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 3bol_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRNRREVSKL LSERVLLLDG AYGTEFMKYG YDDLPEELNI KAPDVVLKVH DATA SEQUENCE RSYIESGSDV ILTNTFGATR MKLRKHGLED KLDPIVRNAV RIARRAAGEK DATA SEQUENCE LVFGDIGPTG ELPYPLGSTL FEEFYENFRE TVEIMVEEGV DGIIFETFSD DATA SEQUENCE ILELKAAVLA AREVSRDVFL IAHMTFDEKG RSLTGTDPAN FAITFDELDI DATA SEQUENCE DALGINCSLG PEEILPIFQE LSQYTDKFLV VEPNAGXXXX XXXXXXYPLK DATA SEQUENCE PHDFAVHIDS YYELGVNIFG GCCGTTPEHV KLFRKVLGNR KPLQRKKKRI DATA SEQUENCE FAVSSPSKLV TFDHFVVIGE RINPAGRKKL WAEMQKGNEE IVIKEAKTQV DATA SEQUENCE EKGAEVLDVN FGIESQIDVR YVEKIVQTLP YVSNVPLSLD IQNVDLTERA DATA SEQUENCE LRAYPGRSLF NSAKVDEEEL EMKINLLKKY GGTLIVLLMG KDVPKSFEER DATA SEQUENCE KEYFEKALKI LERHDFSDRV IFDPGVLPLG AEGKPVEVLK TIEFISSKGF DATA SEQUENCE NTTVGLSNLS FXLPDRSYYN TAFLVLGISK GLSSAIMNPL DETLMKTLNA DATA SEQUENCE TLVILEKKEL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.314 176.300 0.024 0.000 1.140 1 M CA 0.000 55.312 55.300 0.020 0.000 0.988 1 M CB 0.000 32.611 32.600 0.019 0.000 1.302 2 R N 2.802 123.321 120.500 0.031 0.000 2.459 2 R HA 0.479 4.820 4.340 0.001 0.000 0.281 2 R C 0.139 176.470 176.300 0.051 0.000 1.050 2 R CA -0.477 55.642 56.100 0.032 0.000 1.055 2 R CB 0.987 31.299 30.300 0.019 0.000 1.045 2 R HN 0.708 nan 8.270 nan 0.000 0.495 3 N N 1.423 120.155 118.700 0.054 0.000 2.448 3 N HA 0.060 4.800 4.740 0.001 0.000 0.274 3 N C 0.543 176.126 175.510 0.122 0.000 1.239 3 N CA -0.729 52.367 53.050 0.077 0.000 0.982 3 N CB 0.936 39.461 38.487 0.063 0.000 1.199 3 N HN 0.567 nan 8.380 nan 0.000 0.576 4 R N -0.041 120.561 120.500 0.171 0.000 2.148 4 R HA -0.104 4.236 4.340 0.001 0.000 0.227 4 R C 2.160 178.634 176.300 0.289 0.000 1.103 4 R CA 0.830 57.123 56.100 0.321 0.000 0.983 4 R CB -0.303 30.153 30.300 0.260 0.000 0.874 4 R HN 0.614 nan 8.270 nan 0.000 0.451 5 R N 1.248 121.850 120.500 0.169 0.000 2.073 5 R HA -0.131 4.210 4.340 0.001 0.000 0.234 5 R C 1.717 178.084 176.300 0.111 0.000 1.134 5 R CA 2.046 58.230 56.100 0.139 0.000 0.952 5 R CB -0.082 30.274 30.300 0.093 0.000 0.850 5 R HN 0.428 nan 8.270 nan 0.000 0.433 6 E N -0.371 119.873 120.200 0.074 0.000 2.077 6 E HA -0.163 4.187 4.350 0.001 0.000 0.193 6 E C 1.979 178.572 176.600 -0.012 0.000 0.989 6 E CA 1.600 58.020 56.400 0.032 0.000 0.800 6 E CB 0.071 29.783 29.700 0.021 0.000 0.746 6 E HN 0.170 nan 8.360 nan 0.000 0.452 7 V N 0.844 120.732 119.914 -0.043 0.000 2.358 7 V HA -0.223 3.897 4.120 0.001 0.000 0.246 7 V C 2.218 178.147 176.094 -0.274 0.000 1.047 7 V CA 1.761 63.919 62.300 -0.238 0.000 1.035 7 V CB -0.383 31.138 31.823 -0.502 0.000 0.658 7 V HN 0.197 nan 8.190 nan 0.000 0.452 8 S N 0.199 115.897 115.700 -0.004 0.000 2.370 8 S HA -0.243 4.228 4.470 0.001 0.000 0.226 8 S C 2.400 177.057 174.600 0.096 0.000 1.033 8 S CA 2.015 60.295 58.200 0.134 0.000 1.011 8 S CB -0.575 62.943 63.200 0.529 0.000 0.852 8 S HN 0.743 nan 8.310 nan 0.000 0.457 9 K N 1.332 121.783 120.400 0.085 0.000 2.063 9 K HA -0.015 4.306 4.320 0.001 0.000 0.208 9 K C 2.012 178.625 176.600 0.020 0.000 1.048 9 K CA 1.739 58.069 56.287 0.071 0.000 0.928 9 K CB -1.405 31.127 32.500 0.053 0.000 0.713 9 K HN 0.307 nan 8.250 nan 0.000 0.442 10 L N 0.408 121.604 121.223 -0.044 0.000 2.046 10 L HA 0.044 4.385 4.340 0.001 0.000 0.208 10 L C 2.420 179.240 176.870 -0.084 0.000 1.077 10 L CA 1.536 56.336 54.840 -0.067 0.000 0.747 10 L CB -0.321 41.676 42.059 -0.103 0.000 0.896 10 L HN 0.412 nan 8.230 nan 0.000 0.432 11 L N -1.134 119.976 121.223 -0.189 0.000 2.083 11 L HA -0.182 4.158 4.340 0.001 0.000 0.209 11 L C 2.468 179.354 176.870 0.027 0.000 1.083 11 L CA 1.232 55.946 54.840 -0.211 0.000 0.752 11 L CB -0.726 40.907 42.059 -0.709 0.000 0.899 11 L HN 0.215 nan 8.230 nan 0.000 0.433 12 S N -0.236 115.540 115.700 0.126 0.000 2.387 12 S HA -0.240 4.231 4.470 0.001 0.000 0.230 12 S C 1.827 176.503 174.600 0.128 0.000 1.035 12 S CA 1.628 59.951 58.200 0.205 0.000 1.014 12 S CB -0.217 63.098 63.200 0.192 0.000 0.836 12 S HN 0.508 nan 8.310 nan 0.000 0.466 13 E N -0.087 120.160 120.200 0.079 0.000 2.140 13 E HA 0.129 4.479 4.350 0.001 0.000 0.191 13 E C 1.040 177.677 176.600 0.062 0.000 0.973 13 E CA 0.361 56.797 56.400 0.060 0.000 0.829 13 E CB 0.329 30.050 29.700 0.035 0.000 0.781 13 E HN 0.194 nan 8.360 nan 0.000 0.466 14 R N 0.344 120.877 120.500 0.055 0.000 2.561 14 R HA 0.226 4.567 4.340 0.001 0.000 0.266 14 R C -1.568 174.771 176.300 0.065 0.000 1.091 14 R CA -0.463 55.670 56.100 0.055 0.000 0.927 14 R CB 1.554 31.867 30.300 0.021 0.000 1.240 14 R HN -0.125 nan 8.270 nan 0.000 0.449 15 V N 5.834 125.811 119.914 0.105 0.000 2.485 15 V HA 0.136 4.256 4.120 0.001 0.000 0.287 15 V C 0.528 176.664 176.094 0.069 0.000 1.022 15 V CA 0.290 62.665 62.300 0.126 0.000 1.067 15 V CB 0.526 32.463 31.823 0.190 0.000 0.967 15 V HN 0.538 nan 8.190 nan 0.000 0.479 16 L N 5.145 126.402 121.223 0.057 0.000 2.352 16 L HA 0.549 4.890 4.340 0.001 0.000 0.269 16 L C -0.461 176.443 176.870 0.057 0.000 1.034 16 L CA -0.925 53.927 54.840 0.020 0.000 0.806 16 L CB 1.497 43.530 42.059 -0.043 0.000 1.244 16 L HN 0.361 nan 8.230 nan 0.000 0.447 17 L N 1.695 122.944 121.223 0.043 0.000 2.295 17 L HA 0.462 4.802 4.340 0.001 0.000 0.285 17 L C 0.020 176.905 176.870 0.026 0.000 1.035 17 L CA 0.214 55.111 54.840 0.095 0.000 0.806 17 L CB 1.410 43.543 42.059 0.122 0.000 1.214 17 L HN 0.428 nan 8.230 nan 0.000 0.426 18 L N 1.848 123.086 121.223 0.026 0.000 2.744 18 L HA 0.355 4.696 4.340 0.001 0.000 0.218 18 L C -0.085 176.744 176.870 -0.070 0.000 1.190 18 L CA -0.613 54.197 54.840 -0.050 0.000 0.869 18 L CB 0.871 42.900 42.059 -0.050 0.000 1.652 18 L HN 0.727 nan 8.230 nan 0.000 0.519 19 D N -1.080 119.210 120.400 -0.184 0.000 2.564 19 D HA 0.428 5.069 4.640 0.001 0.000 0.273 19 D C 0.056 175.969 176.300 -0.646 0.000 1.192 19 D CA -0.444 53.258 54.000 -0.496 0.000 1.080 19 D CB 0.500 40.975 40.800 -0.542 0.000 1.160 19 D HN 0.515 nan 8.370 nan 0.000 0.607 20 G N -1.549 106.428 108.800 -1.371 0.000 2.782 20 G HA2 0.557 4.518 3.960 0.001 0.000 0.201 20 G HA3 0.557 4.518 3.960 0.001 0.000 0.201 20 G C -0.587 173.931 174.900 -0.636 0.000 1.374 20 G CA -0.418 44.219 45.100 -0.770 0.000 1.039 20 G HN 0.677 nan 8.290 nan 0.000 0.576 21 A N -1.770 120.812 122.820 -0.398 0.000 2.322 21 A HA 0.625 4.946 4.320 0.001 0.000 0.269 21 A C -0.020 177.304 177.584 -0.433 0.000 1.094 21 A CA -0.206 51.649 52.037 -0.303 0.000 0.807 21 A CB 0.527 19.369 19.000 -0.264 0.000 1.047 21 A HN 0.621 nan 8.150 nan 0.000 0.487 22 Y N 1.223 121.370 120.300 -0.255 0.000 2.576 22 Y HA 0.207 4.757 4.550 0.001 0.000 0.282 22 Y C 2.517 178.148 175.900 -0.448 0.000 1.139 22 Y CA 0.992 58.806 58.100 -0.476 0.000 1.265 22 Y CB -0.691 37.562 38.460 -0.345 0.000 1.376 22 Y HN 0.746 nan 8.280 nan 0.000 0.511 23 G N 0.390 109.199 108.800 0.015 0.000 2.586 23 G HA2 -0.369 3.592 3.960 0.001 0.000 0.218 23 G HA3 -0.369 3.592 3.960 0.001 0.000 0.218 23 G C 1.730 176.663 174.900 0.055 0.000 1.216 23 G CA 2.490 47.651 45.100 0.103 0.000 0.786 23 G HN 0.434 nan 8.290 nan 0.000 0.583 24 T N -1.148 113.392 114.554 -0.024 0.000 2.929 24 T HA -0.041 4.309 4.350 0.001 0.000 0.271 24 T C 2.000 176.684 174.700 -0.026 0.000 1.085 24 T CA 1.884 63.985 62.100 0.001 0.000 1.125 24 T CB -0.007 68.843 68.868 -0.031 0.000 0.874 24 T HN 0.421 nan 8.240 nan 0.000 0.494 25 E N 0.404 120.524 120.200 -0.135 0.000 2.140 25 E HA 0.170 4.521 4.350 0.001 0.000 0.191 25 E C 1.588 178.141 176.600 -0.078 0.000 0.973 25 E CA 0.430 56.722 56.400 -0.180 0.000 0.829 25 E CB -0.593 28.895 29.700 -0.354 0.000 0.781 25 E HN 0.651 nan 8.360 nan 0.000 0.466 26 F N 0.586 120.558 119.950 0.036 0.000 2.202 26 F HA -0.243 4.284 4.527 0.001 0.000 0.301 26 F C 2.152 178.034 175.800 0.137 0.000 1.082 26 F CA 0.993 59.036 58.000 0.071 0.000 1.313 26 F CB -0.212 38.829 39.000 0.068 0.000 1.024 26 F HN 0.105 nan 8.300 nan 0.000 0.495 27 M N 0.119 119.888 119.600 0.281 0.000 2.086 27 M HA -0.243 4.237 4.480 0.001 0.000 0.261 27 M C 1.776 178.155 176.300 0.132 0.000 1.067 27 M CA 1.725 57.136 55.300 0.186 0.000 1.116 27 M CB -0.806 31.871 32.600 0.128 0.000 1.348 27 M HN -0.028 nan 8.290 nan 0.000 0.407 28 K N -0.144 120.316 120.400 0.100 0.000 2.520 28 K HA -0.201 4.120 4.320 0.001 0.000 0.197 28 K C 1.772 178.419 176.600 0.078 0.000 1.044 28 K CA 1.734 58.058 56.287 0.062 0.000 0.938 28 K CB -0.689 31.826 32.500 0.025 0.000 0.767 28 K HN 0.713 nan 8.250 nan 0.000 0.481 29 Y N -0.202 120.191 120.300 0.156 0.000 2.467 29 Y HA 0.331 4.882 4.550 0.001 0.000 0.250 29 Y C 1.459 177.416 175.900 0.096 0.000 1.155 29 Y CA -0.041 58.175 58.100 0.194 0.000 1.249 29 Y CB 0.415 39.082 38.460 0.344 0.000 1.146 29 Y HN 0.224 nan 8.280 nan 0.000 0.524 30 G N -1.185 107.628 108.800 0.021 0.000 2.145 30 G HA2 -0.147 3.814 3.960 0.001 0.000 0.176 30 G HA3 -0.147 3.814 3.960 0.001 0.000 0.176 30 G C -0.572 174.103 174.900 -0.375 0.000 1.013 30 G CA -0.009 44.976 45.100 -0.192 0.000 0.689 30 G HN 0.787 nan 8.290 nan 0.000 0.506 31 Y N 1.238 121.565 120.300 0.046 0.000 2.426 31 Y HA 0.430 4.981 4.550 0.001 0.000 0.325 31 Y C 0.571 176.496 175.900 0.042 0.000 0.989 31 Y CA -0.741 57.373 58.100 0.023 0.000 1.284 31 Y CB 1.454 39.907 38.460 -0.011 0.000 1.104 31 Y HN 0.214 nan 8.280 nan 0.000 0.481 32 D N -0.312 120.165 120.400 0.129 0.000 2.402 32 D HA 0.025 4.666 4.640 0.001 0.000 0.216 32 D C -0.388 175.962 176.300 0.085 0.000 1.128 32 D CA -0.040 54.023 54.000 0.104 0.000 0.833 32 D CB 0.233 41.073 40.800 0.066 0.000 0.971 32 D HN 0.358 nan 8.370 nan 0.000 0.503 33 D N 0.990 121.440 120.400 0.082 0.000 2.363 33 D HA 0.068 4.708 4.640 0.001 0.000 0.240 33 D C 0.662 176.970 176.300 0.014 0.000 1.236 33 D CA -0.354 53.669 54.000 0.037 0.000 0.927 33 D CB 1.194 42.007 40.800 0.022 0.000 1.150 33 D HN -0.004 nan 8.370 nan 0.000 0.458 34 L N 1.947 123.156 121.223 -0.024 0.000 2.559 34 L HA 0.020 4.360 4.340 0.001 0.000 0.274 34 L C -1.244 175.596 176.870 -0.049 0.000 1.205 34 L CA -0.360 54.449 54.840 -0.051 0.000 0.907 34 L CB -0.255 41.712 42.059 -0.154 0.000 1.153 34 L HN 0.244 nan 8.230 nan 0.000 0.490 35 P HA -0.168 nan 4.420 nan 0.000 0.217 35 P C 1.005 178.243 177.300 -0.103 0.000 1.148 35 P CA 1.048 64.139 63.100 -0.015 0.000 0.828 35 P CB 0.341 32.210 31.700 0.281 0.000 0.783 36 E N -0.706 119.475 120.200 -0.032 0.000 2.150 36 E HA -0.181 4.169 4.350 0.001 0.000 0.193 36 E C 1.903 178.454 176.600 -0.081 0.000 0.985 36 E CA 0.841 57.220 56.400 -0.036 0.000 0.814 36 E CB -0.643 29.049 29.700 -0.013 0.000 0.752 36 E HN 0.255 nan 8.360 nan 0.000 0.466 37 E N 0.381 120.522 120.200 -0.098 0.000 2.268 37 E HA -0.071 4.280 4.350 0.001 0.000 0.195 37 E C 1.502 178.022 176.600 -0.132 0.000 0.995 37 E CA 0.548 56.892 56.400 -0.093 0.000 0.836 37 E CB -0.119 29.538 29.700 -0.071 0.000 0.763 37 E HN 0.263 nan 8.360 nan 0.000 0.491 38 L N 0.550 121.638 121.223 -0.225 0.000 2.265 38 L HA -0.150 4.191 4.340 0.001 0.000 0.215 38 L C 1.745 178.467 176.870 -0.246 0.000 1.117 38 L CA 0.704 55.345 54.840 -0.331 0.000 0.782 38 L CB -0.594 41.069 42.059 -0.660 0.000 0.914 38 L HN 0.173 nan 8.230 nan 0.000 0.441 39 N N 0.483 119.082 118.700 -0.168 0.000 2.272 39 N HA -0.141 4.599 4.740 0.001 0.000 0.185 39 N C 1.787 177.253 175.510 -0.073 0.000 1.014 39 N CA 1.420 54.413 53.050 -0.094 0.000 0.870 39 N CB 0.046 38.504 38.487 -0.049 0.000 0.975 39 N HN 0.457 nan 8.380 nan 0.000 0.433 40 I N 0.067 120.592 120.570 -0.075 0.000 2.810 40 I HA -0.036 4.135 4.170 0.001 0.000 0.262 40 I C 2.203 178.287 176.117 -0.055 0.000 1.131 40 I CA 0.415 61.684 61.300 -0.051 0.000 1.453 40 I CB 0.096 38.074 38.000 -0.038 0.000 1.161 40 I HN -0.042 nan 8.210 nan 0.000 0.444 41 K N 1.421 121.778 120.400 -0.073 0.000 2.356 41 K HA 0.193 4.514 4.320 0.001 0.000 0.195 41 K C 0.483 177.042 176.600 -0.068 0.000 1.037 41 K CA 0.676 56.932 56.287 -0.052 0.000 1.014 41 K CB 0.526 33.007 32.500 -0.033 0.000 0.815 41 K HN 0.225 nan 8.250 nan 0.000 0.507 42 A N 1.560 124.289 122.820 -0.152 0.000 3.474 42 A HA 0.275 4.595 4.320 0.001 0.000 0.251 42 A C -2.338 175.108 177.584 -0.230 0.000 1.062 42 A CA -0.814 51.095 52.037 -0.214 0.000 0.945 42 A CB 0.692 19.414 19.000 -0.463 0.000 1.296 42 A HN 0.055 nan 8.150 nan 0.000 0.592 43 P HA -0.174 nan 4.420 nan 0.000 0.220 43 P C 0.817 178.081 177.300 -0.060 0.000 1.148 43 P CA 1.509 64.557 63.100 -0.087 0.000 0.803 43 P CB 0.065 31.740 31.700 -0.042 0.000 0.782 44 D N 0.124 120.489 120.400 -0.059 0.000 2.178 44 D HA -0.103 4.537 4.640 0.001 0.000 0.201 44 D C 1.815 178.096 176.300 -0.031 0.000 0.980 44 D CA 1.003 54.987 54.000 -0.027 0.000 0.842 44 D CB -1.031 39.762 40.800 -0.011 0.000 0.948 44 D HN 0.105 nan 8.370 nan 0.000 0.472 45 V N 0.970 120.819 119.914 -0.108 0.000 2.535 45 V HA -0.150 3.971 4.120 0.001 0.000 0.246 45 V C 2.915 179.046 176.094 0.061 0.000 1.045 45 V CA 0.684 62.936 62.300 -0.081 0.000 1.058 45 V CB -0.100 31.517 31.823 -0.342 0.000 0.689 45 V HN 0.070 nan 8.190 nan 0.000 0.461 46 V N 0.157 120.067 119.914 -0.007 0.000 2.287 46 V HA -0.268 3.853 4.120 0.001 0.000 0.248 46 V C 2.423 178.565 176.094 0.079 0.000 1.053 46 V CA 2.185 64.552 62.300 0.112 0.000 1.027 46 V CB -0.674 31.153 31.823 0.006 0.000 0.646 46 V HN 0.509 nan 8.190 nan 0.000 0.447 47 L N 0.374 121.658 121.223 0.101 0.000 2.012 47 L HA -0.189 4.151 4.340 0.001 0.000 0.210 47 L C 2.477 179.420 176.870 0.120 0.000 1.073 47 L CA 2.205 57.136 54.840 0.151 0.000 0.748 47 L CB -0.780 41.332 42.059 0.089 0.000 0.891 47 L HN 0.255 nan 8.230 nan 0.000 0.431 48 K N -0.860 119.579 120.400 0.065 0.000 2.032 48 K HA -0.164 4.157 4.320 0.001 0.000 0.209 48 K C 1.891 178.487 176.600 -0.007 0.000 1.048 48 K CA 2.124 58.428 56.287 0.028 0.000 0.927 48 K CB -0.207 32.303 32.500 0.017 0.000 0.712 48 K HN 0.321 nan 8.250 nan 0.000 0.441 49 V N 1.359 121.266 119.914 -0.011 0.000 2.261 49 V HA -0.258 3.863 4.120 0.001 0.000 0.246 49 V C 2.376 178.452 176.094 -0.030 0.000 1.047 49 V CA 1.907 64.118 62.300 -0.148 0.000 1.015 49 V CB -0.830 30.853 31.823 -0.233 0.000 0.642 49 V HN 0.414 nan 8.190 nan 0.000 0.446 50 H N 0.650 119.860 119.070 0.233 0.000 2.321 50 H HA -0.172 4.385 4.556 0.001 0.000 0.295 50 H C 2.578 177.977 175.328 0.118 0.000 1.102 50 H CA 2.133 58.343 56.048 0.269 0.000 1.266 50 H CB -0.296 29.590 29.762 0.206 0.000 1.363 50 H HN 0.387 nan 8.280 nan 0.000 0.492 51 R N 0.429 121.033 120.500 0.174 0.000 2.096 51 R HA -0.111 4.229 4.340 0.001 0.000 0.235 51 R C 2.753 179.051 176.300 -0.002 0.000 1.127 51 R CA 1.505 57.648 56.100 0.072 0.000 0.968 51 R CB -0.161 30.162 30.300 0.039 0.000 0.861 51 R HN 0.390 nan 8.270 nan 0.000 0.440 52 S N -0.137 115.505 115.700 -0.096 0.000 2.382 52 S HA -0.183 4.288 4.470 0.001 0.000 0.228 52 S C 1.911 176.369 174.600 -0.236 0.000 1.027 52 S CA 0.944 59.013 58.200 -0.218 0.000 0.991 52 S CB -0.580 62.405 63.200 -0.358 0.000 0.823 52 S HN 0.390 nan 8.310 nan 0.000 0.469 53 Y N 1.399 121.658 120.300 -0.068 0.000 2.200 53 Y HA 0.006 4.557 4.550 0.001 0.000 0.290 53 Y C 2.624 178.500 175.900 -0.041 0.000 1.137 53 Y CA 0.797 58.853 58.100 -0.073 0.000 1.163 53 Y CB -0.239 38.185 38.460 -0.059 0.000 0.988 53 Y HN 0.231 nan 8.280 nan 0.000 0.518 54 I N 0.272 120.921 120.570 0.132 0.000 2.179 54 I HA -0.274 3.897 4.170 0.001 0.000 0.242 54 I C 2.481 178.611 176.117 0.022 0.000 1.088 54 I CA 1.521 62.856 61.300 0.060 0.000 1.357 54 I CB -1.043 36.982 38.000 0.042 0.000 1.051 54 I HN 0.368 nan 8.210 nan 0.000 0.409 55 E N 1.181 121.382 120.200 0.002 0.000 2.110 55 E HA -0.177 4.174 4.350 0.001 0.000 0.193 55 E C 2.131 178.715 176.600 -0.027 0.000 0.988 55 E CA 1.366 57.753 56.400 -0.021 0.000 0.804 55 E CB 0.151 29.827 29.700 -0.040 0.000 0.745 55 E HN 0.337 nan 8.360 nan 0.000 0.458 56 S N -1.136 114.548 115.700 -0.027 0.000 2.481 56 S HA 0.039 4.510 4.470 0.001 0.000 0.231 56 S C 1.336 175.929 174.600 -0.012 0.000 0.996 56 S CA 0.953 59.132 58.200 -0.036 0.000 0.942 56 S CB 0.305 63.478 63.200 -0.045 0.000 0.768 56 S HN 0.569 nan 8.310 nan 0.000 0.520 57 G N 0.478 109.286 108.800 0.012 0.000 2.273 57 G HA2 -0.159 3.801 3.960 0.001 0.000 0.162 57 G HA3 -0.159 3.801 3.960 0.001 0.000 0.162 57 G C -0.004 174.912 174.900 0.028 0.000 1.006 57 G CA -0.236 44.873 45.100 0.015 0.000 0.704 57 G HN 0.367 nan 8.290 nan 0.000 0.487 58 S N 1.363 117.088 115.700 0.040 0.000 2.537 58 S HA 0.276 4.746 4.470 0.001 0.000 0.286 58 S C 0.819 175.405 174.600 -0.024 0.000 1.299 58 S CA 0.127 58.338 58.200 0.018 0.000 1.067 58 S CB 1.050 64.262 63.200 0.022 0.000 0.864 58 S HN 0.301 nan 8.310 nan 0.000 0.494 59 D N 1.297 121.665 120.400 -0.054 0.000 2.333 59 D HA 0.082 4.722 4.640 0.001 0.000 0.208 59 D C 0.088 176.277 176.300 -0.185 0.000 0.984 59 D CA 0.716 54.657 54.000 -0.098 0.000 0.873 59 D CB 0.369 41.114 40.800 -0.091 0.000 0.935 59 D HN 0.253 nan 8.370 nan 0.000 0.521 60 V N 1.871 121.652 119.914 -0.222 0.000 2.760 60 V HA 0.416 4.537 4.120 0.001 0.000 0.309 60 V C -0.106 175.832 176.094 -0.260 0.000 1.077 60 V CA -1.052 61.013 62.300 -0.392 0.000 0.910 60 V CB 2.613 34.061 31.823 -0.625 0.000 1.008 60 V HN -0.035 nan 8.190 nan 0.000 0.424 61 I N 1.478 121.897 120.570 -0.251 0.000 2.846 61 I HA 0.736 4.906 4.170 0.001 0.000 0.307 61 I C -1.146 174.899 176.117 -0.120 0.000 1.053 61 I CA -1.034 60.202 61.300 -0.105 0.000 1.050 61 I CB 2.238 40.223 38.000 -0.024 0.000 1.239 61 I HN 0.379 nan 8.210 nan 0.000 0.439 62 L N 2.876 124.080 121.223 -0.033 0.000 2.309 62 L HA 0.462 4.803 4.340 0.001 0.000 0.282 62 L C 0.553 177.362 176.870 -0.102 0.000 1.036 62 L CA -0.740 54.075 54.840 -0.043 0.000 0.806 62 L CB 1.959 44.003 42.059 -0.025 0.000 1.220 62 L HN 0.799 nan 8.230 nan 0.000 0.429 63 T N -1.361 113.158 114.554 -0.058 0.000 2.900 63 T HA 0.016 4.366 4.350 0.001 0.000 0.307 63 T C 0.414 175.087 174.700 -0.045 0.000 1.065 63 T CA -0.636 61.444 62.100 -0.034 0.000 1.105 63 T CB 0.571 69.432 68.868 -0.012 0.000 0.979 63 T HN 0.511 nan 8.240 nan 0.000 0.544 64 N N 1.568 120.269 118.700 0.002 0.000 3.178 64 N HA 0.135 4.875 4.740 0.001 0.000 0.300 64 N C 0.526 176.064 175.510 0.047 0.000 1.242 64 N CA -0.199 52.841 53.050 -0.016 0.000 1.192 64 N CB -0.631 37.881 38.487 0.042 0.000 1.463 64 N HN 0.843 nan 8.380 nan 0.000 0.539 65 T N -2.487 112.109 114.554 0.069 0.000 3.475 65 T HA 0.077 4.428 4.350 0.001 0.000 0.310 65 T C 1.039 175.807 174.700 0.113 0.000 0.963 65 T CA -0.544 61.600 62.100 0.073 0.000 0.985 65 T CB -1.212 67.680 68.868 0.040 0.000 1.198 65 T HN 0.208 nan 8.240 nan 0.000 0.508 66 F N 3.044 123.009 119.950 0.025 0.000 2.126 66 F HA 0.129 4.657 4.527 0.001 0.000 0.299 66 F C 2.007 177.847 175.800 0.067 0.000 1.096 66 F CA 1.904 59.934 58.000 0.050 0.000 1.255 66 F CB -0.245 38.783 39.000 0.048 0.000 0.997 66 F HN 0.365 nan 8.300 nan 0.000 0.479 67 G N -0.677 108.142 108.800 0.032 0.000 3.189 67 G HA2 0.306 4.266 3.960 0.001 0.000 0.225 67 G HA3 0.306 4.266 3.960 0.001 0.000 0.225 67 G C 0.402 175.281 174.900 -0.036 0.000 1.159 67 G CA 0.239 45.302 45.100 -0.062 0.000 0.763 67 G HN 0.502 nan 8.290 nan 0.000 0.549 68 A N 1.594 124.407 122.820 -0.013 0.000 3.056 68 A HA 0.586 4.906 4.320 0.001 0.000 0.274 68 A C 0.697 178.285 177.584 0.007 0.000 1.661 68 A CA 0.111 52.149 52.037 0.002 0.000 1.363 68 A CB -0.758 18.250 19.000 0.014 0.000 1.139 68 A HN 0.387 nan 8.150 nan 0.000 0.598 69 T N -2.801 111.745 114.554 -0.013 0.000 2.901 69 T HA 0.482 4.832 4.350 0.001 0.000 0.293 69 T C 0.962 175.627 174.700 -0.059 0.000 1.084 69 T CA -0.925 61.152 62.100 -0.038 0.000 1.008 69 T CB 1.238 70.051 68.868 -0.091 0.000 1.170 69 T HN 0.373 nan 8.240 nan 0.000 0.509 70 R N 0.423 120.875 120.500 -0.080 0.000 2.073 70 R HA -0.030 4.310 4.340 0.001 0.000 0.234 70 R C 2.249 178.506 176.300 -0.071 0.000 1.134 70 R CA 1.498 57.559 56.100 -0.066 0.000 0.952 70 R CB -0.675 29.581 30.300 -0.073 0.000 0.850 70 R HN 0.685 nan 8.270 nan 0.000 0.433 71 M N 0.487 120.018 119.600 -0.115 0.000 2.213 71 M HA -0.147 4.333 4.480 0.001 0.000 0.263 71 M C 2.347 178.612 176.300 -0.058 0.000 1.062 71 M CA 1.560 56.798 55.300 -0.103 0.000 1.105 71 M CB -0.168 32.347 32.600 -0.143 0.000 1.385 71 M HN 0.034 nan 8.290 nan 0.000 0.417 72 K N 0.860 121.235 120.400 -0.042 0.000 2.044 72 K HA -0.008 4.312 4.320 0.001 0.000 0.204 72 K C 1.744 178.407 176.600 0.105 0.000 1.049 72 K CA 0.805 57.105 56.287 0.021 0.000 0.945 72 K CB 0.018 32.524 32.500 0.011 0.000 0.724 72 K HN 0.231 nan 8.250 nan 0.000 0.440 73 L N 0.818 122.085 121.223 0.074 0.000 2.131 73 L HA -0.147 4.193 4.340 0.001 0.000 0.210 73 L C 2.654 179.584 176.870 0.100 0.000 1.092 73 L CA 1.108 56.013 54.840 0.109 0.000 0.759 73 L CB -0.382 41.700 42.059 0.038 0.000 0.903 73 L HN 0.251 nan 8.230 nan 0.000 0.435 74 R N 0.987 121.506 120.500 0.031 0.000 2.159 74 R HA -0.181 4.160 4.340 0.001 0.000 0.237 74 R C 1.923 178.207 176.300 -0.027 0.000 1.131 74 R CA 1.296 57.395 56.100 -0.003 0.000 0.982 74 R CB 0.008 30.290 30.300 -0.031 0.000 0.868 74 R HN 0.336 nan 8.270 nan 0.000 0.453 75 K N -0.918 119.445 120.400 -0.061 0.000 2.504 75 K HA -0.058 4.263 4.320 0.001 0.000 0.195 75 K C 0.704 177.092 176.600 -0.353 0.000 1.036 75 K CA 0.619 56.783 56.287 -0.206 0.000 0.984 75 K CB 0.166 32.502 32.500 -0.274 0.000 0.788 75 K HN 0.406 nan 8.250 nan 0.000 0.488 76 H N -0.908 118.159 119.070 -0.004 0.000 2.784 76 H HA 0.132 4.688 4.556 0.001 0.000 0.273 76 H C 0.799 176.125 175.328 -0.002 0.000 1.112 76 H CA 0.485 56.534 56.048 0.002 0.000 1.162 76 H CB 1.181 30.947 29.762 0.007 0.000 1.586 76 H HN 0.332 nan 8.280 nan 0.000 0.548 77 G N 1.854 110.695 108.800 0.068 0.000 2.249 77 G HA2 -0.263 3.698 3.960 0.001 0.000 0.273 77 G HA3 -0.263 3.698 3.960 0.001 0.000 0.273 77 G C 0.588 175.515 174.900 0.046 0.000 1.036 77 G CA 0.471 45.596 45.100 0.042 0.000 0.824 77 G HN 0.437 nan 8.290 nan 0.000 0.504 78 L N -0.773 120.486 121.223 0.059 0.000 3.069 78 L HA 0.303 4.643 4.340 0.001 0.000 0.271 78 L C 1.961 178.843 176.870 0.021 0.000 1.201 78 L CA 0.412 55.275 54.840 0.038 0.000 1.015 78 L CB 0.436 42.519 42.059 0.039 0.000 1.371 78 L HN 0.416 nan 8.230 nan 0.000 0.574 79 E N 1.451 121.660 120.200 0.016 0.000 2.153 79 E HA -0.257 4.094 4.350 0.001 0.000 0.194 79 E C 1.332 177.930 176.600 -0.004 0.000 0.988 79 E CA 1.719 58.120 56.400 0.002 0.000 0.811 79 E CB 0.256 29.952 29.700 -0.008 0.000 0.746 79 E HN 0.562 nan 8.360 nan 0.000 0.466 80 D N -0.071 120.328 120.400 -0.002 0.000 2.363 80 D HA -0.118 4.523 4.640 0.001 0.000 0.226 80 D C 0.978 177.275 176.300 -0.004 0.000 1.020 80 D CA 0.374 54.371 54.000 -0.004 0.000 0.892 80 D CB 0.027 40.825 40.800 -0.004 0.000 0.900 80 D HN 0.048 nan 8.370 nan 0.000 0.531 81 K N 0.188 120.586 120.400 -0.002 0.000 2.404 81 K HA 0.098 4.419 4.320 0.001 0.000 0.194 81 K C 1.743 178.340 176.600 -0.006 0.000 1.023 81 K CA -0.321 55.963 56.287 -0.005 0.000 1.094 81 K CB 0.234 32.730 32.500 -0.005 0.000 0.841 81 K HN 0.147 nan 8.250 nan 0.000 0.523 82 L N 2.052 123.272 121.223 -0.005 0.000 1.997 82 L HA -0.265 4.075 4.340 0.001 0.000 0.216 82 L C 1.758 178.626 176.870 -0.003 0.000 1.074 82 L CA 2.137 56.974 54.840 -0.005 0.000 0.763 82 L CB -0.547 41.508 42.059 -0.008 0.000 0.890 82 L HN 0.173 nan 8.230 nan 0.000 0.434 83 D N -0.887 119.511 120.400 -0.004 0.000 2.078 83 D HA -0.130 4.510 4.640 0.001 0.000 0.193 83 D C -0.724 175.574 176.300 -0.003 0.000 0.990 83 D CA 1.803 55.801 54.000 -0.002 0.000 0.827 83 D CB -0.632 40.167 40.800 -0.002 0.000 0.975 83 D HN 0.344 nan 8.370 nan 0.000 0.451 84 P HA -0.113 nan 4.420 nan 0.000 0.217 84 P C 1.618 178.913 177.300 -0.008 0.000 1.150 84 P CA 0.997 64.094 63.100 -0.006 0.000 0.832 84 P CB -0.018 31.677 31.700 -0.008 0.000 0.787 85 I N -0.588 119.976 120.570 -0.009 0.000 2.179 85 I HA -0.205 3.965 4.170 0.001 0.000 0.242 85 I C 2.496 178.611 176.117 -0.003 0.000 1.088 85 I CA 1.404 62.697 61.300 -0.011 0.000 1.357 85 I CB -0.569 37.423 38.000 -0.013 0.000 1.051 85 I HN -0.183 nan 8.210 nan 0.000 0.409 86 V N 0.545 120.460 119.914 0.001 0.000 2.323 86 V HA -0.195 3.926 4.120 0.001 0.000 0.244 86 V C 2.491 178.588 176.094 0.005 0.000 1.041 86 V CA 1.620 63.924 62.300 0.006 0.000 1.025 86 V CB -0.738 31.090 31.823 0.009 0.000 0.656 86 V HN 0.340 nan 8.190 nan 0.000 0.451 87 R N 0.415 120.916 120.500 0.002 0.000 2.073 87 R HA -0.151 4.189 4.340 0.001 0.000 0.234 87 R C 2.250 178.552 176.300 0.002 0.000 1.134 87 R CA 1.742 57.843 56.100 0.002 0.000 0.952 87 R CB -0.544 29.756 30.300 0.001 0.000 0.850 87 R HN 0.490 nan 8.270 nan 0.000 0.433 88 N N 0.990 119.690 118.700 0.001 0.000 2.104 88 N HA -0.162 4.578 4.740 0.001 0.000 0.190 88 N C 1.696 177.214 175.510 0.013 0.000 1.024 88 N CA 1.658 54.709 53.050 0.002 0.000 0.853 88 N CB -0.481 38.002 38.487 -0.006 0.000 1.008 88 N HN 0.240 nan 8.380 nan 0.000 0.424 89 A N 0.492 123.322 122.820 0.016 0.000 1.908 89 A HA -0.119 4.202 4.320 0.001 0.000 0.218 89 A C 2.453 180.055 177.584 0.029 0.000 1.181 89 A CA 1.624 53.684 52.037 0.039 0.000 0.627 89 A CB -0.856 18.163 19.000 0.032 0.000 0.818 89 A HN 0.123 nan 8.150 nan 0.000 0.445 90 V N -0.099 119.819 119.914 0.007 0.000 2.307 90 V HA -0.259 3.861 4.120 0.001 0.000 0.245 90 V C 2.616 178.700 176.094 -0.016 0.000 1.045 90 V CA 2.207 64.501 62.300 -0.011 0.000 1.024 90 V CB -0.868 30.951 31.823 -0.006 0.000 0.651 90 V HN 0.530 nan 8.190 nan 0.000 0.449 91 R N -0.154 120.345 120.500 -0.003 0.000 2.081 91 R HA -0.099 4.242 4.340 0.001 0.000 0.235 91 R C 2.253 178.555 176.300 0.003 0.000 1.131 91 R CA 1.731 57.830 56.100 -0.002 0.000 0.960 91 R CB -0.490 29.812 30.300 0.002 0.000 0.856 91 R HN 0.435 nan 8.270 nan 0.000 0.436 92 I N 0.677 121.261 120.570 0.024 0.000 2.179 92 I HA -0.273 3.897 4.170 0.001 0.000 0.242 92 I C 2.650 178.789 176.117 0.037 0.000 1.088 92 I CA 1.405 62.742 61.300 0.060 0.000 1.357 92 I CB -0.445 37.624 38.000 0.114 0.000 1.051 92 I HN 0.196 nan 8.210 nan 0.000 0.409 93 A N 0.614 123.397 122.820 -0.062 0.000 1.933 93 A HA -0.243 4.078 4.320 0.001 0.000 0.218 93 A C 2.340 179.806 177.584 -0.196 0.000 1.175 93 A CA 1.848 53.674 52.037 -0.351 0.000 0.628 93 A CB -0.522 18.214 19.000 -0.440 0.000 0.814 93 A HN 0.283 nan 8.150 nan 0.000 0.444 94 R N 0.135 120.574 120.500 -0.102 0.000 2.081 94 R HA -0.103 4.238 4.340 0.001 0.000 0.235 94 R C 2.261 178.534 176.300 -0.045 0.000 1.131 94 R CA 1.957 58.017 56.100 -0.067 0.000 0.960 94 R CB -0.588 29.688 30.300 -0.040 0.000 0.856 94 R HN 0.559 nan 8.270 nan 0.000 0.436 95 R N -0.391 120.094 120.500 -0.024 0.000 2.091 95 R HA -0.109 4.231 4.340 0.001 0.000 0.238 95 R C 1.936 178.235 176.300 -0.001 0.000 1.136 95 R CA 1.819 57.916 56.100 -0.005 0.000 0.959 95 R CB -0.454 29.853 30.300 0.012 0.000 0.856 95 R HN 0.308 nan 8.270 nan 0.000 0.437 96 A N 0.215 123.035 122.820 0.001 0.000 1.929 96 A HA 0.019 4.339 4.320 0.001 0.000 0.216 96 A C 2.279 179.858 177.584 -0.009 0.000 1.176 96 A CA 1.387 53.438 52.037 0.022 0.000 0.628 96 A CB -0.583 18.471 19.000 0.089 0.000 0.816 96 A HN 0.540 nan 8.150 nan 0.000 0.444 97 A N -1.392 121.398 122.820 -0.051 0.000 1.970 97 A HA 0.379 4.699 4.320 0.001 0.000 0.216 97 A C 2.171 179.729 177.584 -0.044 0.000 1.170 97 A CA 1.656 53.656 52.037 -0.062 0.000 0.645 97 A CB -1.169 17.772 19.000 -0.099 0.000 0.816 97 A HN 1.879 nan 8.150 nan 0.000 0.447 98 G N -1.467 107.312 108.800 -0.035 0.000 2.602 98 G HA2 -0.328 3.633 3.960 0.001 0.000 0.310 98 G HA3 -0.328 3.633 3.960 0.001 0.000 0.310 98 G C 1.088 175.967 174.900 -0.034 0.000 1.183 98 G CA 1.789 46.872 45.100 -0.028 0.000 0.979 98 G HN 1.357 nan 8.290 nan 0.000 0.545 99 E N 0.947 121.126 120.200 -0.034 0.000 2.435 99 E HA 0.220 4.570 4.350 0.001 0.000 0.195 99 E C 1.415 177.983 176.600 -0.054 0.000 1.029 99 E CA 1.648 58.025 56.400 -0.038 0.000 0.865 99 E CB -0.193 29.489 29.700 -0.031 0.000 0.833 99 E HN 0.596 nan 8.360 nan 0.000 0.510 100 K N -0.364 119.997 120.400 -0.065 0.000 2.149 100 K HA 0.395 4.716 4.320 0.001 0.000 0.245 100 K C 0.397 176.921 176.600 -0.127 0.000 1.024 100 K CA -0.442 55.788 56.287 -0.095 0.000 0.899 100 K CB 0.703 33.148 32.500 -0.091 0.000 1.038 100 K HN 0.256 nan 8.250 nan 0.000 0.496 101 L N 0.943 122.048 121.223 -0.197 0.000 2.371 101 L HA 0.235 4.576 4.340 0.001 0.000 0.272 101 L C -0.048 176.643 176.870 -0.298 0.000 1.124 101 L CA -0.770 53.915 54.840 -0.258 0.000 0.816 101 L CB 0.886 42.692 42.059 -0.421 0.000 1.129 101 L HN 0.089 nan 8.230 nan 0.000 0.448 102 V N 3.594 123.405 119.914 -0.171 0.000 2.444 102 V HA 0.405 4.525 4.120 0.001 0.000 0.294 102 V C -0.362 175.800 176.094 0.114 0.000 1.022 102 V CA -0.303 61.929 62.300 -0.114 0.000 0.850 102 V CB 1.465 33.241 31.823 -0.079 0.000 0.992 102 V HN 0.441 nan 8.190 nan 0.000 0.426 103 F N 2.426 122.321 119.950 -0.091 0.000 2.436 103 F HA 0.567 5.094 4.527 0.001 0.000 0.340 103 F C 1.154 176.897 175.800 -0.095 0.000 1.113 103 F CA -1.038 56.911 58.000 -0.084 0.000 1.022 103 F CB 1.914 40.869 39.000 -0.076 0.000 1.128 103 F HN 0.609 nan 8.300 nan 0.000 0.466 104 G N 2.132 110.978 108.800 0.077 0.000 2.334 104 G HA2 0.096 4.056 3.960 0.001 0.000 0.261 104 G HA3 0.096 4.056 3.960 0.001 0.000 0.261 104 G C -1.116 173.741 174.900 -0.072 0.000 1.257 104 G CA -0.190 44.899 45.100 -0.019 0.000 0.935 104 G HN 0.601 nan 8.290 nan 0.000 0.480 105 D N 1.825 122.209 120.400 -0.027 0.000 2.280 105 D HA 0.451 5.091 4.640 0.001 0.000 0.236 105 D C -0.124 176.183 176.300 0.012 0.000 1.082 105 D CA -0.392 53.609 54.000 0.001 0.000 0.834 105 D CB 0.766 41.609 40.800 0.071 0.000 1.100 105 D HN 0.206 nan 8.370 nan 0.000 0.486 106 I N 3.210 123.769 120.570 -0.018 0.000 2.478 106 I HA 0.479 4.649 4.170 0.001 0.000 0.287 106 I C 0.741 176.967 176.117 0.183 0.000 1.042 106 I CA -0.901 60.448 61.300 0.082 0.000 1.067 106 I CB 2.132 40.218 38.000 0.142 0.000 1.233 106 I HN 0.388 nan 8.210 nan 0.000 0.431 107 G N 6.303 114.959 108.800 -0.240 0.000 2.552 107 G HA2 0.690 4.650 3.960 0.001 0.000 0.318 107 G HA3 0.690 4.650 3.960 0.001 0.000 0.318 107 G C -2.804 171.792 174.900 -0.506 0.000 1.240 107 G CA -1.315 43.401 45.100 -0.639 0.000 1.002 107 G HN 0.289 nan 8.290 nan 0.000 0.493 108 P HA 0.131 nan 4.420 nan 0.000 0.276 108 P C 0.823 177.944 177.300 -0.298 0.000 1.261 108 P CA 0.067 62.657 63.100 -0.849 0.000 0.800 108 P CB 1.049 32.132 31.700 -1.028 0.000 1.066 109 T N -4.629 109.867 114.554 -0.098 0.000 3.067 109 T HA 0.190 4.540 4.350 0.001 0.000 0.261 109 T C 1.421 176.112 174.700 -0.014 0.000 1.110 109 T CA 0.833 62.917 62.100 -0.025 0.000 1.113 109 T CB -1.050 67.857 68.868 0.065 0.000 0.917 109 T HN 0.704 nan 8.240 nan 0.000 0.499 110 G N 1.095 109.880 108.800 -0.026 0.000 2.179 110 G HA2 -0.201 3.759 3.960 0.001 0.000 0.260 110 G HA3 -0.201 3.759 3.960 0.001 0.000 0.260 110 G C -0.203 174.718 174.900 0.035 0.000 0.977 110 G CA 0.001 45.102 45.100 0.001 0.000 0.641 110 G HN 0.582 nan 8.290 nan 0.000 0.533 111 E N 0.263 120.519 120.200 0.094 0.000 2.175 111 E HA 0.572 4.922 4.350 0.001 0.000 0.278 111 E C 0.603 177.336 176.600 0.221 0.000 0.969 111 E CA -0.563 55.911 56.400 0.124 0.000 0.796 111 E CB 1.575 31.333 29.700 0.096 0.000 1.104 111 E HN 0.379 nan 8.360 nan 0.000 0.395 112 L N 4.721 126.022 121.223 0.130 0.000 2.395 112 L HA 0.270 4.611 4.340 0.001 0.000 0.269 112 L C -1.925 175.051 176.870 0.177 0.000 1.133 112 L CA -1.771 53.141 54.840 0.120 0.000 0.812 112 L CB 0.547 42.616 42.059 0.016 0.000 1.125 112 L HN 0.201 nan 8.230 nan 0.000 0.452 113 P HA -0.044 nan 4.420 nan 0.000 0.271 113 P C -1.027 176.242 177.300 -0.053 0.000 1.218 113 P CA -0.196 63.013 63.100 0.182 0.000 0.780 113 P CB 0.367 32.117 31.700 0.083 0.000 0.901 114 Y N 5.415 125.661 120.300 -0.090 0.000 2.597 114 Y HA 0.063 4.613 4.550 0.001 0.000 0.336 114 Y C -1.243 174.550 175.900 -0.178 0.000 1.216 114 Y CA -1.124 56.912 58.100 -0.107 0.000 1.463 114 Y CB 0.289 38.717 38.460 -0.054 0.000 1.303 114 Y HN 0.327 nan 8.280 nan 0.000 0.576 115 P HA -0.008 nan 4.420 nan 0.000 0.255 115 P C 0.980 177.991 177.300 -0.480 0.000 1.248 115 P CA 0.788 63.217 63.100 -1.118 0.000 0.807 115 P CB 0.233 31.374 31.700 -0.932 0.000 1.150 116 L N -1.488 119.520 121.223 -0.358 0.000 2.141 116 L HA 0.050 4.390 4.340 0.001 0.000 0.209 116 L C 1.714 178.520 176.870 -0.106 0.000 1.094 116 L CA 1.399 56.121 54.840 -0.197 0.000 0.763 116 L CB -0.931 41.016 42.059 -0.186 0.000 0.908 116 L HN 0.091 nan 8.230 nan 0.000 0.437 117 G N -1.370 107.386 108.800 -0.074 0.000 3.252 117 G HA2 0.330 4.290 3.960 0.001 0.000 0.181 117 G HA3 0.330 4.290 3.960 0.001 0.000 0.181 117 G C 0.278 175.231 174.900 0.088 0.000 1.187 117 G CA 0.475 45.577 45.100 0.003 0.000 0.886 117 G HN 0.057 nan 8.290 nan 0.000 0.615 118 S N -1.194 114.549 115.700 0.072 0.000 2.559 118 S HA 0.243 4.713 4.470 0.001 0.000 0.226 118 S C 0.368 174.962 174.600 -0.010 0.000 1.000 118 S CA -0.010 58.249 58.200 0.098 0.000 0.948 118 S CB 0.384 63.591 63.200 0.012 0.000 0.870 118 S HN 0.381 nan 8.310 nan 0.000 0.497 119 T N 3.606 118.115 114.554 -0.075 0.000 2.780 119 T HA 0.491 4.842 4.350 0.001 0.000 0.294 119 T C -0.076 174.499 174.700 -0.208 0.000 0.949 119 T CA -0.398 61.517 62.100 -0.309 0.000 1.074 119 T CB 0.825 69.258 68.868 -0.724 0.000 0.910 119 T HN 0.258 nan 8.240 nan 0.000 0.501 120 L N 2.823 123.930 121.223 -0.192 0.000 2.399 120 L HA 0.352 4.692 4.340 0.001 0.000 0.266 120 L C 1.634 178.540 176.870 0.060 0.000 1.114 120 L CA -0.711 54.121 54.840 -0.012 0.000 0.804 120 L CB 0.407 42.454 42.059 -0.020 0.000 1.146 120 L HN 0.645 nan 8.230 nan 0.000 0.451 121 F N 1.368 121.409 119.950 0.151 0.000 2.087 121 F HA -0.307 4.221 4.527 0.001 0.000 0.299 121 F C 2.077 178.014 175.800 0.229 0.000 1.100 121 F CA 2.049 60.222 58.000 0.288 0.000 1.226 121 F CB 0.161 39.273 39.000 0.187 0.000 0.983 121 F HN 0.581 nan 8.300 nan 0.000 0.479 122 E N 0.425 120.754 120.200 0.216 0.000 2.097 122 E HA -0.269 4.081 4.350 0.001 0.000 0.196 122 E C 2.140 178.760 176.600 0.032 0.000 1.000 122 E CA 1.730 58.203 56.400 0.120 0.000 0.804 122 E CB -0.611 29.149 29.700 0.100 0.000 0.740 122 E HN 0.687 nan 8.360 nan 0.000 0.454 123 E N -0.675 119.484 120.200 -0.069 0.000 2.106 123 E HA -0.129 4.221 4.350 0.001 0.000 0.192 123 E C 1.793 178.301 176.600 -0.153 0.000 0.984 123 E CA 0.620 56.932 56.400 -0.147 0.000 0.806 123 E CB -0.171 29.372 29.700 -0.262 0.000 0.750 123 E HN 0.301 nan 8.360 nan 0.000 0.458 124 F N -0.421 119.455 119.950 -0.124 0.000 2.134 124 F HA -0.210 4.318 4.527 0.001 0.000 0.299 124 F C 2.336 178.071 175.800 -0.109 0.000 1.097 124 F CA 1.169 59.079 58.000 -0.151 0.000 1.264 124 F CB -0.360 38.635 39.000 -0.008 0.000 1.001 124 F HN 0.165 nan 8.300 nan 0.000 0.479 125 Y N 1.203 121.453 120.300 -0.084 0.000 2.128 125 Y HA -0.293 4.258 4.550 0.001 0.000 0.284 125 Y C 2.367 178.273 175.900 0.011 0.000 1.154 125 Y CA 1.878 59.925 58.100 -0.088 0.000 1.149 125 Y CB -0.373 37.937 38.460 -0.250 0.000 0.976 125 Y HN -0.063 nan 8.280 nan 0.000 0.505 126 E N 0.492 120.722 120.200 0.050 0.000 2.077 126 E HA -0.220 4.130 4.350 0.001 0.000 0.193 126 E C 1.924 178.453 176.600 -0.119 0.000 0.989 126 E CA 1.473 57.853 56.400 -0.033 0.000 0.800 126 E CB -0.516 29.196 29.700 0.020 0.000 0.746 126 E HN 0.572 nan 8.360 nan 0.000 0.452 127 N N -0.672 117.921 118.700 -0.178 0.000 2.025 127 N HA -0.158 4.583 4.740 0.001 0.000 0.194 127 N C 1.532 176.870 175.510 -0.287 0.000 1.044 127 N CA 1.691 54.563 53.050 -0.297 0.000 0.851 127 N CB -0.391 37.796 38.487 -0.500 0.000 1.036 127 N HN 0.164 nan 8.380 nan 0.000 0.422 128 F N 0.332 120.271 119.950 -0.018 0.000 2.186 128 F HA 0.068 4.596 4.527 0.001 0.000 0.299 128 F C 2.685 178.458 175.800 -0.046 0.000 1.090 128 F CA 0.593 58.599 58.000 0.010 0.000 1.307 128 F CB -0.255 38.743 39.000 -0.005 0.000 1.019 128 F HN 0.050 nan 8.300 nan 0.000 0.489 129 R N 0.985 121.465 120.500 -0.033 0.000 2.091 129 R HA -0.188 4.152 4.340 0.001 0.000 0.238 129 R C 2.050 178.335 176.300 -0.024 0.000 1.136 129 R CA 1.798 57.834 56.100 -0.108 0.000 0.959 129 R CB -0.330 29.800 30.300 -0.282 0.000 0.856 129 R HN 0.331 nan 8.270 nan 0.000 0.437 130 E N -0.694 119.488 120.200 -0.029 0.000 2.038 130 E HA -0.176 4.174 4.350 0.001 0.000 0.195 130 E C 1.900 178.508 176.600 0.014 0.000 1.000 130 E CA 2.054 58.446 56.400 -0.013 0.000 0.803 130 E CB -0.107 29.575 29.700 -0.029 0.000 0.750 130 E HN 0.403 nan 8.360 nan 0.000 0.448 131 T N 0.916 115.495 114.554 0.041 0.000 2.746 131 T HA -0.114 4.236 4.350 0.001 0.000 0.267 131 T C 2.111 176.849 174.700 0.062 0.000 1.039 131 T CA 1.011 63.147 62.100 0.061 0.000 1.142 131 T CB -0.195 68.734 68.868 0.102 0.000 0.866 131 T HN -0.032 nan 8.240 nan 0.000 0.444 132 V N 1.535 121.503 119.914 0.090 0.000 2.295 132 V HA -0.205 3.916 4.120 0.001 0.000 0.246 132 V C 2.477 178.589 176.094 0.030 0.000 1.049 132 V CA 1.745 64.083 62.300 0.062 0.000 1.024 132 V CB -0.637 31.244 31.823 0.096 0.000 0.648 132 V HN 0.551 nan 8.190 nan 0.000 0.447 133 E N -0.050 120.165 120.200 0.025 0.000 2.070 133 E HA -0.252 4.098 4.350 0.001 0.000 0.197 133 E C 2.127 178.735 176.600 0.013 0.000 1.004 133 E CA 1.893 58.303 56.400 0.016 0.000 0.805 133 E CB -0.283 29.424 29.700 0.011 0.000 0.744 133 E HN 0.584 nan 8.360 nan 0.000 0.451 134 I N 0.422 121.000 120.570 0.013 0.000 2.179 134 I HA -0.300 3.871 4.170 0.001 0.000 0.242 134 I C 2.530 178.652 176.117 0.008 0.000 1.088 134 I CA 1.128 62.434 61.300 0.010 0.000 1.357 134 I CB -0.233 37.773 38.000 0.009 0.000 1.051 134 I HN 0.149 nan 8.210 nan 0.000 0.409 135 M N -0.138 119.466 119.600 0.008 0.000 2.117 135 M HA -0.172 4.308 4.480 0.001 0.000 0.262 135 M C 2.402 178.703 176.300 0.002 0.000 1.065 135 M CA 1.500 56.800 55.300 0.001 0.000 1.114 135 M CB -0.335 32.259 32.600 -0.010 0.000 1.361 135 M HN 0.087 nan 8.290 nan 0.000 0.408 136 V N 0.433 120.349 119.914 0.004 0.000 2.343 136 V HA -0.253 3.867 4.120 0.001 0.000 0.247 136 V C 2.013 178.113 176.094 0.009 0.000 1.051 136 V CA 1.898 64.203 62.300 0.007 0.000 1.036 136 V CB -0.726 31.103 31.823 0.010 0.000 0.654 136 V HN 0.476 nan 8.190 nan 0.000 0.451 137 E N -0.191 120.015 120.200 0.009 0.000 2.086 137 E HA -0.254 4.097 4.350 0.001 0.000 0.200 137 E C 2.176 178.780 176.600 0.007 0.000 1.012 137 E CA 1.528 57.933 56.400 0.008 0.000 0.812 137 E CB -0.133 29.571 29.700 0.008 0.000 0.743 137 E HN 0.548 nan 8.360 nan 0.000 0.453 138 E N -0.842 119.361 120.200 0.005 0.000 2.435 138 E HA 0.006 4.357 4.350 0.001 0.000 0.195 138 E C 0.788 177.390 176.600 0.004 0.000 1.029 138 E CA 0.735 57.137 56.400 0.003 0.000 0.865 138 E CB 0.793 30.494 29.700 0.002 0.000 0.833 138 E HN 0.370 nan 8.360 nan 0.000 0.510 139 G N 1.641 110.445 108.800 0.007 0.000 2.392 139 G HA2 -0.221 3.739 3.960 0.001 0.000 0.215 139 G HA3 -0.221 3.739 3.960 0.001 0.000 0.215 139 G C 0.360 175.269 174.900 0.015 0.000 1.097 139 G CA 0.159 45.264 45.100 0.010 0.000 0.840 139 G HN 0.189 nan 8.290 nan 0.000 0.492 140 V N -2.411 117.514 119.914 0.019 0.000 3.051 140 V HA 0.552 4.673 4.120 0.001 0.000 0.306 140 V C 0.985 177.119 176.094 0.068 0.000 1.083 140 V CA 0.261 62.585 62.300 0.041 0.000 1.104 140 V CB 1.295 33.139 31.823 0.034 0.000 1.027 140 V HN 0.140 nan 8.190 nan 0.000 0.483 141 D N 1.994 122.477 120.400 0.137 0.000 2.340 141 D HA 0.379 5.019 4.640 0.001 0.000 0.220 141 D C 0.688 177.105 176.300 0.194 0.000 1.039 141 D CA 1.358 55.466 54.000 0.181 0.000 0.866 141 D CB 0.710 41.629 40.800 0.198 0.000 0.913 141 D HN 1.083 nan 8.370 nan 0.000 0.523 142 G N -0.026 108.804 108.800 0.050 0.000 2.325 142 G HA2 0.352 4.313 3.960 0.001 0.000 0.297 142 G HA3 0.352 4.313 3.960 0.001 0.000 0.297 142 G C -1.788 172.907 174.900 -0.342 0.000 1.448 142 G CA -0.828 44.067 45.100 -0.342 0.000 0.838 142 G HN 0.004 nan 8.290 nan 0.000 0.579 143 I N 0.918 121.240 120.570 -0.414 0.000 2.498 143 I HA 0.534 4.705 4.170 0.001 0.000 0.290 143 I C -0.726 175.075 176.117 -0.527 0.000 1.032 143 I CA -0.766 60.281 61.300 -0.422 0.000 1.073 143 I CB 2.027 39.781 38.000 -0.411 0.000 1.251 143 I HN 0.540 nan 8.210 nan 0.000 0.426 144 I N 5.709 125.986 120.570 -0.488 0.000 2.465 144 I HA 0.428 4.598 4.170 0.001 0.000 0.291 144 I C -1.386 174.430 176.117 -0.500 0.000 1.014 144 I CA -0.513 60.541 61.300 -0.411 0.000 1.093 144 I CB 1.609 39.489 38.000 -0.201 0.000 1.267 144 I HN 0.354 nan 8.210 nan 0.000 0.431 145 F N 6.582 126.408 119.950 -0.206 0.000 2.313 145 F HA 0.384 4.912 4.527 0.001 0.000 0.369 145 F C 0.479 176.262 175.800 -0.029 0.000 1.109 145 F CA -0.464 57.417 58.000 -0.200 0.000 1.132 145 F CB 0.724 39.299 39.000 -0.708 0.000 1.291 145 F HN 0.407 nan 8.300 nan 0.000 0.496 146 E N 1.097 121.489 120.200 0.320 0.000 2.313 146 E HA 0.257 4.607 4.350 0.001 0.000 0.272 146 E C 0.252 177.190 176.600 0.563 0.000 1.038 146 E CA -0.173 56.442 56.400 0.358 0.000 0.863 146 E CB 1.216 31.131 29.700 0.358 0.000 1.060 146 E HN 0.687 nan 8.360 nan 0.000 0.402 147 T N 0.696 115.500 114.554 0.417 0.000 4.458 147 T HA -0.225 4.125 4.350 0.001 0.000 0.317 147 T C -0.141 174.653 174.700 0.158 0.000 0.916 147 T CA 0.492 62.756 62.100 0.273 0.000 2.068 147 T CB -1.786 67.297 68.868 0.359 0.000 1.908 147 T HN 0.295 nan 8.240 nan 0.000 0.934 148 F N 1.126 121.037 119.950 -0.064 0.000 2.418 148 F HA 0.495 5.023 4.527 0.001 0.000 0.341 148 F C 1.614 177.265 175.800 -0.248 0.000 1.120 148 F CA -0.346 57.558 58.000 -0.161 0.000 1.232 148 F CB 1.343 40.197 39.000 -0.244 0.000 1.175 148 F HN 0.012 nan 8.300 nan 0.000 0.569 149 S N -0.091 115.549 115.700 -0.100 0.000 2.520 149 S HA 0.043 4.514 4.470 0.001 0.000 0.219 149 S C -0.475 174.071 174.600 -0.090 0.000 1.028 149 S CA -0.122 57.998 58.200 -0.133 0.000 0.921 149 S CB -0.000 63.143 63.200 -0.094 0.000 0.844 149 S HN 0.708 nan 8.310 nan 0.000 0.495 150 D N 0.281 120.662 120.400 -0.031 0.000 2.780 150 D HA 0.351 4.992 4.640 0.001 0.000 0.242 150 D C 1.025 177.371 176.300 0.077 0.000 1.135 150 D CA -0.569 53.454 54.000 0.038 0.000 0.859 150 D CB 1.108 41.942 40.800 0.057 0.000 1.530 150 D HN 0.105 nan 8.370 nan 0.000 0.493 151 I N 1.393 122.042 120.570 0.133 0.000 2.546 151 I HA 0.037 4.208 4.170 0.001 0.000 0.255 151 I C 1.505 177.784 176.117 0.270 0.000 1.163 151 I CA 0.294 61.751 61.300 0.262 0.000 1.457 151 I CB -0.172 38.036 38.000 0.346 0.000 1.092 151 I HN 0.346 nan 8.210 nan 0.000 0.434 152 L N 1.578 122.931 121.223 0.218 0.000 2.027 152 L HA -0.135 4.206 4.340 0.001 0.000 0.206 152 L C 2.580 179.542 176.870 0.154 0.000 1.074 152 L CA 1.932 56.925 54.840 0.255 0.000 0.745 152 L CB -0.846 41.432 42.059 0.365 0.000 0.898 152 L HN 0.378 nan 8.230 nan 0.000 0.433 153 E N -0.839 119.297 120.200 -0.107 0.000 2.077 153 E HA -0.269 4.081 4.350 0.001 0.000 0.193 153 E C 2.203 178.723 176.600 -0.133 0.000 0.989 153 E CA 1.497 57.632 56.400 -0.441 0.000 0.800 153 E CB -0.213 29.093 29.700 -0.657 0.000 0.746 153 E HN 0.403 nan 8.360 nan 0.000 0.452 154 L N 1.696 122.900 121.223 -0.031 0.000 2.046 154 L HA -0.169 4.172 4.340 0.001 0.000 0.208 154 L C 2.319 179.099 176.870 -0.150 0.000 1.077 154 L CA 1.929 56.529 54.840 -0.400 0.000 0.747 154 L CB -0.497 41.289 42.059 -0.456 0.000 0.896 154 L HN 0.006 nan 8.230 nan 0.000 0.432 155 K N -0.700 119.856 120.400 0.260 0.000 2.032 155 K HA -0.200 4.120 4.320 0.001 0.000 0.209 155 K C 2.004 178.763 176.600 0.266 0.000 1.048 155 K CA 1.473 57.941 56.287 0.302 0.000 0.927 155 K CB -0.274 32.393 32.500 0.278 0.000 0.712 155 K HN 0.432 nan 8.250 nan 0.000 0.441 156 A N 1.070 124.030 122.820 0.235 0.000 1.908 156 A HA -0.155 4.165 4.320 0.001 0.000 0.218 156 A C 2.350 179.919 177.584 -0.026 0.000 1.181 156 A CA 2.061 54.112 52.037 0.023 0.000 0.627 156 A CB -0.937 17.919 19.000 -0.239 0.000 0.818 156 A HN 0.520 nan 8.150 nan 0.000 0.445 157 A N -0.108 122.440 122.820 -0.453 0.000 1.883 157 A HA -0.057 4.263 4.320 0.001 0.000 0.217 157 A C 2.369 179.476 177.584 -0.796 0.000 1.186 157 A CA 2.618 53.968 52.037 -1.145 0.000 0.624 157 A CB -1.329 16.171 19.000 -2.500 0.000 0.822 157 A HN 1.199 nan 8.150 nan 0.000 0.444 158 V N -2.111 117.477 119.914 -0.544 0.000 2.548 158 V HA -0.113 4.008 4.120 0.001 0.000 0.249 158 V C 2.260 178.385 176.094 0.052 0.000 1.055 158 V CA 1.750 63.960 62.300 -0.149 0.000 1.065 158 V CB -0.928 30.898 31.823 0.006 0.000 0.681 158 V HN 0.437 nan 8.190 nan 0.000 0.462 159 L N 0.733 122.044 121.223 0.146 0.000 2.056 159 L HA 0.021 4.361 4.340 0.001 0.000 0.207 159 L C 3.075 180.142 176.870 0.329 0.000 1.078 159 L CA 1.481 56.498 54.840 0.295 0.000 0.749 159 L CB -0.915 41.436 42.059 0.485 0.000 0.901 159 L HN 0.410 nan 8.230 nan 0.000 0.433 160 A N 0.320 123.251 122.820 0.185 0.000 1.908 160 A HA -0.217 4.104 4.320 0.001 0.000 0.218 160 A C 2.529 180.109 177.584 -0.005 0.000 1.181 160 A CA 1.948 53.881 52.037 -0.174 0.000 0.627 160 A CB -0.713 18.055 19.000 -0.387 0.000 0.818 160 A HN 0.406 nan 8.150 nan 0.000 0.445 161 A N -0.942 121.932 122.820 0.090 0.000 1.930 161 A HA -0.101 4.220 4.320 0.001 0.000 0.217 161 A C 2.185 179.822 177.584 0.088 0.000 1.175 161 A CA 1.932 54.049 52.037 0.133 0.000 0.627 161 A CB -0.385 18.768 19.000 0.255 0.000 0.815 161 A HN 0.367 nan 8.150 nan 0.000 0.443 162 R N 0.056 120.612 120.500 0.094 0.000 2.115 162 R HA -0.068 4.272 4.340 0.001 0.000 0.230 162 R C 1.916 178.262 176.300 0.077 0.000 1.111 162 R CA 1.616 57.758 56.100 0.070 0.000 0.976 162 R CB -0.527 29.808 30.300 0.059 0.000 0.870 162 R HN 0.599 nan 8.270 nan 0.000 0.445 163 E N -0.591 119.678 120.200 0.116 0.000 2.153 163 E HA -0.089 4.262 4.350 0.001 0.000 0.194 163 E C 1.620 178.268 176.600 0.080 0.000 0.988 163 E CA 1.272 57.748 56.400 0.127 0.000 0.811 163 E CB -0.068 29.769 29.700 0.229 0.000 0.746 163 E HN 0.130 nan 8.360 nan 0.000 0.466 164 V N -0.705 119.244 119.914 0.058 0.000 2.323 164 V HA -0.009 4.111 4.120 0.001 0.000 0.244 164 V C 1.096 177.212 176.094 0.037 0.000 1.041 164 V CA 1.326 63.651 62.300 0.041 0.000 1.025 164 V CB -0.055 31.787 31.823 0.031 0.000 0.656 164 V HN 0.256 nan 8.190 nan 0.000 0.451 165 S N -1.508 114.214 115.700 0.037 0.000 2.603 165 S HA 0.486 4.956 4.470 0.001 0.000 0.274 165 S C 0.070 174.686 174.600 0.026 0.000 1.168 165 S CA -0.753 57.464 58.200 0.029 0.000 0.963 165 S CB 1.579 64.793 63.200 0.024 0.000 1.078 165 S HN 0.168 nan 8.310 nan 0.000 0.477 166 R N 2.097 122.611 120.500 0.023 0.000 2.299 166 R HA 0.278 4.618 4.340 0.001 0.000 0.197 166 R C 0.601 176.912 176.300 0.019 0.000 0.971 166 R CA 0.736 56.846 56.100 0.016 0.000 1.030 166 R CB -0.015 30.293 30.300 0.012 0.000 0.932 166 R HN 0.570 nan 8.270 nan 0.000 0.477 167 D N -1.025 119.390 120.400 0.025 0.000 2.392 167 D HA 0.021 4.662 4.640 0.001 0.000 0.206 167 D C -0.011 176.319 176.300 0.050 0.000 1.046 167 D CA 0.164 54.186 54.000 0.037 0.000 0.865 167 D CB 0.420 41.242 40.800 0.037 0.000 0.969 167 D HN -0.074 nan 8.370 nan 0.000 0.509 168 V N 1.505 121.440 119.914 0.034 0.000 2.614 168 V HA 0.084 4.205 4.120 0.001 0.000 0.291 168 V C -0.381 175.735 176.094 0.038 0.000 1.049 168 V CA -0.550 61.772 62.300 0.036 0.000 1.038 168 V CB 0.545 32.370 31.823 0.003 0.000 0.980 168 V HN -0.081 nan 8.190 nan 0.000 0.481 169 F N 7.260 127.144 119.950 -0.111 0.000 2.543 169 F HA 0.396 4.924 4.527 0.001 0.000 0.375 169 F C -0.068 175.586 175.800 -0.243 0.000 1.075 169 F CA 0.055 57.965 58.000 -0.149 0.000 1.225 169 F CB 0.340 39.228 39.000 -0.187 0.000 1.099 169 F HN 0.353 nan 8.300 nan 0.000 0.561 170 L N 8.120 129.079 121.223 -0.441 0.000 2.333 170 L HA 0.496 4.837 4.340 0.001 0.000 0.280 170 L C -0.694 175.999 176.870 -0.295 0.000 1.004 170 L CA -0.769 53.904 54.840 -0.278 0.000 0.820 170 L CB 1.821 43.808 42.059 -0.121 0.000 1.247 170 L HN 0.511 nan 8.230 nan 0.000 0.416 171 I N 2.844 123.308 120.570 -0.177 0.000 2.406 171 I HA 0.544 4.714 4.170 0.001 0.000 0.290 171 I C 0.015 176.150 176.117 0.030 0.000 0.999 171 I CA -0.382 60.896 61.300 -0.036 0.000 1.124 171 I CB 2.028 40.039 38.000 0.018 0.000 1.289 171 I HN 0.604 nan 8.210 nan 0.000 0.441 172 A N 6.125 129.024 122.820 0.132 0.000 2.303 172 A HA 0.608 4.928 4.320 0.001 0.000 0.320 172 A C -0.910 176.892 177.584 0.365 0.000 1.192 172 A CA -0.362 51.751 52.037 0.126 0.000 0.821 172 A CB 0.352 19.349 19.000 -0.006 0.000 1.188 172 A HN 0.806 nan 8.150 nan 0.000 0.492 173 H N 1.699 120.797 119.070 0.047 0.000 2.529 173 H HA 0.586 5.142 4.556 0.001 0.000 0.348 173 H C -0.479 174.710 175.328 -0.232 0.000 1.152 173 H CA -0.737 55.348 56.048 0.062 0.000 1.202 173 H CB 1.887 31.717 29.762 0.113 0.000 1.562 173 H HN 0.629 nan 8.280 nan 0.000 0.515 174 M N 0.935 120.288 119.600 -0.411 0.000 2.724 174 M HA 0.259 4.739 4.480 0.001 0.000 0.310 174 M C -0.149 175.865 176.300 -0.477 0.000 1.217 174 M CA -0.695 54.214 55.300 -0.651 0.000 0.894 174 M CB 2.529 34.323 32.600 -1.344 0.000 1.719 174 M HN 0.411 nan 8.290 nan 0.000 0.479 175 T N 1.021 115.284 114.554 -0.486 0.000 2.823 175 T HA 0.721 5.072 4.350 0.001 0.000 0.279 175 T C -1.515 172.896 174.700 -0.482 0.000 0.998 175 T CA -0.347 61.584 62.100 -0.282 0.000 0.994 175 T CB 0.449 69.270 68.868 -0.078 0.000 0.960 175 T HN 0.350 nan 8.240 nan 0.000 0.448 176 F N 3.029 122.976 119.950 -0.005 0.000 2.522 176 F HA 0.425 4.952 4.527 0.001 0.000 0.324 176 F C 0.705 176.517 175.800 0.020 0.000 1.077 176 F CA -1.027 56.976 58.000 0.005 0.000 0.944 176 F CB 1.422 40.433 39.000 0.017 0.000 1.175 176 F HN 0.593 nan 8.300 nan 0.000 0.468 177 D N -0.061 120.460 120.400 0.201 0.000 2.414 177 D HA 0.058 4.698 4.640 0.001 0.000 0.259 177 D C 0.981 177.356 176.300 0.124 0.000 1.269 177 D CA -0.350 53.726 54.000 0.127 0.000 1.028 177 D CB 0.142 40.995 40.800 0.088 0.000 1.093 177 D HN 0.760 nan 8.370 nan 0.000 0.545 178 E N -0.317 119.934 120.200 0.084 0.000 2.160 178 E HA -0.252 4.098 4.350 0.001 0.000 0.195 178 E C 1.076 177.712 176.600 0.060 0.000 0.991 178 E CA 0.969 57.409 56.400 0.066 0.000 0.810 178 E CB -0.434 29.296 29.700 0.049 0.000 0.742 178 E HN 0.411 nan 8.360 nan 0.000 0.466 179 K N 0.394 120.833 120.400 0.066 0.000 2.505 179 K HA 0.109 4.430 4.320 0.001 0.000 0.192 179 K C 0.755 177.392 176.600 0.062 0.000 1.025 179 K CA 0.376 56.697 56.287 0.056 0.000 1.086 179 K CB 0.303 32.836 32.500 0.054 0.000 0.840 179 K HN 0.341 nan 8.250 nan 0.000 0.514 180 G N 2.444 111.293 108.800 0.081 0.000 2.221 180 G HA2 -0.262 3.699 3.960 0.001 0.000 0.265 180 G HA3 -0.262 3.699 3.960 0.001 0.000 0.265 180 G C -0.448 174.548 174.900 0.161 0.000 1.041 180 G CA 0.000 45.129 45.100 0.048 0.000 0.807 180 G HN 0.161 nan 8.290 nan 0.000 0.502 181 R N 0.029 120.688 120.500 0.265 0.000 2.686 181 R HA 0.661 5.001 4.340 0.001 0.000 0.286 181 R C 0.619 177.072 176.300 0.256 0.000 0.969 181 R CA -0.042 56.233 56.100 0.292 0.000 0.898 181 R CB 1.533 31.921 30.300 0.146 0.000 1.183 181 R HN 0.599 nan 8.270 nan 0.000 0.456 182 S N 0.920 116.702 115.700 0.137 0.000 2.634 182 S HA 0.059 4.530 4.470 0.001 0.000 0.261 182 S C 1.335 175.925 174.600 -0.017 0.000 1.271 182 S CA -0.600 57.529 58.200 -0.118 0.000 0.985 182 S CB 0.597 63.631 63.200 -0.277 0.000 0.968 182 S HN 0.585 nan 8.310 nan 0.000 0.568 183 L N 1.182 122.382 121.223 -0.037 0.000 2.043 183 L HA -0.046 4.295 4.340 0.001 0.000 0.212 183 L C 2.377 179.271 176.870 0.040 0.000 1.075 183 L CA 2.615 57.459 54.840 0.006 0.000 0.752 183 L CB -1.124 40.934 42.059 -0.003 0.000 0.891 183 L HN 1.045 nan 8.230 nan 0.000 0.432 184 T N -3.987 110.602 114.554 0.058 0.000 3.145 184 T HA 0.504 4.855 4.350 0.001 0.000 0.255 184 T C 1.112 175.864 174.700 0.086 0.000 1.039 184 T CA 0.123 62.293 62.100 0.117 0.000 0.928 184 T CB 0.160 69.172 68.868 0.239 0.000 1.029 184 T HN 0.567 nan 8.240 nan 0.000 0.554 185 G N 0.676 109.514 108.800 0.064 0.000 2.175 185 G HA2 -0.156 3.804 3.960 0.001 0.000 0.182 185 G HA3 -0.156 3.804 3.960 0.001 0.000 0.182 185 G C 0.016 174.965 174.900 0.082 0.000 1.003 185 G CA -0.279 44.860 45.100 0.064 0.000 0.666 185 G HN 0.603 nan 8.290 nan 0.000 0.506 186 T N 2.181 116.796 114.554 0.102 0.000 2.780 186 T HA 0.508 4.859 4.350 0.001 0.000 0.294 186 T C 0.302 175.183 174.700 0.301 0.000 0.949 186 T CA 0.434 62.629 62.100 0.159 0.000 1.074 186 T CB 1.423 70.379 68.868 0.146 0.000 0.910 186 T HN 0.560 nan 8.240 nan 0.000 0.501 187 D N 3.148 123.686 120.400 0.230 0.000 2.432 187 D HA 0.330 4.971 4.640 0.001 0.000 0.258 187 D C -1.931 174.469 176.300 0.166 0.000 1.146 187 D CA -2.217 51.889 54.000 0.178 0.000 1.015 187 D CB 0.270 41.093 40.800 0.039 0.000 1.107 187 D HN 0.083 nan 8.370 nan 0.000 0.529 188 P HA -0.076 nan 4.420 nan 0.000 0.218 188 P C 1.146 178.464 177.300 0.031 0.000 1.149 188 P CA 1.982 65.009 63.100 -0.122 0.000 0.817 188 P CB -0.086 31.395 31.700 -0.367 0.000 0.785 189 A N -0.033 122.724 122.820 -0.105 0.000 1.902 189 A HA -0.241 4.079 4.320 0.001 0.000 0.217 189 A C 2.367 179.836 177.584 -0.192 0.000 1.181 189 A CA 2.014 53.848 52.037 -0.339 0.000 0.623 189 A CB -1.688 16.905 19.000 -0.679 0.000 0.818 189 A HN 0.144 nan 8.150 nan 0.000 0.443 190 N N -0.529 118.147 118.700 -0.040 0.000 2.084 190 N HA -0.185 4.556 4.740 0.001 0.000 0.190 190 N C 1.517 177.154 175.510 0.212 0.000 1.030 190 N CA 1.793 54.876 53.050 0.054 0.000 0.849 190 N CB -0.601 37.940 38.487 0.089 0.000 1.012 190 N HN 0.344 nan 8.380 nan 0.000 0.423 191 F N 1.638 121.682 119.950 0.157 0.000 2.043 191 F HA -0.199 4.328 4.527 0.001 0.000 0.297 191 F C 2.242 178.198 175.800 0.261 0.000 1.118 191 F CA 1.952 60.114 58.000 0.270 0.000 1.202 191 F CB -1.205 37.978 39.000 0.305 0.000 0.965 191 F HN 0.139 nan 8.300 nan 0.000 0.482 192 A N 0.589 123.362 122.820 -0.079 0.000 1.883 192 A HA -0.176 4.144 4.320 0.001 0.000 0.217 192 A C 2.430 179.967 177.584 -0.078 0.000 1.186 192 A CA 2.142 54.054 52.037 -0.208 0.000 0.624 192 A CB -1.330 17.622 19.000 -0.080 0.000 0.822 192 A HN 0.505 nan 8.150 nan 0.000 0.444 193 I N -0.488 120.056 120.570 -0.043 0.000 2.226 193 I HA -0.221 3.949 4.170 0.001 0.000 0.245 193 I C 2.588 178.672 176.117 -0.056 0.000 1.100 193 I CA 1.781 63.049 61.300 -0.053 0.000 1.374 193 I CB -0.386 37.561 38.000 -0.088 0.000 1.057 193 I HN 0.278 nan 8.210 nan 0.000 0.413 194 T N 0.216 114.765 114.554 -0.009 0.000 2.777 194 T HA -0.112 4.238 4.350 0.001 0.000 0.266 194 T C 1.505 176.055 174.700 -0.250 0.000 1.040 194 T CA 1.560 63.597 62.100 -0.104 0.000 1.141 194 T CB -0.250 68.590 68.868 -0.047 0.000 0.868 194 T HN 0.161 nan 8.240 nan 0.000 0.444 195 F N 0.777 120.690 119.950 -0.062 0.000 2.530 195 F HA 0.198 4.726 4.527 0.001 0.000 0.292 195 F C 2.068 177.791 175.800 -0.128 0.000 1.109 195 F CA -0.066 57.883 58.000 -0.085 0.000 1.450 195 F CB -0.306 38.636 39.000 -0.095 0.000 1.114 195 F HN 0.084 nan 8.300 nan 0.000 0.560 196 D N 1.108 121.495 120.400 -0.021 0.000 2.133 196 D HA -0.272 4.369 4.640 0.001 0.000 0.192 196 D C 1.959 178.225 176.300 -0.057 0.000 1.001 196 D CA 1.919 55.882 54.000 -0.061 0.000 0.844 196 D CB -0.147 40.608 40.800 -0.075 0.000 0.944 196 D HN 0.537 nan 8.370 nan 0.000 0.447 197 E N -0.277 119.881 120.200 -0.070 0.000 2.481 197 E HA -0.019 4.332 4.350 0.001 0.000 0.195 197 E C 0.570 177.136 176.600 -0.056 0.000 1.047 197 E CA -0.062 56.297 56.400 -0.069 0.000 0.867 197 E CB -0.147 29.501 29.700 -0.087 0.000 0.858 197 E HN 0.349 nan 8.360 nan 0.000 0.513 198 L N 1.501 122.693 121.223 -0.053 0.000 2.466 198 L HA 0.113 4.454 4.340 0.001 0.000 0.257 198 L C 0.658 177.515 176.870 -0.021 0.000 1.189 198 L CA -0.492 54.326 54.840 -0.036 0.000 0.813 198 L CB 0.359 42.404 42.059 -0.024 0.000 1.118 198 L HN -0.051 nan 8.230 nan 0.000 0.471 199 D N 1.631 122.018 120.400 -0.022 0.000 2.977 199 D HA 0.165 4.806 4.640 0.001 0.000 0.241 199 D C -0.000 176.279 176.300 -0.035 0.000 1.206 199 D CA -0.095 53.886 54.000 -0.030 0.000 0.902 199 D CB -0.499 40.281 40.800 -0.032 0.000 1.131 199 D HN 0.334 nan 8.370 nan 0.000 0.447 200 I N -3.526 117.024 120.570 -0.034 0.000 2.918 200 I HA 0.420 4.591 4.170 0.001 0.000 0.316 200 I C 0.392 176.420 176.117 -0.148 0.000 1.001 200 I CA -0.673 60.584 61.300 -0.073 0.000 1.142 200 I CB 1.625 39.623 38.000 -0.003 0.000 1.356 200 I HN -0.272 nan 8.210 nan 0.000 0.524 201 D N 2.002 122.220 120.400 -0.303 0.000 2.388 201 D HA 0.298 4.938 4.640 0.001 0.000 0.208 201 D C 0.384 176.597 176.300 -0.145 0.000 1.035 201 D CA 0.499 54.262 54.000 -0.394 0.000 0.875 201 D CB 1.242 41.317 40.800 -1.209 0.000 0.984 201 D HN 0.683 nan 8.370 nan 0.000 0.508 202 A N 0.685 123.444 122.820 -0.102 0.000 2.572 202 A HA 0.655 4.976 4.320 0.001 0.000 0.295 202 A C -1.430 176.224 177.584 0.116 0.000 1.072 202 A CA -0.558 51.561 52.037 0.137 0.000 0.691 202 A CB 1.481 20.676 19.000 0.324 0.000 1.291 202 A HN 0.024 nan 8.150 nan 0.000 0.404 203 L N 0.762 122.064 121.223 0.132 0.000 2.341 203 L HA 0.907 5.248 4.340 0.001 0.000 0.267 203 L C 0.599 177.616 176.870 0.245 0.000 1.009 203 L CA -0.556 54.359 54.840 0.125 0.000 0.819 203 L CB 2.443 44.395 42.059 -0.177 0.000 1.323 203 L HN 1.072 nan 8.230 nan 0.000 0.425 204 G N 1.223 110.213 108.800 0.316 0.000 2.554 204 G HA2 0.677 4.637 3.960 0.001 0.000 0.306 204 G HA3 0.677 4.637 3.960 0.001 0.000 0.306 204 G C -1.880 172.909 174.900 -0.185 0.000 1.320 204 G CA -0.478 44.630 45.100 0.014 0.000 0.800 204 G HN 0.384 nan 8.290 nan 0.000 0.481 205 I N 1.640 122.009 120.570 -0.334 0.000 2.619 205 I HA 0.432 4.602 4.170 0.001 0.000 0.292 205 I C -1.133 174.886 176.117 -0.163 0.000 1.100 205 I CA -0.970 60.283 61.300 -0.078 0.000 1.043 205 I CB 2.555 40.715 38.000 0.267 0.000 1.239 205 I HN 0.708 nan 8.210 nan 0.000 0.420 206 N N 4.739 123.443 118.700 0.008 0.000 2.416 206 N HA 0.509 5.250 4.740 0.001 0.000 0.276 206 N C -0.561 174.984 175.510 0.058 0.000 1.261 206 N CA -0.338 52.752 53.050 0.066 0.000 0.790 206 N CB 2.230 40.840 38.487 0.206 0.000 1.554 206 N HN 0.860 nan 8.380 nan 0.000 0.481 207 C N -0.146 119.164 119.300 0.017 0.000 0.168 207 C HA -0.227 4.233 4.460 0.001 0.000 0.017 207 C C 1.888 176.902 174.990 0.040 0.000 0.171 207 C CA 1.217 60.240 59.018 0.009 0.000 0.499 207 C CB -1.764 25.980 27.740 0.006 0.000 3.212 207 C HN 1.323 nan 8.230 nan 0.000 1.118 208 S N -1.642 114.089 115.700 0.052 0.000 1.998 208 S HA -0.286 4.184 4.470 0.001 0.000 0.225 208 S C -0.180 174.467 174.600 0.079 0.000 1.062 208 S CA 2.100 60.343 58.200 0.071 0.000 1.630 208 S CB -1.037 62.204 63.200 0.069 0.000 2.147 208 S HN 1.089 nan 8.310 nan 0.000 0.569 209 L N -0.437 120.824 121.223 0.064 0.000 2.359 209 L HA 0.744 5.084 4.340 0.001 0.000 0.256 209 L C 0.663 177.531 176.870 -0.003 0.000 1.026 209 L CA -0.538 54.330 54.840 0.046 0.000 0.828 209 L CB 1.628 43.721 42.059 0.056 0.000 1.406 209 L HN 0.264 nan 8.230 nan 0.000 0.413 210 G N -0.195 108.581 108.800 -0.040 0.000 2.580 210 G HA2 0.400 4.360 3.960 0.001 0.000 0.278 210 G HA3 0.400 4.360 3.960 0.001 0.000 0.278 210 G C -1.958 172.797 174.900 -0.242 0.000 1.212 210 G CA -0.944 44.057 45.100 -0.165 0.000 0.939 210 G HN 0.439 nan 8.290 nan 0.000 0.513 211 P HA -0.088 nan 4.420 nan 0.000 0.218 211 P C 1.254 178.383 177.300 -0.285 0.000 1.149 211 P CA 1.125 63.992 63.100 -0.388 0.000 0.817 211 P CB 0.364 31.639 31.700 -0.708 0.000 0.785 212 E N 0.798 120.732 120.200 -0.443 0.000 2.028 212 E HA -0.203 4.148 4.350 0.001 0.000 0.191 212 E C 1.860 178.420 176.600 -0.066 0.000 0.988 212 E CA 1.409 57.688 56.400 -0.201 0.000 0.799 212 E CB -0.595 29.056 29.700 -0.082 0.000 0.755 212 E HN 0.047 nan 8.360 nan 0.000 0.447 213 E N 0.184 120.354 120.200 -0.050 0.000 2.153 213 E HA -0.102 4.248 4.350 0.001 0.000 0.194 213 E C 1.982 178.602 176.600 0.032 0.000 0.988 213 E CA 1.033 57.433 56.400 -0.000 0.000 0.811 213 E CB -0.165 29.541 29.700 0.010 0.000 0.746 213 E HN 0.418 nan 8.360 nan 0.000 0.466 214 I N 0.062 120.666 120.570 0.057 0.000 2.676 214 I HA -0.164 4.006 4.170 0.001 0.000 0.259 214 I C 1.966 178.181 176.117 0.163 0.000 1.194 214 I CA 0.140 61.524 61.300 0.140 0.000 1.473 214 I CB -0.030 38.078 38.000 0.180 0.000 1.096 214 I HN 0.135 nan 8.210 nan 0.000 0.443 215 L N 2.474 123.729 121.223 0.055 0.000 1.990 215 L HA -0.141 4.199 4.340 0.001 0.000 0.213 215 L C -0.358 176.520 176.870 0.014 0.000 1.072 215 L CA 2.427 57.208 54.840 -0.098 0.000 0.755 215 L CB -1.443 40.482 42.059 -0.223 0.000 0.889 215 L HN 0.112 nan 8.230 nan 0.000 0.432 216 P HA -0.131 nan 4.420 nan 0.000 0.221 216 P C 2.014 179.325 177.300 0.018 0.000 1.150 216 P CA 1.580 64.689 63.100 0.015 0.000 0.800 216 P CB -0.019 31.683 31.700 0.004 0.000 0.787 217 I N -1.361 119.221 120.570 0.020 0.000 2.202 217 I HA -0.215 3.955 4.170 0.001 0.000 0.242 217 I C 2.525 178.641 176.117 -0.001 0.000 1.091 217 I CA 1.322 62.587 61.300 -0.057 0.000 1.368 217 I CB -0.786 37.156 38.000 -0.097 0.000 1.058 217 I HN -0.181 nan 8.210 nan 0.000 0.410 218 F N 1.585 121.537 119.950 0.003 0.000 2.171 218 F HA -0.288 4.239 4.527 0.001 0.000 0.300 218 F C 2.724 178.550 175.800 0.043 0.000 1.090 218 F CA 1.980 60.027 58.000 0.078 0.000 1.293 218 F CB -0.302 38.839 39.000 0.235 0.000 1.013 218 F HN 0.063 nan 8.300 nan 0.000 0.486 219 Q N 0.366 120.243 119.800 0.129 0.000 2.084 219 Q HA -0.293 4.048 4.340 0.001 0.000 0.202 219 Q C 2.295 178.264 176.000 -0.052 0.000 0.978 219 Q CA 2.063 57.879 55.803 0.022 0.000 0.844 219 Q CB -0.495 28.265 28.738 0.036 0.000 0.898 219 Q HN 0.668 nan 8.270 nan 0.000 0.426 220 E N -0.034 120.153 120.200 -0.022 0.000 2.085 220 E HA -0.227 4.123 4.350 0.001 0.000 0.194 220 E C 2.117 178.747 176.600 0.050 0.000 0.994 220 E CA 1.196 57.614 56.400 0.030 0.000 0.801 220 E CB -0.161 29.543 29.700 0.008 0.000 0.743 220 E HN 0.409 nan 8.360 nan 0.000 0.453 221 L N 1.079 122.256 121.223 -0.076 0.000 2.042 221 L HA -0.191 4.149 4.340 0.001 0.000 0.210 221 L C 2.418 179.190 176.870 -0.163 0.000 1.076 221 L CA 2.530 57.310 54.840 -0.100 0.000 0.749 221 L CB -0.762 41.211 42.059 -0.143 0.000 0.893 221 L HN 0.218 nan 8.230 nan 0.000 0.432 222 S N -1.467 114.047 115.700 -0.311 0.000 2.419 222 S HA -0.253 4.217 4.470 0.001 0.000 0.233 222 S C 1.849 176.339 174.600 -0.183 0.000 1.016 222 S CA 1.287 59.315 58.200 -0.287 0.000 0.974 222 S CB -0.707 62.311 63.200 -0.304 0.000 0.786 222 S HN 0.722 nan 8.310 nan 0.000 0.492 223 Q N -0.729 118.967 119.800 -0.174 0.000 2.378 223 Q HA 0.104 4.444 4.340 0.001 0.000 0.205 223 Q C 0.434 176.111 176.000 -0.538 0.000 0.954 223 Q CA 0.868 56.467 55.803 -0.339 0.000 0.901 223 Q CB -0.054 28.444 28.738 -0.401 0.000 0.981 223 Q HN 0.810 nan 8.270 nan 0.000 0.483 224 Y N -1.536 118.700 120.300 -0.108 0.000 2.588 224 Y HA 0.257 4.808 4.550 0.001 0.000 0.247 224 Y C 0.177 176.007 175.900 -0.116 0.000 1.157 224 Y CA -0.154 57.888 58.100 -0.097 0.000 1.215 224 Y CB 1.567 39.978 38.460 -0.081 0.000 1.245 224 Y HN -0.213 nan 8.280 nan 0.000 0.534 225 T N 0.070 114.602 114.554 -0.038 0.000 2.909 225 T HA 0.211 4.562 4.350 0.001 0.000 0.299 225 T C -0.198 174.438 174.700 -0.106 0.000 1.073 225 T CA -0.606 61.446 62.100 -0.080 0.000 0.999 225 T CB 1.101 69.901 68.868 -0.114 0.000 1.098 225 T HN 0.266 nan 8.240 nan 0.000 0.477 226 D N 2.360 122.693 120.400 -0.113 0.000 2.369 226 D HA 0.169 4.810 4.640 0.001 0.000 0.211 226 D C 0.442 176.631 176.300 -0.185 0.000 1.077 226 D CA -0.148 53.772 54.000 -0.132 0.000 0.842 226 D CB 0.363 41.090 40.800 -0.122 0.000 0.947 226 D HN 0.393 nan 8.370 nan 0.000 0.509 227 K N -0.006 120.292 120.400 -0.171 0.000 2.117 227 K HA 0.284 4.604 4.320 0.001 0.000 0.240 227 K C 0.099 176.608 176.600 -0.152 0.000 1.031 227 K CA -0.658 55.495 56.287 -0.224 0.000 0.909 227 K CB 0.684 33.106 32.500 -0.130 0.000 1.097 227 K HN -0.096 nan 8.250 nan 0.000 0.492 228 F N 1.149 121.146 119.950 0.079 0.000 2.563 228 F HA 0.033 4.560 4.527 0.001 0.000 0.363 228 F C 0.590 176.483 175.800 0.156 0.000 1.123 228 F CA -0.192 57.901 58.000 0.155 0.000 1.307 228 F CB 0.190 39.355 39.000 0.275 0.000 1.115 228 F HN 0.056 nan 8.300 nan 0.000 0.592 229 L N 3.353 124.817 121.223 0.402 0.000 2.346 229 L HA 0.711 5.051 4.340 0.001 0.000 0.274 229 L C -0.829 176.306 176.870 0.442 0.000 1.007 229 L CA -0.938 54.115 54.840 0.357 0.000 0.818 229 L CB 1.897 44.146 42.059 0.316 0.000 1.284 229 L HN 0.291 nan 8.230 nan 0.000 0.424 230 V N 2.855 123.028 119.914 0.431 0.000 2.876 230 V HA 0.636 4.757 4.120 0.001 0.000 0.312 230 V C -0.781 175.449 176.094 0.227 0.000 1.085 230 V CA -0.742 61.770 62.300 0.355 0.000 0.945 230 V CB 2.763 34.882 31.823 0.493 0.000 1.017 230 V HN 0.459 nan 8.190 nan 0.000 0.428 231 V N 3.087 122.992 119.914 -0.014 0.000 2.808 231 V HA 0.621 4.741 4.120 0.001 0.000 0.308 231 V C -1.209 174.619 176.094 -0.443 0.000 1.099 231 V CA -0.193 61.946 62.300 -0.267 0.000 0.920 231 V CB 2.373 33.834 31.823 -0.603 0.000 1.014 231 V HN 1.043 nan 8.190 nan 0.000 0.425 232 E N 6.970 126.989 120.200 -0.303 0.000 2.731 232 E HA 0.362 4.713 4.350 0.001 0.000 0.248 232 E C -2.818 173.666 176.600 -0.194 0.000 1.084 232 E CA -1.665 54.557 56.400 -0.296 0.000 0.776 232 E CB 1.873 31.512 29.700 -0.103 0.000 1.404 232 E HN 0.484 nan 8.360 nan 0.000 0.395 233 P HA 0.031 nan 4.420 nan 0.000 0.274 233 P C -0.314 177.005 177.300 0.032 0.000 1.231 233 P CA -0.477 62.556 63.100 -0.112 0.000 0.790 233 P CB 0.670 32.209 31.700 -0.268 0.000 0.951 234 N N 0.448 119.135 118.700 -0.021 0.000 2.326 234 N HA 0.190 4.931 4.740 0.001 0.000 0.239 234 N C 0.208 175.770 175.510 0.087 0.000 1.301 234 N CA -0.071 52.951 53.050 -0.046 0.000 0.909 234 N CB -0.167 38.308 38.487 -0.021 0.000 1.156 234 N HN 0.343 nan 8.380 nan 0.000 0.462 235 A N 0.446 123.290 122.820 0.041 0.000 3.126 235 A HA 0.563 4.884 4.320 0.001 0.000 0.268 235 A C 0.903 178.670 177.584 0.305 0.000 1.605 235 A CA 0.319 52.519 52.037 0.272 0.000 1.305 235 A CB -1.318 17.750 19.000 0.113 0.000 1.160 235 A HN 0.867 nan 8.150 nan 0.000 0.609 248 P HA 0.165 nan 4.420 nan 0.000 0.252 248 P C -0.077 177.353 177.300 0.218 0.000 1.218 248 P CA 0.247 63.449 63.100 0.169 0.000 0.807 248 P CB 1.134 32.903 31.700 0.116 0.000 1.072 249 L N 1.769 123.167 121.223 0.292 0.000 2.342 249 L HA 0.177 4.517 4.340 0.001 0.000 0.285 249 L C 0.634 177.796 176.870 0.488 0.000 1.095 249 L CA 0.042 55.092 54.840 0.349 0.000 0.843 249 L CB 0.197 42.468 42.059 0.352 0.000 1.201 249 L HN -0.210 nan 8.230 nan 0.000 0.445 250 K N 5.313 125.913 120.400 0.332 0.000 2.120 250 K HA 0.300 4.620 4.320 0.001 0.000 0.245 250 K C -1.586 175.054 176.600 0.068 0.000 1.024 250 K CA -1.890 54.506 56.287 0.183 0.000 0.906 250 K CB 0.023 32.595 32.500 0.120 0.000 1.051 250 K HN 0.172 nan 8.250 nan 0.000 0.491 251 P HA -0.162 nan 4.420 nan 0.000 0.216 251 P C 1.088 178.349 177.300 -0.067 0.000 1.153 251 P CA 1.525 64.348 63.100 -0.461 0.000 0.858 251 P CB 0.077 31.416 31.700 -0.602 0.000 0.789 252 H N -0.575 118.512 119.070 0.029 0.000 2.299 252 H HA -0.082 4.475 4.556 0.001 0.000 0.302 252 H C 1.593 177.017 175.328 0.159 0.000 1.078 252 H CA 1.547 57.643 56.048 0.080 0.000 1.323 252 H CB -0.735 29.048 29.762 0.035 0.000 1.381 252 H HN 0.196 nan 8.280 nan 0.000 0.498 253 D N 0.535 121.121 120.400 0.310 0.000 2.123 253 D HA -0.161 4.479 4.640 0.001 0.000 0.196 253 D C 2.099 178.656 176.300 0.428 0.000 0.992 253 D CA 0.755 54.928 54.000 0.289 0.000 0.833 253 D CB -0.660 40.304 40.800 0.273 0.000 0.954 253 D HN 0.186 nan 8.370 nan 0.000 0.455 254 F N 1.804 121.972 119.950 0.363 0.000 2.113 254 F HA -0.043 4.485 4.527 0.001 0.000 0.297 254 F C 2.374 178.472 175.800 0.496 0.000 1.103 254 F CA 1.194 59.487 58.000 0.488 0.000 1.248 254 F CB -0.488 38.850 39.000 0.563 0.000 0.999 254 F HN -0.074 nan 8.300 nan 0.000 0.475 255 A N -0.255 122.989 122.820 0.707 0.000 2.121 255 A HA -0.051 4.270 4.320 0.001 0.000 0.218 255 A C 2.132 179.850 177.584 0.223 0.000 1.154 255 A CA 1.481 53.809 52.037 0.484 0.000 0.679 255 A CB -1.496 17.733 19.000 0.381 0.000 0.795 255 A HN 0.377 nan 8.150 nan 0.000 0.458 256 V N -3.176 116.837 119.914 0.166 0.000 2.970 256 V HA -0.183 3.938 4.120 0.001 0.000 0.260 256 V C 1.823 177.858 176.094 -0.098 0.000 1.100 256 V CA 2.082 64.375 62.300 -0.011 0.000 1.122 256 V CB -1.636 30.142 31.823 -0.075 0.000 0.721 256 V HN 0.647 nan 8.190 nan 0.000 0.483 257 H N -0.086 119.047 119.070 0.105 0.000 2.547 257 H HA 0.256 4.813 4.556 0.001 0.000 0.272 257 H C 2.088 177.475 175.328 0.098 0.000 0.989 257 H CA 1.195 57.309 56.048 0.110 0.000 1.214 257 H CB -0.238 29.640 29.762 0.194 0.000 1.389 257 H HN 0.367 nan 8.280 nan 0.000 0.577 258 I N 0.733 121.307 120.570 0.007 0.000 2.145 258 I HA -0.336 3.835 4.170 0.001 0.000 0.244 258 I C 1.614 177.710 176.117 -0.034 0.000 1.075 258 I CA 1.478 62.610 61.300 -0.280 0.000 1.332 258 I CB -0.124 37.571 38.000 -0.509 0.000 1.033 258 I HN 0.297 nan 8.210 nan 0.000 0.410 259 D N 0.386 120.787 120.400 0.002 0.000 2.149 259 D HA -0.156 4.485 4.640 0.001 0.000 0.198 259 D C 2.362 178.737 176.300 0.124 0.000 0.990 259 D CA 1.737 55.781 54.000 0.074 0.000 0.839 259 D CB -0.219 40.602 40.800 0.035 0.000 0.948 259 D HN 0.407 nan 8.370 nan 0.000 0.460 260 S N -0.711 115.026 115.700 0.062 0.000 2.402 260 S HA -0.169 4.302 4.470 0.001 0.000 0.229 260 S C 2.067 176.635 174.600 -0.054 0.000 1.021 260 S CA 0.538 58.730 58.200 -0.015 0.000 0.974 260 S CB -0.704 62.447 63.200 -0.080 0.000 0.800 260 S HN 0.265 nan 8.310 nan 0.000 0.484 261 Y N 0.391 120.713 120.300 0.038 0.000 2.263 261 Y HA 0.038 4.589 4.550 0.001 0.000 0.292 261 Y C 2.422 178.382 175.900 0.100 0.000 1.130 261 Y CA 1.022 59.120 58.100 -0.002 0.000 1.179 261 Y CB -0.839 37.573 38.460 -0.080 0.000 0.998 261 Y HN 0.378 nan 8.280 nan 0.000 0.532 262 Y N 1.194 121.574 120.300 0.133 0.000 2.165 262 Y HA -0.295 4.256 4.550 0.001 0.000 0.286 262 Y C 2.079 178.045 175.900 0.110 0.000 1.155 262 Y CA 1.956 60.116 58.100 0.101 0.000 1.164 262 Y CB -0.203 38.277 38.460 0.033 0.000 0.978 262 Y HN 0.143 nan 8.280 nan 0.000 0.513 263 E N 0.023 120.237 120.200 0.023 0.000 2.338 263 E HA -0.137 4.213 4.350 0.001 0.000 0.197 263 E C 1.572 178.149 176.600 -0.038 0.000 1.007 263 E CA 0.879 57.242 56.400 -0.061 0.000 0.849 263 E CB -0.085 29.631 29.700 0.027 0.000 0.774 263 E HN 0.541 nan 8.360 nan 0.000 0.506 264 L N -0.689 120.573 121.223 0.065 0.000 2.607 264 L HA 0.198 4.539 4.340 0.001 0.000 0.228 264 L C 1.121 178.095 176.870 0.174 0.000 1.123 264 L CA 0.195 55.122 54.840 0.146 0.000 0.890 264 L CB 0.471 42.719 42.059 0.314 0.000 1.103 264 L HN 0.201 nan 8.230 nan 0.000 0.468 265 G N 0.331 109.186 108.800 0.091 0.000 2.132 265 G HA2 -0.251 3.710 3.960 0.001 0.000 0.228 265 G HA3 -0.251 3.710 3.960 0.001 0.000 0.228 265 G C 0.227 175.282 174.900 0.258 0.000 1.000 265 G CA 0.137 45.289 45.100 0.086 0.000 0.693 265 G HN 0.106 nan 8.290 nan 0.000 0.515 266 V N -0.136 120.016 119.914 0.397 0.000 2.788 266 V HA 0.274 4.395 4.120 0.001 0.000 0.307 266 V C 1.260 177.562 176.094 0.346 0.000 1.069 266 V CA 1.824 64.404 62.300 0.466 0.000 1.173 266 V CB 0.753 32.791 31.823 0.360 0.000 0.925 266 V HN 0.493 nan 8.190 nan 0.000 0.492 267 N N 4.173 123.083 118.700 0.350 0.000 2.382 267 N HA 0.415 5.155 4.740 0.001 0.000 0.200 267 N C -0.678 174.961 175.510 0.215 0.000 1.122 267 N CA -0.001 53.224 53.050 0.292 0.000 0.870 267 N CB 0.564 39.271 38.487 0.367 0.000 1.176 267 N HN 0.593 nan 8.380 nan 0.000 0.474 268 I N 0.221 120.932 120.570 0.234 0.000 2.571 268 I HA 0.306 4.476 4.170 0.001 0.000 0.289 268 I C -1.706 174.514 176.117 0.171 0.000 1.115 268 I CA -0.814 60.593 61.300 0.177 0.000 1.045 268 I CB 2.258 40.357 38.000 0.164 0.000 1.238 268 I HN -0.131 nan 8.210 nan 0.000 0.424 269 F N 4.755 124.686 119.950 -0.031 0.000 2.493 269 F HA 0.856 5.383 4.527 0.001 0.000 0.329 269 F C 0.162 175.873 175.800 -0.149 0.000 1.126 269 F CA -0.081 57.826 58.000 -0.154 0.000 0.937 269 F CB 1.691 40.552 39.000 -0.232 0.000 1.146 269 F HN 0.479 nan 8.300 nan 0.000 0.442 270 G N 2.314 110.734 108.800 -0.633 0.000 2.921 270 G HA2 0.620 4.580 3.960 0.001 0.000 0.291 270 G HA3 0.620 4.580 3.960 0.001 0.000 0.291 270 G C -1.338 173.309 174.900 -0.420 0.000 1.370 270 G CA -0.583 44.335 45.100 -0.303 0.000 0.847 270 G HN 0.953 nan 8.290 nan 0.000 0.532 271 G N -1.953 106.755 108.800 -0.153 0.000 2.498 271 G HA2 0.541 4.502 3.960 0.001 0.000 0.312 271 G HA3 0.541 4.502 3.960 0.001 0.000 0.312 271 G C -0.903 173.889 174.900 -0.180 0.000 1.230 271 G CA -0.213 44.794 45.100 -0.155 0.000 0.968 271 G HN 0.834 nan 8.290 nan 0.000 0.481 272 C N -0.695 118.516 119.300 -0.147 0.000 3.319 272 C HA 0.593 5.054 4.460 0.001 0.000 0.344 272 C C 1.014 175.835 174.990 -0.281 0.000 3.068 272 C CA -0.445 58.463 59.018 -0.183 0.000 1.790 272 C CB 0.686 28.348 27.740 -0.130 0.000 3.186 272 C HN 0.877 nan 8.230 nan 0.000 0.483 273 C N 2.281 121.381 119.300 -0.334 0.000 2.155 273 C HA 0.395 4.855 4.460 0.001 0.000 0.396 273 C C 1.573 176.030 174.990 -0.889 0.000 1.545 273 C CA 1.692 60.393 59.018 -0.528 0.000 1.442 273 C CB -1.525 25.918 27.740 -0.495 0.000 2.553 273 C HN 1.371 nan 8.230 nan 0.000 0.598 274 G N 2.945 111.336 108.800 -0.683 0.000 2.234 274 G HA2 -0.207 3.753 3.960 0.001 0.000 0.235 274 G HA3 -0.207 3.753 3.960 0.001 0.000 0.235 274 G C 0.141 174.813 174.900 -0.379 0.000 0.997 274 G CA 0.393 45.175 45.100 -0.529 0.000 0.623 274 G HN 1.076 nan 8.290 nan 0.000 0.514 275 T N -0.123 114.139 114.554 -0.486 0.000 2.828 275 T HA 0.659 5.010 4.350 0.001 0.000 0.290 275 T C 0.331 174.821 174.700 -0.351 0.000 1.019 275 T CA 0.942 62.600 62.100 -0.736 0.000 1.031 275 T CB 1.931 70.391 68.868 -0.679 0.000 1.001 275 T HN 1.602 nan 8.240 nan 0.000 0.531 276 T N -2.249 112.210 114.554 -0.157 0.000 2.841 276 T HA 0.541 4.891 4.350 0.001 0.000 0.296 276 T C -2.483 172.248 174.700 0.052 0.000 1.166 276 T CA -1.837 60.276 62.100 0.021 0.000 1.007 276 T CB 1.390 70.300 68.868 0.069 0.000 1.253 276 T HN 0.248 nan 8.240 nan 0.000 0.511 277 P HA -0.095 nan 4.420 nan 0.000 0.216 277 P C 1.060 178.256 177.300 -0.173 0.000 1.150 277 P CA 1.327 64.281 63.100 -0.242 0.000 0.843 277 P CB 0.006 31.437 31.700 -0.448 0.000 0.787 278 E N -1.775 118.323 120.200 -0.170 0.000 2.118 278 E HA -0.215 4.136 4.350 0.001 0.000 0.195 278 E C 1.900 178.294 176.600 -0.344 0.000 0.992 278 E CA 1.250 57.517 56.400 -0.222 0.000 0.804 278 E CB -0.969 28.609 29.700 -0.204 0.000 0.741 278 E HN 0.476 nan 8.360 nan 0.000 0.458 279 H N -0.431 118.387 119.070 -0.420 0.000 2.293 279 H HA -0.083 4.474 4.556 0.001 0.000 0.300 279 H C 2.046 176.600 175.328 -1.289 0.000 1.082 279 H CA 1.575 57.171 56.048 -0.753 0.000 1.308 279 H CB -0.404 28.877 29.762 -0.802 0.000 1.375 279 H HN -0.022 nan 8.280 nan 0.000 0.495 280 V N 1.001 120.396 119.914 -0.864 0.000 2.332 280 V HA -0.292 3.828 4.120 0.001 0.000 0.248 280 V C 2.135 178.029 176.094 -0.334 0.000 1.055 280 V CA 1.915 63.812 62.300 -0.672 0.000 1.038 280 V CB -0.459 31.271 31.823 -0.155 0.000 0.651 280 V HN 0.394 nan 8.190 nan 0.000 0.450 281 K N -0.538 119.708 120.400 -0.258 0.000 2.044 281 K HA -0.237 4.083 4.320 0.001 0.000 0.210 281 K C 2.086 178.595 176.600 -0.152 0.000 1.049 281 K CA 1.616 57.804 56.287 -0.165 0.000 0.927 281 K CB -0.393 32.008 32.500 -0.165 0.000 0.713 281 K HN 0.219 nan 8.250 nan 0.000 0.443 282 L N 0.245 121.328 121.223 -0.234 0.000 2.056 282 L HA -0.096 4.245 4.340 0.001 0.000 0.207 282 L C 1.913 178.814 176.870 0.051 0.000 1.078 282 L CA 1.523 56.274 54.840 -0.148 0.000 0.749 282 L CB -0.580 41.330 42.059 -0.248 0.000 0.901 282 L HN 0.059 nan 8.230 nan 0.000 0.433 283 F N -0.087 119.837 119.950 -0.045 0.000 2.120 283 F HA -0.252 4.276 4.527 0.001 0.000 0.300 283 F C 2.797 178.566 175.800 -0.051 0.000 1.095 283 F CA 1.550 59.533 58.000 -0.030 0.000 1.249 283 F CB -1.250 37.782 39.000 0.053 0.000 0.995 283 F HN 0.147 nan 8.300 nan 0.000 0.480 284 R N 0.589 121.171 120.500 0.137 0.000 2.090 284 R HA -0.109 4.232 4.340 0.001 0.000 0.228 284 R C 2.113 178.423 176.300 0.016 0.000 1.110 284 R CA 1.298 57.433 56.100 0.058 0.000 0.973 284 R CB -0.311 30.003 30.300 0.024 0.000 0.869 284 R HN -0.017 nan 8.270 nan 0.000 0.440 285 K N -0.566 119.836 120.400 0.004 0.000 2.026 285 K HA -0.034 4.286 4.320 0.001 0.000 0.208 285 K C 1.777 178.370 176.600 -0.011 0.000 1.048 285 K CA 1.662 57.942 56.287 -0.012 0.000 0.929 285 K CB -0.206 32.280 32.500 -0.023 0.000 0.713 285 K HN 0.055 nan 8.250 nan 0.000 0.439 286 V N 0.525 120.439 119.914 0.001 0.000 2.323 286 V HA -0.169 3.951 4.120 0.001 0.000 0.244 286 V C 2.130 178.182 176.094 -0.069 0.000 1.041 286 V CA 1.410 63.697 62.300 -0.022 0.000 1.025 286 V CB -0.425 31.396 31.823 -0.003 0.000 0.656 286 V HN 0.251 nan 8.190 nan 0.000 0.451 287 L N 0.464 121.644 121.223 -0.072 0.000 2.005 287 L HA 0.204 4.544 4.340 0.001 0.000 0.207 287 L C 1.602 178.406 176.870 -0.110 0.000 1.072 287 L CA 2.191 56.959 54.840 -0.120 0.000 0.744 287 L CB -1.138 40.866 42.059 -0.092 0.000 0.895 287 L HN 0.501 nan 8.230 nan 0.000 0.433 288 G N -0.464 108.300 108.800 -0.060 0.000 2.582 288 G HA2 -0.352 3.609 3.960 0.001 0.000 0.288 288 G HA3 -0.352 3.609 3.960 0.001 0.000 0.288 288 G C -0.027 174.841 174.900 -0.054 0.000 1.247 288 G CA 0.318 45.387 45.100 -0.053 0.000 0.972 288 G HN 0.531 nan 8.290 nan 0.000 0.557 289 N N 2.023 120.691 118.700 -0.054 0.000 2.558 289 N HA 0.463 5.204 4.740 0.001 0.000 0.242 289 N C -0.229 175.251 175.510 -0.049 0.000 0.979 289 N CA -0.208 52.819 53.050 -0.037 0.000 0.931 289 N CB 1.310 39.784 38.487 -0.021 0.000 1.122 289 N HN 0.511 nan 8.380 nan 0.000 0.508 290 R N 0.935 121.407 120.500 -0.046 0.000 2.621 290 R HA 0.347 4.688 4.340 0.001 0.000 0.292 290 R C -0.208 176.149 176.300 0.096 0.000 0.969 290 R CA -0.846 55.232 56.100 -0.037 0.000 0.887 290 R CB 2.614 32.758 30.300 -0.261 0.000 1.180 290 R HN 0.267 nan 8.270 nan 0.000 0.450 291 K N 3.728 124.216 120.400 0.146 0.000 2.270 291 K HA 0.236 4.556 4.320 0.001 0.000 0.276 291 K C -2.070 174.700 176.600 0.283 0.000 1.023 291 K CA -1.524 54.867 56.287 0.174 0.000 0.955 291 K CB 0.876 33.455 32.500 0.132 0.000 0.975 291 K HN 0.320 nan 8.250 nan 0.000 0.471 292 P HA 0.037 nan 4.420 nan 0.000 0.274 292 P C -0.462 176.878 177.300 0.067 0.000 1.231 292 P CA -0.550 62.672 63.100 0.203 0.000 0.790 292 P CB 0.544 32.367 31.700 0.204 0.000 0.951 293 L N 1.084 122.232 121.223 -0.126 0.000 2.439 293 L HA 0.283 4.624 4.340 0.001 0.000 0.269 293 L C 1.323 178.169 176.870 -0.040 0.000 1.179 293 L CA 0.561 55.319 54.840 -0.136 0.000 0.828 293 L CB -0.683 41.206 42.059 -0.284 0.000 1.106 293 L HN 0.530 nan 8.230 nan 0.000 0.467 294 Q N 3.186 122.970 119.800 -0.028 0.000 2.260 294 Q HA 0.697 5.038 4.340 0.001 0.000 0.242 294 Q C -0.346 175.630 176.000 -0.039 0.000 0.932 294 Q CA -0.545 55.246 55.803 -0.019 0.000 0.891 294 Q CB 0.852 29.583 28.738 -0.011 0.000 1.222 294 Q HN 0.660 nan 8.270 nan 0.000 0.453 295 R N -0.472 120.000 120.500 -0.046 0.000 2.855 295 R HA 0.762 5.102 4.340 0.001 0.000 0.266 295 R C -1.129 175.130 176.300 -0.068 0.000 1.034 295 R CA -1.038 55.026 56.100 -0.060 0.000 0.944 295 R CB 1.422 31.681 30.300 -0.069 0.000 1.219 295 R HN 0.730 nan 8.270 nan 0.000 0.474 296 K N 0.306 120.660 120.400 -0.078 0.000 2.507 296 K HA 0.373 4.693 4.320 0.001 0.000 0.252 296 K C -1.091 175.443 176.600 -0.110 0.000 0.943 296 K CA -1.105 55.132 56.287 -0.084 0.000 0.808 296 K CB 1.813 34.273 32.500 -0.067 0.000 1.142 296 K HN 0.627 nan 8.250 nan 0.000 0.426 297 K N 2.595 122.922 120.400 -0.121 0.000 2.319 297 K HA 0.127 4.448 4.320 0.001 0.000 0.265 297 K C -0.686 175.808 176.600 -0.177 0.000 1.000 297 K CA -0.584 55.604 56.287 -0.166 0.000 0.943 297 K CB 0.579 32.999 32.500 -0.133 0.000 0.950 297 K HN 0.440 nan 8.250 nan 0.000 0.485 298 K N 2.096 122.323 120.400 -0.288 0.000 2.436 298 K HA 0.016 4.337 4.320 0.001 0.000 0.275 298 K C -0.139 176.389 176.600 -0.120 0.000 0.999 298 K CA 0.208 56.344 56.287 -0.252 0.000 0.980 298 K CB 0.439 32.662 32.500 -0.462 0.000 0.919 298 K HN 0.448 nan 8.250 nan 0.000 0.484 299 R N 2.985 123.461 120.500 -0.039 0.000 2.343 299 R HA 0.438 4.779 4.340 0.001 0.000 0.320 299 R C -0.342 175.998 176.300 0.068 0.000 0.956 299 R CA -0.534 55.575 56.100 0.014 0.000 0.836 299 R CB 0.770 31.064 30.300 -0.010 0.000 1.151 299 R HN 0.647 nan 8.270 nan 0.000 0.450 300 I N -0.974 119.661 120.570 0.109 0.000 2.865 300 I HA 0.525 4.695 4.170 0.001 0.000 0.302 300 I C -1.265 174.928 176.117 0.128 0.000 1.140 300 I CA -1.118 60.268 61.300 0.143 0.000 1.021 300 I CB 2.117 40.229 38.000 0.187 0.000 1.233 300 I HN 0.384 nan 8.210 nan 0.000 0.427 301 F N 4.362 124.331 119.950 0.031 0.000 2.371 301 F HA 0.827 5.354 4.527 0.001 0.000 0.363 301 F C -0.101 175.744 175.800 0.075 0.000 1.122 301 F CA -0.137 57.855 58.000 -0.014 0.000 1.129 301 F CB 0.814 39.764 39.000 -0.083 0.000 1.173 301 F HN 0.803 nan 8.300 nan 0.000 0.489 302 A N 5.158 127.857 122.820 -0.200 0.000 2.572 302 A HA 0.800 5.121 4.320 0.001 0.000 0.295 302 A C -1.462 176.049 177.584 -0.122 0.000 1.072 302 A CA -0.387 51.657 52.037 0.011 0.000 0.691 302 A CB 1.447 20.465 19.000 0.031 0.000 1.291 302 A HN 1.042 nan 8.150 nan 0.000 0.404 303 V N -0.864 119.086 119.914 0.060 0.000 3.046 303 V HA 1.007 5.127 4.120 0.001 0.000 0.316 303 V C -0.157 175.977 176.094 0.067 0.000 1.104 303 V CA -0.094 62.225 62.300 0.031 0.000 1.006 303 V CB 1.461 33.339 31.823 0.091 0.000 1.058 303 V HN 1.913 nan 8.190 nan 0.000 0.440 304 S N 0.849 116.603 115.700 0.091 0.000 2.579 304 S HA 0.895 5.366 4.470 0.001 0.000 0.272 304 S C -0.473 174.204 174.600 0.130 0.000 1.141 304 S CA 0.001 58.254 58.200 0.088 0.000 0.843 304 S CB 1.655 64.885 63.200 0.050 0.000 1.122 304 S HN 2.199 nan 8.310 nan 0.000 0.468 305 S N -0.057 115.661 115.700 0.031 0.000 2.715 305 S HA 0.736 5.207 4.470 0.001 0.000 0.307 305 S C -2.492 172.026 174.600 -0.135 0.000 1.119 305 S CA -1.673 56.471 58.200 -0.094 0.000 0.937 305 S CB 0.889 64.037 63.200 -0.087 0.000 1.150 305 S HN 0.424 nan 8.310 nan 0.000 0.521 306 P HA -0.071 nan 4.420 nan 0.000 0.216 306 P C 1.253 178.510 177.300 -0.071 0.000 1.150 306 P CA 1.718 64.705 63.100 -0.188 0.000 0.837 306 P CB -0.050 31.417 31.700 -0.388 0.000 0.786 307 S N -3.380 112.273 115.700 -0.079 0.000 2.523 307 S HA 0.175 4.646 4.470 0.001 0.000 0.217 307 S C 0.607 175.207 174.600 -0.001 0.000 0.996 307 S CA -0.225 57.965 58.200 -0.015 0.000 0.921 307 S CB -0.152 63.044 63.200 -0.008 0.000 0.829 307 S HN -0.019 nan 8.310 nan 0.000 0.495 308 K N 0.704 121.099 120.400 -0.008 0.000 2.507 308 K HA 0.541 4.861 4.320 0.001 0.000 0.251 308 K C -2.090 174.519 176.600 0.015 0.000 0.943 308 K CA -0.885 55.405 56.287 0.005 0.000 0.794 308 K CB 1.672 34.175 32.500 0.005 0.000 1.188 308 K HN 0.200 nan 8.250 nan 0.000 0.428 309 L N 4.946 126.178 121.223 0.014 0.000 2.296 309 L HA 0.469 4.810 4.340 0.001 0.000 0.286 309 L C -1.466 175.426 176.870 0.037 0.000 1.023 309 L CA -0.474 54.377 54.840 0.018 0.000 0.812 309 L CB 1.790 43.840 42.059 -0.016 0.000 1.223 309 L HN 0.390 nan 8.230 nan 0.000 0.421 310 V N 4.394 124.347 119.914 0.066 0.000 2.334 310 V HA 0.444 4.564 4.120 0.001 0.000 0.281 310 V C 0.037 176.219 176.094 0.146 0.000 1.016 310 V CA -0.443 61.907 62.300 0.083 0.000 0.832 310 V CB 1.399 33.244 31.823 0.036 0.000 0.999 310 V HN 0.864 nan 8.190 nan 0.000 0.439 311 T N 5.126 119.783 114.554 0.172 0.000 2.837 311 T HA 0.452 4.803 4.350 0.001 0.000 0.285 311 T C 0.071 174.897 174.700 0.211 0.000 0.984 311 T CA -0.071 62.178 62.100 0.247 0.000 1.049 311 T CB 0.712 69.698 68.868 0.197 0.000 0.947 311 T HN 0.376 nan 8.240 nan 0.000 0.472 312 F N 3.066 123.087 119.950 0.118 0.000 2.669 312 F HA 0.156 4.683 4.527 0.001 0.000 0.353 312 F C 1.096 176.901 175.800 0.007 0.000 1.192 312 F CA -0.670 57.324 58.000 -0.010 0.000 1.317 312 F CB -0.040 38.971 39.000 0.018 0.000 1.652 312 F HN 0.569 nan 8.300 nan 0.000 0.608 313 D N -1.212 119.286 120.400 0.162 0.000 2.462 313 D HA 0.031 4.671 4.640 0.001 0.000 0.221 313 D C 0.198 176.621 176.300 0.205 0.000 1.173 313 D CA 0.057 54.163 54.000 0.177 0.000 0.831 313 D CB -0.213 40.697 40.800 0.184 0.000 1.001 313 D HN 0.400 nan 8.370 nan 0.000 0.499 314 H N -2.595 116.485 119.070 0.017 0.000 2.981 314 H HA 0.301 4.858 4.556 0.001 0.000 0.327 314 H C -1.539 173.793 175.328 0.007 0.000 1.342 314 H CA -1.198 54.867 56.048 0.027 0.000 1.123 314 H CB 0.021 29.790 29.762 0.011 0.000 1.851 314 H HN -0.121 nan 8.280 nan 0.000 0.531 315 F N 2.153 122.035 119.950 -0.115 0.000 2.541 315 F HA 0.304 4.831 4.527 0.001 0.000 0.378 315 F C -0.486 175.134 175.800 -0.300 0.000 1.068 315 F CA -0.094 57.807 58.000 -0.165 0.000 1.199 315 F CB 0.360 39.334 39.000 -0.042 0.000 1.091 315 F HN 0.302 nan 8.300 nan 0.000 0.555 316 V N 7.876 127.147 119.914 -1.071 0.000 2.333 316 V HA 0.190 4.310 4.120 0.001 0.000 0.274 316 V C -0.263 175.371 176.094 -0.767 0.000 1.028 316 V CA -0.854 60.918 62.300 -0.881 0.000 0.851 316 V CB 1.028 32.157 31.823 -1.157 0.000 1.000 316 V HN 0.532 nan 8.190 nan 0.000 0.456 317 V N 7.275 126.995 119.914 -0.322 0.000 2.455 317 V HA 0.310 4.431 4.120 0.001 0.000 0.273 317 V C 0.150 176.189 176.094 -0.092 0.000 1.045 317 V CA 0.050 62.292 62.300 -0.098 0.000 0.976 317 V CB 0.910 32.786 31.823 0.088 0.000 0.993 317 V HN 0.649 nan 8.190 nan 0.000 0.475 318 I N 4.743 125.273 120.570 -0.067 0.000 2.359 318 I HA 0.396 4.567 4.170 0.001 0.000 0.284 318 I C 1.080 177.194 176.117 -0.006 0.000 1.018 318 I CA -0.260 61.018 61.300 -0.036 0.000 1.173 318 I CB 1.354 39.338 38.000 -0.027 0.000 1.326 318 I HN 0.688 nan 8.210 nan 0.000 0.462 319 G N 4.495 113.294 108.800 -0.002 0.000 2.340 319 G HA2 0.067 4.027 3.960 0.001 0.000 0.245 319 G HA3 0.067 4.027 3.960 0.001 0.000 0.245 319 G C 0.802 175.696 174.900 -0.010 0.000 1.294 319 G CA -0.289 44.813 45.100 0.004 0.000 0.896 319 G HN 0.907 nan 8.290 nan 0.000 0.522 320 E N 1.941 122.137 120.200 -0.007 0.000 2.474 320 E HA 0.033 4.383 4.350 0.001 0.000 0.194 320 E C 1.584 178.161 176.600 -0.039 0.000 1.041 320 E CA -0.342 56.043 56.400 -0.026 0.000 0.874 320 E CB 0.165 29.855 29.700 -0.016 0.000 0.914 320 E HN 0.408 nan 8.360 nan 0.000 0.498 321 R N 0.920 121.405 120.500 -0.025 0.000 2.235 321 R HA 0.134 4.475 4.340 0.001 0.000 0.213 321 R C 0.782 177.062 176.300 -0.033 0.000 1.059 321 R CA 0.436 56.523 56.100 -0.022 0.000 0.997 321 R CB -0.146 30.152 30.300 -0.002 0.000 0.884 321 R HN 0.302 nan 8.270 nan 0.000 0.462 322 I N 2.576 123.114 120.570 -0.054 0.000 2.204 322 I HA 0.053 4.224 4.170 0.001 0.000 0.291 322 I C -0.010 176.032 176.117 -0.124 0.000 1.153 322 I CA -0.047 61.205 61.300 -0.080 0.000 1.546 322 I CB -0.382 37.558 38.000 -0.100 0.000 1.490 322 I HN -0.074 nan 8.210 nan 0.000 0.697 323 N N 6.029 124.679 118.700 -0.083 0.000 2.616 323 N HA 0.225 4.965 4.740 0.001 0.000 0.281 323 N C -2.360 173.115 175.510 -0.058 0.000 1.145 323 N CA -1.240 51.752 53.050 -0.096 0.000 0.919 323 N CB 2.566 40.986 38.487 -0.111 0.000 1.509 323 N HN -0.040 nan 8.380 nan 0.000 0.537 324 P HA 0.103 nan 4.420 nan 0.000 0.245 324 P C 0.166 177.404 177.300 -0.103 0.000 1.206 324 P CA 0.115 63.233 63.100 0.030 0.000 0.781 324 P CB 0.124 31.969 31.700 0.240 0.000 0.994 325 A N 0.845 123.557 122.820 -0.180 0.000 2.545 325 A HA 0.377 4.697 4.320 0.001 0.000 0.253 325 A C 1.620 179.105 177.584 -0.166 0.000 1.074 325 A CA 0.732 52.637 52.037 -0.221 0.000 0.760 325 A CB -1.332 17.537 19.000 -0.220 0.000 1.005 325 A HN 0.360 nan 8.150 nan 0.000 0.506 326 G N 2.531 111.240 108.800 -0.151 0.000 2.175 326 G HA2 -0.285 3.675 3.960 0.001 0.000 0.265 326 G HA3 -0.285 3.675 3.960 0.001 0.000 0.265 326 G C 0.331 175.207 174.900 -0.040 0.000 0.979 326 G CA 0.779 45.823 45.100 -0.094 0.000 0.663 326 G HN 0.973 nan 8.290 nan 0.000 0.533 327 R N -0.252 120.235 120.500 -0.022 0.000 2.312 327 R HA 0.597 4.938 4.340 0.001 0.000 0.310 327 R C 1.316 177.678 176.300 0.103 0.000 1.064 327 R CA 0.198 56.320 56.100 0.035 0.000 0.983 327 R CB 1.012 31.334 30.300 0.037 0.000 1.139 327 R HN 0.254 nan 8.270 nan 0.000 0.536 328 K N 2.579 123.037 120.400 0.097 0.000 2.025 328 K HA -0.202 4.119 4.320 0.001 0.000 0.207 328 K C 1.963 178.649 176.600 0.144 0.000 1.049 328 K CA 1.923 58.293 56.287 0.138 0.000 0.933 328 K CB -0.110 32.444 32.500 0.090 0.000 0.714 328 K HN 0.345 nan 8.250 nan 0.000 0.438 329 K N 0.236 120.694 120.400 0.096 0.000 2.062 329 K HA 0.016 4.337 4.320 0.001 0.000 0.205 329 K C 2.001 178.651 176.600 0.083 0.000 1.051 329 K CA 1.365 57.695 56.287 0.072 0.000 0.941 329 K CB -0.403 32.128 32.500 0.050 0.000 0.719 329 K HN 0.227 nan 8.250 nan 0.000 0.440 330 L N 0.395 121.686 121.223 0.112 0.000 2.046 330 L HA -0.069 4.271 4.340 0.001 0.000 0.208 330 L C 2.127 179.115 176.870 0.198 0.000 1.077 330 L CA 1.733 56.651 54.840 0.131 0.000 0.747 330 L CB -0.624 41.508 42.059 0.122 0.000 0.896 330 L HN 0.499 nan 8.230 nan 0.000 0.432 331 W N -0.058 121.250 121.300 0.013 0.000 2.388 331 W HA -0.201 4.460 4.660 0.001 0.000 0.294 331 W C 2.115 178.636 176.519 0.003 0.000 1.212 331 W CA 1.172 58.526 57.345 0.014 0.000 1.271 331 W CB 0.005 29.469 29.460 0.006 0.000 1.126 331 W HN 0.355 nan 8.180 nan 0.000 0.535 332 A N 0.994 123.756 122.820 -0.096 0.000 1.865 332 A HA -0.253 4.067 4.320 0.001 0.000 0.217 332 A C 1.776 179.215 177.584 -0.242 0.000 1.191 332 A CA 1.967 53.875 52.037 -0.215 0.000 0.623 332 A CB -0.927 18.028 19.000 -0.075 0.000 0.826 332 A HN 0.241 nan 8.150 nan 0.000 0.444 333 E N -0.231 119.894 120.200 -0.124 0.000 2.110 333 E HA -0.147 4.203 4.350 0.001 0.000 0.193 333 E C 2.074 178.563 176.600 -0.185 0.000 0.988 333 E CA 1.163 57.500 56.400 -0.105 0.000 0.804 333 E CB -0.538 29.157 29.700 -0.008 0.000 0.745 333 E HN 0.708 nan 8.360 nan 0.000 0.458 334 M N 0.334 119.837 119.600 -0.160 0.000 2.159 334 M HA -0.188 4.293 4.480 0.001 0.000 0.263 334 M C 2.199 178.176 176.300 -0.539 0.000 1.063 334 M CA 1.458 56.630 55.300 -0.214 0.000 1.110 334 M CB -0.285 32.390 32.600 0.126 0.000 1.374 334 M HN 0.085 nan 8.290 nan 0.000 0.411 335 Q N 0.465 119.906 119.800 -0.599 0.000 2.297 335 Q HA -0.138 4.203 4.340 0.001 0.000 0.204 335 Q C 1.314 177.064 176.000 -0.416 0.000 0.962 335 Q CA 0.985 56.436 55.803 -0.587 0.000 0.879 335 Q CB 0.037 28.332 28.738 -0.738 0.000 0.947 335 Q HN 0.563 nan 8.270 nan 0.000 0.462 336 K N -1.344 118.834 120.400 -0.370 0.000 2.437 336 K HA 0.266 4.587 4.320 0.001 0.000 0.205 336 K C 0.544 176.965 176.600 -0.300 0.000 1.026 336 K CA 0.424 56.547 56.287 -0.273 0.000 1.153 336 K CB 0.519 32.907 32.500 -0.186 0.000 0.863 336 K HN 0.059 nan 8.250 nan 0.000 0.502 337 G N 1.997 110.469 108.800 -0.547 0.000 2.221 337 G HA2 -0.295 3.665 3.960 0.001 0.000 0.265 337 G HA3 -0.295 3.665 3.960 0.001 0.000 0.265 337 G C -0.633 174.141 174.900 -0.210 0.000 1.041 337 G CA 0.076 44.760 45.100 -0.693 0.000 0.807 337 G HN 0.546 nan 8.290 nan 0.000 0.502 338 N N 0.315 118.931 118.700 -0.140 0.000 2.452 338 N HA 0.262 5.003 4.740 0.001 0.000 0.266 338 N C 1.185 176.870 175.510 0.291 0.000 1.175 338 N CA 0.242 53.336 53.050 0.074 0.000 0.945 338 N CB 0.583 39.085 38.487 0.024 0.000 1.063 338 N HN 0.574 nan 8.380 nan 0.000 0.472 339 E N 2.023 122.381 120.200 0.263 0.000 2.244 339 E HA 0.019 4.369 4.350 0.001 0.000 0.196 339 E C 0.717 177.415 176.600 0.163 0.000 0.939 339 E CA 0.144 56.698 56.400 0.257 0.000 0.884 339 E CB 0.300 30.142 29.700 0.237 0.000 0.850 339 E HN 0.592 nan 8.360 nan 0.000 0.481 340 E N 1.047 121.322 120.200 0.126 0.000 2.153 340 E HA -0.171 4.179 4.350 0.001 0.000 0.194 340 E C 2.060 178.708 176.600 0.081 0.000 0.988 340 E CA 0.613 57.067 56.400 0.089 0.000 0.811 340 E CB -0.034 29.708 29.700 0.070 0.000 0.746 340 E HN 0.314 nan 8.360 nan 0.000 0.466 341 I N 0.242 120.867 120.570 0.091 0.000 2.252 341 I HA -0.222 3.948 4.170 0.001 0.000 0.245 341 I C 2.099 178.266 176.117 0.083 0.000 1.102 341 I CA 0.738 62.087 61.300 0.080 0.000 1.385 341 I CB 0.171 38.219 38.000 0.080 0.000 1.064 341 I HN -0.127 nan 8.210 nan 0.000 0.414 342 V N 1.141 121.120 119.914 0.109 0.000 2.427 342 V HA -0.254 3.866 4.120 0.001 0.000 0.248 342 V C 2.286 178.420 176.094 0.066 0.000 1.051 342 V CA 1.836 64.190 62.300 0.090 0.000 1.048 342 V CB -0.379 31.514 31.823 0.117 0.000 0.666 342 V HN 0.383 nan 8.190 nan 0.000 0.456 343 I N -0.052 120.561 120.570 0.072 0.000 2.179 343 I HA -0.252 3.918 4.170 0.001 0.000 0.242 343 I C 2.594 178.738 176.117 0.046 0.000 1.088 343 I CA 1.747 63.081 61.300 0.057 0.000 1.357 343 I CB -0.431 37.604 38.000 0.058 0.000 1.051 343 I HN 0.264 nan 8.210 nan 0.000 0.409 344 K N 1.089 121.517 120.400 0.047 0.000 2.032 344 K HA -0.289 4.032 4.320 0.001 0.000 0.209 344 K C 2.080 178.701 176.600 0.034 0.000 1.048 344 K CA 2.048 58.358 56.287 0.038 0.000 0.927 344 K CB -0.097 32.426 32.500 0.039 0.000 0.712 344 K HN 0.084 nan 8.250 nan 0.000 0.441 345 E N 0.352 120.574 120.200 0.036 0.000 2.118 345 E HA -0.148 4.202 4.350 0.001 0.000 0.195 345 E C 1.651 178.265 176.600 0.023 0.000 0.992 345 E CA 1.527 57.944 56.400 0.029 0.000 0.804 345 E CB -0.225 29.492 29.700 0.028 0.000 0.741 345 E HN 0.441 nan 8.360 nan 0.000 0.458 346 A N 0.649 123.485 122.820 0.026 0.000 1.858 346 A HA -0.204 4.116 4.320 0.001 0.000 0.216 346 A C 2.063 179.662 177.584 0.025 0.000 1.190 346 A CA 1.831 53.883 52.037 0.024 0.000 0.617 346 A CB -0.403 18.616 19.000 0.031 0.000 0.827 346 A HN 0.166 nan 8.150 nan 0.000 0.443 347 K N -0.813 119.604 120.400 0.027 0.000 2.057 347 K HA -0.080 4.240 4.320 0.001 0.000 0.206 347 K C 2.136 178.750 176.600 0.023 0.000 1.050 347 K CA 1.686 57.988 56.287 0.025 0.000 0.935 347 K CB -0.389 32.126 32.500 0.026 0.000 0.715 347 K HN 0.539 nan 8.250 nan 0.000 0.439 348 T N 1.610 116.177 114.554 0.023 0.000 2.684 348 T HA -0.194 4.156 4.350 0.001 0.000 0.267 348 T C 1.888 176.601 174.700 0.021 0.000 1.036 348 T CA 1.293 63.406 62.100 0.022 0.000 1.148 348 T CB -0.243 68.638 68.868 0.022 0.000 0.863 348 T HN 0.290 nan 8.240 nan 0.000 0.436 349 Q N 0.245 120.058 119.800 0.021 0.000 2.096 349 Q HA -0.091 4.250 4.340 0.001 0.000 0.204 349 Q C 2.625 178.638 176.000 0.021 0.000 0.982 349 Q CA 1.281 57.096 55.803 0.020 0.000 0.850 349 Q CB -0.477 28.271 28.738 0.017 0.000 0.901 349 Q HN 0.355 nan 8.270 nan 0.000 0.422 350 V N 1.009 120.936 119.914 0.021 0.000 2.358 350 V HA -0.253 3.868 4.120 0.001 0.000 0.246 350 V C 1.854 177.960 176.094 0.021 0.000 1.047 350 V CA 1.949 64.261 62.300 0.020 0.000 1.035 350 V CB -0.491 31.344 31.823 0.020 0.000 0.658 350 V HN 0.345 nan 8.190 nan 0.000 0.452 351 E N -0.205 120.007 120.200 0.020 0.000 2.118 351 E HA -0.244 4.107 4.350 0.001 0.000 0.195 351 E C 2.048 178.660 176.600 0.020 0.000 0.992 351 E CA 1.096 57.507 56.400 0.019 0.000 0.804 351 E CB -0.088 29.623 29.700 0.018 0.000 0.741 351 E HN 0.292 nan 8.360 nan 0.000 0.458 352 K N -1.193 119.220 120.400 0.022 0.000 2.486 352 K HA 0.071 4.392 4.320 0.001 0.000 0.194 352 K C 0.931 177.548 176.600 0.029 0.000 1.033 352 K CA 0.748 57.049 56.287 0.023 0.000 1.004 352 K CB 0.666 33.180 32.500 0.023 0.000 0.798 352 K HN 0.263 nan 8.250 nan 0.000 0.495 353 G N -1.178 107.640 108.800 0.030 0.000 2.205 353 G HA2 -0.150 3.811 3.960 0.001 0.000 0.180 353 G HA3 -0.150 3.811 3.960 0.001 0.000 0.180 353 G C 0.113 175.038 174.900 0.041 0.000 1.004 353 G CA -0.187 44.936 45.100 0.038 0.000 0.670 353 G HN 0.419 nan 8.290 nan 0.000 0.496 354 A N 0.317 123.156 122.820 0.032 0.000 2.520 354 A HA 0.609 4.930 4.320 0.001 0.000 0.245 354 A C 0.977 178.569 177.584 0.013 0.000 1.072 354 A CA 1.135 53.184 52.037 0.021 0.000 0.761 354 A CB 0.234 19.244 19.000 0.017 0.000 1.004 354 A HN 0.425 nan 8.150 nan 0.000 0.499 355 E N 1.046 121.243 120.200 -0.005 0.000 2.447 355 E HA 0.191 4.542 4.350 0.001 0.000 0.204 355 E C -0.565 176.028 176.600 -0.011 0.000 0.977 355 E CA 0.305 56.702 56.400 -0.006 0.000 0.950 355 E CB 0.713 30.405 29.700 -0.013 0.000 0.975 355 E HN 0.496 nan 8.360 nan 0.000 0.496 356 V N 1.527 121.430 119.914 -0.019 0.000 2.876 356 V HA 0.380 4.500 4.120 0.001 0.000 0.312 356 V C -0.823 175.272 176.094 0.003 0.000 1.085 356 V CA -0.772 61.530 62.300 0.004 0.000 0.945 356 V CB 2.300 34.130 31.823 0.011 0.000 1.017 356 V HN 0.044 nan 8.190 nan 0.000 0.428 357 L N 2.364 123.593 121.223 0.011 0.000 2.325 357 L HA 0.520 4.860 4.340 0.001 0.000 0.281 357 L C -0.530 176.328 176.870 -0.020 0.000 1.004 357 L CA -0.458 54.381 54.840 -0.002 0.000 0.823 357 L CB 1.777 43.841 42.059 0.007 0.000 1.236 357 L HN 0.634 nan 8.230 nan 0.000 0.415 358 D N 2.290 122.666 120.400 -0.039 0.000 2.390 358 D HA 0.339 4.979 4.640 0.001 0.000 0.249 358 D C -0.925 175.315 176.300 -0.099 0.000 1.144 358 D CA 0.118 54.076 54.000 -0.070 0.000 0.880 358 D CB 1.190 41.945 40.800 -0.074 0.000 1.182 358 D HN 0.104 nan 8.370 nan 0.000 0.451 359 V N 5.398 125.234 119.914 -0.129 0.000 2.443 359 V HA 0.402 4.522 4.120 0.001 0.000 0.293 359 V C -0.187 175.711 176.094 -0.327 0.000 1.021 359 V CA -0.933 61.227 62.300 -0.233 0.000 0.848 359 V CB 1.413 33.132 31.823 -0.172 0.000 0.998 359 V HN 0.649 nan 8.190 nan 0.000 0.424 360 N N 3.379 121.811 118.700 -0.447 0.000 2.242 360 N HA 0.466 5.206 4.740 0.001 0.000 0.292 360 N C -0.886 174.362 175.510 -0.437 0.000 1.125 360 N CA -0.450 52.396 53.050 -0.340 0.000 0.783 360 N CB 2.296 40.683 38.487 -0.167 0.000 1.558 360 N HN 0.407 nan 8.380 nan 0.000 0.472 361 F N 1.354 121.360 119.950 0.094 0.000 2.654 361 F HA 0.318 4.846 4.527 0.001 0.000 0.303 361 F C 1.697 177.644 175.800 0.246 0.000 1.099 361 F CA 0.457 58.580 58.000 0.204 0.000 1.270 361 F CB 0.370 39.493 39.000 0.204 0.000 1.024 361 F HN 0.818 nan 8.300 nan 0.000 0.548 362 G N 1.669 110.546 108.800 0.130 0.000 2.565 362 G HA2 -0.345 3.616 3.960 0.001 0.000 0.295 362 G HA3 -0.345 3.616 3.960 0.001 0.000 0.295 362 G C 0.113 174.947 174.900 -0.111 0.000 1.165 362 G CA -0.098 44.899 45.100 -0.173 0.000 0.977 362 G HN 0.137 nan 8.290 nan 0.000 0.546 363 I N 2.431 122.859 120.570 -0.238 0.000 2.357 363 I HA 0.201 4.371 4.170 0.001 0.000 0.300 363 I C 1.469 177.766 176.117 0.299 0.000 1.159 363 I CA 0.145 61.480 61.300 0.058 0.000 1.339 363 I CB 0.695 38.762 38.000 0.111 0.000 1.458 363 I HN 0.600 nan 8.210 nan 0.000 0.577 364 E N 2.612 122.930 120.200 0.196 0.000 2.153 364 E HA -0.188 4.162 4.350 0.001 0.000 0.194 364 E C 2.131 178.818 176.600 0.146 0.000 0.988 364 E CA 1.508 58.026 56.400 0.198 0.000 0.811 364 E CB 0.092 29.877 29.700 0.141 0.000 0.746 364 E HN 0.811 nan 8.360 nan 0.000 0.466 365 S N 0.516 116.288 115.700 0.119 0.000 2.442 365 S HA -0.209 4.262 4.470 0.001 0.000 0.236 365 S C 1.929 176.583 174.600 0.090 0.000 1.007 365 S CA 1.042 59.292 58.200 0.083 0.000 0.965 365 S CB 0.010 63.251 63.200 0.067 0.000 0.773 365 S HN 0.083 nan 8.310 nan 0.000 0.504 366 Q N 0.148 120.039 119.800 0.152 0.000 2.392 366 Q HA 0.343 4.683 4.340 0.001 0.000 0.203 366 Q C -0.264 175.754 176.000 0.030 0.000 0.917 366 Q CA 0.192 56.063 55.803 0.113 0.000 0.939 366 Q CB 0.186 29.059 28.738 0.225 0.000 1.063 366 Q HN 0.481 nan 8.270 nan 0.000 0.516 367 I N 1.070 121.687 120.570 0.079 0.000 2.437 367 I HA 0.191 4.361 4.170 0.001 0.000 0.298 367 I C -0.250 175.870 176.117 0.004 0.000 0.984 367 I CA -0.985 60.337 61.300 0.036 0.000 1.214 367 I CB 1.260 39.359 38.000 0.165 0.000 1.365 367 I HN 0.008 nan 8.210 nan 0.000 0.469 368 D N 4.632 125.022 120.400 -0.017 0.000 2.358 368 D HA 0.080 4.720 4.640 0.001 0.000 0.258 368 D C 1.151 177.455 176.300 0.006 0.000 1.223 368 D CA 0.005 54.001 54.000 -0.007 0.000 0.886 368 D CB 1.277 42.067 40.800 -0.017 0.000 1.120 368 D HN 0.277 nan 8.370 nan 0.000 0.482 369 V N 5.435 125.329 119.914 -0.033 0.000 2.380 369 V HA -0.273 3.848 4.120 0.001 0.000 0.251 369 V C 2.418 178.473 176.094 -0.065 0.000 1.063 369 V CA 1.803 64.059 62.300 -0.072 0.000 1.055 369 V CB -0.471 31.315 31.823 -0.061 0.000 0.657 369 V HN 0.613 nan 8.190 nan 0.000 0.455 370 R N -1.470 119.015 120.500 -0.024 0.000 2.148 370 R HA -0.161 4.180 4.340 0.001 0.000 0.227 370 R C 2.252 178.560 176.300 0.013 0.000 1.103 370 R CA 1.680 57.770 56.100 -0.017 0.000 0.983 370 R CB -0.374 29.918 30.300 -0.014 0.000 0.874 370 R HN 0.710 nan 8.270 nan 0.000 0.451 371 Y N 0.669 120.912 120.300 -0.095 0.000 2.184 371 Y HA -0.188 4.363 4.550 0.001 0.000 0.290 371 Y C 2.105 177.949 175.900 -0.093 0.000 1.129 371 Y CA 1.104 59.163 58.100 -0.068 0.000 1.144 371 Y CB 0.009 38.434 38.460 -0.057 0.000 0.995 371 Y HN -0.248 nan 8.280 nan 0.000 0.513 372 V N 0.998 120.715 119.914 -0.329 0.000 2.261 372 V HA -0.318 3.802 4.120 0.001 0.000 0.246 372 V C 2.090 178.015 176.094 -0.282 0.000 1.047 372 V CA 2.397 64.323 62.300 -0.623 0.000 1.015 372 V CB -0.675 30.686 31.823 -0.769 0.000 0.642 372 V HN 0.448 nan 8.190 nan 0.000 0.446 373 E N -0.191 119.903 120.200 -0.176 0.000 2.097 373 E HA -0.314 4.037 4.350 0.001 0.000 0.196 373 E C 2.259 178.842 176.600 -0.029 0.000 1.000 373 E CA 1.698 58.047 56.400 -0.086 0.000 0.804 373 E CB -0.162 29.501 29.700 -0.062 0.000 0.740 373 E HN 0.503 nan 8.360 nan 0.000 0.454 374 K N 0.342 120.713 120.400 -0.048 0.000 2.062 374 K HA -0.106 4.214 4.320 0.001 0.000 0.205 374 K C 2.031 178.664 176.600 0.056 0.000 1.051 374 K CA 0.713 57.010 56.287 0.017 0.000 0.941 374 K CB 0.128 32.616 32.500 -0.020 0.000 0.719 374 K HN -0.005 nan 8.250 nan 0.000 0.440 375 I N 0.908 121.436 120.570 -0.071 0.000 2.179 375 I HA -0.226 3.945 4.170 0.001 0.000 0.242 375 I C 2.217 178.401 176.117 0.112 0.000 1.088 375 I CA 1.127 62.422 61.300 -0.008 0.000 1.357 375 I CB -0.918 37.050 38.000 -0.053 0.000 1.051 375 I HN 0.007 nan 8.210 nan 0.000 0.409 376 V N 0.835 120.826 119.914 0.128 0.000 2.407 376 V HA -0.296 3.825 4.120 0.001 0.000 0.248 376 V C 2.600 178.794 176.094 0.166 0.000 1.055 376 V CA 2.115 64.527 62.300 0.188 0.000 1.049 376 V CB -0.742 31.177 31.823 0.159 0.000 0.662 376 V HN 0.540 nan 8.190 nan 0.000 0.455 377 Q N -0.680 119.206 119.800 0.142 0.000 2.137 377 Q HA -0.150 4.191 4.340 0.001 0.000 0.198 377 Q C 2.123 178.279 176.000 0.261 0.000 0.960 377 Q CA 1.916 57.830 55.803 0.185 0.000 0.847 377 Q CB -0.078 28.794 28.738 0.224 0.000 0.915 377 Q HN 0.608 nan 8.270 nan 0.000 0.448 378 T N 1.538 116.224 114.554 0.221 0.000 2.732 378 T HA -0.026 4.324 4.350 0.001 0.000 0.261 378 T C 1.840 176.645 174.700 0.174 0.000 1.040 378 T CA 1.071 63.286 62.100 0.192 0.000 1.145 378 T CB -0.205 68.756 68.868 0.155 0.000 0.866 378 T HN 0.216 nan 8.240 nan 0.000 0.427 379 L N 0.953 122.254 121.223 0.130 0.000 2.043 379 L HA -0.098 4.243 4.340 0.001 0.000 0.212 379 L C -0.572 176.338 176.870 0.067 0.000 1.075 379 L CA 1.546 56.443 54.840 0.094 0.000 0.752 379 L CB -1.678 40.435 42.059 0.090 0.000 0.891 379 L HN 0.215 nan 8.230 nan 0.000 0.432 380 P HA -0.180 nan 4.420 nan 0.000 0.219 380 P C 1.074 178.267 177.300 -0.177 0.000 1.146 380 P CA 1.453 64.491 63.100 -0.103 0.000 0.808 380 P CB -0.016 31.522 31.700 -0.269 0.000 0.779 381 Y N -0.705 119.583 120.300 -0.020 0.000 2.184 381 Y HA -0.131 4.419 4.550 0.001 0.000 0.290 381 Y C 2.370 178.258 175.900 -0.021 0.000 1.129 381 Y CA 1.131 59.217 58.100 -0.024 0.000 1.144 381 Y CB -1.144 37.292 38.460 -0.040 0.000 0.995 381 Y HN -0.179 nan 8.280 nan 0.000 0.513 382 V N -2.753 117.240 119.914 0.131 0.000 2.535 382 V HA -0.085 4.035 4.120 0.001 0.000 0.246 382 V C 1.962 178.084 176.094 0.046 0.000 1.045 382 V CA 1.643 63.984 62.300 0.067 0.000 1.058 382 V CB -0.729 31.117 31.823 0.039 0.000 0.689 382 V HN 0.389 nan 8.190 nan 0.000 0.461 383 S N -0.461 115.264 115.700 0.042 0.000 2.501 383 S HA 0.010 4.481 4.470 0.001 0.000 0.220 383 S C 1.315 175.927 174.600 0.020 0.000 0.997 383 S CA 0.662 58.880 58.200 0.031 0.000 0.919 383 S CB -0.509 62.711 63.200 0.033 0.000 0.778 383 S HN 0.702 nan 8.310 nan 0.000 0.523 384 N N -0.064 118.640 118.700 0.008 0.000 2.967 384 N HA -0.136 4.604 4.740 0.001 0.000 0.212 384 N C 0.047 175.548 175.510 -0.015 0.000 0.884 384 N CA 1.257 54.301 53.050 -0.010 0.000 1.030 384 N CB -1.797 36.693 38.487 0.005 0.000 1.018 384 N HN 0.726 nan 8.380 nan 0.000 0.596 385 V N -1.971 117.945 119.914 0.004 0.000 2.881 385 V HA 0.810 4.930 4.120 0.001 0.000 0.316 385 V C -2.388 173.737 176.094 0.052 0.000 1.070 385 V CA -1.865 60.448 62.300 0.022 0.000 0.976 385 V CB 1.892 33.730 31.823 0.025 0.000 1.038 385 V HN -0.227 nan 8.190 nan 0.000 0.446 386 P HA 0.375 nan 4.420 nan 0.000 0.272 386 P C -0.860 176.522 177.300 0.136 0.000 1.240 386 P CA -0.157 63.040 63.100 0.163 0.000 0.791 386 P CB 0.361 32.142 31.700 0.136 0.000 0.978 387 L N 0.343 121.659 121.223 0.156 0.000 2.334 387 L HA 0.478 4.819 4.340 0.001 0.000 0.273 387 L C 0.539 177.350 176.870 -0.099 0.000 1.013 387 L CA -0.696 54.163 54.840 0.030 0.000 0.816 387 L CB 1.754 43.873 42.059 0.100 0.000 1.278 387 L HN 0.273 nan 8.230 nan 0.000 0.431 388 S N 2.982 118.643 115.700 -0.064 0.000 2.410 388 S HA 0.506 4.976 4.470 0.001 0.000 0.304 388 S C -0.459 174.077 174.600 -0.106 0.000 1.095 388 S CA -0.647 57.500 58.200 -0.088 0.000 1.089 388 S CB 0.037 63.199 63.200 -0.063 0.000 0.968 388 S HN 0.421 nan 8.310 nan 0.000 0.480 389 L N 4.753 125.912 121.223 -0.108 0.000 2.283 389 L HA 0.375 4.715 4.340 0.001 0.000 0.287 389 L C 0.065 176.833 176.870 -0.170 0.000 1.073 389 L CA -0.466 54.356 54.840 -0.029 0.000 0.822 389 L CB 0.676 42.813 42.059 0.131 0.000 1.186 389 L HN 0.577 nan 8.230 nan 0.000 0.436 390 D N 5.972 126.301 120.400 -0.119 0.000 2.479 390 D HA 0.460 5.100 4.640 0.001 0.000 0.247 390 D C -0.716 175.548 176.300 -0.061 0.000 1.119 390 D CA -0.141 53.744 54.000 -0.192 0.000 0.922 390 D CB 0.332 41.036 40.800 -0.160 0.000 1.014 390 D HN 0.269 nan 8.370 nan 0.000 0.510 391 I N 2.427 122.970 120.570 -0.046 0.000 2.569 391 I HA 0.177 4.348 4.170 0.001 0.000 0.290 391 I C 1.027 177.236 176.117 0.153 0.000 1.088 391 I CA -0.573 60.817 61.300 0.150 0.000 1.047 391 I CB 2.408 40.585 38.000 0.295 0.000 1.237 391 I HN 0.091 nan 8.210 nan 0.000 0.421 392 Q N 2.400 122.267 119.800 0.112 0.000 2.200 392 Q HA 0.101 4.441 4.340 0.001 0.000 0.197 392 Q C 0.882 176.943 176.000 0.100 0.000 0.953 392 Q CA 0.330 56.188 55.803 0.090 0.000 0.851 392 Q CB 0.156 28.919 28.738 0.041 0.000 0.938 392 Q HN 0.561 nan 8.270 nan 0.000 0.488 393 N N 1.438 120.190 118.700 0.087 0.000 2.411 393 N HA -0.064 4.676 4.740 0.001 0.000 0.265 393 N C 0.768 176.310 175.510 0.054 0.000 1.266 393 N CA -0.091 52.995 53.050 0.060 0.000 0.889 393 N CB 1.165 39.682 38.487 0.051 0.000 1.069 393 N HN -0.021 nan 8.380 nan 0.000 0.476 394 V N 3.393 123.324 119.914 0.029 0.000 2.626 394 V HA -0.198 3.923 4.120 0.001 0.000 0.252 394 V C 1.929 178.009 176.094 -0.023 0.000 1.067 394 V CA 1.794 64.093 62.300 -0.002 0.000 1.081 394 V CB -0.610 31.207 31.823 -0.011 0.000 0.686 394 V HN 0.705 nan 8.190 nan 0.000 0.468 395 D N 0.036 120.428 120.400 -0.014 0.000 2.097 395 D HA -0.148 4.493 4.640 0.001 0.000 0.197 395 D C 2.127 178.400 176.300 -0.044 0.000 0.984 395 D CA 1.127 55.110 54.000 -0.027 0.000 0.826 395 D CB -0.095 40.694 40.800 -0.019 0.000 0.973 395 D HN 0.307 nan 8.370 nan 0.000 0.460 396 L N 0.056 121.263 121.223 -0.027 0.000 2.083 396 L HA -0.151 4.189 4.340 0.001 0.000 0.209 396 L C 2.237 179.084 176.870 -0.039 0.000 1.083 396 L CA 1.366 56.183 54.840 -0.039 0.000 0.752 396 L CB -0.522 41.532 42.059 -0.009 0.000 0.899 396 L HN 0.201 nan 8.230 nan 0.000 0.433 397 T N -0.808 113.738 114.554 -0.012 0.000 2.684 397 T HA -0.297 4.054 4.350 0.001 0.000 0.267 397 T C 1.654 176.256 174.700 -0.164 0.000 1.036 397 T CA 1.889 63.958 62.100 -0.051 0.000 1.148 397 T CB -0.111 68.692 68.868 -0.108 0.000 0.863 397 T HN 0.403 nan 8.240 nan 0.000 0.436 398 E N 0.423 120.529 120.200 -0.156 0.000 2.051 398 E HA -0.187 4.164 4.350 0.001 0.000 0.192 398 E C 2.416 178.811 176.600 -0.342 0.000 0.991 398 E CA 1.064 57.333 56.400 -0.219 0.000 0.799 398 E CB 0.037 29.673 29.700 -0.107 0.000 0.748 398 E HN 0.184 nan 8.360 nan 0.000 0.449 399 R N 0.307 120.668 120.500 -0.231 0.000 2.096 399 R HA -0.123 4.218 4.340 0.001 0.000 0.240 399 R C 2.213 178.361 176.300 -0.253 0.000 1.139 399 R CA 1.612 57.572 56.100 -0.233 0.000 0.952 399 R CB -0.747 29.462 30.300 -0.151 0.000 0.854 399 R HN 0.309 nan 8.270 nan 0.000 0.436 400 A N 0.298 123.011 122.820 -0.179 0.000 1.873 400 A HA -0.102 4.219 4.320 0.001 0.000 0.215 400 A C 2.187 179.684 177.584 -0.144 0.000 1.186 400 A CA 1.233 53.206 52.037 -0.108 0.000 0.616 400 A CB -0.605 18.399 19.000 0.007 0.000 0.823 400 A HN 0.221 nan 8.150 nan 0.000 0.442 401 L N -1.319 119.769 121.223 -0.224 0.000 2.027 401 L HA -0.164 4.176 4.340 0.001 0.000 0.206 401 L C 2.813 179.450 176.870 -0.390 0.000 1.074 401 L CA 1.604 56.307 54.840 -0.228 0.000 0.745 401 L CB -0.468 41.460 42.059 -0.219 0.000 0.898 401 L HN 0.412 nan 8.230 nan 0.000 0.433 402 R N 0.072 120.082 120.500 -0.817 0.000 2.096 402 R HA -0.209 4.132 4.340 0.001 0.000 0.240 402 R C 1.956 177.647 176.300 -1.016 0.000 1.139 402 R CA 1.789 57.306 56.100 -0.972 0.000 0.952 402 R CB -0.221 29.495 30.300 -0.973 0.000 0.854 402 R HN 0.379 nan 8.270 nan 0.000 0.436 403 A N -0.901 121.437 122.820 -0.804 0.000 2.275 403 A HA -0.020 4.300 4.320 0.001 0.000 0.212 403 A C 0.117 177.508 177.584 -0.321 0.000 1.201 403 A CA -0.386 51.172 52.037 -0.799 0.000 0.843 403 A CB -0.095 18.688 19.000 -0.361 0.000 0.873 403 A HN 0.436 nan 8.150 nan 0.000 0.492 404 Y N 2.286 122.410 120.300 -0.293 0.000 2.496 404 Y HA 0.308 4.858 4.550 0.001 0.000 0.334 404 Y C -2.167 173.693 175.900 -0.066 0.000 1.080 404 Y CA -2.359 55.669 58.100 -0.120 0.000 1.355 404 Y CB 0.859 39.264 38.460 -0.092 0.000 1.193 404 Y HN 0.096 nan 8.280 nan 0.000 0.523 405 P HA 0.277 nan 4.420 nan 0.000 0.244 405 P C 0.041 176.961 177.300 -0.634 0.000 1.769 405 P CA 0.743 63.549 63.100 -0.490 0.000 1.102 405 P CB 0.040 31.560 31.700 -0.300 0.000 1.937 406 G N 1.436 110.027 108.800 -0.349 0.000 2.332 406 G HA2 0.021 3.982 3.960 0.001 0.000 0.265 406 G HA3 0.021 3.982 3.960 0.001 0.000 0.265 406 G C -1.626 173.402 174.900 0.213 0.000 1.329 406 G CA -0.953 44.115 45.100 -0.053 0.000 0.949 406 G HN 0.421 nan 8.290 nan 0.000 0.476 407 R N 0.800 121.426 120.500 0.210 0.000 2.215 407 R HA 0.588 4.929 4.340 0.001 0.000 0.336 407 R C 0.695 177.034 176.300 0.064 0.000 0.996 407 R CA 0.278 56.437 56.100 0.099 0.000 0.847 407 R CB 0.668 30.948 30.300 -0.034 0.000 1.127 407 R HN 0.878 nan 8.270 nan 0.000 0.465 408 S N 3.684 119.283 115.700 -0.168 0.000 2.693 408 S HA 0.358 4.829 4.470 0.001 0.000 0.276 408 S C -0.327 174.157 174.600 -0.194 0.000 1.192 408 S CA -0.935 56.977 58.200 -0.481 0.000 0.994 408 S CB 1.343 63.986 63.200 -0.929 0.000 1.012 408 S HN 0.469 nan 8.310 nan 0.000 0.550 409 L N 1.493 122.629 121.223 -0.144 0.000 2.295 409 L HA 0.624 4.965 4.340 0.001 0.000 0.285 409 L C -1.105 175.759 176.870 -0.009 0.000 1.035 409 L CA -0.813 54.003 54.840 -0.039 0.000 0.806 409 L CB 0.892 42.955 42.059 0.006 0.000 1.214 409 L HN 0.748 nan 8.230 nan 0.000 0.426 410 F N 5.199 125.101 119.950 -0.079 0.000 2.385 410 F HA 0.401 4.929 4.527 0.001 0.000 0.360 410 F C 0.276 176.049 175.800 -0.045 0.000 1.122 410 F CA -0.573 57.386 58.000 -0.068 0.000 1.090 410 F CB 0.604 39.574 39.000 -0.051 0.000 1.150 410 F HN 0.588 nan 8.300 nan 0.000 0.472 411 N N 4.628 122.761 118.700 -0.945 0.000 2.663 411 N HA 0.234 4.974 4.740 0.001 0.000 0.250 411 N C -1.187 173.822 175.510 -0.835 0.000 1.129 411 N CA 0.559 53.221 53.050 -0.647 0.000 0.995 411 N CB -0.058 38.194 38.487 -0.392 0.000 1.324 411 N HN 0.666 nan 8.380 nan 0.000 0.512 412 S N 0.996 116.364 115.700 -0.553 0.000 2.638 412 S HA 0.121 4.591 4.470 0.001 0.000 0.796 412 S C -1.493 173.093 174.600 -0.023 0.000 0.752 412 S CA -0.308 57.766 58.200 -0.210 0.000 1.604 412 S CB -1.283 61.805 63.200 -0.186 0.000 1.157 412 S HN 0.740 nan 8.310 nan 0.000 0.253 413 A N 5.589 128.427 122.820 0.031 0.000 2.330 413 A HA 0.790 5.110 4.320 0.001 0.000 0.327 413 A C 0.106 177.683 177.584 -0.010 0.000 1.155 413 A CA -0.782 51.276 52.037 0.036 0.000 0.803 413 A CB 0.999 20.020 19.000 0.035 0.000 1.208 413 A HN 0.744 nan 8.150 nan 0.000 0.477 414 K N 0.427 120.813 120.400 -0.023 0.000 2.117 414 K HA 0.417 4.738 4.320 0.001 0.000 0.240 414 K C -0.524 176.057 176.600 -0.030 0.000 1.031 414 K CA -0.550 55.706 56.287 -0.050 0.000 0.909 414 K CB 0.806 33.264 32.500 -0.070 0.000 1.097 414 K HN 0.370 nan 8.250 nan 0.000 0.492 415 V N 2.326 122.216 119.914 -0.040 0.000 2.313 415 V HA 0.054 4.175 4.120 0.001 0.000 0.252 415 V C -0.255 175.876 176.094 0.061 0.000 1.112 415 V CA 0.143 62.468 62.300 0.042 0.000 0.984 415 V CB -0.469 31.444 31.823 0.150 0.000 1.157 415 V HN 0.669 nan 8.190 nan 0.000 0.493 416 D N 3.681 124.094 120.400 0.022 0.000 2.764 416 D HA 0.138 4.779 4.640 0.001 0.000 0.227 416 D C 0.835 177.125 176.300 -0.016 0.000 1.347 416 D CA -0.410 53.600 54.000 0.015 0.000 0.953 416 D CB 1.881 42.684 40.800 0.005 0.000 1.476 416 D HN 0.309 nan 8.370 nan 0.000 0.585 417 E N 2.144 122.337 120.200 -0.012 0.000 2.095 417 E HA -0.272 4.078 4.350 0.001 0.000 0.212 417 E C 1.222 177.792 176.600 -0.051 0.000 1.044 417 E CA 1.483 57.863 56.400 -0.032 0.000 0.857 417 E CB 0.172 29.871 29.700 -0.002 0.000 0.764 417 E HN 0.701 nan 8.360 nan 0.000 0.462 418 E N 0.387 120.571 120.200 -0.027 0.000 2.072 418 E HA -0.191 4.160 4.350 0.001 0.000 0.191 418 E C 2.127 178.700 176.600 -0.045 0.000 0.985 418 E CA 0.925 57.309 56.400 -0.028 0.000 0.801 418 E CB 0.038 29.730 29.700 -0.013 0.000 0.750 418 E HN 0.269 nan 8.360 nan 0.000 0.452 419 E N 0.299 120.474 120.200 -0.042 0.000 2.072 419 E HA -0.151 4.199 4.350 0.001 0.000 0.190 419 E C 2.358 178.912 176.600 -0.078 0.000 0.982 419 E CA 0.477 56.851 56.400 -0.043 0.000 0.803 419 E CB 0.029 29.716 29.700 -0.021 0.000 0.755 419 E HN 0.267 nan 8.360 nan 0.000 0.453 420 L N 0.795 121.955 121.223 -0.106 0.000 2.017 420 L HA -0.185 4.155 4.340 0.001 0.000 0.208 420 L C 2.697 179.404 176.870 -0.272 0.000 1.073 420 L CA 1.529 56.263 54.840 -0.177 0.000 0.745 420 L CB -0.385 41.563 42.059 -0.185 0.000 0.894 420 L HN 0.271 nan 8.230 nan 0.000 0.432 421 E N 0.360 120.402 120.200 -0.262 0.000 2.070 421 E HA -0.313 4.037 4.350 0.001 0.000 0.197 421 E C 2.270 178.776 176.600 -0.157 0.000 1.004 421 E CA 2.037 58.297 56.400 -0.233 0.000 0.805 421 E CB -0.102 29.558 29.700 -0.067 0.000 0.744 421 E HN 0.490 nan 8.360 nan 0.000 0.451 422 M N -0.403 119.124 119.600 -0.123 0.000 2.254 422 M HA -0.067 4.414 4.480 0.001 0.000 0.265 422 M C 1.660 177.871 176.300 -0.149 0.000 1.066 422 M CA 1.451 56.688 55.300 -0.105 0.000 1.123 422 M CB 0.130 32.689 32.600 -0.069 0.000 1.388 422 M HN -0.149 nan 8.290 nan 0.000 0.425 423 K N 0.828 121.121 120.400 -0.178 0.000 2.137 423 K HA 0.150 4.471 4.320 0.001 0.000 0.202 423 K C 1.883 178.294 176.600 -0.315 0.000 1.052 423 K CA 1.109 57.260 56.287 -0.228 0.000 0.961 423 K CB -0.090 32.325 32.500 -0.143 0.000 0.741 423 K HN 0.367 nan 8.250 nan 0.000 0.452 424 I N 1.902 122.217 120.570 -0.425 0.000 2.264 424 I HA -0.322 3.849 4.170 0.001 0.000 0.248 424 I C 1.724 177.558 176.117 -0.471 0.000 1.111 424 I CA 1.048 61.896 61.300 -0.753 0.000 1.382 424 I CB -0.271 37.232 38.000 -0.829 0.000 1.060 424 I HN 0.217 nan 8.210 nan 0.000 0.418 425 N N 0.706 119.247 118.700 -0.266 0.000 2.216 425 N HA -0.065 4.676 4.740 0.001 0.000 0.183 425 N C 1.973 177.384 175.510 -0.166 0.000 1.017 425 N CA 1.099 54.050 53.050 -0.166 0.000 0.861 425 N CB -0.259 38.165 38.487 -0.105 0.000 0.986 425 N HN 0.323 nan 8.380 nan 0.000 0.428 426 L N 0.664 121.792 121.223 -0.158 0.000 2.046 426 L HA -0.113 4.227 4.340 0.001 0.000 0.208 426 L C 2.112 178.941 176.870 -0.068 0.000 1.077 426 L CA 0.899 55.683 54.840 -0.093 0.000 0.747 426 L CB -0.393 41.614 42.059 -0.087 0.000 0.896 426 L HN 0.107 nan 8.230 nan 0.000 0.432 427 L N -0.724 120.437 121.223 -0.103 0.000 2.217 427 L HA -0.143 4.197 4.340 0.001 0.000 0.211 427 L C 2.489 179.394 176.870 0.058 0.000 1.107 427 L CA 0.958 55.805 54.840 0.012 0.000 0.783 427 L CB -0.354 41.776 42.059 0.119 0.000 0.919 427 L HN 0.167 nan 8.230 nan 0.000 0.442 428 K N 0.118 120.519 120.400 0.001 0.000 2.148 428 K HA -0.186 4.134 4.320 0.001 0.000 0.204 428 K C 2.131 178.676 176.600 -0.092 0.000 1.050 428 K CA 1.065 57.362 56.287 0.017 0.000 0.942 428 K CB 0.045 32.544 32.500 -0.002 0.000 0.724 428 K HN 0.177 nan 8.250 nan 0.000 0.446 429 K N -0.248 120.015 120.400 -0.228 0.000 2.166 429 K HA -0.044 4.277 4.320 0.001 0.000 0.201 429 K C 1.073 177.382 176.600 -0.485 0.000 1.052 429 K CA 0.868 56.898 56.287 -0.428 0.000 0.969 429 K CB 0.266 32.354 32.500 -0.687 0.000 0.761 429 K HN 0.058 nan 8.250 nan 0.000 0.459 430 Y N 0.033 120.305 120.300 -0.046 0.000 2.458 430 Y HA 0.308 4.858 4.550 0.001 0.000 0.254 430 Y C 0.753 176.612 175.900 -0.068 0.000 1.120 430 Y CA 0.241 58.305 58.100 -0.060 0.000 1.282 430 Y CB 0.876 39.282 38.460 -0.091 0.000 1.109 430 Y HN 0.249 nan 8.280 nan 0.000 0.526 431 G N -0.383 108.444 108.800 0.045 0.000 2.712 431 G HA2 0.395 4.355 3.960 0.001 0.000 0.686 431 G HA3 0.395 4.355 3.960 0.001 0.000 0.686 431 G C -0.151 174.761 174.900 0.020 0.000 1.321 431 G CA -0.315 44.786 45.100 0.001 0.000 0.813 431 G HN 1.034 nan 8.290 nan 0.000 0.599 432 G N -1.299 107.490 108.800 -0.017 0.000 2.347 432 G HA2 0.657 4.618 3.960 0.001 0.000 0.477 432 G HA3 0.657 4.618 3.960 0.001 0.000 0.477 432 G C -0.212 174.665 174.900 -0.039 0.000 1.349 432 G CA 0.556 45.639 45.100 -0.030 0.000 1.000 432 G HN 2.810 nan 8.290 nan 0.000 0.605 433 T N -2.243 112.275 114.554 -0.061 0.000 2.942 433 T HA 0.810 5.161 4.350 0.001 0.000 0.289 433 T C -0.783 173.985 174.700 0.114 0.000 1.044 433 T CA -0.788 61.276 62.100 -0.060 0.000 1.023 433 T CB 2.213 70.935 68.868 -0.242 0.000 1.123 433 T HN 1.647 nan 8.240 nan 0.000 0.512 434 L N 0.952 122.275 121.223 0.166 0.000 2.386 434 L HA 0.651 4.991 4.340 0.001 0.000 0.271 434 L C -1.085 175.810 176.870 0.042 0.000 0.993 434 L CA -1.098 53.854 54.840 0.187 0.000 0.819 434 L CB 1.453 43.687 42.059 0.292 0.000 1.294 434 L HN 0.769 nan 8.230 nan 0.000 0.414 435 I N 5.358 125.924 120.570 -0.008 0.000 2.352 435 I HA 0.255 4.426 4.170 0.001 0.000 0.290 435 I C -0.533 175.534 176.117 -0.084 0.000 1.036 435 I CA -0.509 60.742 61.300 -0.081 0.000 1.336 435 I CB 1.254 39.198 38.000 -0.093 0.000 1.407 435 I HN 0.262 nan 8.210 nan 0.000 0.497 436 V N 7.772 127.591 119.914 -0.158 0.000 2.333 436 V HA 0.204 4.324 4.120 0.001 0.000 0.274 436 V C -0.047 176.067 176.094 0.034 0.000 1.028 436 V CA -0.622 61.621 62.300 -0.095 0.000 0.851 436 V CB 1.430 33.123 31.823 -0.216 0.000 1.000 436 V HN 0.393 nan 8.190 nan 0.000 0.456 437 L N 6.726 127.959 121.223 0.016 0.000 2.290 437 L HA 0.416 4.757 4.340 0.001 0.000 0.284 437 L C 0.153 177.021 176.870 -0.004 0.000 1.078 437 L CA 0.204 55.052 54.840 0.013 0.000 0.815 437 L CB 0.889 42.924 42.059 -0.040 0.000 1.162 437 L HN 0.546 nan 8.230 nan 0.000 0.435 438 L N 7.579 128.814 121.223 0.020 0.000 2.437 438 L HA 0.241 4.581 4.340 0.001 0.000 0.243 438 L C 0.089 176.748 176.870 -0.352 0.000 1.346 438 L CA 0.075 54.887 54.840 -0.047 0.000 1.233 438 L CB -0.883 41.240 42.059 0.107 0.000 1.436 438 L HN 0.756 nan 8.230 nan 0.000 0.416 439 M N -1.751 117.507 119.600 -0.571 0.000 2.683 439 M HA 0.864 5.345 4.480 0.001 0.000 0.274 439 M C -0.278 175.520 176.300 -0.837 0.000 1.272 439 M CA -0.697 54.068 55.300 -0.892 0.000 0.833 439 M CB 2.124 34.505 32.600 -0.364 0.000 1.708 439 M HN 0.023 nan 8.290 nan 0.000 0.463 440 G N -0.016 108.431 108.800 -0.588 0.000 3.420 440 G HA2 0.499 4.460 3.960 0.001 0.000 0.183 440 G HA3 0.499 4.460 3.960 0.001 0.000 0.183 440 G C 0.667 175.590 174.900 0.039 0.000 1.315 440 G CA 0.345 45.411 45.100 -0.057 0.000 0.958 440 G HN 0.893 nan 8.290 nan 0.000 0.745 441 K N -0.708 119.773 120.400 0.135 0.000 2.057 441 K HA 0.341 4.662 4.320 0.001 0.000 0.207 441 K C 1.060 177.704 176.600 0.074 0.000 1.049 441 K CA 2.204 58.541 56.287 0.084 0.000 0.931 441 K CB -1.351 nan 32.500 nan 0.000 0.714 441 K HN 1.161 nan 8.250 nan 0.000 0.440 442 D N -0.350 120.129 120.400 0.131 0.000 2.649 442 D HA 0.527 5.168 4.640 0.001 0.000 0.249 442 D C -0.485 175.875 176.300 0.100 0.000 1.112 442 D CA -0.276 53.784 54.000 0.099 0.000 0.850 442 D CB 1.770 nan 40.800 nan 0.000 1.399 442 D HN 0.231 nan 8.370 nan 0.000 0.503 443 V N 3.061 122.994 119.914 0.031 0.000 2.509 443 V HA 0.276 4.397 4.120 0.001 0.000 0.297 443 V C -1.594 174.539 176.094 0.064 0.000 1.014 443 V CA -0.727 61.577 62.300 0.007 0.000 1.127 443 V CB 0.223 32.040 31.823 -0.011 0.000 0.925 443 V HN 0.669 nan 8.190 nan 0.000 0.480 444 P HA 0.505 nan 4.420 nan 0.000 0.274 444 P C 0.374 177.720 177.300 0.076 0.000 1.256 444 P CA -0.253 62.930 63.100 0.138 0.000 0.795 444 P CB 0.784 32.612 31.700 0.214 0.000 1.038 445 K N -0.876 119.565 120.400 0.068 0.000 2.424 445 K HA 0.237 4.557 4.320 0.001 0.000 0.200 445 K C 1.191 177.830 176.600 0.066 0.000 1.279 445 K CA 0.946 57.265 56.287 0.053 0.000 0.918 445 K CB -0.592 31.930 32.500 0.038 0.000 1.287 445 K HN 0.683 nan 8.250 nan 0.000 0.502 446 S N -0.916 114.822 115.700 0.063 0.000 2.693 446 S HA 0.498 4.969 4.470 0.001 0.000 0.276 446 S C 0.930 175.597 174.600 0.112 0.000 1.192 446 S CA -0.114 58.133 58.200 0.079 0.000 0.994 446 S CB 0.724 63.950 63.200 0.043 0.000 1.012 446 S HN 0.484 nan 8.310 nan 0.000 0.550 447 F N 1.243 121.182 119.950 -0.019 0.000 2.134 447 F HA 0.023 4.551 4.527 0.001 0.000 0.299 447 F C 2.190 177.939 175.800 -0.086 0.000 1.097 447 F CA 2.020 59.990 58.000 -0.050 0.000 1.264 447 F CB -0.679 38.279 39.000 -0.071 0.000 1.001 447 F HN 0.764 nan 8.300 nan 0.000 0.479 448 E N 0.565 120.562 120.200 -0.338 0.000 2.106 448 E HA -0.169 4.182 4.350 0.001 0.000 0.192 448 E C 2.085 178.496 176.600 -0.314 0.000 0.984 448 E CA 1.720 57.843 56.400 -0.463 0.000 0.806 448 E CB -0.252 29.307 29.700 -0.234 0.000 0.750 448 E HN 0.614 nan 8.360 nan 0.000 0.458 449 E N -0.204 119.901 120.200 -0.158 0.000 2.031 449 E HA -0.158 4.192 4.350 0.001 0.000 0.193 449 E C 2.281 178.877 176.600 -0.006 0.000 0.994 449 E CA 0.996 57.343 56.400 -0.089 0.000 0.800 449 E CB -0.101 29.605 29.700 0.010 0.000 0.752 449 E HN 0.142 nan 8.360 nan 0.000 0.447 450 R N 0.908 121.431 120.500 0.039 0.000 2.091 450 R HA -0.157 4.184 4.340 0.001 0.000 0.238 450 R C 2.431 178.762 176.300 0.052 0.000 1.136 450 R CA 1.362 57.534 56.100 0.121 0.000 0.959 450 R CB -0.218 30.145 30.300 0.104 0.000 0.856 450 R HN 0.047 nan 8.270 nan 0.000 0.437 451 K N 1.348 121.627 120.400 -0.202 0.000 2.057 451 K HA -0.194 4.126 4.320 0.001 0.000 0.207 451 K C 1.664 178.251 176.600 -0.022 0.000 1.049 451 K CA 1.660 57.808 56.287 -0.231 0.000 0.931 451 K CB 0.071 32.104 32.500 -0.779 0.000 0.714 451 K HN 0.220 nan 8.250 nan 0.000 0.440 452 E N -0.504 119.624 120.200 -0.120 0.000 2.077 452 E HA -0.207 4.144 4.350 0.001 0.000 0.193 452 E C 1.982 178.543 176.600 -0.065 0.000 0.989 452 E CA 1.522 57.849 56.400 -0.121 0.000 0.800 452 E CB -0.207 29.358 29.700 -0.225 0.000 0.746 452 E HN 0.422 nan 8.360 nan 0.000 0.452 453 Y N -0.267 120.029 120.300 -0.007 0.000 2.181 453 Y HA -0.261 4.289 4.550 0.001 0.000 0.288 453 Y C 2.212 178.130 175.900 0.031 0.000 1.146 453 Y CA 1.104 59.214 58.100 0.016 0.000 1.164 453 Y CB -0.177 38.302 38.460 0.032 0.000 0.982 453 Y HN 0.097 nan 8.280 nan 0.000 0.515 454 F N 1.261 121.240 119.950 0.049 0.000 2.095 454 F HA -0.237 4.291 4.527 0.001 0.000 0.298 454 F C 2.165 177.893 175.800 -0.120 0.000 1.104 454 F CA 1.696 59.606 58.000 -0.150 0.000 1.232 454 F CB -0.254 38.603 39.000 -0.239 0.000 0.987 454 F HN -0.043 nan 8.300 nan 0.000 0.475 455 E N 0.668 120.802 120.200 -0.109 0.000 2.150 455 E HA -0.212 4.139 4.350 0.001 0.000 0.193 455 E C 2.157 178.658 176.600 -0.165 0.000 0.985 455 E CA 1.059 57.348 56.400 -0.184 0.000 0.814 455 E CB -0.400 29.308 29.700 0.013 0.000 0.752 455 E HN 0.530 nan 8.360 nan 0.000 0.466 456 K N 1.030 121.379 120.400 -0.086 0.000 1.984 456 K HA -0.086 4.235 4.320 0.001 0.000 0.209 456 K C 2.204 178.776 176.600 -0.046 0.000 1.046 456 K CA 1.258 57.519 56.287 -0.044 0.000 0.934 456 K CB -0.161 32.339 32.500 0.000 0.000 0.717 456 K HN 0.015 nan 8.250 nan 0.000 0.438 457 A N 1.786 124.591 122.820 -0.024 0.000 1.927 457 A HA -0.230 4.091 4.320 0.001 0.000 0.220 457 A C 2.203 179.756 177.584 -0.051 0.000 1.185 457 A CA 1.863 53.906 52.037 0.010 0.000 0.639 457 A CB -0.856 18.232 19.000 0.147 0.000 0.820 457 A HN 0.488 nan 8.150 nan 0.000 0.451 458 L N -1.088 119.998 121.223 -0.228 0.000 2.083 458 L HA -0.191 4.149 4.340 0.001 0.000 0.209 458 L C 2.528 179.353 176.870 -0.075 0.000 1.083 458 L CA 1.912 56.614 54.840 -0.231 0.000 0.752 458 L CB -0.234 41.518 42.059 -0.512 0.000 0.899 458 L HN 0.366 nan 8.230 nan 0.000 0.433 459 K N -0.229 120.132 120.400 -0.066 0.000 2.057 459 K HA -0.144 4.176 4.320 0.001 0.000 0.206 459 K C 1.980 178.602 176.600 0.036 0.000 1.050 459 K CA 1.559 57.842 56.287 -0.007 0.000 0.935 459 K CB -0.166 32.327 32.500 -0.012 0.000 0.715 459 K HN 0.288 nan 8.250 nan 0.000 0.439 460 I N 1.136 121.720 120.570 0.024 0.000 2.179 460 I HA -0.313 3.858 4.170 0.001 0.000 0.242 460 I C 2.154 178.314 176.117 0.072 0.000 1.088 460 I CA 1.337 62.659 61.300 0.036 0.000 1.357 460 I CB -0.317 37.660 38.000 -0.038 0.000 1.051 460 I HN 0.125 nan 8.210 nan 0.000 0.409 461 L N 0.452 121.706 121.223 0.051 0.000 2.083 461 L HA -0.224 4.116 4.340 0.001 0.000 0.209 461 L C 2.752 179.730 176.870 0.181 0.000 1.083 461 L CA 1.352 56.267 54.840 0.125 0.000 0.752 461 L CB -0.773 41.367 42.059 0.136 0.000 0.899 461 L HN 0.386 nan 8.230 nan 0.000 0.433 462 E N 1.964 122.242 120.200 0.131 0.000 2.077 462 E HA -0.271 4.080 4.350 0.001 0.000 0.193 462 E C 2.169 178.841 176.600 0.120 0.000 0.989 462 E CA 1.774 58.244 56.400 0.117 0.000 0.800 462 E CB -0.035 29.712 29.700 0.078 0.000 0.746 462 E HN 0.631 nan 8.360 nan 0.000 0.452 463 R N -0.821 119.764 120.500 0.142 0.000 2.236 463 R HA -0.025 4.315 4.340 0.001 0.000 0.208 463 R C 1.031 177.366 176.300 0.058 0.000 1.036 463 R CA 1.265 57.426 56.100 0.101 0.000 1.001 463 R CB -0.513 29.837 30.300 0.083 0.000 0.896 463 R HN 0.167 nan 8.270 nan 0.000 0.464 464 H N 0.700 119.794 119.070 0.040 0.000 2.519 464 H HA 0.131 4.687 4.556 0.001 0.000 0.289 464 H C -0.553 174.838 175.328 0.105 0.000 1.040 464 H CA -0.195 55.877 56.048 0.041 0.000 1.165 464 H CB -0.011 29.745 29.762 -0.010 0.000 1.462 464 H HN 0.257 nan 8.280 nan 0.000 0.555 465 D N -0.320 120.193 120.400 0.188 0.000 2.720 465 D HA -0.284 4.357 4.640 0.001 0.000 0.229 465 D C -0.039 176.404 176.300 0.238 0.000 1.198 465 D CA 0.448 54.546 54.000 0.162 0.000 0.639 465 D CB -1.453 39.403 40.800 0.093 0.000 1.003 465 D HN 0.526 nan 8.370 nan 0.000 0.411 466 F N -0.636 119.357 119.950 0.072 0.000 2.746 466 F HA 0.230 4.758 4.527 0.001 0.000 0.320 466 F C 1.947 177.790 175.800 0.071 0.000 1.097 466 F CA -0.080 57.951 58.000 0.053 0.000 1.195 466 F CB 0.401 39.422 39.000 0.035 0.000 1.056 466 F HN 0.019 nan 8.300 nan 0.000 0.562 467 S N 0.595 116.394 115.700 0.166 0.000 2.440 467 S HA -0.201 4.269 4.470 0.001 0.000 0.240 467 S C 1.360 176.085 174.600 0.207 0.000 1.014 467 S CA 1.768 60.093 58.200 0.208 0.000 0.980 467 S CB -0.348 62.994 63.200 0.237 0.000 0.775 467 S HN 0.637 nan 8.310 nan 0.000 0.499 468 D N -0.212 120.212 120.400 0.040 0.000 2.340 468 D HA 0.039 4.679 4.640 0.001 0.000 0.217 468 D C 0.778 177.070 176.300 -0.013 0.000 1.081 468 D CA -0.033 53.987 54.000 0.034 0.000 0.842 468 D CB -0.155 40.639 40.800 -0.009 0.000 0.934 468 D HN 0.196 nan 8.370 nan 0.000 0.511 469 R N 0.396 120.764 120.500 -0.220 0.000 2.700 469 R HA 0.294 4.635 4.340 0.001 0.000 0.399 469 R C -0.483 175.787 176.300 -0.051 0.000 1.115 469 R CA -0.292 55.596 56.100 -0.353 0.000 1.058 469 R CB 1.437 31.098 30.300 -1.066 0.000 1.389 469 R HN 0.141 nan 8.270 nan 0.000 0.582 470 V N -2.442 117.566 119.914 0.156 0.000 2.789 470 V HA 0.661 4.782 4.120 0.001 0.000 0.311 470 V C -0.352 175.604 176.094 -0.231 0.000 1.073 470 V CA -1.051 61.223 62.300 -0.043 0.000 0.921 470 V CB 2.418 34.077 31.823 -0.273 0.000 1.009 470 V HN 0.026 nan 8.190 nan 0.000 0.426 471 I N 3.271 123.647 120.570 -0.324 0.000 2.530 471 I HA 0.564 4.734 4.170 0.001 0.000 0.297 471 I C -1.051 174.865 176.117 -0.335 0.000 1.011 471 I CA -0.425 60.666 61.300 -0.349 0.000 1.107 471 I CB 2.174 39.988 38.000 -0.311 0.000 1.285 471 I HN 0.555 nan 8.210 nan 0.000 0.436 472 F N 3.084 123.027 119.950 -0.010 0.000 2.420 472 F HA 0.287 4.814 4.527 0.001 0.000 0.342 472 F C 0.269 176.087 175.800 0.030 0.000 1.113 472 F CA -0.496 57.521 58.000 0.028 0.000 1.059 472 F CB 1.037 40.082 39.000 0.075 0.000 1.128 472 F HN 0.312 nan 8.300 nan 0.000 0.475 473 D N 5.586 126.110 120.400 0.206 0.000 2.427 473 D HA 0.259 4.899 4.640 0.001 0.000 0.226 473 D C -1.844 174.544 176.300 0.147 0.000 1.076 473 D CA -2.547 51.535 54.000 0.136 0.000 0.849 473 D CB 1.801 42.635 40.800 0.058 0.000 1.052 473 D HN 0.132 nan 8.370 nan 0.000 0.515 474 P HA 0.070 nan 4.420 nan 0.000 0.225 474 P C 0.441 177.796 177.300 0.092 0.000 1.148 474 P CA 0.622 63.802 63.100 0.134 0.000 0.779 474 P CB 0.202 31.994 31.700 0.152 0.000 0.780 475 G N -0.391 108.449 108.800 0.067 0.000 2.894 475 G HA2 -0.110 3.851 3.960 0.001 0.000 0.263 475 G HA3 -0.110 3.851 3.960 0.001 0.000 0.263 475 G C -0.493 174.410 174.900 0.005 0.000 1.013 475 G CA -0.710 44.401 45.100 0.019 0.000 1.226 475 G HN 0.154 nan 8.290 nan 0.000 0.563 476 V N 3.370 123.268 119.914 -0.026 0.000 2.470 476 V HA 0.411 4.531 4.120 0.001 0.000 0.276 476 V C 1.189 177.223 176.094 -0.100 0.000 1.040 476 V CA 0.035 62.271 62.300 -0.107 0.000 1.008 476 V CB 0.997 32.690 31.823 -0.217 0.000 0.990 476 V HN 0.572 nan 8.190 nan 0.000 0.477 477 L N 7.613 128.780 121.223 -0.094 0.000 2.360 477 L HA 0.493 4.833 4.340 0.001 0.000 0.271 477 L C -2.237 174.578 176.870 -0.092 0.000 1.057 477 L CA -1.984 52.813 54.840 -0.072 0.000 0.803 477 L CB 1.562 43.596 42.059 -0.041 0.000 1.207 477 L HN 0.408 nan 8.230 nan 0.000 0.445 478 P HA 0.055 nan 4.420 nan 0.000 0.268 478 P C 0.593 177.837 177.300 -0.093 0.000 1.205 478 P CA -0.067 62.991 63.100 -0.071 0.000 0.771 478 P CB 0.715 32.394 31.700 -0.035 0.000 0.858 479 L N 2.428 123.567 121.223 -0.139 0.000 2.017 479 L HA -0.096 4.245 4.340 0.001 0.000 0.208 479 L C 2.273 179.070 176.870 -0.121 0.000 1.073 479 L CA 1.905 56.656 54.840 -0.149 0.000 0.745 479 L CB -0.982 40.921 42.059 -0.260 0.000 0.894 479 L HN 0.577 nan 8.230 nan 0.000 0.432 480 G N -1.074 107.647 108.800 -0.131 0.000 2.916 480 G HA2 0.109 4.069 3.960 0.001 0.000 0.205 480 G HA3 0.109 4.069 3.960 0.001 0.000 0.205 480 G C 0.602 175.470 174.900 -0.054 0.000 1.163 480 G CA 0.578 45.624 45.100 -0.090 0.000 0.821 480 G HN 0.428 nan 8.290 nan 0.000 0.515 481 A N 0.138 122.929 122.820 -0.049 0.000 2.843 481 A HA 0.521 4.842 4.320 0.001 0.000 0.248 481 A C 0.643 178.212 177.584 -0.026 0.000 0.904 481 A CA -0.185 51.833 52.037 -0.032 0.000 1.091 481 A CB 0.223 19.205 19.000 -0.029 0.000 1.208 481 A HN 0.121 nan 8.150 nan 0.000 0.476 482 E N -1.080 119.105 120.200 -0.024 0.000 2.476 482 E HA -0.229 4.122 4.350 0.001 0.000 0.251 482 E C 1.102 177.695 176.600 -0.011 0.000 1.130 482 E CA 0.920 57.312 56.400 -0.013 0.000 0.736 482 E CB -1.905 27.791 29.700 -0.006 0.000 1.298 482 E HN 0.917 nan 8.360 nan 0.000 0.400 483 G N 0.701 109.487 108.800 -0.023 0.000 2.509 483 G HA2 -0.217 3.743 3.960 0.001 0.000 0.218 483 G HA3 -0.217 3.743 3.960 0.001 0.000 0.218 483 G C 0.644 175.543 174.900 -0.002 0.000 1.124 483 G CA 0.491 45.576 45.100 -0.025 0.000 0.776 483 G HN 0.337 nan 8.290 nan 0.000 0.547 484 K N 0.010 120.418 120.400 0.013 0.000 3.777 484 K HA -0.176 4.145 4.320 0.001 0.000 0.276 484 K C -1.415 175.225 176.600 0.067 0.000 0.877 484 K CA 0.331 56.641 56.287 0.039 0.000 0.724 484 K CB -0.439 32.086 32.500 0.043 0.000 1.589 484 K HN 0.353 nan 8.250 nan 0.000 0.444 485 P HA -0.205 nan 4.420 nan 0.000 0.218 485 P C 1.289 178.732 177.300 0.239 0.000 1.146 485 P CA 0.964 64.168 63.100 0.174 0.000 0.820 485 P CB 0.114 31.943 31.700 0.215 0.000 0.778 486 V N 0.895 120.894 119.914 0.142 0.000 2.392 486 V HA -0.203 3.918 4.120 0.001 0.000 0.249 486 V C 2.609 178.744 176.094 0.069 0.000 1.059 486 V CA 1.821 64.173 62.300 0.087 0.000 1.051 486 V CB -1.037 30.812 31.823 0.043 0.000 0.658 486 V HN 0.116 nan 8.190 nan 0.000 0.455 487 E N -0.009 120.247 120.200 0.093 0.000 2.106 487 E HA -0.128 4.222 4.350 0.001 0.000 0.192 487 E C 2.292 178.982 176.600 0.150 0.000 0.984 487 E CA 1.078 57.547 56.400 0.115 0.000 0.806 487 E CB -0.431 29.345 29.700 0.126 0.000 0.750 487 E HN 0.509 nan 8.360 nan 0.000 0.458 488 V N 1.532 121.549 119.914 0.172 0.000 2.358 488 V HA -0.208 3.912 4.120 0.001 0.000 0.246 488 V C 2.518 178.730 176.094 0.197 0.000 1.047 488 V CA 1.192 63.623 62.300 0.219 0.000 1.035 488 V CB -0.552 31.439 31.823 0.281 0.000 0.658 488 V HN 0.175 nan 8.190 nan 0.000 0.452 489 L N -0.289 121.025 121.223 0.152 0.000 2.046 489 L HA -0.205 4.135 4.340 0.001 0.000 0.208 489 L C 2.603 179.442 176.870 -0.051 0.000 1.077 489 L CA 1.758 56.600 54.840 0.003 0.000 0.747 489 L CB -0.710 41.309 42.059 -0.067 0.000 0.896 489 L HN 0.299 nan 8.230 nan 0.000 0.432 490 K N -0.526 119.806 120.400 -0.114 0.000 2.097 490 K HA -0.131 4.190 4.320 0.001 0.000 0.206 490 K C 2.070 178.541 176.600 -0.214 0.000 1.049 490 K CA 1.802 57.880 56.287 -0.348 0.000 0.933 490 K CB -0.420 31.637 32.500 -0.738 0.000 0.717 490 K HN 0.293 nan 8.250 nan 0.000 0.442 491 T N 1.892 116.503 114.554 0.095 0.000 2.777 491 T HA -0.081 4.269 4.350 0.001 0.000 0.266 491 T C 1.966 176.768 174.700 0.171 0.000 1.040 491 T CA 1.052 63.336 62.100 0.306 0.000 1.141 491 T CB -0.216 68.821 68.868 0.281 0.000 0.868 491 T HN 0.126 nan 8.240 nan 0.000 0.444 492 I N 1.029 121.660 120.570 0.102 0.000 2.163 492 I HA -0.224 3.947 4.170 0.001 0.000 0.243 492 I C 2.772 178.911 176.117 0.036 0.000 1.085 492 I CA 1.576 62.916 61.300 0.066 0.000 1.347 492 I CB -0.375 37.657 38.000 0.053 0.000 1.044 492 I HN 0.338 nan 8.210 nan 0.000 0.408 493 E N 0.694 120.905 120.200 0.018 0.000 2.085 493 E HA -0.287 4.064 4.350 0.001 0.000 0.194 493 E C 2.189 178.818 176.600 0.047 0.000 0.994 493 E CA 1.534 57.938 56.400 0.006 0.000 0.801 493 E CB -0.136 29.542 29.700 -0.036 0.000 0.743 493 E HN 0.408 nan 8.360 nan 0.000 0.453 494 F N 1.128 121.045 119.950 -0.055 0.000 2.113 494 F HA -0.122 4.406 4.527 0.001 0.000 0.297 494 F C 1.951 177.661 175.800 -0.150 0.000 1.103 494 F CA 1.452 59.432 58.000 -0.034 0.000 1.248 494 F CB -0.247 38.835 39.000 0.137 0.000 0.999 494 F HN -0.002 nan 8.300 nan 0.000 0.475 495 I N -0.373 120.037 120.570 -0.266 0.000 2.163 495 I HA -0.356 3.815 4.170 0.001 0.000 0.243 495 I C 2.427 178.460 176.117 -0.140 0.000 1.085 495 I CA 1.605 62.650 61.300 -0.426 0.000 1.347 495 I CB -0.845 36.971 38.000 -0.307 0.000 1.044 495 I HN 0.068 nan 8.210 nan 0.000 0.408 496 S N 0.635 116.299 115.700 -0.059 0.000 2.370 496 S HA -0.204 4.266 4.470 0.001 0.000 0.226 496 S C 2.143 176.711 174.600 -0.054 0.000 1.033 496 S CA 1.707 59.897 58.200 -0.017 0.000 1.011 496 S CB -0.560 62.639 63.200 -0.001 0.000 0.852 496 S HN 0.656 nan 8.310 nan 0.000 0.457 497 S N 1.320 116.959 115.700 -0.102 0.000 2.442 497 S HA -0.015 4.455 4.470 0.001 0.000 0.236 497 S C 1.425 175.946 174.600 -0.132 0.000 1.007 497 S CA 0.738 58.873 58.200 -0.109 0.000 0.965 497 S CB -0.212 62.923 63.200 -0.107 0.000 0.773 497 S HN 0.211 nan 8.310 nan 0.000 0.504 498 K N 0.695 121.002 120.400 -0.155 0.000 2.404 498 K HA 0.286 4.607 4.320 0.001 0.000 0.194 498 K C 1.418 178.001 176.600 -0.028 0.000 1.023 498 K CA 0.598 56.863 56.287 -0.036 0.000 1.094 498 K CB -0.259 32.269 32.500 0.048 0.000 0.841 498 K HN 0.605 nan 8.250 nan 0.000 0.523 499 G N 1.154 109.900 108.800 -0.091 0.000 2.157 499 G HA2 -0.245 3.716 3.960 0.001 0.000 0.239 499 G HA3 -0.245 3.716 3.960 0.001 0.000 0.239 499 G C -0.143 174.542 174.900 -0.358 0.000 0.982 499 G CA -0.333 44.627 45.100 -0.234 0.000 0.650 499 G HN 0.199 nan 8.290 nan 0.000 0.527 500 F N 1.074 121.038 119.950 0.025 0.000 2.422 500 F HA 0.527 5.054 4.527 0.001 0.000 0.333 500 F C 0.895 176.688 175.800 -0.012 0.000 1.095 500 F CA -0.976 57.059 58.000 0.059 0.000 1.038 500 F CB 0.947 40.131 39.000 0.306 0.000 1.156 500 F HN 0.010 nan 8.300 nan 0.000 0.483 501 N N 0.221 118.937 118.700 0.027 0.000 2.453 501 N HA 0.367 5.107 4.740 0.001 0.000 0.253 501 N C -0.573 174.962 175.510 0.042 0.000 1.252 501 N CA 0.145 53.144 53.050 -0.085 0.000 0.917 501 N CB 0.652 38.857 38.487 -0.469 0.000 1.117 501 N HN 0.668 nan 8.380 nan 0.000 0.442 502 T N -2.397 112.193 114.554 0.060 0.000 2.901 502 T HA 0.680 5.031 4.350 0.001 0.000 0.293 502 T C -0.376 174.379 174.700 0.090 0.000 1.084 502 T CA -0.873 61.294 62.100 0.111 0.000 1.008 502 T CB 2.065 71.014 68.868 0.135 0.000 1.170 502 T HN 0.354 nan 8.240 nan 0.000 0.509 503 T N -0.050 114.565 114.554 0.102 0.000 2.816 503 T HA 0.736 5.086 4.350 0.001 0.000 0.299 503 T C -1.569 173.206 174.700 0.124 0.000 1.230 503 T CA -0.327 61.832 62.100 0.098 0.000 1.007 503 T CB 1.517 70.419 68.868 0.057 0.000 1.289 503 T HN 1.415 nan 8.240 nan 0.000 0.508 504 V N -0.629 119.364 119.914 0.132 0.000 3.114 504 V HA 0.944 5.064 4.120 0.001 0.000 0.308 504 V C 0.222 176.364 176.094 0.080 0.000 1.168 504 V CA -0.774 61.602 62.300 0.127 0.000 1.015 504 V CB 1.694 33.650 31.823 0.221 0.000 1.050 504 V HN 1.126 nan 8.190 nan 0.000 0.433 505 G N 1.344 110.165 108.800 0.034 0.000 2.770 505 G HA2 0.409 4.370 3.960 0.001 0.000 0.307 505 G HA3 0.409 4.370 3.960 0.001 0.000 0.307 505 G C 0.348 175.257 174.900 0.015 0.000 0.863 505 G CA -0.117 44.989 45.100 0.009 0.000 1.595 505 G HN 0.988 nan 8.290 nan 0.000 0.496 506 L N 2.832 124.093 121.223 0.063 0.000 1.989 506 L HA -0.111 4.229 4.340 0.001 0.000 0.211 506 L C 2.664 179.567 176.870 0.055 0.000 1.071 506 L CA 2.278 57.166 54.840 0.079 0.000 0.749 506 L CB -0.330 41.823 42.059 0.156 0.000 0.890 506 L HN 0.386 nan 8.230 nan 0.000 0.431 507 S N -0.393 115.365 115.700 0.097 0.000 2.547 507 S HA -0.129 4.341 4.470 0.001 0.000 0.235 507 S C 1.652 176.406 174.600 0.256 0.000 0.980 507 S CA 0.948 59.273 58.200 0.208 0.000 0.941 507 S CB -0.739 62.617 63.200 0.261 0.000 0.763 507 S HN 0.547 nan 8.310 nan 0.000 0.532 508 N N 1.835 120.582 118.700 0.078 0.000 2.331 508 N HA 0.033 4.773 4.740 0.001 0.000 0.180 508 N C 1.589 177.116 175.510 0.029 0.000 1.019 508 N CA 0.369 53.446 53.050 0.044 0.000 0.881 508 N CB -0.372 38.091 38.487 -0.039 0.000 0.972 508 N HN 0.271 nan 8.380 nan 0.000 0.435 509 L N 0.259 121.447 121.223 -0.057 0.000 2.042 509 L HA -0.104 4.236 4.340 0.001 0.000 0.210 509 L C 0.908 177.709 176.870 -0.116 0.000 1.076 509 L CA 2.047 56.796 54.840 -0.153 0.000 0.749 509 L CB -0.928 40.961 42.059 -0.282 0.000 0.893 509 L HN 0.350 nan 8.230 nan 0.000 0.432 510 S N -2.143 113.518 115.700 -0.066 0.000 2.561 510 S HA 0.260 4.731 4.470 0.001 0.000 0.245 510 S C 0.017 174.374 174.600 -0.405 0.000 1.001 510 S CA -0.825 57.230 58.200 -0.241 0.000 1.002 510 S CB -0.359 62.724 63.200 -0.195 0.000 0.805 510 S HN 0.189 nan 8.310 nan 0.000 0.458 514 P HA 0.260 nan 4.420 nan 0.000 0.279 514 P C -0.873 176.497 177.300 0.118 0.000 1.276 514 P CA 0.021 63.133 63.100 0.020 0.000 0.801 514 P CB 0.656 32.382 31.700 0.042 0.000 1.127 515 D N -0.433 120.048 120.400 0.135 0.000 2.708 515 D HA -0.184 4.457 4.640 0.001 0.000 0.236 515 D C 1.438 177.883 176.300 0.240 0.000 1.146 515 D CA 0.820 54.983 54.000 0.271 0.000 0.662 515 D CB -0.720 40.273 40.800 0.322 0.000 1.059 515 D HN 0.609 nan 8.370 nan 0.000 0.428 516 R N -0.224 120.298 120.500 0.037 0.000 2.096 516 R HA -0.116 4.224 4.340 0.001 0.000 0.235 516 R C 2.054 178.326 176.300 -0.046 0.000 1.127 516 R CA 1.675 57.740 56.100 -0.058 0.000 0.968 516 R CB -0.521 29.523 30.300 -0.425 0.000 0.861 516 R HN 0.104 nan 8.270 nan 0.000 0.440 517 S N 0.248 115.834 115.700 -0.190 0.000 2.400 517 S HA -0.162 4.308 4.470 0.001 0.000 0.232 517 S C 1.609 175.999 174.600 -0.349 0.000 1.025 517 S CA 1.038 59.043 58.200 -0.325 0.000 0.993 517 S CB -0.297 62.579 63.200 -0.540 0.000 0.808 517 S HN 0.607 nan 8.310 nan 0.000 0.478 518 Y N -0.722 119.553 120.300 -0.042 0.000 2.314 518 Y HA 0.084 4.635 4.550 0.001 0.000 0.294 518 Y C 2.102 177.907 175.900 -0.158 0.000 1.119 518 Y CA 1.005 59.029 58.100 -0.128 0.000 1.179 518 Y CB -0.568 37.765 38.460 -0.212 0.000 1.025 518 Y HN 0.279 nan 8.280 nan 0.000 0.541 519 Y N 0.487 120.848 120.300 0.100 0.000 2.163 519 Y HA -0.245 4.306 4.550 0.001 0.000 0.288 519 Y C 2.154 178.103 175.900 0.082 0.000 1.136 519 Y CA 1.247 59.389 58.100 0.069 0.000 1.147 519 Y CB -0.491 37.976 38.460 0.012 0.000 0.987 519 Y HN 0.115 nan 8.280 nan 0.000 0.509 520 N N -0.524 118.289 118.700 0.188 0.000 2.069 520 N HA -0.160 4.580 4.740 0.001 0.000 0.191 520 N C 1.805 177.404 175.510 0.147 0.000 1.031 520 N CA 2.073 55.212 53.050 0.149 0.000 0.852 520 N CB -1.038 37.497 38.487 0.080 0.000 1.018 520 N HN 0.282 nan 8.380 nan 0.000 0.423 521 T N 1.082 115.679 114.554 0.070 0.000 2.652 521 T HA -0.087 4.264 4.350 0.001 0.000 0.267 521 T C 1.988 176.720 174.700 0.054 0.000 1.039 521 T CA 1.621 63.744 62.100 0.039 0.000 1.153 521 T CB -0.508 68.363 68.868 0.005 0.000 0.863 521 T HN 0.373 nan 8.240 nan 0.000 0.428 522 A N 0.919 123.785 122.820 0.075 0.000 1.877 522 A HA -0.053 4.268 4.320 0.001 0.000 0.216 522 A C 2.053 179.684 177.584 0.078 0.000 1.186 522 A CA 1.503 53.575 52.037 0.059 0.000 0.620 522 A CB -1.031 18.002 19.000 0.055 0.000 0.822 522 A HN 0.479 nan 8.150 nan 0.000 0.443 523 F N -0.033 119.942 119.950 0.042 0.000 2.102 523 F HA -0.132 4.396 4.527 0.001 0.000 0.298 523 F C 1.896 177.710 175.800 0.023 0.000 1.105 523 F CA 1.710 59.737 58.000 0.045 0.000 1.239 523 F CB -0.268 38.775 39.000 0.071 0.000 0.991 523 F HN 0.210 nan 8.300 nan 0.000 0.474 524 L N -0.031 121.259 121.223 0.111 0.000 2.012 524 L HA -0.186 4.155 4.340 0.001 0.000 0.210 524 L C 2.264 179.040 176.870 -0.156 0.000 1.073 524 L CA 1.744 56.582 54.840 -0.003 0.000 0.748 524 L CB -0.987 41.090 42.059 0.030 0.000 0.891 524 L HN 0.071 nan 8.230 nan 0.000 0.431 525 V N -0.331 119.506 119.914 -0.129 0.000 2.287 525 V HA -0.337 3.784 4.120 0.001 0.000 0.248 525 V C 2.555 178.545 176.094 -0.174 0.000 1.053 525 V CA 2.221 64.434 62.300 -0.145 0.000 1.027 525 V CB -0.670 31.096 31.823 -0.095 0.000 0.646 525 V HN 0.451 nan 8.190 nan 0.000 0.447 526 L N 0.373 121.472 121.223 -0.207 0.000 2.046 526 L HA -0.077 4.263 4.340 0.001 0.000 0.208 526 L C 2.689 179.376 176.870 -0.304 0.000 1.077 526 L CA 1.791 56.489 54.840 -0.238 0.000 0.747 526 L CB -1.218 40.690 42.059 -0.251 0.000 0.896 526 L HN 0.468 nan 8.230 nan 0.000 0.432 527 G N 0.282 108.804 108.800 -0.463 0.000 2.418 527 G HA2 -0.222 3.738 3.960 0.001 0.000 0.217 527 G HA3 -0.222 3.738 3.960 0.001 0.000 0.217 527 G C 1.606 176.412 174.900 -0.156 0.000 1.158 527 G CA 0.709 45.595 45.100 -0.357 0.000 0.771 527 G HN 0.276 nan 8.290 nan 0.000 0.545 528 I N 1.846 122.325 120.570 -0.151 0.000 2.208 528 I HA -0.239 3.932 4.170 0.001 0.000 0.245 528 I C 3.144 179.212 176.117 -0.082 0.000 1.097 528 I CA 1.603 62.838 61.300 -0.109 0.000 1.363 528 I CB -0.238 37.627 38.000 -0.225 0.000 1.051 528 I HN 0.365 nan 8.210 nan 0.000 0.413 529 S N 0.486 116.123 115.700 -0.106 0.000 2.442 529 S HA -0.121 4.350 4.470 0.001 0.000 0.236 529 S C 1.723 176.284 174.600 -0.066 0.000 1.007 529 S CA 0.800 58.952 58.200 -0.081 0.000 0.965 529 S CB -0.137 63.010 63.200 -0.089 0.000 0.773 529 S HN 0.300 nan 8.310 nan 0.000 0.504 530 K N 0.635 120.991 120.400 -0.075 0.000 2.374 530 K HA 0.332 4.653 4.320 0.001 0.000 0.196 530 K C 1.310 177.896 176.600 -0.024 0.000 1.023 530 K CA 0.608 56.861 56.287 -0.057 0.000 1.103 530 K CB 0.114 32.568 32.500 -0.077 0.000 0.848 530 K HN 0.590 nan 8.250 nan 0.000 0.528 531 G N 1.376 110.172 108.800 -0.007 0.000 2.175 531 G HA2 -0.208 3.753 3.960 0.001 0.000 0.182 531 G HA3 -0.208 3.753 3.960 0.001 0.000 0.182 531 G C -0.228 174.713 174.900 0.068 0.000 1.003 531 G CA -0.243 44.873 45.100 0.026 0.000 0.666 531 G HN 0.214 nan 8.290 nan 0.000 0.506 532 L N 1.999 123.271 121.223 0.082 0.000 2.601 532 L HA 0.513 4.853 4.340 0.001 0.000 0.277 532 L C 1.392 178.411 176.870 0.249 0.000 1.219 532 L CA 1.601 56.535 54.840 0.157 0.000 0.915 532 L CB 0.782 42.944 42.059 0.172 0.000 1.160 532 L HN 0.116 nan 8.230 nan 0.000 0.494 533 S N 1.564 117.370 115.700 0.177 0.000 2.486 533 S HA 0.169 4.640 4.470 0.001 0.000 0.220 533 S C 0.344 174.854 174.600 -0.150 0.000 1.011 533 S CA 0.369 58.636 58.200 0.112 0.000 0.921 533 S CB -0.178 63.091 63.200 0.115 0.000 0.785 533 S HN 0.882 nan 8.310 nan 0.000 0.517 534 S N -0.186 115.376 115.700 -0.230 0.000 2.636 534 S HA 0.825 5.295 4.470 0.001 0.000 0.268 534 S C -1.560 172.901 174.600 -0.232 0.000 1.159 534 S CA -0.555 57.219 58.200 -0.710 0.000 0.815 534 S CB 1.418 64.487 63.200 -0.219 0.000 1.130 534 S HN 0.550 nan 8.310 nan 0.000 0.471 535 A N 0.494 123.202 122.820 -0.186 0.000 2.566 535 A HA 0.720 5.040 4.320 0.001 0.000 0.297 535 A C -1.217 176.400 177.584 0.056 0.000 1.059 535 A CA -0.784 51.320 52.037 0.112 0.000 0.691 535 A CB 0.855 20.075 19.000 0.367 0.000 1.282 535 A HN 0.890 nan 8.150 nan 0.000 0.401 536 I N 3.197 123.801 120.570 0.058 0.000 2.363 536 I HA 0.446 4.616 4.170 0.001 0.000 0.292 536 I C 0.397 176.549 176.117 0.059 0.000 1.075 536 I CA 0.485 61.804 61.300 0.033 0.000 1.333 536 I CB 0.193 38.194 38.000 0.001 0.000 1.415 536 I HN 0.811 nan 8.210 nan 0.000 0.502 537 M N 4.181 123.817 119.600 0.061 0.000 2.773 537 M HA 0.487 4.968 4.480 0.001 0.000 0.270 537 M C -1.393 174.943 176.300 0.061 0.000 1.238 537 M CA -0.972 54.377 55.300 0.082 0.000 0.832 537 M CB 1.881 34.559 32.600 0.131 0.000 1.672 537 M HN 0.189 nan 8.290 nan 0.000 0.480 538 N N 2.582 121.319 118.700 0.063 0.000 2.437 538 N HA 0.380 5.120 4.740 0.001 0.000 0.243 538 N C -2.119 173.418 175.510 0.044 0.000 1.041 538 N CA -1.892 51.187 53.050 0.048 0.000 0.940 538 N CB 0.884 39.402 38.487 0.051 0.000 1.133 538 N HN 0.463 nan 8.380 nan 0.000 0.506 539 P HA -0.009 nan 4.420 nan 0.000 0.242 539 P C 0.801 178.118 177.300 0.028 0.000 1.197 539 P CA 0.288 63.411 63.100 0.039 0.000 0.765 539 P CB 0.512 32.235 31.700 0.038 0.000 0.936 540 L N -0.380 120.858 121.223 0.024 0.000 2.567 540 L HA 0.158 4.499 4.340 0.001 0.000 0.225 540 L C 0.905 177.782 176.870 0.011 0.000 1.119 540 L CA 0.660 55.511 54.840 0.018 0.000 0.871 540 L CB -1.100 40.971 42.059 0.020 0.000 1.036 540 L HN -0.097 nan 8.230 nan 0.000 0.459 541 D N 0.426 120.831 120.400 0.008 0.000 2.383 541 D HA -0.057 4.583 4.640 0.001 0.000 0.245 541 D C 1.263 177.553 176.300 -0.016 0.000 1.263 541 D CA 0.226 54.218 54.000 -0.013 0.000 0.936 541 D CB 0.768 41.557 40.800 -0.018 0.000 1.053 541 D HN 0.286 nan 8.370 nan 0.000 0.507 542 E N 1.737 121.927 120.200 -0.017 0.000 2.077 542 E HA -0.174 4.176 4.350 0.001 0.000 0.193 542 E C 1.184 177.774 176.600 -0.018 0.000 0.989 542 E CA 1.200 57.594 56.400 -0.010 0.000 0.800 542 E CB 0.413 30.110 29.700 -0.004 0.000 0.746 542 E HN 0.440 nan 8.360 nan 0.000 0.452 543 T N 1.413 115.944 114.554 -0.039 0.000 2.652 543 T HA -0.202 4.148 4.350 0.001 0.000 0.267 543 T C 1.779 176.454 174.700 -0.042 0.000 1.039 543 T CA 1.298 63.372 62.100 -0.044 0.000 1.153 543 T CB -0.346 68.457 68.868 -0.109 0.000 0.863 543 T HN 0.116 nan 8.240 nan 0.000 0.428 544 L N 0.626 121.816 121.223 -0.055 0.000 2.042 544 L HA -0.050 4.290 4.340 0.001 0.000 0.210 544 L C 2.228 179.089 176.870 -0.016 0.000 1.076 544 L CA 1.786 56.607 54.840 -0.031 0.000 0.749 544 L CB -0.551 41.499 42.059 -0.016 0.000 0.893 544 L HN 0.184 nan 8.230 nan 0.000 0.432 545 M N -1.036 118.561 119.600 -0.005 0.000 2.200 545 M HA -0.135 4.345 4.480 0.001 0.000 0.265 545 M C 2.225 178.523 176.300 -0.003 0.000 1.066 545 M CA 1.451 56.755 55.300 0.007 0.000 1.127 545 M CB -0.859 31.753 32.600 0.019 0.000 1.379 545 M HN 0.238 nan 8.290 nan 0.000 0.420 546 K N -0.533 119.863 120.400 -0.006 0.000 2.097 546 K HA -0.060 4.261 4.320 0.001 0.000 0.205 546 K C 1.928 178.519 176.600 -0.016 0.000 1.050 546 K CA 1.522 57.805 56.287 -0.007 0.000 0.938 546 K CB -0.136 32.363 32.500 -0.002 0.000 0.718 546 K HN 0.292 nan 8.250 nan 0.000 0.442 547 T N 1.793 116.335 114.554 -0.021 0.000 2.904 547 T HA -0.077 4.273 4.350 0.001 0.000 0.267 547 T C 1.672 176.338 174.700 -0.057 0.000 1.059 547 T CA 0.593 62.675 62.100 -0.030 0.000 1.137 547 T CB -0.087 68.767 68.868 -0.022 0.000 0.879 547 T HN 0.083 nan 8.240 nan 0.000 0.467 548 L N 2.317 123.500 121.223 -0.067 0.000 2.017 548 L HA -0.035 4.306 4.340 0.001 0.000 0.208 548 L C 2.110 178.926 176.870 -0.090 0.000 1.073 548 L CA 1.724 56.494 54.840 -0.117 0.000 0.745 548 L CB -0.884 41.109 42.059 -0.108 0.000 0.894 548 L HN 0.102 nan 8.230 nan 0.000 0.432 549 N N 0.032 118.707 118.700 -0.043 0.000 2.104 549 N HA -0.185 4.556 4.740 0.001 0.000 0.190 549 N C 1.777 177.268 175.510 -0.031 0.000 1.024 549 N CA 1.552 54.588 53.050 -0.024 0.000 0.853 549 N CB -0.120 38.364 38.487 -0.006 0.000 1.008 549 N HN 0.557 nan 8.380 nan 0.000 0.424 550 A N 0.015 122.815 122.820 -0.034 0.000 1.883 550 A HA -0.133 4.187 4.320 0.001 0.000 0.217 550 A C 2.382 179.940 177.584 -0.043 0.000 1.186 550 A CA 2.268 54.286 52.037 -0.032 0.000 0.624 550 A CB -1.250 17.733 19.000 -0.028 0.000 0.822 550 A HN 0.415 nan 8.150 nan 0.000 0.444 551 T N 0.636 115.151 114.554 -0.065 0.000 2.684 551 T HA -0.140 4.211 4.350 0.001 0.000 0.267 551 T C 1.804 176.461 174.700 -0.072 0.000 1.036 551 T CA 1.638 63.689 62.100 -0.081 0.000 1.148 551 T CB -0.437 68.356 68.868 -0.126 0.000 0.863 551 T HN 0.373 nan 8.240 nan 0.000 0.436 552 L N 0.597 121.776 121.223 -0.073 0.000 2.093 552 L HA -0.064 4.276 4.340 0.001 0.000 0.208 552 L C 2.665 179.523 176.870 -0.020 0.000 1.085 552 L CA 0.700 55.514 54.840 -0.042 0.000 0.755 552 L CB -0.705 41.341 42.059 -0.022 0.000 0.904 552 L HN 0.154 nan 8.230 nan 0.000 0.435 553 V N 0.406 120.308 119.914 -0.020 0.000 2.237 553 V HA -0.309 3.811 4.120 0.001 0.000 0.245 553 V C 2.351 178.435 176.094 -0.016 0.000 1.046 553 V CA 1.994 64.286 62.300 -0.014 0.000 1.007 553 V CB -0.344 31.471 31.823 -0.013 0.000 0.638 553 V HN 0.291 nan 8.190 nan 0.000 0.445 554 I N -0.351 120.205 120.570 -0.023 0.000 2.248 554 I HA -0.274 3.896 4.170 0.001 0.000 0.248 554 I C 1.969 178.073 176.117 -0.022 0.000 1.107 554 I CA 1.692 62.978 61.300 -0.023 0.000 1.373 554 I CB -0.230 37.752 38.000 -0.029 0.000 1.055 554 I HN 0.259 nan 8.210 nan 0.000 0.418 555 L N 0.231 121.439 121.223 -0.025 0.000 2.612 555 L HA 0.049 4.389 4.340 0.001 0.000 0.230 555 L C 0.425 177.289 176.870 -0.010 0.000 1.140 555 L CA 0.240 55.067 54.840 -0.021 0.000 0.896 555 L CB -0.452 41.590 42.059 -0.029 0.000 1.065 555 L HN 0.275 nan 8.230 nan 0.000 0.447 556 E N -0.990 119.206 120.200 -0.008 0.000 2.791 556 E HA -0.240 4.110 4.350 0.001 0.000 0.271 556 E C 0.608 177.212 176.600 0.008 0.000 1.044 556 E CA 0.217 56.617 56.400 -0.001 0.000 0.814 556 E CB -0.785 28.914 29.700 -0.001 0.000 1.400 556 E HN 0.386 nan 8.360 nan 0.000 0.423 557 K N 0.427 120.834 120.400 0.012 0.000 2.400 557 K HA 0.058 4.378 4.320 0.001 0.000 0.194 557 K C 0.871 177.491 176.600 0.034 0.000 1.033 557 K CA 1.300 57.605 56.287 0.030 0.000 1.021 557 K CB 0.290 32.816 32.500 0.043 0.000 0.808 557 K HN 0.459 nan 8.250 nan 0.000 0.505 558 K N -2.492 117.919 120.400 0.019 0.000 2.743 558 K HA 0.366 4.687 4.320 0.001 0.000 0.293 558 K C -0.164 176.439 176.600 0.005 0.000 0.874 558 K CA -0.043 56.252 56.287 0.014 0.000 0.675 558 K CB -0.004 32.511 32.500 0.024 0.000 1.317 558 K HN -0.134 nan 8.250 nan 0.000 0.354 559 E N 0.270 120.471 120.200 0.003 0.000 5.977 559 E HA -0.197 4.153 4.350 0.001 0.000 0.176 559 E C 0.177 176.775 176.600 -0.002 0.000 1.521 559 E CA 1.781 58.181 56.400 -0.001 0.000 2.647 559 E CB -1.606 28.095 29.700 0.001 0.000 1.983 559 E HN 0.665 nan 8.360 nan 0.000 0.408 560 L N 0.000 121.222 121.223 -0.002 0.000 2.949 560 L HA 0.000 4.340 4.340 0.001 0.000 0.249 560 L CA 0.000 54.838 54.840 -0.003 0.000 0.813 560 L CB 0.000 42.057 42.059 -0.002 0.000 0.961 560 L HN 0.000 nan 8.230 nan 0.000 0.502