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 2cwt_1_A DATA FIRST_RESID 9 DATA SEQUENCE ASPFRLASAG EISEVQGILR TAGLLGPEKR IAYLGVLDPA RGAGSEAEDR DATA SEQUENCE RFRVFIHDVS GARPQEVTVS VTNGTVISAV ELDTAATGEL PVLEEEFEVV DATA SEQUENCE EQLLATDERW LKALAARNLD VSKVRVAPLS AGVFEYAEER GRRILRGLAF DATA SEQUENCE VQDFPEDSAW AHPVDGLVAY VDVVSKEVTR VIDTGVFPVP AEHGNYTDPE DATA SEQUENCE LTGPLRTTQK PISITQPEGP SFTVTGGNHI EWEKWSLDVG FDVREGVVLH DATA SEQUENCE NIAFRDGDRL RPIINRASIA EMVVPYGDPS PIRSWQNYFA TGEYLVGQYA DATA SEQUENCE NSLELGCDCL GDITYLSPVI SDAFGNPREI RNGICMHEED WGILAKHSDL DATA SEQUENCE WSGINYTRRN RRMVISFFTT IGNXDYGFYW YLYLDGTIEF EAKATGVVFT DATA SEQUENCE SAFPEGGSDN ISQLAPGLGA PFHQHIFSAR LDMAIDGFTN RVEEEDVVRQ DATA SEQUENCE TMGPGNERGN AFSRKRTVLT RESEAVREAD ARTGRTWIIS NPESKNRLNE DATA SEQUENCE PVGYKLHAHN QPTLLADPGS SIARRAAFAT KDLWVTRYAD DERYPTGDFV DATA SEQUENCE NQHSGGAGLP SYIAQDRDID GQDIVVWHTF GLTHFPRVED WPIMPVDTVG DATA SEQUENCE FKLRPEGFFD RSPVLDVPAN 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 9 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.575 177.584 -0.015 0.000 1.274 9 A CA 0.000 52.033 52.037 -0.007 0.000 0.836 9 A CB 0.000 19.000 19.000 -0.001 0.000 0.831 10 S N 2.499 118.200 115.700 0.001 0.000 2.531 10 S HA 0.399 4.848 4.470 -0.036 0.000 0.279 10 S C -1.166 173.401 174.600 -0.054 0.000 1.305 10 S CA -0.562 57.647 58.200 0.015 0.000 1.058 10 S CB 0.940 64.190 63.200 0.083 0.000 0.899 10 S HN 0.342 nan 8.310 nan 0.000 0.493 11 P HA 0.039 nan 4.420 nan 0.000 0.242 11 P C 0.134 177.068 177.300 -0.609 0.000 1.197 11 P CA 0.691 63.551 63.100 -0.400 0.000 0.765 11 P CB -0.086 31.299 31.700 -0.525 0.000 0.936 12 F N 0.425 120.310 119.950 -0.108 0.000 2.654 12 F HA 0.235 4.740 4.527 -0.036 0.000 0.303 12 F C 1.475 177.206 175.800 -0.114 0.000 1.099 12 F CA -0.838 57.051 58.000 -0.185 0.000 1.270 12 F CB -0.141 38.740 39.000 -0.199 0.000 1.024 12 F HN -0.172 nan 8.300 nan 0.000 0.548 13 R N 0.613 121.137 120.500 0.041 0.000 2.738 13 R HA 0.307 4.625 4.340 -0.036 0.000 0.268 13 R C -0.133 176.187 176.300 0.033 0.000 1.062 13 R CA -0.480 55.650 56.100 0.051 0.000 1.158 13 R CB 0.503 30.824 30.300 0.034 0.000 1.046 13 R HN 0.143 nan 8.270 nan 0.000 0.493 14 L N 1.451 122.706 121.223 0.054 0.000 2.467 14 L HA 0.162 4.481 4.340 -0.036 0.000 0.270 14 L C 0.771 177.680 176.870 0.065 0.000 1.205 14 L CA -0.270 54.606 54.840 0.059 0.000 0.828 14 L CB 0.535 42.630 42.059 0.060 0.000 1.101 14 L HN 0.853 nan 8.230 nan 0.000 0.479 15 A N 2.059 124.932 122.820 0.088 0.000 2.462 15 A HA 0.389 4.687 4.320 -0.036 0.000 0.243 15 A C 0.285 177.942 177.584 0.121 0.000 1.076 15 A CA -0.230 51.907 52.037 0.166 0.000 0.773 15 A CB 0.215 19.368 19.000 0.255 0.000 1.010 15 A HN 0.751 nan 8.150 nan 0.000 0.493 16 S N 1.114 116.882 115.700 0.114 0.000 2.690 16 S HA 0.615 5.063 4.470 -0.036 0.000 0.291 16 S C 1.106 175.723 174.600 0.029 0.000 1.138 16 S CA -0.185 58.048 58.200 0.055 0.000 1.013 16 S CB 1.546 64.769 63.200 0.039 0.000 1.053 16 S HN 1.550 nan 8.310 nan 0.000 0.539 17 A N 1.482 124.307 122.820 0.009 0.000 1.933 17 A HA 0.151 4.449 4.320 -0.036 0.000 0.218 17 A C 2.098 179.664 177.584 -0.031 0.000 1.175 17 A CA 1.656 53.688 52.037 -0.009 0.000 0.628 17 A CB -1.720 17.276 19.000 -0.007 0.000 0.814 17 A HN 1.149 nan 8.150 nan 0.000 0.444 18 G N -0.494 108.290 108.800 -0.026 0.000 2.422 18 G HA2 -0.195 3.744 3.960 -0.036 0.000 0.218 18 G HA3 -0.195 3.744 3.960 -0.036 0.000 0.218 18 G C 1.416 176.266 174.900 -0.083 0.000 1.146 18 G CA 0.939 46.014 45.100 -0.042 0.000 0.769 18 G HN 0.658 nan 8.290 nan 0.000 0.547 19 E N -0.041 120.105 120.200 -0.089 0.000 2.106 19 E HA -0.080 4.248 4.350 -0.036 0.000 0.192 19 E C 2.513 178.871 176.600 -0.402 0.000 0.984 19 E CA 0.495 56.769 56.400 -0.209 0.000 0.806 19 E CB -0.048 29.602 29.700 -0.083 0.000 0.750 19 E HN 0.313 nan 8.360 nan 0.000 0.458 20 I N 1.006 121.413 120.570 -0.272 0.000 2.226 20 I HA -0.205 3.943 4.170 -0.036 0.000 0.245 20 I C 2.305 178.304 176.117 -0.196 0.000 1.100 20 I CA 1.163 62.307 61.300 -0.260 0.000 1.374 20 I CB -1.222 36.713 38.000 -0.109 0.000 1.057 20 I HN -0.023 nan 8.210 nan 0.000 0.413 21 S N 0.529 116.151 115.700 -0.130 0.000 2.383 21 S HA -0.158 4.291 4.470 -0.036 0.000 0.229 21 S C 1.841 176.378 174.600 -0.106 0.000 1.030 21 S CA 1.074 59.220 58.200 -0.090 0.000 1.002 21 S CB -0.116 63.048 63.200 -0.061 0.000 0.829 21 S HN 0.427 nan 8.310 nan 0.000 0.467 22 E N 0.867 120.982 120.200 -0.142 0.000 2.072 22 E HA -0.053 4.275 4.350 -0.036 0.000 0.191 22 E C 2.304 178.813 176.600 -0.153 0.000 0.985 22 E CA 0.687 57.007 56.400 -0.133 0.000 0.801 22 E CB -0.554 29.062 29.700 -0.140 0.000 0.750 22 E HN 0.334 nan 8.360 nan 0.000 0.452 23 V N 1.608 121.375 119.914 -0.245 0.000 2.332 23 V HA -0.283 3.816 4.120 -0.036 0.000 0.248 23 V C 2.675 178.700 176.094 -0.115 0.000 1.055 23 V CA 2.096 64.264 62.300 -0.220 0.000 1.038 23 V CB -0.552 31.065 31.823 -0.343 0.000 0.651 23 V HN 0.307 nan 8.190 nan 0.000 0.450 24 Q N 0.109 119.848 119.800 -0.102 0.000 2.050 24 Q HA -0.180 4.139 4.340 -0.036 0.000 0.202 24 Q C 2.260 178.241 176.000 -0.032 0.000 0.980 24 Q CA 2.150 57.925 55.803 -0.046 0.000 0.840 24 Q CB -0.495 28.224 28.738 -0.032 0.000 0.898 24 Q HN 0.643 nan 8.270 nan 0.000 0.424 25 G N 0.990 109.763 108.800 -0.044 0.000 2.418 25 G HA2 -0.222 3.716 3.960 -0.036 0.000 0.217 25 G HA3 -0.222 3.716 3.960 -0.036 0.000 0.217 25 G C 1.423 176.307 174.900 -0.027 0.000 1.158 25 G CA 0.882 45.962 45.100 -0.032 0.000 0.771 25 G HN 0.371 nan 8.290 nan 0.000 0.545 26 I N 0.380 120.928 120.570 -0.037 0.000 2.179 26 I HA -0.153 3.995 4.170 -0.036 0.000 0.242 26 I C 2.728 178.838 176.117 -0.011 0.000 1.088 26 I CA 0.778 62.063 61.300 -0.025 0.000 1.357 26 I CB -0.240 37.740 38.000 -0.033 0.000 1.051 26 I HN 0.130 nan 8.210 nan 0.000 0.409 27 L N 0.086 121.303 121.223 -0.010 0.000 2.046 27 L HA -0.208 4.110 4.340 -0.036 0.000 0.208 27 L C 2.767 179.643 176.870 0.009 0.000 1.077 27 L CA 1.252 56.096 54.840 0.006 0.000 0.747 27 L CB -0.566 41.500 42.059 0.012 0.000 0.896 27 L HN 0.185 nan 8.230 nan 0.000 0.432 28 R N 0.035 120.538 120.500 0.005 0.000 2.080 28 R HA -0.152 4.166 4.340 -0.036 0.000 0.236 28 R C 2.237 178.539 176.300 0.004 0.000 1.137 28 R CA 2.196 58.301 56.100 0.008 0.000 0.943 28 R CB -0.591 29.711 30.300 0.004 0.000 0.846 28 R HN 0.156 nan 8.270 nan 0.000 0.431 29 T N 0.040 114.593 114.554 -0.001 0.000 2.881 29 T HA -0.074 4.254 4.350 -0.036 0.000 0.270 29 T C 1.486 176.186 174.700 0.001 0.000 1.068 29 T CA 1.217 63.316 62.100 -0.002 0.000 1.131 29 T CB -0.214 68.650 68.868 -0.006 0.000 0.871 29 T HN 0.450 nan 8.240 nan 0.000 0.479 30 A N 0.319 123.141 122.820 0.003 0.000 2.238 30 A HA 0.508 4.806 4.320 -0.036 0.000 0.208 30 A C 1.897 179.486 177.584 0.008 0.000 1.177 30 A CA 0.745 52.786 52.037 0.007 0.000 0.804 30 A CB -0.698 18.308 19.000 0.010 0.000 0.823 30 A HN 0.681 nan 8.150 nan 0.000 0.482 31 G N -1.135 107.670 108.800 0.008 0.000 2.147 31 G HA2 -0.235 3.703 3.960 -0.036 0.000 0.244 31 G HA3 -0.235 3.703 3.960 -0.036 0.000 0.244 31 G C 0.501 175.408 174.900 0.012 0.000 1.005 31 G CA 0.487 45.592 45.100 0.008 0.000 0.713 31 G HN 0.533 nan 8.290 nan 0.000 0.515 32 L N -1.150 120.083 121.223 0.017 0.000 2.640 32 L HA 0.463 4.781 4.340 -0.036 0.000 0.230 32 L C 1.065 177.952 176.870 0.028 0.000 1.123 32 L CA -0.009 54.844 54.840 0.022 0.000 0.900 32 L CB 0.528 42.604 42.059 0.029 0.000 1.146 32 L HN 0.180 nan 8.230 nan 0.000 0.484 33 L N 0.606 121.846 121.223 0.029 0.000 2.839 33 L HA 0.492 4.811 4.340 -0.036 0.000 0.259 33 L C 0.759 177.656 176.870 0.046 0.000 1.369 33 L CA -0.192 54.674 54.840 0.043 0.000 0.845 33 L CB 0.380 42.468 42.059 0.048 0.000 1.181 33 L HN -0.034 nan 8.230 nan 0.000 0.529 34 G N 0.475 109.296 108.800 0.034 0.000 2.653 34 G HA2 0.272 4.211 3.960 -0.036 0.000 0.265 34 G HA3 0.272 4.211 3.960 -0.036 0.000 0.265 34 G C -1.648 173.282 174.900 0.049 0.000 1.237 34 G CA -0.687 44.431 45.100 0.029 0.000 0.946 34 G HN 0.348 nan 8.290 nan 0.000 0.522 35 P HA -0.104 nan 4.420 nan 0.000 0.217 35 P C 1.634 178.982 177.300 0.079 0.000 1.148 35 P CA 1.442 64.575 63.100 0.056 0.000 0.828 35 P CB 0.223 31.938 31.700 0.025 0.000 0.783 36 E N -0.970 119.253 120.200 0.039 0.000 2.489 36 E HA -0.019 4.309 4.350 -0.036 0.000 0.193 36 E C 0.158 176.751 176.600 -0.011 0.000 1.057 36 E CA 0.639 57.046 56.400 0.012 0.000 0.866 36 E CB -0.228 29.457 29.700 -0.024 0.000 0.916 36 E HN 0.120 nan 8.360 nan 0.000 0.500 37 K N 1.525 121.939 120.400 0.025 0.000 2.118 37 K HA 0.395 4.693 4.320 -0.036 0.000 0.267 37 K C 0.232 176.850 176.600 0.030 0.000 0.991 37 K CA -0.545 55.748 56.287 0.011 0.000 0.916 37 K CB 1.301 33.819 32.500 0.030 0.000 1.041 37 K HN -0.030 nan 8.250 nan 0.000 0.455 38 R N 1.528 122.032 120.500 0.006 0.000 2.651 38 R HA 0.428 4.746 4.340 -0.036 0.000 0.278 38 R C -0.411 175.896 176.300 0.011 0.000 1.010 38 R CA -0.930 55.138 56.100 -0.053 0.000 0.896 38 R CB 1.311 31.585 30.300 -0.042 0.000 1.211 38 R HN 0.446 nan 8.270 nan 0.000 0.456 39 I N 2.537 123.082 120.570 -0.042 0.000 2.308 39 I HA 0.151 4.299 4.170 -0.036 0.000 0.293 39 I C 1.348 177.482 176.117 0.028 0.000 1.078 39 I CA 0.041 61.351 61.300 0.016 0.000 1.292 39 I CB 0.655 38.642 38.000 -0.021 0.000 1.423 39 I HN 0.736 nan 8.210 nan 0.000 0.493 40 A N 6.676 129.576 122.820 0.132 0.000 2.081 40 A HA 0.010 4.308 4.320 -0.036 0.000 0.214 40 A C 0.422 178.137 177.584 0.219 0.000 1.158 40 A CA 0.730 52.860 52.037 0.154 0.000 0.724 40 A CB 0.171 19.300 19.000 0.215 0.000 0.826 40 A HN 0.643 nan 8.150 nan 0.000 0.463 41 Y N -2.036 118.293 120.300 0.047 0.000 2.521 41 Y HA 0.561 5.089 4.550 -0.037 0.000 0.328 41 Y C -1.844 173.960 175.900 -0.160 0.000 1.151 41 Y CA -1.240 56.786 58.100 -0.124 0.000 1.054 41 Y CB 1.210 39.445 38.460 -0.375 0.000 1.338 41 Y HN 0.155 nan 8.280 nan 0.000 0.453 42 L N 5.190 125.699 121.223 -1.191 0.000 2.543 42 L HA 0.932 5.251 4.340 -0.036 0.000 0.265 42 L C -1.296 175.033 176.870 -0.901 0.000 0.945 42 L CA -0.170 54.199 54.840 -0.786 0.000 0.869 42 L CB 1.895 43.789 42.059 -0.275 0.000 1.294 42 L HN 0.951 nan 8.230 nan 0.000 0.405 43 G N 2.811 111.242 108.800 -0.614 0.000 2.704 43 G HA2 0.491 4.429 3.960 -0.036 0.000 0.293 43 G HA3 0.491 4.430 3.960 -0.036 0.000 0.293 43 G C -1.879 172.817 174.900 -0.340 0.000 1.421 43 G CA -0.554 44.337 45.100 -0.347 0.000 0.870 43 G HN 0.490 nan 8.290 nan 0.000 0.492 44 V N 1.365 120.924 119.914 -0.592 0.000 2.732 44 V HA 0.564 4.662 4.120 -0.036 0.000 0.297 44 V C 0.122 175.966 176.094 -0.416 0.000 1.060 44 V CA -0.539 61.179 62.300 -0.971 0.000 1.038 44 V CB 0.867 32.097 31.823 -0.988 0.000 1.003 44 V HN 0.559 nan 8.190 nan 0.000 0.481 45 L N 5.624 126.643 121.223 -0.340 0.000 2.312 45 L HA 0.432 4.750 4.340 -0.036 0.000 0.281 45 L C 0.055 176.831 176.870 -0.156 0.000 1.070 45 L CA -0.645 54.098 54.840 -0.161 0.000 0.805 45 L CB 1.004 43.005 42.059 -0.097 0.000 1.174 45 L HN 0.621 nan 8.230 nan 0.000 0.434 46 D N 3.233 123.584 120.400 -0.080 0.000 2.357 46 D HA 0.207 4.826 4.640 -0.036 0.000 0.242 46 D C -2.009 174.240 176.300 -0.085 0.000 1.153 46 D CA -0.880 53.083 54.000 -0.062 0.000 0.918 46 D CB 0.357 41.209 40.800 0.087 0.000 1.181 46 D HN 0.255 nan 8.370 nan 0.000 0.435 47 P HA 0.224 nan 4.420 nan 0.000 0.271 47 P C -0.744 176.536 177.300 -0.033 0.000 1.218 47 P CA -0.219 62.803 63.100 -0.131 0.000 0.780 47 P CB 0.609 32.167 31.700 -0.236 0.000 0.901 48 A N 3.167 125.970 122.820 -0.030 0.000 2.296 48 A HA 0.312 4.610 4.320 -0.036 0.000 0.264 48 A C 0.247 177.816 177.584 -0.025 0.000 1.097 48 A CA -0.418 51.616 52.037 -0.005 0.000 0.811 48 A CB 0.183 19.180 19.000 -0.005 0.000 1.072 48 A HN 0.386 nan 8.150 nan 0.000 0.495 49 R N 0.270 120.741 120.500 -0.049 0.000 2.399 49 R HA 0.393 4.711 4.340 -0.036 0.000 0.324 49 R C 0.404 176.673 176.300 -0.052 0.000 1.030 49 R CA 0.922 56.955 56.100 -0.113 0.000 0.984 49 R CB -0.807 29.375 30.300 -0.197 0.000 0.961 49 R HN 1.664 nan 8.270 nan 0.000 0.433 50 G N 1.354 110.141 108.800 -0.021 0.000 2.730 50 G HA2 0.019 3.957 3.960 -0.036 0.000 0.644 50 G HA3 0.019 3.957 3.960 -0.036 0.000 0.644 50 G C 0.033 174.935 174.900 0.004 0.000 1.168 50 G CA -0.314 44.786 45.100 -0.000 0.000 1.240 50 G HN 0.616 nan 8.290 nan 0.000 0.551 51 A N 0.782 123.615 122.820 0.021 0.000 2.476 51 A HA 0.642 4.940 4.320 -0.036 0.000 0.263 51 A C 2.081 179.670 177.584 0.008 0.000 1.342 51 A CA 1.368 53.411 52.037 0.011 0.000 0.926 51 A CB -0.094 18.926 19.000 0.032 0.000 1.019 51 A HN 1.865 nan 8.150 nan 0.000 0.515 52 G N 0.374 109.178 108.800 0.007 0.000 2.448 52 G HA2 -0.005 3.934 3.960 -0.036 0.000 0.218 52 G HA3 -0.005 3.934 3.960 -0.036 0.000 0.218 52 G C 0.998 175.897 174.900 -0.001 0.000 1.135 52 G CA 0.846 45.950 45.100 0.006 0.000 0.784 52 G HN 0.778 nan 8.290 nan 0.000 0.543 53 S N 1.907 117.603 115.700 -0.007 0.000 2.423 53 S HA 0.303 4.751 4.470 -0.036 0.000 0.302 53 S C 0.008 174.599 174.600 -0.016 0.000 1.143 53 S CA -0.640 57.553 58.200 -0.011 0.000 1.080 53 S CB 0.807 63.999 63.200 -0.014 0.000 1.081 53 S HN 0.245 nan 8.310 nan 0.000 0.522 54 E N 2.183 122.376 120.200 -0.012 0.000 2.508 54 E HA 0.179 4.507 4.350 -0.036 0.000 0.266 54 E C 0.763 177.351 176.600 -0.020 0.000 1.010 54 E CA 1.022 57.414 56.400 -0.014 0.000 0.955 54 E CB -0.046 29.649 29.700 -0.009 0.000 0.946 54 E HN 1.316 nan 8.360 nan 0.000 0.454 55 A N 2.218 125.023 122.820 -0.025 0.000 1.507 55 A HA -0.168 4.131 4.320 -0.036 0.000 0.191 55 A C 0.480 178.040 177.584 -0.039 0.000 1.258 55 A CA 0.967 52.986 52.037 -0.030 0.000 0.630 55 A CB -0.847 18.141 19.000 -0.020 0.000 1.129 55 A HN 0.514 nan 8.150 nan 0.000 0.175 56 E N 2.305 122.469 120.200 -0.059 0.000 2.373 56 E HA 0.413 4.741 4.350 -0.036 0.000 0.263 56 E C -0.276 176.291 176.600 -0.056 0.000 1.073 56 E CA -0.189 56.167 56.400 -0.074 0.000 0.894 56 E CB 0.879 30.502 29.700 -0.129 0.000 1.008 56 E HN 0.594 nan 8.360 nan 0.000 0.420 57 D N 1.978 122.350 120.400 -0.047 0.000 2.347 57 D HA 0.093 4.711 4.640 -0.036 0.000 0.235 57 D C -0.568 175.718 176.300 -0.023 0.000 1.149 57 D CA -0.518 53.468 54.000 -0.023 0.000 0.850 57 D CB 0.423 41.215 40.800 -0.013 0.000 1.061 57 D HN 0.125 nan 8.370 nan 0.000 0.487 58 R N 4.054 124.555 120.500 0.002 0.000 2.399 58 R HA 0.241 4.559 4.340 -0.036 0.000 0.324 58 R C 0.077 176.441 176.300 0.108 0.000 1.030 58 R CA 0.071 56.191 56.100 0.032 0.000 0.984 58 R CB 0.134 30.493 30.300 0.098 0.000 0.961 58 R HN 0.480 nan 8.270 nan 0.000 0.433 59 R N 2.379 122.906 120.500 0.046 0.000 2.711 59 R HA 0.494 4.812 4.340 -0.036 0.000 0.284 59 R C -0.697 175.641 176.300 0.063 0.000 0.968 59 R CA -0.675 55.490 56.100 0.110 0.000 0.924 59 R CB 1.495 31.816 30.300 0.036 0.000 1.162 59 R HN 0.220 nan 8.270 nan 0.000 0.465 60 F N 0.577 120.514 119.950 -0.022 0.000 2.532 60 F HA 0.476 4.981 4.527 -0.036 0.000 0.321 60 F C 0.332 176.126 175.800 -0.010 0.000 1.089 60 F CA -0.839 57.141 58.000 -0.033 0.000 0.926 60 F CB 1.822 40.789 39.000 -0.054 0.000 1.168 60 F HN 0.173 nan 8.300 nan 0.000 0.459 61 R N 2.172 122.744 120.500 0.120 0.000 2.393 61 R HA 0.829 5.147 4.340 -0.036 0.000 0.310 61 R C -1.930 174.423 176.300 0.088 0.000 0.968 61 R CA -0.459 55.718 56.100 0.128 0.000 0.867 61 R CB 1.383 31.766 30.300 0.138 0.000 1.124 61 R HN 0.560 nan 8.270 nan 0.000 0.450 62 V N 4.814 124.820 119.914 0.154 0.000 2.760 62 V HA 0.488 4.586 4.120 -0.036 0.000 0.309 62 V C -1.111 175.230 176.094 0.411 0.000 1.077 62 V CA -0.843 61.542 62.300 0.141 0.000 0.910 62 V CB 1.980 33.870 31.823 0.112 0.000 1.008 62 V HN 0.570 nan 8.190 nan 0.000 0.424 63 F N 4.088 124.197 119.950 0.265 0.000 2.388 63 F HA 0.611 5.116 4.527 -0.037 0.000 0.358 63 F C 0.144 176.047 175.800 0.171 0.000 1.122 63 F CA -1.705 56.451 58.000 0.261 0.000 1.056 63 F CB 1.267 40.468 39.000 0.336 0.000 1.155 63 F HN 0.220 nan 8.300 nan 0.000 0.461 64 I N 4.116 124.871 120.570 0.309 0.000 2.330 64 I HA 0.187 4.336 4.170 -0.036 0.000 0.289 64 I C -0.187 176.028 176.117 0.163 0.000 1.001 64 I CA -0.667 60.745 61.300 0.187 0.000 1.193 64 I CB 1.164 39.235 38.000 0.118 0.000 1.345 64 I HN 0.509 nan 8.210 nan 0.000 0.461 65 H N 5.977 125.078 119.070 0.051 0.000 2.482 65 H HA 0.332 4.866 4.556 -0.036 0.000 0.344 65 H C -1.082 174.243 175.328 -0.005 0.000 1.151 65 H CA -0.347 55.707 56.048 0.009 0.000 1.300 65 H CB 1.355 31.115 29.762 -0.003 0.000 1.494 65 H HN 0.485 nan 8.280 nan 0.000 0.542 66 D N 4.132 124.092 120.400 -0.733 0.000 2.471 66 D HA 0.069 4.687 4.640 -0.036 0.000 0.245 66 D C 1.056 176.927 176.300 -0.715 0.000 1.116 66 D CA -0.508 53.184 54.000 -0.514 0.000 0.853 66 D CB 1.342 41.992 40.800 -0.250 0.000 1.123 66 D HN 0.478 nan 8.370 nan 0.000 0.540 67 V N 2.239 121.889 119.914 -0.439 0.000 3.241 67 V HA -0.085 4.013 4.120 -0.036 0.000 0.269 67 V C 1.485 177.513 176.094 -0.110 0.000 1.151 67 V CA 1.747 63.924 62.300 -0.205 0.000 1.158 67 V CB -0.862 30.937 31.823 -0.040 0.000 0.764 67 V HN 0.495 nan 8.190 nan 0.000 0.508 68 S N -0.545 115.082 115.700 -0.121 0.000 2.575 68 S HA 0.467 4.915 4.470 -0.036 0.000 0.215 68 S C 1.670 176.230 174.600 -0.066 0.000 0.966 68 S CA 0.618 58.776 58.200 -0.069 0.000 0.911 68 S CB 0.247 63.414 63.200 -0.055 0.000 0.780 68 S HN 1.712 nan 8.310 nan 0.000 0.514 69 G N 0.681 109.426 108.800 -0.092 0.000 2.175 69 G HA2 -0.122 3.816 3.960 -0.036 0.000 0.244 69 G HA3 -0.122 3.816 3.960 -0.036 0.000 0.244 69 G C 0.369 175.230 174.900 -0.066 0.000 0.982 69 G CA -0.092 44.972 45.100 -0.061 0.000 0.641 69 G HN 1.247 nan 8.290 nan 0.000 0.527 70 A N -0.145 122.624 122.820 -0.084 0.000 2.386 70 A HA 0.678 4.976 4.320 -0.036 0.000 0.246 70 A C 0.850 178.389 177.584 -0.075 0.000 1.089 70 A CA 0.629 52.624 52.037 -0.070 0.000 0.790 70 A CB 0.169 19.129 19.000 -0.067 0.000 1.042 70 A HN 0.827 nan 8.150 nan 0.000 0.497 71 R N 1.136 121.601 120.500 -0.059 0.000 2.502 71 R HA 0.164 4.483 4.340 -0.036 0.000 0.292 71 R C -2.087 174.174 176.300 -0.064 0.000 0.998 71 R CA -0.482 55.581 56.100 -0.061 0.000 1.056 71 R CB 0.107 30.375 30.300 -0.053 0.000 0.939 71 R HN 0.587 nan 8.270 nan 0.000 0.411 72 P HA 0.126 nan 4.420 nan 0.000 0.277 72 P C -1.233 176.037 177.300 -0.050 0.000 1.271 72 P CA -0.400 62.672 63.100 -0.047 0.000 0.795 72 P CB 0.966 32.644 31.700 -0.038 0.000 1.101 73 Q N -1.090 118.710 119.800 0.001 0.000 2.416 73 Q HA 0.400 4.718 4.340 -0.036 0.000 0.281 73 Q C -1.012 175.058 176.000 0.117 0.000 1.067 73 Q CA -0.671 55.149 55.803 0.028 0.000 0.809 73 Q CB 2.551 31.316 28.738 0.045 0.000 1.418 73 Q HN 0.420 nan 8.270 nan 0.000 0.411 74 E N 1.509 121.794 120.200 0.141 0.000 2.129 74 E HA 0.487 4.815 4.350 -0.036 0.000 0.268 74 E C -1.522 175.214 176.600 0.228 0.000 0.900 74 E CA -0.512 56.067 56.400 0.298 0.000 0.755 74 E CB 1.324 31.213 29.700 0.314 0.000 1.117 74 E HN 0.318 nan 8.360 nan 0.000 0.410 75 V N 3.413 123.473 119.914 0.242 0.000 2.604 75 V HA 0.405 4.503 4.120 -0.036 0.000 0.305 75 V C -0.221 175.968 176.094 0.159 0.000 1.043 75 V CA -0.749 61.649 62.300 0.162 0.000 0.888 75 V CB 2.177 34.075 31.823 0.124 0.000 0.995 75 V HN 0.700 nan 8.190 nan 0.000 0.429 76 T N 4.043 118.671 114.554 0.123 0.000 2.779 76 T HA 0.668 4.996 4.350 -0.036 0.000 0.280 76 T C -0.411 174.345 174.700 0.094 0.000 0.987 76 T CA -0.425 61.744 62.100 0.114 0.000 0.966 76 T CB 1.479 70.404 68.868 0.095 0.000 0.933 76 T HN 0.781 nan 8.240 nan 0.000 0.442 77 V N 0.550 120.529 119.914 0.108 0.000 2.914 77 V HA 0.903 5.002 4.120 -0.036 0.000 0.314 77 V C -0.223 175.932 176.094 0.102 0.000 1.084 77 V CA -0.947 61.402 62.300 0.082 0.000 0.963 77 V CB 2.141 33.995 31.823 0.051 0.000 1.025 77 V HN 0.748 nan 8.190 nan 0.000 0.432 78 S N 1.645 117.384 115.700 0.065 0.000 2.438 78 S HA 0.443 4.891 4.470 -0.036 0.000 0.316 78 S C 0.685 175.310 174.600 0.043 0.000 1.084 78 S CA -0.046 58.194 58.200 0.067 0.000 1.107 78 S CB 1.079 64.303 63.200 0.039 0.000 0.981 78 S HN 1.826 nan 8.310 nan 0.000 0.466 79 V N 3.579 123.530 119.914 0.061 0.000 3.129 79 V HA 0.055 4.154 4.120 -0.036 0.000 0.259 79 V C 1.871 177.970 176.094 0.008 0.000 1.116 79 V CA 1.556 63.855 62.300 -0.003 0.000 1.127 79 V CB -1.461 30.335 31.823 -0.045 0.000 0.742 79 V HN 0.767 nan 8.190 nan 0.000 0.474 80 T N 1.664 116.235 114.554 0.028 0.000 2.737 80 T HA -0.064 4.265 4.350 -0.036 0.000 0.265 80 T C 1.695 176.398 174.700 0.005 0.000 1.038 80 T CA 2.005 64.114 62.100 0.015 0.000 1.144 80 T CB -0.355 68.522 68.868 0.014 0.000 0.866 80 T HN 0.561 nan 8.240 nan 0.000 0.434 81 N N 0.192 118.896 118.700 0.007 0.000 2.325 81 N HA 0.156 4.875 4.740 -0.036 0.000 0.182 81 N C 1.226 176.736 175.510 -0.000 0.000 1.088 81 N CA 0.608 53.660 53.050 0.003 0.000 0.879 81 N CB 0.526 39.017 38.487 0.006 0.000 0.983 81 N HN 0.505 nan 8.380 nan 0.000 0.471 82 G N 1.804 110.603 108.800 -0.003 0.000 2.272 82 G HA2 -0.257 3.681 3.960 -0.036 0.000 0.280 82 G HA3 -0.257 3.681 3.960 -0.036 0.000 0.280 82 G C 0.126 175.024 174.900 -0.005 0.000 1.067 82 G CA 0.954 46.048 45.100 -0.011 0.000 0.902 82 G HN 0.510 nan 8.290 nan 0.000 0.500 83 T N -3.902 110.654 114.554 0.003 0.000 2.901 83 T HA 0.707 5.035 4.350 -0.036 0.000 0.293 83 T C -0.341 174.370 174.700 0.017 0.000 1.084 83 T CA -0.584 61.521 62.100 0.008 0.000 1.008 83 T CB 2.689 71.564 68.868 0.010 0.000 1.170 83 T HN 0.801 nan 8.240 nan 0.000 0.509 84 V N 2.643 122.569 119.914 0.019 0.000 2.348 84 V HA 0.298 4.396 4.120 -0.036 0.000 0.270 84 V C 1.207 177.320 176.094 0.031 0.000 1.037 84 V CA -0.465 61.852 62.300 0.029 0.000 0.872 84 V CB 0.257 32.097 31.823 0.027 0.000 1.002 84 V HN 0.864 nan 8.190 nan 0.000 0.464 85 I N 2.826 123.420 120.570 0.039 0.000 2.333 85 I HA 0.026 4.174 4.170 -0.036 0.000 0.246 85 I C 1.105 177.245 176.117 0.038 0.000 1.106 85 I CA 1.132 62.454 61.300 0.036 0.000 1.411 85 I CB 0.245 38.269 38.000 0.040 0.000 1.082 85 I HN 0.635 nan 8.210 nan 0.000 0.420 86 S N -0.258 115.472 115.700 0.049 0.000 2.550 86 S HA 0.783 5.231 4.470 -0.036 0.000 0.270 86 S C -1.607 173.031 174.600 0.063 0.000 1.145 86 S CA -0.426 57.805 58.200 0.051 0.000 0.852 86 S CB 1.823 65.056 63.200 0.055 0.000 1.119 86 S HN 0.161 nan 8.310 nan 0.000 0.465 87 A N 2.932 125.785 122.820 0.055 0.000 2.476 87 A HA 0.684 4.982 4.320 -0.036 0.000 0.280 87 A C -1.510 176.102 177.584 0.047 0.000 1.081 87 A CA -0.439 51.633 52.037 0.059 0.000 0.753 87 A CB 1.158 20.186 19.000 0.046 0.000 1.248 87 A HN 0.862 nan 8.150 nan 0.000 0.424 88 V N 2.513 122.460 119.914 0.055 0.000 2.495 88 V HA 0.342 4.440 4.120 -0.036 0.000 0.298 88 V C 0.146 176.246 176.094 0.010 0.000 1.031 88 V CA -0.634 61.686 62.300 0.032 0.000 0.871 88 V CB 1.789 33.636 31.823 0.041 0.000 0.988 88 V HN 0.935 nan 8.190 nan 0.000 0.432 89 E N 3.935 124.129 120.200 -0.011 0.000 2.360 89 E HA 0.355 4.684 4.350 -0.036 0.000 0.269 89 E C -0.985 175.570 176.600 -0.074 0.000 1.022 89 E CA -0.192 56.185 56.400 -0.037 0.000 0.887 89 E CB 1.103 30.784 29.700 -0.033 0.000 0.990 89 E HN 0.447 nan 8.360 nan 0.000 0.426 90 L N 2.588 123.736 121.223 -0.126 0.000 2.307 90 L HA 0.233 4.551 4.340 -0.036 0.000 0.282 90 L C 0.264 177.021 176.870 -0.187 0.000 1.051 90 L CA -0.567 54.141 54.840 -0.220 0.000 0.804 90 L CB 1.019 42.830 42.059 -0.413 0.000 1.197 90 L HN 0.437 nan 8.230 nan 0.000 0.431 91 D N 1.398 121.692 120.400 -0.177 0.000 2.499 91 D HA 0.059 4.677 4.640 -0.036 0.000 0.225 91 D C 1.305 177.516 176.300 -0.150 0.000 1.124 91 D CA -0.204 53.721 54.000 -0.125 0.000 0.938 91 D CB 1.157 41.908 40.800 -0.082 0.000 1.014 91 D HN 0.693 nan 8.370 nan 0.000 0.517 92 T N 0.348 114.805 114.554 -0.161 0.000 2.803 92 T HA -0.192 4.137 4.350 -0.036 0.000 0.269 92 T C 1.840 176.499 174.700 -0.068 0.000 1.052 92 T CA 1.120 63.130 62.100 -0.151 0.000 1.136 92 T CB -0.080 68.717 68.868 -0.119 0.000 0.864 92 T HN 0.243 nan 8.240 nan 0.000 0.467 93 A N 1.121 123.915 122.820 -0.043 0.000 2.067 93 A HA 0.473 4.771 4.320 -0.036 0.000 0.219 93 A C 2.594 180.162 177.584 -0.026 0.000 1.158 93 A CA 1.540 53.574 52.037 -0.006 0.000 0.661 93 A CB -0.944 18.056 19.000 0.001 0.000 0.801 93 A HN 0.775 nan 8.150 nan 0.000 0.452 94 A N -0.911 121.885 122.820 -0.041 0.000 1.909 94 A HA 0.142 4.440 4.320 -0.036 0.000 0.210 94 A C 2.164 179.761 177.584 0.022 0.000 1.273 94 A CA 1.680 53.696 52.037 -0.035 0.000 0.654 94 A CB -0.721 18.261 19.000 -0.030 0.000 0.945 94 A HN 0.656 nan 8.150 nan 0.000 0.471 95 T N -3.169 111.393 114.554 0.013 0.000 3.086 95 T HA 0.473 4.801 4.350 -0.036 0.000 0.250 95 T C 0.846 175.637 174.700 0.151 0.000 1.074 95 T CA 0.852 63.002 62.100 0.084 0.000 0.988 95 T CB -0.180 68.677 68.868 -0.019 0.000 0.988 95 T HN 1.927 nan 8.240 nan 0.000 0.530 96 G N 0.806 109.666 108.800 0.099 0.000 2.629 96 G HA2 0.027 3.966 3.960 -0.036 0.000 0.686 96 G HA3 0.027 3.966 3.960 -0.036 0.000 0.686 96 G C -1.080 173.790 174.900 -0.050 0.000 1.232 96 G CA -1.055 44.109 45.100 0.107 0.000 0.803 96 G HN 0.244 nan 8.290 nan 0.000 0.638 97 E N -0.501 119.701 120.200 0.003 0.000 2.374 97 E HA 0.512 4.840 4.350 -0.036 0.000 0.260 97 E C 0.701 177.305 176.600 0.006 0.000 1.101 97 E CA -0.561 55.815 56.400 -0.040 0.000 0.907 97 E CB 1.140 30.829 29.700 -0.019 0.000 1.014 97 E HN 0.370 nan 8.360 nan 0.000 0.427 98 L N 2.485 123.691 121.223 -0.028 0.000 2.466 98 L HA 0.209 4.528 4.340 -0.036 0.000 0.257 98 L C -1.997 174.900 176.870 0.044 0.000 1.189 98 L CA -1.369 53.516 54.840 0.075 0.000 0.813 98 L CB -0.606 41.488 42.059 0.058 0.000 1.118 98 L HN 0.293 nan 8.230 nan 0.000 0.471 99 P HA -0.001 nan 4.420 nan 0.000 0.267 99 P C -0.888 176.371 177.300 -0.068 0.000 1.201 99 P CA -0.240 62.899 63.100 0.066 0.000 0.775 99 P CB 0.297 32.085 31.700 0.147 0.000 0.854 100 V N 3.621 123.447 119.914 -0.148 0.000 2.655 100 V HA 0.006 4.104 4.120 -0.036 0.000 0.300 100 V C 0.757 176.645 176.094 -0.344 0.000 1.044 100 V CA 0.123 62.190 62.300 -0.388 0.000 1.095 100 V CB -0.234 31.156 31.823 -0.721 0.000 0.952 100 V HN 0.318 nan 8.190 nan 0.000 0.485 101 L N 3.199 124.187 121.223 -0.392 0.000 2.350 101 L HA 0.306 4.625 4.340 -0.036 0.000 0.275 101 L C 1.600 178.339 176.870 -0.217 0.000 1.099 101 L CA -0.102 54.601 54.840 -0.227 0.000 0.808 101 L CB 0.866 42.811 42.059 -0.190 0.000 1.149 101 L HN 0.757 nan 8.230 nan 0.000 0.442 102 E N 1.689 121.920 120.200 0.051 0.000 2.118 102 E HA -0.256 4.072 4.350 -0.036 0.000 0.195 102 E C 1.583 178.286 176.600 0.171 0.000 0.992 102 E CA 1.819 58.390 56.400 0.284 0.000 0.804 102 E CB 0.227 30.122 29.700 0.324 0.000 0.741 102 E HN 0.790 nan 8.360 nan 0.000 0.458 103 E N 0.004 120.237 120.200 0.054 0.000 2.268 103 E HA -0.193 4.135 4.350 -0.036 0.000 0.195 103 E C 1.645 178.250 176.600 0.007 0.000 0.995 103 E CA 0.955 57.385 56.400 0.050 0.000 0.836 103 E CB -0.062 29.658 29.700 0.032 0.000 0.763 103 E HN 0.348 nan 8.360 nan 0.000 0.491 104 E N 0.026 120.163 120.200 -0.104 0.000 2.112 104 E HA -0.068 4.260 4.350 -0.036 0.000 0.190 104 E C 1.488 178.028 176.600 -0.100 0.000 0.979 104 E CA 0.635 56.941 56.400 -0.158 0.000 0.814 104 E CB -0.098 29.416 29.700 -0.311 0.000 0.762 104 E HN 0.242 nan 8.360 nan 0.000 0.460 105 F N 1.879 121.823 119.950 -0.009 0.000 2.161 105 F HA -0.167 4.338 4.527 -0.036 0.000 0.300 105 F C 2.045 177.852 175.800 0.013 0.000 1.089 105 F CA 1.217 59.215 58.000 -0.002 0.000 1.282 105 F CB -0.398 38.609 39.000 0.011 0.000 1.010 105 F HN 0.031 nan 8.300 nan 0.000 0.485 106 E N -0.546 119.777 120.200 0.206 0.000 2.106 106 E HA -0.157 4.171 4.350 -0.036 0.000 0.192 106 E C 2.376 179.019 176.600 0.071 0.000 0.984 106 E CA 1.161 57.638 56.400 0.127 0.000 0.806 106 E CB -0.538 29.231 29.700 0.114 0.000 0.750 106 E HN 0.243 nan 8.360 nan 0.000 0.458 107 V N 0.955 120.896 119.914 0.046 0.000 2.594 107 V HA -0.203 3.895 4.120 -0.036 0.000 0.253 107 V C 2.087 178.171 176.094 -0.016 0.000 1.069 107 V CA 1.131 63.438 62.300 0.011 0.000 1.082 107 V CB -0.041 31.780 31.823 -0.003 0.000 0.680 107 V HN 0.097 nan 8.190 nan 0.000 0.469 108 V N 0.207 120.116 119.914 -0.008 0.000 2.255 108 V HA -0.315 3.783 4.120 -0.036 0.000 0.247 108 V C 2.429 178.452 176.094 -0.118 0.000 1.051 108 V CA 2.657 64.922 62.300 -0.058 0.000 1.018 108 V CB -0.763 31.055 31.823 -0.007 0.000 0.641 108 V HN 0.751 nan 8.190 nan 0.000 0.445 109 E N -0.274 119.892 120.200 -0.057 0.000 2.077 109 E HA -0.270 4.059 4.350 -0.036 0.000 0.193 109 E C 2.272 178.834 176.600 -0.064 0.000 0.989 109 E CA 1.486 57.848 56.400 -0.064 0.000 0.800 109 E CB -0.104 29.608 29.700 0.020 0.000 0.746 109 E HN 0.702 nan 8.360 nan 0.000 0.452 110 Q N 0.203 119.985 119.800 -0.030 0.000 2.084 110 Q HA -0.152 4.166 4.340 -0.036 0.000 0.202 110 Q C 2.469 178.443 176.000 -0.044 0.000 0.978 110 Q CA 1.392 57.184 55.803 -0.017 0.000 0.844 110 Q CB -0.083 28.657 28.738 0.003 0.000 0.898 110 Q HN 0.373 nan 8.270 nan 0.000 0.426 111 L N 0.322 121.501 121.223 -0.074 0.000 2.056 111 L HA -0.186 4.132 4.340 -0.036 0.000 0.207 111 L C 2.311 179.098 176.870 -0.138 0.000 1.078 111 L CA 0.888 55.675 54.840 -0.089 0.000 0.749 111 L CB -0.369 41.634 42.059 -0.093 0.000 0.901 111 L HN 0.262 nan 8.230 nan 0.000 0.433 112 L N -0.328 120.731 121.223 -0.273 0.000 2.131 112 L HA -0.174 4.144 4.340 -0.036 0.000 0.210 112 L C 2.777 179.532 176.870 -0.192 0.000 1.092 112 L CA 0.918 55.465 54.840 -0.488 0.000 0.759 112 L CB -0.717 40.603 42.059 -1.233 0.000 0.903 112 L HN 0.242 nan 8.230 nan 0.000 0.435 113 A N -0.168 122.618 122.820 -0.058 0.000 2.131 113 A HA -0.177 4.121 4.320 -0.036 0.000 0.220 113 A C 2.115 179.755 177.584 0.093 0.000 1.158 113 A CA 2.048 54.144 52.037 0.097 0.000 0.665 113 A CB -0.686 18.354 19.000 0.067 0.000 0.795 113 A HN 0.534 nan 8.150 nan 0.000 0.460 114 T N -3.756 110.825 114.554 0.045 0.000 3.044 114 T HA 0.160 4.488 4.350 -0.036 0.000 0.260 114 T C 0.140 174.869 174.700 0.047 0.000 1.019 114 T CA 0.054 62.180 62.100 0.044 0.000 0.921 114 T CB -0.060 68.820 68.868 0.020 0.000 1.053 114 T HN 0.332 nan 8.240 nan 0.000 0.533 115 D N 1.678 122.116 120.400 0.064 0.000 2.295 115 D HA 0.125 4.743 4.640 -0.036 0.000 0.248 115 D C 0.691 177.062 176.300 0.118 0.000 1.154 115 D CA -0.086 53.956 54.000 0.071 0.000 0.857 115 D CB 1.391 42.221 40.800 0.050 0.000 1.117 115 D HN 0.308 nan 8.370 nan 0.000 0.468 116 E N 2.898 123.142 120.200 0.074 0.000 2.085 116 E HA -0.217 4.111 4.350 -0.036 0.000 0.194 116 E C 1.851 178.494 176.600 0.072 0.000 0.994 116 E CA 1.095 57.533 56.400 0.063 0.000 0.801 116 E CB 0.280 30.000 29.700 0.034 0.000 0.743 116 E HN 0.474 nan 8.360 nan 0.000 0.453 117 R N 0.136 120.685 120.500 0.082 0.000 2.073 117 R HA -0.126 4.192 4.340 -0.036 0.000 0.234 117 R C 2.234 178.610 176.300 0.126 0.000 1.134 117 R CA 1.428 57.575 56.100 0.078 0.000 0.952 117 R CB -0.371 29.970 30.300 0.068 0.000 0.850 117 R HN 0.407 nan 8.270 nan 0.000 0.433 118 W N 1.545 122.827 121.300 -0.030 0.000 2.355 118 W HA -0.163 4.492 4.660 -0.008 0.000 0.309 118 W C 1.496 178.005 176.519 -0.017 0.000 1.206 118 W CA 1.306 58.636 57.345 -0.025 0.000 1.284 118 W CB -0.170 29.278 29.460 -0.019 0.000 1.145 118 W HN 0.092 nan 8.180 nan 0.000 0.502 119 L N 0.804 122.115 121.223 0.146 0.000 2.083 119 L HA -0.251 4.068 4.340 -0.036 0.000 0.209 119 L C 2.554 179.393 176.870 -0.050 0.000 1.083 119 L CA 1.511 56.369 54.840 0.030 0.000 0.752 119 L CB -0.767 41.337 42.059 0.074 0.000 0.899 119 L HN -0.108 nan 8.230 nan 0.000 0.433 120 K N -0.073 120.308 120.400 -0.031 0.000 2.097 120 K HA -0.097 4.202 4.320 -0.036 0.000 0.205 120 K C 2.250 178.792 176.600 -0.095 0.000 1.050 120 K CA 1.212 57.470 56.287 -0.048 0.000 0.938 120 K CB -0.199 32.287 32.500 -0.024 0.000 0.718 120 K HN 0.274 nan 8.250 nan 0.000 0.442 121 A N 1.369 124.102 122.820 -0.145 0.000 1.930 121 A HA -0.101 4.197 4.320 -0.036 0.000 0.217 121 A C 2.077 179.507 177.584 -0.256 0.000 1.175 121 A CA 1.150 53.064 52.037 -0.204 0.000 0.627 121 A CB -0.504 18.329 19.000 -0.279 0.000 0.815 121 A HN 0.135 nan 8.150 nan 0.000 0.443 122 L N -0.992 120.036 121.223 -0.326 0.000 2.072 122 L HA -0.118 4.200 4.340 -0.036 0.000 0.205 122 L C 3.090 179.867 176.870 -0.155 0.000 1.079 122 L CA 0.905 55.575 54.840 -0.282 0.000 0.752 122 L CB -0.611 41.263 42.059 -0.307 0.000 0.906 122 L HN 0.426 nan 8.230 nan 0.000 0.436 123 A N 0.390 123.140 122.820 -0.117 0.000 1.902 123 A HA -0.186 4.112 4.320 -0.036 0.000 0.217 123 A C 2.523 180.066 177.584 -0.068 0.000 1.181 123 A CA 1.757 53.750 52.037 -0.073 0.000 0.623 123 A CB -0.672 18.297 19.000 -0.052 0.000 0.818 123 A HN 0.393 nan 8.150 nan 0.000 0.443 124 A N -0.420 122.354 122.820 -0.077 0.000 2.019 124 A HA -0.130 4.168 4.320 -0.036 0.000 0.219 124 A C 2.117 179.662 177.584 -0.065 0.000 1.164 124 A CA 1.446 53.444 52.037 -0.065 0.000 0.644 124 A CB -0.347 18.613 19.000 -0.067 0.000 0.805 124 A HN 0.557 nan 8.150 nan 0.000 0.449 125 R N -0.670 119.781 120.500 -0.082 0.000 2.334 125 R HA 0.090 4.409 4.340 -0.036 0.000 0.216 125 R C -0.324 175.937 176.300 -0.064 0.000 0.905 125 R CA 0.183 56.239 56.100 -0.074 0.000 1.064 125 R CB 0.082 30.325 30.300 -0.096 0.000 1.046 125 R HN 0.474 nan 8.270 nan 0.000 0.508 126 N N 1.036 119.700 118.700 -0.061 0.000 2.740 126 N HA -0.182 4.537 4.740 -0.036 0.000 0.248 126 N C -1.075 174.405 175.510 -0.051 0.000 1.062 126 N CA 0.975 53.996 53.050 -0.048 0.000 0.704 126 N CB -1.295 37.170 38.487 -0.037 0.000 0.968 126 N HN 0.279 nan 8.380 nan 0.000 0.547 127 L N 0.140 121.323 121.223 -0.066 0.000 2.313 127 L HA 0.329 4.647 4.340 -0.036 0.000 0.283 127 L C 0.654 177.495 176.870 -0.047 0.000 1.013 127 L CA -0.826 53.976 54.840 -0.064 0.000 0.816 127 L CB 1.631 43.635 42.059 -0.092 0.000 1.236 127 L HN -0.066 nan 8.230 nan 0.000 0.419 128 D N 2.264 122.649 120.400 -0.025 0.000 2.371 128 D HA -0.017 4.601 4.640 -0.036 0.000 0.256 128 D C 0.864 177.169 176.300 0.009 0.000 1.193 128 D CA 0.176 54.172 54.000 -0.006 0.000 0.881 128 D CB 1.981 42.783 40.800 0.003 0.000 1.143 128 D HN 0.327 nan 8.370 nan 0.000 0.473 129 V N 4.116 124.045 119.914 0.025 0.000 2.568 129 V HA -0.257 3.842 4.120 -0.036 0.000 0.253 129 V C 2.111 178.251 176.094 0.078 0.000 1.072 129 V CA 2.773 65.115 62.300 0.069 0.000 1.084 129 V CB -0.395 31.488 31.823 0.100 0.000 0.676 129 V HN 0.712 nan 8.190 nan 0.000 0.469 130 S N -1.154 114.578 115.700 0.053 0.000 2.515 130 S HA -0.073 4.375 4.470 -0.036 0.000 0.231 130 S C 1.661 176.286 174.600 0.042 0.000 0.987 130 S CA 0.980 59.209 58.200 0.048 0.000 0.936 130 S CB -0.318 62.905 63.200 0.038 0.000 0.766 130 S HN 0.741 nan 8.310 nan 0.000 0.528 131 K N 0.643 121.064 120.400 0.036 0.000 2.358 131 K HA 0.311 4.609 4.320 -0.036 0.000 0.200 131 K C -0.761 175.856 176.600 0.029 0.000 1.030 131 K CA -0.069 56.232 56.287 0.024 0.000 1.097 131 K CB 1.058 33.565 32.500 0.012 0.000 0.862 131 K HN 0.196 nan 8.250 nan 0.000 0.534 132 V N 3.357 123.306 119.914 0.059 0.000 2.348 132 V HA 0.212 4.310 4.120 -0.036 0.000 0.270 132 V C 0.126 176.293 176.094 0.122 0.000 1.037 132 V CA -0.755 61.598 62.300 0.090 0.000 0.872 132 V CB 0.772 32.667 31.823 0.120 0.000 1.002 132 V HN 0.155 nan 8.190 nan 0.000 0.464 133 R N 3.348 123.902 120.500 0.091 0.000 2.459 133 R HA 0.591 4.910 4.340 -0.036 0.000 0.281 133 R C -0.795 175.604 176.300 0.166 0.000 1.050 133 R CA -0.511 55.632 56.100 0.071 0.000 1.055 133 R CB 1.835 32.104 30.300 -0.052 0.000 1.045 133 R HN 0.444 nan 8.270 nan 0.000 0.495 134 V N 2.129 122.136 119.914 0.155 0.000 2.378 134 V HA 0.357 4.455 4.120 -0.036 0.000 0.288 134 V C 0.123 176.343 176.094 0.209 0.000 1.016 134 V CA -1.146 61.285 62.300 0.219 0.000 0.840 134 V CB 1.567 33.465 31.823 0.124 0.000 0.994 134 V HN 0.841 nan 8.190 nan 0.000 0.431 135 A N 8.264 131.288 122.820 0.341 0.000 2.396 135 A HA 0.599 4.898 4.320 -0.036 0.000 0.279 135 A C -2.185 175.595 177.584 0.327 0.000 1.165 135 A CA -1.156 51.089 52.037 0.346 0.000 0.824 135 A CB -0.014 19.348 19.000 0.602 0.000 1.100 135 A HN 0.587 nan 8.150 nan 0.000 0.516 136 P HA 0.422 nan 4.420 nan 0.000 0.293 136 P C -0.898 176.593 177.300 0.319 0.000 1.313 136 P CA 0.059 63.328 63.100 0.283 0.000 0.787 136 P CB 0.959 32.896 31.700 0.395 0.000 0.910 137 L N 2.181 123.618 121.223 0.357 0.000 2.333 137 L HA 0.449 4.767 4.340 -0.036 0.000 0.269 137 L C 1.129 178.229 176.870 0.384 0.000 1.010 137 L CA -0.996 54.104 54.840 0.433 0.000 0.818 137 L CB 1.946 44.320 42.059 0.526 0.000 1.306 137 L HN 0.355 nan 8.230 nan 0.000 0.430 138 S N 0.419 116.402 115.700 0.472 0.000 2.589 138 S HA 0.188 4.636 4.470 -0.036 0.000 0.265 138 S C 1.231 175.994 174.600 0.273 0.000 1.342 138 S CA -0.041 58.365 58.200 0.344 0.000 1.005 138 S CB 1.239 64.724 63.200 0.475 0.000 0.909 138 S HN 0.746 nan 8.310 nan 0.000 0.555 139 A N 1.594 124.499 122.820 0.142 0.000 2.042 139 A HA 0.154 4.452 4.320 -0.036 0.000 0.222 139 A C 2.254 179.964 177.584 0.211 0.000 1.167 139 A CA 2.092 54.152 52.037 0.038 0.000 0.649 139 A CB -1.926 17.087 19.000 0.021 0.000 0.809 139 A HN 2.316 nan 8.150 nan 0.000 0.457 140 G N -2.145 106.882 108.800 0.378 0.000 2.562 140 G HA2 -0.288 3.651 3.960 -0.036 0.000 0.241 140 G HA3 -0.288 3.651 3.960 -0.036 0.000 0.241 140 G C 0.769 175.889 174.900 0.367 0.000 1.120 140 G CA 1.440 46.822 45.100 0.471 0.000 0.673 140 G HN 2.071 nan 8.290 nan 0.000 0.519 141 V N -3.739 116.347 119.914 0.288 0.000 3.165 141 V HA 0.900 4.998 4.120 -0.036 0.000 0.309 141 V C -0.859 175.354 176.094 0.199 0.000 1.267 141 V CA -0.894 61.543 62.300 0.227 0.000 1.067 141 V CB 2.103 34.032 31.823 0.176 0.000 1.082 141 V HN 1.213 nan 8.190 nan 0.000 0.451 142 F N 1.639 121.599 119.950 0.016 0.000 2.553 142 F HA 0.764 5.269 4.527 -0.036 0.000 0.335 142 F C 0.229 175.992 175.800 -0.062 0.000 1.148 142 F CA 0.400 58.386 58.000 -0.023 0.000 0.963 142 F CB 1.575 40.552 39.000 -0.037 0.000 1.217 142 F HN 0.978 nan 8.300 nan 0.000 0.441 143 E N 2.710 122.595 120.200 -0.525 0.000 3.072 143 E HA 0.042 4.370 4.350 -0.036 0.000 0.281 143 E C -0.819 175.530 176.600 -0.418 0.000 1.161 143 E CA -0.402 55.746 56.400 -0.419 0.000 2.012 143 E CB 0.132 29.624 29.700 -0.348 0.000 2.263 143 E HN 0.245 nan 8.360 nan 0.000 1.016 144 Y N 2.410 122.556 120.300 -0.257 0.000 3.032 144 Y HA 0.023 4.551 4.550 -0.036 0.000 0.344 144 Y C 1.639 177.399 175.900 -0.233 0.000 1.273 144 Y CA 0.868 58.852 58.100 -0.193 0.000 1.588 144 Y CB 0.319 38.680 38.460 -0.165 0.000 1.209 144 Y HN 0.464 nan 8.280 nan 0.000 0.597 145 A N 3.559 126.393 122.820 0.024 0.000 1.855 145 A HA -0.177 4.122 4.320 -0.036 0.000 0.215 145 A C 2.068 179.631 177.584 -0.036 0.000 1.191 145 A CA 1.464 53.481 52.037 -0.033 0.000 0.613 145 A CB -0.470 18.529 19.000 -0.002 0.000 0.829 145 A HN 0.817 nan 8.150 nan 0.000 0.442 146 E N 0.836 121.029 120.200 -0.012 0.000 2.401 146 E HA -0.203 4.126 4.350 -0.036 0.000 0.199 146 E C 1.170 177.742 176.600 -0.048 0.000 1.023 146 E CA 1.402 57.784 56.400 -0.029 0.000 0.859 146 E CB -0.525 29.157 29.700 -0.030 0.000 0.780 146 E HN 0.775 nan 8.360 nan 0.000 0.523 147 E N 0.712 120.875 120.200 -0.062 0.000 2.371 147 E HA 0.039 4.368 4.350 -0.036 0.000 0.194 147 E C 0.248 176.796 176.600 -0.088 0.000 1.012 147 E CA -0.193 56.156 56.400 -0.085 0.000 0.860 147 E CB 0.092 29.733 29.700 -0.099 0.000 0.811 147 E HN 0.194 nan 8.360 nan 0.000 0.502 148 R N 0.297 120.737 120.500 -0.099 0.000 2.502 148 R HA 0.061 4.379 4.340 -0.036 0.000 0.292 148 R C 1.026 177.318 176.300 -0.013 0.000 0.998 148 R CA 0.765 56.834 56.100 -0.052 0.000 1.056 148 R CB 0.248 30.528 30.300 -0.035 0.000 0.939 148 R HN 0.294 nan 8.270 nan 0.000 0.411 149 G N 2.416 111.224 108.800 0.013 0.000 2.304 149 G HA2 -0.292 3.646 3.960 -0.036 0.000 0.252 149 G HA3 -0.292 3.646 3.960 -0.036 0.000 0.252 149 G C 0.124 175.018 174.900 -0.009 0.000 1.014 149 G CA -0.166 44.935 45.100 0.002 0.000 0.619 149 G HN 0.466 nan 8.290 nan 0.000 0.525 150 R N 0.717 121.206 120.500 -0.019 0.000 2.308 150 R HA 0.398 4.716 4.340 -0.036 0.000 0.305 150 R C 0.490 176.773 176.300 -0.027 0.000 1.053 150 R CA -0.707 55.377 56.100 -0.026 0.000 0.957 150 R CB 0.881 31.157 30.300 -0.040 0.000 1.022 150 R HN 0.421 nan 8.270 nan 0.000 0.461 151 R N 4.075 124.561 120.500 -0.023 0.000 2.248 151 R HA 0.198 4.517 4.340 -0.036 0.000 0.337 151 R C -0.275 175.991 176.300 -0.055 0.000 1.085 151 R CA -0.166 55.913 56.100 -0.034 0.000 0.934 151 R CB 0.226 30.514 30.300 -0.021 0.000 1.034 151 R HN 0.380 nan 8.270 nan 0.000 0.465 152 I N 5.444 125.974 120.570 -0.066 0.000 2.648 152 I HA 0.439 4.588 4.170 -0.036 0.000 0.304 152 I C -0.020 176.045 176.117 -0.087 0.000 1.009 152 I CA -0.958 60.290 61.300 -0.087 0.000 1.114 152 I CB 1.730 39.655 38.000 -0.126 0.000 1.293 152 I HN 0.608 nan 8.210 nan 0.000 0.449 153 L N 4.024 125.195 121.223 -0.087 0.000 2.434 153 L HA 0.532 4.850 4.340 -0.036 0.000 0.260 153 L C -0.416 176.411 176.870 -0.072 0.000 0.983 153 L CA -0.780 54.031 54.840 -0.049 0.000 0.820 153 L CB 2.985 45.032 42.059 -0.019 0.000 1.361 153 L HN 0.541 nan 8.230 nan 0.000 0.410 154 R N 0.152 120.607 120.500 -0.074 0.000 2.787 154 R HA 0.769 5.087 4.340 -0.036 0.000 0.271 154 R C -0.362 175.974 176.300 0.060 0.000 0.993 154 R CA -0.744 55.288 56.100 -0.113 0.000 0.993 154 R CB 2.093 32.041 30.300 -0.586 0.000 1.155 154 R HN 0.742 nan 8.270 nan 0.000 0.486 155 G N 1.590 110.445 108.800 0.093 0.000 2.590 155 G HA2 0.596 4.535 3.960 -0.036 0.000 0.310 155 G HA3 0.596 4.535 3.960 -0.036 0.000 0.310 155 G C -1.185 173.904 174.900 0.316 0.000 1.347 155 G CA -0.555 44.641 45.100 0.160 0.000 0.963 155 G HN 0.266 nan 8.290 nan 0.000 0.494 156 L N 1.565 123.041 121.223 0.422 0.000 2.362 156 L HA 0.714 5.033 4.340 -0.036 0.000 0.275 156 L C 0.508 177.569 176.870 0.318 0.000 0.998 156 L CA -0.998 54.090 54.840 0.413 0.000 0.820 156 L CB 2.198 44.593 42.059 0.560 0.000 1.270 156 L HN 0.645 nan 8.230 nan 0.000 0.415 157 A N 3.092 125.982 122.820 0.117 0.000 2.304 157 A HA 0.845 5.143 4.320 -0.036 0.000 0.301 157 A C -1.146 176.158 177.584 -0.466 0.000 1.132 157 A CA -0.129 51.932 52.037 0.040 0.000 0.819 157 A CB 0.429 19.492 19.000 0.104 0.000 1.094 157 A HN 0.513 nan 8.150 nan 0.000 0.492 158 F N 0.655 120.590 119.950 -0.024 0.000 2.581 158 F HA 0.437 4.944 4.527 -0.032 0.000 0.311 158 F C -0.193 175.560 175.800 -0.077 0.000 1.113 158 F CA -0.696 57.239 58.000 -0.108 0.000 0.935 158 F CB 2.342 41.152 39.000 -0.317 0.000 1.232 158 F HN 0.313 nan 8.300 nan 0.000 0.445 159 V N 2.616 122.611 119.914 0.135 0.000 2.432 159 V HA 0.321 4.419 4.120 -0.036 0.000 0.275 159 V C -0.353 175.805 176.094 0.106 0.000 1.043 159 V CA -0.567 61.781 62.300 0.080 0.000 0.925 159 V CB 1.357 33.188 31.823 0.014 0.000 0.985 159 V HN 0.765 nan 8.190 nan 0.000 0.466 160 Q N 3.014 122.821 119.800 0.011 0.000 2.394 160 Q HA 0.239 4.557 4.340 -0.036 0.000 0.259 160 Q C 0.056 176.016 176.000 -0.066 0.000 1.021 160 Q CA -0.636 55.133 55.803 -0.057 0.000 0.805 160 Q CB 1.261 29.930 28.738 -0.116 0.000 1.226 160 Q HN 0.768 nan 8.270 nan 0.000 0.476 161 D N 3.529 123.883 120.400 -0.077 0.000 2.178 161 D HA -0.034 4.584 4.640 -0.036 0.000 0.201 161 D C 0.192 176.600 176.300 0.181 0.000 0.980 161 D CA 1.317 55.344 54.000 0.046 0.000 0.842 161 D CB 0.112 41.015 40.800 0.172 0.000 0.948 161 D HN 0.448 nan 8.370 nan 0.000 0.472 162 F N -4.054 115.898 119.950 0.004 0.000 2.685 162 F HA 0.423 4.924 4.527 -0.044 0.000 0.315 162 F C -2.377 173.418 175.800 -0.008 0.000 1.126 162 F CA -2.325 55.671 58.000 -0.007 0.000 0.950 162 F CB 0.484 39.474 39.000 -0.017 0.000 1.360 162 F HN -0.413 nan 8.300 nan 0.000 0.469 163 P HA -0.172 nan 4.420 nan 0.000 0.218 163 P C 0.334 177.622 177.300 -0.019 0.000 1.154 163 P CA 2.182 65.316 63.100 0.055 0.000 0.872 163 P CB 0.139 31.899 31.700 0.101 0.000 0.790 164 E N -1.529 118.702 120.200 0.053 0.000 2.463 164 E HA 0.073 4.401 4.350 -0.036 0.000 0.193 164 E C 0.020 176.434 176.600 -0.310 0.000 1.041 164 E CA -0.028 56.356 56.400 -0.026 0.000 0.879 164 E CB -0.698 29.090 29.700 0.148 0.000 0.997 164 E HN 0.304 nan 8.360 nan 0.000 0.478 165 D N 0.023 119.929 120.400 -0.823 0.000 2.345 165 D HA 0.051 4.669 4.640 -0.036 0.000 0.247 165 D C -0.480 175.573 176.300 -0.413 0.000 1.108 165 D CA -0.039 53.391 54.000 -0.949 0.000 0.894 165 D CB 0.896 40.878 40.800 -1.362 0.000 1.203 165 D HN -0.130 nan 8.370 nan 0.000 0.430 166 S N 2.438 117.973 115.700 -0.276 0.000 2.485 166 S HA 0.405 4.853 4.470 -0.036 0.000 0.312 166 S C 1.105 175.606 174.600 -0.165 0.000 1.102 166 S CA -0.234 57.881 58.200 -0.141 0.000 1.066 166 S CB 0.131 63.297 63.200 -0.056 0.000 1.102 166 S HN 0.514 nan 8.310 nan 0.000 0.519 167 A N 4.886 127.514 122.820 -0.320 0.000 2.024 167 A HA -0.068 4.230 4.320 -0.036 0.000 0.220 167 A C 1.443 178.863 177.584 -0.274 0.000 1.164 167 A CA 1.106 52.960 52.037 -0.305 0.000 0.643 167 A CB -0.782 17.951 19.000 -0.445 0.000 0.806 167 A HN 0.992 nan 8.150 nan 0.000 0.451 168 W N -0.223 121.028 121.300 -0.082 0.000 2.387 168 W HA -0.019 4.624 4.660 -0.028 0.000 0.272 168 W C 2.381 179.007 176.519 0.179 0.000 1.224 168 W CA 0.772 58.071 57.345 -0.076 0.000 1.210 168 W CB -0.157 29.255 29.460 -0.079 0.000 1.125 168 W HN 0.378 nan 8.180 nan 0.000 0.572 169 A N -0.635 122.340 122.820 0.258 0.000 2.167 169 A HA -0.051 4.247 4.320 -0.036 0.000 0.214 169 A C 0.202 177.666 177.584 -0.200 0.000 1.151 169 A CA 0.747 52.858 52.037 0.122 0.000 0.735 169 A CB -0.825 18.165 19.000 -0.018 0.000 0.802 169 A HN 0.487 nan 8.150 nan 0.000 0.467 170 H N -0.045 119.158 119.070 0.222 0.000 2.355 170 H HA 0.251 4.799 4.556 -0.013 0.000 0.232 170 H C -2.767 172.601 175.328 0.067 0.000 1.422 170 H CA -2.076 54.044 56.048 0.120 0.000 1.261 170 H CB 0.467 30.275 29.762 0.077 0.000 1.595 170 H HN 0.295 nan 8.280 nan 0.000 0.529 171 P HA -0.012 nan 4.420 nan 0.000 0.271 171 P C 0.022 177.166 177.300 -0.259 0.000 1.218 171 P CA -0.205 62.713 63.100 -0.302 0.000 0.780 171 P CB 2.127 33.694 31.700 -0.222 0.000 0.901 172 V N 3.549 123.231 119.914 -0.387 0.000 2.240 172 V HA 0.138 4.236 4.120 -0.036 0.000 0.265 172 V C 0.722 176.675 176.094 -0.235 0.000 1.073 172 V CA -0.287 61.873 62.300 -0.233 0.000 0.857 172 V CB 0.163 31.852 31.823 -0.225 0.000 1.114 172 V HN 0.540 nan 8.190 nan 0.000 0.469 173 D N 3.007 123.271 120.400 -0.226 0.000 2.371 173 D HA 0.349 4.968 4.640 -0.036 0.000 0.242 173 D C 1.360 177.534 176.300 -0.211 0.000 1.218 173 D CA 1.396 55.177 54.000 -0.365 0.000 0.945 173 D CB 1.622 41.952 40.800 -0.784 0.000 1.137 173 D HN 0.732 nan 8.370 nan 0.000 0.464 174 G N 0.029 108.676 108.800 -0.255 0.000 2.155 174 G HA2 -0.224 3.715 3.960 -0.036 0.000 0.257 174 G HA3 -0.224 3.715 3.960 -0.036 0.000 0.257 174 G C -0.084 174.854 174.900 0.062 0.000 0.983 174 G CA 0.726 45.878 45.100 0.088 0.000 0.676 174 G HN 0.478 nan 8.290 nan 0.000 0.528 175 L N -0.301 120.926 121.223 0.007 0.000 2.436 175 L HA 0.923 5.241 4.340 -0.036 0.000 0.268 175 L C -0.737 176.211 176.870 0.129 0.000 0.974 175 L CA -1.065 53.786 54.840 0.017 0.000 0.826 175 L CB 2.432 44.419 42.059 -0.121 0.000 1.291 175 L HN 0.659 nan 8.230 nan 0.000 0.406 176 V N 3.805 123.832 119.914 0.190 0.000 3.077 176 V HA 0.966 5.064 4.120 -0.036 0.000 0.299 176 V C -1.444 174.727 176.094 0.127 0.000 1.276 176 V CA 0.333 62.790 62.300 0.261 0.000 0.993 176 V CB 2.097 34.114 31.823 0.323 0.000 1.076 176 V HN 1.242 nan 8.190 nan 0.000 0.434 177 A N 4.780 127.665 122.820 0.108 0.000 2.454 177 A HA 0.973 5.271 4.320 -0.036 0.000 0.302 177 A C -2.065 175.512 177.584 -0.011 0.000 1.079 177 A CA -0.469 51.513 52.037 -0.093 0.000 0.731 177 A CB 1.764 20.684 19.000 -0.133 0.000 1.299 177 A HN 0.859 nan 8.150 nan 0.000 0.413 178 Y N 0.214 120.408 120.300 -0.177 0.000 2.393 178 Y HA 0.621 5.150 4.550 -0.034 0.000 0.341 178 Y C -0.129 175.660 175.900 -0.184 0.000 0.988 178 Y CA -1.647 56.319 58.100 -0.224 0.000 1.078 178 Y CB 1.784 40.077 38.460 -0.277 0.000 1.203 178 Y HN 0.374 nan 8.280 nan 0.000 0.453 179 V N 2.922 122.831 119.914 -0.008 0.000 2.709 179 V HA 0.252 4.350 4.120 -0.036 0.000 0.308 179 V C -0.695 175.366 176.094 -0.056 0.000 1.062 179 V CA -1.071 61.197 62.300 -0.054 0.000 0.901 179 V CB 2.288 34.060 31.823 -0.084 0.000 1.003 179 V HN 0.670 nan 8.190 nan 0.000 0.425 180 D N 3.184 123.553 120.400 -0.051 0.000 2.411 180 D HA 0.153 4.772 4.640 -0.036 0.000 0.225 180 D C 1.049 177.324 176.300 -0.042 0.000 1.156 180 D CA -0.203 53.770 54.000 -0.046 0.000 0.874 180 D CB 1.871 42.648 40.800 -0.039 0.000 1.034 180 D HN 0.443 nan 8.370 nan 0.000 0.502 181 V N 2.637 122.523 119.914 -0.046 0.000 2.913 181 V HA -0.150 3.949 4.120 -0.036 0.000 0.260 181 V C 1.851 177.940 176.094 -0.009 0.000 1.098 181 V CA 1.522 63.798 62.300 -0.040 0.000 1.121 181 V CB -0.888 30.892 31.823 -0.070 0.000 0.714 181 V HN 0.474 nan 8.190 nan 0.000 0.487 182 V N -0.276 119.640 119.914 0.004 0.000 2.426 182 V HA 0.016 4.115 4.120 -0.036 0.000 0.242 182 V C 2.597 178.692 176.094 0.001 0.000 1.036 182 V CA 1.681 63.995 62.300 0.023 0.000 1.044 182 V CB -0.856 30.988 31.823 0.037 0.000 0.688 182 V HN 0.627 nan 8.190 nan 0.000 0.462 183 S N -0.482 115.212 115.700 -0.010 0.000 2.522 183 S HA 0.045 4.494 4.470 -0.036 0.000 0.227 183 S C 1.056 175.646 174.600 -0.017 0.000 0.986 183 S CA 0.591 58.782 58.200 -0.014 0.000 0.929 183 S CB -0.687 62.502 63.200 -0.018 0.000 0.769 183 S HN 0.712 nan 8.310 nan 0.000 0.529 184 K N 1.022 121.410 120.400 -0.019 0.000 3.162 184 K HA -0.143 4.155 4.320 -0.036 0.000 0.268 184 K C -1.077 175.504 176.600 -0.031 0.000 1.062 184 K CA 0.887 57.159 56.287 -0.025 0.000 0.769 184 K CB -1.783 30.707 32.500 -0.016 0.000 1.274 184 K HN 0.711 nan 8.250 nan 0.000 0.478 185 E N 0.026 120.205 120.200 -0.036 0.000 2.238 185 E HA 0.363 4.692 4.350 -0.036 0.000 0.267 185 E C -0.416 176.154 176.600 -0.051 0.000 0.887 185 E CA -1.065 55.312 56.400 -0.039 0.000 0.769 185 E CB 2.302 31.982 29.700 -0.032 0.000 1.187 185 E HN -0.065 nan 8.360 nan 0.000 0.416 186 V N 2.987 122.867 119.914 -0.056 0.000 2.356 186 V HA -0.006 4.092 4.120 -0.036 0.000 0.258 186 V C 1.414 177.473 176.094 -0.058 0.000 1.065 186 V CA 0.198 62.456 62.300 -0.071 0.000 0.935 186 V CB 0.312 32.087 31.823 -0.081 0.000 1.061 186 V HN 0.945 nan 8.190 nan 0.000 0.484 187 T N 2.443 116.966 114.554 -0.052 0.000 2.995 187 T HA 0.041 4.370 4.350 -0.036 0.000 0.269 187 T C 0.792 175.443 174.700 -0.082 0.000 1.091 187 T CA 0.517 62.586 62.100 -0.053 0.000 1.128 187 T CB 0.284 69.128 68.868 -0.040 0.000 0.891 187 T HN 0.509 nan 8.240 nan 0.000 0.492 188 R N -0.785 119.641 120.500 -0.124 0.000 2.664 188 R HA 0.540 4.859 4.340 -0.036 0.000 0.260 188 R C -2.539 173.599 176.300 -0.269 0.000 1.062 188 R CA -0.547 55.424 56.100 -0.214 0.000 0.902 188 R CB 1.988 32.096 30.300 -0.319 0.000 1.258 188 R HN 0.074 nan 8.270 nan 0.000 0.465 189 V N 5.404 125.213 119.914 -0.175 0.000 2.443 189 V HA 0.497 4.595 4.120 -0.036 0.000 0.293 189 V C -0.353 175.680 176.094 -0.102 0.000 1.021 189 V CA -0.556 61.697 62.300 -0.079 0.000 0.848 189 V CB 1.684 33.552 31.823 0.076 0.000 0.998 189 V HN 0.577 nan 8.190 nan 0.000 0.424 190 I N 4.110 124.604 120.570 -0.126 0.000 2.339 190 I HA 0.464 4.612 4.170 -0.036 0.000 0.290 190 I C -0.676 175.439 176.117 -0.004 0.000 0.994 190 I CA -0.171 61.083 61.300 -0.077 0.000 1.191 190 I CB 1.667 39.606 38.000 -0.102 0.000 1.343 190 I HN 0.500 nan 8.210 nan 0.000 0.458 191 D N 4.696 125.098 120.400 0.003 0.000 2.440 191 D HA 0.154 4.773 4.640 -0.036 0.000 0.252 191 D C 0.811 177.133 176.300 0.037 0.000 1.180 191 D CA -0.308 53.700 54.000 0.014 0.000 0.894 191 D CB 1.548 42.339 40.800 -0.015 0.000 1.111 191 D HN 0.639 nan 8.370 nan 0.000 0.544 192 T N 0.311 114.912 114.554 0.080 0.000 3.107 192 T HA 0.472 4.800 4.350 -0.036 0.000 0.249 192 T C 0.894 175.652 174.700 0.096 0.000 1.096 192 T CA 0.290 62.449 62.100 0.097 0.000 1.012 192 T CB 0.245 69.197 68.868 0.140 0.000 0.977 192 T HN 0.542 nan 8.240 nan 0.000 0.527 193 G N 0.111 108.966 108.800 0.091 0.000 2.321 193 G HA2 0.301 4.240 3.960 -0.036 0.000 0.339 193 G HA3 0.301 4.240 3.960 -0.036 0.000 0.339 193 G C -1.324 173.604 174.900 0.048 0.000 1.518 193 G CA -0.747 44.359 45.100 0.010 0.000 0.994 193 G HN 0.278 nan 8.290 nan 0.000 0.668 194 V N 0.886 120.760 119.914 -0.067 0.000 2.530 194 V HA 0.636 4.734 4.120 -0.036 0.000 0.282 194 V C -0.208 175.809 176.094 -0.128 0.000 1.048 194 V CA 0.166 62.451 62.300 -0.026 0.000 0.997 194 V CB 0.704 32.492 31.823 -0.058 0.000 0.987 194 V HN 0.530 nan 8.190 nan 0.000 0.477 195 F N 4.467 124.385 119.950 -0.054 0.000 2.540 195 F HA 0.566 5.064 4.527 -0.049 0.000 0.317 195 F C -2.015 173.761 175.800 -0.040 0.000 1.104 195 F CA -2.512 55.462 58.000 -0.044 0.000 0.913 195 F CB 1.595 40.568 39.000 -0.045 0.000 1.170 195 F HN 0.335 nan 8.300 nan 0.000 0.450 196 P HA 0.125 nan 4.420 nan 0.000 0.268 196 P C -0.847 176.507 177.300 0.090 0.000 1.205 196 P CA -0.198 62.949 63.100 0.079 0.000 0.771 196 P CB 0.554 32.291 31.700 0.062 0.000 0.858 197 V N 6.213 126.159 119.914 0.054 0.000 2.455 197 V HA 0.154 4.252 4.120 -0.036 0.000 0.273 197 V C -1.862 174.289 176.094 0.094 0.000 1.045 197 V CA -1.520 60.814 62.300 0.055 0.000 0.976 197 V CB 0.396 32.232 31.823 0.023 0.000 0.993 197 V HN 0.588 nan 8.190 nan 0.000 0.475 198 P HA -0.021 nan 4.420 nan 0.000 0.259 198 P C 0.507 177.955 177.300 0.247 0.000 1.163 198 P CA 0.489 63.671 63.100 0.136 0.000 0.760 198 P CB 0.674 32.422 31.700 0.079 0.000 0.762 199 A N 4.026 126.952 122.820 0.175 0.000 1.898 199 A HA -0.066 4.232 4.320 -0.036 0.000 0.214 199 A C 0.787 178.533 177.584 0.270 0.000 1.183 199 A CA 0.750 52.895 52.037 0.180 0.000 0.622 199 A CB -0.550 18.512 19.000 0.104 0.000 0.824 199 A HN 0.575 nan 8.150 nan 0.000 0.444 200 E N 0.609 120.939 120.200 0.216 0.000 2.415 200 E HA 0.224 4.552 4.350 -0.036 0.000 0.262 200 E C -0.244 176.535 176.600 0.298 0.000 1.038 200 E CA 0.082 56.599 56.400 0.195 0.000 0.921 200 E CB 0.273 30.040 29.700 0.113 0.000 0.950 200 E HN 0.784 nan 8.360 nan 0.000 0.438 201 H N -0.774 118.473 119.070 0.295 0.000 2.508 201 H HA 0.470 5.002 4.556 -0.040 0.000 0.358 201 H C 0.490 175.926 175.328 0.181 0.000 1.212 201 H CA -0.816 55.374 56.048 0.237 0.000 1.356 201 H CB 1.027 30.934 29.762 0.242 0.000 1.525 201 H HN 0.504 nan 8.280 nan 0.000 0.578 202 G N 1.128 110.088 108.800 0.267 0.000 4.432 202 G HA2 0.054 3.992 3.960 -0.036 0.000 0.294 202 G HA3 0.054 3.992 3.960 -0.036 0.000 0.294 202 G C -0.668 174.210 174.900 -0.035 0.000 1.141 202 G CA -0.655 44.457 45.100 0.021 0.000 0.895 202 G HN 0.627 nan 8.290 nan 0.000 0.548 203 N N 1.758 120.591 118.700 0.222 0.000 2.482 203 N HA 0.103 4.821 4.740 -0.036 0.000 0.242 203 N C 0.719 176.143 175.510 -0.144 0.000 1.100 203 N CA -0.388 52.565 53.050 -0.161 0.000 0.946 203 N CB 0.617 39.014 38.487 -0.152 0.000 1.227 203 N HN 0.543 nan 8.380 nan 0.000 0.508 204 Y N -0.330 119.961 120.300 -0.015 0.000 2.680 204 Y HA 0.007 4.536 4.550 -0.035 0.000 0.303 204 Y C 1.643 177.538 175.900 -0.007 0.000 1.166 204 Y CA 0.155 58.233 58.100 -0.037 0.000 1.344 204 Y CB -0.662 37.736 38.460 -0.103 0.000 1.002 204 Y HN 0.287 nan 8.280 nan 0.000 0.537 205 T N -4.249 110.277 114.554 -0.047 0.000 3.044 205 T HA 0.072 4.400 4.350 -0.036 0.000 0.260 205 T C 0.040 174.742 174.700 0.004 0.000 1.019 205 T CA -0.294 61.816 62.100 0.017 0.000 0.921 205 T CB -0.087 68.777 68.868 -0.007 0.000 1.053 205 T HN 0.213 nan 8.240 nan 0.000 0.533 206 D N 2.628 123.029 120.400 0.002 0.000 2.325 206 D HA 0.257 4.875 4.640 -0.036 0.000 0.251 206 D C -1.717 174.614 176.300 0.053 0.000 1.196 206 D CA -2.351 51.655 54.000 0.010 0.000 0.866 206 D CB 1.984 42.771 40.800 -0.023 0.000 1.101 206 D HN -0.031 nan 8.370 nan 0.000 0.476 207 P HA -0.169 nan 4.420 nan 0.000 0.218 207 P C 1.050 178.385 177.300 0.058 0.000 1.146 207 P CA 0.952 64.076 63.100 0.040 0.000 0.813 207 P CB 0.244 31.958 31.700 0.023 0.000 0.778 208 E N -0.851 119.395 120.200 0.077 0.000 2.153 208 E HA -0.203 4.126 4.350 -0.036 0.000 0.194 208 E C 1.610 178.286 176.600 0.127 0.000 0.988 208 E CA 0.955 57.420 56.400 0.109 0.000 0.811 208 E CB -0.345 29.450 29.700 0.157 0.000 0.746 208 E HN 0.110 nan 8.360 nan 0.000 0.466 209 L N 0.201 121.516 121.223 0.154 0.000 2.316 209 L HA 0.025 4.343 4.340 -0.036 0.000 0.207 209 L C 2.481 179.399 176.870 0.079 0.000 1.070 209 L CA 1.840 56.752 54.840 0.120 0.000 0.820 209 L CB -0.322 41.841 42.059 0.174 0.000 0.992 209 L HN 0.265 nan 8.230 nan 0.000 0.466 210 T N -2.715 111.886 114.554 0.078 0.000 2.904 210 T HA 0.341 4.669 4.350 -0.036 0.000 0.267 210 T C 1.229 175.956 174.700 0.044 0.000 1.059 210 T CA 0.574 62.708 62.100 0.057 0.000 1.137 210 T CB -0.772 68.129 68.868 0.056 0.000 0.879 210 T HN 0.675 nan 8.240 nan 0.000 0.467 211 G N 1.918 110.745 108.800 0.045 0.000 2.741 211 G HA2 -0.065 3.873 3.960 -0.036 0.000 0.222 211 G HA3 -0.065 3.873 3.960 -0.036 0.000 0.222 211 G C -2.835 172.082 174.900 0.029 0.000 1.364 211 G CA -0.699 44.422 45.100 0.035 0.000 0.866 211 G HN 0.547 nan 8.290 nan 0.000 0.555 212 P HA 0.427 nan 4.420 nan 0.000 0.267 212 P C 0.094 177.405 177.300 0.018 0.000 1.205 212 P CA -0.383 62.728 63.100 0.019 0.000 0.765 212 P CB 0.454 32.163 31.700 0.016 0.000 0.828 213 L N 3.962 125.195 121.223 0.017 0.000 2.426 213 L HA 0.172 4.490 4.340 -0.036 0.000 0.271 213 L C 1.256 178.133 176.870 0.012 0.000 1.169 213 L CA 0.331 55.180 54.840 0.016 0.000 0.836 213 L CB -0.096 41.972 42.059 0.016 0.000 1.112 213 L HN 0.291 nan 8.230 nan 0.000 0.465 214 R N 0.807 121.313 120.500 0.010 0.000 2.623 214 R HA 0.192 4.510 4.340 -0.036 0.000 0.271 214 R C 0.513 176.817 176.300 0.006 0.000 1.043 214 R CA 0.594 56.698 56.100 0.007 0.000 1.083 214 R CB 0.083 30.387 30.300 0.005 0.000 0.974 214 R HN 0.791 nan 8.270 nan 0.000 0.436 215 T N -3.780 110.777 114.554 0.005 0.000 3.145 215 T HA 0.002 4.330 4.350 -0.036 0.000 0.281 215 T C 1.239 175.941 174.700 0.003 0.000 1.003 215 T CA -0.030 62.073 62.100 0.005 0.000 0.901 215 T CB 0.342 69.213 68.868 0.005 0.000 1.112 215 T HN 0.669 nan 8.240 nan 0.000 0.535 216 T N -0.596 113.960 114.554 0.003 0.000 3.067 216 T HA 0.152 4.481 4.350 -0.036 0.000 0.257 216 T C 0.736 175.436 174.700 0.000 0.000 1.105 216 T CA -0.080 62.021 62.100 0.001 0.000 1.104 216 T CB -0.324 68.544 68.868 0.001 0.000 0.925 216 T HN 0.425 nan 8.240 nan 0.000 0.498 217 Q N 2.156 121.956 119.800 0.001 0.000 2.296 217 Q HA 0.267 4.585 4.340 -0.036 0.000 0.263 217 Q C -0.376 175.624 176.000 0.000 0.000 1.026 217 Q CA -0.273 55.530 55.803 -0.000 0.000 0.912 217 Q CB 0.758 29.496 28.738 -0.000 0.000 1.198 217 Q HN 0.203 nan 8.270 nan 0.000 0.407 218 K N 3.549 123.948 120.400 -0.000 0.000 2.118 218 K HA 0.379 4.677 4.320 -0.036 0.000 0.264 218 K C -1.919 174.681 176.600 0.001 0.000 1.000 218 K CA -1.730 54.557 56.287 0.000 0.000 0.929 218 K CB 0.198 32.698 32.500 -0.000 0.000 1.021 218 K HN 0.503 nan 8.250 nan 0.000 0.463 219 P HA 0.265 nan 4.420 nan 0.000 0.272 219 P C -0.469 176.833 177.300 0.004 0.000 1.223 219 P CA -0.136 62.966 63.100 0.004 0.000 0.784 219 P CB 0.664 32.367 31.700 0.005 0.000 0.923 220 I N 1.003 121.576 120.570 0.005 0.000 2.410 220 I HA 0.138 4.286 4.170 -0.036 0.000 0.286 220 I C 0.357 176.479 176.117 0.009 0.000 1.009 220 I CA -0.581 60.723 61.300 0.007 0.000 1.111 220 I CB 1.761 39.765 38.000 0.006 0.000 1.262 220 I HN 0.289 nan 8.210 nan 0.000 0.443 221 S N 7.781 123.488 115.700 0.011 0.000 2.422 221 S HA 0.618 5.067 4.470 -0.036 0.000 0.298 221 S C -0.555 174.056 174.600 0.018 0.000 1.118 221 S CA -0.433 57.775 58.200 0.013 0.000 1.083 221 S CB 0.235 63.442 63.200 0.012 0.000 0.971 221 S HN 0.444 nan 8.310 nan 0.000 0.478 222 I N 5.341 125.923 120.570 0.020 0.000 2.382 222 I HA 0.387 4.535 4.170 -0.036 0.000 0.285 222 I C 0.195 176.330 176.117 0.029 0.000 1.007 222 I CA -0.386 60.932 61.300 0.029 0.000 1.142 222 I CB 1.817 39.838 38.000 0.034 0.000 1.289 222 I HN 0.698 nan 8.210 nan 0.000 0.453 223 T N 1.768 116.342 114.554 0.033 0.000 2.841 223 T HA 0.524 4.852 4.350 -0.036 0.000 0.296 223 T C -0.788 173.934 174.700 0.037 0.000 1.166 223 T CA -0.878 61.240 62.100 0.030 0.000 1.007 223 T CB 2.291 71.172 68.868 0.022 0.000 1.253 223 T HN 0.504 nan 8.240 nan 0.000 0.511 224 Q N 0.864 120.683 119.800 0.030 0.000 2.891 224 Q HA 0.273 4.592 4.340 -0.036 0.000 0.242 224 Q C -2.229 173.780 176.000 0.015 0.000 0.959 224 Q CA -1.863 53.958 55.803 0.029 0.000 0.707 224 Q CB 1.903 30.661 28.738 0.033 0.000 1.283 224 Q HN 0.495 nan 8.270 nan 0.000 0.480 225 P HA -0.220 nan 4.420 nan 0.000 0.217 225 P C 0.089 177.391 177.300 0.004 0.000 1.151 225 P CA 1.472 64.578 63.100 0.010 0.000 0.849 225 P CB 0.345 32.052 31.700 0.011 0.000 0.787 226 E N -1.092 119.110 120.200 0.003 0.000 2.499 226 E HA 0.372 4.700 4.350 -0.036 0.000 0.199 226 E C 0.813 177.402 176.600 -0.018 0.000 1.016 226 E CA -0.022 56.376 56.400 -0.004 0.000 0.933 226 E CB 0.102 29.802 29.700 -0.000 0.000 1.050 226 E HN 0.132 nan 8.360 nan 0.000 0.462 227 G N 2.956 111.742 108.800 -0.023 0.000 2.796 227 G HA2 -0.197 3.741 3.960 -0.036 0.000 0.571 227 G HA3 -0.197 3.741 3.960 -0.036 0.000 0.571 227 G C -2.714 172.138 174.900 -0.080 0.000 1.370 227 G CA -0.884 44.181 45.100 -0.057 0.000 0.856 227 G HN 0.033 nan 8.290 nan 0.000 0.538 228 P HA 0.382 nan 4.420 nan 0.000 0.276 228 P C 0.547 177.732 177.300 -0.191 0.000 1.252 228 P CA 0.036 62.977 63.100 -0.264 0.000 0.802 228 P CB 1.340 32.563 31.700 -0.794 0.000 1.035 229 S N -0.040 115.684 115.700 0.040 0.000 2.558 229 S HA 0.117 4.565 4.470 -0.036 0.000 0.217 229 S C 0.667 175.441 174.600 0.290 0.000 0.975 229 S CA 0.125 58.426 58.200 0.168 0.000 0.912 229 S CB -0.799 62.566 63.200 0.275 0.000 0.776 229 S HN 0.558 nan 8.310 nan 0.000 0.526 230 F N 1.759 121.908 119.950 0.333 0.000 2.440 230 F HA 0.767 5.272 4.527 -0.036 0.000 0.328 230 F C 0.091 175.985 175.800 0.157 0.000 1.070 230 F CA -1.160 57.022 58.000 0.303 0.000 1.011 230 F CB 0.434 39.589 39.000 0.258 0.000 1.226 230 F HN -0.141 nan 8.300 nan 0.000 0.491 231 T N -0.266 114.502 114.554 0.357 0.000 2.885 231 T HA 0.754 5.082 4.350 -0.036 0.000 0.285 231 T C -1.188 173.693 174.700 0.302 0.000 1.019 231 T CA -0.814 61.421 62.100 0.224 0.000 1.010 231 T CB 1.545 70.507 68.868 0.157 0.000 1.022 231 T HN 0.690 nan 8.240 nan 0.000 0.466 232 V N 3.238 123.293 119.914 0.236 0.000 2.407 232 V HA 0.663 4.761 4.120 -0.036 0.000 0.291 232 V C 0.323 176.516 176.094 0.165 0.000 1.018 232 V CA -0.650 61.778 62.300 0.213 0.000 0.842 232 V CB 1.208 33.160 31.823 0.215 0.000 0.996 232 V HN 1.299 nan 8.190 nan 0.000 0.426 233 T N 0.187 114.852 114.554 0.186 0.000 2.916 233 T HA 0.692 5.020 4.350 -0.036 0.000 0.292 233 T C 0.879 175.665 174.700 0.143 0.000 1.055 233 T CA -0.046 62.141 62.100 0.145 0.000 1.009 233 T CB 1.800 70.746 68.868 0.130 0.000 1.118 233 T HN 1.714 nan 8.240 nan 0.000 0.497 234 G N -0.172 108.684 108.800 0.093 0.000 2.203 234 G HA2 0.094 4.033 3.960 -0.036 0.000 0.263 234 G HA3 0.094 4.033 3.960 -0.036 0.000 0.263 234 G C 1.331 176.285 174.900 0.091 0.000 1.012 234 G CA 0.974 46.123 45.100 0.081 0.000 0.749 234 G HN 2.399 nan 8.290 nan 0.000 0.512 235 G N -0.107 108.747 108.800 0.091 0.000 2.396 235 G HA2 -0.284 3.654 3.960 -0.036 0.000 0.242 235 G HA3 -0.284 3.654 3.960 -0.036 0.000 0.242 235 G C 0.891 175.845 174.900 0.089 0.000 1.069 235 G CA 1.361 46.510 45.100 0.082 0.000 0.633 235 G HN 2.213 nan 8.290 nan 0.000 0.517 236 N N -0.570 118.195 118.700 0.108 0.000 2.142 236 N HA 0.093 4.811 4.740 -0.036 0.000 0.233 236 N C -0.297 175.275 175.510 0.102 0.000 1.335 236 N CA 0.119 53.224 53.050 0.090 0.000 0.837 236 N CB -0.348 38.186 38.487 0.078 0.000 1.238 236 N HN 0.562 nan 8.380 nan 0.000 0.501 237 H N 1.692 120.798 119.070 0.060 0.000 2.604 237 H HA 0.325 4.859 4.556 -0.036 0.000 0.306 237 H C -0.728 174.645 175.328 0.074 0.000 1.075 237 H CA -0.219 55.863 56.048 0.058 0.000 1.357 237 H CB 0.977 30.777 29.762 0.064 0.000 1.426 237 H HN -0.014 nan 8.280 nan 0.000 0.470 238 I N 4.633 124.985 120.570 -0.363 0.000 2.412 238 I HA 0.247 4.396 4.170 -0.036 0.000 0.296 238 I C 0.107 176.139 176.117 -0.141 0.000 0.987 238 I CA -0.537 60.672 61.300 -0.151 0.000 1.180 238 I CB 1.625 39.533 38.000 -0.153 0.000 1.340 238 I HN 0.588 nan 8.210 nan 0.000 0.455 239 E N 5.238 125.508 120.200 0.116 0.000 2.241 239 E HA 0.368 4.696 4.350 -0.036 0.000 0.263 239 E C -1.804 175.001 176.600 0.343 0.000 0.882 239 E CA -0.596 55.917 56.400 0.189 0.000 0.769 239 E CB 2.798 32.614 29.700 0.193 0.000 1.185 239 E HN 0.585 nan 8.360 nan 0.000 0.415 240 W N 3.809 125.187 121.300 0.131 0.000 3.326 240 W HA 0.147 4.786 4.660 -0.036 0.000 0.333 240 W C -0.685 175.944 176.519 0.183 0.000 1.108 240 W CA -0.378 57.069 57.345 0.170 0.000 1.245 240 W CB 0.947 30.504 29.460 0.162 0.000 1.331 240 W HN 0.351 nan 8.180 nan 0.000 0.464 241 E N 5.888 125.728 120.200 -0.599 0.000 2.149 241 E HA -0.319 4.009 4.350 -0.036 0.000 0.191 241 E C 0.569 176.866 176.600 -0.505 0.000 1.384 241 E CA 1.872 57.853 56.400 -0.698 0.000 0.698 241 E CB -0.996 27.896 29.700 -1.347 0.000 1.086 241 E HN 0.902 nan 8.360 nan 0.000 0.338 242 K N -3.643 116.493 120.400 -0.440 0.000 3.615 242 K HA -0.246 4.052 4.320 -0.036 0.000 0.269 242 K C 0.147 176.309 176.600 -0.730 0.000 1.107 242 K CA 1.779 57.637 56.287 -0.715 0.000 1.059 242 K CB -1.345 30.385 32.500 -1.284 0.000 1.317 242 K HN 0.276 nan 8.250 nan 0.000 0.494 243 W N 1.723 122.822 121.300 -0.336 0.000 2.251 243 W HA 0.427 5.066 4.660 -0.036 0.000 0.329 243 W C 0.641 177.145 176.519 -0.025 0.000 1.234 243 W CA -0.074 57.224 57.345 -0.079 0.000 1.228 243 W CB 1.421 30.983 29.460 0.170 0.000 1.135 243 W HN -0.006 nan 8.180 nan 0.000 0.576 244 S N 4.211 120.076 115.700 0.276 0.000 2.575 244 S HA 0.829 5.277 4.470 -0.036 0.000 0.278 244 S C -1.123 173.497 174.600 0.033 0.000 1.139 244 S CA -0.731 57.530 58.200 0.101 0.000 0.954 244 S CB 0.146 63.424 63.200 0.130 0.000 1.054 244 S HN 0.576 nan 8.310 nan 0.000 0.483 245 L N 1.059 122.166 121.223 -0.194 0.000 2.940 245 L HA 0.753 5.071 4.340 -0.036 0.000 0.270 245 L C -2.101 174.599 176.870 -0.284 0.000 1.030 245 L CA -1.063 53.667 54.840 -0.183 0.000 0.928 245 L CB 1.632 43.606 42.059 -0.141 0.000 1.506 245 L HN 0.399 nan 8.230 nan 0.000 0.405 246 D N 1.369 121.679 120.400 -0.150 0.000 2.502 246 D HA 0.474 5.093 4.640 -0.036 0.000 0.249 246 D C -0.843 175.440 176.300 -0.028 0.000 1.092 246 D CA -0.266 53.703 54.000 -0.052 0.000 0.839 246 D CB 3.230 44.036 40.800 0.010 0.000 1.264 246 D HN 0.362 nan 8.370 nan 0.000 0.511 247 V N 2.274 122.174 119.914 -0.022 0.000 2.334 247 V HA 0.468 4.567 4.120 -0.036 0.000 0.267 247 V C 0.957 177.090 176.094 0.065 0.000 1.040 247 V CA -0.361 61.923 62.300 -0.026 0.000 0.866 247 V CB 1.062 32.852 31.823 -0.057 0.000 1.019 247 V HN 0.591 nan 8.190 nan 0.000 0.468 248 G N 3.189 112.062 108.800 0.121 0.000 2.521 248 G HA2 0.705 4.643 3.960 -0.036 0.000 0.323 248 G HA3 0.705 4.643 3.960 -0.036 0.000 0.323 248 G C -1.524 173.462 174.900 0.143 0.000 1.211 248 G CA -0.468 44.737 45.100 0.174 0.000 0.979 248 G HN 0.474 nan 8.290 nan 0.000 0.490 249 F N -0.053 119.871 119.950 -0.044 0.000 2.588 249 F HA 0.509 5.014 4.527 -0.037 0.000 0.314 249 F C -1.472 174.274 175.800 -0.091 0.000 1.134 249 F CA -0.938 56.989 58.000 -0.120 0.000 0.961 249 F CB 2.574 41.490 39.000 -0.141 0.000 1.239 249 F HN 0.521 nan 8.300 nan 0.000 0.448 250 D N 3.799 123.766 120.400 -0.722 0.000 2.646 250 D HA 0.302 4.921 4.640 -0.036 0.000 0.245 250 D C 0.200 176.123 176.300 -0.629 0.000 1.099 250 D CA -0.555 53.188 54.000 -0.429 0.000 0.849 250 D CB 2.423 43.105 40.800 -0.197 0.000 1.448 250 D HN 0.378 nan 8.370 nan 0.000 0.489 251 V N 4.358 124.106 119.914 -0.278 0.000 2.568 251 V HA -0.139 3.959 4.120 -0.036 0.000 0.253 251 V C 2.035 178.065 176.094 -0.107 0.000 1.072 251 V CA 2.251 64.448 62.300 -0.172 0.000 1.084 251 V CB -0.378 31.396 31.823 -0.081 0.000 0.676 251 V HN 0.638 nan 8.190 nan 0.000 0.469 252 R N -0.492 120.002 120.500 -0.010 0.000 2.057 252 R HA -0.033 4.285 4.340 -0.036 0.000 0.224 252 R C 2.212 178.453 176.300 -0.098 0.000 1.136 252 R CA 1.638 57.722 56.100 -0.027 0.000 0.968 252 R CB -0.205 30.031 30.300 -0.107 0.000 0.863 252 R HN 0.583 nan 8.270 nan 0.000 0.433 253 E N -0.576 119.540 120.200 -0.140 0.000 2.318 253 E HA 0.140 4.468 4.350 -0.036 0.000 0.193 253 E C 0.711 177.132 176.600 -0.299 0.000 0.998 253 E CA 0.374 56.696 56.400 -0.130 0.000 0.859 253 E CB 0.581 30.249 29.700 -0.054 0.000 0.812 253 E HN 0.568 nan 8.360 nan 0.000 0.492 254 G N 0.783 109.184 108.800 -0.665 0.000 2.496 254 G HA2 -0.288 3.650 3.960 -0.036 0.000 0.243 254 G HA3 -0.288 3.650 3.960 -0.036 0.000 0.243 254 G C -0.146 174.118 174.900 -1.059 0.000 1.176 254 G CA -0.354 44.008 45.100 -1.229 0.000 0.940 254 G HN 0.096 nan 8.290 nan 0.000 0.573 255 V N 0.730 120.188 119.914 -0.759 0.000 2.585 255 V HA 0.431 4.529 4.120 -0.036 0.000 0.296 255 V C 0.728 176.745 176.094 -0.129 0.000 1.035 255 V CA 0.173 62.364 62.300 -0.181 0.000 1.084 255 V CB 0.999 32.895 31.823 0.122 0.000 0.953 255 V HN 0.912 nan 8.190 nan 0.000 0.483 256 V N 6.663 126.462 119.914 -0.193 0.000 2.588 256 V HA 0.450 4.548 4.120 -0.036 0.000 0.304 256 V C -0.230 175.594 176.094 -0.450 0.000 1.042 256 V CA -0.618 61.484 62.300 -0.330 0.000 0.877 256 V CB 1.914 33.559 31.823 -0.297 0.000 0.996 256 V HN 0.615 nan 8.190 nan 0.000 0.425 257 L N 5.145 125.965 121.223 -0.671 0.000 2.289 257 L HA 0.604 4.922 4.340 -0.036 0.000 0.285 257 L C -0.270 176.240 176.870 -0.600 0.000 1.049 257 L CA -0.486 53.994 54.840 -0.600 0.000 0.804 257 L CB 0.790 42.395 42.059 -0.757 0.000 1.195 257 L HN 0.612 nan 8.230 nan 0.000 0.428 258 H N 3.543 122.434 119.070 -0.299 0.000 2.569 258 H HA 0.263 4.797 4.556 -0.036 0.000 0.357 258 H C -0.149 174.969 175.328 -0.349 0.000 1.153 258 H CA -0.730 55.119 56.048 -0.332 0.000 1.193 258 H CB 1.869 31.388 29.762 -0.404 0.000 1.602 258 H HN 0.565 nan 8.280 nan 0.000 0.523 259 N N 1.414 119.979 118.700 -0.224 0.000 2.699 259 N HA -0.205 4.514 4.740 -0.036 0.000 0.256 259 N C -0.301 175.146 175.510 -0.104 0.000 0.993 259 N CA 0.523 53.453 53.050 -0.200 0.000 0.759 259 N CB -1.247 37.068 38.487 -0.286 0.000 0.906 259 N HN 0.527 nan 8.380 nan 0.000 0.541 260 I N 0.475 120.991 120.570 -0.091 0.000 2.505 260 I HA 0.235 4.383 4.170 -0.036 0.000 0.287 260 I C 1.021 177.196 176.117 0.096 0.000 1.104 260 I CA 0.154 61.466 61.300 0.019 0.000 1.387 260 I CB 0.492 38.486 38.000 -0.010 0.000 1.404 260 I HN 0.319 nan 8.210 nan 0.000 0.528 261 A N 6.988 129.925 122.820 0.195 0.000 2.527 261 A HA 0.813 5.111 4.320 -0.036 0.000 0.293 261 A C -1.545 176.179 177.584 0.234 0.000 1.117 261 A CA -0.444 51.697 52.037 0.174 0.000 0.723 261 A CB 1.667 20.727 19.000 0.100 0.000 1.313 261 A HN 0.525 nan 8.150 nan 0.000 0.411 262 F N 0.503 120.450 119.950 -0.004 0.000 2.539 262 F HA 0.640 5.145 4.527 -0.036 0.000 0.318 262 F C 0.102 175.910 175.800 0.012 0.000 1.135 262 F CA -0.612 57.316 58.000 -0.120 0.000 0.915 262 F CB 1.761 40.622 39.000 -0.232 0.000 1.176 262 F HN 0.603 nan 8.300 nan 0.000 0.440 263 R N 4.033 124.427 120.500 -0.177 0.000 2.288 263 R HA 0.199 4.517 4.340 -0.036 0.000 0.330 263 R C -1.393 174.996 176.300 0.147 0.000 1.069 263 R CA 0.214 56.294 56.100 -0.032 0.000 0.941 263 R CB -0.198 30.017 30.300 -0.143 0.000 0.998 263 R HN 0.524 nan 8.270 nan 0.000 0.452 264 D N 4.078 124.626 120.400 0.246 0.000 2.464 264 D HA 0.400 5.018 4.640 -0.036 0.000 0.243 264 D C 0.684 177.061 176.300 0.129 0.000 1.104 264 D CA 0.868 55.037 54.000 0.282 0.000 0.883 264 D CB 0.815 41.814 40.800 0.331 0.000 1.050 264 D HN 0.703 nan 8.370 nan 0.000 0.524 265 G N 4.490 113.342 108.800 0.087 0.000 2.557 265 G HA2 -0.303 3.635 3.960 -0.036 0.000 0.292 265 G HA3 -0.303 3.635 3.960 -0.036 0.000 0.292 265 G C 0.551 175.468 174.900 0.029 0.000 1.162 265 G CA 0.445 45.572 45.100 0.045 0.000 0.964 265 G HN 0.590 nan 8.290 nan 0.000 0.541 266 D N 1.497 121.911 120.400 0.023 0.000 2.388 266 D HA 0.216 4.834 4.640 -0.036 0.000 0.221 266 D C 0.808 177.119 176.300 0.018 0.000 1.133 266 D CA 0.100 54.109 54.000 0.015 0.000 0.831 266 D CB 0.196 41.001 40.800 0.009 0.000 0.962 266 D HN 0.620 nan 8.370 nan 0.000 0.502 267 R N 0.390 120.907 120.500 0.028 0.000 2.621 267 R HA 0.483 4.801 4.340 -0.036 0.000 0.292 267 R C -0.752 175.579 176.300 0.051 0.000 0.969 267 R CA -0.762 55.355 56.100 0.028 0.000 0.887 267 R CB 2.671 32.980 30.300 0.014 0.000 1.180 267 R HN 0.029 nan 8.270 nan 0.000 0.450 268 L N 4.315 125.565 121.223 0.045 0.000 2.270 268 L HA 0.382 4.700 4.340 -0.036 0.000 0.286 268 L C -0.382 176.530 176.870 0.071 0.000 1.059 268 L CA -0.429 54.448 54.840 0.062 0.000 0.839 268 L CB 0.362 42.451 42.059 0.050 0.000 1.221 268 L HN 0.475 nan 8.230 nan 0.000 0.431 269 R N 6.315 126.891 120.500 0.126 0.000 2.221 269 R HA 0.356 4.674 4.340 -0.036 0.000 0.327 269 R C -2.338 174.058 176.300 0.161 0.000 1.033 269 R CA -1.685 54.498 56.100 0.138 0.000 0.887 269 R CB 0.809 31.213 30.300 0.173 0.000 1.057 269 R HN 0.403 nan 8.270 nan 0.000 0.455 270 P HA 0.080 nan 4.420 nan 0.000 0.275 270 P C -0.132 177.151 177.300 -0.028 0.000 1.228 270 P CA 0.083 63.172 63.100 -0.018 0.000 0.786 270 P CB 1.252 32.867 31.700 -0.141 0.000 0.927 271 I N 1.089 121.586 120.570 -0.120 0.000 3.746 271 I HA 0.252 4.400 4.170 -0.036 0.000 0.262 271 I C 0.734 176.705 176.117 -0.243 0.000 1.153 271 I CA 0.201 61.329 61.300 -0.285 0.000 1.395 271 I CB 0.387 38.115 38.000 -0.453 0.000 1.589 271 I HN 0.144 nan 8.210 nan 0.000 0.441 272 I N 1.418 121.881 120.570 -0.179 0.000 2.499 272 I HA 0.168 4.316 4.170 -0.036 0.000 0.288 272 I C 0.634 176.664 176.117 -0.145 0.000 1.048 272 I CA -0.243 60.965 61.300 -0.154 0.000 1.062 272 I CB 2.179 40.092 38.000 -0.146 0.000 1.238 272 I HN 0.115 nan 8.210 nan 0.000 0.426 273 N N 5.307 123.940 118.700 -0.111 0.000 2.216 273 N HA 0.007 4.725 4.740 -0.036 0.000 0.183 273 N C 0.537 175.983 175.510 -0.106 0.000 1.017 273 N CA 0.959 53.970 53.050 -0.066 0.000 0.861 273 N CB 0.551 39.108 38.487 0.117 0.000 0.986 273 N HN 0.553 nan 8.380 nan 0.000 0.428 274 R N -0.119 120.287 120.500 -0.158 0.000 2.522 274 R HA 0.459 4.777 4.340 -0.036 0.000 0.273 274 R C -2.133 173.981 176.300 -0.310 0.000 1.133 274 R CA -0.503 55.426 56.100 -0.285 0.000 0.969 274 R CB 1.727 31.902 30.300 -0.208 0.000 1.235 274 R HN 0.038 nan 8.270 nan 0.000 0.433 275 A N 2.360 124.920 122.820 -0.434 0.000 2.356 275 A HA 0.765 5.063 4.320 -0.036 0.000 0.310 275 A C -1.028 176.299 177.584 -0.427 0.000 1.075 275 A CA -0.371 51.422 52.037 -0.406 0.000 0.746 275 A CB 1.612 20.266 19.000 -0.576 0.000 1.221 275 A HN 0.854 nan 8.150 nan 0.000 0.443 276 S N 1.167 116.797 115.700 -0.116 0.000 2.611 276 S HA 0.654 5.102 4.470 -0.036 0.000 0.268 276 S C -1.216 173.499 174.600 0.192 0.000 1.156 276 S CA -0.706 57.519 58.200 0.043 0.000 0.817 276 S CB 0.851 64.003 63.200 -0.079 0.000 1.122 276 S HN 0.573 nan 8.310 nan 0.000 0.466 277 I N 2.211 122.922 120.570 0.234 0.000 2.310 277 I HA 0.404 4.553 4.170 -0.036 0.000 0.287 277 I C 1.344 177.561 176.117 0.167 0.000 1.073 277 I CA -0.520 60.909 61.300 0.215 0.000 1.216 277 I CB 0.205 38.435 38.000 0.383 0.000 1.415 277 I HN 0.983 nan 8.210 nan 0.000 0.480 278 A N 5.045 127.936 122.820 0.118 0.000 2.167 278 A HA 0.071 4.369 4.320 -0.036 0.000 0.214 278 A C 0.758 178.396 177.584 0.090 0.000 1.151 278 A CA 0.982 53.114 52.037 0.158 0.000 0.735 278 A CB 0.045 19.160 19.000 0.192 0.000 0.802 278 A HN 0.662 nan 8.150 nan 0.000 0.467 279 E N -2.011 118.179 120.200 -0.016 0.000 2.396 279 E HA 0.518 4.846 4.350 -0.036 0.000 0.280 279 E C -1.481 175.056 176.600 -0.106 0.000 1.065 279 E CA -0.389 55.945 56.400 -0.110 0.000 0.831 279 E CB 0.823 30.289 29.700 -0.390 0.000 1.272 279 E HN 0.037 nan 8.360 nan 0.000 0.443 280 M N 3.897 123.434 119.600 -0.105 0.000 2.234 280 M HA 0.421 4.879 4.480 -0.036 0.000 0.267 280 M C -2.051 174.032 176.300 -0.361 0.000 1.022 280 M CA -0.696 54.394 55.300 -0.349 0.000 0.993 280 M CB 1.369 33.655 32.600 -0.523 0.000 1.836 280 M HN 0.473 nan 8.290 nan 0.000 0.479 281 V N 5.707 125.356 119.914 -0.440 0.000 2.628 281 V HA 0.765 4.863 4.120 -0.036 0.000 0.306 281 V C -1.275 174.366 176.094 -0.755 0.000 1.045 281 V CA -0.313 61.564 62.300 -0.705 0.000 0.905 281 V CB 2.245 33.585 31.823 -0.805 0.000 0.997 281 V HN 0.626 nan 8.190 nan 0.000 0.436 282 V N 8.574 127.928 119.914 -0.933 0.000 2.289 282 V HA 0.423 4.522 4.120 -0.036 0.000 0.272 282 V C -2.436 173.286 176.094 -0.620 0.000 1.026 282 V CA -1.286 60.503 62.300 -0.853 0.000 0.807 282 V CB 1.406 32.563 31.823 -1.111 0.000 1.044 282 V HN 0.826 nan 8.190 nan 0.000 0.443 283 P HA 0.377 nan 4.420 nan 0.000 0.290 283 P C -1.382 175.708 177.300 -0.350 0.000 1.276 283 P CA -0.437 62.473 63.100 -0.318 0.000 0.808 283 P CB 1.234 32.758 31.700 -0.293 0.000 0.966 284 Y N 0.683 120.867 120.300 -0.194 0.000 2.323 284 Y HA 0.461 4.991 4.550 -0.034 0.000 0.331 284 Y C 1.728 177.571 175.900 -0.096 0.000 1.092 284 Y CA 0.287 58.308 58.100 -0.132 0.000 1.150 284 Y CB 1.414 39.745 38.460 -0.214 0.000 1.200 284 Y HN 0.485 nan 8.280 nan 0.000 0.472 285 G N 1.433 110.256 108.800 0.039 0.000 3.707 285 G HA2 0.013 3.951 3.960 -0.036 0.000 0.286 285 G HA3 0.013 3.951 3.960 -0.036 0.000 0.286 285 G C -0.714 174.216 174.900 0.050 0.000 1.112 285 G CA -0.185 44.944 45.100 0.048 0.000 0.861 285 G HN 0.512 nan 8.290 nan 0.000 0.534 286 D N 1.067 121.485 120.400 0.031 0.000 2.317 286 D HA 0.260 4.878 4.640 -0.036 0.000 0.234 286 D C -1.075 175.206 176.300 -0.032 0.000 1.112 286 D CA -2.424 51.562 54.000 -0.024 0.000 0.840 286 D CB 2.301 43.084 40.800 -0.027 0.000 1.078 286 D HN 0.033 nan 8.370 nan 0.000 0.486 287 P HA -0.048 nan 4.420 nan 0.000 0.239 287 P C 0.407 177.709 177.300 0.003 0.000 1.184 287 P CA 0.022 63.119 63.100 -0.004 0.000 0.760 287 P CB 0.153 31.856 31.700 0.006 0.000 0.884 288 S N 1.490 117.181 115.700 -0.014 0.000 2.552 288 S HA 0.081 4.529 4.470 -0.036 0.000 0.289 288 S C -1.333 173.293 174.600 0.043 0.000 1.304 288 S CA -0.886 57.318 58.200 0.007 0.000 1.063 288 S CB 0.283 63.464 63.200 -0.033 0.000 0.848 288 S HN -0.068 nan 8.310 nan 0.000 0.499 289 P HA -0.075 nan 4.420 nan 0.000 0.221 289 P C 1.140 178.618 177.300 0.296 0.000 1.145 289 P CA 0.649 63.868 63.100 0.198 0.000 0.795 289 P CB 0.031 31.841 31.700 0.184 0.000 0.775 290 I N -1.004 119.684 120.570 0.197 0.000 2.493 290 I HA -0.102 4.046 4.170 -0.036 0.000 0.254 290 I C 1.670 177.939 176.117 0.253 0.000 1.160 290 I CA 1.534 62.991 61.300 0.262 0.000 1.445 290 I CB -0.866 37.187 38.000 0.089 0.000 1.086 290 I HN 0.049 nan 8.210 nan 0.000 0.433 291 R N -0.645 119.789 120.500 -0.110 0.000 2.539 291 R HA 0.100 4.418 4.340 -0.036 0.000 0.342 291 R C 1.872 177.726 176.300 -0.743 0.000 0.941 291 R CA 0.482 56.201 56.100 -0.636 0.000 1.146 291 R CB 0.275 30.345 30.300 -0.384 0.000 1.541 291 R HN 0.254 nan 8.270 nan 0.000 0.525 292 S N 0.801 116.292 115.700 -0.348 0.000 2.500 292 S HA -0.120 4.328 4.470 -0.036 0.000 0.239 292 S C 1.414 175.934 174.600 -0.133 0.000 0.989 292 S CA 0.502 58.604 58.200 -0.163 0.000 0.951 292 S CB -0.394 62.813 63.200 0.011 0.000 0.759 292 S HN 0.619 nan 8.310 nan 0.000 0.523 293 W N 0.498 121.847 121.300 0.082 0.000 3.114 293 W HA 0.375 5.011 4.660 -0.040 0.000 0.279 293 W C 0.568 177.136 176.519 0.082 0.000 1.277 293 W CA -0.611 56.779 57.345 0.074 0.000 1.630 293 W CB -0.685 28.823 29.460 0.081 0.000 1.087 293 W HN 0.276 nan 8.180 nan 0.000 0.637 294 Q N 3.018 122.387 119.800 -0.718 0.000 2.257 294 Q HA 0.057 4.375 4.340 -0.036 0.000 0.273 294 Q C -0.753 175.221 176.000 -0.043 0.000 1.153 294 Q CA 0.838 56.314 55.803 -0.545 0.000 0.922 294 Q CB -0.022 28.096 28.738 -1.033 0.000 1.242 294 Q HN 0.055 nan 8.270 nan 0.000 0.409 295 N N 4.153 122.941 118.700 0.147 0.000 2.537 295 N HA 0.154 4.873 4.740 -0.036 0.000 0.281 295 N C -1.843 173.787 175.510 0.200 0.000 1.097 295 N CA -0.484 52.610 53.050 0.072 0.000 0.964 295 N CB 1.449 39.968 38.487 0.054 0.000 1.588 295 N HN 0.467 nan 8.380 nan 0.000 0.511 296 Y N -0.313 119.980 120.300 -0.012 0.000 2.425 296 Y HA 0.708 5.237 4.550 -0.036 0.000 0.344 296 Y C -1.424 174.419 175.900 -0.094 0.000 0.969 296 Y CA -1.271 56.892 58.100 0.105 0.000 1.052 296 Y CB 0.743 39.225 38.460 0.037 0.000 1.215 296 Y HN 0.214 nan 8.280 nan 0.000 0.451 297 F N 3.441 123.526 119.950 0.224 0.000 2.334 297 F HA 0.590 5.095 4.527 -0.036 0.000 0.365 297 F C 1.270 177.192 175.800 0.204 0.000 1.124 297 F CA -0.356 57.707 58.000 0.104 0.000 1.166 297 F CB 1.060 40.131 39.000 0.118 0.000 1.355 297 F HN 0.939 nan 8.300 nan 0.000 0.532 298 A N 2.104 125.056 122.820 0.221 0.000 1.892 298 A HA -0.183 4.115 4.320 -0.036 0.000 0.218 298 A C 2.206 179.971 177.584 0.301 0.000 1.188 298 A CA 2.553 54.732 52.037 0.238 0.000 0.631 298 A CB -0.806 18.320 19.000 0.210 0.000 0.822 298 A HN 0.633 nan 8.150 nan 0.000 0.447 299 T N -0.670 114.008 114.554 0.207 0.000 2.698 299 T HA 0.056 4.384 4.350 -0.036 0.000 0.260 299 T C 2.037 176.791 174.700 0.090 0.000 1.044 299 T CA 1.353 63.539 62.100 0.143 0.000 1.149 299 T CB -0.773 68.139 68.868 0.073 0.000 0.864 299 T HN 0.553 nan 8.240 nan 0.000 0.419 300 G N 1.023 109.875 108.800 0.086 0.000 2.402 300 G HA2 -0.137 3.801 3.960 -0.036 0.000 0.216 300 G HA3 -0.137 3.801 3.960 -0.036 0.000 0.216 300 G C 1.463 176.409 174.900 0.076 0.000 1.162 300 G CA 0.587 45.664 45.100 -0.038 0.000 0.777 300 G HN 0.516 nan 8.290 nan 0.000 0.539 301 E N -1.065 119.320 120.200 0.309 0.000 2.166 301 E HA 0.073 4.401 4.350 -0.036 0.000 0.192 301 E C 1.964 178.826 176.600 0.436 0.000 0.967 301 E CA 0.387 57.010 56.400 0.370 0.000 0.840 301 E CB 0.062 30.092 29.700 0.550 0.000 0.795 301 E HN 0.504 nan 8.360 nan 0.000 0.470 302 Y N 0.025 120.521 120.300 0.327 0.000 2.479 302 Y HA 0.283 4.810 4.550 -0.037 0.000 0.283 302 Y C 0.262 176.395 175.900 0.388 0.000 1.109 302 Y CA -0.035 58.329 58.100 0.439 0.000 1.239 302 Y CB 0.395 39.143 38.460 0.480 0.000 1.108 302 Y HN -0.139 nan 8.280 nan 0.000 0.548 303 L N 0.657 122.132 121.223 0.420 0.000 2.492 303 L HA -0.175 4.144 4.340 -0.036 0.000 0.668 303 L C 0.968 178.003 176.870 0.275 0.000 1.022 303 L CA 0.010 54.991 54.840 0.234 0.000 1.371 303 L CB -1.555 40.594 42.059 0.151 0.000 2.041 303 L HN 0.105 nan 8.230 nan 0.000 0.953 304 V N -0.561 119.516 119.914 0.271 0.000 2.490 304 V HA -0.108 3.991 4.120 -0.036 0.000 0.250 304 V C 2.159 178.422 176.094 0.282 0.000 1.061 304 V CA 2.186 64.694 62.300 0.346 0.000 1.064 304 V CB -0.504 31.508 31.823 0.315 0.000 0.670 304 V HN 0.854 nan 8.190 nan 0.000 0.461 305 G N -0.179 108.649 108.800 0.047 0.000 2.432 305 G HA2 -0.299 3.640 3.960 -0.036 0.000 0.219 305 G HA3 -0.299 3.640 3.960 -0.036 0.000 0.219 305 G C 1.562 176.570 174.900 0.181 0.000 1.135 305 G CA 0.873 45.959 45.100 -0.022 0.000 0.767 305 G HN 0.672 nan 8.290 nan 0.000 0.550 306 Q N -0.682 119.117 119.800 -0.002 0.000 2.170 306 Q HA -0.122 4.196 4.340 -0.036 0.000 0.203 306 Q C 1.100 176.947 176.000 -0.256 0.000 0.976 306 Q CA 1.121 56.801 55.803 -0.205 0.000 0.858 306 Q CB -0.192 28.256 28.738 -0.483 0.000 0.907 306 Q HN 0.582 nan 8.270 nan 0.000 0.433 307 Y N -0.083 120.378 120.300 0.268 0.000 2.625 307 Y HA 0.466 4.996 4.550 -0.034 0.000 0.285 307 Y C 0.345 176.424 175.900 0.299 0.000 1.168 307 Y CA -0.391 57.866 58.100 0.261 0.000 1.250 307 Y CB -0.092 38.526 38.460 0.263 0.000 1.130 307 Y HN 0.110 nan 8.280 nan 0.000 0.526 308 A N 1.088 124.161 122.820 0.422 0.000 2.511 308 A HA 0.153 4.452 4.320 -0.036 0.000 0.242 308 A C 0.311 178.092 177.584 0.328 0.000 1.069 308 A CA -0.348 51.969 52.037 0.467 0.000 0.763 308 A CB 0.036 19.318 19.000 0.471 0.000 1.001 308 A HN 0.357 nan 8.150 nan 0.000 0.498 309 N N 0.951 119.850 118.700 0.331 0.000 2.463 309 N HA 0.271 4.990 4.740 -0.036 0.000 0.270 309 N C -0.423 175.182 175.510 0.157 0.000 1.205 309 N CA -0.225 52.957 53.050 0.220 0.000 0.974 309 N CB 0.874 39.477 38.487 0.193 0.000 1.197 309 N HN 0.492 nan 8.380 nan 0.000 0.504 310 S N 0.729 116.483 115.700 0.089 0.000 2.465 310 S HA 0.317 4.765 4.470 -0.036 0.000 0.279 310 S C 0.237 174.860 174.600 0.038 0.000 1.201 310 S CA -0.630 57.587 58.200 0.029 0.000 1.053 310 S CB -0.023 63.171 63.200 -0.011 0.000 0.953 310 S HN 0.228 nan 8.310 nan 0.000 0.488 311 L N 3.907 125.168 121.223 0.062 0.000 2.260 311 L HA 0.342 4.660 4.340 -0.036 0.000 0.289 311 L C 0.413 177.340 176.870 0.095 0.000 1.057 311 L CA -0.656 54.258 54.840 0.123 0.000 0.811 311 L CB 0.434 42.649 42.059 0.260 0.000 1.184 311 L HN 0.432 nan 8.230 nan 0.000 0.429 312 E N 3.287 123.529 120.200 0.069 0.000 2.290 312 E HA 0.152 4.480 4.350 -0.036 0.000 0.277 312 E C -0.293 176.385 176.600 0.130 0.000 1.035 312 E CA -0.730 55.706 56.400 0.061 0.000 0.873 312 E CB 1.775 31.491 29.700 0.026 0.000 1.029 312 E HN 0.288 nan 8.360 nan 0.000 0.419 313 L N 1.960 123.287 121.223 0.173 0.000 2.490 313 L HA 0.181 4.499 4.340 -0.036 0.000 0.274 313 L C 1.356 178.276 176.870 0.084 0.000 1.201 313 L CA 1.707 56.658 54.840 0.185 0.000 0.869 313 L CB 0.220 42.403 42.059 0.207 0.000 1.123 313 L HN 0.792 nan 8.230 nan 0.000 0.484 314 G N 2.053 110.882 108.800 0.049 0.000 2.189 314 G HA2 -0.372 3.566 3.960 -0.036 0.000 0.267 314 G HA3 -0.372 3.566 3.960 -0.036 0.000 0.267 314 G C 0.817 175.729 174.900 0.020 0.000 0.975 314 G CA 0.582 45.696 45.100 0.024 0.000 0.644 314 G HN 0.991 nan 8.290 nan 0.000 0.537 315 C N -1.657 117.660 119.300 0.027 0.000 2.726 315 C HA 0.386 4.825 4.460 -0.036 0.000 0.380 315 C C 2.047 177.044 174.990 0.012 0.000 1.691 315 C CA 1.584 60.610 59.018 0.014 0.000 2.388 315 C CB -0.326 27.420 27.740 0.010 0.000 2.227 315 C HN 0.395 nan 8.230 nan 0.000 0.647 316 D N 0.083 120.501 120.400 0.030 0.000 2.213 316 D HA 0.116 4.735 4.640 -0.036 0.000 0.205 316 D C 0.239 176.590 176.300 0.085 0.000 0.961 316 D CA 1.076 55.100 54.000 0.041 0.000 0.853 316 D CB 0.120 40.950 40.800 0.050 0.000 0.967 316 D HN 0.444 nan 8.370 nan 0.000 0.496 317 C N 1.649 120.987 119.300 0.065 0.000 2.381 317 C HA 0.496 4.934 4.460 -0.036 0.000 0.328 317 C C -0.414 174.525 174.990 -0.084 0.000 1.190 317 C CA -1.135 57.872 59.018 -0.018 0.000 1.369 317 C CB 0.897 28.616 27.740 -0.034 0.000 2.029 317 C HN 0.147 nan 8.230 nan 0.000 0.448 318 L N 4.116 125.256 121.223 -0.139 0.000 2.317 318 L HA 0.973 5.292 4.340 -0.036 0.000 0.281 318 L C 0.465 177.226 176.870 -0.183 0.000 1.024 318 L CA 1.664 56.438 54.840 -0.110 0.000 0.810 318 L CB 1.043 43.076 42.059 -0.043 0.000 1.240 318 L HN 1.108 nan 8.230 nan 0.000 0.427 319 G N 3.330 112.071 108.800 -0.097 0.000 2.384 319 G HA2 -0.130 3.809 3.960 -0.036 0.000 0.204 319 G HA3 -0.130 3.809 3.960 -0.036 0.000 0.204 319 G C -1.185 173.689 174.900 -0.043 0.000 1.237 319 G CA -0.250 44.815 45.100 -0.058 0.000 1.060 319 G HN 0.732 nan 8.290 nan 0.000 0.514 320 D N 1.447 121.852 120.400 0.008 0.000 2.422 320 D HA 0.410 5.028 4.640 -0.036 0.000 0.227 320 D C 0.291 176.610 176.300 0.033 0.000 1.190 320 D CA -0.193 53.821 54.000 0.022 0.000 0.905 320 D CB 0.035 40.858 40.800 0.038 0.000 1.034 320 D HN 0.360 nan 8.370 nan 0.000 0.507 321 I N 2.698 123.237 120.570 -0.053 0.000 2.359 321 I HA 0.195 4.343 4.170 -0.036 0.000 0.294 321 I C 0.699 176.731 176.117 -0.142 0.000 0.987 321 I CA -0.468 60.736 61.300 -0.160 0.000 1.225 321 I CB 1.439 39.162 38.000 -0.462 0.000 1.366 321 I HN 0.113 nan 8.210 nan 0.000 0.466 322 T N 6.506 121.039 114.554 -0.035 0.000 2.770 322 T HA 0.499 4.827 4.350 -0.036 0.000 0.283 322 T C -0.501 174.168 174.700 -0.052 0.000 0.988 322 T CA -0.252 61.890 62.100 0.069 0.000 0.957 322 T CB 0.454 69.524 68.868 0.337 0.000 0.930 322 T HN 0.161 nan 8.240 nan 0.000 0.443 323 Y N 2.103 122.455 120.300 0.088 0.000 2.403 323 Y HA 0.649 5.178 4.550 -0.036 0.000 0.323 323 Y C 0.242 176.158 175.900 0.028 0.000 1.226 323 Y CA -1.235 56.894 58.100 0.048 0.000 1.235 323 Y CB 1.028 39.507 38.460 0.032 0.000 1.248 323 Y HN 0.357 nan 8.280 nan 0.000 0.489 324 L N 1.385 122.725 121.223 0.196 0.000 2.385 324 L HA 0.468 4.786 4.340 -0.036 0.000 0.273 324 L C -0.715 176.161 176.870 0.009 0.000 0.990 324 L CA -0.603 54.281 54.840 0.072 0.000 0.821 324 L CB 2.020 44.092 42.059 0.021 0.000 1.279 324 L HN 0.537 nan 8.230 nan 0.000 0.412 325 S N 3.682 119.363 115.700 -0.033 0.000 2.328 325 S HA 0.322 4.771 4.470 -0.036 0.000 0.204 325 S C -2.300 172.217 174.600 -0.137 0.000 1.475 325 S CA -1.048 57.096 58.200 -0.094 0.000 1.148 325 S CB 0.594 63.756 63.200 -0.064 0.000 1.077 325 S HN 0.392 nan 8.310 nan 0.000 0.479 326 P HA 0.190 nan 4.420 nan 0.000 0.269 326 P C -0.697 176.499 177.300 -0.174 0.000 1.215 326 P CA -0.240 62.691 63.100 -0.281 0.000 0.780 326 P CB 0.733 31.986 31.700 -0.744 0.000 0.898 327 V N 3.638 123.523 119.914 -0.049 0.000 2.555 327 V HA 0.485 4.584 4.120 -0.036 0.000 0.302 327 V C 0.671 176.796 176.094 0.052 0.000 1.038 327 V CA -0.621 61.676 62.300 -0.005 0.000 0.887 327 V CB 1.375 33.204 31.823 0.010 0.000 0.991 327 V HN 0.514 nan 8.190 nan 0.000 0.434 328 I N 0.721 121.317 120.570 0.042 0.000 3.206 328 I HA 0.828 4.976 4.170 -0.036 0.000 0.313 328 I C -0.203 175.921 176.117 0.011 0.000 1.103 328 I CA -0.643 60.686 61.300 0.048 0.000 0.985 328 I CB 2.328 40.366 38.000 0.064 0.000 1.240 328 I HN 0.534 nan 8.210 nan 0.000 0.464 329 S N 1.009 116.699 115.700 -0.018 0.000 2.565 329 S HA 0.419 4.867 4.470 -0.036 0.000 0.290 329 S C -0.670 173.916 174.600 -0.023 0.000 1.150 329 S CA -0.574 57.611 58.200 -0.025 0.000 1.058 329 S CB 0.862 64.031 63.200 -0.053 0.000 1.032 329 S HN 0.813 nan 8.310 nan 0.000 0.510 330 D N 2.358 122.759 120.400 0.002 0.000 2.506 330 D HA 0.431 5.049 4.640 -0.036 0.000 0.272 330 D C 1.171 177.437 176.300 -0.057 0.000 1.214 330 D CA -0.245 53.755 54.000 0.001 0.000 1.067 330 D CB 0.204 41.045 40.800 0.068 0.000 1.117 330 D HN 0.486 nan 8.370 nan 0.000 0.578 331 A N -1.045 121.679 122.820 -0.159 0.000 2.178 331 A HA -0.039 4.260 4.320 -0.036 0.000 0.218 331 A C 1.265 178.541 177.584 -0.513 0.000 1.157 331 A CA 0.793 52.611 52.037 -0.365 0.000 0.689 331 A CB -0.927 17.751 19.000 -0.537 0.000 0.787 331 A HN 0.452 nan 8.150 nan 0.000 0.465 332 F N -1.795 118.166 119.950 0.020 0.000 2.682 332 F HA 0.406 4.911 4.527 -0.037 0.000 0.308 332 F C 1.701 177.500 175.800 -0.002 0.000 1.093 332 F CA 0.202 58.209 58.000 0.012 0.000 1.244 332 F CB 0.365 39.372 39.000 0.011 0.000 1.052 332 F HN 0.291 nan 8.300 nan 0.000 0.573 333 G N 0.591 109.451 108.800 0.101 0.000 2.175 333 G HA2 -0.283 3.655 3.960 -0.036 0.000 0.244 333 G HA3 -0.283 3.655 3.960 -0.036 0.000 0.244 333 G C -0.020 174.900 174.900 0.034 0.000 0.982 333 G CA -0.321 44.805 45.100 0.043 0.000 0.641 333 G HN 0.425 nan 8.290 nan 0.000 0.527 334 N N 1.881 120.624 118.700 0.071 0.000 2.514 334 N HA 0.503 5.221 4.740 -0.036 0.000 0.277 334 N C -2.746 172.778 175.510 0.024 0.000 1.126 334 N CA -1.335 51.743 53.050 0.047 0.000 0.978 334 N CB 1.210 39.742 38.487 0.074 0.000 1.106 334 N HN 0.083 nan 8.380 nan 0.000 0.461 335 P HA 0.127 nan 4.420 nan 0.000 0.276 335 P C -1.005 176.302 177.300 0.011 0.000 1.230 335 P CA 0.018 63.117 63.100 -0.000 0.000 0.776 335 P CB 0.686 32.380 31.700 -0.011 0.000 0.888 336 R N 2.126 122.632 120.500 0.011 0.000 2.483 336 R HA 0.236 4.554 4.340 -0.036 0.000 0.303 336 R C -0.576 175.725 176.300 0.001 0.000 0.987 336 R CA -0.580 55.528 56.100 0.013 0.000 0.881 336 R CB 1.164 31.479 30.300 0.024 0.000 1.177 336 R HN 0.462 nan 8.270 nan 0.000 0.451 337 E N 5.078 125.273 120.200 -0.008 0.000 2.313 337 E HA 0.148 4.476 4.350 -0.036 0.000 0.276 337 E C -0.611 175.966 176.600 -0.038 0.000 1.031 337 E CA -0.408 55.974 56.400 -0.029 0.000 0.857 337 E CB 0.872 30.555 29.700 -0.028 0.000 1.040 337 E HN 0.552 nan 8.360 nan 0.000 0.408 338 I N 5.471 125.994 120.570 -0.078 0.000 2.316 338 I HA 0.177 4.325 4.170 -0.036 0.000 0.286 338 I C 0.493 176.551 176.117 -0.098 0.000 1.107 338 I CA -0.618 60.633 61.300 -0.082 0.000 1.219 338 I CB 0.332 38.245 38.000 -0.145 0.000 1.455 338 I HN 0.330 nan 8.210 nan 0.000 0.498 339 R N 5.938 126.393 120.500 -0.074 0.000 2.480 339 R HA -0.053 4.265 4.340 -0.036 0.000 0.303 339 R C 0.294 176.509 176.300 -0.142 0.000 0.985 339 R CA 0.550 56.590 56.100 -0.099 0.000 1.051 339 R CB 0.012 30.260 30.300 -0.087 0.000 0.935 339 R HN 0.611 nan 8.270 nan 0.000 0.410 340 N N 2.117 120.704 118.700 -0.189 0.000 2.727 340 N HA -0.181 4.537 4.740 -0.036 0.000 0.249 340 N C 0.787 176.276 175.510 -0.034 0.000 1.048 340 N CA 1.199 54.081 53.050 -0.281 0.000 0.714 340 N CB -1.308 36.698 38.487 -0.802 0.000 0.959 340 N HN 0.839 nan 8.380 nan 0.000 0.544 341 G N -0.931 107.850 108.800 -0.030 0.000 2.572 341 G HA2 0.197 4.135 3.960 -0.036 0.000 0.216 341 G HA3 0.197 4.135 3.960 -0.036 0.000 0.216 341 G C 0.553 175.504 174.900 0.084 0.000 1.133 341 G CA 0.277 45.375 45.100 -0.003 0.000 0.791 341 G HN 0.456 nan 8.290 nan 0.000 0.538 342 I N 0.158 120.789 120.570 0.101 0.000 2.466 342 I HA 0.300 4.449 4.170 -0.036 0.000 0.289 342 I C -0.774 175.456 176.117 0.187 0.000 1.026 342 I CA -0.965 60.415 61.300 0.134 0.000 1.078 342 I CB 2.319 40.337 38.000 0.030 0.000 1.249 342 I HN -0.085 nan 8.210 nan 0.000 0.429 343 C N 8.200 127.578 119.300 0.130 0.000 2.341 343 C HA 0.767 5.205 4.460 -0.036 0.000 0.338 343 C C -0.288 174.685 174.990 -0.029 0.000 1.257 343 C CA -0.418 58.599 59.018 -0.001 0.000 1.883 343 C CB 0.334 28.092 27.740 0.030 0.000 2.334 343 C HN 0.811 nan 8.230 nan 0.000 0.524 344 M N 7.746 127.293 119.600 -0.088 0.000 2.267 344 M HA 0.513 4.971 4.480 -0.036 0.000 0.289 344 M C -0.776 175.482 176.300 -0.069 0.000 1.043 344 M CA -0.226 54.964 55.300 -0.183 0.000 0.928 344 M CB 2.038 34.444 32.600 -0.324 0.000 1.613 344 M HN 0.976 nan 8.290 nan 0.000 0.450 345 H N 1.016 119.908 119.070 -0.297 0.000 2.987 345 H HA 0.460 4.995 4.556 -0.036 0.000 0.316 345 H C -2.128 173.103 175.328 -0.163 0.000 1.380 345 H CA -0.978 55.041 56.048 -0.048 0.000 1.160 345 H CB 1.160 30.930 29.762 0.013 0.000 1.865 345 H HN 0.763 nan 8.280 nan 0.000 0.521 346 E N 1.166 121.344 120.200 -0.035 0.000 2.212 346 E HA 0.551 4.880 4.350 -0.036 0.000 0.270 346 E C -0.923 175.680 176.600 0.006 0.000 0.956 346 E CA -0.927 55.352 56.400 -0.202 0.000 0.825 346 E CB 2.669 32.403 29.700 0.057 0.000 1.167 346 E HN 0.733 nan 8.360 nan 0.000 0.400 347 E N 1.232 121.419 120.200 -0.022 0.000 2.383 347 E HA 0.258 4.586 4.350 -0.036 0.000 0.275 347 E C -1.495 175.226 176.600 0.202 0.000 0.918 347 E CA -1.064 55.416 56.400 0.134 0.000 0.764 347 E CB 1.416 31.211 29.700 0.158 0.000 1.252 347 E HN 0.510 nan 8.360 nan 0.000 0.449 348 D N 1.183 121.716 120.400 0.222 0.000 2.414 348 D HA -0.047 4.572 4.640 -0.036 0.000 0.242 348 D C -0.971 175.538 176.300 0.350 0.000 1.129 348 D CA 0.039 54.179 54.000 0.233 0.000 0.885 348 D CB 0.551 41.437 40.800 0.143 0.000 1.198 348 D HN 0.521 nan 8.370 nan 0.000 0.437 349 W N 5.945 127.290 121.300 0.075 0.000 1.380 349 W HA 0.380 5.018 4.660 -0.037 0.000 0.298 349 W C 0.257 176.813 176.519 0.061 0.000 0.837 349 W CA 0.039 57.427 57.345 0.071 0.000 2.343 349 W CB 0.102 29.648 29.460 0.144 0.000 2.070 349 W HN 0.847 nan 8.180 nan 0.000 0.500 350 G N 1.843 110.577 108.800 -0.110 0.000 2.601 350 G HA2 -0.338 3.600 3.960 -0.036 0.000 0.261 350 G HA3 -0.338 3.600 3.960 -0.036 0.000 0.261 350 G C -0.319 174.564 174.900 -0.028 0.000 1.289 350 G CA -0.189 44.827 45.100 -0.140 0.000 0.920 350 G HN 0.224 nan 8.290 nan 0.000 0.571 351 I N 0.976 121.520 120.570 -0.043 0.000 2.496 351 I HA 0.214 4.362 4.170 -0.036 0.000 0.285 351 I C 1.624 177.768 176.117 0.045 0.000 1.080 351 I CA -0.328 60.974 61.300 0.003 0.000 1.404 351 I CB 1.258 39.252 38.000 -0.010 0.000 1.403 351 I HN 0.578 nan 8.210 nan 0.000 0.539 352 L N 7.349 128.619 121.223 0.077 0.000 2.200 352 L HA 0.460 4.779 4.340 -0.036 0.000 0.200 352 L C 0.587 177.518 176.870 0.101 0.000 1.072 352 L CA 1.058 55.964 54.840 0.110 0.000 0.787 352 L CB 0.077 42.214 42.059 0.130 0.000 0.957 352 L HN 0.682 nan 8.230 nan 0.000 0.459 353 A N -0.425 122.465 122.820 0.118 0.000 2.589 353 A HA 0.660 4.959 4.320 -0.036 0.000 0.296 353 A C -1.136 176.572 177.584 0.207 0.000 1.062 353 A CA -0.595 51.540 52.037 0.162 0.000 0.686 353 A CB 1.131 20.266 19.000 0.226 0.000 1.282 353 A HN 0.071 nan 8.150 nan 0.000 0.404 354 K N 1.007 121.529 120.400 0.203 0.000 2.557 354 K HA 0.585 4.884 4.320 -0.036 0.000 0.257 354 K C -2.207 174.539 176.600 0.243 0.000 0.933 354 K CA -0.519 55.900 56.287 0.220 0.000 0.820 354 K CB 1.792 34.355 32.500 0.106 0.000 1.330 354 K HN 1.110 nan 8.250 nan 0.000 0.432 355 H N 0.267 119.412 119.070 0.125 0.000 3.129 355 H HA 0.358 4.893 4.556 -0.036 0.000 0.342 355 H C -1.969 173.387 175.328 0.047 0.000 1.092 355 H CA -0.348 55.727 56.048 0.045 0.000 1.310 355 H CB 1.881 31.639 29.762 -0.007 0.000 1.932 355 H HN 0.431 nan 8.280 nan 0.000 0.507 356 S N 4.076 119.422 115.700 -0.591 0.000 2.520 356 S HA 0.187 4.635 4.470 -0.036 0.000 0.324 356 S C -0.789 173.360 174.600 -0.753 0.000 1.069 356 S CA -0.656 57.273 58.200 -0.452 0.000 1.121 356 S CB 0.542 63.606 63.200 -0.228 0.000 0.971 356 S HN 0.650 nan 8.310 nan 0.000 0.463 357 D N 2.171 122.233 120.400 -0.564 0.000 2.274 357 D HA 0.312 4.930 4.640 -0.036 0.000 0.239 357 D C 0.942 177.147 176.300 -0.157 0.000 1.104 357 D CA -0.582 53.220 54.000 -0.330 0.000 0.840 357 D CB 0.892 41.681 40.800 -0.018 0.000 1.100 357 D HN 0.273 nan 8.370 nan 0.000 0.477 358 L N 5.361 126.461 121.223 -0.206 0.000 2.027 358 L HA -0.002 4.317 4.340 -0.036 0.000 0.206 358 L C 1.377 178.266 176.870 0.031 0.000 1.074 358 L CA 1.505 56.260 54.840 -0.142 0.000 0.745 358 L CB -0.319 41.586 42.059 -0.257 0.000 0.898 358 L HN 0.605 nan 8.230 nan 0.000 0.433 359 W N -0.178 121.128 121.300 0.011 0.000 2.381 359 W HA -0.093 4.545 4.660 -0.036 0.000 0.301 359 W C 2.981 179.505 176.519 0.009 0.000 1.205 359 W CA 1.491 58.843 57.345 0.012 0.000 1.285 359 W CB -1.676 27.796 29.460 0.020 0.000 1.133 359 W HN 0.529 nan 8.180 nan 0.000 0.521 360 S N -1.020 114.821 115.700 0.235 0.000 2.478 360 S HA 0.270 4.719 4.470 -0.036 0.000 0.222 360 S C 1.783 176.433 174.600 0.084 0.000 1.008 360 S CA 0.884 59.167 58.200 0.139 0.000 0.928 360 S CB -0.115 63.157 63.200 0.120 0.000 0.781 360 S HN 0.422 nan 8.310 nan 0.000 0.518 361 G N 1.135 109.972 108.800 0.061 0.000 2.162 361 G HA2 -0.237 3.701 3.960 -0.036 0.000 0.260 361 G HA3 -0.237 3.701 3.960 -0.036 0.000 0.260 361 G C -0.005 174.904 174.900 0.015 0.000 0.976 361 G CA 0.378 45.495 45.100 0.028 0.000 0.655 361 G HN 0.605 nan 8.290 nan 0.000 0.533 362 I N 1.240 121.822 120.570 0.020 0.000 2.342 362 I HA 0.278 4.427 4.170 -0.036 0.000 0.291 362 I C -0.401 175.721 176.117 0.009 0.000 1.010 362 I CA -0.802 60.517 61.300 0.032 0.000 1.308 362 I CB 1.039 39.076 38.000 0.062 0.000 1.400 362 I HN -0.031 nan 8.210 nan 0.000 0.488 363 N N 6.403 125.119 118.700 0.027 0.000 2.424 363 N HA 0.303 5.021 4.740 -0.036 0.000 0.271 363 N C -1.324 174.254 175.510 0.113 0.000 0.985 363 N CA -0.413 52.649 53.050 0.020 0.000 0.921 363 N CB 1.923 40.403 38.487 -0.011 0.000 1.149 363 N HN 0.448 nan 8.380 nan 0.000 0.492 364 Y N 1.034 121.320 120.300 -0.023 0.000 2.391 364 Y HA 0.481 5.009 4.550 -0.036 0.000 0.341 364 Y C -1.017 174.891 175.900 0.013 0.000 0.965 364 Y CA -0.335 57.770 58.100 0.008 0.000 1.067 364 Y CB 1.650 40.132 38.460 0.035 0.000 1.199 364 Y HN 0.335 nan 8.280 nan 0.000 0.450 365 T N 6.915 121.307 114.554 -0.270 0.000 3.032 365 T HA 0.579 4.907 4.350 -0.036 0.000 0.312 365 T C -1.309 173.183 174.700 -0.346 0.000 1.078 365 T CA -0.988 61.001 62.100 -0.184 0.000 1.028 365 T CB 1.187 70.004 68.868 -0.083 0.000 1.091 365 T HN 0.421 nan 8.240 nan 0.000 0.457 366 R N 1.862 122.240 120.500 -0.205 0.000 2.686 366 R HA 0.562 4.880 4.340 -0.036 0.000 0.283 366 R C -0.466 175.820 176.300 -0.022 0.000 0.978 366 R CA -0.841 55.169 56.100 -0.149 0.000 0.897 366 R CB 2.407 32.636 30.300 -0.119 0.000 1.192 366 R HN 0.566 nan 8.270 nan 0.000 0.457 367 R N 0.842 121.343 120.500 0.002 0.000 2.573 367 R HA 0.384 4.703 4.340 -0.036 0.000 0.272 367 R C 0.063 176.431 176.300 0.113 0.000 1.009 367 R CA -0.628 55.503 56.100 0.051 0.000 1.059 367 R CB 1.453 31.780 30.300 0.045 0.000 1.112 367 R HN 0.557 nan 8.270 nan 0.000 0.517 368 N N 0.310 119.113 118.700 0.172 0.000 2.459 368 N HA 0.418 5.137 4.740 -0.036 0.000 0.288 368 N C -1.075 174.645 175.510 0.350 0.000 1.186 368 N CA -0.716 52.501 53.050 0.278 0.000 0.917 368 N CB 1.277 39.975 38.487 0.351 0.000 1.219 368 N HN 0.513 nan 8.380 nan 0.000 0.525 369 R N -0.069 120.687 120.500 0.427 0.000 2.692 369 R HA 0.440 4.758 4.340 -0.036 0.000 0.269 369 R C -1.493 175.044 176.300 0.395 0.000 1.030 369 R CA -1.101 55.255 56.100 0.427 0.000 0.882 369 R CB 1.343 31.900 30.300 0.428 0.000 1.250 369 R HN 0.558 nan 8.270 nan 0.000 0.465 370 R N 1.924 122.439 120.500 0.024 0.000 2.744 370 R HA 0.519 4.837 4.340 -0.036 0.000 0.279 370 R C -1.352 174.454 176.300 -0.823 0.000 0.977 370 R CA -1.044 54.751 56.100 -0.507 0.000 0.906 370 R CB 2.046 31.674 30.300 -1.119 0.000 1.197 370 R HN 0.638 nan 8.270 nan 0.000 0.463 371 M N 2.929 121.761 119.600 -1.280 0.000 2.188 371 M HA 0.308 4.766 4.480 -0.036 0.000 0.357 371 M C -1.585 174.228 176.300 -0.811 0.000 1.204 371 M CA -0.603 53.869 55.300 -1.380 0.000 1.095 371 M CB 1.554 33.146 32.600 -1.680 0.000 1.604 371 M HN 0.466 nan 8.290 nan 0.000 0.464 372 V N 7.143 126.631 119.914 -0.709 0.000 2.448 372 V HA 0.564 4.662 4.120 -0.036 0.000 0.295 372 V C -0.471 175.421 176.094 -0.336 0.000 1.025 372 V CA -0.577 61.477 62.300 -0.410 0.000 0.859 372 V CB 1.554 33.143 31.823 -0.389 0.000 0.988 372 V HN 0.787 nan 8.190 nan 0.000 0.431 373 I N 4.704 125.151 120.570 -0.205 0.000 2.439 373 I HA 0.636 4.785 4.170 -0.036 0.000 0.285 373 I C -0.109 175.991 176.117 -0.027 0.000 1.021 373 I CA -0.030 61.199 61.300 -0.119 0.000 1.091 373 I CB 1.963 39.895 38.000 -0.113 0.000 1.242 373 I HN 0.778 nan 8.210 nan 0.000 0.439 374 S N 5.784 121.462 115.700 -0.036 0.000 2.638 374 S HA 0.874 5.322 4.470 -0.036 0.000 0.274 374 S C -0.930 173.735 174.600 0.109 0.000 1.157 374 S CA -0.702 57.411 58.200 -0.145 0.000 0.826 374 S CB 2.653 65.392 63.200 -0.768 0.000 1.139 374 S HN 0.554 nan 8.310 nan 0.000 0.474 375 F N -1.149 118.733 119.950 -0.114 0.000 2.686 375 F HA 0.897 5.402 4.527 -0.036 0.000 0.311 375 F C -2.271 173.618 175.800 0.149 0.000 1.128 375 F CA -1.621 56.425 58.000 0.077 0.000 0.946 375 F CB 0.936 40.028 39.000 0.153 0.000 1.336 375 F HN 0.625 nan 8.300 nan 0.000 0.457 376 F N 0.885 120.875 119.950 0.067 0.000 2.556 376 F HA 0.682 5.187 4.527 -0.037 0.000 0.314 376 F C -0.253 175.673 175.800 0.210 0.000 1.106 376 F CA -0.392 57.627 58.000 0.033 0.000 0.911 376 F CB 2.340 41.393 39.000 0.087 0.000 1.190 376 F HN 0.879 nan 8.300 nan 0.000 0.448 377 T N 2.030 116.845 114.554 0.434 0.000 2.916 377 T HA 0.665 4.993 4.350 -0.036 0.000 0.292 377 T C -1.186 173.778 174.700 0.440 0.000 1.055 377 T CA -0.321 62.078 62.100 0.498 0.000 1.009 377 T CB 1.407 70.606 68.868 0.552 0.000 1.118 377 T HN 0.557 nan 8.240 nan 0.000 0.497 378 T N 4.309 119.078 114.554 0.359 0.000 2.809 378 T HA 0.526 4.854 4.350 -0.036 0.000 0.284 378 T C -0.686 174.067 174.700 0.089 0.000 0.992 378 T CA -0.558 61.656 62.100 0.189 0.000 0.957 378 T CB 0.486 69.436 68.868 0.137 0.000 0.942 378 T HN 0.415 nan 8.240 nan 0.000 0.439 379 I N 4.000 124.573 120.570 0.004 0.000 2.460 379 I HA 0.370 4.518 4.170 -0.036 0.000 0.277 379 I C 1.349 177.331 176.117 -0.225 0.000 1.057 379 I CA 0.152 61.375 61.300 -0.129 0.000 1.179 379 I CB -0.216 37.755 38.000 -0.048 0.000 1.329 379 I HN 0.962 nan 8.210 nan 0.000 0.478 380 G N 7.217 115.889 108.800 -0.213 0.000 2.620 380 G HA2 -0.321 3.617 3.960 -0.036 0.000 0.315 380 G HA3 -0.321 3.617 3.960 -0.036 0.000 0.315 380 G C 0.466 175.258 174.900 -0.181 0.000 1.179 380 G CA 0.565 45.596 45.100 -0.115 0.000 0.971 380 G HN 0.655 nan 8.290 nan 0.000 0.544 384 Y N 0.443 120.821 120.300 0.130 0.000 2.376 384 Y HA 0.707 5.235 4.550 -0.036 0.000 0.340 384 Y C 0.799 176.182 175.900 -0.862 0.000 0.965 384 Y CA -1.042 56.922 58.100 -0.226 0.000 1.078 384 Y CB 2.448 40.872 38.460 -0.060 0.000 1.193 384 Y HN 0.444 nan 8.280 nan 0.000 0.452 385 G N 2.457 110.558 108.800 -1.165 0.000 2.372 385 G HA2 0.589 4.528 3.960 -0.036 0.000 0.323 385 G HA3 0.589 4.528 3.960 -0.036 0.000 0.323 385 G C -1.673 172.873 174.900 -0.590 0.000 1.152 385 G CA -0.426 43.856 45.100 -1.364 0.000 0.906 385 G HN 0.329 nan 8.290 nan 0.000 0.460 386 F N 1.420 120.916 119.950 -0.758 0.000 2.426 386 F HA 0.498 5.003 4.527 -0.037 0.000 0.348 386 F C -0.736 174.717 175.800 -0.577 0.000 1.124 386 F CA -0.927 56.804 58.000 -0.447 0.000 1.008 386 F CB 1.824 40.706 39.000 -0.198 0.000 1.139 386 F HN 0.297 nan 8.300 nan 0.000 0.452 387 Y N 1.325 121.188 120.300 -0.728 0.000 2.391 387 Y HA 0.448 4.976 4.550 -0.037 0.000 0.341 387 Y C -1.129 174.041 175.900 -1.217 0.000 0.965 387 Y CA -1.601 56.019 58.100 -0.800 0.000 1.067 387 Y CB 1.443 39.379 38.460 -0.874 0.000 1.199 387 Y HN 0.523 nan 8.280 nan 0.000 0.450 388 W N 3.426 124.390 121.300 -0.560 0.000 2.529 388 W HA 0.612 5.250 4.660 -0.036 0.000 0.321 388 W C -1.428 174.685 176.519 -0.677 0.000 1.047 388 W CA -0.732 56.308 57.345 -0.507 0.000 1.216 388 W CB 1.150 30.482 29.460 -0.213 0.000 1.357 388 W HN 0.320 nan 8.180 nan 0.000 0.489 389 Y N 3.029 123.226 120.300 -0.172 0.000 2.409 389 Y HA 0.659 5.187 4.550 -0.036 0.000 0.343 389 Y C -0.244 175.343 175.900 -0.521 0.000 0.973 389 Y CA -1.722 56.091 58.100 -0.479 0.000 1.064 389 Y CB 1.157 39.231 38.460 -0.644 0.000 1.207 389 Y HN 0.068 nan 8.280 nan 0.000 0.452 390 L N 4.043 124.915 121.223 -0.586 0.000 2.356 390 L HA 0.524 4.843 4.340 -0.036 0.000 0.277 390 L C -1.227 175.428 176.870 -0.357 0.000 0.996 390 L CA -0.856 53.586 54.840 -0.664 0.000 0.822 390 L CB 1.299 42.676 42.059 -1.136 0.000 1.256 390 L HN 0.590 nan 8.230 nan 0.000 0.413 391 Y N 1.843 122.298 120.300 0.259 0.000 2.496 391 Y HA 0.326 4.854 4.550 -0.036 0.000 0.331 391 Y C 1.180 177.540 175.900 0.767 0.000 1.140 391 Y CA -0.728 57.637 58.100 0.443 0.000 1.166 391 Y CB 1.485 40.100 38.460 0.258 0.000 1.249 391 Y HN 0.440 nan 8.280 nan 0.000 0.479 392 L N 0.711 122.363 121.223 0.714 0.000 2.079 392 L HA -0.206 4.112 4.340 -0.036 0.000 0.210 392 L C 1.735 178.852 176.870 0.412 0.000 1.081 392 L CA 1.734 56.855 54.840 0.468 0.000 0.752 392 L CB -0.319 41.901 42.059 0.268 0.000 0.896 392 L HN 0.772 nan 8.230 nan 0.000 0.433 393 D N -0.398 120.221 120.400 0.364 0.000 2.363 393 D HA -0.032 4.586 4.640 -0.036 0.000 0.226 393 D C 1.408 177.797 176.300 0.149 0.000 1.020 393 D CA 0.938 55.041 54.000 0.172 0.000 0.892 393 D CB 0.276 41.153 40.800 0.127 0.000 0.900 393 D HN 0.369 nan 8.370 nan 0.000 0.531 394 G N -0.526 108.529 108.800 0.424 0.000 2.176 394 G HA2 -0.238 3.700 3.960 -0.036 0.000 0.232 394 G HA3 -0.238 3.700 3.960 -0.036 0.000 0.232 394 G C 0.394 175.774 174.900 0.800 0.000 0.986 394 G CA 0.191 45.553 45.100 0.438 0.000 0.643 394 G HN 0.452 nan 8.290 nan 0.000 0.522 395 T N 1.364 116.313 114.554 0.660 0.000 2.919 395 T HA 0.570 4.898 4.350 -0.036 0.000 0.302 395 T C 0.515 175.590 174.700 0.626 0.000 1.031 395 T CA 0.440 62.869 62.100 0.549 0.000 1.127 395 T CB 1.253 70.264 68.868 0.237 0.000 0.952 395 T HN 0.336 nan 8.240 nan 0.000 0.540 396 I N 2.510 123.363 120.570 0.471 0.000 2.465 396 I HA 0.506 4.654 4.170 -0.036 0.000 0.291 396 I C 0.074 176.338 176.117 0.245 0.000 1.014 396 I CA -0.656 60.814 61.300 0.283 0.000 1.093 396 I CB 1.962 40.096 38.000 0.224 0.000 1.267 396 I HN 0.612 nan 8.210 nan 0.000 0.431 397 E N 5.529 125.828 120.200 0.165 0.000 2.356 397 E HA 0.491 4.819 4.350 -0.036 0.000 0.275 397 E C -2.050 174.346 176.600 -0.340 0.000 0.904 397 E CA -0.627 55.754 56.400 -0.031 0.000 0.757 397 E CB 2.789 32.609 29.700 0.201 0.000 1.232 397 E HN 0.415 nan 8.360 nan 0.000 0.442 398 F N 2.231 121.575 119.950 -1.010 0.000 2.546 398 F HA 0.541 5.046 4.527 -0.037 0.000 0.320 398 F C -1.204 174.015 175.800 -0.968 0.000 1.076 398 F CA -0.504 56.692 58.000 -1.340 0.000 0.928 398 F CB 1.843 39.707 39.000 -1.894 0.000 1.189 398 F HN 0.520 nan 8.300 nan 0.000 0.465 399 E N 4.110 123.109 120.200 -2.001 0.000 2.291 399 E HA 0.666 4.995 4.350 -0.036 0.000 0.276 399 E C -1.951 173.771 176.600 -1.464 0.000 0.896 399 E CA -0.930 54.712 56.400 -1.264 0.000 0.774 399 E CB 1.749 31.113 29.700 -0.559 0.000 1.227 399 E HN 0.888 nan 8.360 nan 0.000 0.413 400 A N 4.425 126.647 122.820 -0.998 0.000 2.305 400 A HA 0.581 4.879 4.320 -0.036 0.000 0.322 400 A C -0.766 176.539 177.584 -0.465 0.000 1.187 400 A CA -0.668 50.887 52.037 -0.804 0.000 0.825 400 A CB 0.835 19.214 19.000 -1.036 0.000 1.164 400 A HN 0.549 nan 8.150 nan 0.000 0.498 401 K N 1.449 121.635 120.400 -0.356 0.000 2.358 401 K HA 0.584 4.883 4.320 -0.036 0.000 0.260 401 K C -0.733 175.813 176.600 -0.091 0.000 0.956 401 K CA -0.332 55.838 56.287 -0.195 0.000 0.834 401 K CB 2.194 34.614 32.500 -0.135 0.000 1.102 401 K HN 0.733 nan 8.250 nan 0.000 0.431 402 A N 2.447 125.243 122.820 -0.039 0.000 2.288 402 A HA 0.603 4.901 4.320 -0.036 0.000 0.320 402 A C -0.143 177.407 177.584 -0.058 0.000 1.217 402 A CA -0.277 51.743 52.037 -0.028 0.000 0.840 402 A CB 1.372 20.319 19.000 -0.089 0.000 1.179 402 A HN 0.691 nan 8.150 nan 0.000 0.504 403 T N 0.809 115.316 114.554 -0.079 0.000 2.606 403 T HA 0.789 5.117 4.350 -0.036 0.000 0.289 403 T C 0.390 175.014 174.700 -0.127 0.000 1.113 403 T CA 1.054 63.121 62.100 -0.055 0.000 1.106 403 T CB 0.610 69.489 68.868 0.018 0.000 1.611 403 T HN 2.663 nan 8.240 nan 0.000 0.471 404 G N -0.106 108.611 108.800 -0.138 0.000 2.445 404 G HA2 0.012 3.950 3.960 -0.036 0.000 0.212 404 G HA3 0.012 3.950 3.960 -0.036 0.000 0.212 404 G C -1.167 173.615 174.900 -0.198 0.000 1.217 404 G CA -0.198 44.786 45.100 -0.193 0.000 1.002 404 G HN 1.381 nan 8.290 nan 0.000 0.574 405 V N 1.333 121.097 119.914 -0.249 0.000 2.495 405 V HA 0.617 4.715 4.120 -0.036 0.000 0.298 405 V C 1.137 177.146 176.094 -0.142 0.000 1.031 405 V CA -0.133 62.046 62.300 -0.202 0.000 0.871 405 V CB 1.139 32.766 31.823 -0.325 0.000 0.988 405 V HN 1.687 nan 8.190 nan 0.000 0.432 406 V N 2.175 122.152 119.914 0.105 0.000 2.872 406 V HA 0.335 4.434 4.120 -0.036 0.000 0.307 406 V C -0.130 176.038 176.094 0.123 0.000 1.072 406 V CA -0.243 62.161 62.300 0.173 0.000 1.148 406 V CB 0.187 32.174 31.823 0.273 0.000 0.954 406 V HN 0.620 nan 8.190 nan 0.000 0.490 407 F N 4.571 124.531 119.950 0.017 0.000 2.456 407 F HA 0.523 5.032 4.527 -0.031 0.000 0.358 407 F C 0.967 176.873 175.800 0.177 0.000 1.095 407 F CA 0.488 58.519 58.000 0.053 0.000 1.216 407 F CB 0.862 39.865 39.000 0.006 0.000 1.125 407 F HN 1.012 nan 8.300 nan 0.000 0.549 408 T N 1.666 116.208 114.554 -0.020 0.000 2.937 408 T HA 0.845 5.173 4.350 -0.036 0.000 0.283 408 T C -0.256 174.503 174.700 0.098 0.000 1.012 408 T CA -0.227 61.931 62.100 0.097 0.000 0.997 408 T CB 1.610 70.524 68.868 0.077 0.000 1.136 408 T HN 0.744 nan 8.240 nan 0.000 0.551 409 S N -0.540 115.183 115.700 0.040 0.000 2.757 409 S HA 0.790 5.238 4.470 -0.036 0.000 0.285 409 S C -0.603 173.962 174.600 -0.059 0.000 1.196 409 S CA -0.781 57.396 58.200 -0.039 0.000 0.856 409 S CB 0.752 63.938 63.200 -0.025 0.000 1.212 409 S HN 1.417 nan 8.310 nan 0.000 0.516 410 A N 0.338 123.081 122.820 -0.129 0.000 2.286 410 A HA 0.730 5.028 4.320 -0.036 0.000 0.286 410 A C -0.913 176.702 177.584 0.052 0.000 1.097 410 A CA -0.451 51.566 52.037 -0.034 0.000 0.821 410 A CB -0.014 18.956 19.000 -0.050 0.000 1.076 410 A HN 0.990 nan 8.150 nan 0.000 0.490 411 F N 3.627 123.570 119.950 -0.013 0.000 2.361 411 F HA 0.465 4.968 4.527 -0.040 0.000 0.364 411 F C -1.812 174.026 175.800 0.062 0.000 1.120 411 F CA -2.683 55.315 58.000 -0.003 0.000 1.102 411 F CB 1.052 40.042 39.000 -0.017 0.000 1.183 411 F HN 0.373 nan 8.300 nan 0.000 0.476 412 P HA -0.049 nan 4.420 nan 0.000 0.266 412 P C -0.609 176.547 177.300 -0.239 0.000 1.195 412 P CA -0.065 62.931 63.100 -0.172 0.000 0.768 412 P CB 0.694 32.305 31.700 -0.149 0.000 0.838 413 E N 0.989 121.144 120.200 -0.075 0.000 2.376 413 E HA 0.241 4.570 4.350 -0.036 0.000 0.266 413 E C 1.065 177.619 176.600 -0.077 0.000 1.009 413 E CA 0.634 57.009 56.400 -0.043 0.000 0.902 413 E CB -0.417 29.264 29.700 -0.031 0.000 0.972 413 E HN 0.786 nan 8.360 nan 0.000 0.439 414 G N 2.649 111.421 108.800 -0.046 0.000 2.213 414 G HA2 -0.166 3.773 3.960 -0.036 0.000 0.226 414 G HA3 -0.166 3.773 3.960 -0.036 0.000 0.226 414 G C 0.598 175.456 174.900 -0.070 0.000 0.992 414 G CA -0.108 44.966 45.100 -0.043 0.000 0.632 414 G HN 1.467 nan 8.290 nan 0.000 0.511 415 G N -1.529 107.154 108.800 -0.195 0.000 2.660 415 G HA2 0.439 4.377 3.960 -0.036 0.000 0.247 415 G HA3 0.439 4.377 3.960 -0.036 0.000 0.247 415 G C -0.214 174.459 174.900 -0.380 0.000 1.328 415 G CA 0.958 45.896 45.100 -0.271 0.000 0.884 415 G HN 2.223 nan 8.290 nan 0.000 0.531 416 S N -1.475 114.088 115.700 -0.228 0.000 2.547 416 S HA 0.625 5.074 4.470 -0.036 0.000 0.270 416 S C -0.472 174.097 174.600 -0.051 0.000 1.150 416 S CA 0.402 58.492 58.200 -0.183 0.000 0.850 416 S CB 1.804 64.826 63.200 -0.298 0.000 1.118 416 S HN 0.623 nan 8.310 nan 0.000 0.461 417 D N 2.026 122.391 120.400 -0.058 0.000 2.369 417 D HA 0.218 4.836 4.640 -0.036 0.000 0.211 417 D C 0.167 176.447 176.300 -0.033 0.000 1.077 417 D CA 0.372 54.387 54.000 0.025 0.000 0.842 417 D CB 0.089 40.916 40.800 0.045 0.000 0.947 417 D HN 0.596 nan 8.370 nan 0.000 0.509 418 N N -0.392 118.106 118.700 -0.337 0.000 2.184 418 N HA 0.263 4.981 4.740 -0.036 0.000 0.234 418 N C -0.390 174.348 175.510 -1.286 0.000 1.282 418 N CA 0.006 52.623 53.050 -0.722 0.000 0.877 418 N CB 1.725 40.073 38.487 -0.232 0.000 1.184 418 N HN -0.008 nan 8.380 nan 0.000 0.510 419 I N 0.288 120.263 120.570 -0.992 0.000 2.722 419 I HA 0.363 4.512 4.170 -0.036 0.000 0.295 419 I C -0.709 175.409 176.117 0.001 0.000 1.161 419 I CA -0.994 60.035 61.300 -0.452 0.000 1.032 419 I CB 2.238 40.177 38.000 -0.100 0.000 1.244 419 I HN -0.052 nan 8.210 nan 0.000 0.421 420 S N 3.503 119.344 115.700 0.235 0.000 2.593 420 S HA 0.520 4.968 4.470 -0.036 0.000 0.297 420 S C -0.731 173.859 174.600 -0.016 0.000 1.112 420 S CA -0.820 57.541 58.200 0.268 0.000 1.043 420 S CB 2.024 65.438 63.200 0.358 0.000 1.054 420 S HN 0.669 nan 8.310 nan 0.000 0.516 421 Q N 1.057 120.573 119.800 -0.472 0.000 2.296 421 Q HA 0.430 4.749 4.340 -0.036 0.000 0.257 421 Q C -0.168 175.623 176.000 -0.348 0.000 0.942 421 Q CA -0.519 54.824 55.803 -0.767 0.000 0.939 421 Q CB 0.658 28.524 28.738 -1.454 0.000 1.198 421 Q HN 0.858 nan 8.270 nan 0.000 0.429 422 L N 2.109 123.155 121.223 -0.295 0.000 2.515 422 L HA 0.511 4.830 4.340 -0.036 0.000 0.223 422 L C 0.400 177.116 176.870 -0.256 0.000 1.079 422 L CA 0.133 54.833 54.840 -0.234 0.000 0.857 422 L CB 0.504 42.373 42.059 -0.316 0.000 1.050 422 L HN 0.654 nan 8.230 nan 0.000 0.476 423 A N -0.896 121.741 122.820 -0.305 0.000 2.581 423 A HA 0.623 4.922 4.320 -0.036 0.000 0.290 423 A C -2.730 174.769 177.584 -0.142 0.000 1.119 423 A CA -0.977 50.948 52.037 -0.187 0.000 0.670 423 A CB 0.421 19.289 19.000 -0.221 0.000 1.280 423 A HN -0.229 nan 8.150 nan 0.000 0.425 424 P HA 0.277 nan 4.420 nan 0.000 0.257 424 P C 0.988 178.293 177.300 0.009 0.000 1.189 424 P CA 2.376 65.467 63.100 -0.015 0.000 0.780 424 P CB 0.268 31.977 31.700 0.016 0.000 0.772 425 G N 2.366 111.198 108.800 0.054 0.000 2.189 425 G HA2 -0.280 3.658 3.960 -0.036 0.000 0.267 425 G HA3 -0.280 3.658 3.960 -0.036 0.000 0.267 425 G C -0.145 174.809 174.900 0.090 0.000 0.975 425 G CA -0.080 45.090 45.100 0.117 0.000 0.644 425 G HN 0.562 nan 8.290 nan 0.000 0.537 426 L N 1.539 122.749 121.223 -0.021 0.000 2.282 426 L HA 0.804 5.122 4.340 -0.036 0.000 0.288 426 L C 0.664 177.479 176.870 -0.092 0.000 1.033 426 L CA 0.133 54.903 54.840 -0.117 0.000 0.807 426 L CB 1.230 43.083 42.059 -0.344 0.000 1.209 426 L HN 0.363 nan 8.230 nan 0.000 0.423 427 G N 3.319 112.124 108.800 0.007 0.000 2.489 427 G HA2 0.773 4.712 3.960 -0.036 0.000 0.327 427 G HA3 0.773 4.712 3.960 -0.036 0.000 0.327 427 G C -1.612 173.313 174.900 0.042 0.000 1.189 427 G CA -0.347 44.816 45.100 0.105 0.000 0.962 427 G HN 0.952 nan 8.290 nan 0.000 0.486 428 A N 1.807 124.690 122.820 0.105 0.000 2.522 428 A HA 0.733 5.032 4.320 -0.036 0.000 0.285 428 A C -2.655 175.061 177.584 0.220 0.000 1.198 428 A CA -1.315 50.817 52.037 0.158 0.000 0.742 428 A CB 1.507 20.588 19.000 0.136 0.000 1.176 428 A HN 0.475 nan 8.150 nan 0.000 0.444 429 P HA 0.145 nan 4.420 nan 0.000 0.266 429 P C -0.425 177.114 177.300 0.400 0.000 1.195 429 P CA 0.249 63.480 63.100 0.218 0.000 0.768 429 P CB 0.308 32.173 31.700 0.275 0.000 0.838 430 F N 3.037 123.073 119.950 0.142 0.000 2.545 430 F HA 0.178 4.684 4.527 -0.034 0.000 0.348 430 F C 1.684 177.382 175.800 -0.171 0.000 1.163 430 F CA 0.619 58.588 58.000 -0.052 0.000 1.331 430 F CB -0.565 38.431 39.000 -0.006 0.000 1.138 430 F HN 0.526 nan 8.300 nan 0.000 0.602 431 H N -0.554 118.335 119.070 -0.302 0.000 2.887 431 H HA 0.477 5.012 4.556 -0.036 0.000 0.290 431 H C -1.837 173.144 175.328 -0.578 0.000 1.429 431 H CA -1.109 54.562 56.048 -0.629 0.000 1.137 431 H CB 1.311 30.291 29.762 -1.304 0.000 1.824 431 H HN 0.585 nan 8.280 nan 0.000 0.520 432 Q N 0.027 119.469 119.800 -0.597 0.000 2.484 432 Q HA 0.407 4.725 4.340 -0.036 0.000 0.285 432 Q C -1.144 174.478 176.000 -0.630 0.000 1.097 432 Q CA -1.009 54.480 55.803 -0.524 0.000 0.802 432 Q CB 2.959 31.471 28.738 -0.378 0.000 1.444 432 Q HN 0.541 nan 8.270 nan 0.000 0.429 433 H N 1.099 120.034 119.070 -0.224 0.000 2.970 433 H HA 0.443 4.977 4.556 -0.037 0.000 0.315 433 H C -1.008 174.094 175.328 -0.376 0.000 0.992 433 H CA -0.205 55.645 56.048 -0.330 0.000 1.363 433 H CB 0.711 30.390 29.762 -0.138 0.000 1.532 433 H HN 0.451 nan 8.280 nan 0.000 0.514 434 I N 4.022 124.328 120.570 -0.441 0.000 2.389 434 I HA 0.242 4.391 4.170 -0.036 0.000 0.288 434 I C -0.508 175.338 176.117 -0.452 0.000 0.999 434 I CA -0.597 60.501 61.300 -0.337 0.000 1.129 434 I CB 1.010 38.834 38.000 -0.293 0.000 1.288 434 I HN 0.180 nan 8.210 nan 0.000 0.444 435 F N 3.155 122.794 119.950 -0.518 0.000 2.450 435 F HA 0.549 5.054 4.527 -0.036 0.000 0.328 435 F C 0.652 176.209 175.800 -0.405 0.000 1.068 435 F CA -0.874 56.776 58.000 -0.583 0.000 1.007 435 F CB 1.661 39.997 39.000 -1.106 0.000 1.251 435 F HN 0.262 nan 8.300 nan 0.000 0.492 436 S N 0.932 116.632 115.700 -0.000 0.000 2.756 436 S HA 0.764 5.212 4.470 -0.036 0.000 0.303 436 S C -1.003 173.689 174.600 0.155 0.000 1.135 436 S CA -0.557 57.689 58.200 0.078 0.000 1.066 436 S CB 0.495 63.579 63.200 -0.193 0.000 1.008 436 S HN 0.849 nan 8.310 nan 0.000 0.482 437 A N 4.859 127.833 122.820 0.258 0.000 2.276 437 A HA 0.608 4.906 4.320 -0.036 0.000 0.300 437 A C 0.171 177.770 177.584 0.024 0.000 1.235 437 A CA -0.653 51.492 52.037 0.181 0.000 0.867 437 A CB 0.324 19.402 19.000 0.131 0.000 1.137 437 A HN 0.848 nan 8.150 nan 0.000 0.527 438 R N 3.599 124.045 120.500 -0.091 0.000 2.198 438 R HA 0.515 4.833 4.340 -0.036 0.000 0.339 438 R C -1.517 174.574 176.300 -0.347 0.000 1.020 438 R CA -0.321 55.508 56.100 -0.452 0.000 0.864 438 R CB 0.239 30.140 30.300 -0.663 0.000 1.105 438 R HN 0.714 nan 8.270 nan 0.000 0.463 439 L N 4.531 125.543 121.223 -0.351 0.000 2.301 439 L HA 0.251 4.569 4.340 -0.036 0.000 0.278 439 L C -0.411 176.328 176.870 -0.217 0.000 1.022 439 L CA -0.870 53.847 54.840 -0.205 0.000 0.854 439 L CB 1.461 43.465 42.059 -0.091 0.000 1.226 439 L HN 0.546 nan 8.230 nan 0.000 0.429 440 D N 5.061 125.347 120.400 -0.189 0.000 2.383 440 D HA 0.147 4.766 4.640 -0.036 0.000 0.245 440 D C 0.199 176.480 176.300 -0.032 0.000 1.263 440 D CA -0.234 53.712 54.000 -0.090 0.000 0.936 440 D CB 0.597 41.366 40.800 -0.051 0.000 1.053 440 D HN 0.159 nan 8.370 nan 0.000 0.507 441 M N 2.225 121.822 119.600 -0.005 0.000 2.240 441 M HA 0.347 4.805 4.480 -0.036 0.000 0.333 441 M C 0.450 176.760 176.300 0.017 0.000 1.110 441 M CA -0.370 54.926 55.300 -0.006 0.000 1.173 441 M CB 0.754 33.362 32.600 0.013 0.000 1.458 441 M HN 0.483 nan 8.290 nan 0.000 0.458 442 A N 3.340 126.100 122.820 -0.101 0.000 3.368 442 A HA 0.366 4.664 4.320 -0.036 0.000 0.211 442 A C -0.371 177.100 177.584 -0.188 0.000 1.004 442 A CA -0.550 51.327 52.037 -0.266 0.000 1.059 442 A CB 0.095 18.777 19.000 -0.531 0.000 1.298 442 A HN 0.609 nan 8.150 nan 0.000 0.613 443 I N 1.678 122.204 120.570 -0.073 0.000 2.691 443 I HA 0.038 4.186 4.170 -0.036 0.000 0.288 443 I C 0.422 176.589 176.117 0.084 0.000 1.143 443 I CA 0.896 62.217 61.300 0.035 0.000 1.364 443 I CB -1.064 36.998 38.000 0.102 0.000 1.435 443 I HN 0.483 nan 8.210 nan 0.000 0.551 444 D N 4.871 125.343 120.400 0.120 0.000 2.911 444 D HA -0.160 4.458 4.640 -0.036 0.000 0.227 444 D C 0.614 176.878 176.300 -0.061 0.000 1.164 444 D CA 1.695 55.715 54.000 0.034 0.000 0.782 444 D CB -0.742 40.058 40.800 -0.001 0.000 1.094 444 D HN 1.095 nan 8.370 nan 0.000 0.425 445 G N -2.420 106.285 108.800 -0.159 0.000 2.353 445 G HA2 0.007 3.945 3.960 -0.036 0.000 0.424 445 G HA3 0.007 3.945 3.960 -0.036 0.000 0.424 445 G C 0.125 174.854 174.900 -0.284 0.000 1.320 445 G CA -0.402 44.551 45.100 -0.245 0.000 0.995 445 G HN 0.012 nan 8.290 nan 0.000 0.580 446 F N 0.684 120.625 119.950 -0.015 0.000 2.710 446 F HA 0.226 4.731 4.527 -0.036 0.000 0.298 446 F C 2.250 178.048 175.800 -0.004 0.000 1.137 446 F CA 1.089 59.072 58.000 -0.027 0.000 1.444 446 F CB 0.339 39.305 39.000 -0.056 0.000 1.111 446 F HN 0.280 nan 8.300 nan 0.000 0.580 447 T N 2.849 117.492 114.554 0.148 0.000 2.978 447 T HA 0.142 4.471 4.350 -0.036 0.000 0.278 447 T C -0.062 174.690 174.700 0.087 0.000 0.945 447 T CA -0.048 62.116 62.100 0.107 0.000 1.070 447 T CB -0.537 68.376 68.868 0.074 0.000 0.948 447 T HN 0.004 nan 8.240 nan 0.000 0.617 448 N N 2.800 121.559 118.700 0.099 0.000 2.469 448 N HA 0.689 5.407 4.740 -0.036 0.000 0.286 448 N C -0.274 175.289 175.510 0.088 0.000 1.275 448 N CA -1.009 52.094 53.050 0.088 0.000 0.790 448 N CB 2.071 40.612 38.487 0.090 0.000 1.446 448 N HN 0.601 nan 8.380 nan 0.000 0.501 449 R N -1.661 118.891 120.500 0.087 0.000 2.710 449 R HA 0.735 5.053 4.340 -0.036 0.000 0.270 449 R C -1.826 174.533 176.300 0.098 0.000 1.021 449 R CA -0.847 55.305 56.100 0.088 0.000 0.889 449 R CB 0.700 31.045 30.300 0.076 0.000 1.243 449 R HN 0.181 nan 8.270 nan 0.000 0.464 450 V N 1.250 121.229 119.914 0.108 0.000 2.555 450 V HA 0.421 4.519 4.120 -0.036 0.000 0.302 450 V C -0.501 175.679 176.094 0.143 0.000 1.038 450 V CA -0.697 61.683 62.300 0.135 0.000 0.887 450 V CB 1.746 33.655 31.823 0.144 0.000 0.991 450 V HN 0.763 nan 8.190 nan 0.000 0.434 451 E N 2.488 122.779 120.200 0.152 0.000 2.210 451 E HA 0.413 4.741 4.350 -0.036 0.000 0.266 451 E C -0.932 175.749 176.600 0.135 0.000 0.883 451 E CA -0.627 55.845 56.400 0.121 0.000 0.761 451 E CB 2.790 32.531 29.700 0.069 0.000 1.156 451 E HN 0.721 nan 8.360 nan 0.000 0.412 452 E N 2.785 123.050 120.200 0.108 0.000 2.167 452 E HA 0.063 4.391 4.350 -0.036 0.000 0.284 452 E C -0.957 175.557 176.600 -0.143 0.000 1.016 452 E CA -0.236 56.135 56.400 -0.050 0.000 0.817 452 E CB 0.881 30.614 29.700 0.056 0.000 1.080 452 E HN 0.408 nan 8.360 nan 0.000 0.397 453 E N 4.285 124.326 120.200 -0.266 0.000 2.133 453 E HA 0.187 4.516 4.350 -0.036 0.000 0.274 453 E C -1.259 175.210 176.600 -0.218 0.000 0.930 453 E CA -0.788 55.501 56.400 -0.185 0.000 0.770 453 E CB 0.969 30.580 29.700 -0.148 0.000 1.104 453 E HN 0.404 nan 8.360 nan 0.000 0.403 454 D N 2.404 122.724 120.400 -0.134 0.000 2.340 454 D HA 0.287 4.905 4.640 -0.036 0.000 0.240 454 D C -0.625 175.640 176.300 -0.058 0.000 1.001 454 D CA -0.553 53.379 54.000 -0.114 0.000 0.888 454 D CB 2.172 42.921 40.800 -0.086 0.000 1.310 454 D HN 0.160 nan 8.370 nan 0.000 0.474 455 V N 1.219 121.103 119.914 -0.049 0.000 2.775 455 V HA 0.281 4.379 4.120 -0.036 0.000 0.299 455 V C 0.094 176.192 176.094 0.007 0.000 1.062 455 V CA -0.326 61.971 62.300 -0.006 0.000 1.063 455 V CB 1.559 33.357 31.823 -0.042 0.000 0.994 455 V HN 0.262 nan 8.190 nan 0.000 0.483 456 V N 5.930 125.877 119.914 0.055 0.000 2.407 456 V HA 0.451 4.549 4.120 -0.036 0.000 0.291 456 V C 0.185 176.327 176.094 0.081 0.000 1.018 456 V CA -0.796 61.533 62.300 0.048 0.000 0.842 456 V CB 1.611 33.459 31.823 0.041 0.000 0.996 456 V HN 0.812 nan 8.190 nan 0.000 0.426 457 R N 3.334 123.862 120.500 0.047 0.000 2.531 457 R HA 0.582 4.900 4.340 -0.036 0.000 0.273 457 R C -0.553 175.782 176.300 0.057 0.000 1.070 457 R CA -0.502 55.633 56.100 0.058 0.000 1.112 457 R CB 1.113 31.423 30.300 0.017 0.000 1.049 457 R HN 0.667 nan 8.270 nan 0.000 0.508 458 Q N 0.294 120.135 119.800 0.069 0.000 2.377 458 Q HA 0.301 4.619 4.340 -0.036 0.000 0.271 458 Q C -0.865 175.157 176.000 0.036 0.000 1.077 458 Q CA -0.688 55.144 55.803 0.048 0.000 0.820 458 Q CB 2.687 31.454 28.738 0.049 0.000 1.347 458 Q HN 0.469 nan 8.270 nan 0.000 0.444 459 T N 2.016 116.584 114.554 0.024 0.000 2.889 459 T HA 0.269 4.597 4.350 -0.036 0.000 0.291 459 T C 0.077 174.787 174.700 0.017 0.000 0.995 459 T CA -0.457 61.654 62.100 0.018 0.000 1.092 459 T CB 0.579 69.454 68.868 0.012 0.000 0.954 459 T HN 0.472 nan 8.240 nan 0.000 0.506 460 M N 2.788 122.397 119.600 0.015 0.000 2.248 460 M HA 0.435 4.893 4.480 -0.036 0.000 0.345 460 M C 0.483 176.788 176.300 0.009 0.000 1.243 460 M CA 0.927 56.234 55.300 0.013 0.000 1.090 460 M CB -0.421 32.186 32.600 0.012 0.000 1.683 460 M HN 0.928 nan 8.290 nan 0.000 0.450 461 G N 4.358 113.162 108.800 0.007 0.000 2.351 461 G HA2 0.191 4.129 3.960 -0.036 0.000 0.279 461 G HA3 0.191 4.129 3.960 -0.036 0.000 0.279 461 G C -3.388 171.514 174.900 0.003 0.000 1.297 461 G CA -1.136 43.967 45.100 0.005 0.000 0.886 461 G HN 0.425 nan 8.290 nan 0.000 0.493 462 P HA 0.320 nan 4.420 nan 0.000 0.261 462 P C 0.982 178.281 177.300 -0.001 0.000 1.183 462 P CA 2.356 65.456 63.100 -0.000 0.000 0.761 462 P CB 0.702 32.401 31.700 -0.000 0.000 0.785 463 G N 2.823 111.621 108.800 -0.003 0.000 2.199 463 G HA2 -0.274 3.665 3.960 -0.036 0.000 0.254 463 G HA3 -0.274 3.665 3.960 -0.036 0.000 0.254 463 G C 0.487 175.383 174.900 -0.006 0.000 0.982 463 G CA 0.324 45.420 45.100 -0.006 0.000 0.632 463 G HN 0.662 nan 8.290 nan 0.000 0.529 464 N N -0.154 118.545 118.700 -0.002 0.000 2.605 464 N HA 0.331 5.049 4.740 -0.036 0.000 0.265 464 N C 0.938 176.450 175.510 0.004 0.000 1.625 464 N CA 0.437 53.488 53.050 0.001 0.000 0.862 464 N CB 0.409 38.899 38.487 0.005 0.000 1.415 464 N HN 0.089 nan 8.380 nan 0.000 0.513 465 E N 0.128 120.330 120.200 0.002 0.000 2.160 465 E HA -0.036 4.292 4.350 -0.036 0.000 0.195 465 E C 1.229 177.833 176.600 0.006 0.000 0.991 465 E CA 1.246 57.648 56.400 0.003 0.000 0.810 465 E CB 0.097 29.798 29.700 0.001 0.000 0.742 465 E HN 0.410 nan 8.360 nan 0.000 0.466 466 R N -0.903 119.601 120.500 0.007 0.000 2.297 466 R HA 0.147 4.465 4.340 -0.036 0.000 0.197 466 R C 0.777 177.087 176.300 0.016 0.000 0.943 466 R CA 0.525 56.631 56.100 0.010 0.000 1.038 466 R CB 0.292 30.597 30.300 0.009 0.000 0.957 466 R HN 0.237 nan 8.270 nan 0.000 0.484 467 G N 2.173 110.983 108.800 0.018 0.000 2.273 467 G HA2 -0.342 3.596 3.960 -0.036 0.000 0.280 467 G HA3 -0.342 3.596 3.960 -0.036 0.000 0.280 467 G C 0.211 175.136 174.900 0.042 0.000 1.047 467 G CA 0.875 45.991 45.100 0.026 0.000 0.869 467 G HN 0.675 nan 8.290 nan 0.000 0.502 468 N N -0.972 117.755 118.700 0.045 0.000 2.294 468 N HA 0.524 5.243 4.740 -0.036 0.000 0.186 468 N C 1.268 176.841 175.510 0.106 0.000 1.107 468 N CA 0.659 53.752 53.050 0.072 0.000 0.884 468 N CB 0.348 38.864 38.487 0.049 0.000 1.030 468 N HN 0.869 nan 8.380 nan 0.000 0.482 469 A N 0.590 123.444 122.820 0.057 0.000 2.445 469 A HA 0.442 4.740 4.320 -0.036 0.000 0.242 469 A C -0.482 177.187 177.584 0.142 0.000 1.075 469 A CA -0.157 51.892 52.037 0.020 0.000 0.777 469 A CB -0.293 18.696 19.000 -0.017 0.000 1.013 469 A HN 0.504 nan 8.150 nan 0.000 0.493 470 F N -0.179 119.765 119.950 -0.010 0.000 2.654 470 F HA 0.788 5.293 4.527 -0.036 0.000 0.308 470 F C -0.327 175.464 175.800 -0.013 0.000 1.108 470 F CA -0.404 57.588 58.000 -0.012 0.000 0.957 470 F CB 0.908 39.900 39.000 -0.013 0.000 1.309 470 F HN 0.616 nan 8.300 nan 0.000 0.446 471 S N 0.950 116.783 115.700 0.221 0.000 3.331 471 S HA 0.860 5.308 4.470 -0.036 0.000 0.316 471 S C -1.461 173.225 174.600 0.144 0.000 1.104 471 S CA -0.720 57.533 58.200 0.088 0.000 0.977 471 S CB 1.473 64.686 63.200 0.022 0.000 1.370 471 S HN 1.144 nan 8.310 nan 0.000 0.731 472 R N 0.548 121.085 120.500 0.063 0.000 2.710 472 R HA 0.604 4.922 4.340 -0.036 0.000 0.270 472 R C -2.051 174.256 176.300 0.012 0.000 1.021 472 R CA -0.908 55.216 56.100 0.041 0.000 0.889 472 R CB 1.255 31.576 30.300 0.036 0.000 1.243 472 R HN 0.713 nan 8.270 nan 0.000 0.464 473 K N 1.583 121.980 120.400 -0.005 0.000 2.469 473 K HA 0.581 4.879 4.320 -0.036 0.000 0.254 473 K C -1.209 175.379 176.600 -0.020 0.000 0.939 473 K CA -1.134 55.148 56.287 -0.009 0.000 0.812 473 K CB 2.793 35.289 32.500 -0.006 0.000 1.301 473 K HN 0.634 nan 8.250 nan 0.000 0.433 474 R N 1.102 121.596 120.500 -0.011 0.000 2.561 474 R HA 0.389 4.708 4.340 -0.036 0.000 0.297 474 R C -1.145 175.160 176.300 0.007 0.000 0.969 474 R CA -0.925 55.170 56.100 -0.008 0.000 0.879 474 R CB 2.554 32.853 30.300 -0.001 0.000 1.178 474 R HN 0.662 nan 8.270 nan 0.000 0.445 475 T N 2.234 116.798 114.554 0.016 0.000 2.815 475 T HA 0.228 4.557 4.350 -0.036 0.000 0.289 475 T C -0.047 174.686 174.700 0.055 0.000 1.000 475 T CA -0.601 61.518 62.100 0.032 0.000 0.958 475 T CB 1.597 70.485 68.868 0.033 0.000 0.944 475 T HN 0.146 nan 8.240 nan 0.000 0.442 476 V N 5.082 125.027 119.914 0.052 0.000 2.572 476 V HA 0.220 4.319 4.120 -0.036 0.000 0.291 476 V C 0.355 176.491 176.094 0.069 0.000 1.039 476 V CA -0.492 61.846 62.300 0.064 0.000 1.055 476 V CB 0.449 32.304 31.823 0.052 0.000 0.969 476 V HN 0.714 nan 8.190 nan 0.000 0.482 477 L N 5.451 126.725 121.223 0.085 0.000 2.261 477 L HA 0.279 4.597 4.340 -0.036 0.000 0.289 477 L C 1.449 178.361 176.870 0.071 0.000 1.059 477 L CA -0.131 54.758 54.840 0.081 0.000 0.816 477 L CB 1.046 43.163 42.059 0.097 0.000 1.191 477 L HN 0.912 nan 8.230 nan 0.000 0.431 478 T N -0.616 113.973 114.554 0.058 0.000 3.044 478 T HA 0.184 4.513 4.350 -0.036 0.000 0.255 478 T C 0.903 175.635 174.700 0.053 0.000 1.073 478 T CA -0.007 62.125 62.100 0.053 0.000 1.125 478 T CB 0.341 69.235 68.868 0.043 0.000 0.908 478 T HN 0.350 nan 8.240 nan 0.000 0.480 479 R N 0.745 121.277 120.500 0.052 0.000 2.795 479 R HA 0.464 4.783 4.340 -0.036 0.000 0.275 479 R C 0.501 176.837 176.300 0.058 0.000 0.981 479 R CA -0.615 55.516 56.100 0.052 0.000 0.917 479 R CB 1.358 31.683 30.300 0.041 0.000 1.202 479 R HN 0.212 nan 8.270 nan 0.000 0.469 480 E N 0.561 120.802 120.200 0.067 0.000 2.160 480 E HA -0.179 4.149 4.350 -0.036 0.000 0.195 480 E C 1.341 177.978 176.600 0.062 0.000 0.991 480 E CA 1.931 58.380 56.400 0.082 0.000 0.810 480 E CB 0.137 29.896 29.700 0.097 0.000 0.742 480 E HN 0.644 nan 8.360 nan 0.000 0.466 481 S N 1.163 116.890 115.700 0.045 0.000 2.469 481 S HA -0.180 4.268 4.470 -0.036 0.000 0.238 481 S C 1.519 176.124 174.600 0.008 0.000 0.998 481 S CA 1.306 59.522 58.200 0.027 0.000 0.957 481 S CB -0.316 62.899 63.200 0.024 0.000 0.764 481 S HN 0.459 nan 8.310 nan 0.000 0.514 482 E N 0.151 120.360 120.200 0.016 0.000 2.624 482 E HA 0.556 4.884 4.350 -0.036 0.000 0.210 482 E C 0.670 177.274 176.600 0.006 0.000 0.997 482 E CA 0.123 56.527 56.400 0.007 0.000 0.999 482 E CB 0.468 30.181 29.700 0.021 0.000 1.040 482 E HN 0.473 nan 8.360 nan 0.000 0.469 483 A N 1.022 123.843 122.820 0.003 0.000 2.610 483 A HA 0.341 4.639 4.320 -0.036 0.000 0.286 483 A C 0.034 177.562 177.584 -0.093 0.000 1.306 483 A CA -0.271 51.768 52.037 0.004 0.000 0.942 483 A CB 0.291 19.332 19.000 0.069 0.000 1.112 483 A HN 0.116 nan 8.150 nan 0.000 0.527 484 V N 2.693 122.480 119.914 -0.211 0.000 2.275 484 V HA 0.392 4.490 4.120 -0.036 0.000 0.272 484 V C -0.476 175.387 176.094 -0.385 0.000 1.028 484 V CA -0.736 61.243 62.300 -0.535 0.000 0.810 484 V CB 0.583 32.004 31.823 -0.670 0.000 1.043 484 V HN 0.494 nan 8.190 nan 0.000 0.453 485 R N 3.255 123.546 120.500 -0.348 0.000 2.787 485 R HA 0.668 4.986 4.340 -0.036 0.000 0.271 485 R C -0.128 176.124 176.300 -0.080 0.000 0.993 485 R CA -0.711 55.319 56.100 -0.117 0.000 0.993 485 R CB 2.043 32.393 30.300 0.083 0.000 1.155 485 R HN 0.872 nan 8.270 nan 0.000 0.486 486 E N 0.290 120.546 120.200 0.094 0.000 2.263 486 E HA 0.704 5.032 4.350 -0.036 0.000 0.264 486 E C -0.830 175.969 176.600 0.332 0.000 0.923 486 E CA -1.101 55.379 56.400 0.134 0.000 0.802 486 E CB 1.742 31.480 29.700 0.063 0.000 1.228 486 E HN 0.539 nan 8.360 nan 0.000 0.417 487 A N 1.321 124.340 122.820 0.331 0.000 2.313 487 A HA 0.290 4.589 4.320 -0.036 0.000 0.261 487 A C -0.274 177.408 177.584 0.164 0.000 1.090 487 A CA -0.167 52.089 52.037 0.366 0.000 0.807 487 A CB 0.423 19.630 19.000 0.344 0.000 1.055 487 A HN 0.721 nan 8.150 nan 0.000 0.492 488 D N -0.317 120.128 120.400 0.075 0.000 2.584 488 D HA 0.397 5.015 4.640 -0.036 0.000 0.238 488 D C 0.686 176.981 176.300 -0.008 0.000 1.302 488 D CA 0.290 54.303 54.000 0.021 0.000 0.884 488 D CB 0.686 41.479 40.800 -0.011 0.000 1.456 488 D HN 0.482 nan 8.370 nan 0.000 0.528 489 A N 2.619 125.453 122.820 0.024 0.000 1.940 489 A HA -0.209 4.090 4.320 -0.036 0.000 0.219 489 A C 1.984 179.561 177.584 -0.012 0.000 1.176 489 A CA 1.301 53.347 52.037 0.016 0.000 0.631 489 A CB -0.078 18.945 19.000 0.040 0.000 0.814 489 A HN 0.461 nan 8.150 nan 0.000 0.446 490 R N -0.174 120.319 120.500 -0.012 0.000 2.105 490 R HA -0.092 4.226 4.340 -0.036 0.000 0.239 490 R C 1.949 178.222 176.300 -0.044 0.000 1.135 490 R CA 1.829 57.914 56.100 -0.025 0.000 0.967 490 R CB -0.875 29.414 30.300 -0.018 0.000 0.861 490 R HN 0.667 nan 8.270 nan 0.000 0.442 491 T N -2.936 111.588 114.554 -0.050 0.000 3.163 491 T HA 0.257 4.585 4.350 -0.036 0.000 0.252 491 T C 1.117 175.766 174.700 -0.085 0.000 1.056 491 T CA 0.071 62.132 62.100 -0.065 0.000 0.947 491 T CB 0.451 69.282 68.868 -0.062 0.000 1.016 491 T HN 0.375 nan 8.240 nan 0.000 0.554 492 G N 2.428 111.181 108.800 -0.078 0.000 2.341 492 G HA2 -0.345 3.593 3.960 -0.036 0.000 0.292 492 G HA3 -0.345 3.593 3.960 -0.036 0.000 0.292 492 G C 0.024 174.835 174.900 -0.149 0.000 1.021 492 G CA 0.246 45.297 45.100 -0.081 0.000 0.905 492 G HN 0.920 nan 8.290 nan 0.000 0.508 493 R N 0.490 120.863 120.500 -0.211 0.000 2.522 493 R HA 0.438 4.756 4.340 -0.036 0.000 0.284 493 R C 0.844 176.762 176.300 -0.637 0.000 1.032 493 R CA 0.916 56.768 56.100 -0.414 0.000 1.049 493 R CB 0.253 30.293 30.300 -0.434 0.000 0.956 493 R HN 0.467 nan 8.270 nan 0.000 0.422 494 T N 0.668 114.767 114.554 -0.760 0.000 2.838 494 T HA 0.534 4.863 4.350 -0.036 0.000 0.292 494 T C -1.019 173.163 174.700 -0.864 0.000 1.113 494 T CA -0.957 60.703 62.100 -0.734 0.000 1.008 494 T CB 1.256 69.846 68.868 -0.463 0.000 1.259 494 T HN 0.567 nan 8.240 nan 0.000 0.520 495 W N 0.670 121.908 121.300 -0.102 0.000 2.781 495 W HA 0.584 5.222 4.660 -0.036 0.000 0.333 495 W C -1.141 175.353 176.519 -0.042 0.000 1.047 495 W CA -1.168 56.146 57.345 -0.052 0.000 1.236 495 W CB 1.630 31.069 29.460 -0.035 0.000 1.394 495 W HN 0.585 nan 8.180 nan 0.000 0.466 496 I N 4.430 125.094 120.570 0.156 0.000 2.354 496 I HA 0.289 4.437 4.170 -0.036 0.000 0.292 496 I C -0.331 175.871 176.117 0.141 0.000 0.989 496 I CA -0.996 60.374 61.300 0.117 0.000 1.188 496 I CB 1.313 39.350 38.000 0.062 0.000 1.342 496 I HN 0.077 nan 8.210 nan 0.000 0.457 497 I N 6.105 126.763 120.570 0.147 0.000 2.312 497 I HA 0.266 4.415 4.170 -0.036 0.000 0.290 497 I C 0.386 176.583 176.117 0.132 0.000 1.008 497 I CA 0.317 61.695 61.300 0.131 0.000 1.226 497 I CB 1.209 39.277 38.000 0.113 0.000 1.371 497 I HN 0.594 nan 8.210 nan 0.000 0.468 498 S N 4.152 119.919 115.700 0.112 0.000 2.677 498 S HA 0.605 5.053 4.470 -0.036 0.000 0.304 498 S C -0.682 173.973 174.600 0.092 0.000 1.108 498 S CA -0.917 57.349 58.200 0.109 0.000 0.944 498 S CB 1.983 65.234 63.200 0.086 0.000 1.127 498 S HN 0.508 nan 8.310 nan 0.000 0.511 499 N N 1.730 120.479 118.700 0.082 0.000 2.518 499 N HA 0.373 5.092 4.740 -0.036 0.000 0.254 499 N C -2.028 173.506 175.510 0.040 0.000 0.979 499 N CA -2.295 50.790 53.050 0.059 0.000 0.930 499 N CB 1.707 40.224 38.487 0.050 0.000 1.152 499 N HN 0.392 nan 8.380 nan 0.000 0.505 500 P HA -0.055 nan 4.420 nan 0.000 0.228 500 P C 0.098 177.409 177.300 0.018 0.000 1.151 500 P CA 1.123 64.240 63.100 0.029 0.000 0.770 500 P CB 0.563 32.284 31.700 0.034 0.000 0.786 501 E N -0.902 119.308 120.200 0.016 0.000 2.481 501 E HA 0.122 4.450 4.350 -0.036 0.000 0.198 501 E C 0.280 176.875 176.600 -0.008 0.000 1.027 501 E CA -0.051 56.353 56.400 0.007 0.000 0.900 501 E CB 0.385 30.093 29.700 0.013 0.000 0.993 501 E HN 0.007 nan 8.360 nan 0.000 0.482 502 S N 1.129 116.819 115.700 -0.016 0.000 2.707 502 S HA 0.325 4.774 4.470 -0.036 0.000 0.312 502 S C -0.932 173.635 174.600 -0.055 0.000 1.116 502 S CA -0.707 57.466 58.200 -0.045 0.000 1.078 502 S CB 0.424 63.587 63.200 -0.061 0.000 0.997 502 S HN -0.042 nan 8.310 nan 0.000 0.477 503 K N 2.886 123.250 120.400 -0.059 0.000 2.208 503 K HA 0.436 4.735 4.320 -0.036 0.000 0.247 503 K C -0.064 176.486 176.600 -0.083 0.000 0.953 503 K CA -1.036 55.217 56.287 -0.058 0.000 0.837 503 K CB 0.992 33.471 32.500 -0.035 0.000 1.131 503 K HN 0.746 nan 8.250 nan 0.000 0.431 504 N N 0.405 119.057 118.700 -0.081 0.000 2.364 504 N HA 0.023 4.741 4.740 -0.036 0.000 0.264 504 N C 0.683 176.161 175.510 -0.054 0.000 1.263 504 N CA -0.474 52.524 53.050 -0.087 0.000 0.959 504 N CB 0.310 38.751 38.487 -0.076 0.000 1.204 504 N HN 0.578 nan 8.380 nan 0.000 0.550 505 R N -0.655 119.819 120.500 -0.043 0.000 2.293 505 R HA -0.007 4.311 4.340 -0.036 0.000 0.219 505 R C 0.475 176.761 176.300 -0.022 0.000 1.091 505 R CA 1.121 57.203 56.100 -0.029 0.000 1.004 505 R CB -0.715 29.572 30.300 -0.021 0.000 0.865 505 R HN 0.574 nan 8.270 nan 0.000 0.469 506 L N 1.034 122.244 121.223 -0.022 0.000 2.653 506 L HA 0.155 4.474 4.340 -0.036 0.000 0.231 506 L C 0.232 177.091 176.870 -0.017 0.000 1.153 506 L CA -0.055 54.775 54.840 -0.017 0.000 0.933 506 L CB -0.612 41.439 42.059 -0.014 0.000 1.175 506 L HN 0.443 nan 8.230 nan 0.000 0.473 507 N N 1.293 119.980 118.700 -0.021 0.000 2.747 507 N HA -0.155 4.563 4.740 -0.036 0.000 0.249 507 N C -0.412 175.088 175.510 -0.016 0.000 1.107 507 N CA 0.175 53.214 53.050 -0.019 0.000 0.707 507 N CB -0.010 38.468 38.487 -0.014 0.000 1.054 507 N HN 0.319 nan 8.380 nan 0.000 0.555 508 E N 0.206 120.395 120.200 -0.018 0.000 2.199 508 E HA 0.402 4.730 4.350 -0.036 0.000 0.269 508 E C -2.494 174.098 176.600 -0.014 0.000 0.899 508 E CA -1.769 54.624 56.400 -0.012 0.000 0.772 508 E CB 1.579 31.274 29.700 -0.008 0.000 1.155 508 E HN 0.114 nan 8.360 nan 0.000 0.408 509 P HA -0.073 nan 4.420 nan 0.000 0.262 509 P C -0.056 177.252 177.300 0.013 0.000 1.182 509 P CA 0.004 63.107 63.100 0.005 0.000 0.761 509 P CB 0.350 32.063 31.700 0.021 0.000 0.795 510 V N 1.795 121.710 119.914 0.003 0.000 2.924 510 V HA 0.770 4.868 4.120 -0.036 0.000 0.305 510 V C 0.586 176.777 176.094 0.161 0.000 1.073 510 V CA 0.195 62.516 62.300 0.035 0.000 1.098 510 V CB 0.462 32.229 31.823 -0.093 0.000 1.000 510 V HN 0.733 nan 8.190 nan 0.000 0.484 511 G N 1.997 110.936 108.800 0.232 0.000 2.600 511 G HA2 0.604 4.542 3.960 -0.036 0.000 0.293 511 G HA3 0.604 4.542 3.960 -0.036 0.000 0.293 511 G C -2.347 172.665 174.900 0.187 0.000 1.408 511 G CA -0.734 44.499 45.100 0.223 0.000 0.782 511 G HN 0.730 nan 8.290 nan 0.000 0.482 512 Y N -0.086 120.227 120.300 0.021 0.000 2.457 512 Y HA 0.599 5.127 4.550 -0.036 0.000 0.343 512 Y C 0.081 176.007 175.900 0.043 0.000 0.994 512 Y CA -0.791 57.308 58.100 -0.002 0.000 1.031 512 Y CB 2.759 41.181 38.460 -0.063 0.000 1.246 512 Y HN 0.508 nan 8.280 nan 0.000 0.449 513 K N 4.161 124.629 120.400 0.113 0.000 2.235 513 K HA 0.519 4.817 4.320 -0.036 0.000 0.266 513 K C -1.613 175.046 176.600 0.098 0.000 0.980 513 K CA -0.845 55.476 56.287 0.057 0.000 0.849 513 K CB 0.921 33.397 32.500 -0.039 0.000 1.098 513 K HN 0.616 nan 8.250 nan 0.000 0.445 514 L N 5.140 126.409 121.223 0.076 0.000 2.265 514 L HA 0.294 4.612 4.340 -0.036 0.000 0.288 514 L C -1.384 175.495 176.870 0.016 0.000 1.058 514 L CA 0.070 54.990 54.840 0.133 0.000 0.809 514 L CB 0.429 42.567 42.059 0.132 0.000 1.179 514 L HN 0.650 nan 8.230 nan 0.000 0.429 515 H N 4.452 123.627 119.070 0.175 0.000 2.541 515 H HA 0.723 5.257 4.556 -0.036 0.000 0.316 515 H C -0.008 175.454 175.328 0.222 0.000 1.043 515 H CA 0.070 56.217 56.048 0.166 0.000 1.232 515 H CB 1.318 31.163 29.762 0.139 0.000 1.406 515 H HN 0.890 nan 8.280 nan 0.000 0.469 516 A N 2.232 125.249 122.820 0.329 0.000 2.252 516 A HA 0.233 4.531 4.320 -0.036 0.000 0.305 516 A C 0.343 178.221 177.584 0.490 0.000 1.097 516 A CA -0.557 51.715 52.037 0.392 0.000 0.849 516 A CB 0.539 19.815 19.000 0.459 0.000 1.142 516 A HN 1.025 nan 8.150 nan 0.000 0.499 517 H N 0.478 119.728 119.070 0.300 0.000 2.548 517 H HA 0.022 4.556 4.556 -0.036 0.000 0.265 517 H C -0.190 175.253 175.328 0.191 0.000 0.969 517 H CA 0.157 56.330 56.048 0.208 0.000 1.155 517 H CB 0.191 30.065 29.762 0.187 0.000 1.394 517 H HN 0.735 nan 8.280 nan 0.000 0.570 518 N N 2.167 121.083 118.700 0.360 0.000 2.740 518 N HA -0.159 4.559 4.740 -0.036 0.000 0.248 518 N C -0.607 175.027 175.510 0.206 0.000 1.062 518 N CA 0.552 53.760 53.050 0.264 0.000 0.704 518 N CB -0.848 37.755 38.487 0.193 0.000 0.968 518 N HN 0.499 nan 8.380 nan 0.000 0.547 519 Q N -0.195 119.740 119.800 0.225 0.000 2.317 519 Q HA 0.420 4.738 4.340 -0.036 0.000 0.229 519 Q C -1.796 174.274 176.000 0.117 0.000 0.984 519 Q CA -1.192 54.708 55.803 0.161 0.000 0.911 519 Q CB 0.175 29.018 28.738 0.176 0.000 1.217 519 Q HN 0.131 nan 8.270 nan 0.000 0.501 520 P HA 0.008 nan 4.420 nan 0.000 0.269 520 P C -0.232 177.077 177.300 0.015 0.000 1.209 520 P CA 0.244 63.368 63.100 0.040 0.000 0.776 520 P CB 0.482 32.192 31.700 0.018 0.000 0.876 521 T N 0.123 114.679 114.554 0.003 0.000 2.891 521 T HA 0.327 4.655 4.350 -0.036 0.000 0.294 521 T C 0.266 174.916 174.700 -0.083 0.000 1.065 521 T CA -0.908 61.171 62.100 -0.034 0.000 0.936 521 T CB 0.035 68.896 68.868 -0.011 0.000 1.415 521 T HN 0.182 nan 8.240 nan 0.000 0.572 522 L N 1.026 122.172 121.223 -0.127 0.000 2.601 522 L HA 0.139 4.457 4.340 -0.036 0.000 0.277 522 L C 0.769 177.582 176.870 -0.096 0.000 1.219 522 L CA 0.274 55.023 54.840 -0.152 0.000 0.915 522 L CB -0.470 41.475 42.059 -0.190 0.000 1.160 522 L HN 0.642 nan 8.230 nan 0.000 0.494 523 L N 5.027 126.193 121.223 -0.095 0.000 2.416 523 L HA 0.239 4.558 4.340 -0.036 0.000 0.216 523 L C 1.425 178.273 176.870 -0.037 0.000 1.098 523 L CA 0.216 55.024 54.840 -0.053 0.000 0.840 523 L CB -0.519 41.512 42.059 -0.046 0.000 0.981 523 L HN 0.837 nan 8.230 nan 0.000 0.462 524 A N 0.649 123.437 122.820 -0.053 0.000 2.547 524 A HA -0.100 4.199 4.320 -0.036 0.000 0.233 524 A C 0.294 177.867 177.584 -0.018 0.000 1.067 524 A CA -0.071 51.947 52.037 -0.033 0.000 0.763 524 A CB -0.048 18.927 19.000 -0.043 0.000 1.007 524 A HN 0.267 nan 8.150 nan 0.000 0.506 525 D N 1.377 121.775 120.400 -0.004 0.000 2.472 525 D HA 0.048 4.666 4.640 -0.036 0.000 0.237 525 D C -1.473 174.827 176.300 -0.001 0.000 1.141 525 D CA -1.012 52.989 54.000 0.002 0.000 0.875 525 D CB 0.813 41.618 40.800 0.008 0.000 1.192 525 D HN 0.154 nan 8.370 nan 0.000 0.450 526 P HA -0.041 nan 4.420 nan 0.000 0.219 526 P C 0.931 178.234 177.300 0.006 0.000 1.146 526 P CA 1.020 64.120 63.100 0.001 0.000 0.808 526 P CB 0.177 31.878 31.700 0.002 0.000 0.779 527 G N -1.101 107.704 108.800 0.009 0.000 3.088 527 G HA2 0.038 3.976 3.960 -0.036 0.000 0.217 527 G HA3 0.038 3.976 3.960 -0.036 0.000 0.217 527 G C 0.397 175.307 174.900 0.017 0.000 1.159 527 G CA 0.039 45.146 45.100 0.012 0.000 0.760 527 G HN 0.356 nan 8.290 nan 0.000 0.550 528 S N -0.508 115.202 115.700 0.017 0.000 2.600 528 S HA 0.282 4.731 4.470 -0.036 0.000 0.265 528 S C 1.573 176.196 174.600 0.038 0.000 1.325 528 S CA 0.429 58.644 58.200 0.025 0.000 1.002 528 S CB 1.679 64.889 63.200 0.018 0.000 0.921 528 S HN 0.072 nan 8.310 nan 0.000 0.554 529 S N 0.499 116.233 115.700 0.057 0.000 2.368 529 S HA -0.125 4.324 4.470 -0.036 0.000 0.224 529 S C 1.656 176.313 174.600 0.096 0.000 1.029 529 S CA 1.024 59.276 58.200 0.086 0.000 0.988 529 S CB -0.786 62.485 63.200 0.120 0.000 0.838 529 S HN 0.694 nan 8.310 nan 0.000 0.462 530 I N 2.054 122.676 120.570 0.087 0.000 2.361 530 I HA 0.038 4.186 4.170 -0.036 0.000 0.251 530 I C 2.296 178.438 176.117 0.042 0.000 1.133 530 I CA 1.235 62.587 61.300 0.087 0.000 1.413 530 I CB -0.846 37.170 38.000 0.027 0.000 1.073 530 I HN 0.323 nan 8.210 nan 0.000 0.424 531 A N 0.397 123.225 122.820 0.013 0.000 2.015 531 A HA -0.164 4.134 4.320 -0.036 0.000 0.219 531 A C 2.411 180.001 177.584 0.011 0.000 1.163 531 A CA 1.465 53.496 52.037 -0.009 0.000 0.646 531 A CB -0.524 18.472 19.000 -0.008 0.000 0.806 531 A HN 0.475 nan 8.150 nan 0.000 0.448 532 R N -0.925 119.594 120.500 0.031 0.000 2.080 532 R HA 0.064 4.383 4.340 -0.036 0.000 0.222 532 R C 2.259 178.584 176.300 0.042 0.000 1.107 532 R CA 0.999 57.115 56.100 0.027 0.000 0.980 532 R CB -0.227 30.084 30.300 0.019 0.000 0.879 532 R HN 0.424 nan 8.270 nan 0.000 0.439 533 R N 0.521 121.075 120.500 0.090 0.000 2.148 533 R HA 0.076 4.394 4.340 -0.036 0.000 0.223 533 R C 0.952 177.386 176.300 0.223 0.000 1.088 533 R CA 1.084 57.261 56.100 0.127 0.000 0.985 533 R CB 0.233 30.645 30.300 0.187 0.000 0.880 533 R HN 0.070 nan 8.270 nan 0.000 0.451 534 A N 0.161 123.114 122.820 0.220 0.000 2.985 534 A HA 0.490 4.788 4.320 -0.036 0.000 0.303 534 A C 1.165 178.665 177.584 -0.141 0.000 1.048 534 A CA -0.083 52.059 52.037 0.174 0.000 1.016 534 A CB 0.301 19.312 19.000 0.018 0.000 1.118 534 A HN 0.234 nan 8.150 nan 0.000 0.529 535 A N 0.267 123.077 122.820 -0.017 0.000 2.024 535 A HA -0.072 4.226 4.320 -0.036 0.000 0.220 535 A C 1.780 179.359 177.584 -0.007 0.000 1.164 535 A CA 1.825 53.856 52.037 -0.011 0.000 0.643 535 A CB -0.958 18.060 19.000 0.030 0.000 0.806 535 A HN 1.366 nan 8.150 nan 0.000 0.451 536 F N -0.273 119.560 119.950 -0.196 0.000 2.202 536 F HA 0.040 4.545 4.527 -0.037 0.000 0.301 536 F C 2.005 177.850 175.800 0.075 0.000 1.082 536 F CA 0.815 58.604 58.000 -0.352 0.000 1.313 536 F CB -0.879 37.802 39.000 -0.531 0.000 1.024 536 F HN 0.142 nan 8.300 nan 0.000 0.495 537 A N 0.453 122.555 122.820 -1.197 0.000 2.235 537 A HA 0.005 4.303 4.320 -0.036 0.000 0.208 537 A C 2.060 179.483 177.584 -0.269 0.000 1.172 537 A CA 1.255 52.793 52.037 -0.832 0.000 0.786 537 A CB -1.487 16.867 19.000 -1.076 0.000 0.804 537 A HN 0.582 nan 8.150 nan 0.000 0.479 538 T N -3.606 110.896 114.554 -0.087 0.000 3.065 538 T HA 0.206 4.534 4.350 -0.036 0.000 0.252 538 T C 0.559 175.280 174.700 0.035 0.000 1.099 538 T CA 0.155 62.248 62.100 -0.011 0.000 1.063 538 T CB 0.126 69.003 68.868 0.016 0.000 0.948 538 T HN 0.106 nan 8.240 nan 0.000 0.506 539 K N 1.164 121.643 120.400 0.130 0.000 2.426 539 K HA 0.389 4.687 4.320 -0.036 0.000 0.251 539 K C -0.538 176.128 176.600 0.111 0.000 0.941 539 K CA -0.476 55.808 56.287 -0.005 0.000 0.808 539 K CB 2.172 34.424 32.500 -0.414 0.000 1.265 539 K HN -0.044 nan 8.250 nan 0.000 0.432 540 D N 0.470 120.892 120.400 0.037 0.000 2.183 540 D HA -0.034 4.584 4.640 -0.036 0.000 0.203 540 D C 0.060 176.410 176.300 0.084 0.000 0.969 540 D CA 0.877 54.942 54.000 0.108 0.000 0.842 540 D CB 0.311 41.218 40.800 0.179 0.000 0.957 540 D HN 0.155 nan 8.370 nan 0.000 0.484 541 L N -0.247 120.873 121.223 -0.171 0.000 2.493 541 L HA 0.440 4.758 4.340 -0.036 0.000 0.265 541 L C -1.972 174.781 176.870 -0.195 0.000 0.954 541 L CA -0.692 54.014 54.840 -0.223 0.000 0.844 541 L CB 1.458 42.932 42.059 -0.975 0.000 1.302 541 L HN -0.129 nan 8.230 nan 0.000 0.405 542 W N 4.230 125.514 121.300 -0.026 0.000 2.761 542 W HA 0.767 5.406 4.660 -0.036 0.000 0.340 542 W C -1.132 175.484 176.519 0.162 0.000 1.072 542 W CA -0.858 56.510 57.345 0.038 0.000 1.215 542 W CB 1.957 31.418 29.460 0.002 0.000 1.420 542 W HN 0.130 nan 8.180 nan 0.000 0.519 543 V N 2.551 122.674 119.914 0.349 0.000 2.483 543 V HA 0.695 4.793 4.120 -0.036 0.000 0.297 543 V C -0.095 176.185 176.094 0.311 0.000 1.027 543 V CA -0.815 61.673 62.300 0.313 0.000 0.855 543 V CB 1.382 33.307 31.823 0.169 0.000 0.995 543 V HN 0.599 nan 8.190 nan 0.000 0.424 544 T N 1.606 116.390 114.554 0.383 0.000 2.916 544 T HA 0.763 5.091 4.350 -0.036 0.000 0.292 544 T C -0.465 174.365 174.700 0.216 0.000 1.064 544 T CA -0.964 61.314 62.100 0.295 0.000 1.011 544 T CB 2.157 71.240 68.868 0.358 0.000 1.152 544 T HN 0.520 nan 8.240 nan 0.000 0.510 545 R N 0.790 121.372 120.500 0.138 0.000 2.390 545 R HA 0.347 4.665 4.340 -0.036 0.000 0.291 545 R C -0.850 175.494 176.300 0.074 0.000 1.070 545 R CA -0.870 55.293 56.100 0.105 0.000 1.014 545 R CB -0.434 29.905 30.300 0.065 0.000 1.007 545 R HN 0.776 nan 8.270 nan 0.000 0.466 546 Y N 3.100 123.394 120.300 -0.010 0.000 2.712 546 Y HA 0.293 4.821 4.550 -0.036 0.000 0.333 546 Y C -0.746 175.098 175.900 -0.093 0.000 1.225 546 Y CA 0.931 58.993 58.100 -0.063 0.000 1.499 546 Y CB 0.467 38.859 38.460 -0.113 0.000 1.288 546 Y HN 0.742 nan 8.280 nan 0.000 0.575 547 A N 5.344 127.470 122.820 -1.156 0.000 2.488 547 A HA 0.293 4.591 4.320 -0.036 0.000 0.295 547 A C 0.183 177.159 177.584 -1.013 0.000 1.045 547 A CA -0.635 50.893 52.037 -0.849 0.000 0.703 547 A CB 0.881 19.601 19.000 -0.466 0.000 1.271 547 A HN 0.772 nan 8.150 nan 0.000 0.400 548 D N 1.197 121.217 120.400 -0.632 0.000 2.149 548 D HA -0.185 4.433 4.640 -0.036 0.000 0.194 548 D C 1.081 177.208 176.300 -0.290 0.000 1.001 548 D CA 2.376 56.176 54.000 -0.334 0.000 0.849 548 D CB 0.076 40.807 40.800 -0.115 0.000 0.939 548 D HN 0.777 nan 8.370 nan 0.000 0.449 549 D N -0.032 120.199 120.400 -0.282 0.000 2.339 549 D HA -0.057 4.562 4.640 -0.036 0.000 0.217 549 D C -0.037 176.079 176.300 -0.307 0.000 1.050 549 D CA 0.076 53.940 54.000 -0.226 0.000 0.856 549 D CB -0.631 40.085 40.800 -0.139 0.000 0.922 549 D HN 0.158 nan 8.370 nan 0.000 0.518 550 E N 0.707 120.625 120.200 -0.470 0.000 2.026 550 E HA 0.285 4.614 4.350 -0.036 0.000 0.253 550 E C 0.592 176.998 176.600 -0.323 0.000 1.056 550 E CA -0.256 55.748 56.400 -0.660 0.000 0.927 550 E CB 0.807 29.833 29.700 -1.124 0.000 1.172 550 E HN 0.192 nan 8.360 nan 0.000 0.445 551 R N 1.112 121.404 120.500 -0.345 0.000 2.123 551 R HA 0.089 4.408 4.340 -0.036 0.000 0.209 551 R C 0.009 175.967 176.300 -0.570 0.000 1.078 551 R CA 0.699 56.425 56.100 -0.624 0.000 1.028 551 R CB 0.303 29.883 30.300 -1.199 0.000 0.939 551 R HN 0.274 nan 8.270 nan 0.000 0.463 552 Y N 0.434 120.840 120.300 0.177 0.000 2.446 552 Y HA 0.298 4.827 4.550 -0.035 0.000 0.345 552 Y C -1.752 174.138 175.900 -0.017 0.000 0.984 552 Y CA -3.296 54.871 58.100 0.112 0.000 1.058 552 Y CB 1.068 39.484 38.460 -0.073 0.000 1.220 552 Y HN -0.152 nan 8.280 nan 0.000 0.455 553 P HA -0.086 nan 4.420 nan 0.000 0.230 553 P C 0.570 177.583 177.300 -0.478 0.000 1.158 553 P CA 1.368 64.128 63.100 -0.567 0.000 0.769 553 P CB 0.142 31.433 31.700 -0.682 0.000 0.807 554 T N -4.890 109.489 114.554 -0.291 0.000 3.084 554 T HA 0.512 4.840 4.350 -0.036 0.000 0.270 554 T C 0.863 175.407 174.700 -0.260 0.000 1.008 554 T CA 0.085 62.038 62.100 -0.244 0.000 0.900 554 T CB 0.009 68.757 68.868 -0.199 0.000 1.084 554 T HN 0.326 nan 8.240 nan 0.000 0.538 555 G N 1.481 110.174 108.800 -0.179 0.000 2.756 555 G HA2 -0.161 3.778 3.960 -0.036 0.000 0.678 555 G HA3 -0.161 3.778 3.960 -0.036 0.000 0.678 555 G C -0.201 174.656 174.900 -0.072 0.000 1.349 555 G CA -0.126 44.890 45.100 -0.139 0.000 0.847 555 G HN 0.164 nan 8.290 nan 0.000 0.548 556 D N -0.550 119.751 120.400 -0.164 0.000 2.162 556 D HA 0.054 4.672 4.640 -0.036 0.000 0.203 556 D C 0.988 176.804 176.300 -0.805 0.000 0.967 556 D CA 1.462 55.203 54.000 -0.432 0.000 0.840 556 D CB -0.003 40.372 40.800 -0.709 0.000 0.972 556 D HN 0.236 nan 8.370 nan 0.000 0.482 557 F N 0.559 120.401 119.950 -0.181 0.000 2.366 557 F HA 0.206 4.711 4.527 -0.037 0.000 0.357 557 F C 1.224 176.905 175.800 -0.200 0.000 1.107 557 F CA -0.567 57.311 58.000 -0.203 0.000 1.208 557 F CB 0.993 39.859 39.000 -0.224 0.000 1.464 557 F HN -0.343 nan 8.300 nan 0.000 0.501 558 V N -0.105 119.727 119.914 -0.137 0.000 2.358 558 V HA -0.243 3.855 4.120 -0.036 0.000 0.246 558 V C 1.355 177.362 176.094 -0.145 0.000 1.047 558 V CA 0.987 63.136 62.300 -0.251 0.000 1.035 558 V CB -0.544 31.011 31.823 -0.447 0.000 0.658 558 V HN 0.654 nan 8.190 nan 0.000 0.452 559 N N 1.211 119.888 118.700 -0.037 0.000 2.315 559 N HA -0.098 4.620 4.740 -0.036 0.000 0.270 559 N C 0.578 176.129 175.510 0.067 0.000 1.329 559 N CA 0.784 53.854 53.050 0.033 0.000 0.860 559 N CB -0.290 38.222 38.487 0.040 0.000 1.095 559 N HN 0.483 nan 8.380 nan 0.000 0.487 560 Q N -0.268 119.593 119.800 0.102 0.000 2.480 560 Q HA -0.318 4.000 4.340 -0.036 0.000 0.265 560 Q C -0.617 175.488 176.000 0.175 0.000 1.072 560 Q CA 0.857 56.760 55.803 0.166 0.000 1.018 560 Q CB -1.563 27.255 28.738 0.133 0.000 1.433 560 Q HN 0.718 nan 8.270 nan 0.000 0.513 561 H N -0.088 118.970 119.070 -0.020 0.000 2.525 561 H HA 0.183 4.717 4.556 -0.036 0.000 0.339 561 H C 1.270 176.412 175.328 -0.311 0.000 1.109 561 H CA 0.804 56.761 56.048 -0.152 0.000 1.352 561 H CB 1.114 30.785 29.762 -0.151 0.000 1.461 561 H HN 0.267 nan 8.280 nan 0.000 0.533 562 S N 2.625 117.562 115.700 -1.272 0.000 2.419 562 S HA 0.069 4.518 4.470 -0.036 0.000 0.233 562 S C 1.049 175.370 174.600 -0.466 0.000 1.016 562 S CA 0.514 57.961 58.200 -1.255 0.000 0.974 562 S CB -0.044 62.273 63.200 -1.472 0.000 0.786 562 S HN 1.061 nan 8.310 nan 0.000 0.492 563 G N -1.204 107.516 108.800 -0.133 0.000 2.392 563 G HA2 0.476 4.415 3.960 -0.036 0.000 0.677 563 G HA3 0.476 4.415 3.960 -0.036 0.000 0.677 563 G C 0.431 175.363 174.900 0.053 0.000 1.334 563 G CA -0.041 45.079 45.100 0.032 0.000 0.961 563 G HN 1.496 nan 8.290 nan 0.000 0.616 564 G N -1.286 107.509 108.800 -0.009 0.000 2.234 564 G HA2 0.208 4.146 3.960 -0.036 0.000 0.260 564 G HA3 0.208 4.146 3.960 -0.036 0.000 0.260 564 G C 1.240 176.054 174.900 -0.142 0.000 0.987 564 G CA 1.442 46.509 45.100 -0.056 0.000 0.625 564 G HN 2.569 nan 8.290 nan 0.000 0.532 565 A N -0.090 122.622 122.820 -0.180 0.000 2.406 565 A HA 0.783 5.082 4.320 -0.036 0.000 0.243 565 A C 1.902 179.207 177.584 -0.464 0.000 1.082 565 A CA 1.970 53.796 52.037 -0.352 0.000 0.786 565 A CB 0.071 18.736 19.000 -0.558 0.000 1.029 565 A HN 2.536 nan 8.150 nan 0.000 0.495 566 G N -0.737 107.654 108.800 -0.681 0.000 2.498 566 G HA2 -0.219 3.719 3.960 -0.036 0.000 0.251 566 G HA3 -0.219 3.719 3.960 -0.036 0.000 0.251 566 G C 0.848 174.773 174.900 -1.626 0.000 1.170 566 G CA 0.221 44.657 45.100 -1.107 0.000 0.944 566 G HN 1.164 nan 8.290 nan 0.000 0.567 567 L N 1.751 122.222 121.223 -1.253 0.000 2.034 567 L HA -0.135 4.183 4.340 -0.036 0.000 0.217 567 L C 0.304 176.819 176.870 -0.593 0.000 1.077 567 L CA 2.892 57.099 54.840 -1.055 0.000 0.769 567 L CB -1.296 39.897 42.059 -1.444 0.000 0.890 567 L HN 0.434 nan 8.230 nan 0.000 0.435 568 P HA -0.117 nan 4.420 nan 0.000 0.216 568 P C 1.684 178.900 177.300 -0.139 0.000 1.150 568 P CA 1.381 64.409 63.100 -0.120 0.000 0.837 568 P CB 0.099 31.748 31.700 -0.084 0.000 0.786 569 S N -1.852 113.676 115.700 -0.286 0.000 2.371 569 S HA -0.133 4.315 4.470 -0.036 0.000 0.224 569 S C 1.701 176.272 174.600 -0.048 0.000 1.029 569 S CA 1.054 59.146 58.200 -0.180 0.000 0.978 569 S CB -1.026 62.036 63.200 -0.230 0.000 0.833 569 S HN 0.114 nan 8.310 nan 0.000 0.466 570 Y N 1.658 121.880 120.300 -0.131 0.000 2.145 570 Y HA 0.023 4.551 4.550 -0.036 0.000 0.286 570 Y C 2.293 178.164 175.900 -0.048 0.000 1.145 570 Y CA -0.396 57.636 58.100 -0.113 0.000 1.148 570 Y CB -1.052 37.294 38.460 -0.189 0.000 0.981 570 Y HN 0.179 nan 8.280 nan 0.000 0.507 571 I N 0.135 120.780 120.570 0.126 0.000 2.335 571 I HA -0.253 3.895 4.170 -0.036 0.000 0.251 571 I C 2.406 178.575 176.117 0.086 0.000 1.129 571 I CA 1.414 62.791 61.300 0.128 0.000 1.402 571 I CB -1.592 36.522 38.000 0.190 0.000 1.069 571 I HN 0.158 nan 8.210 nan 0.000 0.424 572 A N 0.131 122.987 122.820 0.061 0.000 2.125 572 A HA -0.200 4.099 4.320 -0.036 0.000 0.219 572 A C 2.118 179.727 177.584 0.041 0.000 1.156 572 A CA 1.016 53.078 52.037 0.041 0.000 0.671 572 A CB -0.540 18.473 19.000 0.022 0.000 0.794 572 A HN 0.546 nan 8.150 nan 0.000 0.459 573 Q N -1.238 118.593 119.800 0.052 0.000 2.369 573 Q HA -0.067 4.251 4.340 -0.036 0.000 0.206 573 Q C 0.054 176.078 176.000 0.040 0.000 0.963 573 Q CA 0.409 56.237 55.803 0.042 0.000 0.894 573 Q CB -0.017 28.747 28.738 0.043 0.000 0.965 573 Q HN 0.589 nan 8.270 nan 0.000 0.475 574 D N 1.054 121.483 120.400 0.048 0.000 2.697 574 D HA -0.175 4.443 4.640 -0.036 0.000 0.235 574 D C -0.926 175.400 176.300 0.043 0.000 1.167 574 D CA 0.620 54.648 54.000 0.045 0.000 0.656 574 D CB -0.550 40.271 40.800 0.035 0.000 1.025 574 D HN 0.215 nan 8.370 nan 0.000 0.419 575 R N 0.421 120.951 120.500 0.049 0.000 2.560 575 R HA 0.349 4.667 4.340 -0.036 0.000 0.270 575 R C 0.217 176.548 176.300 0.051 0.000 1.074 575 R CA -0.623 55.504 56.100 0.045 0.000 1.140 575 R CB 0.443 30.769 30.300 0.043 0.000 1.073 575 R HN 0.177 nan 8.270 nan 0.000 0.527 576 D N 1.842 122.270 120.400 0.047 0.000 2.383 576 D HA 0.038 4.657 4.640 -0.036 0.000 0.252 576 D C 0.483 176.820 176.300 0.061 0.000 1.166 576 D CA -0.059 53.971 54.000 0.050 0.000 0.879 576 D CB 0.559 41.384 40.800 0.042 0.000 1.164 576 D HN 0.558 nan 8.370 nan 0.000 0.462 577 I N -0.175 120.436 120.570 0.068 0.000 4.102 577 I HA 0.347 4.496 4.170 -0.036 0.000 0.325 577 I C 0.051 176.215 176.117 0.077 0.000 1.471 577 I CA -0.528 60.820 61.300 0.081 0.000 1.133 577 I CB 0.479 38.537 38.000 0.096 0.000 1.184 577 I HN 0.091 nan 8.210 nan 0.000 0.451 578 D N 2.899 123.339 120.400 0.065 0.000 2.468 578 D HA 0.382 5.001 4.640 -0.036 0.000 0.218 578 D C 1.058 177.393 176.300 0.058 0.000 1.155 578 D CA 0.516 54.553 54.000 0.061 0.000 0.924 578 D CB 0.415 41.246 40.800 0.052 0.000 1.029 578 D HN 0.549 nan 8.370 nan 0.000 0.515 579 G N 3.247 112.086 108.800 0.065 0.000 2.370 579 G HA2 -0.171 3.767 3.960 -0.036 0.000 0.268 579 G HA3 -0.171 3.767 3.960 -0.036 0.000 0.268 579 G C -0.168 174.773 174.900 0.069 0.000 1.122 579 G CA -0.322 44.816 45.100 0.063 0.000 0.963 579 G HN 0.486 nan 8.290 nan 0.000 0.500 580 Q N -0.736 119.113 119.800 0.081 0.000 2.687 580 Q HA 0.386 4.705 4.340 -0.036 0.000 0.305 580 Q C -1.006 175.060 176.000 0.109 0.000 1.006 580 Q CA -0.925 54.929 55.803 0.085 0.000 0.763 580 Q CB 0.993 29.776 28.738 0.076 0.000 1.506 580 Q HN 0.236 nan 8.270 nan 0.000 0.459 581 D N 1.924 122.383 120.400 0.100 0.000 2.359 581 D HA 0.283 4.902 4.640 -0.036 0.000 0.250 581 D C -0.348 176.033 176.300 0.136 0.000 1.264 581 D CA 0.086 54.146 54.000 0.101 0.000 0.911 581 D CB -0.332 40.435 40.800 -0.055 0.000 1.056 581 D HN 0.434 nan 8.370 nan 0.000 0.499 582 I N 0.003 120.663 120.570 0.150 0.000 3.067 582 I HA 0.685 4.833 4.170 -0.036 0.000 0.312 582 I C -0.945 175.248 176.117 0.127 0.000 1.073 582 I CA -1.081 60.308 61.300 0.148 0.000 1.016 582 I CB 2.200 40.279 38.000 0.131 0.000 1.227 582 I HN -0.095 nan 8.210 nan 0.000 0.456 583 V N 3.401 123.386 119.914 0.118 0.000 2.577 583 V HA 0.407 4.506 4.120 -0.036 0.000 0.303 583 V C -0.189 175.891 176.094 -0.022 0.000 1.042 583 V CA -0.665 61.619 62.300 -0.027 0.000 0.872 583 V CB 1.795 33.541 31.823 -0.129 0.000 0.998 583 V HN 0.564 nan 8.190 nan 0.000 0.423 584 V N 3.721 123.559 119.914 -0.126 0.000 2.427 584 V HA 0.453 4.551 4.120 -0.036 0.000 0.286 584 V C -1.071 174.948 176.094 -0.125 0.000 1.034 584 V CA -0.444 61.849 62.300 -0.013 0.000 0.893 584 V CB 1.532 33.342 31.823 -0.021 0.000 0.982 584 V HN 0.913 nan 8.190 nan 0.000 0.452 585 W N 4.031 125.370 121.300 0.066 0.000 2.362 585 W HA 0.507 5.146 4.660 -0.037 0.000 0.316 585 W C -0.158 176.448 176.519 0.146 0.000 1.024 585 W CA -0.642 56.743 57.345 0.067 0.000 1.270 585 W CB 0.508 29.979 29.460 0.017 0.000 1.273 585 W HN 0.593 nan 8.180 nan 0.000 0.424 586 H N 1.679 120.822 119.070 0.122 0.000 2.504 586 H HA 0.510 5.045 4.556 -0.036 0.000 0.322 586 H C -0.359 175.139 175.328 0.283 0.000 1.055 586 H CA -0.228 55.855 56.048 0.059 0.000 1.231 586 H CB 1.018 30.602 29.762 -0.297 0.000 1.417 586 H HN 0.177 nan 8.280 nan 0.000 0.472 587 T N 7.276 121.821 114.554 -0.015 0.000 2.806 587 T HA 0.430 4.758 4.350 -0.036 0.000 0.290 587 T C -1.032 173.563 174.700 -0.176 0.000 0.966 587 T CA -0.254 61.859 62.100 0.022 0.000 1.060 587 T CB -0.287 68.692 68.868 0.185 0.000 0.927 587 T HN 0.494 nan 8.240 nan 0.000 0.485 588 F N -0.001 119.829 119.950 -0.200 0.000 2.628 588 F HA 0.854 5.360 4.527 -0.036 0.000 0.309 588 F C -0.245 175.631 175.800 0.126 0.000 1.108 588 F CA -1.178 56.764 58.000 -0.097 0.000 0.971 588 F CB 1.071 39.988 39.000 -0.138 0.000 1.279 588 F HN 0.788 nan 8.300 nan 0.000 0.441 589 G N 1.680 110.571 108.800 0.151 0.000 2.600 589 G HA2 0.600 4.539 3.960 -0.036 0.000 0.293 589 G HA3 0.600 4.539 3.960 -0.036 0.000 0.293 589 G C -2.478 172.503 174.900 0.136 0.000 1.408 589 G CA -1.127 44.053 45.100 0.133 0.000 0.782 589 G HN 0.832 nan 8.290 nan 0.000 0.482 590 L N 0.301 121.599 121.223 0.124 0.000 2.334 590 L HA 0.613 4.931 4.340 -0.036 0.000 0.276 590 L C -0.139 176.699 176.870 -0.053 0.000 1.014 590 L CA -0.707 54.174 54.840 0.067 0.000 0.815 590 L CB 2.423 44.548 42.059 0.110 0.000 1.268 590 L HN 0.434 nan 8.230 nan 0.000 0.428 591 T N 0.664 115.138 114.554 -0.134 0.000 2.788 591 T HA 0.239 4.567 4.350 -0.036 0.000 0.296 591 T C -0.681 173.758 174.700 -0.436 0.000 1.009 591 T CA -0.271 61.627 62.100 -0.337 0.000 0.949 591 T CB 0.137 68.821 68.868 -0.307 0.000 0.946 591 T HN 0.421 nan 8.240 nan 0.000 0.453 592 H N 3.117 121.745 119.070 -0.736 0.000 2.556 592 H HA 0.394 4.929 4.556 -0.035 0.000 0.310 592 H C -1.097 173.754 175.328 -0.794 0.000 1.057 592 H CA -1.064 54.585 56.048 -0.666 0.000 1.264 592 H CB 0.331 29.721 29.762 -0.620 0.000 1.404 592 H HN 0.432 nan 8.280 nan 0.000 0.462 593 F N 6.622 126.524 119.950 -0.079 0.000 2.307 593 F HA 0.277 4.782 4.527 -0.037 0.000 0.369 593 F C -2.062 173.746 175.800 0.014 0.000 1.076 593 F CA -2.626 55.192 58.000 -0.303 0.000 1.149 593 F CB 0.766 39.468 39.000 -0.496 0.000 1.410 593 F HN 0.519 nan 8.300 nan 0.000 0.481 594 P HA 0.022 nan 4.420 nan 0.000 0.263 594 P C -0.269 177.159 177.300 0.213 0.000 1.175 594 P CA 0.357 63.515 63.100 0.097 0.000 0.761 594 P CB 0.596 32.295 31.700 -0.003 0.000 0.794 595 R N 1.700 122.340 120.500 0.233 0.000 2.758 595 R HA 0.349 4.667 4.340 -0.036 0.000 0.265 595 R C 1.193 177.587 176.300 0.156 0.000 1.016 595 R CA -1.014 55.186 56.100 0.166 0.000 1.040 595 R CB 0.503 30.891 30.300 0.147 0.000 1.152 595 R HN 0.102 nan 8.270 nan 0.000 0.503 596 V N 1.284 121.265 119.914 0.112 0.000 2.490 596 V HA -0.216 3.882 4.120 -0.036 0.000 0.250 596 V C 1.414 177.610 176.094 0.170 0.000 1.061 596 V CA 1.840 64.214 62.300 0.124 0.000 1.064 596 V CB -0.538 31.330 31.823 0.075 0.000 0.670 596 V HN 0.697 nan 8.190 nan 0.000 0.461 597 E N 0.043 120.323 120.200 0.132 0.000 2.401 597 E HA -0.155 4.173 4.350 -0.036 0.000 0.199 597 E C 1.580 178.260 176.600 0.132 0.000 1.023 597 E CA 0.826 57.294 56.400 0.113 0.000 0.859 597 E CB -0.230 29.517 29.700 0.079 0.000 0.780 597 E HN 0.585 nan 8.360 nan 0.000 0.523 598 D N -1.007 119.510 120.400 0.194 0.000 2.349 598 D HA -0.057 4.561 4.640 -0.036 0.000 0.215 598 D C -0.239 176.220 176.300 0.264 0.000 1.016 598 D CA 0.238 54.369 54.000 0.218 0.000 0.870 598 D CB 0.122 41.108 40.800 0.310 0.000 0.917 598 D HN 0.220 nan 8.370 nan 0.000 0.524 599 W N 2.353 123.688 121.300 0.058 0.000 2.606 599 W HA 0.215 4.852 4.660 -0.039 0.000 0.332 599 W C -1.913 174.640 176.519 0.056 0.000 1.052 599 W CA -1.992 55.387 57.345 0.057 0.000 1.223 599 W CB 2.113 31.605 29.460 0.053 0.000 1.383 599 W HN -0.201 nan 8.180 nan 0.000 0.524 600 P HA 0.096 nan 4.420 nan 0.000 0.240 600 P C -0.021 176.856 177.300 -0.705 0.000 1.190 600 P CA 0.804 62.984 63.100 -1.533 0.000 0.781 600 P CB 1.425 32.468 31.700 -1.096 0.000 0.931 601 I N 0.463 120.797 120.570 -0.393 0.000 2.569 601 I HA 0.305 4.453 4.170 -0.036 0.000 0.290 601 I C -0.476 175.523 176.117 -0.196 0.000 1.088 601 I CA -1.855 59.214 61.300 -0.384 0.000 1.047 601 I CB 2.371 39.894 38.000 -0.795 0.000 1.237 601 I HN -0.256 nan 8.210 nan 0.000 0.421 602 M N 9.228 128.763 119.600 -0.108 0.000 2.216 602 M HA 0.619 5.077 4.480 -0.036 0.000 0.356 602 M C -2.600 173.669 176.300 -0.053 0.000 1.205 602 M CA -1.390 53.898 55.300 -0.020 0.000 1.122 602 M CB 1.015 33.660 32.600 0.076 0.000 1.571 602 M HN 0.220 nan 8.290 nan 0.000 0.464 603 P HA 0.128 nan 4.420 nan 0.000 0.274 603 P C -0.484 176.797 177.300 -0.033 0.000 1.231 603 P CA -0.402 62.675 63.100 -0.038 0.000 0.790 603 P CB 0.865 32.551 31.700 -0.023 0.000 0.951 604 V N 2.741 122.637 119.914 -0.029 0.000 2.694 604 V HA -0.033 4.066 4.120 -0.036 0.000 0.306 604 V C 0.782 176.848 176.094 -0.047 0.000 1.054 604 V CA 1.072 63.357 62.300 -0.025 0.000 1.161 604 V CB -0.160 31.660 31.823 -0.005 0.000 0.916 604 V HN 0.645 nan 8.190 nan 0.000 0.490 605 D N 2.333 122.694 120.400 -0.065 0.000 2.433 605 D HA 0.687 5.306 4.640 -0.036 0.000 0.236 605 D C -0.278 175.977 176.300 -0.075 0.000 1.026 605 D CA -0.198 53.756 54.000 -0.076 0.000 0.884 605 D CB 2.266 42.994 40.800 -0.120 0.000 1.384 605 D HN 0.736 nan 8.370 nan 0.000 0.477 606 T N -1.125 113.394 114.554 -0.059 0.000 2.906 606 T HA 0.808 5.137 4.350 -0.036 0.000 0.295 606 T C -0.637 174.065 174.700 0.004 0.000 1.075 606 T CA -0.669 61.388 62.100 -0.071 0.000 1.005 606 T CB 1.284 70.095 68.868 -0.096 0.000 1.136 606 T HN 0.226 nan 8.240 nan 0.000 0.498 607 V N -1.042 118.860 119.914 -0.021 0.000 3.178 607 V HA 1.002 5.101 4.120 -0.036 0.000 0.302 607 V C 0.357 176.403 176.094 -0.080 0.000 1.262 607 V CA -0.268 62.093 62.300 0.102 0.000 1.030 607 V CB 1.260 33.197 31.823 0.190 0.000 1.074 607 V HN 1.578 nan 8.190 nan 0.000 0.438 608 G N 0.864 109.446 108.800 -0.363 0.000 2.435 608 G HA2 0.843 4.782 3.960 -0.036 0.000 0.296 608 G HA3 0.843 4.782 3.960 -0.036 0.000 0.296 608 G C -1.665 172.650 174.900 -0.975 0.000 1.240 608 G CA 0.212 44.908 45.100 -0.673 0.000 0.872 608 G HN 1.928 nan 8.290 nan 0.000 0.480 609 F N -1.127 118.442 119.950 -0.634 0.000 2.807 609 F HA 0.848 5.353 4.527 -0.037 0.000 0.316 609 F C -1.133 174.628 175.800 -0.065 0.000 1.162 609 F CA -1.039 56.768 58.000 -0.322 0.000 0.910 609 F CB 1.423 40.252 39.000 -0.286 0.000 1.314 609 F HN 0.839 nan 8.300 nan 0.000 0.454 610 K N 0.891 121.431 120.400 0.234 0.000 2.556 610 K HA 0.827 5.126 4.320 -0.036 0.000 0.274 610 K C -2.479 174.351 176.600 0.383 0.000 0.966 610 K CA -1.044 55.364 56.287 0.202 0.000 0.865 610 K CB 2.618 35.196 32.500 0.130 0.000 1.444 610 K HN 0.711 nan 8.250 nan 0.000 0.433 611 L N 1.483 122.933 121.223 0.379 0.000 2.385 611 L HA 0.567 4.885 4.340 -0.036 0.000 0.273 611 L C -0.611 176.529 176.870 0.450 0.000 0.990 611 L CA -0.521 54.581 54.840 0.438 0.000 0.821 611 L CB 2.057 44.386 42.059 0.451 0.000 1.279 611 L HN 0.578 nan 8.230 nan 0.000 0.412 612 R N 2.679 123.370 120.500 0.319 0.000 2.711 612 R HA 0.590 4.908 4.340 -0.036 0.000 0.284 612 R C -2.573 173.501 176.300 -0.377 0.000 0.968 612 R CA -2.008 54.143 56.100 0.085 0.000 0.924 612 R CB 1.485 31.843 30.300 0.096 0.000 1.162 612 R HN 0.255 nan 8.270 nan 0.000 0.465 613 P HA -0.051 nan 4.420 nan 0.000 0.266 613 P C -0.777 176.303 177.300 -0.367 0.000 1.195 613 P CA 0.252 62.738 63.100 -1.023 0.000 0.768 613 P CB 0.573 32.043 31.700 -0.382 0.000 0.838 614 E N 2.258 122.303 120.200 -0.258 0.000 2.731 614 E HA 0.438 4.766 4.350 -0.036 0.000 0.248 614 E C 0.548 177.144 176.600 -0.006 0.000 1.084 614 E CA -0.288 56.071 56.400 -0.068 0.000 0.776 614 E CB -0.667 29.014 29.700 -0.033 0.000 1.404 614 E HN 0.574 nan 8.360 nan 0.000 0.395 615 G N 3.334 112.142 108.800 0.014 0.000 2.160 615 G HA2 -0.363 3.576 3.960 -0.036 0.000 0.251 615 G HA3 -0.363 3.576 3.960 -0.036 0.000 0.251 615 G C 0.508 175.416 174.900 0.013 0.000 1.008 615 G CA 0.439 45.552 45.100 0.020 0.000 0.724 615 G HN 0.530 nan 8.290 nan 0.000 0.514 616 F N 0.101 119.933 119.950 -0.197 0.000 2.187 616 F HA 0.466 4.972 4.527 -0.036 0.000 0.295 616 F C 1.336 176.867 175.800 -0.448 0.000 1.091 616 F CA 0.503 58.289 58.000 -0.356 0.000 1.308 616 F CB 0.028 38.696 39.000 -0.553 0.000 1.030 616 F HN 0.121 nan 8.300 nan 0.000 0.487 617 F N 0.376 120.330 119.950 0.006 0.000 2.411 617 F HA 0.228 4.733 4.527 -0.036 0.000 0.324 617 F C 1.393 177.150 175.800 -0.071 0.000 1.086 617 F CA -0.789 57.166 58.000 -0.075 0.000 1.028 617 F CB 0.340 39.316 39.000 -0.040 0.000 1.284 617 F HN -0.271 nan 8.300 nan 0.000 0.501 618 D N 0.066 120.550 120.400 0.140 0.000 2.349 618 D HA 0.062 4.680 4.640 -0.036 0.000 0.215 618 D C 0.410 176.741 176.300 0.053 0.000 1.016 618 D CA 0.608 54.642 54.000 0.055 0.000 0.870 618 D CB 0.254 41.069 40.800 0.026 0.000 0.917 618 D HN 0.526 nan 8.370 nan 0.000 0.524 619 R N -2.110 118.437 120.500 0.078 0.000 2.888 619 R HA 0.218 4.537 4.340 -0.036 0.000 0.277 619 R C -0.783 175.521 176.300 0.006 0.000 0.981 619 R CA -0.761 55.358 56.100 0.030 0.000 0.841 619 R CB 0.349 30.652 30.300 0.005 0.000 1.405 619 R HN -0.169 nan 8.270 nan 0.000 0.472 620 S N 1.072 116.752 115.700 -0.034 0.000 2.546 620 S HA 0.141 4.589 4.470 -0.036 0.000 0.290 620 S C -1.359 173.144 174.600 -0.161 0.000 1.290 620 S CA -0.906 57.243 58.200 -0.085 0.000 1.069 620 S CB 0.494 63.662 63.200 -0.053 0.000 0.846 620 S HN 0.502 nan 8.310 nan 0.000 0.495 621 P HA 0.123 nan 4.420 nan 0.000 0.257 621 P C 0.435 177.626 177.300 -0.182 0.000 1.281 621 P CA 0.156 62.995 63.100 -0.434 0.000 0.826 621 P CB -0.163 30.812 31.700 -1.208 0.000 1.237 622 V N -3.893 115.963 119.914 -0.097 0.000 3.006 622 V HA 0.254 4.352 4.120 -0.036 0.000 0.357 622 V C 1.460 177.574 176.094 0.034 0.000 1.377 622 V CA -0.123 62.171 62.300 -0.010 0.000 1.198 622 V CB -0.701 31.142 31.823 0.033 0.000 1.216 622 V HN -0.126 nan 8.190 nan 0.000 0.520 623 L N 1.092 122.325 121.223 0.018 0.000 2.395 623 L HA 0.061 4.379 4.340 -0.036 0.000 0.218 623 L C 2.075 178.983 176.870 0.064 0.000 1.130 623 L CA 1.298 56.172 54.840 0.056 0.000 0.826 623 L CB -0.214 41.855 42.059 0.018 0.000 0.941 623 L HN 0.554 nan 8.230 nan 0.000 0.451 624 D N -0.530 119.888 120.400 0.029 0.000 2.328 624 D HA -0.004 4.614 4.640 -0.036 0.000 0.221 624 D C 0.610 176.917 176.300 0.012 0.000 1.072 624 D CA 0.032 54.043 54.000 0.018 0.000 0.850 624 D CB -0.108 40.690 40.800 -0.003 0.000 0.922 624 D HN 0.013 nan 8.370 nan 0.000 0.516 625 V N 3.275 123.203 119.914 0.024 0.000 2.555 625 V HA 0.187 4.285 4.120 -0.036 0.000 0.286 625 V C -1.629 174.465 176.094 0.001 0.000 1.044 625 V CA -1.121 61.184 62.300 0.007 0.000 1.026 625 V CB 0.984 32.820 31.823 0.022 0.000 0.981 625 V HN 0.158 nan 8.190 nan 0.000 0.480 626 P HA 0.235 nan 4.420 nan 0.000 0.274 626 P C 0.353 177.621 177.300 -0.054 0.000 1.237 626 P CA -0.255 62.831 63.100 -0.024 0.000 0.793 626 P CB 1.416 33.106 31.700 -0.017 0.000 0.977 627 A N 2.304 125.081 122.820 -0.072 0.000 1.841 627 A HA -0.107 4.191 4.320 -0.036 0.000 0.214 627 A C 0.562 178.107 177.584 -0.066 0.000 1.195 627 A CA 1.585 53.558 52.037 -0.106 0.000 0.611 627 A CB -1.595 17.343 19.000 -0.103 0.000 0.835 627 A HN 0.742 nan 8.150 nan 0.000 0.443 628 N N 0.000 118.676 118.700 -0.040 0.000 1.763 628 N HA 0.000 4.718 4.740 -0.036 0.000 0.220 628 N CA 0.000 53.036 53.050 -0.023 0.000 0.885 628 N CB 0.000 38.480 38.487 -0.012 0.000 1.341 628 N HN 0.000 nan 8.380 nan 0.000 0.667