474 D C 1.520 177.846 176.300 0.044 0.000 0.983 474 D CA 0.848 54.851 54.000 0.006 0.000 0.949 474 D CB 0.030 40.830 40.800 0.001 0.000 0.879 474 D HN 0.301 nan 8.370 nan 0.000 0.520 475 V N -4.644 115.298 119.914 0.048 0.000 3.497 475 V HA 0.116 4.235 4.120 -0.000 0.000 0.272 475 V C 2.242 178.378 176.094 0.070 0.000 1.474 475 V CA -0.197 62.183 62.300 0.134 0.000 1.025 475 V CB -0.161 31.795 31.823 0.221 0.000 0.820 475 V HN -0.104 nan 8.190 nan 0.000 0.437 476 Q N 2.037 121.758 119.800 -0.131 0.000 2.112 476 Q HA -0.101 4.238 4.340 -0.000 0.000 0.206 476 Q C 2.252 178.190 176.000 -0.104 0.000 0.987 476 Q CA 2.553 58.122 55.803 -0.389 0.000 0.858 476 Q CB -0.553 27.642 28.738 -0.906 0.000 0.905 476 Q HN 0.762 nan 8.270 nan 0.000 0.420 477 G N -0.101 108.696 108.800 -0.006 0.000 2.421 477 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.216 477 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.216 477 G C 1.191 176.159 174.900 0.113 0.000 1.171 477 G CA 0.838 45.979 45.100 0.068 0.000 0.775 477 G HN 0.414 nan 8.290 nan 0.000 0.543 478 Y N 2.124 122.450 120.300 0.044 0.000 2.165 478 Y HA -0.021 4.529 4.550 -0.000 0.000 0.286 478 Y C 2.859 178.815 175.900 0.094 0.000 1.155 478 Y CA 1.411 59.554 58.100 0.071 0.000 1.164 478 Y CB -0.360 38.147 38.460 0.079 0.000 0.978 478 Y HN 0.249 nan 8.280 nan 0.000 0.513 479 A N 0.486 123.345 122.820 0.065 0.000 1.898 479 A HA -0.075 4.245 4.320 -0.000 0.000 0.216 479 A C 2.430 180.040 177.584 0.043 0.000 1.181 479 A CA 1.827 53.884 52.037 0.033 0.000 0.620 479 A CB -1.474 17.627 19.000 0.168 0.000 0.819 479 A HN 0.610 nan 8.150 nan 0.000 0.442 480 A N -0.389 122.493 122.820 0.103 0.000 1.898 480 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 480 A C 2.142 179.785 177.584 0.098 0.000 1.181 480 A CA 1.887 54.017 52.037 0.155 0.000 0.620 480 A CB -0.437 18.677 19.000 0.189 0.000 0.819 480 A HN 0.524 nan 8.150 nan 0.000 0.442 481 K N -0.873 119.539 120.400 0.021 0.000 1.985 481 K HA -0.146 4.174 4.320 -0.000 0.000 0.210 481 K C 2.138 178.741 176.600 0.006 0.000 1.047 481 K CA 1.984 58.277 56.287 0.010 0.000 0.932 481 K CB -0.408 32.077 32.500 -0.024 0.000 0.716 481 K HN 0.458 nan 8.250 nan 0.000 0.439 482 T N 0.981 115.418 114.554 -0.195 0.000 2.652 482 T HA -0.144 4.205 4.350 -0.000 0.000 0.267 482 T C 1.891 176.559 174.700 -0.054 0.000 1.039 482 T CA 1.426 63.394 62.100 -0.220 0.000 1.153 482 T CB -0.334 68.228 68.868 -0.510 0.000 0.863 482 T HN 0.003 nan 8.240 nan 0.000 0.428 483 V N 1.056 120.966 119.914 -0.007 0.000 2.317 483 V HA -0.201 3.919 4.120 -0.000 0.000 0.251 483 V C 2.016 178.172 176.094 0.103 0.000 1.065 483 V CA 1.868 64.203 62.300 0.058 0.000 1.049 483 V CB -0.652 31.239 31.823 0.114 0.000 0.651 483 V HN 0.492 nan 8.190 nan 0.000 0.450 484 F N 0.820 120.773 119.950 0.006 0.000 2.234 484 F HA -0.135 4.392 4.527 -0.000 0.000 0.299 484 F C 2.257 178.060 175.800 0.005 0.000 1.087 484 F CA 1.961 59.974 58.000 0.022 0.000 1.340 484 F CB -0.064 38.952 39.000 0.027 0.000 1.031 484 F HN 0.284 nan 8.300 nan 0.000 0.500 485 E N -0.227 119.989 120.200 0.027 0.000 2.122 485 E HA -0.023 4.327 4.350 -0.000 0.000 0.190 485 E C 2.339 178.886 176.600 -0.088 0.000 0.977 485 E CA 0.707 57.075 56.400 -0.053 0.000 0.820 485 E CB -0.333 29.386 29.700 0.031 0.000 0.770 485 E HN 0.403 nan 8.360 nan 0.000 0.462 486 A N 1.250 124.035 122.820 -0.059 0.000 2.015 486 A HA -0.093 4.226 4.320 -0.000 0.000 0.219 486 A C 2.056 179.591 177.584 -0.082 0.000 1.163 486 A CA 0.802 52.804 52.037 -0.058 0.000 0.646 486 A CB -0.427 18.549 19.000 -0.041 0.000 0.806 486 A HN 0.151 nan 8.150 nan 0.000 0.448 487 L N -0.463 120.691 121.223 -0.114 0.000 2.552 487 L HA -0.083 4.256 4.340 -0.000 0.000 0.227 487 L C 2.219 178.984 176.870 -0.175 0.000 1.146 487 L CA 0.313 55.074 54.840 -0.131 0.000 0.858 487 L CB -0.152 41.830 42.059 -0.127 0.000 0.969 487 L HN 0.403 nan 8.230 nan 0.000 0.451 488 Q N 0.122 119.801 119.800 -0.202 0.000 2.311 488 Q HA 0.117 4.456 4.340 -0.000 0.000 0.203 488 Q C 1.023 176.957 176.000 -0.110 0.000 0.954 488 Q CA 0.419 56.108 55.803 -0.190 0.000 0.885 488 Q CB -0.065 28.554 28.738 -0.200 0.000 0.963 488 Q HN 0.396 nan 8.270 nan 0.000 0.471 489 A N 2.261 125.030 122.820 -0.086 0.000 2.498 489 A HA 0.182 4.502 4.320 -0.000 0.000 0.239 489 A C -1.460 176.092 177.584 -0.053 0.000 1.068 489 A CA -0.852 51.150 52.037 -0.057 0.000 0.766 489 A CB 0.110 19.083 19.000 -0.045 0.000 1.003 489 A HN 0.019 nan 8.150 nan 0.000 0.497 490 P HA 0.070 nan 4.420 nan 0.000 0.226 490 P C 1.288 178.570 177.300 -0.030 0.000 1.161 490 P CA 1.401 64.480 63.100 -0.035 0.000 0.804 490 P CB 0.298 31.982 31.700 -0.027 0.000 0.829 491 A N 0.424 123.230 122.820 -0.024 0.000 1.849 491 A HA 0.092 4.412 4.320 -0.000 0.000 0.214 491 A C 0.755 178.330 177.584 -0.016 0.000 1.269 491 A CA 1.004 53.032 52.037 -0.016 0.000 0.605 491 A CB -1.366 17.629 19.000 -0.009 0.000 0.937 491 A HN 0.467 nan 8.150 nan 0.000 0.461 492 C N -0.003 119.289 119.300 -0.013 0.000 0.737 492 C HA -0.181 4.278 4.460 -0.000 0.000 0.236 492 C C 0.438 175.441 174.990 0.022 0.000 0.599 492 C CA -0.079 58.933 59.018 -0.009 0.000 2.198 492 C CB -2.768 24.949 27.740 -0.039 0.000 2.977 492 C HN 0.896 nan 8.230 nan 0.000 0.898 493 H N 2.264 121.281 119.070 -0.089 0.000 2.895 493 H HA 0.028 4.584 4.556 -0.000 0.000 0.371 493 H C 1.192 176.440 175.328 -0.132 0.000 1.219 493 H CA 1.039 57.023 56.048 -0.106 0.000 1.431 493 H CB 0.507 30.203 29.762 -0.112 0.000 1.414 493 H HN 0.946 nan 8.280 nan 0.000 0.617 494 E N 1.620 121.410 120.200 -0.683 0.000 2.150 494 E HA -0.181 4.168 4.350 -0.000 0.000 0.193 494 E C 1.358 177.636 176.600 -0.536 0.000 0.985 494 E CA 0.905 56.988 56.400 -0.528 0.000 0.814 494 E CB 0.116 29.508 29.700 -0.513 0.000 0.752 494 E HN 0.551 nan 8.360 nan 0.000 0.466 495 N N 0.407 118.714 118.700 -0.655 0.000 2.289 495 N HA -0.154 4.586 4.740 -0.000 0.000 0.184 495 N C 1.625 176.860 175.510 -0.457 0.000 1.016 495 N CA 0.559 53.258 53.050 -0.585 0.000 0.872 495 N CB -0.154 38.092 38.487 -0.402 0.000 0.973 495 N HN 0.224 nan 8.380 nan 0.000 0.433 496 L N 0.232 121.294 121.223 -0.268 0.000 2.027 496 L HA -0.078 4.262 4.340 -0.000 0.000 0.206 496 L C 1.908 178.667 176.870 -0.185 0.000 1.074 496 L CA 0.958 55.691 54.840 -0.179 0.000 0.745 496 L CB -0.286 41.714 42.059 -0.099 0.000 0.898 496 L HN -0.106 nan 8.230 nan 0.000 0.433 497 V N -0.363 119.432 119.914 -0.199 0.000 2.469 497 V HA -0.343 3.777 4.120 -0.000 0.000 0.251 497 V C 2.507 178.491 176.094 -0.183 0.000 1.064 497 V CA 2.026 64.232 62.300 -0.158 0.000 1.066 497 V CB -0.755 30.976 31.823 -0.153 0.000 0.667 497 V HN 0.440 nan 8.190 nan 0.000 0.461 498 K N -0.269 119.924 120.400 -0.346 0.000 1.984 498 K HA -0.108 4.212 4.320 -0.000 0.000 0.209 498 K C 2.112 178.546 176.600 -0.276 0.000 1.046 498 K CA 1.459 57.483 56.287 -0.439 0.000 0.934 498 K CB -0.519 31.373 32.500 -1.012 0.000 0.717 498 K HN 0.275 nan 8.250 nan 0.000 0.438 499 V N 0.934 120.647 119.914 -0.335 0.000 2.332 499 V HA -0.240 3.880 4.120 -0.000 0.000 0.248 499 V C 2.281 178.444 176.094 0.115 0.000 1.055 499 V CA 2.277 64.577 62.300 -0.001 0.000 1.038 499 V CB -0.969 30.860 31.823 0.010 0.000 0.651 499 V HN 0.579 nan 8.190 nan 0.000 0.450 500 G N -0.254 108.571 108.800 0.041 0.000 2.414 500 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.215 500 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.215 500 G C 1.658 176.643 174.900 0.142 0.000 1.188 500 G CA 0.840 45.999 45.100 0.098 0.000 0.783 500 G HN 0.576 nan 8.290 nan 0.000 0.537 501 G N -0.180 108.680 108.800 0.100 0.000 2.440 501 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.218 501 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.218 501 G C 1.656 176.627 174.900 0.119 0.000 1.154 501 G CA 1.202 46.361 45.100 0.098 0.000 0.767 501 G HN 0.423 nan 8.290 nan 0.000 0.552 502 Y N 0.993 121.336 120.300 0.073 0.000 2.114 502 Y HA -0.054 4.496 4.550 -0.000 0.000 0.284 502 Y C 2.646 178.601 175.900 0.093 0.000 1.143 502 Y CA 1.485 59.641 58.100 0.094 0.000 1.135 502 Y CB -0.212 38.348 38.460 0.167 0.000 0.980 502 Y HN 0.164 nan 8.280 nan 0.000 0.499 503 I N -0.182 120.558 120.570 0.283 0.000 2.335 503 I HA -0.338 3.831 4.170 -0.000 0.000 0.251 503 I C 1.947 178.185 176.117 0.202 0.000 1.129 503 I CA 1.313 62.792 61.300 0.297 0.000 1.402 503 I CB -0.246 37.990 38.000 0.393 0.000 1.069 503 I HN 0.283 nan 8.210 nan 0.000 0.424 504 L N -0.545 120.796 121.223 0.198 0.000 2.418 504 L HA 0.065 4.405 4.340 -0.000 0.000 0.218 504 L C 2.503 179.578 176.870 0.342 0.000 1.125 504 L CA 0.728 55.748 54.840 0.300 0.000 0.835 504 L CB -0.821 41.494 42.059 0.428 0.000 0.953 504 L HN 0.256 nan 8.230 nan 0.000 0.454 505 G N -0.434 108.401 108.800 0.058 0.000 2.403 505 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.216 505 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.216 505 G C 1.527 176.309 174.900 -0.198 0.000 1.154 505 G CA 0.276 45.352 45.100 -0.039 0.000 0.784 505 G HN 0.176 nan 8.290 nan 0.000 0.538 506 E N 0.115 120.012 120.200 -0.505 0.000 2.024 506 E HA 0.136 4.485 4.350 -0.000 0.000 0.190 506 E C 0.826 177.027 176.600 -0.664 0.000 0.974 506 E CA 0.346 56.255 56.400 -0.818 0.000 0.810 506 E CB -0.172 28.618 29.700 -1.518 0.000 0.775 506 E HN 0.419 nan 8.360 nan 0.000 0.453 507 F N -1.197 118.785 119.950 0.053 0.000 2.355 507 F HA 0.500 5.027 4.527 -0.000 0.000 0.340 507 F C 1.742 177.619 175.800 0.128 0.000 1.067 507 F CA -0.159 57.892 58.000 0.085 0.000 1.116 507 F CB 0.342 39.401 39.000 0.098 0.000 1.582 507 F HN 0.237 nan 8.300 nan 0.000 0.512 508 G N 0.299 109.285 108.800 0.310 0.000 2.258 508 G HA2 -0.395 3.564 3.960 -0.000 0.000 0.233 508 G HA3 -0.395 3.564 3.960 -0.000 0.000 0.233 508 G C 0.882 175.896 174.900 0.191 0.000 1.006 508 G CA 0.605 45.834 45.100 0.215 0.000 0.620 508 G HN 0.883 nan 8.290 nan 0.000 0.511 509 N N 0.871 119.741 118.700 0.284 0.000 2.364 509 N HA 0.092 4.832 4.740 -0.000 0.000 0.183 509 N C 1.798 177.408 175.510 0.167 0.000 1.022 509 N CA 1.726 55.001 53.050 0.375 0.000 0.883 509 N CB -0.317 38.308 38.487 0.229 0.000 0.965 509 N HN 0.785 nan 8.380 nan 0.000 0.438 510 L N -2.028 119.279 121.223 0.141 0.000 2.688 510 L HA 0.433 4.773 4.340 -0.000 0.000 0.234 510 L C 0.707 177.600 176.870 0.039 0.000 1.192 510 L CA 0.420 55.314 54.840 0.090 0.000 0.984 510 L CB -0.500 41.625 42.059 0.109 0.000 1.232 510 L HN 0.314 nan 8.230 nan 0.000 0.465 511 I N -0.454 120.110 120.570 -0.009 0.000 4.620 511 I HA 0.285 4.455 4.170 -0.000 0.000 0.347 511 I C 1.316 177.329 176.117 -0.173 0.000 1.302 511 I CA 0.379 61.630 61.300 -0.082 0.000 1.277 511 I CB 0.719 38.663 38.000 -0.093 0.000 1.566 511 I HN 0.267 nan 8.210 nan 0.000 0.547 512 A N 0.067 122.786 122.820 -0.169 0.000 2.307 512 A HA 0.394 4.713 4.320 -0.000 0.000 0.218 512 A C 1.838 179.292 177.584 -0.216 0.000 1.228 512 A CA 0.724 52.587 52.037 -0.290 0.000 0.857 512 A CB -0.487 18.216 19.000 -0.495 0.000 0.897 512 A HN 0.405 nan 8.150 nan 0.000 0.495 513 G N -0.208 108.513 108.800 -0.131 0.000 2.456 513 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.213 513 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.213 513 G C 0.490 175.331 174.900 -0.097 0.000 1.215 513 G CA 0.583 45.627 45.100 -0.093 0.000 0.805 513 G HN 0.450 nan 8.290 nan 0.000 0.537 514 D N 1.166 121.511 120.400 -0.092 0.000 2.531 514 D HA 0.120 4.760 4.640 -0.000 0.000 0.239 514 D C -1.454 174.777 176.300 -0.114 0.000 1.144 514 D CA -1.606 52.343 54.000 -0.085 0.000 0.869 514 D CB 1.640 42.394 40.800 -0.077 0.000 1.160 514 D HN 0.037 nan 8.370 nan 0.000 0.484 515 P HA 0.028 nan 4.420 nan 0.000 0.241 515 P C 1.278 178.544 177.300 -0.056 0.000 1.191 515 P CA -0.044 63.007 63.100 -0.082 0.000 0.771 515 P CB 0.278 31.946 31.700 -0.053 0.000 0.929 516 R N 1.015 121.488 120.500 -0.044 0.000 2.154 516 R HA -0.102 4.237 4.340 -0.000 0.000 0.248 516 R C 0.740 177.032 176.300 -0.013 0.000 1.155 516 R CA 1.936 58.038 56.100 0.003 0.000 0.979 516 R CB -0.714 29.586 30.300 -0.000 0.000 0.869 516 R HN 0.298 nan 8.270 nan 0.000 0.452 517 S N -1.350 114.225 115.700 -0.208 0.000 2.701 517 S HA 0.102 4.572 4.470 -0.000 0.000 0.228 517 S C -0.168 174.206 174.600 -0.378 0.000 0.948 517 S CA -0.432 57.458 58.200 -0.517 0.000 1.129 517 S CB 0.335 62.831 63.200 -1.174 0.000 1.352 517 S HN 0.177 nan 8.310 nan 0.000 0.446 518 S N 2.985 118.551 115.700 -0.223 0.000 2.554 518 S HA 0.138 4.607 4.470 -0.000 0.000 0.290 518 S C -0.525 173.874 174.600 -0.334 0.000 1.309 518 S CA -0.158 57.893 58.200 -0.248 0.000 1.047 518 S CB 0.429 63.539 63.200 -0.149 0.000 0.828 518 S HN 0.362 nan 8.310 nan 0.000 0.509 519 P HA -0.203 nan 4.420 nan 0.000 0.214 519 P C 1.770 178.897 177.300 -0.290 0.000 1.169 519 P CA 1.212 63.838 63.100 -0.790 0.000 0.908 519 P CB -0.185 30.820 31.700 -1.158 0.000 0.791 520 L N -1.159 119.964 121.223 -0.167 0.000 2.127 520 L HA -0.148 4.192 4.340 -0.000 0.000 0.211 520 L C 2.333 179.265 176.870 0.102 0.000 1.089 520 L CA 1.813 56.658 54.840 0.008 0.000 0.757 520 L CB -1.191 40.859 42.059 -0.015 0.000 0.899 520 L HN -0.180 nan 8.230 nan 0.000 0.434 521 I N -0.291 120.308 120.570 0.048 0.000 2.286 521 I HA -0.261 3.909 4.170 -0.000 0.000 0.248 521 I C 2.527 178.787 176.117 0.239 0.000 1.115 521 I CA 1.377 62.753 61.300 0.127 0.000 1.392 521 I CB -1.203 36.864 38.000 0.113 0.000 1.065 521 I HN 0.521 nan 8.210 nan 0.000 0.418 522 Q N -0.699 119.246 119.800 0.243 0.000 2.049 522 Q HA -0.211 4.129 4.340 -0.000 0.000 0.198 522 Q C 2.307 178.563 176.000 0.426 0.000 0.971 522 Q CA 1.401 57.449 55.803 0.409 0.000 0.833 522 Q CB -0.468 28.474 28.738 0.339 0.000 0.896 522 Q HN 0.423 nan 8.270 nan 0.000 0.434 523 F N 2.740 122.886 119.950 0.327 0.000 2.095 523 F HA -0.228 4.299 4.527 -0.000 0.000 0.298 523 F C 1.754 177.611 175.800 0.095 0.000 1.104 523 F CA 1.434 59.563 58.000 0.215 0.000 1.232 523 F CB -0.220 38.860 39.000 0.133 0.000 0.987 523 F HN 0.010 nan 8.300 nan 0.000 0.475 524 N N 0.842 119.571 118.700 0.048 0.000 2.166 524 N HA -0.179 4.560 4.740 -0.000 0.000 0.186 524 N C 1.914 177.402 175.510 -0.037 0.000 1.019 524 N CA 1.478 54.502 53.050 -0.043 0.000 0.856 524 N CB -0.726 37.815 38.487 0.090 0.000 0.993 524 N HN 0.396 nan 8.380 nan 0.000 0.426 525 L N 1.090 122.339 121.223 0.043 0.000 2.017 525 L HA -0.037 4.302 4.340 -0.000 0.000 0.208 525 L C 2.003 178.878 176.870 0.008 0.000 1.073 525 L CA 1.357 56.211 54.840 0.023 0.000 0.745 525 L CB -0.649 41.438 42.059 0.046 0.000 0.894 525 L HN 0.082 nan 8.230 nan 0.000 0.432 526 L N -1.160 120.087 121.223 0.039 0.000 2.005 526 L HA -0.244 4.096 4.340 -0.000 0.000 0.207 526 L C 2.689 179.598 176.870 0.064 0.000 1.072 526 L CA 1.657 56.539 54.840 0.071 0.000 0.744 526 L CB -1.047 41.109 42.059 0.162 0.000 0.895 526 L HN 0.450 nan 8.230 nan 0.000 0.433 527 H N -0.100 118.833 119.070 -0.228 0.000 2.518 527 H HA -0.158 4.398 4.556 -0.000 0.000 0.292 527 H C 2.356 177.663 175.328 -0.034 0.000 1.068 527 H CA 1.403 57.324 56.048 -0.211 0.000 1.275 527 H CB 0.411 29.756 29.762 -0.694 0.000 1.375 527 H HN 0.410 nan 8.280 nan 0.000 0.563 528 S N 0.119 115.784 115.700 -0.057 0.000 2.428 528 S HA -0.043 4.427 4.470 -0.000 0.000 0.230 528 S C 1.727 176.305 174.600 -0.036 0.000 1.014 528 S CA 0.457 58.628 58.200 -0.049 0.000 0.957 528 S CB 0.039 63.224 63.200 -0.025 0.000 0.784 528 S HN 0.380 nan 8.310 nan 0.000 0.499 529 K N -0.341 120.047 120.400 -0.019 0.000 2.400 529 K HA 0.174 4.494 4.320 -0.000 0.000 0.194 529 K C 1.380 177.962 176.600 -0.030 0.000 1.033 529 K CA 0.155 56.425 56.287 -0.028 0.000 1.021 529 K CB -0.215 32.264 32.500 -0.035 0.000 0.808 529 K HN 0.431 nan 8.250 nan 0.000 0.505 530 F N 2.104 121.935 119.950 -0.198 0.000 2.039 530 F HA -0.134 4.393 4.527 -0.000 0.000 0.294 530 F C 1.519 177.157 175.800 -0.269 0.000 1.130 530 F CA 1.392 59.229 58.000 -0.272 0.000 1.189 530 F CB -0.069 38.693 39.000 -0.397 0.000 0.983 530 F HN 0.108 nan 8.300 nan 0.000 0.471 531 H N 3.262 122.343 119.070 0.017 0.000 3.775 531 H HA 0.218 4.773 4.556 -0.000 0.000 0.200 531 H C 0.255 175.524 175.328 -0.097 0.000 1.655 531 H CA 0.989 57.008 56.048 -0.049 0.000 1.359 531 H CB -1.021 28.752 29.762 0.020 0.000 1.643 531 H HN 0.472 nan 8.280 nan 0.000 0.706 532 L N -2.617 118.566 121.223 -0.066 0.000 3.722 532 L HA 0.168 4.508 4.340 -0.000 0.000 0.413 532 L C -1.318 175.475 176.870 -0.128 0.000 1.174 532 L CA -0.177 54.619 54.840 -0.072 0.000 1.298 532 L CB -0.968 41.069 42.059 -0.036 0.000 1.316 532 L HN 0.055 nan 8.230 nan 0.000 0.550 533 C N 1.374 120.547 119.300 -0.212 0.000 2.470 533 C HA 0.734 5.194 4.460 -0.000 0.000 0.341 533 C C 1.479 176.331 174.990 -0.229 0.000 1.190 533 C CA 0.298 59.179 59.018 -0.228 0.000 1.904 533 C CB 1.933 29.509 27.740 -0.274 0.000 2.354 533 C HN 0.724 nan 8.230 nan 0.000 0.509 534 S N 1.281 116.870 115.700 -0.186 0.000 2.572 534 S HA 0.076 4.546 4.470 -0.000 0.000 0.267 534 S C 1.015 175.509 174.600 -0.176 0.000 1.361 534 S CA -0.215 57.895 58.200 -0.150 0.000 1.009 534 S CB 0.348 63.479 63.200 -0.116 0.000 0.888 534 S HN 0.555 nan 8.310 nan 0.000 0.553 535 V N 2.763 122.597 119.914 -0.133 0.000 2.287 535 V HA -0.091 4.029 4.120 -0.000 0.000 0.248 535 V C -0.528 175.502 176.094 -0.106 0.000 1.053 535 V CA 2.114 64.337 62.300 -0.130 0.000 1.027 535 V CB -1.922 29.854 31.823 -0.078 0.000 0.646 535 V HN 0.766 nan 8.190 nan 0.000 0.447 536 P HA -0.141 nan 4.420 nan 0.000 0.216 536 P C 1.740 179.025 177.300 -0.026 0.000 1.150 536 P CA 1.817 64.911 63.100 -0.010 0.000 0.843 536 P CB -0.187 31.532 31.700 0.030 0.000 0.787 537 T N -1.132 113.365 114.554 -0.093 0.000 2.770 537 T HA -0.043 4.307 4.350 -0.000 0.000 0.263 537 T C 1.803 176.411 174.700 -0.152 0.000 1.039 537 T CA 0.930 62.954 62.100 -0.126 0.000 1.142 537 T CB -0.451 68.304 68.868 -0.188 0.000 0.868 537 T HN 0.127 nan 8.240 nan 0.000 0.435 538 R N 1.075 121.409 120.500 -0.276 0.000 2.105 538 R HA -0.040 4.300 4.340 -0.000 0.000 0.239 538 R C 2.771 179.037 176.300 -0.058 0.000 1.135 538 R CA 1.313 57.188 56.100 -0.374 0.000 0.967 538 R CB -0.493 29.364 30.300 -0.738 0.000 0.861 538 R HN 0.368 nan 8.270 nan 0.000 0.442 539 A N 1.498 124.286 122.820 -0.053 0.000 1.858 539 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 539 A C 2.060 179.665 177.584 0.035 0.000 1.190 539 A CA 1.124 53.162 52.037 0.002 0.000 0.617 539 A CB -0.636 18.367 19.000 0.004 0.000 0.827 539 A HN 0.232 nan 8.150 nan 0.000 0.443 540 L N -0.513 120.735 121.223 0.042 0.000 2.013 540 L HA -0.171 4.169 4.340 -0.000 0.000 0.212 540 L C 2.196 179.082 176.870 0.026 0.000 1.073 540 L CA 1.922 56.812 54.840 0.083 0.000 0.753 540 L CB -1.248 40.873 42.059 0.103 0.000 0.890 540 L HN 0.272 nan 8.230 nan 0.000 0.432 541 L N -0.643 120.556 121.223 -0.040 0.000 2.012 541 L HA -0.234 4.105 4.340 -0.000 0.000 0.210 541 L C 2.678 179.245 176.870 -0.505 0.000 1.073 541 L CA 1.700 56.428 54.840 -0.188 0.000 0.748 541 L CB -1.212 40.809 42.059 -0.062 0.000 0.891 541 L HN 0.282 nan 8.230 nan 0.000 0.431 542 L N -1.548 119.477 121.223 -0.330 0.000 2.043 542 L HA -0.299 4.041 4.340 -0.000 0.000 0.212 542 L C 2.562 179.545 176.870 0.188 0.000 1.075 542 L CA 1.499 56.239 54.840 -0.165 0.000 0.752 542 L CB -0.733 41.342 42.059 0.027 0.000 0.891 542 L HN 0.238 nan 8.230 nan 0.000 0.432 543 S N -1.021 114.822 115.700 0.237 0.000 2.383 543 S HA -0.179 4.290 4.470 -0.000 0.000 0.229 543 S C 1.981 176.552 174.600 -0.049 0.000 1.030 543 S CA 1.794 60.106 58.200 0.187 0.000 1.002 543 S CB -0.189 63.120 63.200 0.181 0.000 0.829 543 S HN 0.465 nan 8.310 nan 0.000 0.467 544 T N 0.899 115.413 114.554 -0.067 0.000 2.737 544 T HA -0.053 4.296 4.350 -0.000 0.000 0.265 544 T C 1.402 175.978 174.700 -0.208 0.000 1.038 544 T CA 1.132 63.126 62.100 -0.177 0.000 1.144 544 T CB -0.501 68.261 68.868 -0.177 0.000 0.866 544 T HN 0.536 nan 8.240 nan 0.000 0.434 545 Y N 0.124 120.274 120.300 -0.249 0.000 2.139 545 Y HA -0.185 4.365 4.550 -0.000 0.000 0.282 545 Y C 2.454 178.293 175.900 -0.100 0.000 1.179 545 Y CA 0.340 58.354 58.100 -0.143 0.000 1.161 545 Y CB -0.211 38.271 38.460 0.037 0.000 0.970 545 Y HN 0.159 nan 8.280 nan 0.000 0.511 546 I N 0.418 120.986 120.570 -0.004 0.000 2.584 546 I HA -0.177 3.993 4.170 -0.000 0.000 0.255 546 I C 1.907 177.931 176.117 -0.156 0.000 1.145 546 I CA 1.247 62.448 61.300 -0.166 0.000 1.462 546 I CB -0.330 37.310 38.000 -0.599 0.000 1.102 546 I HN -0.034 nan 8.210 nan 0.000 0.433 547 K N -0.400 119.911 120.400 -0.150 0.000 2.209 547 K HA -0.165 4.154 4.320 -0.000 0.000 0.204 547 K C 1.966 178.591 176.600 0.042 0.000 1.048 547 K CA 1.197 57.429 56.287 -0.093 0.000 0.940 547 K CB -0.269 32.169 32.500 -0.104 0.000 0.729 547 K HN 0.225 nan 8.250 nan 0.000 0.451 548 F N 0.820 120.680 119.950 -0.150 0.000 2.128 548 F HA -0.129 4.397 4.527 -0.000 0.000 0.295 548 F C 2.344 178.026 175.800 -0.197 0.000 1.100 548 F CA 0.392 58.296 58.000 -0.159 0.000 1.260 548 F CB -1.021 38.028 39.000 0.082 0.000 1.009 548 F HN -0.281 nan 8.300 nan 0.000 0.476 549 V N 0.390 120.339 119.914 0.058 0.000 2.453 549 V HA -0.342 3.778 4.120 -0.000 0.000 0.252 549 V C 2.216 178.260 176.094 -0.083 0.000 1.068 549 V CA 2.050 64.333 62.300 -0.029 0.000 1.070 549 V CB -1.017 30.781 31.823 -0.041 0.000 0.664 549 V HN 0.459 nan 8.190 nan 0.000 0.461 550 N N -0.000 118.625 118.700 -0.124 0.000 2.047 550 N HA -0.147 4.593 4.740 -0.000 0.000 0.193 550 N C 1.859 177.230 175.510 -0.232 0.000 1.055 550 N CA 1.239 54.195 53.050 -0.155 0.000 0.847 550 N CB -0.059 38.331 38.487 -0.161 0.000 1.038 550 N HN 0.263 nan 8.380 nan 0.000 0.427 551 L N 0.340 121.304 121.223 -0.432 0.000 2.042 551 L HA -0.068 4.272 4.340 -0.000 0.000 0.210 551 L C 0.209 176.729 176.870 -0.584 0.000 1.076 551 L CA 1.540 55.931 54.840 -0.749 0.000 0.749 551 L CB -0.620 40.532 42.059 -1.512 0.000 0.893 551 L HN 0.210 nan 8.230 nan 0.000 0.432 552 F N -1.515 118.368 119.950 -0.112 0.000 2.686 552 F HA 0.298 4.825 4.527 -0.000 0.000 0.365 552 F C -1.654 174.082 175.800 -0.107 0.000 1.196 552 F CA -1.608 56.311 58.000 -0.136 0.000 1.198 552 F CB 0.805 39.674 39.000 -0.219 0.000 1.454 552 F HN -0.132 nan 8.300 nan 0.000 0.539 553 P HA -0.179 nan 4.420 nan 0.000 0.228 553 P C 1.360 178.658 177.300 -0.004 0.000 1.151 553 P CA 1.139 64.243 63.100 0.006 0.000 0.770 553 P CB 0.123 31.819 31.700 -0.007 0.000 0.786 554 E N -0.066 120.138 120.200 0.007 0.000 2.077 554 E HA -0.125 4.225 4.350 -0.000 0.000 0.193 554 E C 1.579 178.148 176.600 -0.051 0.000 0.989 554 E CA 1.763 58.147 56.400 -0.026 0.000 0.800 554 E CB -1.098 28.578 29.700 -0.039 0.000 0.746 554 E HN 0.249 nan 8.360 nan 0.000 0.452 555 V N -0.916 118.967 119.914 -0.052 0.000 3.649 555 V HA 0.110 4.230 4.120 -0.000 0.000 0.275 555 V C 2.213 178.210 176.094 -0.162 0.000 1.281 555 V CA 0.707 62.932 62.300 -0.124 0.000 1.143 555 V CB -0.351 31.388 31.823 -0.140 0.000 0.892 555 V HN 0.076 nan 8.190 nan 0.000 0.441 556 K N 1.516 121.860 120.400 -0.094 0.000 2.009 556 K HA -0.186 4.134 4.320 -0.000 0.000 0.210 556 K C 2.257 178.789 176.600 -0.113 0.000 1.049 556 K CA 1.978 58.207 56.287 -0.096 0.000 0.929 556 K CB -0.612 31.854 32.500 -0.057 0.000 0.714 556 K HN 0.533 nan 8.250 nan 0.000 0.440 557 A N 0.818 123.584 122.820 -0.091 0.000 1.893 557 A HA -0.303 4.017 4.320 -0.000 0.000 0.222 557 A C 2.291 179.806 177.584 -0.115 0.000 1.309 557 A CA 2.895 54.882 52.037 -0.083 0.000 0.681 557 A CB -1.569 17.390 19.000 -0.068 0.000 0.842 557 A HN 0.556 nan 8.150 nan 0.000 0.468 558 T N 0.004 114.456 114.554 -0.170 0.000 2.588 558 T HA -0.084 4.266 4.350 -0.000 0.000 0.261 558 T C 1.866 176.360 174.700 -0.342 0.000 1.069 558 T CA 1.512 63.472 62.100 -0.233 0.000 1.172 558 T CB -0.498 68.197 68.868 -0.289 0.000 0.863 558 T HN 0.403 nan 8.240 nan 0.000 0.408 559 I N 1.086 121.301 120.570 -0.590 0.000 2.185 559 I HA -0.309 3.860 4.170 -0.000 0.000 0.246 559 I C 2.859 178.843 176.117 -0.221 0.000 1.088 559 I CA 1.517 62.451 61.300 -0.609 0.000 1.347 559 I CB -0.506 37.144 38.000 -0.584 0.000 1.041 559 I HN 0.369 nan 8.210 nan 0.000 0.415 560 Q N 0.812 120.520 119.800 -0.153 0.000 2.112 560 Q HA -0.269 4.071 4.340 -0.000 0.000 0.206 560 Q C 0.790 176.769 176.000 -0.035 0.000 0.987 560 Q CA 2.227 57.992 55.803 -0.062 0.000 0.858 560 Q CB -0.038 28.668 28.738 -0.053 0.000 0.905 560 Q HN 0.738 nan 8.270 nan 0.000 0.420 561 D N -1.925 118.445 120.400 -0.051 0.000 2.463 561 D HA 0.043 4.683 4.640 -0.000 0.000 0.224 561 D C 0.853 177.149 176.300 -0.006 0.000 1.174 561 D CA -0.101 53.890 54.000 -0.016 0.000 0.829 561 D CB 0.522 41.317 40.800 -0.009 0.000 0.993 561 D HN -0.016 nan 8.370 nan 0.000 0.497 562 V N 0.179 120.076 119.914 -0.027 0.000 2.599 562 V HA -0.034 4.086 4.120 -0.000 0.000 0.245 562 V C 2.062 178.189 176.094 0.054 0.000 1.046 562 V CA 0.964 63.260 62.300 -0.006 0.000 1.065 562 V CB -0.160 31.606 31.823 -0.095 0.000 0.703 562 V HN 0.345 nan 8.190 nan 0.000 0.464 563 L N -0.426 120.832 121.223 0.059 0.000 2.291 563 L HA -0.014 4.325 4.340 -0.000 0.000 0.214 563 L C 2.483 179.394 176.870 0.069 0.000 1.120 563 L CA 1.090 55.982 54.840 0.088 0.000 0.799 563 L CB -0.499 41.624 42.059 0.107 0.000 0.925 563 L HN 0.199 nan 8.230 nan 0.000 0.446 564 R N 0.644 121.174 120.500 0.050 0.000 2.240 564 R HA -0.002 4.337 4.340 -0.000 0.000 0.203 564 R C 1.055 177.386 176.300 0.051 0.000 1.011 564 R CA 0.266 56.392 56.100 0.043 0.000 1.007 564 R CB 0.279 30.595 30.300 0.027 0.000 0.911 564 R HN 0.367 nan 8.270 nan 0.000 0.468 565 S N 0.355 116.095 115.700 0.068 0.000 2.565 565 S HA 0.039 4.509 4.470 -0.000 0.000 0.276 565 S C 0.609 175.260 174.600 0.086 0.000 1.326 565 S CA -0.812 57.435 58.200 0.077 0.000 1.045 565 S CB 1.283 64.542 63.200 0.099 0.000 0.918 565 S HN 0.146 nan 8.310 nan 0.000 0.505 566 D N 3.157 123.599 120.400 0.070 0.000 2.192 566 D HA -0.196 4.444 4.640 -0.000 0.000 0.189 566 D C 1.960 178.314 176.300 0.091 0.000 1.007 566 D CA 2.031 56.071 54.000 0.066 0.000 0.859 566 D CB -1.020 39.810 40.800 0.051 0.000 0.936 566 D HN 0.666 nan 8.370 nan 0.000 0.447 567 S N 0.379 116.151 115.700 0.119 0.000 2.413 567 S HA -0.245 4.225 4.470 -0.000 0.000 0.237 567 S C 1.934 176.657 174.600 0.205 0.000 1.044 567 S CA 1.578 59.883 58.200 0.175 0.000 1.024 567 S CB -0.136 63.220 63.200 0.259 0.000 0.829 567 S HN 0.268 nan 8.310 nan 0.000 0.475 568 Q N -0.180 119.726 119.800 0.177 0.000 2.387 568 Q HA 0.374 4.714 4.340 -0.000 0.000 0.208 568 Q C 2.094 178.150 176.000 0.094 0.000 0.935 568 Q CA 0.491 56.388 55.803 0.157 0.000 0.891 568 Q CB -0.168 28.660 28.738 0.150 0.000 1.007 568 Q HN 0.392 nan 8.270 nan 0.000 0.548 569 L N 0.221 121.489 121.223 0.075 0.000 2.179 569 L HA -0.023 4.317 4.340 -0.000 0.000 0.208 569 L C 1.086 177.979 176.870 0.039 0.000 1.096 569 L CA 1.032 55.900 54.840 0.047 0.000 0.779 569 L CB -0.029 42.055 42.059 0.041 0.000 0.922 569 L HN 0.086 nan 8.230 nan 0.000 0.443 570 K N -0.219 120.210 120.400 0.047 0.000 2.469 570 K HA 0.061 4.380 4.320 -0.000 0.000 0.201 570 K C 0.307 176.933 176.600 0.043 0.000 1.028 570 K CA -0.348 55.962 56.287 0.039 0.000 1.170 570 K CB -0.126 32.396 32.500 0.037 0.000 0.874 570 K HN 0.106 nan 8.250 nan 0.000 0.507 571 N N 1.660 120.393 118.700 0.054 0.000 2.359 571 N HA -0.077 4.663 4.740 -0.000 0.000 0.261 571 N C 0.823 176.353 175.510 0.033 0.000 1.267 571 N CA 0.143 53.228 53.050 0.058 0.000 0.864 571 N CB 1.072 39.602 38.487 0.072 0.000 1.063 571 N HN 0.213 nan 8.380 nan 0.000 0.474 572 A N 3.123 125.961 122.820 0.029 0.000 1.972 572 A HA -0.130 4.189 4.320 -0.000 0.000 0.219 572 A C 0.830 178.419 177.584 0.008 0.000 1.169 572 A CA 0.946 52.992 52.037 0.016 0.000 0.635 572 A CB -0.202 18.806 19.000 0.013 0.000 0.810 572 A HN 0.747 nan 8.150 nan 0.000 0.446 573 D N -0.251 120.153 120.400 0.006 0.000 2.351 573 D HA 0.235 4.874 4.640 -0.000 0.000 0.251 573 D C 1.581 177.879 176.300 -0.004 0.000 1.137 573 D CA 0.492 54.490 54.000 -0.003 0.000 0.879 573 D CB 1.532 42.325 40.800 -0.011 0.000 1.181 573 D HN 0.166 nan 8.370 nan 0.000 0.448 574 V N 2.344 122.254 119.914 -0.007 0.000 2.427 574 V HA -0.135 3.985 4.120 -0.000 0.000 0.248 574 V C 1.905 177.988 176.094 -0.019 0.000 1.051 574 V CA 1.722 64.015 62.300 -0.011 0.000 1.048 574 V CB -0.595 31.223 31.823 -0.010 0.000 0.666 574 V HN 0.478 nan 8.190 nan 0.000 0.456 575 E N 0.586 120.774 120.200 -0.020 0.000 2.047 575 E HA -0.135 4.215 4.350 -0.000 0.000 0.191 575 E C 1.903 178.478 176.600 -0.042 0.000 0.987 575 E CA 1.547 57.930 56.400 -0.028 0.000 0.799 575 E CB -0.516 29.173 29.700 -0.019 0.000 0.752 575 E HN 0.490 nan 8.360 nan 0.000 0.449 576 L N 0.972 122.178 121.223 -0.027 0.000 2.042 576 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 576 L C 2.471 179.327 176.870 -0.024 0.000 1.076 576 L CA 1.853 56.684 54.840 -0.016 0.000 0.749 576 L CB -1.042 41.026 42.059 0.014 0.000 0.893 576 L HN 0.335 nan 8.230 nan 0.000 0.432 577 Q N -1.625 118.165 119.800 -0.018 0.000 2.230 577 Q HA -0.184 4.155 4.340 -0.000 0.000 0.202 577 Q C 2.066 178.034 176.000 -0.053 0.000 0.963 577 Q CA 0.765 56.557 55.803 -0.018 0.000 0.866 577 Q CB 0.246 28.983 28.738 -0.003 0.000 0.931 577 Q HN 0.440 nan 8.270 nan 0.000 0.452 578 Q N 0.733 120.489 119.800 -0.072 0.000 1.967 578 Q HA -0.146 4.193 4.340 -0.000 0.000 0.202 578 Q C 2.048 177.928 176.000 -0.201 0.000 0.985 578 Q CA 1.553 57.295 55.803 -0.101 0.000 0.839 578 Q CB -0.272 28.414 28.738 -0.086 0.000 0.906 578 Q HN 0.225 nan 8.270 nan 0.000 0.423 579 R N 0.411 120.746 120.500 -0.276 0.000 2.119 579 R HA -0.175 4.164 4.340 -0.000 0.000 0.246 579 R C 2.155 178.076 176.300 -0.633 0.000 1.146 579 R CA 1.728 57.463 56.100 -0.609 0.000 0.962 579 R CB -0.852 29.189 30.300 -0.432 0.000 0.863 579 R HN 0.353 nan 8.270 nan 0.000 0.442 580 A N -0.105 122.566 122.820 -0.248 0.000 1.828 580 A HA -0.154 4.165 4.320 -0.000 0.000 0.215 580 A C 2.305 179.853 177.584 -0.060 0.000 1.203 580 A CA 1.932 53.914 52.037 -0.091 0.000 0.614 580 A CB -1.012 17.988 19.000 -0.000 0.000 0.844 580 A HN 0.118 nan 8.150 nan 0.000 0.445 581 V N 0.334 120.217 119.914 -0.052 0.000 2.380 581 V HA -0.321 3.798 4.120 -0.000 0.000 0.251 581 V C 2.419 178.509 176.094 -0.006 0.000 1.063 581 V CA 2.480 64.770 62.300 -0.016 0.000 1.055 581 V CB -1.071 30.742 31.823 -0.016 0.000 0.657 581 V HN 0.636 nan 8.190 nan 0.000 0.455 582 E N -0.988 119.178 120.200 -0.056 0.000 2.072 582 E HA -0.184 4.166 4.350 -0.000 0.000 0.191 582 E C 2.269 178.981 176.600 0.187 0.000 0.985 582 E CA 1.468 57.878 56.400 0.017 0.000 0.801 582 E CB -0.176 29.495 29.700 -0.049 0.000 0.750 582 E HN 0.641 nan 8.360 nan 0.000 0.452 583 Y N 0.300 120.611 120.300 0.018 0.000 2.220 583 Y HA -0.117 4.433 4.550 -0.000 0.000 0.291 583 Y C 2.220 178.129 175.900 0.015 0.000 1.129 583 Y CA 0.284 58.394 58.100 0.018 0.000 1.161 583 Y CB -0.905 37.572 38.460 0.028 0.000 0.997 583 Y HN 0.098 nan 8.280 nan 0.000 0.522 584 L N 0.579 121.913 121.223 0.185 0.000 2.012 584 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 584 L C 2.403 179.317 176.870 0.073 0.000 1.073 584 L CA 1.790 56.690 54.840 0.100 0.000 0.748 584 L CB -0.679 41.422 42.059 0.069 0.000 0.891 584 L HN -0.066 nan 8.230 nan 0.000 0.431 585 R N -0.250 120.294 120.500 0.072 0.000 2.081 585 R HA -0.120 4.220 4.340 -0.000 0.000 0.235 585 R C 2.163 178.494 176.300 0.051 0.000 1.131 585 R CA 1.999 58.130 56.100 0.051 0.000 0.960 585 R CB -0.852 29.475 30.300 0.044 0.000 0.856 585 R HN 0.615 nan 8.270 nan 0.000 0.436 586 L N -0.740 120.527 121.223 0.073 0.000 2.341 586 L HA 0.173 4.513 4.340 -0.000 0.000 0.214 586 L C 1.827 178.711 176.870 0.024 0.000 1.115 586 L CA 1.847 56.716 54.840 0.048 0.000 0.820 586 L CB -0.926 41.168 42.059 0.058 0.000 0.944 586 L HN 0.134 nan 8.230 nan 0.000 0.452 587 S N -1.409 114.309 115.700 0.030 0.000 2.442 587 S HA -0.136 4.334 4.470 -0.000 0.000 0.236 587 S C 1.614 176.216 174.600 0.004 0.000 1.007 587 S CA 1.439 59.642 58.200 0.006 0.000 0.965 587 S CB -0.916 62.290 63.200 0.009 0.000 0.773 587 S HN 0.610 nan 8.310 nan 0.000 0.504 588 T N 1.197 115.759 114.554 0.013 0.000 2.898 588 T HA 0.189 4.539 4.350 -0.000 0.000 0.241 588 T C 1.851 176.554 174.700 0.005 0.000 1.024 588 T CA 1.038 63.142 62.100 0.008 0.000 1.174 588 T CB -0.389 68.486 68.868 0.012 0.000 0.873 588 T HN 0.241 nan 8.240 nan 0.000 0.422 589 V N 1.746 121.666 119.914 0.010 0.000 2.407 589 V HA 0.225 4.345 4.120 -0.000 0.000 0.245 589 V C 1.527 177.623 176.094 0.003 0.000 1.041 589 V CA 0.586 62.890 62.300 0.007 0.000 1.040 589 V CB -0.889 30.940 31.823 0.011 0.000 0.671 589 V HN 0.524 nan 8.190 nan 0.000 0.455 590 A N 0.841 123.663 122.820 0.003 0.000 2.531 590 A HA 0.232 4.552 4.320 -0.000 0.000 0.236 590 A C 0.825 178.404 177.584 -0.008 0.000 1.062 590 A CA 0.153 52.188 52.037 -0.003 0.000 0.760 590 A CB -0.146 18.851 19.000 -0.006 0.000 0.995 590 A HN 0.475 nan 8.150 nan 0.000 0.501 591 S N 1.980 117.675 115.700 -0.009 0.000 2.558 591 S HA 0.053 4.522 4.470 -0.000 0.000 0.291 591 S C 1.503 176.092 174.600 -0.017 0.000 1.306 591 S CA 0.261 58.454 58.200 -0.012 0.000 1.056 591 S CB 0.552 63.745 63.200 -0.011 0.000 0.836 591 S HN 0.767 nan 8.310 nan 0.000 0.504 592 T N 2.018 116.561 114.554 -0.019 0.000 2.849 592 T HA -0.132 4.217 4.350 -0.000 0.000 0.270 592 T C 1.146 175.830 174.700 -0.027 0.000 1.066 592 T CA 1.540 63.626 62.100 -0.025 0.000 1.130 592 T CB -0.304 68.550 68.868 -0.023 0.000 0.864 592 T HN 0.552 nan 8.240 nan 0.000 0.481 593 D N 0.484 120.871 120.400 -0.022 0.000 2.103 593 D HA 0.028 4.668 4.640 -0.000 0.000 0.199 593 D C 1.956 178.242 176.300 -0.023 0.000 0.978 593 D CA 0.363 54.350 54.000 -0.022 0.000 0.829 593 D CB -0.294 40.496 40.800 -0.017 0.000 0.981 593 D HN 0.170 nan 8.370 nan 0.000 0.464 594 I N 0.770 121.328 120.570 -0.020 0.000 2.252 594 I HA -0.129 4.041 4.170 -0.000 0.000 0.245 594 I C 2.249 178.350 176.117 -0.025 0.000 1.102 594 I CA 0.712 62.001 61.300 -0.019 0.000 1.385 594 I CB -0.549 37.443 38.000 -0.013 0.000 1.064 594 I HN 0.008 nan 8.210 nan 0.000 0.414 595 L N 0.305 121.511 121.223 -0.029 0.000 2.042 595 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 595 L C 2.434 179.272 176.870 -0.054 0.000 1.076 595 L CA 1.965 56.780 54.840 -0.041 0.000 0.749 595 L CB -0.467 41.566 42.059 -0.044 0.000 0.893 595 L HN 0.248 nan 8.230 nan 0.000 0.432 596 A N -1.458 121.332 122.820 -0.051 0.000 2.070 596 A HA -0.156 4.164 4.320 -0.000 0.000 0.220 596 A C 2.144 179.697 177.584 -0.051 0.000 1.159 596 A CA 2.027 54.029 52.037 -0.058 0.000 0.656 596 A CB -0.786 18.183 19.000 -0.050 0.000 0.800 596 A HN 0.555 nan 8.150 nan 0.000 0.453 597 T N -0.958 113.572 114.554 -0.040 0.000 2.852 597 T HA -0.038 4.312 4.350 -0.000 0.000 0.256 597 T C 1.855 176.533 174.700 -0.036 0.000 1.038 597 T CA 1.160 63.240 62.100 -0.033 0.000 1.141 597 T CB -0.413 68.441 68.868 -0.025 0.000 0.869 597 T HN 0.107 nan 8.240 nan 0.000 0.439 598 V N 1.602 121.494 119.914 -0.037 0.000 2.332 598 V HA -0.054 4.065 4.120 -0.000 0.000 0.248 598 V C 1.873 177.935 176.094 -0.055 0.000 1.055 598 V CA 1.502 63.779 62.300 -0.037 0.000 1.038 598 V CB -0.511 31.292 31.823 -0.033 0.000 0.651 598 V HN 0.443 nan 8.190 nan 0.000 0.450 599 L N -0.346 120.833 121.223 -0.073 0.000 2.848 599 L HA 0.217 4.557 4.340 -0.000 0.000 0.240 599 L C 1.022 177.838 176.870 -0.090 0.000 1.232 599 L CA -0.160 54.622 54.840 -0.098 0.000 1.031 599 L CB -0.264 41.717 42.059 -0.130 0.000 1.338 599 L HN 0.340 nan 8.230 nan 0.000 0.509 600 E N 1.152 121.312 120.200 -0.066 0.000 2.570 600 E HA -0.154 4.196 4.350 -0.000 0.000 0.263 600 E C 0.750 177.315 176.600 -0.058 0.000 1.390 600 E CA 0.393 56.761 56.400 -0.054 0.000 1.115 600 E CB 0.438 30.116 29.700 -0.036 0.000 0.970 600 E HN 0.392 nan 8.360 nan 0.000 0.545 601 E N 0.658 120.838 120.200 -0.035 0.000 2.463 601 E HA -0.018 4.332 4.350 -0.000 0.000 0.191 601 E C -0.429 176.163 176.600 -0.013 0.000 1.083 601 E CA -0.056 56.327 56.400 -0.029 0.000 0.872 601 E CB -0.112 29.603 29.700 0.025 0.000 0.966 601 E HN 0.258 nan 8.360 nan 0.000 0.491 602 M N 0.175 119.763 119.600 -0.020 0.000 4.046 602 M HA -0.123 4.357 4.480 -0.000 0.000 0.157 602 M C -2.281 174.029 176.300 0.016 0.000 1.532 602 M CA -0.001 55.292 55.300 -0.011 0.000 1.097 602 M CB -1.531 31.075 32.600 0.010 0.000 1.346 602 M HN 0.067 nan 8.290 nan 0.000 0.191 603 P HA 0.281 nan 4.420 nan 0.000 0.272 603 P C -2.159 175.150 177.300 0.014 0.000 1.243 603 P CA -0.598 62.498 63.100 -0.006 0.000 0.803 603 P CB -0.314 31.357 31.700 -0.049 0.000 0.974 604 P HA 0.124 nan 4.420 nan 0.000 0.270 604 P C -0.623 176.709 177.300 0.054 0.000 1.223 604 P CA 0.157 63.317 63.100 0.099 0.000 0.785 604 P CB 0.183 31.933 31.700 0.085 0.000 0.923 605 F N 1.802 121.784 119.950 0.052 0.000 2.410 605 F HA 0.290 4.817 4.527 -0.000 0.000 0.348 605 F C -1.525 174.284 175.800 0.014 0.000 1.106 605 F CA -1.684 56.332 58.000 0.026 0.000 1.163 605 F CB 0.293 39.306 39.000 0.022 0.000 1.129 605 F HN 0.210 nan 8.300 nan 0.000 0.516 606 P HA -0.008 nan 4.420 nan 0.000 0.268 606 P C -0.670 176.704 177.300 0.125 0.000 1.204 606 P CA -0.041 63.120 63.100 0.102 0.000 0.768 606 P CB 0.495 32.230 31.700 0.057 0.000 0.842 607 E N 3.451 123.697 120.200 0.077 0.000 2.148 607 E HA 0.047 4.396 4.350 -0.000 0.000 0.308 607 E C 0.197 176.823 176.600 0.044 0.000 1.278 607 E CA -0.084 56.350 56.400 0.058 0.000 1.368 607 E CB -0.403 29.319 29.700 0.037 0.000 1.229 607 E HN 0.309 nan 8.360 nan 0.000 0.494 608 R N 1.793 122.325 120.500 0.054 0.000 2.457 608 R HA -0.184 4.155 4.340 -0.000 0.000 0.274 608 R C 0.729 177.042 176.300 0.022 0.000 0.935 608 R CA 1.214 57.337 56.100 0.038 0.000 1.115 608 R CB 0.184 30.506 30.300 0.037 0.000 0.860 608 R HN 0.492 nan 8.270 nan 0.000 0.426 609 E N 0.961 121.171 120.200 0.018 0.000 2.429 609 E HA 0.358 4.708 4.350 -0.000 0.000 0.276 609 E C -1.231 175.374 176.600 0.010 0.000 0.953 609 E CA -1.045 55.362 56.400 0.012 0.000 0.787 609 E CB 1.297 31.003 29.700 0.012 0.000 1.307 609 E HN 0.339 nan 8.360 nan 0.000 0.458 610 S N 1.058 116.762 115.700 0.008 0.000 2.572 610 S HA 0.202 4.672 4.470 -0.000 0.000 0.279 610 S C -0.159 174.445 174.600 0.007 0.000 1.341 610 S CA -0.439 57.765 58.200 0.007 0.000 1.043 610 S CB 0.523 63.726 63.200 0.006 0.000 0.887 610 S HN 0.539 nan 8.310 nan 0.000 0.516 611 S N 1.935 117.639 115.700 0.007 0.000 2.499 611 S HA 0.445 4.915 4.470 -0.000 0.000 0.279 611 S C -0.050 174.554 174.600 0.007 0.000 1.219 611 S CA -0.866 57.338 58.200 0.007 0.000 1.062 611 S CB 0.051 63.255 63.200 0.007 0.000 0.978 611 S HN 0.560 nan 8.310 nan 0.000 0.489 612 I N 3.754 124.328 120.570 0.006 0.000 2.483 612 I HA -0.001 4.168 4.170 -0.000 0.000 0.291 612 I C 1.143 177.264 176.117 0.006 0.000 1.112 612 I CA -0.127 61.177 61.300 0.006 0.000 1.350 612 I CB 0.119 38.123 38.000 0.006 0.000 1.419 612 I HN 0.686 nan 8.210 nan 0.000 0.523 613 L N 6.092 127.319 121.223 0.007 0.000 2.240 613 L HA 0.209 4.548 4.340 -0.000 0.000 0.211 613 L C 0.939 177.813 176.870 0.007 0.000 1.106 613 L CA 0.603 55.448 54.840 0.007 0.000 0.793 613 L CB -0.143 41.920 42.059 0.008 0.000 0.927 613 L HN 0.778 nan 8.230 nan 0.000 0.446 614 A N -0.149 122.676 122.820 0.007 0.000 2.594 614 A HA 0.585 4.905 4.320 -0.000 0.000 0.296 614 A C -1.090 176.499 177.584 0.007 0.000 1.056 614 A CA -0.563 51.479 52.037 0.007 0.000 0.693 614 A CB 1.926 20.930 19.000 0.008 0.000 1.278 614 A HN -0.006 nan 8.150 nan 0.000 0.408 615 K N 1.239 121.643 120.400 0.007 0.000 2.551 615 K HA 0.539 4.859 4.320 -0.000 0.000 0.269 615 K C -1.707 174.897 176.600 0.007 0.000 0.949 615 K CA -0.888 55.403 56.287 0.007 0.000 0.849 615 K CB 1.437 33.940 32.500 0.006 0.000 1.411 615 K HN 0.584 nan 8.250 nan 0.000 0.432 616 L N 4.317 125.544 121.223 0.007 0.000 2.597 616 L HA 0.105 4.445 4.340 -0.000 0.000 0.271 616 L C 0.464 177.338 176.870 0.007 0.000 1.157 616 L CA 1.053 55.897 54.840 0.007 0.000 0.928 616 L CB -0.007 42.057 42.059 0.008 0.000 1.216 616 L HN 0.686 nan 8.230 nan 0.000 0.481 617 K N 2.825 123.229 120.400 0.007 0.000 4.643 617 K HA 0.170 4.490 4.320 -0.000 0.000 0.226 617 K C 0.223 176.827 176.600 0.006 0.000 1.147 617 K CA -0.706 55.584 56.287 0.006 0.000 1.941 617 K CB 0.018 32.522 32.500 0.006 0.000 2.803 617 K HN 0.220 nan 8.250 nan 0.000 0.590 618 K N 3.028 123.432 120.400 0.006 0.000 2.979 618 K HA -0.082 4.238 4.320 -0.000 0.000 0.250 618 K C -0.515 176.089 176.600 0.006 0.000 1.038 618 K CA 0.578 56.868 56.287 0.006 0.000 1.121 618 K CB -1.062 31.441 32.500 0.005 0.000 1.173 618 K HN 0.428 nan 8.250 nan 0.000 0.271 619 K N 0.008 120.412 120.400 0.006 0.000 3.088 619 K HA -0.287 4.033 4.320 -0.000 0.000 0.273 619 K C -1.174 175.431 176.600 0.008 0.000 1.111 619 K CA 1.779 58.071 56.287 0.007 0.000 0.803 619 K CB -2.131 30.373 32.500 0.007 0.000 1.226 619 K HN 0.628 nan 8.250 nan 0.000 0.485 620 K N -2.764 117.641 120.400 0.008 0.000 2.578 620 K HA 0.483 4.802 4.320 -0.000 0.000 0.287 620 K C 0.909 177.514 176.600 0.008 0.000 1.010 620 K CA -0.786 55.507 56.287 0.008 0.000 0.889 620 K CB 0.865 33.370 32.500 0.008 0.000 1.514 620 K HN -0.056 nan 8.250 nan 0.000 0.424 621 G N 1.210 110.016 108.800 0.009 0.000 2.912 621 G HA2 -0.190 3.769 3.960 -0.000 0.000 0.214 621 G HA3 -0.190 3.769 3.960 -0.000 0.000 0.214 621 G C 0.673 175.578 174.900 0.008 0.000 1.341 621 G CA 0.900 46.006 45.100 0.009 0.000 0.794 621 G HN 0.788 nan 8.290 nan 0.000 0.691 622 G N -0.457 108.348 108.800 0.008 0.000 2.484 622 G HA2 0.389 4.349 3.960 -0.000 0.000 0.235 622 G HA3 0.389 4.349 3.960 -0.000 0.000 0.235 622 G C 0.378 175.282 174.900 0.007 0.000 1.282 622 G CA 0.834 45.938 45.100 0.007 0.000 0.857 622 G HN 0.969 nan 8.290 nan 0.000 0.571 623 S N 0.000 115.704 115.700 0.007 0.000 2.498 623 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 623 S CA 0.000 58.204 58.200 0.006 0.000 1.107 623 S CB 0.000 63.204 63.200 0.006 0.000 0.593 623 S HN 0.000 nan 8.310 nan 0.000 0.517