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 1avk_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 PIRSWQNYFD TGEYLVGQYA DATA SEQUENCE NSLELGCDcL GDITYLSPVI SDAFGNPREI RNGIcMHEED WGILAKHSDL DATA SEQUENCE WSGINYTRRN RRMVISFFTT IGNYDYGFYW 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 0.000 177.584 177.584 -0.000 0.000 1.274 9 A CA 0.000 52.036 52.037 -0.001 0.000 0.836 9 A CB 0.000 19.005 19.000 0.008 0.000 0.831 10 S N 1.045 116.750 115.700 0.008 0.000 2.532 10 S HA 0.625 5.073 4.470 -0.037 0.000 0.299 10 S C -2.428 172.157 174.600 -0.025 0.000 1.105 10 S CA -0.986 57.233 58.200 0.031 0.000 1.018 10 S CB 2.011 65.263 63.200 0.087 0.000 1.021 10 S HN 0.310 nan 8.310 nan 0.000 0.483 11 P HA 0.131 nan 4.420 nan 0.000 0.242 11 P C 0.214 177.186 177.300 -0.546 0.000 1.197 11 P CA 0.448 63.344 63.100 -0.339 0.000 0.765 11 P CB -0.189 31.243 31.700 -0.447 0.000 0.936 12 F N 0.396 120.273 119.950 -0.122 0.000 2.678 12 F HA 0.209 4.714 4.527 -0.037 0.000 0.305 12 F C 1.531 177.267 175.800 -0.107 0.000 1.090 12 F CA -0.749 57.132 58.000 -0.198 0.000 1.272 12 F CB -0.108 38.752 39.000 -0.234 0.000 1.060 12 F HN -0.171 nan 8.300 nan 0.000 0.576 13 R N 1.154 121.694 120.500 0.066 0.000 2.734 13 R HA 0.191 4.509 4.340 -0.037 0.000 0.266 13 R C -0.191 176.137 176.300 0.047 0.000 1.044 13 R CA -0.373 55.767 56.100 0.066 0.000 1.128 13 R CB 0.363 30.691 30.300 0.046 0.000 1.010 13 R HN 0.156 nan 8.270 nan 0.000 0.461 14 L N 1.758 123.019 121.223 0.064 0.000 2.456 14 L HA 0.127 4.445 4.340 -0.037 0.000 0.272 14 L C 0.745 177.656 176.870 0.068 0.000 1.189 14 L CA -0.274 54.605 54.840 0.065 0.000 0.846 14 L CB 0.553 42.645 42.059 0.055 0.000 1.111 14 L HN 0.835 nan 8.230 nan 0.000 0.475 15 A N 2.978 125.853 122.820 0.093 0.000 2.524 15 A HA 0.301 4.599 4.320 -0.037 0.000 0.250 15 A C 0.550 178.201 177.584 0.112 0.000 1.078 15 A CA -0.246 51.891 52.037 0.166 0.000 0.761 15 A CB -0.063 19.100 19.000 0.271 0.000 1.012 15 A HN 0.784 nan 8.150 nan 0.000 0.500 16 S N 2.051 117.809 115.700 0.097 0.000 2.669 16 S HA 0.573 5.021 4.470 -0.037 0.000 0.270 16 S C 1.291 175.905 174.600 0.024 0.000 1.225 16 S CA -0.230 57.999 58.200 0.047 0.000 0.991 16 S CB 1.403 64.625 63.200 0.036 0.000 0.987 16 S HN 1.450 nan 8.310 nan 0.000 0.552 17 A N 1.318 124.141 122.820 0.006 0.000 1.930 17 A HA 0.160 4.458 4.320 -0.037 0.000 0.217 17 A C 2.163 179.732 177.584 -0.026 0.000 1.175 17 A CA 1.565 53.596 52.037 -0.010 0.000 0.627 17 A CB -1.791 17.204 19.000 -0.007 0.000 0.815 17 A HN 1.110 nan 8.150 nan 0.000 0.443 18 G N -0.276 108.513 108.800 -0.019 0.000 2.440 18 G HA2 -0.246 3.692 3.960 -0.037 0.000 0.218 18 G HA3 -0.246 3.692 3.960 -0.037 0.000 0.218 18 G C 1.426 176.292 174.900 -0.057 0.000 1.154 18 G CA 1.048 46.131 45.100 -0.029 0.000 0.767 18 G HN 0.666 nan 8.290 nan 0.000 0.552 19 E N -0.041 120.126 120.200 -0.056 0.000 2.106 19 E HA -0.066 4.262 4.350 -0.037 0.000 0.192 19 E C 2.552 178.975 176.600 -0.296 0.000 0.984 19 E CA 0.473 56.792 56.400 -0.134 0.000 0.806 19 E CB -0.063 29.627 29.700 -0.018 0.000 0.750 19 E HN 0.330 nan 8.360 nan 0.000 0.458 20 I N 1.050 121.492 120.570 -0.213 0.000 2.226 20 I HA -0.215 3.932 4.170 -0.037 0.000 0.245 20 I C 2.323 178.331 176.117 -0.182 0.000 1.100 20 I CA 1.147 62.308 61.300 -0.232 0.000 1.374 20 I CB -1.159 36.777 38.000 -0.107 0.000 1.057 20 I HN -0.009 nan 8.210 nan 0.000 0.413 21 S N 0.368 115.997 115.700 -0.119 0.000 2.356 21 S HA -0.157 4.291 4.470 -0.037 0.000 0.223 21 S C 1.880 176.420 174.600 -0.100 0.000 1.032 21 S CA 1.057 59.206 58.200 -0.084 0.000 1.005 21 S CB -0.134 63.034 63.200 -0.054 0.000 0.867 21 S HN 0.404 nan 8.310 nan 0.000 0.449 22 E N 0.791 120.919 120.200 -0.121 0.000 2.160 22 E HA -0.102 4.225 4.350 -0.037 0.000 0.195 22 E C 2.166 178.681 176.600 -0.142 0.000 0.991 22 E CA 0.807 57.139 56.400 -0.114 0.000 0.810 22 E CB -0.304 29.330 29.700 -0.109 0.000 0.742 22 E HN 0.351 nan 8.360 nan 0.000 0.466 23 V N 0.949 120.726 119.914 -0.227 0.000 2.358 23 V HA -0.232 3.865 4.120 -0.037 0.000 0.246 23 V C 2.604 178.623 176.094 -0.125 0.000 1.047 23 V CA 1.781 63.945 62.300 -0.228 0.000 1.035 23 V CB -0.531 31.062 31.823 -0.383 0.000 0.658 23 V HN 0.257 nan 8.190 nan 0.000 0.452 24 Q N 0.327 120.063 119.800 -0.107 0.000 2.084 24 Q HA -0.157 4.161 4.340 -0.037 0.000 0.202 24 Q C 2.248 178.225 176.000 -0.038 0.000 0.978 24 Q CA 1.972 57.743 55.803 -0.052 0.000 0.844 24 Q CB -0.414 28.302 28.738 -0.036 0.000 0.898 24 Q HN 0.656 nan 8.270 nan 0.000 0.426 25 G N 1.119 109.890 108.800 -0.049 0.000 2.433 25 G HA2 -0.240 3.698 3.960 -0.037 0.000 0.216 25 G HA3 -0.240 3.698 3.960 -0.037 0.000 0.216 25 G C 1.398 176.280 174.900 -0.031 0.000 1.186 25 G CA 0.918 45.996 45.100 -0.036 0.000 0.779 25 G HN 0.368 nan 8.290 nan 0.000 0.543 26 I N 0.393 120.938 120.570 -0.040 0.000 2.286 26 I HA -0.110 4.037 4.170 -0.037 0.000 0.248 26 I C 2.666 178.773 176.117 -0.017 0.000 1.115 26 I CA 0.601 61.884 61.300 -0.028 0.000 1.392 26 I CB -0.159 37.821 38.000 -0.034 0.000 1.065 26 I HN 0.128 nan 8.210 nan 0.000 0.418 27 L N -0.022 121.189 121.223 -0.020 0.000 2.109 27 L HA -0.138 4.180 4.340 -0.037 0.000 0.207 27 L C 2.762 179.633 176.870 0.001 0.000 1.086 27 L CA 1.135 55.972 54.840 -0.004 0.000 0.760 27 L CB -0.420 41.638 42.059 -0.002 0.000 0.910 27 L HN 0.152 nan 8.230 nan 0.000 0.437 28 R N -0.670 119.828 120.500 -0.003 0.000 2.062 28 R HA -0.115 4.203 4.340 -0.037 0.000 0.231 28 R C 2.244 178.543 176.300 -0.002 0.000 1.136 28 R CA 1.873 57.974 56.100 0.000 0.000 0.948 28 R CB -0.535 29.764 30.300 -0.002 0.000 0.845 28 R HN 0.214 nan 8.270 nan 0.000 0.430 29 T N 0.485 115.035 114.554 -0.006 0.000 2.849 29 T HA -0.121 4.207 4.350 -0.037 0.000 0.270 29 T C 1.392 176.091 174.700 -0.003 0.000 1.066 29 T CA 1.392 63.489 62.100 -0.005 0.000 1.130 29 T CB -0.054 68.809 68.868 -0.008 0.000 0.864 29 T HN 0.338 nan 8.240 nan 0.000 0.481 30 A N 0.104 122.924 122.820 -0.001 0.000 2.379 30 A HA 0.567 4.865 4.320 -0.037 0.000 0.236 30 A C 1.769 179.355 177.584 0.004 0.000 1.272 30 A CA 0.519 52.557 52.037 0.002 0.000 0.886 30 A CB -0.635 18.369 19.000 0.005 0.000 0.962 30 A HN 0.589 nan 8.150 nan 0.000 0.504 31 G N -0.785 108.016 108.800 0.003 0.000 2.168 31 G HA2 -0.289 3.649 3.960 -0.037 0.000 0.257 31 G HA3 -0.289 3.649 3.960 -0.037 0.000 0.257 31 G C 0.710 175.614 174.900 0.006 0.000 0.997 31 G CA 0.784 45.886 45.100 0.003 0.000 0.708 31 G HN 0.501 nan 8.290 nan 0.000 0.520 32 L N -1.089 120.140 121.223 0.010 0.000 2.416 32 L HA 0.329 4.647 4.340 -0.037 0.000 0.216 32 L C 1.497 178.378 176.870 0.018 0.000 1.098 32 L CA 0.125 54.974 54.840 0.014 0.000 0.840 32 L CB 0.152 42.223 42.059 0.021 0.000 0.981 32 L HN 0.226 nan 8.230 nan 0.000 0.462 33 L N 1.549 122.783 121.223 0.019 0.000 2.828 33 L HA 0.384 4.702 4.340 -0.037 0.000 0.233 33 L C 0.752 177.642 176.870 0.034 0.000 1.250 33 L CA 0.061 54.919 54.840 0.030 0.000 1.125 33 L CB -0.330 41.747 42.059 0.030 0.000 1.432 33 L HN 0.010 nan 8.230 nan 0.000 0.444 34 G N 1.727 110.543 108.800 0.026 0.000 2.683 34 G HA2 0.226 4.164 3.960 -0.037 0.000 0.260 34 G HA3 0.226 4.164 3.960 -0.037 0.000 0.260 34 G C -1.385 173.540 174.900 0.042 0.000 1.238 34 G CA -0.482 44.632 45.100 0.023 0.000 0.934 34 G HN 0.389 nan 8.290 nan 0.000 0.534 35 P HA 0.012 nan 4.420 nan 0.000 0.230 35 P C 0.743 178.089 177.300 0.077 0.000 1.158 35 P CA 0.977 64.105 63.100 0.046 0.000 0.769 35 P CB 0.458 32.166 31.700 0.013 0.000 0.807 36 E N -0.878 119.351 120.200 0.047 0.000 2.481 36 E HA 0.069 4.396 4.350 -0.037 0.000 0.198 36 E C 0.332 176.938 176.600 0.010 0.000 1.027 36 E CA 0.145 56.564 56.400 0.031 0.000 0.900 36 E CB 0.051 29.746 29.700 -0.009 0.000 0.993 36 E HN 0.064 nan 8.360 nan 0.000 0.482 37 K N 1.192 121.611 120.400 0.031 0.000 2.185 37 K HA 0.327 4.625 4.320 -0.037 0.000 0.271 37 K C -0.045 176.570 176.600 0.024 0.000 1.013 37 K CA -0.344 55.948 56.287 0.010 0.000 0.943 37 K CB 0.940 33.453 32.500 0.023 0.000 0.998 37 K HN -0.125 nan 8.250 nan 0.000 0.468 38 R N 2.036 122.534 120.500 -0.004 0.000 2.575 38 R HA 0.440 4.758 4.340 -0.037 0.000 0.293 38 R C -0.064 176.236 176.300 0.000 0.000 0.983 38 R CA -0.717 55.347 56.100 -0.059 0.000 0.887 38 R CB 1.172 31.466 30.300 -0.010 0.000 1.184 38 R HN 0.580 nan 8.270 nan 0.000 0.445 39 I N 2.546 123.082 120.570 -0.057 0.000 2.308 39 I HA 0.099 4.246 4.170 -0.037 0.000 0.293 39 I C 1.320 177.444 176.117 0.011 0.000 1.078 39 I CA 0.001 61.302 61.300 0.002 0.000 1.292 39 I CB 1.478 39.459 38.000 -0.032 0.000 1.423 39 I HN 0.693 nan 8.210 nan 0.000 0.493 40 A N 6.751 129.636 122.820 0.109 0.000 2.072 40 A HA 0.000 4.298 4.320 -0.037 0.000 0.216 40 A C 0.345 178.051 177.584 0.204 0.000 1.156 40 A CA 0.922 53.035 52.037 0.126 0.000 0.701 40 A CB 0.148 19.247 19.000 0.166 0.000 0.816 40 A HN 0.696 nan 8.150 nan 0.000 0.458 41 Y N -2.197 118.136 120.300 0.054 0.000 2.565 41 Y HA 0.548 5.076 4.550 -0.037 0.000 0.330 41 Y C -1.844 173.991 175.900 -0.108 0.000 1.150 41 Y CA -1.172 56.886 58.100 -0.069 0.000 1.055 41 Y CB 1.121 39.457 38.460 -0.206 0.000 1.337 41 Y HN 0.187 nan 8.280 nan 0.000 0.457 42 L N 4.936 125.453 121.223 -1.177 0.000 2.588 42 L HA 0.908 5.226 4.340 -0.037 0.000 0.263 42 L C -1.447 174.939 176.870 -0.807 0.000 0.935 42 L CA -0.120 54.280 54.840 -0.734 0.000 0.891 42 L CB 1.946 43.846 42.059 -0.264 0.000 1.318 42 L HN 1.003 nan 8.230 nan 0.000 0.409 43 G N 2.992 111.505 108.800 -0.478 0.000 2.703 43 G HA2 0.505 4.443 3.960 -0.037 0.000 0.294 43 G HA3 0.505 4.443 3.960 -0.037 0.000 0.294 43 G C -1.038 173.746 174.900 -0.193 0.000 1.451 43 G CA -0.148 44.821 45.100 -0.217 0.000 0.869 43 G HN 0.845 nan 8.290 nan 0.000 0.516 44 V N 0.007 119.648 119.914 -0.456 0.000 2.963 44 V HA 0.652 4.750 4.120 -0.037 0.000 0.306 44 V C 0.322 176.202 176.094 -0.357 0.000 1.077 44 V CA -0.482 61.328 62.300 -0.815 0.000 1.124 44 V CB 0.709 32.038 31.823 -0.823 0.000 0.987 44 V HN 0.627 nan 8.190 nan 0.000 0.487 45 L N 2.449 123.479 121.223 -0.323 0.000 2.379 45 L HA 0.507 4.825 4.340 -0.037 0.000 0.269 45 L C 0.182 176.940 176.870 -0.187 0.000 1.084 45 L CA -0.676 54.066 54.840 -0.164 0.000 0.802 45 L CB 1.148 43.141 42.059 -0.110 0.000 1.175 45 L HN 0.709 nan 8.230 nan 0.000 0.448 46 D N 1.749 122.082 120.400 -0.112 0.000 2.304 46 D HA 0.252 4.870 4.640 -0.037 0.000 0.247 46 D C -2.008 174.193 176.300 -0.165 0.000 1.089 46 D CA -0.880 53.042 54.000 -0.129 0.000 0.910 46 D CB 0.827 41.647 40.800 0.033 0.000 1.199 46 D HN 0.244 nan 8.370 nan 0.000 0.426 47 P HA 0.069 nan 4.420 nan 0.000 0.267 47 P C -0.728 176.507 177.300 -0.108 0.000 1.201 47 P CA -0.044 62.909 63.100 -0.244 0.000 0.775 47 P CB 0.468 31.939 31.700 -0.382 0.000 0.854 48 A N 2.238 125.007 122.820 -0.085 0.000 2.351 48 A HA 0.297 4.595 4.320 -0.037 0.000 0.257 48 A C 0.362 177.909 177.584 -0.062 0.000 1.087 48 A CA -0.218 51.791 52.037 -0.047 0.000 0.798 48 A CB 0.022 18.998 19.000 -0.041 0.000 1.033 48 A HN 0.391 nan 8.150 nan 0.000 0.488 49 R N 0.463 120.924 120.500 -0.065 0.000 2.457 49 R HA 0.404 4.722 4.340 -0.037 0.000 0.335 49 R C 0.578 176.808 176.300 -0.118 0.000 1.003 49 R CA 0.998 57.005 56.100 -0.155 0.000 1.003 49 R CB -0.629 29.575 30.300 -0.159 0.000 0.950 49 R HN 1.656 nan 8.270 nan 0.000 0.428 50 G N 2.464 111.195 108.800 -0.115 0.000 2.327 50 G HA2 0.026 3.964 3.960 -0.037 0.000 0.234 50 G HA3 0.026 3.964 3.960 -0.037 0.000 0.234 50 G C 0.231 175.104 174.900 -0.044 0.000 1.884 50 G CA -0.311 44.745 45.100 -0.072 0.000 1.132 50 G HN 0.636 nan 8.290 nan 0.000 0.633 51 A N -0.111 122.693 122.820 -0.025 0.000 2.263 51 A HA 0.479 4.777 4.320 -0.037 0.000 0.205 51 A C 2.245 179.830 177.584 0.002 0.000 1.226 51 A CA 2.031 54.069 52.037 0.003 0.000 0.810 51 A CB -0.158 18.872 19.000 0.050 0.000 0.784 51 A HN 1.642 nan 8.150 nan 0.000 0.486 52 G N 0.044 108.839 108.800 -0.008 0.000 2.494 52 G HA2 0.054 3.992 3.960 -0.037 0.000 0.216 52 G HA3 0.054 3.992 3.960 -0.037 0.000 0.216 52 G C 1.052 175.946 174.900 -0.010 0.000 1.140 52 G CA 0.695 45.792 45.100 -0.005 0.000 0.801 52 G HN 0.821 nan 8.290 nan 0.000 0.536 53 S N 1.017 116.705 115.700 -0.019 0.000 2.507 53 S HA 0.260 4.708 4.470 -0.037 0.000 0.299 53 S C -0.017 174.570 174.600 -0.023 0.000 1.214 53 S CA -0.396 57.791 58.200 -0.022 0.000 1.137 53 S CB 1.049 64.232 63.200 -0.029 0.000 1.009 53 S HN 0.281 nan 8.310 nan 0.000 0.512 54 E N 3.708 123.898 120.200 -0.017 0.000 2.343 54 E HA 0.589 4.917 4.350 -0.037 0.000 0.269 54 E C -0.089 176.498 176.600 -0.021 0.000 1.047 54 E CA 0.545 56.934 56.400 -0.017 0.000 0.874 54 E CB 0.901 30.594 29.700 -0.011 0.000 1.033 54 E HN 1.662 nan 8.360 nan 0.000 0.409 55 A N 3.035 125.840 122.820 -0.025 0.000 2.435 55 A HA -0.062 4.235 4.320 -0.037 0.000 0.686 55 A C -0.222 177.339 177.584 -0.039 0.000 0.138 55 A CA 0.091 52.112 52.037 -0.026 0.000 0.025 55 A CB -1.127 17.861 19.000 -0.020 0.000 3.974 55 A HN 0.738 nan 8.150 nan 0.000 0.548 56 E N 1.387 121.563 120.200 -0.040 0.000 2.324 56 E HA 0.326 4.654 4.350 -0.037 0.000 0.271 56 E C -0.555 176.019 176.600 -0.043 0.000 1.028 56 E CA 0.226 56.593 56.400 -0.054 0.000 0.890 56 E CB 0.576 30.249 29.700 -0.046 0.000 1.004 56 E HN 0.522 nan 8.360 nan 0.000 0.431 57 D N 4.500 124.865 120.400 -0.058 0.000 2.513 57 D HA 0.134 4.752 4.640 -0.037 0.000 0.295 57 D C -0.802 175.468 176.300 -0.050 0.000 1.202 57 D CA -0.637 53.340 54.000 -0.039 0.000 0.849 57 D CB 0.126 40.903 40.800 -0.037 0.000 1.116 57 D HN 0.302 nan 8.370 nan 0.000 0.502 58 R N 2.275 122.758 120.500 -0.029 0.000 2.387 58 R HA 0.257 4.575 4.340 -0.037 0.000 0.321 58 R C 0.077 176.408 176.300 0.051 0.000 1.174 58 R CA 0.093 56.176 56.100 -0.027 0.000 1.002 58 R CB -0.007 30.314 30.300 0.035 0.000 1.028 58 R HN 0.219 nan 8.270 nan 0.000 0.482 59 R N 2.979 123.458 120.500 -0.034 0.000 2.596 59 R HA 0.452 4.770 4.340 -0.037 0.000 0.267 59 R C -0.760 175.510 176.300 -0.050 0.000 1.026 59 R CA -0.545 55.581 56.100 0.043 0.000 1.087 59 R CB 1.063 31.359 30.300 -0.006 0.000 1.132 59 R HN 0.288 nan 8.270 nan 0.000 0.531 60 F N -0.316 119.621 119.950 -0.022 0.000 2.603 60 F HA 0.487 4.992 4.527 -0.037 0.000 0.317 60 F C 0.038 175.838 175.800 0.001 0.000 1.066 60 F CA -0.842 57.142 58.000 -0.026 0.000 0.941 60 F CB 1.946 40.919 39.000 -0.044 0.000 1.291 60 F HN 0.169 nan 8.300 nan 0.000 0.472 61 R N 1.507 122.108 120.500 0.168 0.000 2.534 61 R HA 0.842 5.160 4.340 -0.037 0.000 0.301 61 R C -2.164 174.209 176.300 0.123 0.000 0.961 61 R CA -0.565 55.628 56.100 0.155 0.000 0.871 61 R CB 1.774 32.161 30.300 0.144 0.000 1.170 61 R HN 0.536 nan 8.270 nan 0.000 0.446 62 V N 4.921 124.941 119.914 0.176 0.000 2.638 62 V HA 0.480 4.578 4.120 -0.037 0.000 0.306 62 V C -1.034 175.310 176.094 0.415 0.000 1.052 62 V CA -0.821 61.578 62.300 0.165 0.000 0.885 62 V CB 1.829 33.720 31.823 0.113 0.000 0.999 62 V HN 0.577 nan 8.190 nan 0.000 0.424 63 F N 4.708 124.813 119.950 0.258 0.000 2.361 63 F HA 0.582 5.087 4.527 -0.037 0.000 0.364 63 F C 0.253 176.132 175.800 0.133 0.000 1.120 63 F CA -1.649 56.484 58.000 0.222 0.000 1.102 63 F CB 1.079 40.254 39.000 0.290 0.000 1.183 63 F HN 0.258 nan 8.300 nan 0.000 0.476 64 I N 4.109 124.839 120.570 0.266 0.000 2.312 64 I HA 0.182 4.330 4.170 -0.037 0.000 0.290 64 I C 0.084 176.276 176.117 0.125 0.000 1.008 64 I CA -0.717 60.676 61.300 0.155 0.000 1.226 64 I CB 0.957 39.015 38.000 0.097 0.000 1.371 64 I HN 0.480 nan 8.210 nan 0.000 0.468 65 H N 6.154 125.232 119.070 0.014 0.000 2.505 65 H HA 0.328 4.862 4.556 -0.037 0.000 0.355 65 H C -1.070 174.241 175.328 -0.028 0.000 1.179 65 H CA -0.163 55.870 56.048 -0.025 0.000 1.343 65 H CB 1.299 31.039 29.762 -0.036 0.000 1.501 65 H HN 0.565 nan 8.280 nan 0.000 0.569 66 D N 3.276 123.232 120.400 -0.741 0.000 2.696 66 D HA 0.143 4.761 4.640 -0.037 0.000 0.251 66 D C 0.267 176.133 176.300 -0.724 0.000 1.188 66 D CA -0.480 53.202 54.000 -0.530 0.000 0.876 66 D CB 1.835 42.483 40.800 -0.254 0.000 1.334 66 D HN 0.422 nan 8.370 nan 0.000 0.540 67 V N 2.961 122.621 119.914 -0.424 0.000 3.041 67 V HA -0.133 3.965 4.120 -0.037 0.000 0.260 67 V C 2.307 178.334 176.094 -0.112 0.000 1.105 67 V CA 1.645 63.816 62.300 -0.216 0.000 1.125 67 V CB -0.261 31.524 31.823 -0.063 0.000 0.730 67 V HN 0.630 nan 8.190 nan 0.000 0.479 68 S N 0.003 115.637 115.700 -0.109 0.000 2.470 68 S HA 0.252 4.700 4.470 -0.037 0.000 0.225 68 S C 1.642 176.203 174.600 -0.065 0.000 1.006 68 S CA 0.930 59.091 58.200 -0.065 0.000 0.934 68 S CB 0.604 63.773 63.200 -0.052 0.000 0.778 68 S HN 0.939 nan 8.310 nan 0.000 0.517 69 G N 0.348 109.093 108.800 -0.093 0.000 2.273 69 G HA2 0.140 4.077 3.960 -0.037 0.000 0.162 69 G HA3 0.140 4.077 3.960 -0.037 0.000 0.162 69 G C 0.164 175.019 174.900 -0.075 0.000 1.006 69 G CA -0.231 44.826 45.100 -0.071 0.000 0.704 69 G HN 0.976 nan 8.290 nan 0.000 0.487 70 A N 0.615 123.381 122.820 -0.090 0.000 2.386 70 A HA 0.699 4.997 4.320 -0.037 0.000 0.248 70 A C 0.831 178.363 177.584 -0.087 0.000 1.082 70 A CA -0.021 51.969 52.037 -0.078 0.000 0.789 70 A CB 0.210 19.167 19.000 -0.072 0.000 1.025 70 A HN 0.478 nan 8.150 nan 0.000 0.490 71 R N 1.617 122.074 120.500 -0.072 0.000 2.585 71 R HA 0.131 4.449 4.340 -0.037 0.000 0.275 71 R C -2.036 174.214 176.300 -0.083 0.000 1.018 71 R CA -0.690 55.363 56.100 -0.078 0.000 1.072 71 R CB 0.015 30.272 30.300 -0.072 0.000 0.953 71 R HN 0.598 nan 8.270 nan 0.000 0.419 72 P HA 0.022 nan 4.420 nan 0.000 0.275 72 P C -1.025 176.222 177.300 -0.089 0.000 1.266 72 P CA -0.180 62.872 63.100 -0.079 0.000 0.793 72 P CB 0.842 32.492 31.700 -0.085 0.000 1.074 73 Q N -0.799 118.973 119.800 -0.047 0.000 2.389 73 Q HA 0.328 4.646 4.340 -0.037 0.000 0.277 73 Q C -0.896 175.133 176.000 0.049 0.000 1.082 73 Q CA -0.655 55.137 55.803 -0.018 0.000 0.810 73 Q CB 2.597 31.344 28.738 0.015 0.000 1.374 73 Q HN 0.447 nan 8.270 nan 0.000 0.422 74 E N 2.024 122.269 120.200 0.075 0.000 2.092 74 E HA 0.418 4.745 4.350 -0.037 0.000 0.271 74 E C -1.424 175.303 176.600 0.211 0.000 0.919 74 E CA -0.457 56.080 56.400 0.229 0.000 0.760 74 E CB 1.138 30.982 29.700 0.239 0.000 1.106 74 E HN 0.298 nan 8.360 nan 0.000 0.408 75 V N 3.611 123.669 119.914 0.239 0.000 2.555 75 V HA 0.386 4.484 4.120 -0.037 0.000 0.302 75 V C -0.038 176.156 176.094 0.167 0.000 1.038 75 V CA -0.750 61.648 62.300 0.164 0.000 0.887 75 V CB 1.992 33.888 31.823 0.123 0.000 0.991 75 V HN 0.678 nan 8.190 nan 0.000 0.434 76 T N 3.878 118.508 114.554 0.128 0.000 2.779 76 T HA 0.676 5.004 4.350 -0.037 0.000 0.280 76 T C -0.448 174.310 174.700 0.097 0.000 0.987 76 T CA -0.342 61.829 62.100 0.118 0.000 0.966 76 T CB 1.556 70.482 68.868 0.097 0.000 0.933 76 T HN 0.405 nan 8.240 nan 0.000 0.442 77 V N 2.179 122.163 119.914 0.116 0.000 2.769 77 V HA 0.694 4.792 4.120 -0.037 0.000 0.312 77 V C -0.029 176.136 176.094 0.118 0.000 1.061 77 V CA -0.911 61.446 62.300 0.094 0.000 0.931 77 V CB 2.209 34.072 31.823 0.065 0.000 1.010 77 V HN 0.839 nan 8.190 nan 0.000 0.433 78 S N 2.102 117.849 115.700 0.078 0.000 2.516 78 S HA 0.284 4.732 4.470 -0.037 0.000 0.268 78 S C 0.741 175.378 174.600 0.061 0.000 1.251 78 S CA -0.503 57.744 58.200 0.079 0.000 1.153 78 S CB 0.965 64.191 63.200 0.044 0.000 1.009 78 S HN 0.480 nan 8.310 nan 0.000 0.479 79 V N 4.675 124.643 119.914 0.090 0.000 2.568 79 V HA -0.147 3.951 4.120 -0.037 0.000 0.253 79 V C 2.483 178.594 176.094 0.029 0.000 1.072 79 V CA 2.470 64.791 62.300 0.034 0.000 1.084 79 V CB -1.136 30.707 31.823 0.032 0.000 0.676 79 V HN 0.822 nan 8.190 nan 0.000 0.469 80 T N 0.492 115.071 114.554 0.040 0.000 2.737 80 T HA -0.117 4.211 4.350 -0.037 0.000 0.265 80 T C 1.626 176.332 174.700 0.010 0.000 1.038 80 T CA 1.606 63.718 62.100 0.021 0.000 1.144 80 T CB -0.277 68.599 68.868 0.014 0.000 0.866 80 T HN 0.493 nan 8.240 nan 0.000 0.434 81 N N 0.346 119.053 118.700 0.011 0.000 2.353 81 N HA 0.165 4.883 4.740 -0.037 0.000 0.185 81 N C 1.385 176.897 175.510 0.004 0.000 1.098 81 N CA 0.677 53.730 53.050 0.006 0.000 0.872 81 N CB 0.267 38.758 38.487 0.007 0.000 0.970 81 N HN 0.531 nan 8.380 nan 0.000 0.467 82 G N 1.309 110.111 108.800 0.004 0.000 2.198 82 G HA2 -0.275 3.663 3.960 -0.037 0.000 0.260 82 G HA3 -0.275 3.663 3.960 -0.037 0.000 0.260 82 G C 0.188 175.088 174.900 -0.000 0.000 1.025 82 G CA 1.056 46.154 45.100 -0.003 0.000 0.769 82 G HN 0.565 nan 8.290 nan 0.000 0.507 83 T N -3.639 110.919 114.554 0.007 0.000 2.916 83 T HA 0.703 5.031 4.350 -0.037 0.000 0.292 83 T C -0.247 174.464 174.700 0.018 0.000 1.064 83 T CA -0.524 61.582 62.100 0.010 0.000 1.011 83 T CB 2.703 71.577 68.868 0.010 0.000 1.152 83 T HN 0.746 nan 8.240 nan 0.000 0.510 84 V N 2.899 122.824 119.914 0.019 0.000 2.432 84 V HA 0.293 4.391 4.120 -0.037 0.000 0.271 84 V C 1.198 177.310 176.094 0.030 0.000 1.046 84 V CA -0.351 61.966 62.300 0.028 0.000 0.945 84 V CB 0.538 32.376 31.823 0.025 0.000 0.992 84 V HN 0.886 nan 8.190 nan 0.000 0.471 85 I N 3.403 123.996 120.570 0.039 0.000 2.480 85 I HA 0.026 4.174 4.170 -0.037 0.000 0.251 85 I C 0.943 177.081 176.117 0.035 0.000 1.124 85 I CA 0.886 62.206 61.300 0.034 0.000 1.444 85 I CB 0.368 38.390 38.000 0.035 0.000 1.098 85 I HN 0.777 nan 8.210 nan 0.000 0.428 86 S N -0.063 115.664 115.700 0.046 0.000 2.565 86 S HA 0.806 5.254 4.470 -0.037 0.000 0.269 86 S C -1.036 173.598 174.600 0.057 0.000 1.153 86 S CA -0.534 57.693 58.200 0.046 0.000 0.835 86 S CB 2.243 65.472 63.200 0.049 0.000 1.122 86 S HN 0.131 nan 8.310 nan 0.000 0.462 87 A N 1.041 123.891 122.820 0.049 0.000 2.456 87 A HA 0.721 5.019 4.320 -0.037 0.000 0.288 87 A C -0.629 176.979 177.584 0.039 0.000 1.042 87 A CA -0.339 51.729 52.037 0.052 0.000 0.738 87 A CB 0.973 19.997 19.000 0.040 0.000 1.266 87 A HN 2.119 nan 8.150 nan 0.000 0.407 88 V N -0.398 119.542 119.914 0.045 0.000 2.680 88 V HA 0.713 4.811 4.120 -0.037 0.000 0.309 88 V C -0.182 175.912 176.094 -0.000 0.000 1.052 88 V CA -0.788 61.526 62.300 0.023 0.000 0.908 88 V CB 1.758 33.601 31.823 0.033 0.000 1.001 88 V HN 0.842 nan 8.190 nan 0.000 0.431 89 E N 2.660 122.849 120.200 -0.019 0.000 2.283 89 E HA 0.556 4.884 4.350 -0.037 0.000 0.278 89 E C -1.262 175.292 176.600 -0.076 0.000 1.027 89 E CA -0.542 55.831 56.400 -0.045 0.000 0.843 89 E CB 1.690 31.366 29.700 -0.039 0.000 1.062 89 E HN 0.663 nan 8.360 nan 0.000 0.401 90 L N 2.763 123.908 121.223 -0.129 0.000 2.317 90 L HA 0.264 4.581 4.340 -0.037 0.000 0.281 90 L C 0.041 176.807 176.870 -0.175 0.000 1.024 90 L CA -0.716 54.007 54.840 -0.195 0.000 0.810 90 L CB 1.229 43.057 42.059 -0.385 0.000 1.240 90 L HN 0.398 nan 8.230 nan 0.000 0.427 91 D N 1.003 121.314 120.400 -0.149 0.000 2.524 91 D HA 0.044 4.662 4.640 -0.037 0.000 0.222 91 D C 1.425 177.639 176.300 -0.144 0.000 1.142 91 D CA -0.186 53.743 54.000 -0.118 0.000 0.973 91 D CB 0.897 41.651 40.800 -0.078 0.000 1.025 91 D HN 0.676 nan 8.370 nan 0.000 0.519 92 T N 0.365 114.813 114.554 -0.177 0.000 2.778 92 T HA -0.252 4.076 4.350 -0.037 0.000 0.269 92 T C 1.809 176.434 174.700 -0.125 0.000 1.050 92 T CA 1.229 63.218 62.100 -0.186 0.000 1.137 92 T CB -0.222 68.539 68.868 -0.180 0.000 0.860 92 T HN 0.231 nan 8.240 nan 0.000 0.468 93 A N 0.649 123.407 122.820 -0.103 0.000 2.216 93 A HA 0.538 4.836 4.320 -0.037 0.000 0.214 93 A C 2.458 179.981 177.584 -0.101 0.000 1.160 93 A CA 1.440 53.421 52.037 -0.094 0.000 0.725 93 A CB -0.858 18.097 19.000 -0.075 0.000 0.784 93 A HN 0.843 nan 8.150 nan 0.000 0.472 94 A N -1.102 121.665 122.820 -0.089 0.000 2.011 94 A HA 0.183 4.481 4.320 -0.037 0.000 0.204 94 A C 2.107 179.674 177.584 -0.029 0.000 1.520 94 A CA 1.438 53.432 52.037 -0.072 0.000 0.819 94 A CB -0.627 18.345 19.000 -0.046 0.000 1.087 94 A HN 0.659 nan 8.150 nan 0.000 0.526 95 T N -2.845 111.723 114.554 0.023 0.000 3.107 95 T HA 0.462 4.790 4.350 -0.037 0.000 0.249 95 T C 0.916 175.813 174.700 0.327 0.000 1.096 95 T CA 0.995 63.209 62.100 0.189 0.000 1.012 95 T CB -0.317 68.638 68.868 0.145 0.000 0.977 95 T HN 2.001 nan 8.240 nan 0.000 0.527 96 G N 0.906 109.779 108.800 0.122 0.000 2.663 96 G HA2 0.013 3.951 3.960 -0.037 0.000 0.686 96 G HA3 0.013 3.951 3.960 -0.037 0.000 0.686 96 G C -0.958 173.891 174.900 -0.086 0.000 1.246 96 G CA -0.981 44.177 45.100 0.096 0.000 0.795 96 G HN 0.301 nan 8.290 nan 0.000 0.627 97 E N -0.333 119.816 120.200 -0.084 0.000 2.351 97 E HA 0.554 4.882 4.350 -0.037 0.000 0.255 97 E C 1.155 177.680 176.600 -0.125 0.000 1.188 97 E CA -0.479 55.836 56.400 -0.143 0.000 0.940 97 E CB 0.765 30.399 29.700 -0.110 0.000 1.094 97 E HN 0.508 nan 8.360 nan 0.000 0.474 98 L N 1.094 122.229 121.223 -0.148 0.000 2.468 98 L HA 0.275 4.593 4.340 -0.037 0.000 0.254 98 L C -1.966 174.891 176.870 -0.021 0.000 1.171 98 L CA -1.902 52.907 54.840 -0.051 0.000 0.809 98 L CB -0.057 41.970 42.059 -0.054 0.000 1.155 98 L HN 0.148 nan 8.230 nan 0.000 0.473 99 P HA -0.002 nan 4.420 nan 0.000 0.268 99 P C -0.607 176.644 177.300 -0.082 0.000 1.208 99 P CA -0.233 62.879 63.100 0.020 0.000 0.777 99 P CB 0.456 32.225 31.700 0.114 0.000 0.875 100 V N 2.844 122.675 119.914 -0.138 0.000 2.963 100 V HA 0.038 4.136 4.120 -0.037 0.000 0.306 100 V C 0.702 176.641 176.094 -0.257 0.000 1.077 100 V CA 0.197 62.341 62.300 -0.260 0.000 1.124 100 V CB -0.090 31.523 31.823 -0.349 0.000 0.987 100 V HN 0.305 nan 8.190 nan 0.000 0.487 101 L N 2.090 123.089 121.223 -0.374 0.000 2.331 101 L HA 0.402 4.720 4.340 -0.037 0.000 0.275 101 L C 1.349 177.973 176.870 -0.411 0.000 1.022 101 L CA -0.331 54.334 54.840 -0.292 0.000 0.812 101 L CB 1.467 43.381 42.059 -0.240 0.000 1.257 101 L HN 0.700 nan 8.230 nan 0.000 0.435 102 E N 1.241 121.347 120.200 -0.157 0.000 2.058 102 E HA -0.262 4.065 4.350 -0.037 0.000 0.194 102 E C 1.558 178.161 176.600 0.005 0.000 0.997 102 E CA 1.949 58.372 56.400 0.038 0.000 0.801 102 E CB 0.199 29.999 29.700 0.167 0.000 0.746 102 E HN 0.759 nan 8.360 nan 0.000 0.450 103 E N 0.071 120.254 120.200 -0.029 0.000 2.401 103 E HA -0.211 4.116 4.350 -0.037 0.000 0.199 103 E C 1.408 177.996 176.600 -0.019 0.000 1.023 103 E CA 1.030 57.438 56.400 0.012 0.000 0.859 103 E CB -0.069 29.637 29.700 0.011 0.000 0.780 103 E HN 0.373 nan 8.360 nan 0.000 0.523 104 E N -0.216 119.898 120.200 -0.144 0.000 2.318 104 E HA -0.019 4.309 4.350 -0.037 0.000 0.193 104 E C 1.280 177.856 176.600 -0.039 0.000 0.998 104 E CA 0.187 56.504 56.400 -0.139 0.000 0.859 104 E CB -0.020 29.530 29.700 -0.249 0.000 0.812 104 E HN 0.256 nan 8.360 nan 0.000 0.492 105 F N 1.908 121.911 119.950 0.088 0.000 2.186 105 F HA -0.091 4.414 4.527 -0.036 0.000 0.299 105 F C 1.920 177.772 175.800 0.087 0.000 1.090 105 F CA 1.007 59.071 58.000 0.108 0.000 1.307 105 F CB -0.377 38.721 39.000 0.163 0.000 1.019 105 F HN -0.001 nan 8.300 nan 0.000 0.489 106 E N -0.448 119.909 120.200 0.261 0.000 2.347 106 E HA -0.077 4.251 4.350 -0.037 0.000 0.196 106 E C 2.232 178.894 176.600 0.103 0.000 1.008 106 E CA 0.609 57.111 56.400 0.169 0.000 0.852 106 E CB -0.129 29.662 29.700 0.151 0.000 0.783 106 E HN 0.197 nan 8.360 nan 0.000 0.505 107 V N 1.194 121.158 119.914 0.082 0.000 2.591 107 V HA -0.177 3.921 4.120 -0.037 0.000 0.249 107 V C 2.400 178.500 176.094 0.011 0.000 1.053 107 V CA 1.434 63.757 62.300 0.038 0.000 1.068 107 V CB -0.064 31.771 31.823 0.021 0.000 0.689 107 V HN 0.288 nan 8.190 nan 0.000 0.462 108 V N -1.571 118.360 119.914 0.027 0.000 2.759 108 V HA -0.168 3.930 4.120 -0.037 0.000 0.256 108 V C 2.038 178.080 176.094 -0.086 0.000 1.080 108 V CA 2.134 64.416 62.300 -0.029 0.000 1.101 108 V CB -0.590 31.243 31.823 0.017 0.000 0.698 108 V HN 0.636 nan 8.190 nan 0.000 0.477 109 E N -0.176 120.011 120.200 -0.020 0.000 2.140 109 E HA -0.138 4.190 4.350 -0.037 0.000 0.191 109 E C 2.329 178.906 176.600 -0.039 0.000 0.973 109 E CA 0.599 56.982 56.400 -0.027 0.000 0.829 109 E CB -0.005 29.722 29.700 0.046 0.000 0.781 109 E HN 0.728 nan 8.360 nan 0.000 0.466 110 Q N 0.429 120.220 119.800 -0.014 0.000 2.079 110 Q HA -0.130 4.187 4.340 -0.037 0.000 0.200 110 Q C 2.283 178.260 176.000 -0.037 0.000 0.974 110 Q CA 0.882 56.681 55.803 -0.007 0.000 0.840 110 Q CB 0.112 28.859 28.738 0.014 0.000 0.898 110 Q HN 0.331 nan 8.270 nan 0.000 0.430 111 L N 0.311 121.494 121.223 -0.067 0.000 1.994 111 L HA -0.208 4.110 4.340 -0.037 0.000 0.208 111 L C 2.387 179.174 176.870 -0.138 0.000 1.071 111 L CA 0.994 55.783 54.840 -0.086 0.000 0.745 111 L CB -0.358 41.646 42.059 -0.093 0.000 0.892 111 L HN 0.312 nan 8.230 nan 0.000 0.431 112 L N -0.551 120.510 121.223 -0.270 0.000 2.275 112 L HA -0.136 4.182 4.340 -0.037 0.000 0.215 112 L C 2.729 179.447 176.870 -0.254 0.000 1.119 112 L CA 0.671 55.221 54.840 -0.483 0.000 0.790 112 L CB -0.634 40.725 42.059 -1.167 0.000 0.919 112 L HN 0.228 nan 8.230 nan 0.000 0.443 113 A N -0.121 122.648 122.820 -0.084 0.000 2.019 113 A HA -0.162 4.135 4.320 -0.037 0.000 0.219 113 A C 2.060 179.698 177.584 0.091 0.000 1.164 113 A CA 1.973 54.059 52.037 0.082 0.000 0.644 113 A CB -0.649 18.389 19.000 0.064 0.000 0.805 113 A HN 0.473 nan 8.150 nan 0.000 0.449 114 T N -3.028 111.548 114.554 0.037 0.000 3.215 114 T HA 0.218 4.545 4.350 -0.037 0.000 0.271 114 T C -0.160 174.563 174.700 0.038 0.000 1.012 114 T CA -0.188 61.936 62.100 0.040 0.000 0.899 114 T CB -0.095 68.785 68.868 0.019 0.000 1.089 114 T HN 0.304 nan 8.240 nan 0.000 0.552 115 D N 1.456 121.891 120.400 0.058 0.000 2.233 115 D HA 0.121 4.739 4.640 -0.037 0.000 0.240 115 D C 0.847 177.215 176.300 0.113 0.000 1.074 115 D CA -0.233 53.804 54.000 0.061 0.000 0.838 115 D CB 1.782 42.598 40.800 0.027 0.000 1.124 115 D HN 0.364 nan 8.370 nan 0.000 0.475 116 E N 4.077 124.319 120.200 0.070 0.000 2.058 116 E HA -0.235 4.093 4.350 -0.037 0.000 0.194 116 E C 1.725 178.370 176.600 0.073 0.000 0.997 116 E CA 1.079 57.516 56.400 0.062 0.000 0.801 116 E CB 0.195 29.915 29.700 0.033 0.000 0.746 116 E HN 0.517 nan 8.360 nan 0.000 0.450 117 R N 0.155 120.703 120.500 0.080 0.000 2.189 117 R HA -0.116 4.202 4.340 -0.037 0.000 0.218 117 R C 2.305 178.687 176.300 0.136 0.000 1.074 117 R CA 0.924 57.070 56.100 0.076 0.000 0.991 117 R CB -0.938 29.390 30.300 0.046 0.000 0.883 117 R HN 0.465 nan 8.270 nan 0.000 0.457 118 W N 2.134 123.414 121.300 -0.034 0.000 2.441 118 W HA -0.024 4.631 4.660 -0.009 0.000 0.302 118 W C 1.587 178.094 176.519 -0.021 0.000 1.191 118 W CA 0.593 57.920 57.345 -0.030 0.000 1.327 118 W CB -0.106 29.340 29.460 -0.024 0.000 1.128 118 W HN 0.007 nan 8.180 nan 0.000 0.522 119 L N 1.004 122.328 121.223 0.169 0.000 2.131 119 L HA -0.241 4.077 4.340 -0.037 0.000 0.210 119 L C 2.658 179.503 176.870 -0.043 0.000 1.092 119 L CA 1.477 56.340 54.840 0.038 0.000 0.759 119 L CB -0.834 41.273 42.059 0.080 0.000 0.903 119 L HN -0.087 nan 8.230 nan 0.000 0.435 120 K N 0.266 120.653 120.400 -0.022 0.000 2.155 120 K HA -0.124 4.174 4.320 -0.037 0.000 0.203 120 K C 2.127 178.673 176.600 -0.091 0.000 1.052 120 K CA 1.063 57.325 56.287 -0.043 0.000 0.948 120 K CB 0.043 32.531 32.500 -0.020 0.000 0.728 120 K HN 0.275 nan 8.250 nan 0.000 0.448 121 A N 1.297 124.034 122.820 -0.138 0.000 1.898 121 A HA -0.094 4.204 4.320 -0.037 0.000 0.216 121 A C 2.031 179.461 177.584 -0.257 0.000 1.181 121 A CA 1.053 52.968 52.037 -0.203 0.000 0.620 121 A CB -0.444 18.390 19.000 -0.277 0.000 0.819 121 A HN 0.274 nan 8.150 nan 0.000 0.442 122 L N -1.029 119.997 121.223 -0.328 0.000 2.217 122 L HA -0.078 4.239 4.340 -0.037 0.000 0.211 122 L C 2.957 179.731 176.870 -0.159 0.000 1.107 122 L CA 0.751 55.419 54.840 -0.287 0.000 0.783 122 L CB -0.520 41.342 42.059 -0.330 0.000 0.919 122 L HN 0.434 nan 8.230 nan 0.000 0.442 123 A N 0.405 123.153 122.820 -0.121 0.000 1.929 123 A HA -0.049 4.249 4.320 -0.037 0.000 0.216 123 A C 2.484 180.025 177.584 -0.073 0.000 1.176 123 A CA 1.370 53.361 52.037 -0.077 0.000 0.628 123 A CB -0.503 18.463 19.000 -0.056 0.000 0.816 123 A HN 0.345 nan 8.150 nan 0.000 0.444 124 A N -0.583 122.188 122.820 -0.082 0.000 2.172 124 A HA -0.050 4.248 4.320 -0.037 0.000 0.216 124 A C 1.987 179.527 177.584 -0.072 0.000 1.154 124 A CA 1.195 53.190 52.037 -0.071 0.000 0.701 124 A CB -0.298 18.658 19.000 -0.072 0.000 0.789 124 A HN 0.531 nan 8.150 nan 0.000 0.465 125 R N -0.879 119.569 120.500 -0.086 0.000 2.472 125 R HA 0.131 4.449 4.340 -0.037 0.000 0.279 125 R C -0.284 175.975 176.300 -0.068 0.000 0.953 125 R CA -0.021 56.032 56.100 -0.078 0.000 1.088 125 R CB 0.237 30.479 30.300 -0.098 0.000 1.197 125 R HN 0.405 nan 8.270 nan 0.000 0.536 126 N N 1.178 119.839 118.700 -0.064 0.000 2.727 126 N HA -0.190 4.528 4.740 -0.037 0.000 0.249 126 N C -1.004 174.474 175.510 -0.054 0.000 1.048 126 N CA 0.982 54.001 53.050 -0.051 0.000 0.714 126 N CB -1.162 37.301 38.487 -0.040 0.000 0.959 126 N HN 0.288 nan 8.380 nan 0.000 0.544 127 L N 0.303 121.484 121.223 -0.070 0.000 2.296 127 L HA 0.318 4.636 4.340 -0.037 0.000 0.286 127 L C 0.563 177.401 176.870 -0.054 0.000 1.023 127 L CA -0.812 53.986 54.840 -0.069 0.000 0.812 127 L CB 1.437 43.436 42.059 -0.099 0.000 1.223 127 L HN -0.103 nan 8.230 nan 0.000 0.421 128 D N 1.997 122.378 120.400 -0.032 0.000 2.343 128 D HA 0.093 4.711 4.640 -0.037 0.000 0.255 128 D C 0.954 177.257 176.300 0.005 0.000 1.187 128 D CA -0.257 53.736 54.000 -0.011 0.000 0.875 128 D CB 1.862 42.661 40.800 -0.002 0.000 1.136 128 D HN 0.237 nan 8.370 nan 0.000 0.469 129 V N 3.287 123.214 119.914 0.022 0.000 2.546 129 V HA -0.260 3.838 4.120 -0.037 0.000 0.254 129 V C 2.250 178.389 176.094 0.075 0.000 1.076 129 V CA 2.144 64.485 62.300 0.067 0.000 1.087 129 V CB -0.871 31.010 31.823 0.097 0.000 0.674 129 V HN 0.716 nan 8.190 nan 0.000 0.470 130 S N -0.610 115.120 115.700 0.051 0.000 2.555 130 S HA -0.039 4.409 4.470 -0.037 0.000 0.230 130 S C 1.545 176.171 174.600 0.043 0.000 0.978 130 S CA 0.675 58.904 58.200 0.049 0.000 0.934 130 S CB -0.227 62.996 63.200 0.039 0.000 0.766 130 S HN 0.693 nan 8.310 nan 0.000 0.533 131 K N 0.442 120.863 120.400 0.036 0.000 2.373 131 K HA 0.311 4.609 4.320 -0.037 0.000 0.200 131 K C -0.661 175.956 176.600 0.029 0.000 1.054 131 K CA -0.041 56.260 56.287 0.023 0.000 1.065 131 K CB 1.083 33.587 32.500 0.008 0.000 0.886 131 K HN 0.186 nan 8.250 nan 0.000 0.546 132 V N 3.493 123.440 119.914 0.056 0.000 2.385 132 V HA 0.191 4.289 4.120 -0.037 0.000 0.269 132 V C 0.044 176.212 176.094 0.123 0.000 1.043 132 V CA -0.568 61.783 62.300 0.085 0.000 0.906 132 V CB 0.810 32.696 31.823 0.105 0.000 0.995 132 V HN 0.146 nan 8.190 nan 0.000 0.467 133 R N 3.746 124.308 120.500 0.104 0.000 2.407 133 R HA 0.592 4.910 4.340 -0.037 0.000 0.303 133 R C -0.886 175.521 176.300 0.178 0.000 0.981 133 R CA -0.577 55.582 56.100 0.098 0.000 0.905 133 R CB 1.868 32.167 30.300 -0.000 0.000 1.099 133 R HN 0.447 nan 8.270 nan 0.000 0.459 134 V N 2.202 122.224 119.914 0.179 0.000 2.398 134 V HA 0.438 4.536 4.120 -0.037 0.000 0.286 134 V C 0.197 176.419 176.094 0.213 0.000 1.026 134 V CA -1.036 61.399 62.300 0.226 0.000 0.868 134 V CB 1.648 33.555 31.823 0.140 0.000 0.982 134 V HN 0.827 nan 8.190 nan 0.000 0.443 135 A N 7.767 130.779 122.820 0.321 0.000 2.279 135 A HA 0.630 4.928 4.320 -0.037 0.000 0.306 135 A C -2.198 175.574 177.584 0.313 0.000 1.300 135 A CA -1.523 50.715 52.037 0.335 0.000 0.925 135 A CB 0.195 19.526 19.000 0.551 0.000 1.152 135 A HN 0.616 nan 8.150 nan 0.000 0.544 136 P HA 0.214 nan 4.420 nan 0.000 0.273 136 P C -0.700 176.781 177.300 0.303 0.000 1.428 136 P CA 0.355 63.617 63.100 0.269 0.000 0.995 136 P CB 0.220 32.157 31.700 0.394 0.000 1.286 137 L N 2.331 123.732 121.223 0.296 0.000 2.343 137 L HA 0.344 4.662 4.340 -0.037 0.000 0.275 137 L C 1.354 178.367 176.870 0.238 0.000 1.056 137 L CA -0.831 54.185 54.840 0.292 0.000 0.804 137 L CB 1.293 43.572 42.059 0.367 0.000 1.203 137 L HN 0.302 nan 8.230 nan 0.000 0.440 138 S N 1.362 117.201 115.700 0.231 0.000 2.573 138 S HA 0.480 4.928 4.470 -0.037 0.000 0.277 138 S C -0.103 174.599 174.600 0.171 0.000 1.346 138 S CA -0.693 57.583 58.200 0.126 0.000 1.034 138 S CB 1.235 64.496 63.200 0.101 0.000 0.879 138 S HN 0.705 nan 8.310 nan 0.000 0.528 139 A N 2.276 125.139 122.820 0.071 0.000 2.303 139 A HA 0.749 5.047 4.320 -0.037 0.000 0.320 139 A C 0.711 178.386 177.584 0.152 0.000 1.192 139 A CA -0.386 51.687 52.037 0.060 0.000 0.821 139 A CB 0.565 19.495 19.000 -0.118 0.000 1.188 139 A HN 1.210 nan 8.150 nan 0.000 0.492 140 G N 0.009 109.018 108.800 0.348 0.000 2.485 140 G HA2 0.468 4.406 3.960 -0.037 0.000 0.260 140 G HA3 0.468 4.406 3.960 -0.037 0.000 0.260 140 G C -0.600 174.224 174.900 -0.128 0.000 1.459 140 G CA -0.268 44.898 45.100 0.109 0.000 1.060 140 G HN 0.888 nan 8.290 nan 0.000 0.546 141 V N 0.779 120.392 119.914 -0.501 0.000 2.350 141 V HA 0.552 4.650 4.120 -0.037 0.000 0.285 141 V C -0.787 174.860 176.094 -0.744 0.000 1.014 141 V CA -0.247 61.813 62.300 -0.400 0.000 0.831 141 V CB 0.427 32.078 31.823 -0.287 0.000 1.000 141 V HN 0.489 nan 8.190 nan 0.000 0.433 142 F N 1.511 121.426 119.950 -0.058 0.000 3.145 142 F HA 0.467 4.973 4.527 -0.035 0.000 0.324 142 F C 1.573 177.226 175.800 -0.245 0.000 1.467 142 F CA -0.762 57.157 58.000 -0.135 0.000 1.048 142 F CB 0.197 39.109 39.000 -0.147 0.000 1.698 142 F HN 0.316 nan 8.300 nan 0.000 0.427 143 E N 0.154 120.218 120.200 -0.228 0.000 2.023 143 E HA -0.175 4.152 4.350 -0.037 0.000 0.196 143 E C -0.135 176.323 176.600 -0.236 0.000 1.003 143 E CA 1.440 57.649 56.400 -0.319 0.000 0.809 143 E CB -0.862 28.571 29.700 -0.445 0.000 0.755 143 E HN 0.318 nan 8.360 nan 0.000 0.449 144 Y N 0.903 121.260 120.300 0.095 0.000 2.833 144 Y HA 0.018 4.546 4.550 -0.036 0.000 0.391 144 Y C 1.390 177.307 175.900 0.029 0.000 1.389 144 Y CA 0.040 58.180 58.100 0.066 0.000 1.817 144 Y CB -1.158 37.347 38.460 0.075 0.000 1.258 144 Y HN 0.044 nan 8.280 nan 0.000 0.488 145 A N 2.572 125.471 122.820 0.131 0.000 2.121 145 A HA -0.158 4.140 4.320 -0.037 0.000 0.218 145 A C 1.778 179.396 177.584 0.057 0.000 1.154 145 A CA 1.025 53.100 52.037 0.063 0.000 0.679 145 A CB -0.419 18.603 19.000 0.038 0.000 0.795 145 A HN 0.789 nan 8.150 nan 0.000 0.458 146 E N 0.203 120.454 120.200 0.085 0.000 2.502 146 E HA -0.003 4.325 4.350 -0.037 0.000 0.194 146 E C 1.153 177.776 176.600 0.038 0.000 1.062 146 E CA 0.761 57.193 56.400 0.052 0.000 0.867 146 E CB -0.092 29.640 29.700 0.053 0.000 0.888 146 E HN 0.718 nan 8.360 nan 0.000 0.510 147 E N 1.072 121.304 120.200 0.053 0.000 2.400 147 E HA 0.064 4.392 4.350 -0.037 0.000 0.195 147 E C 0.099 176.694 176.600 -0.009 0.000 1.012 147 E CA -0.217 56.196 56.400 0.022 0.000 0.875 147 E CB 0.180 29.905 29.700 0.041 0.000 0.859 147 E HN 0.167 nan 8.360 nan 0.000 0.498 148 R N 0.480 120.973 120.500 -0.012 0.000 2.480 148 R HA 0.094 4.412 4.340 -0.037 0.000 0.303 148 R C 0.998 177.272 176.300 -0.042 0.000 0.985 148 R CA 0.784 56.860 56.100 -0.039 0.000 1.051 148 R CB 0.140 30.415 30.300 -0.041 0.000 0.935 148 R HN 0.291 nan 8.270 nan 0.000 0.410 149 G N 2.656 111.422 108.800 -0.057 0.000 2.284 149 G HA2 -0.342 3.595 3.960 -0.037 0.000 0.247 149 G HA3 -0.342 3.595 3.960 -0.037 0.000 0.247 149 G C 0.186 175.057 174.900 -0.049 0.000 1.012 149 G CA -0.074 44.992 45.100 -0.057 0.000 0.618 149 G HN 0.544 nan 8.290 nan 0.000 0.521 150 R N 0.386 120.862 120.500 -0.040 0.000 2.404 150 R HA 0.544 4.862 4.340 -0.037 0.000 0.291 150 R C 0.538 176.812 176.300 -0.043 0.000 1.025 150 R CA -0.682 55.398 56.100 -0.034 0.000 0.991 150 R CB 0.959 31.244 30.300 -0.025 0.000 1.053 150 R HN 0.261 nan 8.270 nan 0.000 0.479 151 R N 3.272 123.749 120.500 -0.040 0.000 2.308 151 R HA 0.159 4.476 4.340 -0.037 0.000 0.325 151 R C -0.822 175.442 176.300 -0.060 0.000 1.161 151 R CA -0.298 55.767 56.100 -0.058 0.000 1.022 151 R CB 0.079 30.345 30.300 -0.057 0.000 1.091 151 R HN 0.363 nan 8.270 nan 0.000 0.497 152 I N 4.227 124.757 120.570 -0.067 0.000 2.577 152 I HA 0.416 4.564 4.170 -0.037 0.000 0.305 152 I C -0.139 175.930 176.117 -0.080 0.000 0.986 152 I CA -0.859 60.397 61.300 -0.073 0.000 1.189 152 I CB 1.762 39.710 38.000 -0.086 0.000 1.355 152 I HN 0.539 nan 8.210 nan 0.000 0.476 153 L N 4.582 125.760 121.223 -0.075 0.000 2.424 153 L HA 0.602 4.920 4.340 -0.037 0.000 0.258 153 L C -0.677 176.133 176.870 -0.099 0.000 0.995 153 L CA -0.937 53.872 54.840 -0.051 0.000 0.821 153 L CB 2.384 44.456 42.059 0.023 0.000 1.383 153 L HN 0.484 nan 8.230 nan 0.000 0.410 154 R N 0.302 120.719 120.500 -0.138 0.000 2.670 154 R HA 0.696 5.013 4.340 -0.037 0.000 0.289 154 R C -0.393 175.909 176.300 0.005 0.000 0.965 154 R CA -0.748 55.221 56.100 -0.219 0.000 0.899 154 R CB 2.248 32.030 30.300 -0.863 0.000 1.173 154 R HN 0.751 nan 8.270 nan 0.000 0.456 155 G N 2.076 110.917 108.800 0.069 0.000 2.453 155 G HA2 0.678 4.616 3.960 -0.037 0.000 0.323 155 G HA3 0.678 4.616 3.960 -0.037 0.000 0.323 155 G C -1.048 174.043 174.900 0.319 0.000 1.198 155 G CA -0.600 44.605 45.100 0.176 0.000 0.959 155 G HN 0.289 nan 8.290 nan 0.000 0.482 156 L N 0.875 122.341 121.223 0.404 0.000 2.436 156 L HA 0.645 4.963 4.340 -0.037 0.000 0.268 156 L C 0.293 177.313 176.870 0.250 0.000 0.974 156 L CA -1.036 54.028 54.840 0.372 0.000 0.826 156 L CB 2.256 44.621 42.059 0.510 0.000 1.291 156 L HN 0.680 nan 8.230 nan 0.000 0.406 157 A N 2.970 125.825 122.820 0.059 0.000 2.304 157 A HA 0.830 5.128 4.320 -0.037 0.000 0.301 157 A C -1.218 176.057 177.584 -0.514 0.000 1.132 157 A CA -0.071 51.951 52.037 -0.025 0.000 0.819 157 A CB 0.380 19.422 19.000 0.070 0.000 1.094 157 A HN 0.492 nan 8.150 nan 0.000 0.492 158 F N 1.064 121.001 119.950 -0.022 0.000 2.557 158 F HA 0.407 4.914 4.527 -0.033 0.000 0.316 158 F C -0.095 175.664 175.800 -0.068 0.000 1.141 158 F CA -0.640 57.300 58.000 -0.100 0.000 0.922 158 F CB 2.211 41.036 39.000 -0.290 0.000 1.194 158 F HN 0.320 nan 8.300 nan 0.000 0.443 159 V N 3.051 123.037 119.914 0.119 0.000 2.530 159 V HA 0.263 4.361 4.120 -0.037 0.000 0.282 159 V C -0.230 175.922 176.094 0.096 0.000 1.048 159 V CA -0.453 61.887 62.300 0.066 0.000 0.997 159 V CB 1.353 33.174 31.823 -0.004 0.000 0.987 159 V HN 0.758 nan 8.190 nan 0.000 0.477 160 Q N 2.430 122.236 119.800 0.011 0.000 2.413 160 Q HA 0.231 4.549 4.340 -0.037 0.000 0.258 160 Q C -0.009 175.952 176.000 -0.065 0.000 1.037 160 Q CA -0.649 55.128 55.803 -0.044 0.000 0.764 160 Q CB 1.201 29.881 28.738 -0.097 0.000 1.217 160 Q HN 0.798 nan 8.270 nan 0.000 0.490 161 D N 2.799 123.152 120.400 -0.079 0.000 2.190 161 D HA -0.089 4.529 4.640 -0.037 0.000 0.200 161 D C 0.127 176.549 176.300 0.204 0.000 0.992 161 D CA 1.500 55.523 54.000 0.038 0.000 0.854 161 D CB 0.015 40.892 40.800 0.127 0.000 0.936 161 D HN 0.447 nan 8.370 nan 0.000 0.462 162 F N -4.710 115.235 119.950 -0.007 0.000 2.741 162 F HA 0.391 4.891 4.527 -0.044 0.000 0.313 162 F C -2.279 173.518 175.800 -0.006 0.000 1.153 162 F CA -1.979 56.014 58.000 -0.011 0.000 0.931 162 F CB 0.570 39.558 39.000 -0.021 0.000 1.335 162 F HN -0.402 nan 8.300 nan 0.000 0.460 163 P HA -0.190 nan 4.420 nan 0.000 0.217 163 P C 0.257 177.540 177.300 -0.028 0.000 1.148 163 P CA 1.978 65.107 63.100 0.049 0.000 0.834 163 P CB 0.208 31.966 31.700 0.097 0.000 0.783 164 E N -0.780 119.414 120.200 -0.009 0.000 2.465 164 E HA 0.074 4.402 4.350 -0.037 0.000 0.195 164 E C 0.033 176.395 176.600 -0.397 0.000 1.028 164 E CA -0.347 56.010 56.400 -0.071 0.000 0.899 164 E CB -0.013 29.784 29.700 0.161 0.000 1.032 164 E HN 0.236 nan 8.360 nan 0.000 0.468 165 D N 0.696 120.561 120.400 -0.891 0.000 2.302 165 D HA 0.014 4.632 4.640 -0.037 0.000 0.248 165 D C -0.490 175.579 176.300 -0.386 0.000 1.094 165 D CA -0.033 53.421 54.000 -0.910 0.000 0.897 165 D CB 1.197 41.286 40.800 -1.184 0.000 1.200 165 D HN -0.167 nan 8.370 nan 0.000 0.429 166 S N 2.474 118.030 115.700 -0.241 0.000 2.494 166 S HA 0.376 4.824 4.470 -0.037 0.000 0.312 166 S C 1.085 175.608 174.600 -0.130 0.000 1.121 166 S CA -0.252 57.873 58.200 -0.125 0.000 1.068 166 S CB 0.052 63.224 63.200 -0.047 0.000 1.141 166 S HN 0.509 nan 8.310 nan 0.000 0.527 167 A N 4.783 127.433 122.820 -0.283 0.000 2.125 167 A HA -0.031 4.267 4.320 -0.037 0.000 0.219 167 A C 1.385 178.834 177.584 -0.225 0.000 1.156 167 A CA 0.796 52.691 52.037 -0.237 0.000 0.671 167 A CB -0.660 18.127 19.000 -0.354 0.000 0.794 167 A HN 0.993 nan 8.150 nan 0.000 0.459 168 W N -0.384 120.851 121.300 -0.108 0.000 2.465 168 W HA 0.059 4.701 4.660 -0.031 0.000 0.268 168 W C 2.397 178.960 176.519 0.073 0.000 1.242 168 W CA 0.652 57.902 57.345 -0.158 0.000 1.248 168 W CB -0.041 29.338 29.460 -0.135 0.000 1.118 168 W HN 0.358 nan 8.180 nan 0.000 0.587 169 A N -0.486 122.443 122.820 0.181 0.000 2.168 169 A HA -0.069 4.228 4.320 -0.037 0.000 0.215 169 A C 0.019 177.372 177.584 -0.383 0.000 1.152 169 A CA 0.822 52.829 52.037 -0.051 0.000 0.716 169 A CB -0.860 18.035 19.000 -0.176 0.000 0.794 169 A HN 0.460 nan 8.150 nan 0.000 0.465 170 H N -0.223 118.960 119.070 0.187 0.000 2.348 170 H HA 0.281 4.826 4.556 -0.019 0.000 0.232 170 H C -2.854 172.519 175.328 0.074 0.000 1.419 170 H CA -1.992 54.117 56.048 0.102 0.000 1.416 170 H CB 0.601 30.401 29.762 0.063 0.000 1.510 170 H HN 0.254 nan 8.280 nan 0.000 0.507 171 P HA 0.015 nan 4.420 nan 0.000 0.275 171 P C -0.058 177.082 177.300 -0.266 0.000 1.227 171 P CA -0.319 62.613 63.100 -0.280 0.000 0.781 171 P CB 2.159 33.749 31.700 -0.182 0.000 0.906 172 V N 3.842 123.513 119.914 -0.404 0.000 2.288 172 V HA 0.148 4.246 4.120 -0.037 0.000 0.266 172 V C 0.641 176.604 176.094 -0.218 0.000 1.048 172 V CA -0.195 61.965 62.300 -0.234 0.000 0.842 172 V CB 0.371 32.059 31.823 -0.225 0.000 1.064 172 V HN 0.530 nan 8.190 nan 0.000 0.472 173 D N 3.177 123.475 120.400 -0.170 0.000 2.329 173 D HA 0.440 5.058 4.640 -0.037 0.000 0.246 173 D C 1.213 177.500 176.300 -0.022 0.000 1.111 173 D CA 1.316 55.172 54.000 -0.241 0.000 0.941 173 D CB 1.810 42.220 40.800 -0.650 0.000 1.169 173 D HN 0.770 nan 8.370 nan 0.000 0.441 174 G N 0.809 109.594 108.800 -0.026 0.000 2.159 174 G HA2 -0.222 3.716 3.960 -0.037 0.000 0.256 174 G HA3 -0.222 3.716 3.960 -0.037 0.000 0.256 174 G C -0.129 174.816 174.900 0.075 0.000 0.977 174 G CA 0.487 45.681 45.100 0.158 0.000 0.652 174 G HN 0.462 nan 8.290 nan 0.000 0.531 175 L N 0.857 122.099 121.223 0.031 0.000 2.409 175 L HA 0.809 5.127 4.340 -0.037 0.000 0.272 175 L C -0.227 176.728 176.870 0.142 0.000 0.980 175 L CA -1.161 53.698 54.840 0.031 0.000 0.826 175 L CB 2.282 44.277 42.059 -0.106 0.000 1.268 175 L HN 0.680 nan 8.230 nan 0.000 0.407 176 V N 1.925 121.948 119.914 0.181 0.000 2.971 176 V HA 1.051 5.149 4.120 -0.037 0.000 0.309 176 V C -0.564 175.597 176.094 0.113 0.000 1.130 176 V CA -0.473 61.965 62.300 0.231 0.000 0.964 176 V CB 1.275 33.256 31.823 0.262 0.000 1.029 176 V HN 1.086 nan 8.190 nan 0.000 0.427 177 A N 2.364 125.237 122.820 0.088 0.000 2.437 177 A HA 0.863 5.161 4.320 -0.037 0.000 0.293 177 A C -1.639 175.928 177.584 -0.029 0.000 1.038 177 A CA -0.494 51.483 52.037 -0.100 0.000 0.708 177 A CB 1.284 20.217 19.000 -0.110 0.000 1.251 177 A HN 0.810 nan 8.150 nan 0.000 0.409 178 Y N 0.835 121.011 120.300 -0.207 0.000 2.334 178 Y HA 0.622 5.150 4.550 -0.036 0.000 0.328 178 Y C 0.182 175.969 175.900 -0.188 0.000 1.130 178 Y CA -1.648 56.309 58.100 -0.240 0.000 1.163 178 Y CB 1.347 39.631 38.460 -0.294 0.000 1.207 178 Y HN 0.383 nan 8.280 nan 0.000 0.471 179 V N 2.634 122.549 119.914 0.002 0.000 2.686 179 V HA 0.210 4.308 4.120 -0.037 0.000 0.306 179 V C -0.729 175.342 176.094 -0.038 0.000 1.065 179 V CA -1.182 61.092 62.300 -0.044 0.000 0.894 179 V CB 2.259 34.036 31.823 -0.075 0.000 1.004 179 V HN 0.694 nan 8.190 nan 0.000 0.424 180 D N 3.148 123.527 120.400 -0.035 0.000 2.365 180 D HA 0.234 4.852 4.640 -0.037 0.000 0.237 180 D C 0.818 177.101 176.300 -0.028 0.000 1.190 180 D CA -0.057 53.924 54.000 -0.031 0.000 0.867 180 D CB 2.011 42.796 40.800 -0.025 0.000 1.050 180 D HN 0.268 nan 8.370 nan 0.000 0.491 181 V N 3.805 123.702 119.914 -0.029 0.000 2.667 181 V HA -0.184 3.913 4.120 -0.037 0.000 0.252 181 V C 2.337 178.430 176.094 -0.001 0.000 1.065 181 V CA 1.452 63.739 62.300 -0.023 0.000 1.083 181 V CB -0.344 31.454 31.823 -0.041 0.000 0.692 181 V HN 0.653 nan 8.190 nan 0.000 0.468 182 V N -0.474 119.446 119.914 0.010 0.000 2.346 182 V HA -0.079 4.019 4.120 -0.037 0.000 0.244 182 V C 2.343 178.444 176.094 0.011 0.000 1.037 182 V CA 1.838 64.159 62.300 0.035 0.000 1.029 182 V CB -1.049 30.808 31.823 0.056 0.000 0.663 182 V HN 0.605 nan 8.190 nan 0.000 0.454 183 S N -0.788 114.911 115.700 -0.001 0.000 2.558 183 S HA 0.090 4.538 4.470 -0.037 0.000 0.217 183 S C 0.829 175.423 174.600 -0.009 0.000 0.975 183 S CA 0.089 58.285 58.200 -0.007 0.000 0.912 183 S CB -0.665 62.528 63.200 -0.012 0.000 0.776 183 S HN 0.690 nan 8.310 nan 0.000 0.526 184 K N 1.141 121.535 120.400 -0.011 0.000 3.653 184 K HA -0.154 4.144 4.320 -0.037 0.000 0.275 184 K C -1.007 175.579 176.600 -0.024 0.000 0.962 184 K CA 0.834 57.111 56.287 -0.016 0.000 0.773 184 K CB -1.818 30.677 32.500 -0.009 0.000 1.463 184 K HN 0.683 nan 8.250 nan 0.000 0.450 185 E N -0.060 120.121 120.200 -0.030 0.000 2.314 185 E HA 0.338 4.666 4.350 -0.037 0.000 0.272 185 E C -0.709 175.862 176.600 -0.049 0.000 0.884 185 E CA -1.031 55.348 56.400 -0.035 0.000 0.753 185 E CB 2.485 32.168 29.700 -0.027 0.000 1.213 185 E HN 0.019 nan 8.360 nan 0.000 0.432 186 V N 2.703 122.580 119.914 -0.061 0.000 2.389 186 V HA 0.020 4.117 4.120 -0.037 0.000 0.264 186 V C 1.420 177.472 176.094 -0.070 0.000 1.049 186 V CA 0.321 62.572 62.300 -0.081 0.000 0.932 186 V CB 0.650 32.410 31.823 -0.105 0.000 1.011 186 V HN 0.971 nan 8.190 nan 0.000 0.475 187 T N 2.852 117.367 114.554 -0.064 0.000 2.985 187 T HA 0.142 4.469 4.350 -0.037 0.000 0.266 187 T C 0.806 175.434 174.700 -0.119 0.000 1.076 187 T CA 0.531 62.593 62.100 -0.063 0.000 1.135 187 T CB 0.303 69.154 68.868 -0.029 0.000 0.890 187 T HN 0.526 nan 8.240 nan 0.000 0.480 188 R N -1.141 119.240 120.500 -0.199 0.000 2.690 188 R HA 0.642 4.960 4.340 -0.037 0.000 0.269 188 R C -2.309 173.790 176.300 -0.335 0.000 1.037 188 R CA -0.719 55.188 56.100 -0.322 0.000 0.877 188 R CB 2.608 32.556 30.300 -0.587 0.000 1.255 188 R HN 0.064 nan 8.270 nan 0.000 0.467 189 V N 3.320 123.083 119.914 -0.252 0.000 2.577 189 V HA 0.431 4.529 4.120 -0.037 0.000 0.294 189 V C -0.804 175.216 176.094 -0.124 0.000 1.052 189 V CA -0.516 61.717 62.300 -0.112 0.000 0.891 189 V CB 1.736 33.589 31.823 0.051 0.000 1.017 189 V HN 0.541 nan 8.190 nan 0.000 0.436 190 I N 3.923 124.408 120.570 -0.141 0.000 2.354 190 I HA 0.491 4.639 4.170 -0.037 0.000 0.292 190 I C -0.701 175.409 176.117 -0.010 0.000 0.989 190 I CA -0.187 61.062 61.300 -0.086 0.000 1.188 190 I CB 1.771 39.705 38.000 -0.110 0.000 1.342 190 I HN 0.496 nan 8.210 nan 0.000 0.457 191 D N 4.767 125.164 120.400 -0.005 0.000 2.454 191 D HA 0.149 4.767 4.640 -0.037 0.000 0.247 191 D C 0.938 177.251 176.300 0.023 0.000 1.129 191 D CA -0.311 53.691 54.000 0.004 0.000 0.877 191 D CB 1.491 42.277 40.800 -0.023 0.000 1.082 191 D HN 0.659 nan 8.370 nan 0.000 0.537 192 T N 0.272 114.862 114.554 0.060 0.000 3.067 192 T HA 0.400 4.728 4.350 -0.037 0.000 0.261 192 T C 0.988 175.723 174.700 0.059 0.000 1.110 192 T CA 0.418 62.563 62.100 0.074 0.000 1.113 192 T CB 0.392 69.332 68.868 0.119 0.000 0.917 192 T HN 0.492 nan 8.240 nan 0.000 0.499 193 G N 0.574 109.409 108.800 0.058 0.000 2.347 193 G HA2 0.387 4.324 3.960 -0.037 0.000 0.303 193 G HA3 0.387 4.324 3.960 -0.037 0.000 0.303 193 G C -1.152 173.734 174.900 -0.025 0.000 1.481 193 G CA -0.518 44.561 45.100 -0.035 0.000 0.914 193 G HN 0.881 nan 8.290 nan 0.000 0.638 194 V N -1.402 118.433 119.914 -0.133 0.000 2.465 194 V HA 0.871 4.969 4.120 -0.037 0.000 0.279 194 V C -0.559 175.408 176.094 -0.211 0.000 1.045 194 V CA -0.847 61.400 62.300 -0.088 0.000 0.938 194 V CB 0.687 32.457 31.823 -0.088 0.000 0.986 194 V HN 0.606 nan 8.190 nan 0.000 0.467 195 F N 3.949 123.863 119.950 -0.060 0.000 2.520 195 F HA 0.706 5.204 4.527 -0.048 0.000 0.322 195 F C -2.011 173.761 175.800 -0.047 0.000 1.103 195 F CA -2.275 55.694 58.000 -0.052 0.000 0.926 195 F CB 1.974 40.942 39.000 -0.053 0.000 1.154 195 F HN 0.415 nan 8.300 nan 0.000 0.453 196 P HA 0.093 nan 4.420 nan 0.000 0.265 196 P C -0.852 176.500 177.300 0.087 0.000 1.193 196 P CA -0.144 63.000 63.100 0.074 0.000 0.765 196 P CB 0.548 32.285 31.700 0.062 0.000 0.823 197 V N 6.693 126.640 119.914 0.054 0.000 2.408 197 V HA 0.157 4.255 4.120 -0.037 0.000 0.267 197 V C -1.841 174.308 176.094 0.092 0.000 1.047 197 V CA -1.505 60.830 62.300 0.058 0.000 0.937 197 V CB 0.490 32.328 31.823 0.026 0.000 0.999 197 V HN 0.588 nan 8.190 nan 0.000 0.472 198 P HA 0.003 nan 4.420 nan 0.000 0.260 198 P C 0.410 177.867 177.300 0.262 0.000 1.172 198 P CA 0.403 63.581 63.100 0.131 0.000 0.760 198 P CB 0.736 32.475 31.700 0.065 0.000 0.773 199 A N 3.562 126.499 122.820 0.195 0.000 2.044 199 A HA 0.001 4.299 4.320 -0.037 0.000 0.213 199 A C 0.891 178.654 177.584 0.299 0.000 1.169 199 A CA 0.316 52.479 52.037 0.209 0.000 0.724 199 A CB -0.358 18.705 19.000 0.106 0.000 0.840 199 A HN 0.531 nan 8.150 nan 0.000 0.463 200 E N 1.537 121.877 120.200 0.234 0.000 2.452 200 E HA 0.036 4.364 4.350 -0.037 0.000 0.261 200 E C -0.056 176.728 176.600 0.306 0.000 0.987 200 E CA -0.103 56.428 56.400 0.219 0.000 0.926 200 E CB 0.270 30.044 29.700 0.124 0.000 0.934 200 E HN 0.735 nan 8.360 nan 0.000 0.452 201 H N 1.095 120.323 119.070 0.263 0.000 2.597 201 H HA 0.271 4.802 4.556 -0.041 0.000 0.370 201 H C 0.232 175.669 175.328 0.182 0.000 1.281 201 H CA -0.201 55.989 56.048 0.236 0.000 1.422 201 H CB 1.027 30.924 29.762 0.225 0.000 1.524 201 H HN 0.589 nan 8.280 nan 0.000 0.607 202 G N 1.482 110.396 108.800 0.189 0.000 4.683 202 G HA2 -0.007 3.930 3.960 -0.037 0.000 0.273 202 G HA3 -0.007 3.930 3.960 -0.037 0.000 0.273 202 G C -0.607 174.245 174.900 -0.080 0.000 1.065 202 G CA -0.553 44.552 45.100 0.009 0.000 0.837 202 G HN 0.577 nan 8.290 nan 0.000 0.526 203 N N 1.854 120.683 118.700 0.215 0.000 2.508 203 N HA 0.100 4.818 4.740 -0.037 0.000 0.253 203 N C 0.805 176.219 175.510 -0.161 0.000 1.145 203 N CA -0.399 52.586 53.050 -0.109 0.000 0.973 203 N CB 0.533 39.031 38.487 0.019 0.000 1.305 203 N HN 0.534 nan 8.380 nan 0.000 0.506 204 Y N -0.264 120.029 120.300 -0.013 0.000 2.716 204 Y HA -0.015 4.513 4.550 -0.035 0.000 0.302 204 Y C 1.486 177.385 175.900 -0.000 0.000 1.160 204 Y CA 0.163 58.236 58.100 -0.044 0.000 1.362 204 Y CB -0.894 37.495 38.460 -0.119 0.000 0.988 204 Y HN 0.256 nan 8.280 nan 0.000 0.546 205 T N -3.840 110.680 114.554 -0.056 0.000 2.990 205 T HA 0.042 4.370 4.350 -0.037 0.000 0.250 205 T C 0.104 174.820 174.700 0.028 0.000 1.041 205 T CA 0.016 62.130 62.100 0.022 0.000 1.010 205 T CB -0.105 68.757 68.868 -0.009 0.000 1.003 205 T HN 0.221 nan 8.240 nan 0.000 0.499 206 D N 3.976 124.397 120.400 0.035 0.000 2.358 206 D HA 0.154 4.772 4.640 -0.037 0.000 0.258 206 D C -1.147 175.197 176.300 0.073 0.000 1.223 206 D CA -2.433 51.597 54.000 0.050 0.000 0.886 206 D CB 1.329 42.161 40.800 0.054 0.000 1.120 206 D HN 0.021 nan 8.370 nan 0.000 0.482 207 P HA -0.203 nan 4.420 nan 0.000 0.224 207 P C 0.978 178.311 177.300 0.055 0.000 1.142 207 P CA 0.700 63.826 63.100 0.043 0.000 0.778 207 P CB 0.394 32.109 31.700 0.025 0.000 0.764 208 E N 0.160 120.405 120.200 0.075 0.000 2.046 208 E HA -0.148 4.180 4.350 -0.037 0.000 0.190 208 E C 1.893 178.558 176.600 0.109 0.000 0.982 208 E CA 0.849 57.305 56.400 0.094 0.000 0.800 208 E CB -0.537 29.242 29.700 0.131 0.000 0.756 208 E HN 0.106 nan 8.360 nan 0.000 0.449 209 L N 1.198 122.512 121.223 0.151 0.000 2.072 209 L HA -0.095 4.222 4.340 -0.037 0.000 0.205 209 L C 2.709 179.616 176.870 0.063 0.000 1.079 209 L CA 2.410 57.310 54.840 0.100 0.000 0.752 209 L CB -0.888 41.238 42.059 0.112 0.000 0.906 209 L HN 0.314 nan 8.230 nan 0.000 0.436 210 T N -3.160 111.435 114.554 0.068 0.000 2.985 210 T HA 0.321 4.649 4.350 -0.037 0.000 0.266 210 T C 1.205 175.927 174.700 0.037 0.000 1.076 210 T CA 0.589 62.718 62.100 0.049 0.000 1.135 210 T CB -0.692 68.208 68.868 0.052 0.000 0.890 210 T HN 0.688 nan 8.240 nan 0.000 0.480 211 G N 1.841 110.665 108.800 0.039 0.000 2.741 211 G HA2 -0.062 3.876 3.960 -0.037 0.000 0.222 211 G HA3 -0.062 3.876 3.960 -0.037 0.000 0.222 211 G C -2.866 172.049 174.900 0.025 0.000 1.364 211 G CA -0.662 44.456 45.100 0.030 0.000 0.866 211 G HN 0.557 nan 8.290 nan 0.000 0.555 212 P HA 0.427 nan 4.420 nan 0.000 0.276 212 P C 0.430 177.739 177.300 0.015 0.000 1.235 212 P CA -0.408 62.702 63.100 0.016 0.000 0.772 212 P CB 0.518 32.226 31.700 0.013 0.000 0.871 213 L N 3.800 125.032 121.223 0.015 0.000 2.456 213 L HA 0.154 4.471 4.340 -0.037 0.000 0.272 213 L C 1.280 178.156 176.870 0.010 0.000 1.189 213 L CA -0.183 54.665 54.840 0.013 0.000 0.846 213 L CB 0.105 42.172 42.059 0.014 0.000 1.111 213 L HN 0.365 nan 8.230 nan 0.000 0.475 214 R N 1.045 121.550 120.500 0.007 0.000 2.698 214 R HA 0.018 4.335 4.340 -0.037 0.000 0.266 214 R C 0.847 177.150 176.300 0.005 0.000 1.026 214 R CA 0.543 56.646 56.100 0.005 0.000 1.102 214 R CB 0.154 30.456 30.300 0.002 0.000 0.978 214 R HN 0.738 nan 8.270 nan 0.000 0.436 215 T N -4.040 110.516 114.554 0.004 0.000 3.040 215 T HA -0.025 4.302 4.350 -0.037 0.000 0.266 215 T C 1.448 176.149 174.700 0.003 0.000 1.005 215 T CA 0.139 62.241 62.100 0.004 0.000 0.906 215 T CB 0.302 69.173 68.868 0.005 0.000 1.082 215 T HN 0.674 nan 8.240 nan 0.000 0.531 216 T N 0.020 114.575 114.554 0.002 0.000 3.072 216 T HA 0.069 4.396 4.350 -0.037 0.000 0.266 216 T C 0.782 175.481 174.700 -0.000 0.000 1.127 216 T CA 0.185 62.285 62.100 0.000 0.000 1.107 216 T CB -0.471 68.397 68.868 -0.001 0.000 0.910 216 T HN 0.439 nan 8.240 nan 0.000 0.513 217 Q N 1.869 121.669 119.800 0.000 0.000 2.307 217 Q HA 0.261 4.579 4.340 -0.037 0.000 0.259 217 Q C -0.335 175.666 176.000 0.001 0.000 0.998 217 Q CA -0.160 55.643 55.803 -0.000 0.000 0.923 217 Q CB 0.742 29.479 28.738 -0.000 0.000 1.196 217 Q HN 0.253 nan 8.270 nan 0.000 0.416 218 K N 3.655 124.055 120.400 0.001 0.000 2.118 218 K HA 0.418 4.716 4.320 -0.037 0.000 0.267 218 K C -2.019 174.584 176.600 0.004 0.000 0.991 218 K CA -1.779 54.509 56.287 0.003 0.000 0.916 218 K CB 0.607 33.108 32.500 0.002 0.000 1.041 218 K HN 0.501 nan 8.250 nan 0.000 0.455 219 P HA 0.209 nan 4.420 nan 0.000 0.269 219 P C -0.428 176.878 177.300 0.009 0.000 1.209 219 P CA -0.012 63.093 63.100 0.008 0.000 0.776 219 P CB 0.593 32.298 31.700 0.009 0.000 0.876 220 I N 1.309 121.885 120.570 0.011 0.000 2.390 220 I HA 0.115 4.263 4.170 -0.037 0.000 0.283 220 I C 0.471 176.599 176.117 0.018 0.000 1.016 220 I CA -0.517 60.791 61.300 0.013 0.000 1.151 220 I CB 1.474 39.483 38.000 0.014 0.000 1.293 220 I HN 0.291 nan 8.210 nan 0.000 0.458 221 S N 7.802 123.513 115.700 0.019 0.000 2.430 221 S HA 0.577 5.025 4.470 -0.037 0.000 0.289 221 S C -0.443 174.174 174.600 0.029 0.000 1.143 221 S CA -0.439 57.775 58.200 0.022 0.000 1.067 221 S CB 0.214 63.426 63.200 0.020 0.000 0.964 221 S HN 0.445 nan 8.310 nan 0.000 0.485 222 I N 5.551 126.141 120.570 0.033 0.000 2.382 222 I HA 0.351 4.499 4.170 -0.037 0.000 0.285 222 I C 0.395 176.540 176.117 0.047 0.000 1.007 222 I CA -0.402 60.926 61.300 0.046 0.000 1.142 222 I CB 1.636 39.669 38.000 0.056 0.000 1.289 222 I HN 0.679 nan 8.210 nan 0.000 0.453 223 T N 1.930 116.513 114.554 0.048 0.000 2.831 223 T HA 0.544 4.871 4.350 -0.037 0.000 0.287 223 T C -0.656 174.076 174.700 0.053 0.000 1.070 223 T CA -0.818 61.310 62.100 0.046 0.000 1.010 223 T CB 2.327 71.216 68.868 0.035 0.000 1.264 223 T HN 0.510 nan 8.240 nan 0.000 0.532 224 Q N 1.093 120.920 119.800 0.046 0.000 3.412 224 Q HA 0.259 4.577 4.340 -0.037 0.000 0.219 224 Q C -2.098 173.918 176.000 0.028 0.000 0.913 224 Q CA -1.815 54.014 55.803 0.044 0.000 0.722 224 Q CB 2.018 30.787 28.738 0.052 0.000 1.385 224 Q HN 0.562 nan 8.270 nan 0.000 0.461 225 P HA -0.201 nan 4.420 nan 0.000 0.222 225 P C 0.288 177.596 177.300 0.013 0.000 1.142 225 P CA 1.310 64.421 63.100 0.018 0.000 0.788 225 P CB 0.509 32.221 31.700 0.019 0.000 0.767 226 E N -0.808 119.400 120.200 0.012 0.000 2.603 226 E HA 0.336 4.664 4.350 -0.037 0.000 0.211 226 E C 0.639 177.234 176.600 -0.007 0.000 0.995 226 E CA -0.042 56.361 56.400 0.005 0.000 0.990 226 E CB 0.500 30.205 29.700 0.009 0.000 1.036 226 E HN 0.177 nan 8.360 nan 0.000 0.475 227 G N 2.688 111.481 108.800 -0.011 0.000 2.795 227 G HA2 -0.202 3.736 3.960 -0.037 0.000 0.664 227 G HA3 -0.202 3.736 3.960 -0.037 0.000 0.664 227 G C -2.678 172.188 174.900 -0.057 0.000 1.381 227 G CA -0.774 44.301 45.100 -0.042 0.000 0.853 227 G HN 0.021 nan 8.290 nan 0.000 0.545 228 P HA 0.345 nan 4.420 nan 0.000 0.274 228 P C 0.603 177.831 177.300 -0.120 0.000 1.256 228 P CA 0.131 63.115 63.100 -0.192 0.000 0.795 228 P CB 1.088 32.378 31.700 -0.684 0.000 1.038 229 S N -0.596 115.161 115.700 0.094 0.000 2.548 229 S HA 0.131 4.579 4.470 -0.037 0.000 0.215 229 S C 0.635 175.415 174.600 0.301 0.000 0.976 229 S CA 0.047 58.363 58.200 0.193 0.000 0.908 229 S CB -0.698 62.671 63.200 0.282 0.000 0.781 229 S HN 0.565 nan 8.310 nan 0.000 0.519 230 F N 2.161 122.307 119.950 0.328 0.000 2.425 230 F HA 0.749 5.253 4.527 -0.037 0.000 0.331 230 F C 0.018 175.906 175.800 0.147 0.000 1.085 230 F CA -1.105 57.068 58.000 0.289 0.000 1.028 230 F CB 0.494 39.641 39.000 0.244 0.000 1.177 230 F HN -0.151 nan 8.300 nan 0.000 0.487 231 T N 0.411 115.151 114.554 0.310 0.000 2.856 231 T HA 0.737 5.065 4.350 -0.037 0.000 0.283 231 T C -1.005 173.856 174.700 0.267 0.000 1.008 231 T CA -0.831 61.383 62.100 0.190 0.000 0.997 231 T CB 1.516 70.464 68.868 0.134 0.000 0.992 231 T HN 0.664 nan 8.240 nan 0.000 0.454 232 V N 3.214 123.255 119.914 0.212 0.000 2.378 232 V HA 0.692 4.789 4.120 -0.037 0.000 0.288 232 V C 0.371 176.560 176.094 0.158 0.000 1.016 232 V CA -0.712 61.707 62.300 0.199 0.000 0.840 232 V CB 1.150 33.090 31.823 0.195 0.000 0.994 232 V HN 1.261 nan 8.190 nan 0.000 0.431 233 T N 0.193 114.857 114.554 0.184 0.000 2.893 233 T HA 0.675 5.003 4.350 -0.037 0.000 0.291 233 T C 0.686 175.467 174.700 0.136 0.000 1.028 233 T CA -0.017 62.167 62.100 0.139 0.000 0.995 233 T CB 1.719 70.659 68.868 0.121 0.000 1.051 233 T HN 1.819 nan 8.240 nan 0.000 0.470 234 G N 0.514 109.367 108.800 0.088 0.000 2.221 234 G HA2 0.146 4.084 3.960 -0.037 0.000 0.265 234 G HA3 0.146 4.084 3.960 -0.037 0.000 0.265 234 G C 1.305 176.258 174.900 0.088 0.000 1.041 234 G CA 0.760 45.907 45.100 0.077 0.000 0.807 234 G HN 2.414 nan 8.290 nan 0.000 0.502 235 G N -0.073 108.778 108.800 0.086 0.000 2.480 235 G HA2 -0.300 3.637 3.960 -0.037 0.000 0.246 235 G HA3 -0.300 3.637 3.960 -0.037 0.000 0.246 235 G C 0.915 175.866 174.900 0.085 0.000 1.073 235 G CA 1.456 46.603 45.100 0.078 0.000 0.643 235 G HN 2.278 nan 8.290 nan 0.000 0.525 236 N N -0.735 118.029 118.700 0.106 0.000 2.193 236 N HA 0.093 4.811 4.740 -0.037 0.000 0.236 236 N C -0.400 175.173 175.510 0.105 0.000 1.347 236 N CA 0.062 53.166 53.050 0.091 0.000 0.812 236 N CB -0.352 38.184 38.487 0.082 0.000 1.297 236 N HN 0.562 nan 8.380 nan 0.000 0.499 237 H N 1.432 120.536 119.070 0.056 0.000 2.517 237 H HA 0.392 4.926 4.556 -0.037 0.000 0.317 237 H C -0.821 174.548 175.328 0.068 0.000 1.080 237 H CA -0.254 55.825 56.048 0.052 0.000 1.301 237 H CB 1.191 30.987 29.762 0.057 0.000 1.425 237 H HN -0.015 nan 8.280 nan 0.000 0.471 238 I N 4.347 124.669 120.570 -0.414 0.000 2.474 238 I HA 0.214 4.362 4.170 -0.037 0.000 0.294 238 I C -0.039 175.981 176.117 -0.162 0.000 1.005 238 I CA -0.668 60.531 61.300 -0.170 0.000 1.113 238 I CB 1.813 39.712 38.000 -0.168 0.000 1.289 238 I HN 0.550 nan 8.210 nan 0.000 0.436 239 E N 5.491 125.756 120.200 0.107 0.000 2.235 239 E HA 0.264 4.592 4.350 -0.037 0.000 0.252 239 E C -1.715 175.077 176.600 0.320 0.000 0.886 239 E CA -0.352 56.156 56.400 0.180 0.000 0.767 239 E CB 2.585 32.402 29.700 0.194 0.000 1.205 239 E HN 0.622 nan 8.360 nan 0.000 0.421 240 W N 3.872 125.237 121.300 0.108 0.000 3.132 240 W HA 0.165 4.803 4.660 -0.036 0.000 0.337 240 W C -0.277 176.346 176.519 0.173 0.000 1.082 240 W CA -0.458 56.978 57.345 0.152 0.000 1.242 240 W CB 0.947 30.485 29.460 0.129 0.000 1.354 240 W HN 0.282 nan 8.180 nan 0.000 0.461 241 E N 5.781 125.669 120.200 -0.520 0.000 2.199 241 E HA -0.321 4.007 4.350 -0.037 0.000 0.208 241 E C 0.474 176.799 176.600 -0.458 0.000 1.310 241 E CA 1.833 57.855 56.400 -0.631 0.000 0.709 241 E CB -1.051 27.922 29.700 -1.212 0.000 1.127 241 E HN 0.904 nan 8.360 nan 0.000 0.354 242 K N -3.687 116.478 120.400 -0.391 0.000 3.548 242 K HA -0.241 4.057 4.320 -0.037 0.000 0.296 242 K C 0.043 176.202 176.600 -0.736 0.000 1.324 242 K CA 1.651 57.543 56.287 -0.658 0.000 0.976 242 K CB -1.388 30.469 32.500 -1.071 0.000 1.294 242 K HN 0.288 nan 8.250 nan 0.000 0.464 243 W N 1.225 122.309 121.300 -0.360 0.000 2.313 243 W HA 0.483 5.121 4.660 -0.036 0.000 0.328 243 W C 0.514 176.997 176.519 -0.060 0.000 1.197 243 W CA -0.329 56.934 57.345 -0.136 0.000 1.235 243 W CB 1.704 31.235 29.460 0.119 0.000 1.158 243 W HN -0.102 nan 8.180 nan 0.000 0.578 244 S N 3.458 119.308 115.700 0.250 0.000 2.575 244 S HA 0.804 5.252 4.470 -0.037 0.000 0.278 244 S C -1.078 173.525 174.600 0.005 0.000 1.139 244 S CA -0.695 57.552 58.200 0.079 0.000 0.954 244 S CB 0.206 63.478 63.200 0.120 0.000 1.054 244 S HN 0.491 nan 8.310 nan 0.000 0.483 245 L N 1.119 122.216 121.223 -0.210 0.000 3.079 245 L HA 0.758 5.076 4.340 -0.037 0.000 0.278 245 L C -2.139 174.563 176.870 -0.280 0.000 1.026 245 L CA -1.032 53.686 54.840 -0.203 0.000 0.963 245 L CB 1.697 43.644 42.059 -0.185 0.000 1.526 245 L HN 0.362 nan 8.230 nan 0.000 0.397 246 D N 1.389 121.699 120.400 -0.149 0.000 2.502 246 D HA 0.462 5.080 4.640 -0.037 0.000 0.249 246 D C -0.826 175.457 176.300 -0.027 0.000 1.092 246 D CA -0.261 53.717 54.000 -0.037 0.000 0.839 246 D CB 3.186 44.021 40.800 0.058 0.000 1.264 246 D HN 0.388 nan 8.370 nan 0.000 0.511 247 V N 2.293 122.192 119.914 -0.027 0.000 2.339 247 V HA 0.439 4.537 4.120 -0.037 0.000 0.261 247 V C 1.044 177.179 176.094 0.067 0.000 1.058 247 V CA -0.377 61.897 62.300 -0.043 0.000 0.897 247 V CB 0.892 32.674 31.823 -0.069 0.000 1.052 247 V HN 0.583 nan 8.190 nan 0.000 0.480 248 G N 3.051 111.918 108.800 0.112 0.000 2.531 248 G HA2 0.695 4.633 3.960 -0.037 0.000 0.313 248 G HA3 0.695 4.633 3.960 -0.037 0.000 0.313 248 G C -1.431 173.570 174.900 0.169 0.000 1.238 248 G CA -0.461 44.762 45.100 0.204 0.000 0.994 248 G HN 0.496 nan 8.290 nan 0.000 0.493 249 F N -0.252 119.683 119.950 -0.024 0.000 2.605 249 F HA 0.443 4.947 4.527 -0.037 0.000 0.320 249 F C -1.490 174.270 175.800 -0.065 0.000 1.159 249 F CA -0.884 57.056 58.000 -0.101 0.000 0.999 249 F CB 2.368 41.294 39.000 -0.124 0.000 1.258 249 F HN 0.546 nan 8.300 nan 0.000 0.464 250 D N 3.455 123.553 120.400 -0.503 0.000 2.481 250 D HA 0.406 5.024 4.640 -0.037 0.000 0.244 250 D C 0.714 176.745 176.300 -0.448 0.000 1.057 250 D CA -0.653 53.182 54.000 -0.275 0.000 0.848 250 D CB 2.126 42.860 40.800 -0.111 0.000 1.388 250 D HN 0.391 nan 8.370 nan 0.000 0.475 251 V N 2.102 121.916 119.914 -0.166 0.000 3.026 251 V HA -0.051 4.047 4.120 -0.037 0.000 0.265 251 V C 1.780 177.853 176.094 -0.035 0.000 1.121 251 V CA 1.377 63.616 62.300 -0.101 0.000 1.142 251 V CB -0.616 31.189 31.823 -0.030 0.000 0.730 251 V HN 0.607 nan 8.190 nan 0.000 0.503 252 R N 0.163 120.679 120.500 0.028 0.000 2.087 252 R HA 0.107 4.425 4.340 -0.037 0.000 0.213 252 R C 2.303 178.574 176.300 -0.047 0.000 1.137 252 R CA 1.025 57.143 56.100 0.029 0.000 1.022 252 R CB -0.017 30.279 30.300 -0.006 0.000 0.920 252 R HN 0.575 nan 8.270 nan 0.000 0.451 253 E N -0.379 119.766 120.200 -0.092 0.000 2.318 253 E HA 0.128 4.456 4.350 -0.037 0.000 0.193 253 E C 0.659 177.091 176.600 -0.281 0.000 0.998 253 E CA 0.409 56.744 56.400 -0.107 0.000 0.859 253 E CB 0.583 30.260 29.700 -0.039 0.000 0.812 253 E HN 0.541 nan 8.360 nan 0.000 0.492 254 G N 0.835 109.262 108.800 -0.621 0.000 2.488 254 G HA2 -0.294 3.644 3.960 -0.037 0.000 0.237 254 G HA3 -0.294 3.644 3.960 -0.037 0.000 0.237 254 G C -0.092 174.166 174.900 -1.071 0.000 1.209 254 G CA -0.349 44.045 45.100 -1.178 0.000 0.929 254 G HN 0.102 nan 8.290 nan 0.000 0.578 255 V N 0.637 120.098 119.914 -0.755 0.000 2.599 255 V HA 0.416 4.514 4.120 -0.037 0.000 0.300 255 V C 0.803 176.812 176.094 -0.142 0.000 1.034 255 V CA 0.354 62.541 62.300 -0.188 0.000 1.115 255 V CB 0.939 32.827 31.823 0.108 0.000 0.934 255 V HN 0.943 nan 8.190 nan 0.000 0.485 256 V N 6.420 126.208 119.914 -0.211 0.000 2.789 256 V HA 0.507 4.605 4.120 -0.037 0.000 0.311 256 V C -0.346 175.433 176.094 -0.525 0.000 1.073 256 V CA -0.689 61.401 62.300 -0.350 0.000 0.921 256 V CB 2.036 33.674 31.823 -0.307 0.000 1.009 256 V HN 0.613 nan 8.190 nan 0.000 0.426 257 L N 4.488 125.280 121.223 -0.719 0.000 2.307 257 L HA 0.662 4.980 4.340 -0.037 0.000 0.284 257 L C -0.605 175.827 176.870 -0.729 0.000 1.023 257 L CA -0.603 53.820 54.840 -0.695 0.000 0.810 257 L CB 1.347 42.934 42.059 -0.787 0.000 1.231 257 L HN 0.618 nan 8.230 nan 0.000 0.423 258 H N 3.300 122.187 119.070 -0.304 0.000 2.622 258 H HA 0.294 4.828 4.556 -0.037 0.000 0.363 258 H C -0.326 174.779 175.328 -0.371 0.000 1.151 258 H CA -0.794 55.040 56.048 -0.356 0.000 1.184 258 H CB 1.899 31.375 29.762 -0.478 0.000 1.643 258 H HN 0.559 nan 8.280 nan 0.000 0.531 259 N N 1.499 120.053 118.700 -0.242 0.000 2.667 259 N HA -0.202 4.516 4.740 -0.037 0.000 0.263 259 N C -0.401 175.040 175.510 -0.116 0.000 1.038 259 N CA 0.510 53.438 53.050 -0.204 0.000 0.749 259 N CB -1.229 37.094 38.487 -0.273 0.000 0.892 259 N HN 0.535 nan 8.380 nan 0.000 0.546 260 I N 0.550 121.055 120.570 -0.107 0.000 2.363 260 I HA 0.310 4.458 4.170 -0.037 0.000 0.292 260 I C 0.926 177.086 176.117 0.073 0.000 1.075 260 I CA -0.016 61.276 61.300 -0.013 0.000 1.333 260 I CB 0.604 38.574 38.000 -0.050 0.000 1.415 260 I HN 0.357 nan 8.210 nan 0.000 0.502 261 A N 6.878 129.795 122.820 0.162 0.000 2.498 261 A HA 0.765 5.063 4.320 -0.037 0.000 0.298 261 A C -1.486 176.235 177.584 0.229 0.000 1.075 261 A CA -0.435 51.700 52.037 0.163 0.000 0.714 261 A CB 1.516 20.571 19.000 0.092 0.000 1.299 261 A HN 0.512 nan 8.150 nan 0.000 0.407 262 F N 0.672 120.640 119.950 0.030 0.000 2.493 262 F HA 0.633 5.137 4.527 -0.037 0.000 0.329 262 F C 0.472 176.285 175.800 0.021 0.000 1.126 262 F CA -0.727 57.230 58.000 -0.071 0.000 0.937 262 F CB 1.828 40.724 39.000 -0.173 0.000 1.146 262 F HN 0.580 nan 8.300 nan 0.000 0.442 263 R N 3.895 124.314 120.500 -0.134 0.000 2.878 263 R HA 0.097 4.414 4.340 -0.037 0.000 0.239 263 R C -0.882 175.548 176.300 0.217 0.000 1.515 263 R CA 0.017 56.129 56.100 0.019 0.000 1.210 263 R CB -0.774 29.468 30.300 -0.097 0.000 1.209 263 R HN 0.445 nan 8.270 nan 0.000 0.610 264 D N 3.421 124.026 120.400 0.341 0.000 2.470 264 D HA 0.236 4.854 4.640 -0.037 0.000 0.226 264 D C 0.981 177.375 176.300 0.157 0.000 1.196 264 D CA 1.183 55.379 54.000 0.327 0.000 0.979 264 D CB 0.273 41.230 40.800 0.263 0.000 1.059 264 D HN 0.659 nan 8.370 nan 0.000 0.515 265 G N 4.542 113.419 108.800 0.127 0.000 2.595 265 G HA2 -0.287 3.651 3.960 -0.037 0.000 0.297 265 G HA3 -0.287 3.651 3.960 -0.037 0.000 0.297 265 G C 0.172 175.101 174.900 0.048 0.000 1.181 265 G CA 0.208 45.350 45.100 0.070 0.000 0.963 265 G HN 0.524 nan 8.290 nan 0.000 0.541 266 D N 1.866 122.287 120.400 0.036 0.000 3.058 266 D HA 0.438 5.056 4.640 -0.037 0.000 0.272 266 D C 0.704 177.019 176.300 0.026 0.000 1.350 266 D CA 0.151 54.166 54.000 0.026 0.000 0.863 266 D CB 0.366 41.176 40.800 0.017 0.000 1.064 266 D HN 0.535 nan 8.370 nan 0.000 0.488 267 R N 0.852 121.376 120.500 0.039 0.000 2.535 267 R HA 0.291 4.609 4.340 -0.037 0.000 0.274 267 R C -1.799 174.536 176.300 0.058 0.000 1.090 267 R CA -0.797 55.324 56.100 0.035 0.000 0.930 267 R CB 1.417 31.727 30.300 0.017 0.000 1.223 267 R HN -0.031 nan 8.270 nan 0.000 0.441 268 L N 5.084 126.337 121.223 0.049 0.000 2.270 268 L HA 0.443 4.761 4.340 -0.037 0.000 0.286 268 L C -0.490 176.422 176.870 0.069 0.000 1.059 268 L CA -0.059 54.821 54.840 0.066 0.000 0.839 268 L CB 0.585 42.676 42.059 0.054 0.000 1.221 268 L HN 0.468 nan 8.230 nan 0.000 0.431 269 R N 6.930 127.500 120.500 0.116 0.000 2.221 269 R HA 0.405 4.723 4.340 -0.037 0.000 0.327 269 R C -2.394 173.984 176.300 0.130 0.000 1.033 269 R CA -1.712 54.458 56.100 0.117 0.000 0.887 269 R CB 0.751 31.146 30.300 0.159 0.000 1.057 269 R HN 0.461 nan 8.270 nan 0.000 0.455 270 P HA 0.166 nan 4.420 nan 0.000 0.278 270 P C 0.045 177.318 177.300 -0.045 0.000 1.238 270 P CA -0.096 62.986 63.100 -0.029 0.000 0.794 270 P CB 1.269 32.885 31.700 -0.141 0.000 0.955 271 I N 1.030 121.524 120.570 -0.126 0.000 3.746 271 I HA 0.247 4.395 4.170 -0.037 0.000 0.262 271 I C 0.726 176.685 176.117 -0.263 0.000 1.153 271 I CA 0.214 61.345 61.300 -0.283 0.000 1.395 271 I CB 0.362 38.110 38.000 -0.419 0.000 1.589 271 I HN 0.142 nan 8.210 nan 0.000 0.441 272 I N 1.172 121.623 120.570 -0.198 0.000 2.533 272 I HA 0.182 4.330 4.170 -0.037 0.000 0.290 272 I C 0.558 176.574 176.117 -0.168 0.000 1.056 272 I CA -0.307 60.884 61.300 -0.182 0.000 1.057 272 I CB 2.249 40.149 38.000 -0.167 0.000 1.240 272 I HN 0.125 nan 8.210 nan 0.000 0.423 273 N N 5.023 123.635 118.700 -0.146 0.000 2.148 273 N HA 0.041 4.758 4.740 -0.037 0.000 0.186 273 N C 0.548 175.997 175.510 -0.103 0.000 1.031 273 N CA 0.901 53.897 53.050 -0.090 0.000 0.848 273 N CB 0.618 39.130 38.487 0.041 0.000 1.005 273 N HN 0.549 nan 8.380 nan 0.000 0.427 274 R N 0.048 120.471 120.500 -0.128 0.000 2.548 274 R HA 0.517 4.835 4.340 -0.037 0.000 0.280 274 R C -2.118 174.031 176.300 -0.252 0.000 1.061 274 R CA -0.501 55.480 56.100 -0.197 0.000 0.915 274 R CB 1.958 32.210 30.300 -0.079 0.000 1.210 274 R HN 0.108 nan 8.270 nan 0.000 0.442 275 A N 2.179 124.778 122.820 -0.367 0.000 2.398 275 A HA 0.715 5.013 4.320 -0.037 0.000 0.301 275 A C -1.169 176.211 177.584 -0.341 0.000 1.041 275 A CA -0.434 51.404 52.037 -0.332 0.000 0.711 275 A CB 1.687 20.434 19.000 -0.422 0.000 1.240 275 A HN 0.841 nan 8.150 nan 0.000 0.420 276 S N 1.187 116.837 115.700 -0.084 0.000 2.587 276 S HA 0.657 5.104 4.470 -0.037 0.000 0.269 276 S C -1.184 173.513 174.600 0.161 0.000 1.154 276 S CA -0.728 57.503 58.200 0.051 0.000 0.824 276 S CB 0.848 64.010 63.200 -0.063 0.000 1.118 276 S HN 0.609 nan 8.310 nan 0.000 0.462 277 I N 2.200 122.882 120.570 0.188 0.000 2.287 277 I HA 0.390 4.537 4.170 -0.037 0.000 0.290 277 I C 1.308 177.506 176.117 0.135 0.000 1.069 277 I CA -0.444 60.953 61.300 0.161 0.000 1.237 277 I CB 0.292 38.450 38.000 0.265 0.000 1.418 277 I HN 0.992 nan 8.210 nan 0.000 0.481 278 A N 5.116 128.002 122.820 0.111 0.000 2.208 278 A HA 0.139 4.437 4.320 -0.037 0.000 0.209 278 A C 0.721 178.368 177.584 0.105 0.000 1.161 278 A CA 0.783 52.909 52.037 0.149 0.000 0.782 278 A CB 0.077 19.184 19.000 0.178 0.000 0.816 278 A HN 0.660 nan 8.150 nan 0.000 0.477 279 E N -2.046 118.157 120.200 0.006 0.000 2.409 279 E HA 0.589 4.917 4.350 -0.037 0.000 0.280 279 E C -1.245 175.336 176.600 -0.031 0.000 1.079 279 E CA -0.357 55.997 56.400 -0.076 0.000 0.840 279 E CB 0.861 30.337 29.700 -0.373 0.000 1.309 279 E HN 0.255 nan 8.360 nan 0.000 0.447 280 M N 2.792 122.395 119.600 0.005 0.000 2.296 280 M HA 0.489 4.947 4.480 -0.037 0.000 0.268 280 M C -2.001 174.195 176.300 -0.173 0.000 1.048 280 M CA -0.531 54.672 55.300 -0.162 0.000 0.966 280 M CB 1.347 33.824 32.600 -0.205 0.000 1.912 280 M HN 0.286 nan 8.290 nan 0.000 0.484 281 V N 4.485 124.231 119.914 -0.281 0.000 2.680 281 V HA 0.645 4.743 4.120 -0.037 0.000 0.309 281 V C -0.594 175.242 176.094 -0.430 0.000 1.052 281 V CA -0.727 61.310 62.300 -0.438 0.000 0.908 281 V CB 1.986 33.480 31.823 -0.548 0.000 1.001 281 V HN 0.654 nan 8.190 nan 0.000 0.431 282 V N 5.330 125.038 119.914 -0.345 0.000 2.266 282 V HA 0.318 4.416 4.120 -0.037 0.000 0.266 282 V C -2.516 173.428 176.094 -0.250 0.000 1.036 282 V CA -1.563 60.532 62.300 -0.342 0.000 0.828 282 V CB 1.043 32.685 31.823 -0.301 0.000 1.081 282 V HN 0.740 nan 8.190 nan 0.000 0.449 283 P HA 0.312 nan 4.420 nan 0.000 0.275 283 P C -1.051 176.080 177.300 -0.281 0.000 1.228 283 P CA -0.119 62.874 63.100 -0.179 0.000 0.786 283 P CB 0.563 32.161 31.700 -0.169 0.000 0.927 284 Y N -0.004 120.266 120.300 -0.050 0.000 2.387 284 Y HA 0.487 5.016 4.550 -0.034 0.000 0.336 284 Y C 1.746 177.645 175.900 -0.002 0.000 1.067 284 Y CA 0.123 58.207 58.100 -0.027 0.000 1.114 284 Y CB 1.412 39.795 38.460 -0.129 0.000 1.208 284 Y HN 0.475 nan 8.280 nan 0.000 0.458 285 G N 1.001 109.889 108.800 0.147 0.000 3.189 285 G HA2 -0.062 3.876 3.960 -0.037 0.000 0.225 285 G HA3 -0.062 3.876 3.960 -0.037 0.000 0.225 285 G C -0.282 174.682 174.900 0.107 0.000 1.159 285 G CA -0.119 45.061 45.100 0.134 0.000 0.763 285 G HN 0.505 nan 8.290 nan 0.000 0.549 286 D N 1.338 121.792 120.400 0.090 0.000 2.325 286 D HA 0.169 4.787 4.640 -0.037 0.000 0.251 286 D C -1.037 175.262 176.300 -0.001 0.000 1.196 286 D CA -2.061 51.950 54.000 0.017 0.000 0.866 286 D CB 2.178 42.979 40.800 0.002 0.000 1.101 286 D HN 0.068 nan 8.370 nan 0.000 0.476 287 P HA -0.048 nan 4.420 nan 0.000 0.237 287 P C 0.458 177.761 177.300 0.004 0.000 1.178 287 P CA 0.023 63.130 63.100 0.010 0.000 0.766 287 P CB 0.254 31.966 31.700 0.021 0.000 0.876 288 S N 2.441 118.135 115.700 -0.010 0.000 2.537 288 S HA 0.099 4.547 4.470 -0.037 0.000 0.286 288 S C -0.951 173.661 174.600 0.020 0.000 1.299 288 S CA -1.118 57.083 58.200 0.002 0.000 1.067 288 S CB 0.169 63.353 63.200 -0.026 0.000 0.864 288 S HN 0.017 nan 8.310 nan 0.000 0.494 289 P HA -0.099 nan 4.420 nan 0.000 0.226 289 P C 1.148 178.576 177.300 0.214 0.000 1.146 289 P CA 0.736 63.912 63.100 0.127 0.000 0.773 289 P CB -0.054 31.724 31.700 0.130 0.000 0.772 290 I N -0.627 120.032 120.570 0.149 0.000 3.059 290 I HA -0.002 4.146 4.170 -0.037 0.000 0.270 290 I C 1.926 178.145 176.117 0.169 0.000 1.238 290 I CA 0.909 62.340 61.300 0.217 0.000 1.478 290 I CB -0.790 37.264 38.000 0.090 0.000 1.097 290 I HN 0.043 nan 8.210 nan 0.000 0.455 291 R N -0.620 119.800 120.500 -0.133 0.000 2.526 291 R HA 0.087 4.405 4.340 -0.037 0.000 0.346 291 R C 1.822 177.732 176.300 -0.649 0.000 0.926 291 R CA 0.476 56.221 56.100 -0.592 0.000 1.147 291 R CB 0.215 30.297 30.300 -0.363 0.000 1.629 291 R HN 0.216 nan 8.270 nan 0.000 0.516 292 S N 0.937 116.445 115.700 -0.319 0.000 2.537 292 S HA -0.117 4.331 4.470 -0.037 0.000 0.240 292 S C 1.319 175.765 174.600 -0.257 0.000 0.981 292 S CA 0.516 58.598 58.200 -0.196 0.000 0.948 292 S CB -0.426 62.731 63.200 -0.071 0.000 0.759 292 S HN 0.626 nan 8.310 nan 0.000 0.531 293 W N 0.417 121.550 121.300 -0.279 0.000 3.177 293 W HA 0.400 5.035 4.660 -0.041 0.000 0.309 293 W C 0.409 176.941 176.519 0.021 0.000 1.224 293 W CA -0.680 56.393 57.345 -0.454 0.000 1.718 293 W CB -0.537 28.520 29.460 -0.670 0.000 1.078 293 W HN 0.258 nan 8.180 nan 0.000 0.618 294 Q N 2.913 122.276 119.800 -0.729 0.000 2.286 294 Q HA 0.087 4.405 4.340 -0.037 0.000 0.265 294 Q C -0.788 175.206 176.000 -0.010 0.000 1.080 294 Q CA 0.694 56.117 55.803 -0.632 0.000 0.906 294 Q CB 0.099 28.202 28.738 -1.058 0.000 1.227 294 Q HN 0.018 nan 8.270 nan 0.000 0.409 295 N N 4.640 123.412 118.700 0.120 0.000 2.629 295 N HA 0.111 4.829 4.740 -0.037 0.000 0.277 295 N C -1.839 173.789 175.510 0.198 0.000 1.188 295 N CA -0.386 52.768 53.050 0.173 0.000 0.835 295 N CB 0.931 39.528 38.487 0.183 0.000 1.420 295 N HN 0.413 nan 8.380 nan 0.000 0.542 296 Y N 0.884 121.222 120.300 0.062 0.000 2.335 296 Y HA 0.312 4.839 4.550 -0.039 0.000 0.331 296 Y C 0.409 176.309 175.900 0.000 0.000 1.094 296 Y CA -0.283 57.912 58.100 0.158 0.000 1.253 296 Y CB 0.409 38.908 38.460 0.064 0.000 1.203 296 Y HN 0.343 nan 8.280 nan 0.000 0.508 297 F N 2.770 122.946 119.950 0.376 0.000 2.387 297 F HA 0.228 4.732 4.527 -0.037 0.000 0.332 297 F C 0.780 176.763 175.800 0.306 0.000 1.174 297 F CA -0.852 57.293 58.000 0.242 0.000 1.257 297 F CB 0.126 39.230 39.000 0.174 0.000 1.569 297 F HN 0.539 nan 8.300 nan 0.000 0.554 298 D N -0.153 120.447 120.400 0.333 0.000 2.170 298 D HA -0.219 4.399 4.640 -0.037 0.000 0.193 298 D C 2.006 178.498 176.300 0.320 0.000 1.004 298 D CA 2.145 56.318 54.000 0.289 0.000 0.860 298 D CB 0.042 40.887 40.800 0.075 0.000 0.931 298 D HN 0.354 nan 8.370 nan 0.000 0.448 299 T N -1.113 113.579 114.554 0.231 0.000 2.901 299 T HA 0.057 4.385 4.350 -0.037 0.000 0.252 299 T C 2.042 176.809 174.700 0.111 0.000 1.035 299 T CA 1.006 63.200 62.100 0.157 0.000 1.142 299 T CB -0.620 68.304 68.868 0.094 0.000 0.869 299 T HN 0.266 nan 8.240 nan 0.000 0.442 300 G N 1.525 110.400 108.800 0.124 0.000 2.433 300 G HA2 -0.163 3.775 3.960 -0.037 0.000 0.216 300 G HA3 -0.163 3.775 3.960 -0.037 0.000 0.216 300 G C 1.440 176.363 174.900 0.038 0.000 1.186 300 G CA 0.697 45.793 45.100 -0.006 0.000 0.779 300 G HN 0.512 nan 8.290 nan 0.000 0.543 301 E N -0.963 119.348 120.200 0.185 0.000 2.140 301 E HA 0.071 4.399 4.350 -0.037 0.000 0.191 301 E C 1.968 178.624 176.600 0.094 0.000 0.973 301 E CA 0.496 56.953 56.400 0.094 0.000 0.829 301 E CB 0.004 29.748 29.700 0.073 0.000 0.781 301 E HN 0.580 nan 8.360 nan 0.000 0.466 302 Y N 0.116 120.592 120.300 0.293 0.000 2.497 302 Y HA 0.274 4.801 4.550 -0.038 0.000 0.265 302 Y C -0.001 176.162 175.900 0.438 0.000 1.111 302 Y CA -0.049 58.303 58.100 0.420 0.000 1.288 302 Y CB 0.453 39.179 38.460 0.445 0.000 1.082 302 Y HN -0.157 nan 8.280 nan 0.000 0.536 303 L N -0.042 121.438 121.223 0.428 0.000 2.827 303 L HA -0.254 4.064 4.340 -0.037 0.000 0.637 303 L C 0.805 177.882 176.870 0.346 0.000 1.007 303 L CA -0.544 54.469 54.840 0.288 0.000 1.336 303 L CB -1.485 40.706 42.059 0.219 0.000 1.826 303 L HN -0.013 nan 8.230 nan 0.000 0.871 304 V N 2.602 122.675 119.914 0.265 0.000 2.252 304 V HA -0.270 3.828 4.120 -0.037 0.000 0.249 304 V C 2.321 178.575 176.094 0.267 0.000 1.056 304 V CA 2.912 65.380 62.300 0.280 0.000 1.022 304 V CB -0.374 31.535 31.823 0.144 0.000 0.641 304 V HN 0.986 nan 8.190 nan 0.000 0.445 305 G N -1.779 107.044 108.800 0.039 0.000 2.498 305 G HA2 -0.319 3.619 3.960 -0.037 0.000 0.219 305 G HA3 -0.319 3.619 3.960 -0.037 0.000 0.219 305 G C 1.466 176.476 174.900 0.183 0.000 1.119 305 G CA 0.906 45.987 45.100 -0.031 0.000 0.766 305 G HN 0.596 nan 8.290 nan 0.000 0.552 306 Q N -0.783 119.067 119.800 0.084 0.000 2.123 306 Q HA -0.042 4.276 4.340 -0.037 0.000 0.199 306 Q C 1.105 177.004 176.000 -0.168 0.000 0.966 306 Q CA 0.809 56.553 55.803 -0.099 0.000 0.845 306 Q CB -0.100 28.455 28.738 -0.304 0.000 0.907 306 Q HN 0.588 nan 8.270 nan 0.000 0.439 307 Y N 0.134 120.604 120.300 0.284 0.000 2.583 307 Y HA 0.417 4.945 4.550 -0.036 0.000 0.294 307 Y C 0.287 176.376 175.900 0.315 0.000 1.170 307 Y CA -0.288 57.984 58.100 0.287 0.000 1.265 307 Y CB -0.132 38.505 38.460 0.295 0.000 1.119 307 Y HN 0.091 nan 8.280 nan 0.000 0.522 308 A N 0.860 123.940 122.820 0.433 0.000 2.511 308 A HA 0.174 4.472 4.320 -0.037 0.000 0.242 308 A C 0.207 178.003 177.584 0.353 0.000 1.069 308 A CA -0.437 51.889 52.037 0.481 0.000 0.763 308 A CB 0.021 19.334 19.000 0.522 0.000 1.001 308 A HN 0.346 nan 8.150 nan 0.000 0.498 309 N N 0.751 119.664 118.700 0.355 0.000 2.463 309 N HA 0.348 5.066 4.740 -0.037 0.000 0.270 309 N C -0.448 175.181 175.510 0.197 0.000 1.205 309 N CA -0.226 52.972 53.050 0.247 0.000 0.974 309 N CB 0.847 39.465 38.487 0.218 0.000 1.197 309 N HN 0.484 nan 8.380 nan 0.000 0.504 310 S N 0.618 116.392 115.700 0.124 0.000 2.452 310 S HA 0.383 4.830 4.470 -0.037 0.000 0.284 310 S C 0.201 174.846 174.600 0.074 0.000 1.171 310 S CA -0.688 57.554 58.200 0.069 0.000 1.064 310 S CB 0.099 63.310 63.200 0.018 0.000 0.967 310 S HN 0.230 nan 8.310 nan 0.000 0.484 311 L N 3.415 124.703 121.223 0.109 0.000 2.371 311 L HA 0.401 4.719 4.340 -0.037 0.000 0.272 311 L C 0.625 177.559 176.870 0.106 0.000 1.124 311 L CA -0.313 54.625 54.840 0.162 0.000 0.816 311 L CB 0.501 42.749 42.059 0.315 0.000 1.129 311 L HN 0.543 nan 8.230 nan 0.000 0.448 312 E N 1.905 122.167 120.200 0.104 0.000 2.214 312 E HA 0.326 4.653 4.350 -0.037 0.000 0.274 312 E C -1.003 175.684 176.600 0.146 0.000 0.977 312 E CA -1.077 55.371 56.400 0.081 0.000 0.827 312 E CB 2.489 32.213 29.700 0.039 0.000 1.130 312 E HN 0.251 nan 8.360 nan 0.000 0.394 313 L N 2.177 123.492 121.223 0.152 0.000 2.369 313 L HA 0.264 4.582 4.340 -0.037 0.000 0.279 313 L C 0.960 177.876 176.870 0.077 0.000 1.108 313 L CA 1.420 56.352 54.840 0.154 0.000 0.852 313 L CB -0.036 42.125 42.059 0.169 0.000 1.169 313 L HN 0.852 nan 8.230 nan 0.000 0.452 314 G N 2.216 111.048 108.800 0.053 0.000 2.279 314 G HA2 -0.300 3.638 3.960 -0.037 0.000 0.223 314 G HA3 -0.300 3.638 3.960 -0.037 0.000 0.223 314 G C 0.898 175.812 174.900 0.024 0.000 1.015 314 G CA 0.204 45.322 45.100 0.031 0.000 0.621 314 G HN 0.691 nan 8.290 nan 0.000 0.506 315 C N 0.272 119.591 119.300 0.030 0.000 2.664 315 C HA 0.296 4.734 4.460 -0.037 0.000 0.285 315 C C 2.270 177.269 174.990 0.016 0.000 1.386 315 C CA 1.518 60.545 59.018 0.016 0.000 1.753 315 C CB -0.522 27.224 27.740 0.010 0.000 2.115 315 C HN 0.554 nan 8.230 nan 0.000 0.577 316 D N -0.378 120.045 120.400 0.037 0.000 2.216 316 D HA 0.059 4.677 4.640 -0.037 0.000 0.208 316 D C 0.169 176.521 176.300 0.087 0.000 0.960 316 D CA 1.003 55.038 54.000 0.058 0.000 0.861 316 D CB 0.170 41.017 40.800 0.078 0.000 0.985 316 D HN 0.405 nan 8.370 nan 0.000 0.493 317 c N 1.507 120.140 118.600 0.054 0.000 2.446 317 c HA 0.547 5.095 4.570 -0.037 0.000 0.329 317 c C -0.536 173.500 174.090 -0.090 0.000 1.166 317 c CA -1.089 55.211 56.329 -0.048 0.000 1.341 317 c CB 1.143 43.603 42.510 -0.085 0.000 1.970 317 c HN 0.175 nan 8.230 nan 0.000 0.452 318 L N 4.081 125.219 121.223 -0.142 0.000 2.322 318 L HA 0.996 5.314 4.340 -0.037 0.000 0.281 318 L C 0.340 177.134 176.870 -0.126 0.000 1.014 318 L CA 1.392 56.179 54.840 -0.088 0.000 0.815 318 L CB 1.255 43.298 42.059 -0.028 0.000 1.247 318 L HN 1.094 nan 8.230 nan 0.000 0.421 319 G N 3.190 111.958 108.800 -0.055 0.000 2.255 319 G HA2 -0.082 3.856 3.960 -0.037 0.000 0.216 319 G HA3 -0.082 3.856 3.960 -0.037 0.000 0.216 319 G C -1.418 173.488 174.900 0.009 0.000 1.307 319 G CA -0.263 44.835 45.100 -0.003 0.000 1.162 319 G HN 0.672 nan 8.290 nan 0.000 0.494 320 D N 1.595 122.028 120.400 0.056 0.000 2.456 320 D HA 0.440 5.058 4.640 -0.037 0.000 0.219 320 D C 0.182 176.522 176.300 0.067 0.000 1.126 320 D CA -0.229 53.804 54.000 0.055 0.000 0.890 320 D CB 0.146 40.984 40.800 0.063 0.000 1.025 320 D HN 0.342 nan 8.370 nan 0.000 0.511 321 I N 2.297 122.859 120.570 -0.013 0.000 2.385 321 I HA 0.227 4.374 4.170 -0.037 0.000 0.294 321 I C 0.668 176.716 176.117 -0.114 0.000 0.988 321 I CA -0.421 60.806 61.300 -0.121 0.000 1.265 321 I CB 1.592 39.362 38.000 -0.383 0.000 1.388 321 I HN 0.114 nan 8.210 nan 0.000 0.480 322 T N 6.114 120.624 114.554 -0.072 0.000 2.786 322 T HA 0.520 4.847 4.350 -0.037 0.000 0.283 322 T C -0.564 174.096 174.700 -0.067 0.000 0.992 322 T CA -0.291 61.835 62.100 0.043 0.000 0.954 322 T CB 0.587 69.620 68.868 0.275 0.000 0.934 322 T HN 0.181 nan 8.240 nan 0.000 0.440 323 Y N 2.017 122.368 120.300 0.085 0.000 2.432 323 Y HA 0.690 5.218 4.550 -0.037 0.000 0.322 323 Y C 0.252 176.169 175.900 0.029 0.000 1.246 323 Y CA -1.244 56.886 58.100 0.050 0.000 1.268 323 Y CB 1.063 39.544 38.460 0.035 0.000 1.276 323 Y HN 0.314 nan 8.280 nan 0.000 0.499 324 L N 1.128 122.471 121.223 0.200 0.000 2.410 324 L HA 0.435 4.752 4.340 -0.037 0.000 0.270 324 L C -0.862 176.012 176.870 0.008 0.000 0.983 324 L CA -0.609 54.273 54.840 0.070 0.000 0.822 324 L CB 2.144 44.212 42.059 0.015 0.000 1.285 324 L HN 0.557 nan 8.230 nan 0.000 0.409 325 S N 3.861 119.539 115.700 -0.037 0.000 2.475 325 S HA 0.321 4.769 4.470 -0.037 0.000 0.249 325 S C -2.273 172.236 174.600 -0.152 0.000 1.298 325 S CA -1.078 57.065 58.200 -0.094 0.000 1.125 325 S CB 0.600 63.765 63.200 -0.058 0.000 1.054 325 S HN 0.390 nan 8.310 nan 0.000 0.484 326 P HA 0.094 nan 4.420 nan 0.000 0.269 326 P C -0.749 176.438 177.300 -0.189 0.000 1.217 326 P CA -0.204 62.684 63.100 -0.355 0.000 0.783 326 P CB 0.614 31.707 31.700 -1.011 0.000 0.898 327 V N 3.934 123.805 119.914 -0.071 0.000 2.409 327 V HA 0.379 4.477 4.120 -0.037 0.000 0.291 327 V C 0.600 176.715 176.094 0.036 0.000 1.020 327 V CA -0.615 61.676 62.300 -0.014 0.000 0.848 327 V CB 1.372 33.199 31.823 0.006 0.000 0.990 327 V HN 0.534 nan 8.190 nan 0.000 0.430 328 I N 3.107 123.694 120.570 0.029 0.000 3.076 328 I HA 0.706 4.854 4.170 -0.037 0.000 0.313 328 I C 0.053 176.172 176.117 0.003 0.000 1.053 328 I CA -0.284 61.040 61.300 0.039 0.000 1.048 328 I CB 2.447 40.480 38.000 0.055 0.000 1.264 328 I HN 0.662 nan 8.210 nan 0.000 0.498 329 S N 2.655 118.341 115.700 -0.023 0.000 2.454 329 S HA 0.363 4.811 4.470 -0.037 0.000 0.306 329 S C -0.604 173.974 174.600 -0.035 0.000 1.100 329 S CA -0.829 57.350 58.200 -0.035 0.000 1.087 329 S CB 0.874 64.034 63.200 -0.066 0.000 1.019 329 S HN 0.694 nan 8.310 nan 0.000 0.480 330 D N 3.578 123.971 120.400 -0.011 0.000 2.376 330 D HA 0.298 4.916 4.640 -0.037 0.000 0.268 330 D C 1.318 177.566 176.300 -0.086 0.000 1.252 330 D CA -0.054 53.936 54.000 -0.017 0.000 1.041 330 D CB -0.134 40.697 40.800 0.053 0.000 1.109 330 D HN 0.509 nan 8.370 nan 0.000 0.552 331 A N -1.407 121.290 122.820 -0.204 0.000 2.168 331 A HA 0.037 4.335 4.320 -0.037 0.000 0.215 331 A C 1.436 178.679 177.584 -0.568 0.000 1.152 331 A CA 0.503 52.289 52.037 -0.417 0.000 0.716 331 A CB -0.816 17.840 19.000 -0.574 0.000 0.794 331 A HN 0.426 nan 8.150 nan 0.000 0.465 332 F N -1.707 118.247 119.950 0.007 0.000 2.678 332 F HA 0.395 4.900 4.527 -0.037 0.000 0.305 332 F C 1.749 177.542 175.800 -0.012 0.000 1.090 332 F CA 0.275 58.276 58.000 0.002 0.000 1.272 332 F CB 0.414 39.415 39.000 0.002 0.000 1.060 332 F HN 0.297 nan 8.300 nan 0.000 0.576 333 G N 0.530 109.380 108.800 0.083 0.000 2.179 333 G HA2 -0.265 3.673 3.960 -0.037 0.000 0.220 333 G HA3 -0.265 3.673 3.960 -0.037 0.000 0.220 333 G C -0.087 174.827 174.900 0.023 0.000 0.990 333 G CA -0.417 44.700 45.100 0.029 0.000 0.646 333 G HN 0.407 nan 8.290 nan 0.000 0.517 334 N N 2.673 121.411 118.700 0.064 0.000 2.514 334 N HA 0.497 5.215 4.740 -0.037 0.000 0.277 334 N C -2.338 173.183 175.510 0.018 0.000 1.126 334 N CA -1.190 51.885 53.050 0.041 0.000 0.978 334 N CB 1.466 39.994 38.487 0.069 0.000 1.106 334 N HN 0.121 nan 8.380 nan 0.000 0.461 335 P HA 0.007 nan 4.420 nan 0.000 0.268 335 P C -0.949 176.355 177.300 0.007 0.000 1.204 335 P CA 0.185 63.282 63.100 -0.004 0.000 0.768 335 P CB 0.832 32.525 31.700 -0.012 0.000 0.842 336 R N 2.726 123.230 120.500 0.007 0.000 2.513 336 R HA 0.265 4.582 4.340 -0.037 0.000 0.301 336 R C -0.698 175.602 176.300 0.000 0.000 0.968 336 R CA -0.555 55.551 56.100 0.011 0.000 0.872 336 R CB 1.572 31.884 30.300 0.019 0.000 1.177 336 R HN 0.538 nan 8.270 nan 0.000 0.444 337 E N 5.412 125.609 120.200 -0.005 0.000 2.156 337 E HA 0.217 4.545 4.350 -0.037 0.000 0.279 337 E C -0.278 176.305 176.600 -0.029 0.000 0.965 337 E CA -0.679 55.706 56.400 -0.024 0.000 0.789 337 E CB 0.921 30.607 29.700 -0.024 0.000 1.098 337 E HN 0.424 nan 8.360 nan 0.000 0.397 338 I N 5.342 125.876 120.570 -0.061 0.000 2.281 338 I HA 0.193 4.340 4.170 -0.037 0.000 0.293 338 I C 0.633 176.705 176.117 -0.075 0.000 1.085 338 I CA -0.149 61.118 61.300 -0.056 0.000 1.257 338 I CB 0.202 38.143 38.000 -0.098 0.000 1.430 338 I HN 0.498 nan 8.210 nan 0.000 0.489 339 R N 6.532 127.001 120.500 -0.052 0.000 2.442 339 R HA 0.065 4.383 4.340 -0.037 0.000 0.291 339 R C 0.163 176.399 176.300 -0.107 0.000 1.069 339 R CA -0.099 55.954 56.100 -0.078 0.000 1.022 339 R CB 0.349 30.604 30.300 -0.074 0.000 0.976 339 R HN 0.552 nan 8.270 nan 0.000 0.443 340 N N 2.335 120.945 118.700 -0.151 0.000 2.714 340 N HA -0.175 4.543 4.740 -0.037 0.000 0.252 340 N C 0.406 175.938 175.510 0.037 0.000 1.014 340 N CA 1.182 54.105 53.050 -0.212 0.000 0.735 340 N CB -1.184 36.870 38.487 -0.721 0.000 0.924 340 N HN 0.902 nan 8.380 nan 0.000 0.540 341 G N -1.172 107.648 108.800 0.033 0.000 2.880 341 G HA2 0.325 4.263 3.960 -0.037 0.000 0.209 341 G HA3 0.325 4.263 3.960 -0.037 0.000 0.209 341 G C 0.445 175.429 174.900 0.139 0.000 1.157 341 G CA 0.089 45.229 45.100 0.067 0.000 0.779 341 G HN 0.431 nan 8.290 nan 0.000 0.539 342 I N 0.443 121.106 120.570 0.156 0.000 2.478 342 I HA 0.288 4.436 4.170 -0.037 0.000 0.287 342 I C -0.750 175.470 176.117 0.171 0.000 1.042 342 I CA -0.831 60.563 61.300 0.156 0.000 1.067 342 I CB 2.451 40.475 38.000 0.041 0.000 1.233 342 I HN -0.188 nan 8.210 nan 0.000 0.431 343 c N 7.017 125.684 118.600 0.112 0.000 2.365 343 c HA 0.701 5.249 4.570 -0.037 0.000 0.351 343 c C 0.020 174.088 174.090 -0.035 0.000 1.240 343 c CA -0.374 55.938 56.329 -0.028 0.000 2.062 343 c CB 0.667 43.187 42.510 0.016 0.000 2.387 343 c HN 0.666 nan 8.230 nan 0.000 0.537 344 M N 5.679 125.229 119.600 -0.084 0.000 2.271 344 M HA 0.441 4.899 4.480 -0.037 0.000 0.285 344 M C -0.797 175.499 176.300 -0.006 0.000 1.059 344 M CA -0.154 55.059 55.300 -0.144 0.000 0.940 344 M CB 1.819 34.261 32.600 -0.263 0.000 1.636 344 M HN 0.961 nan 8.290 nan 0.000 0.460 345 H N 1.147 120.062 119.070 -0.258 0.000 2.987 345 H HA 0.457 4.991 4.556 -0.037 0.000 0.316 345 H C -2.097 173.137 175.328 -0.156 0.000 1.380 345 H CA -1.005 55.017 56.048 -0.043 0.000 1.160 345 H CB 1.095 30.861 29.762 0.007 0.000 1.865 345 H HN 0.730 nan 8.280 nan 0.000 0.521 346 E N 1.225 121.361 120.200 -0.108 0.000 2.212 346 E HA 0.571 4.899 4.350 -0.037 0.000 0.270 346 E C -0.958 175.596 176.600 -0.077 0.000 0.956 346 E CA -0.837 55.426 56.400 -0.228 0.000 0.825 346 E CB 2.767 32.502 29.700 0.058 0.000 1.167 346 E HN 0.604 nan 8.360 nan 0.000 0.400 347 E N 1.017 121.163 120.200 -0.091 0.000 2.288 347 E HA 0.166 4.493 4.350 -0.037 0.000 0.268 347 E C -1.600 175.106 176.600 0.177 0.000 0.885 347 E CA -0.890 55.548 56.400 0.063 0.000 0.767 347 E CB 2.052 31.752 29.700 0.001 0.000 1.220 347 E HN 0.588 nan 8.360 nan 0.000 0.427 348 D N 1.239 121.769 120.400 0.218 0.000 2.341 348 D HA 0.045 4.663 4.640 -0.037 0.000 0.245 348 D C -0.874 175.650 176.300 0.372 0.000 1.106 348 D CA -0.004 54.141 54.000 0.242 0.000 0.905 348 D CB 0.575 41.471 40.800 0.160 0.000 1.202 348 D HN 0.405 nan 8.370 nan 0.000 0.426 349 W N 5.545 126.893 121.300 0.079 0.000 1.232 349 W HA 0.369 5.007 4.660 -0.037 0.000 0.294 349 W C 0.190 176.733 176.519 0.040 0.000 0.854 349 W CA 0.095 57.480 57.345 0.068 0.000 2.354 349 W CB 0.134 29.683 29.460 0.148 0.000 1.496 349 W HN 0.828 nan 8.180 nan 0.000 0.511 350 G N 1.958 110.721 108.800 -0.061 0.000 2.562 350 G HA2 -0.317 3.620 3.960 -0.037 0.000 0.250 350 G HA3 -0.317 3.620 3.960 -0.037 0.000 0.250 350 G C -0.476 174.399 174.900 -0.042 0.000 1.269 350 G CA -0.103 44.920 45.100 -0.129 0.000 0.919 350 G HN 0.072 nan 8.290 nan 0.000 0.574 351 I N 1.403 121.932 120.570 -0.068 0.000 2.441 351 I HA 0.255 4.402 4.170 -0.037 0.000 0.287 351 I C 1.551 177.673 176.117 0.009 0.000 1.049 351 I CA -0.135 61.150 61.300 -0.026 0.000 1.381 351 I CB 0.913 38.891 38.000 -0.037 0.000 1.409 351 I HN 0.638 nan 8.210 nan 0.000 0.523 352 L N 6.462 127.711 121.223 0.043 0.000 2.200 352 L HA 0.471 4.789 4.340 -0.037 0.000 0.200 352 L C 0.608 177.519 176.870 0.068 0.000 1.072 352 L CA 1.060 55.945 54.840 0.075 0.000 0.787 352 L CB 0.088 42.206 42.059 0.099 0.000 0.957 352 L HN 0.704 nan 8.230 nan 0.000 0.459 353 A N -0.396 122.474 122.820 0.083 0.000 2.566 353 A HA 0.648 4.946 4.320 -0.037 0.000 0.297 353 A C -1.098 176.591 177.584 0.175 0.000 1.059 353 A CA -0.605 51.514 52.037 0.138 0.000 0.691 353 A CB 1.099 20.229 19.000 0.216 0.000 1.282 353 A HN 0.076 nan 8.150 nan 0.000 0.401 354 K N 1.075 121.587 120.400 0.188 0.000 2.562 354 K HA 0.611 4.909 4.320 -0.037 0.000 0.267 354 K C -2.213 174.536 176.600 0.249 0.000 0.938 354 K CA -0.552 55.858 56.287 0.205 0.000 0.840 354 K CB 1.934 34.485 32.500 0.085 0.000 1.390 354 K HN 1.103 nan 8.250 nan 0.000 0.428 355 H N -0.003 119.140 119.070 0.122 0.000 3.151 355 H HA 0.352 4.886 4.556 -0.037 0.000 0.333 355 H C -1.994 173.360 175.328 0.045 0.000 1.093 355 H CA -0.319 55.758 56.048 0.047 0.000 1.342 355 H CB 1.922 31.690 29.762 0.009 0.000 1.983 355 H HN 0.433 nan 8.280 nan 0.000 0.503 356 S N 3.876 119.281 115.700 -0.492 0.000 2.498 356 S HA 0.198 4.646 4.470 -0.037 0.000 0.324 356 S C -0.829 173.354 174.600 -0.694 0.000 1.071 356 S CA -0.655 57.311 58.200 -0.391 0.000 1.113 356 S CB 0.626 63.703 63.200 -0.206 0.000 0.976 356 S HN 0.643 nan 8.310 nan 0.000 0.462 357 D N 1.957 122.042 120.400 -0.525 0.000 2.225 357 D HA 0.317 4.935 4.640 -0.037 0.000 0.248 357 D C 0.956 177.144 176.300 -0.187 0.000 1.096 357 D CA -0.583 53.192 54.000 -0.375 0.000 0.863 357 D CB 0.931 41.679 40.800 -0.087 0.000 1.156 357 D HN 0.260 nan 8.370 nan 0.000 0.450 358 L N 5.094 126.180 121.223 -0.229 0.000 2.027 358 L HA 0.017 4.335 4.340 -0.037 0.000 0.206 358 L C 1.381 178.281 176.870 0.050 0.000 1.074 358 L CA 1.482 56.233 54.840 -0.147 0.000 0.745 358 L CB -0.412 41.484 42.059 -0.272 0.000 0.898 358 L HN 0.611 nan 8.230 nan 0.000 0.433 359 W N -0.153 121.146 121.300 -0.002 0.000 2.381 359 W HA -0.084 4.554 4.660 -0.037 0.000 0.301 359 W C 2.953 179.473 176.519 0.001 0.000 1.205 359 W CA 1.503 58.850 57.345 0.003 0.000 1.285 359 W CB -1.695 27.772 29.460 0.012 0.000 1.133 359 W HN 0.521 nan 8.180 nan 0.000 0.521 360 S N -1.310 114.526 115.700 0.227 0.000 2.486 360 S HA 0.313 4.761 4.470 -0.037 0.000 0.220 360 S C 1.772 176.419 174.600 0.078 0.000 1.011 360 S CA 0.788 59.067 58.200 0.131 0.000 0.921 360 S CB -0.014 63.254 63.200 0.112 0.000 0.785 360 S HN 0.420 nan 8.310 nan 0.000 0.517 361 G N 1.253 110.085 108.800 0.054 0.000 2.162 361 G HA2 -0.234 3.704 3.960 -0.037 0.000 0.260 361 G HA3 -0.234 3.704 3.960 -0.037 0.000 0.260 361 G C -0.002 174.905 174.900 0.012 0.000 0.976 361 G CA 0.320 45.434 45.100 0.023 0.000 0.655 361 G HN 0.600 nan 8.290 nan 0.000 0.533 362 I N 1.207 121.789 120.570 0.020 0.000 2.371 362 I HA 0.267 4.415 4.170 -0.037 0.000 0.290 362 I C -0.435 175.693 176.117 0.020 0.000 1.028 362 I CA -0.762 60.558 61.300 0.034 0.000 1.345 362 I CB 0.991 39.027 38.000 0.059 0.000 1.407 362 I HN -0.045 nan 8.210 nan 0.000 0.501 363 N N 6.525 125.247 118.700 0.037 0.000 2.476 363 N HA 0.253 4.971 4.740 -0.037 0.000 0.257 363 N C -1.212 174.368 175.510 0.116 0.000 0.970 363 N CA -0.416 52.654 53.050 0.034 0.000 0.938 363 N CB 1.345 39.831 38.487 -0.002 0.000 1.144 363 N HN 0.449 nan 8.380 nan 0.000 0.500 364 Y N 1.364 121.662 120.300 -0.005 0.000 2.352 364 Y HA 0.510 5.038 4.550 -0.037 0.000 0.339 364 Y C -0.697 175.214 175.900 0.018 0.000 0.992 364 Y CA -0.250 57.861 58.100 0.017 0.000 1.100 364 Y CB 1.448 39.934 38.460 0.042 0.000 1.192 364 Y HN 0.305 nan 8.280 nan 0.000 0.458 365 T N 7.036 121.369 114.554 -0.369 0.000 3.071 365 T HA 0.536 4.864 4.350 -0.037 0.000 0.311 365 T C -1.304 173.154 174.700 -0.402 0.000 1.042 365 T CA -1.005 60.932 62.100 -0.271 0.000 1.028 365 T CB 1.029 69.823 68.868 -0.123 0.000 1.068 365 T HN 0.431 nan 8.240 nan 0.000 0.451 366 R N 2.133 122.469 120.500 -0.273 0.000 2.628 366 R HA 0.496 4.814 4.340 -0.037 0.000 0.288 366 R C -0.458 175.810 176.300 -0.052 0.000 0.980 366 R CA -0.862 55.127 56.100 -0.186 0.000 0.891 366 R CB 2.236 32.435 30.300 -0.168 0.000 1.188 366 R HN 0.507 nan 8.270 nan 0.000 0.450 367 R N 1.422 121.910 120.500 -0.020 0.000 2.459 367 R HA 0.253 4.571 4.340 -0.037 0.000 0.281 367 R C 0.232 176.589 176.300 0.096 0.000 1.050 367 R CA -0.714 55.407 56.100 0.035 0.000 1.055 367 R CB 0.827 31.152 30.300 0.041 0.000 1.045 367 R HN 0.399 nan 8.270 nan 0.000 0.495 368 N N 1.246 120.038 118.700 0.153 0.000 2.489 368 N HA 0.327 5.045 4.740 -0.037 0.000 0.284 368 N C -0.959 174.755 175.510 0.340 0.000 1.158 368 N CA -0.343 52.862 53.050 0.259 0.000 0.965 368 N CB 1.094 39.773 38.487 0.320 0.000 1.195 368 N HN 0.395 nan 8.380 nan 0.000 0.506 369 R N 0.065 120.812 120.500 0.412 0.000 2.740 369 R HA 0.495 4.813 4.340 -0.037 0.000 0.273 369 R C -0.787 175.790 176.300 0.462 0.000 0.998 369 R CA -0.900 55.462 56.100 0.435 0.000 0.900 369 R CB 2.271 32.852 30.300 0.468 0.000 1.223 369 R HN 0.615 nan 8.270 nan 0.000 0.466 370 R N 3.003 123.584 120.500 0.135 0.000 2.744 370 R HA 0.497 4.815 4.340 -0.037 0.000 0.279 370 R C -1.215 174.695 176.300 -0.649 0.000 0.977 370 R CA -0.774 55.111 56.100 -0.358 0.000 0.906 370 R CB 2.058 31.773 30.300 -0.974 0.000 1.197 370 R HN 0.541 nan 8.270 nan 0.000 0.463 371 M N 3.126 122.066 119.600 -1.099 0.000 2.363 371 M HA 0.358 4.816 4.480 -0.037 0.000 0.343 371 M C -1.278 174.561 176.300 -0.768 0.000 1.165 371 M CA -0.914 53.657 55.300 -1.216 0.000 1.046 371 M CB 1.874 33.410 32.600 -1.774 0.000 1.648 371 M HN 0.513 nan 8.290 nan 0.000 0.452 372 V N 5.958 125.461 119.914 -0.685 0.000 2.448 372 V HA 0.516 4.614 4.120 -0.037 0.000 0.295 372 V C -0.554 175.351 176.094 -0.315 0.000 1.025 372 V CA -0.586 61.475 62.300 -0.399 0.000 0.859 372 V CB 1.647 33.287 31.823 -0.304 0.000 0.988 372 V HN 0.742 nan 8.190 nan 0.000 0.431 373 I N 4.733 125.172 120.570 -0.217 0.000 2.439 373 I HA 0.624 4.772 4.170 -0.037 0.000 0.285 373 I C -0.051 176.044 176.117 -0.035 0.000 1.021 373 I CA 0.057 61.281 61.300 -0.127 0.000 1.091 373 I CB 1.908 39.823 38.000 -0.141 0.000 1.242 373 I HN 0.794 nan 8.210 nan 0.000 0.439 374 S N 5.769 121.448 115.700 -0.036 0.000 2.618 374 S HA 0.877 5.325 4.470 -0.037 0.000 0.277 374 S C -0.891 173.767 174.600 0.097 0.000 1.138 374 S CA -0.730 57.375 58.200 -0.159 0.000 0.844 374 S CB 2.578 65.370 63.200 -0.680 0.000 1.127 374 S HN 0.532 nan 8.310 nan 0.000 0.474 375 F N -0.956 118.921 119.950 -0.123 0.000 2.668 375 F HA 0.882 5.387 4.527 -0.037 0.000 0.309 375 F C -2.344 173.508 175.800 0.085 0.000 1.117 375 F CA -1.583 56.462 58.000 0.075 0.000 0.951 375 F CB 0.869 39.975 39.000 0.177 0.000 1.323 375 F HN 0.598 nan 8.300 nan 0.000 0.451 376 F N 0.941 120.896 119.950 0.009 0.000 2.551 376 F HA 0.698 5.203 4.527 -0.037 0.000 0.316 376 F C -0.176 175.714 175.800 0.151 0.000 1.089 376 F CA -0.501 57.486 58.000 -0.022 0.000 0.915 376 F CB 2.394 41.441 39.000 0.078 0.000 1.186 376 F HN 0.815 nan 8.300 nan 0.000 0.456 377 T N 2.145 116.934 114.554 0.392 0.000 2.893 377 T HA 0.574 4.902 4.350 -0.037 0.000 0.293 377 T C -1.087 173.894 174.700 0.469 0.000 1.027 377 T CA -0.342 62.041 62.100 0.473 0.000 0.988 377 T CB 1.077 70.228 68.868 0.472 0.000 1.043 377 T HN 0.564 nan 8.240 nan 0.000 0.461 378 T N 5.092 119.885 114.554 0.397 0.000 2.779 378 T HA 0.597 4.925 4.350 -0.037 0.000 0.280 378 T C -0.262 174.541 174.700 0.172 0.000 0.987 378 T CA -0.477 61.785 62.100 0.271 0.000 0.966 378 T CB 0.439 69.435 68.868 0.214 0.000 0.933 378 T HN 0.529 nan 8.240 nan 0.000 0.442 379 I N 3.488 124.115 120.570 0.096 0.000 2.698 379 I HA 0.415 4.563 4.170 -0.037 0.000 0.276 379 I C 1.057 177.103 176.117 -0.119 0.000 1.166 379 I CA -0.307 60.937 61.300 -0.094 0.000 1.101 379 I CB 0.458 38.421 38.000 -0.061 0.000 1.305 379 I HN 0.965 nan 8.210 nan 0.000 0.526 380 G N 5.332 114.070 108.800 -0.103 0.000 2.609 380 G HA2 -0.369 3.569 3.960 -0.037 0.000 0.288 380 G HA3 -0.369 3.569 3.960 -0.037 0.000 0.288 380 G C 0.860 175.732 174.900 -0.045 0.000 1.211 380 G CA 0.588 45.696 45.100 0.013 0.000 0.963 380 G HN 0.604 nan 8.290 nan 0.000 0.541 381 N N 0.261 118.738 118.700 -0.373 0.000 2.333 381 N HA 0.073 4.791 4.740 -0.037 0.000 0.178 381 N C 0.658 175.796 175.510 -0.619 0.000 1.018 381 N CA 1.227 53.710 53.050 -0.944 0.000 0.882 381 N CB -0.074 37.410 38.487 -1.671 0.000 0.984 381 N HN 0.524 nan 8.380 nan 0.000 0.434 382 Y N 1.195 121.302 120.300 -0.321 0.000 2.352 382 Y HA 0.406 4.935 4.550 -0.034 0.000 0.326 382 Y C -0.482 175.281 175.900 -0.229 0.000 1.166 382 Y CA -1.164 56.745 58.100 -0.318 0.000 1.182 382 Y CB 1.088 39.323 38.460 -0.374 0.000 1.216 382 Y HN -0.058 nan 8.280 nan 0.000 0.474 383 D N 1.295 121.660 120.400 -0.058 0.000 2.505 383 D HA 0.385 5.002 4.640 -0.037 0.000 0.249 383 D C -1.544 174.745 176.300 -0.019 0.000 1.082 383 D CA -0.380 53.682 54.000 0.103 0.000 0.839 383 D CB 1.192 42.086 40.800 0.157 0.000 1.317 383 D HN 0.267 nan 8.370 nan 0.000 0.497 384 Y N 0.134 120.593 120.300 0.266 0.000 2.409 384 Y HA 0.623 5.151 4.550 -0.037 0.000 0.343 384 Y C 0.758 176.257 175.900 -0.670 0.000 0.973 384 Y CA -1.132 56.924 58.100 -0.073 0.000 1.064 384 Y CB 2.415 40.876 38.460 0.002 0.000 1.207 384 Y HN 0.441 nan 8.280 nan 0.000 0.452 385 G N 2.321 110.527 108.800 -0.990 0.000 2.343 385 G HA2 0.568 4.506 3.960 -0.037 0.000 0.319 385 G HA3 0.568 4.506 3.960 -0.037 0.000 0.319 385 G C -1.653 172.726 174.900 -0.870 0.000 1.126 385 G CA -0.349 43.858 45.100 -1.489 0.000 0.889 385 G HN 0.346 nan 8.290 nan 0.000 0.457 386 F N 1.397 120.781 119.950 -0.942 0.000 2.449 386 F HA 0.489 4.993 4.527 -0.038 0.000 0.342 386 F C -0.673 174.680 175.800 -0.744 0.000 1.127 386 F CA -0.783 56.867 58.000 -0.584 0.000 0.975 386 F CB 1.871 40.667 39.000 -0.338 0.000 1.146 386 F HN 0.319 nan 8.300 nan 0.000 0.444 387 Y N 1.381 121.266 120.300 -0.691 0.000 2.391 387 Y HA 0.462 4.990 4.550 -0.037 0.000 0.341 387 Y C -1.139 174.074 175.900 -1.145 0.000 0.965 387 Y CA -1.414 56.206 58.100 -0.800 0.000 1.067 387 Y CB 1.596 39.512 38.460 -0.907 0.000 1.199 387 Y HN 0.520 nan 8.280 nan 0.000 0.450 388 W N 3.361 124.297 121.300 -0.607 0.000 2.587 388 W HA 0.615 5.253 4.660 -0.037 0.000 0.324 388 W C -1.522 174.544 176.519 -0.756 0.000 1.040 388 W CA -0.789 56.235 57.345 -0.535 0.000 1.222 388 W CB 1.251 30.568 29.460 -0.240 0.000 1.381 388 W HN 0.325 nan 8.180 nan 0.000 0.483 389 Y N 3.006 123.203 120.300 -0.172 0.000 2.409 389 Y HA 0.671 5.199 4.550 -0.037 0.000 0.343 389 Y C -0.281 175.271 175.900 -0.580 0.000 0.973 389 Y CA -1.512 56.277 58.100 -0.519 0.000 1.064 389 Y CB 1.252 39.280 38.460 -0.720 0.000 1.207 389 Y HN 0.072 nan 8.280 nan 0.000 0.452 390 L N 4.201 125.045 121.223 -0.631 0.000 2.349 390 L HA 0.521 4.839 4.340 -0.037 0.000 0.278 390 L C -1.270 175.386 176.870 -0.355 0.000 0.996 390 L CA -0.836 53.617 54.840 -0.644 0.000 0.825 390 L CB 1.293 42.703 42.059 -1.082 0.000 1.243 390 L HN 0.605 nan 8.230 nan 0.000 0.412 391 Y N 1.931 122.401 120.300 0.283 0.000 2.496 391 Y HA 0.323 4.850 4.550 -0.037 0.000 0.331 391 Y C 1.208 177.551 175.900 0.738 0.000 1.140 391 Y CA -0.812 57.558 58.100 0.450 0.000 1.166 391 Y CB 1.345 39.957 38.460 0.255 0.000 1.249 391 Y HN 0.427 nan 8.280 nan 0.000 0.479 392 L N 0.838 122.473 121.223 0.687 0.000 2.081 392 L HA -0.220 4.098 4.340 -0.037 0.000 0.212 392 L C 1.697 178.778 176.870 0.351 0.000 1.080 392 L CA 1.866 56.962 54.840 0.428 0.000 0.754 392 L CB -0.315 41.888 42.059 0.240 0.000 0.893 392 L HN 0.799 nan 8.230 nan 0.000 0.433 393 D N -0.623 119.967 120.400 0.317 0.000 2.336 393 D HA -0.025 4.593 4.640 -0.037 0.000 0.229 393 D C 1.352 177.701 176.300 0.083 0.000 1.061 393 D CA 0.919 54.987 54.000 0.114 0.000 0.875 393 D CB 0.381 41.228 40.800 0.080 0.000 0.904 393 D HN 0.365 nan 8.370 nan 0.000 0.525 394 G N -0.104 108.922 108.800 0.377 0.000 2.176 394 G HA2 -0.234 3.704 3.960 -0.037 0.000 0.232 394 G HA3 -0.234 3.704 3.960 -0.037 0.000 0.232 394 G C 0.324 175.692 174.900 0.780 0.000 0.986 394 G CA 0.196 45.569 45.100 0.455 0.000 0.643 394 G HN 0.430 nan 8.290 nan 0.000 0.522 395 T N 1.037 115.997 114.554 0.678 0.000 2.897 395 T HA 0.604 4.932 4.350 -0.037 0.000 0.294 395 T C 0.452 175.549 174.700 0.662 0.000 1.004 395 T CA 0.358 62.807 62.100 0.582 0.000 1.106 395 T CB 1.401 70.471 68.868 0.336 0.000 0.949 395 T HN 0.338 nan 8.240 nan 0.000 0.520 396 I N 2.498 123.380 120.570 0.520 0.000 2.465 396 I HA 0.478 4.626 4.170 -0.037 0.000 0.291 396 I C 0.057 176.353 176.117 0.297 0.000 1.014 396 I CA -0.607 60.889 61.300 0.327 0.000 1.093 396 I CB 1.891 40.059 38.000 0.280 0.000 1.267 396 I HN 0.589 nan 8.210 nan 0.000 0.431 397 E N 5.622 125.953 120.200 0.219 0.000 2.340 397 E HA 0.499 4.827 4.350 -0.037 0.000 0.273 397 E C -2.005 174.488 176.600 -0.178 0.000 0.891 397 E CA -0.659 55.784 56.400 0.071 0.000 0.757 397 E CB 2.636 32.502 29.700 0.277 0.000 1.231 397 E HN 0.410 nan 8.360 nan 0.000 0.439 398 F N 2.368 121.843 119.950 -0.791 0.000 2.520 398 F HA 0.509 5.014 4.527 -0.037 0.000 0.322 398 F C -1.126 174.168 175.800 -0.843 0.000 1.103 398 F CA -0.571 56.748 58.000 -1.135 0.000 0.926 398 F CB 1.787 39.756 39.000 -1.717 0.000 1.154 398 F HN 0.513 nan 8.300 nan 0.000 0.453 399 E N 4.093 123.063 120.200 -2.049 0.000 2.278 399 E HA 0.671 4.999 4.350 -0.037 0.000 0.272 399 E C -1.880 173.844 176.600 -1.461 0.000 0.890 399 E CA -0.929 54.663 56.400 -1.346 0.000 0.770 399 E CB 1.727 31.111 29.700 -0.526 0.000 1.212 399 E HN 0.836 nan 8.360 nan 0.000 0.415 400 A N 4.577 126.747 122.820 -1.084 0.000 2.276 400 A HA 0.487 4.785 4.320 -0.037 0.000 0.316 400 A C -0.724 176.551 177.584 -0.515 0.000 1.229 400 A CA -0.649 50.847 52.037 -0.901 0.000 0.851 400 A CB 0.623 18.917 19.000 -1.177 0.000 1.165 400 A HN 0.527 nan 8.150 nan 0.000 0.513 401 K N 2.153 122.316 120.400 -0.394 0.000 2.367 401 K HA 0.534 4.832 4.320 -0.037 0.000 0.263 401 K C -0.354 176.162 176.600 -0.141 0.000 1.000 401 K CA -0.206 55.952 56.287 -0.216 0.000 0.891 401 K CB 1.904 34.325 32.500 -0.131 0.000 1.117 401 K HN 0.730 nan 8.250 nan 0.000 0.443 402 A N 3.005 125.739 122.820 -0.144 0.000 2.301 402 A HA 0.594 4.892 4.320 -0.037 0.000 0.298 402 A C -0.146 177.320 177.584 -0.198 0.000 1.185 402 A CA 0.016 51.889 52.037 -0.274 0.000 0.830 402 A CB 0.608 19.342 19.000 -0.444 0.000 1.112 402 A HN 0.682 nan 8.150 nan 0.000 0.508 403 T N 0.101 114.533 114.554 -0.203 0.000 2.612 403 T HA 0.840 5.168 4.350 -0.037 0.000 0.296 403 T C 0.524 175.234 174.700 0.016 0.000 1.148 403 T CA 0.374 62.441 62.100 -0.055 0.000 1.077 403 T CB 0.972 69.839 68.868 -0.002 0.000 1.591 403 T HN 2.406 nan 8.240 nan 0.000 0.479 404 G N -0.137 108.631 108.800 -0.053 0.000 2.475 404 G HA2 0.006 3.943 3.960 -0.037 0.000 0.223 404 G HA3 0.006 3.943 3.960 -0.037 0.000 0.223 404 G C -1.314 173.455 174.900 -0.220 0.000 1.201 404 G CA -0.284 44.742 45.100 -0.123 0.000 0.962 404 G HN 1.148 nan 8.290 nan 0.000 0.586 405 V N 0.656 120.325 119.914 -0.409 0.000 2.540 405 V HA 0.581 4.679 4.120 -0.037 0.000 0.302 405 V C 0.858 176.557 176.094 -0.658 0.000 1.035 405 V CA -0.635 61.381 62.300 -0.472 0.000 0.873 405 V CB 1.481 32.945 31.823 -0.598 0.000 0.992 405 V HN 0.955 nan 8.190 nan 0.000 0.428 406 V N 4.370 124.135 119.914 -0.249 0.000 2.740 406 V HA 0.094 4.192 4.120 -0.037 0.000 0.303 406 V C 0.071 176.051 176.094 -0.189 0.000 1.054 406 V CA 0.040 62.253 62.300 -0.144 0.000 1.106 406 V CB 0.456 32.409 31.823 0.217 0.000 0.957 406 V HN 0.680 nan 8.190 nan 0.000 0.486 407 F N 4.675 124.424 119.950 -0.335 0.000 2.504 407 F HA 0.363 4.871 4.527 -0.032 0.000 0.369 407 F C 0.951 176.762 175.800 0.017 0.000 1.082 407 F CA -0.047 57.833 58.000 -0.200 0.000 1.216 407 F CB 0.723 39.586 39.000 -0.228 0.000 1.108 407 F HN 0.716 nan 8.300 nan 0.000 0.554 408 T N 1.809 116.284 114.554 -0.132 0.000 2.944 408 T HA 0.787 5.114 4.350 -0.037 0.000 0.284 408 T C -0.102 174.598 174.700 -0.001 0.000 1.010 408 T CA -0.284 61.797 62.100 -0.030 0.000 1.025 408 T CB 1.644 70.464 68.868 -0.080 0.000 1.079 408 T HN 0.689 nan 8.240 nan 0.000 0.516 409 S N -0.137 115.549 115.700 -0.022 0.000 2.819 409 S HA 0.809 5.257 4.470 -0.037 0.000 0.299 409 S C -0.748 173.795 174.600 -0.095 0.000 1.192 409 S CA -0.834 57.324 58.200 -0.070 0.000 0.847 409 S CB 0.872 64.044 63.200 -0.046 0.000 1.224 409 S HN 1.396 nan 8.310 nan 0.000 0.537 410 A N 0.602 123.320 122.820 -0.169 0.000 2.301 410 A HA 0.690 4.988 4.320 -0.037 0.000 0.312 410 A C -0.839 176.740 177.584 -0.008 0.000 1.182 410 A CA -0.490 51.487 52.037 -0.099 0.000 0.826 410 A CB -0.139 18.753 19.000 -0.180 0.000 1.134 410 A HN 0.870 nan 8.150 nan 0.000 0.501 411 F N 5.823 125.738 119.950 -0.059 0.000 2.438 411 F HA 0.403 4.906 4.527 -0.040 0.000 0.360 411 F C -1.650 174.172 175.800 0.036 0.000 1.118 411 F CA -2.598 55.383 58.000 -0.030 0.000 1.164 411 F CB 0.584 39.566 39.000 -0.030 0.000 1.131 411 F HN 0.399 nan 8.300 nan 0.000 0.527 412 P HA -0.026 nan 4.420 nan 0.000 0.267 412 P C 0.191 177.231 177.300 -0.433 0.000 1.200 412 P CA 0.173 63.105 63.100 -0.279 0.000 0.772 412 P CB 0.821 32.384 31.700 -0.228 0.000 0.855 413 E N 2.110 122.208 120.200 -0.170 0.000 2.058 413 E HA -0.141 4.187 4.350 -0.037 0.000 0.194 413 E C 2.052 178.568 176.600 -0.139 0.000 0.997 413 E CA 1.623 57.954 56.400 -0.114 0.000 0.801 413 E CB -0.613 29.052 29.700 -0.058 0.000 0.746 413 E HN 0.710 nan 8.360 nan 0.000 0.450 414 G N 0.450 109.166 108.800 -0.141 0.000 2.776 414 G HA2 0.222 4.160 3.960 -0.037 0.000 0.209 414 G HA3 0.222 4.160 3.960 -0.037 0.000 0.209 414 G C 0.649 175.470 174.900 -0.132 0.000 1.145 414 G CA 0.341 45.380 45.100 -0.102 0.000 0.791 414 G HN 0.492 nan 8.290 nan 0.000 0.530 415 G N -1.490 107.120 108.800 -0.317 0.000 2.757 415 G HA2 0.225 4.163 3.960 -0.037 0.000 0.638 415 G HA3 0.225 4.163 3.960 -0.037 0.000 0.638 415 G C -0.373 174.364 174.900 -0.272 0.000 1.344 415 G CA 0.031 44.944 45.100 -0.310 0.000 0.855 415 G HN 1.300 nan 8.290 nan 0.000 0.537 416 S N -1.320 114.342 115.700 -0.064 0.000 2.537 416 S HA 0.605 5.053 4.470 -0.037 0.000 0.270 416 S C -0.166 174.456 174.600 0.036 0.000 1.142 416 S CA 0.328 58.505 58.200 -0.039 0.000 0.870 416 S CB 1.853 65.002 63.200 -0.084 0.000 1.112 416 S HN 0.595 nan 8.310 nan 0.000 0.466 417 D N 2.264 122.667 120.400 0.004 0.000 2.350 417 D HA 0.201 4.819 4.640 -0.037 0.000 0.213 417 D C 0.385 176.680 176.300 -0.009 0.000 1.031 417 D CA 0.568 54.600 54.000 0.053 0.000 0.861 417 D CB 0.051 40.891 40.800 0.066 0.000 0.926 417 D HN 0.622 nan 8.370 nan 0.000 0.520 418 N N -0.697 117.851 118.700 -0.254 0.000 2.160 418 N HA 0.241 4.959 4.740 -0.037 0.000 0.226 418 N C -0.311 174.522 175.510 -1.128 0.000 1.256 418 N CA -0.026 52.666 53.050 -0.597 0.000 0.890 418 N CB 1.734 40.115 38.487 -0.177 0.000 1.116 418 N HN -0.004 nan 8.380 nan 0.000 0.517 419 I N -0.098 119.997 120.570 -0.791 0.000 2.686 419 I HA 0.373 4.520 4.170 -0.037 0.000 0.295 419 I C -0.582 175.519 176.117 -0.027 0.000 1.114 419 I CA -0.796 60.276 61.300 -0.380 0.000 1.038 419 I CB 2.257 40.253 38.000 -0.008 0.000 1.238 419 I HN -0.147 nan 8.210 nan 0.000 0.420 420 S N 3.250 119.058 115.700 0.179 0.000 2.565 420 S HA 0.340 4.788 4.470 -0.037 0.000 0.290 420 S C -0.564 173.977 174.600 -0.100 0.000 1.150 420 S CA -0.524 57.793 58.200 0.194 0.000 1.058 420 S CB 1.735 65.137 63.200 0.338 0.000 1.032 420 S HN 0.570 nan 8.310 nan 0.000 0.510 421 Q N 2.267 121.807 119.800 -0.435 0.000 2.257 421 Q HA 0.437 4.754 4.340 -0.037 0.000 0.255 421 Q C -0.176 175.626 176.000 -0.330 0.000 0.920 421 Q CA -0.391 54.995 55.803 -0.695 0.000 0.927 421 Q CB 0.573 28.512 28.738 -1.332 0.000 1.229 421 Q HN 0.720 nan 8.270 nan 0.000 0.433 422 L N 2.009 123.057 121.223 -0.291 0.000 2.609 422 L HA 0.554 4.872 4.340 -0.037 0.000 0.230 422 L C 0.317 177.051 176.870 -0.227 0.000 1.087 422 L CA 0.126 54.827 54.840 -0.232 0.000 0.874 422 L CB 0.654 42.509 42.059 -0.340 0.000 1.114 422 L HN 0.685 nan 8.230 nan 0.000 0.488 423 A N -0.815 121.855 122.820 -0.250 0.000 2.511 423 A HA 0.614 4.912 4.320 -0.037 0.000 0.293 423 A C -2.788 174.732 177.584 -0.106 0.000 1.098 423 A CA -0.826 51.125 52.037 -0.143 0.000 0.643 423 A CB 0.224 19.130 19.000 -0.156 0.000 1.302 423 A HN -0.225 nan 8.150 nan 0.000 0.446 424 P HA 0.344 nan 4.420 nan 0.000 0.265 424 P C 0.909 178.227 177.300 0.031 0.000 1.222 424 P CA 2.170 65.275 63.100 0.008 0.000 0.767 424 P CB 0.444 32.161 31.700 0.029 0.000 0.801 425 G N 2.433 111.286 108.800 0.087 0.000 2.184 425 G HA2 -0.268 3.669 3.960 -0.037 0.000 0.264 425 G HA3 -0.268 3.669 3.960 -0.037 0.000 0.264 425 G C -0.186 174.774 174.900 0.101 0.000 0.975 425 G CA -0.194 44.987 45.100 0.134 0.000 0.642 425 G HN 0.550 nan 8.290 nan 0.000 0.536 426 L N 1.799 123.019 121.223 -0.006 0.000 2.272 426 L HA 0.804 5.122 4.340 -0.037 0.000 0.289 426 L C 0.774 177.574 176.870 -0.116 0.000 1.032 426 L CA 0.046 54.816 54.840 -0.117 0.000 0.810 426 L CB 1.070 42.937 42.059 -0.319 0.000 1.205 426 L HN 0.350 nan 8.230 nan 0.000 0.422 427 G N 3.275 112.060 108.800 -0.025 0.000 2.601 427 G HA2 0.813 4.751 3.960 -0.037 0.000 0.317 427 G HA3 0.813 4.751 3.960 -0.037 0.000 0.317 427 G C -1.544 173.344 174.900 -0.020 0.000 1.246 427 G CA -0.260 44.862 45.100 0.038 0.000 1.012 427 G HN 1.031 nan 8.290 nan 0.000 0.494 428 A N 0.382 123.245 122.820 0.073 0.000 2.541 428 A HA 0.692 4.989 4.320 -0.037 0.000 0.285 428 A C -3.029 174.707 177.584 0.254 0.000 1.058 428 A CA -0.945 51.185 52.037 0.155 0.000 0.886 428 A CB 1.570 20.667 19.000 0.161 0.000 1.411 428 A HN 0.398 nan 8.150 nan 0.000 0.403 429 P HA 0.319 nan 4.420 nan 0.000 0.269 429 P C -0.378 177.256 177.300 0.557 0.000 1.209 429 P CA 0.065 63.330 63.100 0.274 0.000 0.776 429 P CB 0.217 32.090 31.700 0.288 0.000 0.876 430 F N 2.909 123.031 119.950 0.286 0.000 2.471 430 F HA 0.235 4.741 4.527 -0.035 0.000 0.353 430 F C 1.539 177.400 175.800 0.101 0.000 1.113 430 F CA 0.433 58.537 58.000 0.175 0.000 1.262 430 F CB -0.506 38.568 39.000 0.124 0.000 1.146 430 F HN 0.482 nan 8.300 nan 0.000 0.578 431 H N 0.228 119.235 119.070 -0.106 0.000 2.948 431 H HA 0.513 5.048 4.556 -0.036 0.000 0.315 431 H C -1.771 173.312 175.328 -0.410 0.000 1.360 431 H CA -1.124 54.673 56.048 -0.419 0.000 1.125 431 H CB 1.383 30.574 29.762 -0.952 0.000 1.844 431 H HN 0.581 nan 8.280 nan 0.000 0.529 432 Q N 0.177 119.705 119.800 -0.454 0.000 2.433 432 Q HA 0.380 4.697 4.340 -0.037 0.000 0.279 432 Q C -0.979 174.707 176.000 -0.522 0.000 1.105 432 Q CA -0.947 54.593 55.803 -0.440 0.000 0.815 432 Q CB 2.869 31.415 28.738 -0.321 0.000 1.403 432 Q HN 0.563 nan 8.270 nan 0.000 0.435 433 H N 1.517 120.349 119.070 -0.397 0.000 2.786 433 H HA 0.410 4.944 4.556 -0.037 0.000 0.284 433 H C -0.782 174.230 175.328 -0.527 0.000 1.104 433 H CA -0.227 55.553 56.048 -0.447 0.000 1.339 433 H CB 0.641 30.211 29.762 -0.320 0.000 1.427 433 H HN 0.420 nan 8.280 nan 0.000 0.497 434 I N 3.610 123.863 120.570 -0.529 0.000 2.377 434 I HA 0.232 4.380 4.170 -0.037 0.000 0.293 434 I C -0.463 175.247 176.117 -0.678 0.000 0.987 434 I CA -0.530 60.491 61.300 -0.465 0.000 1.185 434 I CB 0.947 38.748 38.000 -0.332 0.000 1.341 434 I HN 0.226 nan 8.210 nan 0.000 0.455 435 F N 3.242 122.921 119.950 -0.450 0.000 2.507 435 F HA 0.516 5.021 4.527 -0.037 0.000 0.327 435 F C 0.425 175.976 175.800 -0.414 0.000 1.068 435 F CA -0.741 56.926 58.000 -0.554 0.000 0.965 435 F CB 1.969 40.318 39.000 -1.086 0.000 1.192 435 F HN 0.254 nan 8.300 nan 0.000 0.476 436 S N 1.657 117.370 115.700 0.022 0.000 2.756 436 S HA 0.791 5.239 4.470 -0.037 0.000 0.303 436 S C -0.948 173.735 174.600 0.139 0.000 1.135 436 S CA -0.492 57.769 58.200 0.100 0.000 1.066 436 S CB 0.484 63.593 63.200 -0.151 0.000 1.008 436 S HN 0.847 nan 8.310 nan 0.000 0.482 437 A N 4.650 127.613 122.820 0.239 0.000 2.290 437 A HA 0.676 4.974 4.320 -0.037 0.000 0.310 437 A C 0.095 177.723 177.584 0.074 0.000 1.202 437 A CA -0.717 51.436 52.037 0.194 0.000 0.837 437 A CB 0.535 19.683 19.000 0.247 0.000 1.139 437 A HN 0.855 nan 8.150 nan 0.000 0.509 438 R N 2.818 123.291 120.500 -0.045 0.000 2.215 438 R HA 0.489 4.806 4.340 -0.037 0.000 0.336 438 R C -1.709 174.418 176.300 -0.288 0.000 0.996 438 R CA -0.583 55.300 56.100 -0.360 0.000 0.847 438 R CB 0.404 30.394 30.300 -0.516 0.000 1.127 438 R HN 0.509 nan 8.270 nan 0.000 0.465 439 L N 4.545 125.578 121.223 -0.317 0.000 2.301 439 L HA 0.242 4.560 4.340 -0.037 0.000 0.278 439 L C -0.560 176.178 176.870 -0.220 0.000 1.022 439 L CA -0.533 54.190 54.840 -0.194 0.000 0.854 439 L CB 1.175 43.175 42.059 -0.099 0.000 1.226 439 L HN 0.541 nan 8.230 nan 0.000 0.429 440 D N 4.276 124.563 120.400 -0.188 0.000 2.374 440 D HA 0.190 4.808 4.640 -0.037 0.000 0.240 440 D C -0.085 176.165 176.300 -0.084 0.000 1.229 440 D CA -0.272 53.660 54.000 -0.113 0.000 0.895 440 D CB 0.549 41.308 40.800 -0.069 0.000 1.046 440 D HN 0.131 nan 8.370 nan 0.000 0.498 441 M N 2.468 122.032 119.600 -0.061 0.000 2.233 441 M HA 0.377 4.835 4.480 -0.037 0.000 0.350 441 M C 0.304 176.538 176.300 -0.111 0.000 1.176 441 M CA -0.508 54.746 55.300 -0.077 0.000 1.150 441 M CB 0.848 33.423 32.600 -0.043 0.000 1.530 441 M HN 0.472 nan 8.290 nan 0.000 0.459 442 A N 4.223 126.912 122.820 -0.219 0.000 3.292 442 A HA 0.385 4.683 4.320 -0.037 0.000 0.231 442 A C -0.247 177.166 177.584 -0.285 0.000 0.952 442 A CA -0.514 51.267 52.037 -0.426 0.000 1.044 442 A CB 0.110 18.736 19.000 -0.624 0.000 1.236 442 A HN 0.629 nan 8.150 nan 0.000 0.525 443 I N 1.692 122.169 120.570 -0.155 0.000 2.705 443 I HA 0.031 4.179 4.170 -0.037 0.000 0.291 443 I C 0.436 176.571 176.117 0.030 0.000 1.146 443 I CA 0.881 62.164 61.300 -0.029 0.000 1.383 443 I CB -1.154 36.874 38.000 0.046 0.000 1.454 443 I HN 0.500 nan 8.210 nan 0.000 0.581 444 D N 4.850 125.290 120.400 0.066 0.000 2.837 444 D HA -0.150 4.468 4.640 -0.037 0.000 0.230 444 D C 0.617 176.862 176.300 -0.090 0.000 1.152 444 D CA 1.638 55.639 54.000 0.001 0.000 0.736 444 D CB -0.696 40.084 40.800 -0.033 0.000 1.084 444 D HN 1.095 nan 8.370 nan 0.000 0.429 445 G N -2.073 106.600 108.800 -0.211 0.000 2.343 445 G HA2 -0.033 3.905 3.960 -0.037 0.000 0.562 445 G HA3 -0.033 3.905 3.960 -0.037 0.000 0.562 445 G C 0.090 174.735 174.900 -0.424 0.000 1.269 445 G CA -0.384 44.537 45.100 -0.298 0.000 1.011 445 G HN 0.099 nan 8.290 nan 0.000 0.498 446 F N 0.892 120.830 119.950 -0.020 0.000 2.727 446 F HA 0.279 4.783 4.527 -0.037 0.000 0.302 446 F C 1.839 177.634 175.800 -0.010 0.000 1.097 446 F CA 0.751 58.733 58.000 -0.030 0.000 1.330 446 F CB 0.782 39.748 39.000 -0.056 0.000 1.084 446 F HN 0.274 nan 8.300 nan 0.000 0.578 447 T N 1.670 116.293 114.554 0.115 0.000 3.162 447 T HA 0.230 4.558 4.350 -0.037 0.000 0.316 447 T C -0.110 174.627 174.700 0.061 0.000 1.182 447 T CA -0.338 61.813 62.100 0.086 0.000 1.015 447 T CB -0.386 68.519 68.868 0.061 0.000 1.089 447 T HN -0.044 nan 8.240 nan 0.000 0.646 448 N N 2.672 121.415 118.700 0.071 0.000 2.402 448 N HA 0.633 5.351 4.740 -0.037 0.000 0.294 448 N C -0.270 175.282 175.510 0.070 0.000 1.203 448 N CA -0.990 52.097 53.050 0.061 0.000 0.838 448 N CB 2.038 40.556 38.487 0.051 0.000 1.306 448 N HN 0.567 nan 8.380 nan 0.000 0.510 449 R N -1.003 119.540 120.500 0.071 0.000 2.739 449 R HA 0.653 4.971 4.340 -0.037 0.000 0.271 449 R C -2.008 174.344 176.300 0.086 0.000 1.010 449 R CA -0.663 55.483 56.100 0.076 0.000 0.897 449 R CB 0.704 31.045 30.300 0.068 0.000 1.236 449 R HN 0.223 nan 8.270 nan 0.000 0.466 450 V N 1.845 121.817 119.914 0.096 0.000 2.448 450 V HA 0.398 4.495 4.120 -0.037 0.000 0.295 450 V C -0.498 175.678 176.094 0.137 0.000 1.025 450 V CA -0.713 61.660 62.300 0.121 0.000 0.859 450 V CB 1.588 33.483 31.823 0.119 0.000 0.988 450 V HN 0.767 nan 8.190 nan 0.000 0.431 451 E N 2.939 123.228 120.200 0.148 0.000 2.187 451 E HA 0.445 4.773 4.350 -0.037 0.000 0.268 451 E C -0.798 175.899 176.600 0.162 0.000 0.896 451 E CA -0.639 55.838 56.400 0.128 0.000 0.766 451 E CB 2.737 32.483 29.700 0.078 0.000 1.142 451 E HN 0.726 nan 8.360 nan 0.000 0.408 452 E N 2.980 123.268 120.200 0.146 0.000 2.130 452 E HA 0.057 4.385 4.350 -0.037 0.000 0.284 452 E C -0.960 175.581 176.600 -0.100 0.000 1.018 452 E CA -0.293 56.128 56.400 0.036 0.000 0.817 452 E CB 0.862 30.653 29.700 0.151 0.000 1.078 452 E HN 0.434 nan 8.360 nan 0.000 0.396 453 E N 4.443 124.512 120.200 -0.220 0.000 2.134 453 E HA 0.152 4.479 4.350 -0.037 0.000 0.278 453 E C -1.168 175.314 176.600 -0.197 0.000 0.959 453 E CA -0.739 55.564 56.400 -0.161 0.000 0.783 453 E CB 0.866 30.490 29.700 -0.127 0.000 1.095 453 E HN 0.407 nan 8.360 nan 0.000 0.399 454 D N 2.707 123.036 120.400 -0.119 0.000 2.252 454 D HA 0.261 4.879 4.640 -0.037 0.000 0.245 454 D C -0.615 175.655 176.300 -0.050 0.000 1.009 454 D CA -0.542 53.398 54.000 -0.100 0.000 0.870 454 D CB 2.162 42.919 40.800 -0.071 0.000 1.251 454 D HN 0.173 nan 8.370 nan 0.000 0.460 455 V N 1.464 121.351 119.914 -0.046 0.000 2.686 455 V HA 0.275 4.373 4.120 -0.037 0.000 0.295 455 V C 0.106 176.203 176.094 0.006 0.000 1.055 455 V CA -0.304 61.991 62.300 -0.007 0.000 1.050 455 V CB 1.669 33.462 31.823 -0.050 0.000 0.984 455 V HN 0.343 nan 8.190 nan 0.000 0.482 456 V N 6.877 126.823 119.914 0.053 0.000 2.588 456 V HA 0.603 4.701 4.120 -0.037 0.000 0.304 456 V C -0.159 175.984 176.094 0.082 0.000 1.042 456 V CA -0.788 61.540 62.300 0.047 0.000 0.877 456 V CB 1.767 33.613 31.823 0.038 0.000 0.996 456 V HN 0.910 nan 8.190 nan 0.000 0.425 457 R N 5.000 125.530 120.500 0.051 0.000 2.404 457 R HA 0.547 4.865 4.340 -0.037 0.000 0.291 457 R C -0.714 175.621 176.300 0.060 0.000 1.025 457 R CA -0.485 55.653 56.100 0.063 0.000 0.991 457 R CB 1.332 31.645 30.300 0.022 0.000 1.053 457 R HN 0.751 nan 8.270 nan 0.000 0.479 458 Q N 1.101 120.946 119.800 0.074 0.000 2.312 458 Q HA 0.218 4.536 4.340 -0.037 0.000 0.263 458 Q C -0.339 175.684 176.000 0.037 0.000 0.995 458 Q CA -0.771 55.062 55.803 0.049 0.000 0.853 458 Q CB 2.210 30.976 28.738 0.047 0.000 1.300 458 Q HN 0.614 nan 8.270 nan 0.000 0.448 459 T N -0.645 113.923 114.554 0.025 0.000 2.884 459 T HA 0.298 4.626 4.350 -0.037 0.000 0.298 459 T C 0.258 174.969 174.700 0.017 0.000 0.998 459 T CA -0.690 61.421 62.100 0.019 0.000 1.124 459 T CB 0.621 69.497 68.868 0.013 0.000 0.931 459 T HN 0.629 nan 8.240 nan 0.000 0.531 460 M N 3.377 122.987 119.600 0.016 0.000 2.252 460 M HA 0.416 4.873 4.480 -0.037 0.000 0.348 460 M C 0.802 177.107 176.300 0.009 0.000 1.334 460 M CA 1.340 56.648 55.300 0.013 0.000 1.071 460 M CB -0.546 32.061 32.600 0.012 0.000 1.763 460 M HN 1.124 nan 8.290 nan 0.000 0.452 461 G N 4.385 113.189 108.800 0.007 0.000 2.229 461 G HA2 0.042 3.980 3.960 -0.037 0.000 0.089 461 G HA3 0.042 3.980 3.960 -0.037 0.000 0.089 461 G C -2.612 172.289 174.900 0.002 0.000 0.832 461 G CA -0.145 44.958 45.100 0.004 0.000 1.234 461 G HN 0.474 nan 8.290 nan 0.000 0.466 462 P HA 0.129 nan 4.420 nan 0.000 0.209 462 P C 2.019 179.317 177.300 -0.003 0.000 1.203 462 P CA 2.298 65.398 63.100 -0.001 0.000 0.916 462 P CB -0.306 31.394 31.700 -0.000 0.000 0.763 463 G N -1.251 107.546 108.800 -0.004 0.000 2.394 463 G HA2 -0.122 3.816 3.960 -0.037 0.000 0.214 463 G HA3 -0.122 3.816 3.960 -0.037 0.000 0.214 463 G C 0.766 175.661 174.900 -0.009 0.000 1.176 463 G CA 0.256 45.351 45.100 -0.008 0.000 0.786 463 G HN 0.276 nan 8.290 nan 0.000 0.533 464 N N 0.627 119.325 118.700 -0.005 0.000 2.503 464 N HA 0.354 5.072 4.740 -0.037 0.000 0.267 464 N C -0.944 174.566 175.510 -0.000 0.000 1.214 464 N CA 0.075 53.124 53.050 -0.002 0.000 0.959 464 N CB 0.521 39.012 38.487 0.007 0.000 1.142 464 N HN 0.128 nan 8.380 nan 0.000 0.455 465 E N 1.644 121.845 120.200 0.001 0.000 2.378 465 E HA 0.196 4.524 4.350 -0.037 0.000 0.283 465 E C -0.296 176.306 176.600 0.003 0.000 0.979 465 E CA -0.473 55.928 56.400 0.001 0.000 0.795 465 E CB 1.880 31.579 29.700 -0.001 0.000 1.221 465 E HN 0.709 nan 8.360 nan 0.000 0.428 466 R N 0.228 120.731 120.500 0.006 0.000 3.621 466 R HA -0.200 4.118 4.340 -0.037 0.000 0.410 466 R C 0.883 177.192 176.300 0.014 0.000 0.541 466 R CA 1.107 57.212 56.100 0.008 0.000 1.518 466 R CB -1.667 28.637 30.300 0.006 0.000 2.022 466 R HN 1.072 nan 8.270 nan 0.000 0.356 467 G N 1.609 110.418 108.800 0.015 0.000 2.371 467 G HA2 -0.343 3.595 3.960 -0.037 0.000 0.299 467 G HA3 -0.343 3.595 3.960 -0.037 0.000 0.299 467 G C 0.239 175.162 174.900 0.039 0.000 1.014 467 G CA 1.238 46.352 45.100 0.024 0.000 1.097 467 G HN 0.860 nan 8.290 nan 0.000 0.512 468 N N -1.023 117.700 118.700 0.039 0.000 2.294 468 N HA 0.497 5.214 4.740 -0.037 0.000 0.186 468 N C 1.238 176.797 175.510 0.081 0.000 1.107 468 N CA 0.450 53.537 53.050 0.063 0.000 0.884 468 N CB 0.447 38.957 38.487 0.038 0.000 1.030 468 N HN 0.796 nan 8.380 nan 0.000 0.482 469 A N 0.733 123.572 122.820 0.031 0.000 2.445 469 A HA 0.463 4.761 4.320 -0.037 0.000 0.242 469 A C -0.579 177.059 177.584 0.090 0.000 1.075 469 A CA -0.210 51.813 52.037 -0.024 0.000 0.777 469 A CB -0.251 18.723 19.000 -0.043 0.000 1.013 469 A HN 0.488 nan 8.150 nan 0.000 0.493 470 F N 0.001 119.944 119.950 -0.010 0.000 2.641 470 F HA 0.786 5.291 4.527 -0.037 0.000 0.308 470 F C -0.335 175.458 175.800 -0.013 0.000 1.105 470 F CA -0.559 57.434 58.000 -0.012 0.000 0.964 470 F CB 0.888 39.880 39.000 -0.013 0.000 1.294 470 F HN 0.566 nan 8.300 nan 0.000 0.442 471 S N 0.814 116.653 115.700 0.232 0.000 3.081 471 S HA 0.911 5.358 4.470 -0.037 0.000 0.316 471 S C -1.501 173.194 174.600 0.157 0.000 1.089 471 S CA -0.925 57.341 58.200 0.110 0.000 0.897 471 S CB 1.359 64.579 63.200 0.033 0.000 1.358 471 S HN 0.976 nan 8.310 nan 0.000 0.678 472 R N 0.745 121.288 120.500 0.073 0.000 2.584 472 R HA 0.637 4.955 4.340 -0.037 0.000 0.276 472 R C -1.482 174.830 176.300 0.019 0.000 1.046 472 R CA -0.943 55.185 56.100 0.047 0.000 0.906 472 R CB 1.344 31.669 30.300 0.042 0.000 1.215 472 R HN 0.437 nan 8.270 nan 0.000 0.449 473 K N 1.893 122.296 120.400 0.005 0.000 2.203 473 K HA 0.516 4.814 4.320 -0.037 0.000 0.251 473 K C -0.891 175.703 176.600 -0.010 0.000 0.944 473 K CA -1.012 55.275 56.287 -0.000 0.000 0.829 473 K CB 1.510 34.010 32.500 -0.000 0.000 1.125 473 K HN 0.672 nan 8.250 nan 0.000 0.430 474 R N 2.030 122.529 120.500 -0.001 0.000 2.507 474 R HA 0.186 4.504 4.340 -0.037 0.000 0.298 474 R C -1.143 175.168 176.300 0.018 0.000 1.087 474 R CA -0.629 55.472 56.100 0.003 0.000 0.917 474 R CB 1.911 32.216 30.300 0.008 0.000 1.173 474 R HN 0.780 nan 8.270 nan 0.000 0.472 475 T N -0.891 113.678 114.554 0.026 0.000 2.824 475 T HA 0.457 4.785 4.350 -0.037 0.000 0.280 475 T C 0.364 175.099 174.700 0.059 0.000 0.995 475 T CA -0.681 61.442 62.100 0.039 0.000 1.009 475 T CB 1.552 70.443 68.868 0.038 0.000 0.955 475 T HN 0.089 nan 8.240 nan 0.000 0.452 476 V N 4.201 124.149 119.914 0.056 0.000 2.649 476 V HA 0.329 4.427 4.120 -0.037 0.000 0.292 476 V C 0.406 176.543 176.094 0.071 0.000 1.055 476 V CA -0.891 61.449 62.300 0.067 0.000 1.023 476 V CB 0.672 32.528 31.823 0.055 0.000 0.992 476 V HN 0.816 nan 8.190 nan 0.000 0.480 477 L N 4.561 125.835 121.223 0.084 0.000 2.255 477 L HA 0.338 4.656 4.340 -0.037 0.000 0.289 477 L C 1.346 178.259 176.870 0.072 0.000 1.046 477 L CA -0.124 54.764 54.840 0.080 0.000 0.816 477 L CB 1.277 43.391 42.059 0.093 0.000 1.197 477 L HN 0.957 nan 8.230 nan 0.000 0.427 478 T N -0.512 114.079 114.554 0.062 0.000 3.033 478 T HA 0.188 4.516 4.350 -0.037 0.000 0.248 478 T C 0.948 175.683 174.700 0.059 0.000 1.040 478 T CA -0.047 62.088 62.100 0.057 0.000 1.133 478 T CB 0.314 69.210 68.868 0.048 0.000 0.895 478 T HN 0.375 nan 8.240 nan 0.000 0.465 479 R N 0.943 121.478 120.500 0.058 0.000 2.711 479 R HA 0.454 4.772 4.340 -0.037 0.000 0.284 479 R C 0.532 176.874 176.300 0.070 0.000 0.968 479 R CA -0.580 55.556 56.100 0.059 0.000 0.924 479 R CB 1.625 31.954 30.300 0.049 0.000 1.162 479 R HN 0.238 nan 8.270 nan 0.000 0.465 480 E N 0.720 120.968 120.200 0.081 0.000 2.171 480 E HA -0.194 4.134 4.350 -0.037 0.000 0.197 480 E C 1.427 178.081 176.600 0.090 0.000 0.997 480 E CA 2.018 58.478 56.400 0.101 0.000 0.810 480 E CB 0.135 29.903 29.700 0.113 0.000 0.738 480 E HN 0.608 nan 8.360 nan 0.000 0.467 481 S N 0.703 116.445 115.700 0.069 0.000 2.507 481 S HA -0.139 4.309 4.470 -0.037 0.000 0.235 481 S C 1.428 176.049 174.600 0.035 0.000 0.988 481 S CA 1.059 59.292 58.200 0.054 0.000 0.944 481 S CB -0.193 63.034 63.200 0.045 0.000 0.762 481 S HN 0.434 nan 8.310 nan 0.000 0.526 482 E N -0.026 120.196 120.200 0.036 0.000 2.660 482 E HA 0.505 4.833 4.350 -0.037 0.000 0.216 482 E C 0.866 177.478 176.600 0.020 0.000 0.986 482 E CA 0.150 56.564 56.400 0.023 0.000 1.037 482 E CB 0.385 30.104 29.700 0.032 0.000 1.041 482 E HN 0.454 nan 8.360 nan 0.000 0.480 483 A N 0.983 123.819 122.820 0.026 0.000 2.415 483 A HA 0.297 4.595 4.320 -0.037 0.000 0.248 483 A C 0.364 177.909 177.584 -0.064 0.000 1.299 483 A CA -0.189 51.861 52.037 0.023 0.000 0.899 483 A CB 0.218 19.269 19.000 0.085 0.000 0.997 483 A HN 0.112 nan 8.150 nan 0.000 0.506 484 V N 2.901 122.720 119.914 -0.158 0.000 2.318 484 V HA 0.387 4.485 4.120 -0.037 0.000 0.271 484 V C -0.401 175.491 176.094 -0.338 0.000 1.030 484 V CA -0.659 61.374 62.300 -0.446 0.000 0.844 484 V CB 0.428 31.934 31.823 -0.528 0.000 1.015 484 V HN 0.445 nan 8.190 nan 0.000 0.460 485 R N 3.309 123.599 120.500 -0.349 0.000 2.778 485 R HA 0.706 5.023 4.340 -0.037 0.000 0.277 485 R C -0.509 175.730 176.300 -0.102 0.000 0.977 485 R CA -0.772 55.247 56.100 -0.135 0.000 0.950 485 R CB 1.864 32.178 30.300 0.024 0.000 1.165 485 R HN 0.640 nan 8.270 nan 0.000 0.474 486 E N 0.451 120.685 120.200 0.056 0.000 2.207 486 E HA 0.574 4.902 4.350 -0.037 0.000 0.270 486 E C -0.580 176.180 176.600 0.267 0.000 0.927 486 E CA -0.843 55.619 56.400 0.103 0.000 0.799 486 E CB 2.192 31.922 29.700 0.049 0.000 1.172 486 E HN 0.651 nan 8.360 nan 0.000 0.404 487 A N 1.851 124.839 122.820 0.281 0.000 2.346 487 A HA 0.270 4.568 4.320 -0.037 0.000 0.252 487 A C -0.246 177.426 177.584 0.146 0.000 1.089 487 A CA 0.026 52.251 52.037 0.313 0.000 0.797 487 A CB 0.421 19.611 19.000 0.317 0.000 1.047 487 A HN 0.605 nan 8.150 nan 0.000 0.494 488 D N -0.335 120.108 120.400 0.072 0.000 2.584 488 D HA 0.392 5.010 4.640 -0.037 0.000 0.238 488 D C 0.603 176.898 176.300 -0.007 0.000 1.302 488 D CA 0.278 54.292 54.000 0.023 0.000 0.884 488 D CB 0.647 41.446 40.800 -0.002 0.000 1.456 488 D HN 0.482 nan 8.370 nan 0.000 0.528 489 A N 2.907 125.738 122.820 0.019 0.000 2.019 489 A HA -0.170 4.128 4.320 -0.037 0.000 0.219 489 A C 2.001 179.575 177.584 -0.017 0.000 1.164 489 A CA 1.083 53.124 52.037 0.007 0.000 0.644 489 A CB -0.129 18.889 19.000 0.029 0.000 0.805 489 A HN 0.522 nan 8.150 nan 0.000 0.449 490 R N -0.504 119.986 120.500 -0.016 0.000 2.096 490 R HA -0.093 4.225 4.340 -0.037 0.000 0.235 490 R C 1.796 178.068 176.300 -0.046 0.000 1.127 490 R CA 1.740 57.823 56.100 -0.028 0.000 0.968 490 R CB -0.571 29.717 30.300 -0.020 0.000 0.861 490 R HN 0.686 nan 8.270 nan 0.000 0.440 491 T N -3.230 111.294 114.554 -0.050 0.000 3.145 491 T HA 0.249 4.577 4.350 -0.037 0.000 0.255 491 T C 1.126 175.777 174.700 -0.081 0.000 1.039 491 T CA 0.194 62.256 62.100 -0.063 0.000 0.928 491 T CB 0.911 69.746 68.868 -0.055 0.000 1.029 491 T HN 0.366 nan 8.240 nan 0.000 0.554 492 G N 2.454 111.207 108.800 -0.078 0.000 2.249 492 G HA2 -0.347 3.590 3.960 -0.037 0.000 0.273 492 G HA3 -0.347 3.590 3.960 -0.037 0.000 0.273 492 G C 0.073 174.887 174.900 -0.143 0.000 1.036 492 G CA 0.173 45.223 45.100 -0.083 0.000 0.824 492 G HN 0.902 nan 8.290 nan 0.000 0.504 493 R N 0.714 121.093 120.500 -0.202 0.000 2.504 493 R HA 0.350 4.668 4.340 -0.037 0.000 0.291 493 R C 0.833 176.741 176.300 -0.652 0.000 0.974 493 R CA 1.289 57.147 56.100 -0.404 0.000 1.077 493 R CB 0.076 30.138 30.300 -0.397 0.000 0.926 493 R HN 0.522 nan 8.270 nan 0.000 0.407 494 T N 1.015 115.098 114.554 -0.786 0.000 2.838 494 T HA 0.547 4.875 4.350 -0.037 0.000 0.292 494 T C -1.023 173.129 174.700 -0.914 0.000 1.113 494 T CA -0.990 60.631 62.100 -0.798 0.000 1.008 494 T CB 1.258 69.886 68.868 -0.401 0.000 1.259 494 T HN 0.571 nan 8.240 nan 0.000 0.520 495 W N 0.669 121.912 121.300 -0.095 0.000 2.739 495 W HA 0.602 5.239 4.660 -0.037 0.000 0.331 495 W C -1.364 175.122 176.519 -0.055 0.000 1.049 495 W CA -1.093 56.218 57.345 -0.057 0.000 1.234 495 W CB 1.649 31.082 29.460 -0.045 0.000 1.404 495 W HN 0.537 nan 8.180 nan 0.000 0.477 496 I N 3.619 124.284 120.570 0.159 0.000 2.377 496 I HA 0.299 4.447 4.170 -0.037 0.000 0.293 496 I C -0.207 175.992 176.117 0.137 0.000 0.987 496 I CA -0.681 60.687 61.300 0.113 0.000 1.185 496 I CB 1.256 39.294 38.000 0.064 0.000 1.341 496 I HN 0.091 nan 8.210 nan 0.000 0.455 497 I N 6.092 126.743 120.570 0.135 0.000 2.328 497 I HA 0.365 4.512 4.170 -0.037 0.000 0.287 497 I C 0.183 176.373 176.117 0.121 0.000 1.012 497 I CA 0.254 61.623 61.300 0.115 0.000 1.195 497 I CB 1.020 39.075 38.000 0.091 0.000 1.350 497 I HN 0.632 nan 8.210 nan 0.000 0.464 498 S N 3.890 119.651 115.700 0.102 0.000 2.715 498 S HA 0.621 5.069 4.470 -0.037 0.000 0.307 498 S C -0.652 173.994 174.600 0.077 0.000 1.119 498 S CA -0.909 57.352 58.200 0.102 0.000 0.937 498 S CB 1.957 65.208 63.200 0.085 0.000 1.150 498 S HN 0.472 nan 8.310 nan 0.000 0.521 499 N N 1.012 119.753 118.700 0.068 0.000 2.569 499 N HA 0.453 5.171 4.740 -0.037 0.000 0.254 499 N C -2.448 173.078 175.510 0.027 0.000 1.004 499 N CA -2.295 50.781 53.050 0.042 0.000 0.904 499 N CB 1.470 39.975 38.487 0.030 0.000 1.165 499 N HN 0.221 nan 8.380 nan 0.000 0.513 500 P HA -0.041 nan 4.420 nan 0.000 0.223 500 P C 0.074 177.380 177.300 0.010 0.000 1.144 500 P CA 1.202 64.315 63.100 0.022 0.000 0.783 500 P CB 0.422 32.139 31.700 0.028 0.000 0.771 501 E N -1.717 118.488 120.200 0.007 0.000 2.481 501 E HA 0.138 4.466 4.350 -0.037 0.000 0.198 501 E C 0.225 176.815 176.600 -0.017 0.000 1.027 501 E CA 0.004 56.404 56.400 -0.001 0.000 0.900 501 E CB 0.332 30.037 29.700 0.007 0.000 0.993 501 E HN -0.001 nan 8.360 nan 0.000 0.482 502 S N 0.826 116.510 115.700 -0.027 0.000 2.478 502 S HA 0.409 4.856 4.470 -0.037 0.000 0.312 502 S C -0.870 173.690 174.600 -0.067 0.000 1.094 502 S CA -0.631 57.533 58.200 -0.060 0.000 1.081 502 S CB 0.744 63.894 63.200 -0.083 0.000 1.007 502 S HN -0.044 nan 8.310 nan 0.000 0.475 503 K N 2.390 122.744 120.400 -0.076 0.000 2.395 503 K HA 0.467 4.765 4.320 -0.037 0.000 0.247 503 K C -0.679 175.865 176.600 -0.095 0.000 0.973 503 K CA -1.065 55.180 56.287 -0.070 0.000 0.828 503 K CB 1.197 33.671 32.500 -0.043 0.000 1.272 503 K HN 0.741 nan 8.250 nan 0.000 0.439 504 N N 0.014 118.664 118.700 -0.084 0.000 2.448 504 N HA 0.113 4.831 4.740 -0.037 0.000 0.274 504 N C 0.572 176.049 175.510 -0.055 0.000 1.239 504 N CA -0.710 52.288 53.050 -0.087 0.000 0.982 504 N CB 0.334 38.777 38.487 -0.075 0.000 1.199 504 N HN 0.579 nan 8.380 nan 0.000 0.576 505 R N -0.556 119.918 120.500 -0.045 0.000 2.303 505 R HA 0.001 4.319 4.340 -0.037 0.000 0.225 505 R C 0.422 176.708 176.300 -0.024 0.000 1.114 505 R CA 1.129 57.210 56.100 -0.031 0.000 1.007 505 R CB -0.708 29.578 30.300 -0.024 0.000 0.861 505 R HN 0.564 nan 8.270 nan 0.000 0.471 506 L N 0.859 122.068 121.223 -0.023 0.000 2.628 506 L HA 0.143 4.461 4.340 -0.037 0.000 0.229 506 L C 0.261 177.121 176.870 -0.018 0.000 1.137 506 L CA -0.132 54.697 54.840 -0.017 0.000 0.909 506 L CB -0.530 41.521 42.059 -0.014 0.000 1.137 506 L HN 0.418 nan 8.230 nan 0.000 0.470 507 N N 1.940 120.627 118.700 -0.022 0.000 2.758 507 N HA -0.167 4.551 4.740 -0.037 0.000 0.248 507 N C -0.416 175.083 175.510 -0.017 0.000 1.076 507 N CA 0.530 53.568 53.050 -0.021 0.000 0.696 507 N CB -0.237 38.240 38.487 -0.016 0.000 0.979 507 N HN 0.556 nan 8.380 nan 0.000 0.550 508 E N -0.024 120.164 120.200 -0.019 0.000 2.288 508 E HA 0.410 4.738 4.350 -0.037 0.000 0.268 508 E C -2.654 173.937 176.600 -0.016 0.000 0.885 508 E CA -1.940 54.453 56.400 -0.012 0.000 0.767 508 E CB 1.622 31.318 29.700 -0.007 0.000 1.220 508 E HN 0.071 nan 8.360 nan 0.000 0.427 509 P HA -0.072 nan 4.420 nan 0.000 0.264 509 P C -0.324 176.982 177.300 0.010 0.000 1.193 509 P CA -0.105 62.996 63.100 0.002 0.000 0.763 509 P CB 0.281 31.993 31.700 0.020 0.000 0.810 510 V N 1.833 121.741 119.914 -0.009 0.000 2.843 510 V HA 0.740 4.838 4.120 -0.037 0.000 0.305 510 V C 0.612 176.807 176.094 0.168 0.000 1.065 510 V CA 0.226 62.541 62.300 0.024 0.000 1.116 510 V CB 0.353 32.083 31.823 -0.155 0.000 0.968 510 V HN 0.734 nan 8.190 nan 0.000 0.487 511 G N 2.034 110.998 108.800 0.273 0.000 2.645 511 G HA2 0.626 4.564 3.960 -0.037 0.000 0.292 511 G HA3 0.626 4.564 3.960 -0.037 0.000 0.292 511 G C -2.321 172.751 174.900 0.288 0.000 1.415 511 G CA -0.725 44.529 45.100 0.256 0.000 0.785 511 G HN 0.753 nan 8.290 nan 0.000 0.483 512 Y N -0.209 120.116 120.300 0.041 0.000 2.470 512 Y HA 0.591 5.119 4.550 -0.037 0.000 0.341 512 Y C -0.033 175.884 175.900 0.028 0.000 1.021 512 Y CA -0.826 57.279 58.100 0.008 0.000 1.025 512 Y CB 2.761 41.188 38.460 -0.055 0.000 1.266 512 Y HN 0.555 nan 8.280 nan 0.000 0.448 513 K N 3.655 124.087 120.400 0.054 0.000 2.182 513 K HA 0.598 4.896 4.320 -0.037 0.000 0.262 513 K C -1.740 174.833 176.600 -0.045 0.000 0.957 513 K CA -0.863 55.407 56.287 -0.028 0.000 0.842 513 K CB 1.100 33.517 32.500 -0.138 0.000 1.099 513 K HN 0.584 nan 8.250 nan 0.000 0.438 514 L N 4.886 126.079 121.223 -0.050 0.000 2.265 514 L HA 0.325 4.643 4.340 -0.037 0.000 0.289 514 L C -1.479 175.335 176.870 -0.095 0.000 1.033 514 L CA -0.060 54.795 54.840 0.025 0.000 0.814 514 L CB 0.577 42.696 42.059 0.100 0.000 1.203 514 L HN 0.674 nan 8.230 nan 0.000 0.423 515 H N 4.395 123.576 119.070 0.185 0.000 2.541 515 H HA 0.735 5.269 4.556 -0.037 0.000 0.316 515 H C -0.086 175.388 175.328 0.242 0.000 1.043 515 H CA -0.070 56.083 56.048 0.175 0.000 1.232 515 H CB 1.320 31.170 29.762 0.147 0.000 1.406 515 H HN 0.880 nan 8.280 nan 0.000 0.469 516 A N 2.231 125.266 122.820 0.357 0.000 2.282 516 A HA 0.223 4.521 4.320 -0.037 0.000 0.319 516 A C 0.371 178.246 177.584 0.485 0.000 1.121 516 A CA -0.617 51.678 52.037 0.431 0.000 0.836 516 A CB 0.560 19.865 19.000 0.508 0.000 1.146 516 A HN 1.014 nan 8.150 nan 0.000 0.494 517 H N 0.830 120.070 119.070 0.283 0.000 2.548 517 H HA -0.011 4.523 4.556 -0.037 0.000 0.268 517 H C -0.044 175.389 175.328 0.176 0.000 0.975 517 H CA 0.356 56.518 56.048 0.191 0.000 1.195 517 H CB 0.174 30.036 29.762 0.166 0.000 1.397 517 H HN 0.773 nan 8.280 nan 0.000 0.572 518 N N 1.588 120.496 118.700 0.348 0.000 2.741 518 N HA -0.166 4.552 4.740 -0.037 0.000 0.250 518 N C -0.462 175.166 175.510 0.197 0.000 1.115 518 N CA 0.544 53.745 53.050 0.252 0.000 0.724 518 N CB -0.839 37.756 38.487 0.181 0.000 1.090 518 N HN 0.503 nan 8.380 nan 0.000 0.558 519 Q N 0.161 120.091 119.800 0.217 0.000 2.443 519 Q HA 0.311 4.629 4.340 -0.037 0.000 0.232 519 Q C -1.774 174.294 176.000 0.114 0.000 1.026 519 Q CA -0.760 55.135 55.803 0.152 0.000 0.924 519 Q CB -0.029 28.806 28.738 0.162 0.000 1.256 519 Q HN 0.161 nan 8.270 nan 0.000 0.519 520 P HA 0.050 nan 4.420 nan 0.000 0.272 520 P C -0.169 177.143 177.300 0.020 0.000 1.223 520 P CA -0.005 63.122 63.100 0.046 0.000 0.784 520 P CB 0.496 32.213 31.700 0.028 0.000 0.923 521 T N -0.319 114.242 114.554 0.012 0.000 2.924 521 T HA 0.295 4.623 4.350 -0.037 0.000 0.301 521 T C 0.307 174.968 174.700 -0.066 0.000 1.120 521 T CA -0.774 61.312 62.100 -0.025 0.000 0.940 521 T CB -0.080 68.783 68.868 -0.008 0.000 1.591 521 T HN 0.171 nan 8.240 nan 0.000 0.578 522 L N 1.141 122.302 121.223 -0.103 0.000 2.584 522 L HA 0.189 4.507 4.340 -0.037 0.000 0.272 522 L C 0.827 177.658 176.870 -0.065 0.000 1.195 522 L CA 0.208 54.977 54.840 -0.117 0.000 0.920 522 L CB -0.402 41.565 42.059 -0.154 0.000 1.173 522 L HN 0.619 nan 8.230 nan 0.000 0.489 523 L N 4.968 126.157 121.223 -0.057 0.000 2.446 523 L HA 0.241 4.559 4.340 -0.037 0.000 0.219 523 L C 1.361 178.231 176.870 0.000 0.000 1.116 523 L CA 0.143 54.973 54.840 -0.016 0.000 0.844 523 L CB -0.547 41.510 42.059 -0.004 0.000 0.970 523 L HN 0.807 nan 8.230 nan 0.000 0.457 524 A N 1.022 123.836 122.820 -0.011 0.000 2.561 524 A HA -0.105 4.193 4.320 -0.037 0.000 0.234 524 A C 0.363 177.958 177.584 0.018 0.000 1.055 524 A CA -0.051 51.993 52.037 0.011 0.000 0.756 524 A CB -0.103 18.902 19.000 0.008 0.000 0.986 524 A HN 0.313 nan 8.150 nan 0.000 0.505 525 D N 2.524 122.943 120.400 0.032 0.000 2.525 525 D HA 0.004 4.622 4.640 -0.037 0.000 0.235 525 D C -1.360 174.956 176.300 0.026 0.000 1.137 525 D CA -0.875 53.144 54.000 0.031 0.000 0.868 525 D CB 0.735 41.558 40.800 0.039 0.000 1.180 525 D HN 0.194 nan 8.370 nan 0.000 0.465 526 P HA -0.110 nan 4.420 nan 0.000 0.216 526 P C 1.053 178.365 177.300 0.019 0.000 1.154 526 P CA 1.561 64.672 63.100 0.018 0.000 0.865 526 P CB 0.075 31.785 31.700 0.017 0.000 0.789 527 G N -1.139 107.675 108.800 0.023 0.000 2.920 527 G HA2 0.005 3.943 3.960 -0.037 0.000 0.208 527 G HA3 0.005 3.943 3.960 -0.037 0.000 0.208 527 G C 0.471 175.387 174.900 0.027 0.000 1.159 527 G CA 0.161 45.274 45.100 0.021 0.000 0.784 527 G HN 0.408 nan 8.290 nan 0.000 0.535 528 S N -0.488 115.234 115.700 0.037 0.000 2.589 528 S HA 0.244 4.692 4.470 -0.037 0.000 0.265 528 S C 1.718 176.341 174.600 0.038 0.000 1.342 528 S CA 0.518 58.752 58.200 0.057 0.000 1.005 528 S CB 1.500 64.746 63.200 0.077 0.000 0.909 528 S HN 0.142 nan 8.310 nan 0.000 0.555 529 S N 0.774 116.500 115.700 0.042 0.000 2.348 529 S HA -0.163 4.285 4.470 -0.037 0.000 0.221 529 S C 1.740 176.334 174.600 -0.009 0.000 1.033 529 S CA 1.323 59.490 58.200 -0.055 0.000 1.010 529 S CB -0.879 62.169 63.200 -0.253 0.000 0.891 529 S HN 0.731 nan 8.310 nan 0.000 0.442 530 I N 1.987 122.596 120.570 0.066 0.000 2.361 530 I HA -0.006 4.142 4.170 -0.037 0.000 0.251 530 I C 2.328 178.479 176.117 0.056 0.000 1.133 530 I CA 1.177 62.537 61.300 0.100 0.000 1.413 530 I CB -0.920 37.144 38.000 0.107 0.000 1.073 530 I HN 0.366 nan 8.210 nan 0.000 0.424 531 A N 0.574 123.411 122.820 0.028 0.000 1.877 531 A HA -0.217 4.081 4.320 -0.037 0.000 0.216 531 A C 2.442 180.034 177.584 0.013 0.000 1.186 531 A CA 1.815 53.855 52.037 0.006 0.000 0.620 531 A CB -0.612 18.394 19.000 0.010 0.000 0.822 531 A HN 0.455 nan 8.150 nan 0.000 0.443 532 R N -0.660 119.849 120.500 0.015 0.000 2.073 532 R HA -0.075 4.243 4.340 -0.037 0.000 0.234 532 R C 2.361 178.675 176.300 0.023 0.000 1.134 532 R CA 1.588 57.694 56.100 0.009 0.000 0.952 532 R CB -0.312 29.983 30.300 -0.009 0.000 0.850 532 R HN 0.470 nan 8.270 nan 0.000 0.433 533 R N 0.090 120.622 120.500 0.053 0.000 2.189 533 R HA 0.056 4.374 4.340 -0.037 0.000 0.218 533 R C 0.753 177.172 176.300 0.199 0.000 1.074 533 R CA 1.050 57.206 56.100 0.093 0.000 0.991 533 R CB 0.283 30.649 30.300 0.110 0.000 0.883 533 R HN 0.106 nan 8.270 nan 0.000 0.457 534 A N 0.043 122.979 122.820 0.193 0.000 3.105 534 A HA 0.516 4.814 4.320 -0.037 0.000 0.297 534 A C 1.003 178.534 177.584 -0.088 0.000 0.977 534 A CA -0.159 51.986 52.037 0.181 0.000 1.020 534 A CB 0.419 19.466 19.000 0.079 0.000 1.098 534 A HN 0.208 nan 8.150 nan 0.000 0.497 535 A N 0.271 123.090 122.820 -0.002 0.000 1.978 535 A HA -0.046 4.252 4.320 -0.037 0.000 0.220 535 A C 1.773 179.370 177.584 0.022 0.000 1.170 535 A CA 1.830 53.864 52.037 -0.004 0.000 0.636 535 A CB -0.956 18.043 19.000 -0.001 0.000 0.810 535 A HN 1.466 nan 8.150 nan 0.000 0.448 536 F N -0.102 119.743 119.950 -0.175 0.000 2.202 536 F HA 0.007 4.512 4.527 -0.037 0.000 0.301 536 F C 2.003 177.901 175.800 0.163 0.000 1.082 536 F CA 0.884 58.741 58.000 -0.239 0.000 1.313 536 F CB -0.836 37.896 39.000 -0.448 0.000 1.024 536 F HN 0.148 nan 8.300 nan 0.000 0.495 537 A N 0.447 122.660 122.820 -1.012 0.000 2.206 537 A HA -0.009 4.288 4.320 -0.037 0.000 0.211 537 A C 2.033 179.484 177.584 -0.221 0.000 1.158 537 A CA 1.242 52.842 52.037 -0.728 0.000 0.761 537 A CB -1.492 16.944 19.000 -0.939 0.000 0.801 537 A HN 0.567 nan 8.150 nan 0.000 0.473 538 T N -3.275 111.247 114.554 -0.053 0.000 3.129 538 T HA 0.242 4.570 4.350 -0.037 0.000 0.251 538 T C 0.404 175.122 174.700 0.030 0.000 1.117 538 T CA 0.057 62.161 62.100 0.007 0.000 1.034 538 T CB 0.018 68.909 68.868 0.037 0.000 0.968 538 T HN 0.126 nan 8.240 nan 0.000 0.526 539 K N 0.757 121.208 120.400 0.084 0.000 2.527 539 K HA 0.329 4.626 4.320 -0.037 0.000 0.260 539 K C -0.682 175.923 176.600 0.008 0.000 0.937 539 K CA -0.486 55.752 56.287 -0.081 0.000 0.826 539 K CB 2.120 34.317 32.500 -0.505 0.000 1.359 539 K HN -0.072 nan 8.250 nan 0.000 0.434 540 D N 0.295 120.677 120.400 -0.029 0.000 2.183 540 D HA -0.017 4.601 4.640 -0.037 0.000 0.203 540 D C -0.027 176.298 176.300 0.042 0.000 0.969 540 D CA 0.882 54.925 54.000 0.072 0.000 0.842 540 D CB 0.305 41.197 40.800 0.155 0.000 0.957 540 D HN 0.105 nan 8.370 nan 0.000 0.484 541 L N -0.546 120.537 121.223 -0.232 0.000 2.482 541 L HA 0.467 4.785 4.340 -0.037 0.000 0.263 541 L C -2.009 174.689 176.870 -0.286 0.000 0.957 541 L CA -0.583 54.101 54.840 -0.260 0.000 0.836 541 L CB 1.588 43.129 42.059 -0.863 0.000 1.324 541 L HN -0.113 nan 8.230 nan 0.000 0.406 542 W N 3.855 125.159 121.300 0.007 0.000 3.022 542 W HA 0.777 5.415 4.660 -0.037 0.000 0.335 542 W C -1.265 175.374 176.519 0.200 0.000 1.133 542 W CA -0.763 56.623 57.345 0.068 0.000 1.219 542 W CB 2.066 31.547 29.460 0.035 0.000 1.409 542 W HN 0.176 nan 8.180 nan 0.000 0.507 543 V N 2.567 122.715 119.914 0.391 0.000 2.588 543 V HA 0.780 4.878 4.120 -0.037 0.000 0.304 543 V C -0.192 176.115 176.094 0.354 0.000 1.042 543 V CA -0.791 61.715 62.300 0.342 0.000 0.877 543 V CB 1.703 33.630 31.823 0.172 0.000 0.996 543 V HN 0.577 nan 8.190 nan 0.000 0.425 544 T N 1.418 116.219 114.554 0.411 0.000 2.906 544 T HA 0.735 5.063 4.350 -0.037 0.000 0.295 544 T C -0.566 174.281 174.700 0.245 0.000 1.075 544 T CA -0.972 61.329 62.100 0.335 0.000 1.005 544 T CB 2.093 71.228 68.868 0.446 0.000 1.136 544 T HN 0.517 nan 8.240 nan 0.000 0.498 545 R N 0.853 121.455 120.500 0.170 0.000 2.543 545 R HA 0.346 4.664 4.340 -0.037 0.000 0.277 545 R C -0.796 175.577 176.300 0.121 0.000 1.074 545 R CA -0.696 55.485 56.100 0.135 0.000 1.076 545 R CB -0.341 30.014 30.300 0.091 0.000 0.993 545 R HN 0.770 nan 8.270 nan 0.000 0.459 546 Y N 2.891 123.205 120.300 0.023 0.000 2.497 546 Y HA 0.367 4.895 4.550 -0.037 0.000 0.334 546 Y C -0.693 175.174 175.900 -0.054 0.000 1.199 546 Y CA 0.728 58.816 58.100 -0.020 0.000 1.425 546 Y CB 0.623 39.061 38.460 -0.038 0.000 1.291 546 Y HN 0.740 nan 8.280 nan 0.000 0.562 547 A N 5.090 127.220 122.820 -1.150 0.000 2.566 547 A HA 0.256 4.554 4.320 -0.037 0.000 0.297 547 A C -0.021 176.913 177.584 -1.083 0.000 1.059 547 A CA -0.465 51.071 52.037 -0.835 0.000 0.691 547 A CB 0.835 19.566 19.000 -0.447 0.000 1.282 547 A HN 0.824 nan 8.150 nan 0.000 0.401 548 D N 1.090 121.110 120.400 -0.633 0.000 2.144 548 D HA -0.160 4.457 4.640 -0.037 0.000 0.199 548 D C 0.693 176.815 176.300 -0.296 0.000 0.984 548 D CA 1.764 55.551 54.000 -0.356 0.000 0.834 548 D CB 0.150 40.879 40.800 -0.118 0.000 0.955 548 D HN 0.803 nan 8.370 nan 0.000 0.465 549 D N 0.784 121.010 120.400 -0.290 0.000 2.340 549 D HA -0.072 4.546 4.640 -0.037 0.000 0.220 549 D C 0.084 176.187 176.300 -0.329 0.000 1.039 549 D CA 0.171 54.029 54.000 -0.236 0.000 0.866 549 D CB -0.248 40.455 40.800 -0.162 0.000 0.913 549 D HN 0.187 nan 8.370 nan 0.000 0.523 550 E N 0.886 120.801 120.200 -0.475 0.000 1.998 550 E HA 0.282 4.610 4.350 -0.037 0.000 0.257 550 E C 0.508 176.929 176.600 -0.297 0.000 1.038 550 E CA -0.251 55.759 56.400 -0.651 0.000 0.869 550 E CB 1.068 30.199 29.700 -0.949 0.000 1.135 550 E HN 0.125 nan 8.360 nan 0.000 0.430 551 R N 1.158 121.484 120.500 -0.290 0.000 2.250 551 R HA 0.124 4.442 4.340 -0.037 0.000 0.194 551 R C -0.188 175.786 176.300 -0.543 0.000 0.927 551 R CA 0.529 56.314 56.100 -0.524 0.000 1.052 551 R CB 0.615 30.331 30.300 -0.972 0.000 1.055 551 R HN 0.304 nan 8.270 nan 0.000 0.537 552 Y N -0.901 119.515 120.300 0.193 0.000 2.499 552 Y HA 0.320 4.848 4.550 -0.036 0.000 0.347 552 Y C -1.948 173.883 175.900 -0.115 0.000 0.987 552 Y CA -3.135 55.016 58.100 0.084 0.000 1.044 552 Y CB 1.303 39.712 38.460 -0.084 0.000 1.245 552 Y HN -0.176 nan 8.280 nan 0.000 0.461 553 P HA -0.083 nan 4.420 nan 0.000 0.223 553 P C 0.910 177.895 177.300 -0.525 0.000 1.151 553 P CA 1.618 64.315 63.100 -0.671 0.000 0.787 553 P CB 0.189 31.359 31.700 -0.884 0.000 0.788 554 T N -5.411 108.947 114.554 -0.327 0.000 3.054 554 T HA 0.536 4.864 4.350 -0.037 0.000 0.255 554 T C 0.918 175.437 174.700 -0.302 0.000 1.035 554 T CA 0.121 62.065 62.100 -0.260 0.000 0.941 554 T CB -0.166 68.600 68.868 -0.170 0.000 1.026 554 T HN 0.296 nan 8.240 nan 0.000 0.533 555 G N 1.223 109.904 108.800 -0.199 0.000 2.610 555 G HA2 -0.155 3.783 3.960 -0.037 0.000 0.304 555 G HA3 -0.155 3.783 3.960 -0.037 0.000 0.304 555 G C -0.273 174.542 174.900 -0.143 0.000 1.309 555 G CA -0.043 44.962 45.100 -0.159 0.000 0.906 555 G HN 0.160 nan 8.290 nan 0.000 0.521 556 D N -0.631 119.585 120.400 -0.307 0.000 2.213 556 D HA 0.091 4.709 4.640 -0.037 0.000 0.205 556 D C 0.573 176.324 176.300 -0.915 0.000 0.961 556 D CA 1.356 54.989 54.000 -0.612 0.000 0.853 556 D CB 0.128 40.418 40.800 -0.849 0.000 0.967 556 D HN 0.161 nan 8.370 nan 0.000 0.496 557 F N 0.760 120.580 119.950 -0.217 0.000 2.359 557 F HA 0.202 4.707 4.527 -0.037 0.000 0.370 557 F C 1.109 176.763 175.800 -0.243 0.000 1.077 557 F CA -0.656 57.206 58.000 -0.229 0.000 1.136 557 F CB 1.136 40.005 39.000 -0.218 0.000 1.387 557 F HN -0.350 nan 8.300 nan 0.000 0.468 558 V N -0.000 119.812 119.914 -0.170 0.000 2.488 558 V HA -0.162 3.936 4.120 -0.037 0.000 0.246 558 V C 1.266 177.220 176.094 -0.234 0.000 1.046 558 V CA 0.655 62.777 62.300 -0.296 0.000 1.053 558 V CB -0.530 31.037 31.823 -0.428 0.000 0.679 558 V HN 0.660 nan 8.190 nan 0.000 0.458 559 N N 1.353 119.974 118.700 -0.131 0.000 2.365 559 N HA -0.085 4.633 4.740 -0.037 0.000 0.265 559 N C 0.627 176.094 175.510 -0.071 0.000 1.288 559 N CA 0.732 53.723 53.050 -0.098 0.000 0.869 559 N CB -0.142 38.296 38.487 -0.081 0.000 1.071 559 N HN 0.486 nan 8.380 nan 0.000 0.480 560 Q N -0.431 119.323 119.800 -0.077 0.000 2.450 560 Q HA -0.323 3.995 4.340 -0.037 0.000 0.255 560 Q C -0.444 175.507 176.000 -0.081 0.000 1.003 560 Q CA 0.953 56.710 55.803 -0.076 0.000 1.097 560 Q CB -1.567 27.127 28.738 -0.073 0.000 1.544 560 Q HN 0.685 nan 8.270 nan 0.000 0.531 561 H N 0.148 119.126 119.070 -0.152 0.000 2.511 561 H HA 0.214 4.748 4.556 -0.037 0.000 0.346 561 H C 1.140 176.379 175.328 -0.149 0.000 1.128 561 H CA 0.843 56.810 56.048 -0.135 0.000 1.342 561 H CB 1.170 30.852 29.762 -0.133 0.000 1.470 561 H HN 0.226 nan 8.280 nan 0.000 0.546 562 S N 2.192 117.547 115.700 -0.575 0.000 2.527 562 S HA 0.219 4.667 4.470 -0.037 0.000 0.222 562 S C 0.876 175.418 174.600 -0.097 0.000 0.985 562 S CA 0.308 58.331 58.200 -0.295 0.000 0.921 562 S CB 0.101 63.120 63.200 -0.301 0.000 0.772 562 S HN 1.052 nan 8.310 nan 0.000 0.529 563 G N -1.156 107.734 108.800 0.149 0.000 2.525 563 G HA2 0.474 4.412 3.960 -0.037 0.000 0.685 563 G HA3 0.474 4.412 3.960 -0.037 0.000 0.685 563 G C 0.427 175.387 174.900 0.100 0.000 1.285 563 G CA -0.166 44.999 45.100 0.108 0.000 0.849 563 G HN 1.479 nan 8.290 nan 0.000 0.653 564 G N -0.643 108.157 108.800 -0.001 0.000 2.268 564 G HA2 0.074 4.011 3.960 -0.037 0.000 0.240 564 G HA3 0.074 4.011 3.960 -0.037 0.000 0.240 564 G C 1.975 176.786 174.900 -0.148 0.000 1.010 564 G CA 1.590 46.654 45.100 -0.058 0.000 0.618 564 G HN 2.501 nan 8.290 nan 0.000 0.516 565 A N 0.497 123.218 122.820 -0.164 0.000 1.986 565 A HA 0.322 4.619 4.320 -0.037 0.000 0.220 565 A C 2.395 179.711 177.584 -0.447 0.000 1.171 565 A CA 2.551 54.405 52.037 -0.304 0.000 0.640 565 A CB -0.847 17.794 19.000 -0.598 0.000 0.811 565 A HN 1.832 nan 8.150 nan 0.000 0.451 566 G N -1.168 107.293 108.800 -0.565 0.000 3.311 566 G HA2 0.288 4.226 3.960 -0.037 0.000 0.169 566 G HA3 0.288 4.226 3.960 -0.037 0.000 0.169 566 G C 1.159 175.153 174.900 -1.510 0.000 1.852 566 G CA 0.133 44.660 45.100 -0.955 0.000 1.010 566 G HN 0.253 nan 8.290 nan 0.000 0.530 567 L N 1.274 121.715 121.223 -1.303 0.000 2.051 567 L HA -0.110 4.208 4.340 -0.037 0.000 0.214 567 L C 0.010 176.469 176.870 -0.686 0.000 1.076 567 L CA 1.517 55.659 54.840 -1.164 0.000 0.758 567 L CB -1.153 40.016 42.059 -1.482 0.000 0.890 567 L HN 0.280 nan 8.230 nan 0.000 0.433 568 P HA -0.162 nan 4.420 nan 0.000 0.219 568 P C 1.705 178.919 177.300 -0.143 0.000 1.146 568 P CA 1.735 64.726 63.100 -0.182 0.000 0.808 568 P CB 0.008 31.634 31.700 -0.124 0.000 0.779 569 S N -2.515 113.034 115.700 -0.252 0.000 2.404 569 S HA -0.114 4.334 4.470 -0.037 0.000 0.223 569 S C 1.881 176.490 174.600 0.015 0.000 1.040 569 S CA 0.490 58.623 58.200 -0.112 0.000 0.957 569 S CB -1.542 61.592 63.200 -0.111 0.000 0.826 569 S HN -0.029 nan 8.310 nan 0.000 0.491 570 Y N 1.542 121.768 120.300 -0.124 0.000 2.128 570 Y HA 0.046 4.574 4.550 -0.037 0.000 0.284 570 Y C 2.366 178.241 175.900 -0.042 0.000 1.154 570 Y CA -0.238 57.802 58.100 -0.101 0.000 1.149 570 Y CB -1.349 37.013 38.460 -0.164 0.000 0.976 570 Y HN 0.269 nan 8.280 nan 0.000 0.505 571 I N 0.215 120.858 120.570 0.122 0.000 2.361 571 I HA -0.224 3.924 4.170 -0.037 0.000 0.251 571 I C 2.342 178.518 176.117 0.099 0.000 1.133 571 I CA 1.221 62.599 61.300 0.130 0.000 1.413 571 I CB -0.699 37.413 38.000 0.187 0.000 1.073 571 I HN 0.122 nan 8.210 nan 0.000 0.424 572 A N -0.814 122.049 122.820 0.072 0.000 2.125 572 A HA -0.232 4.066 4.320 -0.037 0.000 0.219 572 A C 2.138 179.754 177.584 0.053 0.000 1.156 572 A CA 1.267 53.337 52.037 0.055 0.000 0.671 572 A CB -0.616 18.406 19.000 0.037 0.000 0.794 572 A HN 0.585 nan 8.150 nan 0.000 0.459 573 Q N -1.310 118.527 119.800 0.062 0.000 2.291 573 Q HA -0.144 4.174 4.340 -0.037 0.000 0.206 573 Q C 0.233 176.262 176.000 0.049 0.000 0.976 573 Q CA 0.653 56.486 55.803 0.050 0.000 0.875 573 Q CB -0.094 28.673 28.738 0.049 0.000 0.927 573 Q HN 0.610 nan 8.270 nan 0.000 0.450 574 D N 0.515 120.950 120.400 0.059 0.000 2.708 574 D HA -0.169 4.449 4.640 -0.037 0.000 0.236 574 D C -0.950 175.383 176.300 0.054 0.000 1.146 574 D CA 0.606 54.640 54.000 0.057 0.000 0.662 574 D CB -0.613 40.214 40.800 0.046 0.000 1.059 574 D HN 0.236 nan 8.370 nan 0.000 0.428 575 R N 0.438 120.974 120.500 0.059 0.000 2.641 575 R HA 0.271 4.588 4.340 -0.037 0.000 0.269 575 R C 0.301 176.637 176.300 0.061 0.000 1.074 575 R CA -0.323 55.810 56.100 0.055 0.000 1.133 575 R CB 0.374 30.707 30.300 0.055 0.000 1.029 575 R HN 0.219 nan 8.270 nan 0.000 0.488 576 D N 1.937 122.369 120.400 0.054 0.000 2.383 576 D HA 0.031 4.649 4.640 -0.037 0.000 0.252 576 D C 0.733 177.074 176.300 0.067 0.000 1.166 576 D CA -0.037 53.996 54.000 0.056 0.000 0.879 576 D CB 0.568 41.396 40.800 0.047 0.000 1.164 576 D HN 0.555 nan 8.370 nan 0.000 0.462 577 I N -0.215 120.399 120.570 0.073 0.000 4.081 577 I HA 0.315 4.463 4.170 -0.037 0.000 0.333 577 I C 0.187 176.350 176.117 0.077 0.000 1.413 577 I CA -0.448 60.902 61.300 0.084 0.000 1.110 577 I CB 0.413 38.472 38.000 0.099 0.000 1.082 577 I HN 0.152 nan 8.210 nan 0.000 0.402 578 D N 3.199 123.639 120.400 0.066 0.000 2.435 578 D HA 0.320 4.937 4.640 -0.037 0.000 0.230 578 D C 1.110 177.444 176.300 0.057 0.000 1.215 578 D CA 0.737 54.773 54.000 0.060 0.000 0.947 578 D CB 0.323 41.154 40.800 0.052 0.000 1.048 578 D HN 0.558 nan 8.370 nan 0.000 0.512 579 G N 3.257 112.094 108.800 0.062 0.000 2.341 579 G HA2 -0.186 3.752 3.960 -0.037 0.000 0.278 579 G HA3 -0.186 3.752 3.960 -0.037 0.000 0.278 579 G C 0.033 174.972 174.900 0.067 0.000 1.111 579 G CA -0.205 44.930 45.100 0.059 0.000 0.982 579 G HN 0.491 nan 8.290 nan 0.000 0.502 580 Q N -0.796 119.051 119.800 0.080 0.000 3.093 580 Q HA 0.452 4.770 4.340 -0.037 0.000 0.330 580 Q C -0.938 175.132 176.000 0.116 0.000 0.947 580 Q CA -0.815 55.041 55.803 0.089 0.000 0.801 580 Q CB 0.574 29.361 28.738 0.083 0.000 1.470 580 Q HN 0.209 nan 8.270 nan 0.000 0.498 581 D N 1.787 122.260 120.400 0.122 0.000 2.441 581 D HA 0.334 4.952 4.640 -0.037 0.000 0.221 581 D C -0.435 175.963 176.300 0.163 0.000 1.156 581 D CA -0.182 53.908 54.000 0.151 0.000 0.896 581 D CB -0.395 40.438 40.800 0.055 0.000 1.028 581 D HN 0.425 nan 8.370 nan 0.000 0.509 582 I N -0.161 120.498 120.570 0.148 0.000 2.707 582 I HA 0.662 4.809 4.170 -0.037 0.000 0.309 582 I C -0.764 175.416 176.117 0.105 0.000 1.001 582 I CA -0.955 60.428 61.300 0.137 0.000 1.129 582 I CB 2.035 40.102 38.000 0.113 0.000 1.308 582 I HN -0.127 nan 8.210 nan 0.000 0.466 583 V N 4.630 124.600 119.914 0.094 0.000 2.531 583 V HA 0.369 4.467 4.120 -0.037 0.000 0.301 583 V C -0.104 175.933 176.094 -0.095 0.000 1.034 583 V CA -0.634 61.626 62.300 -0.068 0.000 0.865 583 V CB 1.799 33.526 31.823 -0.159 0.000 0.995 583 V HN 0.583 nan 8.190 nan 0.000 0.424 584 V N 4.030 123.837 119.914 -0.178 0.000 2.439 584 V HA 0.435 4.533 4.120 -0.037 0.000 0.282 584 V C -0.997 175.010 176.094 -0.146 0.000 1.039 584 V CA -0.493 61.771 62.300 -0.060 0.000 0.913 584 V CB 1.466 33.261 31.823 -0.045 0.000 0.983 584 V HN 0.916 nan 8.190 nan 0.000 0.460 585 W N 3.968 125.323 121.300 0.092 0.000 2.336 585 W HA 0.454 5.092 4.660 -0.037 0.000 0.315 585 W C 0.126 176.772 176.519 0.211 0.000 1.016 585 W CA -0.440 56.978 57.345 0.122 0.000 1.318 585 W CB 0.425 29.945 29.460 0.101 0.000 1.247 585 W HN 0.577 nan 8.180 nan 0.000 0.414 586 H N 2.472 121.655 119.070 0.190 0.000 2.519 586 H HA 0.362 4.896 4.556 -0.037 0.000 0.316 586 H C -0.500 175.027 175.328 0.332 0.000 1.065 586 H CA -0.221 55.900 56.048 0.122 0.000 1.264 586 H CB 1.069 30.712 29.762 -0.200 0.000 1.413 586 H HN 0.148 nan 8.280 nan 0.000 0.465 587 T N 7.195 121.795 114.554 0.077 0.000 2.767 587 T HA 0.289 4.617 4.350 -0.037 0.000 0.288 587 T C -0.822 173.817 174.700 -0.101 0.000 0.963 587 T CA -0.366 61.776 62.100 0.071 0.000 1.019 587 T CB -0.141 68.852 68.868 0.208 0.000 0.923 587 T HN 0.472 nan 8.240 nan 0.000 0.468 588 F N 0.179 120.034 119.950 -0.160 0.000 2.608 588 F HA 0.889 5.394 4.527 -0.036 0.000 0.309 588 F C -0.161 175.716 175.800 0.129 0.000 1.103 588 F CA -1.101 56.858 58.000 -0.068 0.000 0.954 588 F CB 1.187 40.116 39.000 -0.119 0.000 1.267 588 F HN 0.783 nan 8.300 nan 0.000 0.444 589 G N 1.624 110.533 108.800 0.181 0.000 2.548 589 G HA2 0.595 4.533 3.960 -0.037 0.000 0.301 589 G HA3 0.595 4.533 3.960 -0.037 0.000 0.301 589 G C -2.507 172.430 174.900 0.061 0.000 1.349 589 G CA -1.146 44.023 45.100 0.117 0.000 0.792 589 G HN 0.817 nan 8.290 nan 0.000 0.481 590 L N 0.566 121.760 121.223 -0.048 0.000 2.341 590 L HA 0.564 4.882 4.340 -0.037 0.000 0.278 590 L C -0.117 176.577 176.870 -0.293 0.000 1.005 590 L CA -0.698 54.022 54.840 -0.199 0.000 0.818 590 L CB 2.389 44.164 42.059 -0.473 0.000 1.259 590 L HN 0.422 nan 8.230 nan 0.000 0.418 591 T N 0.867 115.271 114.554 -0.249 0.000 2.749 591 T HA 0.322 4.650 4.350 -0.037 0.000 0.287 591 T C -0.525 173.962 174.700 -0.356 0.000 0.970 591 T CA -0.273 61.614 62.100 -0.355 0.000 0.980 591 T CB 0.104 68.794 68.868 -0.296 0.000 0.924 591 T HN 0.407 nan 8.240 nan 0.000 0.456 592 H N 2.344 121.032 119.070 -0.637 0.000 2.595 592 H HA 0.307 4.841 4.556 -0.037 0.000 0.313 592 H C -0.949 173.968 175.328 -0.685 0.000 1.023 592 H CA -0.819 54.878 56.048 -0.584 0.000 1.218 592 H CB 0.629 30.038 29.762 -0.588 0.000 1.403 592 H HN 0.470 nan 8.280 nan 0.000 0.477 593 F N 4.750 124.571 119.950 -0.215 0.000 2.310 593 F HA 0.258 4.762 4.527 -0.038 0.000 0.365 593 F C -2.069 173.662 175.800 -0.116 0.000 1.080 593 F CA -2.646 55.102 58.000 -0.420 0.000 1.187 593 F CB 0.569 39.210 39.000 -0.598 0.000 1.465 593 F HN 0.407 nan 8.300 nan 0.000 0.496 594 P HA -0.022 nan 4.420 nan 0.000 0.263 594 P C -0.275 177.105 177.300 0.133 0.000 1.175 594 P CA 0.151 63.340 63.100 0.149 0.000 0.761 594 P CB 0.516 32.373 31.700 0.262 0.000 0.794 595 R N 1.852 122.396 120.500 0.072 0.000 2.873 595 R HA 0.388 4.706 4.340 -0.037 0.000 0.264 595 R C 0.451 176.793 176.300 0.069 0.000 1.026 595 R CA -0.789 55.345 56.100 0.058 0.000 1.002 595 R CB 0.300 30.617 30.300 0.028 0.000 1.174 595 R HN 0.089 nan 8.270 nan 0.000 0.488 596 V N 1.212 121.158 119.914 0.053 0.000 2.453 596 V HA -0.252 3.845 4.120 -0.037 0.000 0.252 596 V C 1.660 177.816 176.094 0.103 0.000 1.068 596 V CA 2.206 64.551 62.300 0.076 0.000 1.070 596 V CB -0.779 31.070 31.823 0.042 0.000 0.664 596 V HN 0.763 nan 8.190 nan 0.000 0.461 597 E N -0.134 120.102 120.200 0.059 0.000 2.409 597 E HA -0.139 4.189 4.350 -0.037 0.000 0.198 597 E C 1.632 178.254 176.600 0.037 0.000 1.024 597 E CA 0.744 57.167 56.400 0.039 0.000 0.861 597 E CB -0.206 29.502 29.700 0.012 0.000 0.788 597 E HN 0.603 nan 8.360 nan 0.000 0.521 598 D N -0.988 119.455 120.400 0.072 0.000 2.348 598 D HA -0.062 4.556 4.640 -0.037 0.000 0.211 598 D C -0.164 176.221 176.300 0.143 0.000 0.998 598 D CA 0.263 54.308 54.000 0.075 0.000 0.873 598 D CB 0.168 41.018 40.800 0.083 0.000 0.925 598 D HN 0.212 nan 8.370 nan 0.000 0.524 599 W N 2.448 123.738 121.300 -0.016 0.000 2.551 599 W HA 0.213 4.850 4.660 -0.038 0.000 0.330 599 W C -1.941 174.578 176.519 0.001 0.000 1.063 599 W CA -1.938 55.402 57.345 -0.008 0.000 1.222 599 W CB 2.088 31.543 29.460 -0.007 0.000 1.349 599 W HN -0.201 nan 8.180 nan 0.000 0.536 600 P HA 0.089 nan 4.420 nan 0.000 0.240 600 P C -0.206 176.569 177.300 -0.874 0.000 1.190 600 P CA 0.598 62.682 63.100 -1.694 0.000 0.781 600 P CB 1.295 32.291 31.700 -1.174 0.000 0.931 601 I N -0.264 120.024 120.570 -0.470 0.000 2.499 601 I HA 0.341 4.489 4.170 -0.037 0.000 0.288 601 I C -0.551 175.413 176.117 -0.254 0.000 1.048 601 I CA -1.548 59.489 61.300 -0.438 0.000 1.062 601 I CB 2.258 39.826 38.000 -0.720 0.000 1.238 601 I HN -0.280 nan 8.210 nan 0.000 0.426 602 M N 9.552 129.048 119.600 -0.174 0.000 2.188 602 M HA 0.427 4.885 4.480 -0.037 0.000 0.354 602 M C -2.363 173.883 176.300 -0.090 0.000 1.342 602 M CA -1.301 53.952 55.300 -0.079 0.000 1.117 602 M CB 0.721 33.328 32.600 0.012 0.000 1.670 602 M HN 0.339 nan 8.290 nan 0.000 0.466 603 P HA 0.114 nan 4.420 nan 0.000 0.274 603 P C -0.946 176.323 177.300 -0.051 0.000 1.231 603 P CA -0.558 62.502 63.100 -0.067 0.000 0.790 603 P CB 0.550 32.217 31.700 -0.055 0.000 0.951 604 V N 2.699 122.588 119.914 -0.042 0.000 2.584 604 V HA -0.041 4.057 4.120 -0.037 0.000 0.303 604 V C 0.587 176.659 176.094 -0.037 0.000 1.035 604 V CA 1.139 63.419 62.300 -0.034 0.000 1.172 604 V CB -0.245 31.566 31.823 -0.020 0.000 0.896 604 V HN 0.596 nan 8.190 nan 0.000 0.486 605 D N 2.765 123.143 120.400 -0.037 0.000 2.433 605 D HA 0.714 5.332 4.640 -0.037 0.000 0.236 605 D C -0.240 176.025 176.300 -0.057 0.000 1.026 605 D CA -0.189 53.805 54.000 -0.010 0.000 0.884 605 D CB 2.255 43.109 40.800 0.091 0.000 1.384 605 D HN 0.713 nan 8.370 nan 0.000 0.477 606 T N -1.168 113.357 114.554 -0.047 0.000 2.906 606 T HA 0.791 5.119 4.350 -0.037 0.000 0.295 606 T C -0.493 174.195 174.700 -0.020 0.000 1.075 606 T CA -0.670 61.378 62.100 -0.086 0.000 1.005 606 T CB 1.185 69.993 68.868 -0.101 0.000 1.136 606 T HN 0.266 nan 8.240 nan 0.000 0.498 607 V N -1.451 118.423 119.914 -0.066 0.000 3.206 607 V HA 1.055 5.152 4.120 -0.037 0.000 0.305 607 V C 0.412 176.388 176.094 -0.196 0.000 1.257 607 V CA -0.270 62.044 62.300 0.023 0.000 1.057 607 V CB 1.169 33.090 31.823 0.163 0.000 1.075 607 V HN 1.641 nan 8.190 nan 0.000 0.443 608 G N 0.181 108.678 108.800 -0.504 0.000 2.360 608 G HA2 0.733 4.671 3.960 -0.037 0.000 0.276 608 G HA3 0.733 4.671 3.960 -0.037 0.000 0.276 608 G C -1.652 172.686 174.900 -0.938 0.000 1.256 608 G CA 0.211 44.849 45.100 -0.772 0.000 0.890 608 G HN 2.109 nan 8.290 nan 0.000 0.486 609 F N -1.189 118.426 119.950 -0.558 0.000 2.807 609 F HA 0.855 5.359 4.527 -0.037 0.000 0.316 609 F C -1.076 174.725 175.800 0.003 0.000 1.162 609 F CA -0.946 56.917 58.000 -0.228 0.000 0.910 609 F CB 1.358 40.246 39.000 -0.186 0.000 1.314 609 F HN 0.867 nan 8.300 nan 0.000 0.454 610 K N 0.895 121.484 120.400 0.314 0.000 2.533 610 K HA 0.849 5.147 4.320 -0.037 0.000 0.272 610 K C -2.441 174.415 176.600 0.427 0.000 0.985 610 K CA -1.033 55.421 56.287 0.278 0.000 0.876 610 K CB 2.770 35.401 32.500 0.219 0.000 1.452 610 K HN 0.788 nan 8.250 nan 0.000 0.439 611 L N 1.435 122.907 121.223 0.414 0.000 2.381 611 L HA 0.559 4.877 4.340 -0.037 0.000 0.274 611 L C -0.626 176.505 176.870 0.435 0.000 0.988 611 L CA -0.523 54.582 54.840 0.441 0.000 0.824 611 L CB 2.097 44.445 42.059 0.483 0.000 1.263 611 L HN 0.565 nan 8.230 nan 0.000 0.410 612 R N 3.004 123.664 120.500 0.266 0.000 2.740 612 R HA 0.532 4.850 4.340 -0.037 0.000 0.282 612 R C -2.606 173.417 176.300 -0.463 0.000 0.969 612 R CA -2.058 54.059 56.100 0.028 0.000 0.918 612 R CB 1.985 32.366 30.300 0.134 0.000 1.175 612 R HN 0.214 nan 8.270 nan 0.000 0.464 613 P HA -0.036 nan 4.420 nan 0.000 0.264 613 P C -0.747 176.372 177.300 -0.302 0.000 1.193 613 P CA 0.270 62.826 63.100 -0.906 0.000 0.763 613 P CB 0.575 32.104 31.700 -0.284 0.000 0.810 614 E N 2.949 123.039 120.200 -0.184 0.000 2.683 614 E HA 0.434 4.762 4.350 -0.037 0.000 0.224 614 E C 0.678 177.301 176.600 0.038 0.000 1.046 614 E CA -0.378 56.004 56.400 -0.029 0.000 0.811 614 E CB -0.861 28.835 29.700 -0.007 0.000 1.296 614 E HN 0.582 nan 8.360 nan 0.000 0.421 615 G N 3.178 112.010 108.800 0.055 0.000 2.160 615 G HA2 -0.354 3.584 3.960 -0.037 0.000 0.244 615 G HA3 -0.354 3.584 3.960 -0.037 0.000 0.244 615 G C 0.457 175.398 174.900 0.068 0.000 1.022 615 G CA 0.337 45.471 45.100 0.057 0.000 0.741 615 G HN 0.517 nan 8.290 nan 0.000 0.508 616 F N 0.283 120.176 119.950 -0.095 0.000 2.118 616 F HA 0.450 4.955 4.527 -0.037 0.000 0.293 616 F C 1.459 177.061 175.800 -0.330 0.000 1.102 616 F CA 0.718 58.577 58.000 -0.236 0.000 1.247 616 F CB -0.056 38.737 39.000 -0.345 0.000 1.017 616 F HN 0.113 nan 8.300 nan 0.000 0.475 617 F N 0.713 120.676 119.950 0.022 0.000 2.368 617 F HA 0.188 4.692 4.527 -0.037 0.000 0.315 617 F C 1.643 177.394 175.800 -0.083 0.000 1.145 617 F CA -0.571 57.377 58.000 -0.086 0.000 1.095 617 F CB 0.106 39.066 39.000 -0.067 0.000 1.286 617 F HN -0.177 nan 8.300 nan 0.000 0.530 618 D N -0.169 120.303 120.400 0.121 0.000 2.323 618 D HA 0.020 4.638 4.640 -0.037 0.000 0.209 618 D C 0.555 176.880 176.300 0.041 0.000 0.973 618 D CA 0.822 54.848 54.000 0.043 0.000 0.874 618 D CB 0.317 41.127 40.800 0.016 0.000 0.930 618 D HN 0.529 nan 8.370 nan 0.000 0.521 619 R N -1.688 118.846 120.500 0.057 0.000 2.835 619 R HA 0.280 4.597 4.340 -0.037 0.000 0.271 619 R C -0.698 175.586 176.300 -0.027 0.000 1.013 619 R CA -0.743 55.362 56.100 0.010 0.000 0.876 619 R CB 0.553 30.848 30.300 -0.009 0.000 1.348 619 R HN -0.199 nan 8.270 nan 0.000 0.453 620 S N 1.273 116.936 115.700 -0.061 0.000 2.544 620 S HA 0.094 4.542 4.470 -0.037 0.000 0.290 620 S C -1.270 173.222 174.600 -0.180 0.000 1.276 620 S CA -0.976 57.154 58.200 -0.116 0.000 1.075 620 S CB 0.488 63.641 63.200 -0.077 0.000 0.849 620 S HN 0.505 nan 8.310 nan 0.000 0.494 621 P HA 0.065 nan 4.420 nan 0.000 0.249 621 P C 0.643 177.825 177.300 -0.198 0.000 1.229 621 P CA 0.354 63.187 63.100 -0.446 0.000 0.788 621 P CB -0.123 30.868 31.700 -1.181 0.000 1.072 622 V N -3.736 116.106 119.914 -0.121 0.000 3.271 622 V HA 0.173 4.271 4.120 -0.037 0.000 0.327 622 V C 2.029 178.138 176.094 0.026 0.000 1.389 622 V CA -0.074 62.211 62.300 -0.024 0.000 1.156 622 V CB -0.965 30.865 31.823 0.012 0.000 1.103 622 V HN -0.100 nan 8.190 nan 0.000 0.453 623 L N 1.705 122.934 121.223 0.010 0.000 2.191 623 L HA -0.093 4.224 4.340 -0.037 0.000 0.212 623 L C 2.169 179.078 176.870 0.065 0.000 1.103 623 L CA 1.863 56.730 54.840 0.045 0.000 0.769 623 L CB -0.364 41.698 42.059 0.006 0.000 0.908 623 L HN 0.574 nan 8.230 nan 0.000 0.438 624 D N -0.019 120.401 120.400 0.034 0.000 2.328 624 D HA -0.001 4.616 4.640 -0.037 0.000 0.221 624 D C 0.619 176.932 176.300 0.021 0.000 1.072 624 D CA -0.040 53.977 54.000 0.029 0.000 0.850 624 D CB -0.656 40.151 40.800 0.013 0.000 0.922 624 D HN 0.150 nan 8.370 nan 0.000 0.516 625 V N -1.098 118.833 119.914 0.028 0.000 2.637 625 V HA 0.370 4.468 4.120 -0.037 0.000 0.296 625 V C -1.795 174.301 176.094 0.004 0.000 1.046 625 V CA -1.352 60.953 62.300 0.009 0.000 1.066 625 V CB 0.556 32.388 31.823 0.014 0.000 0.968 625 V HN -0.059 nan 8.190 nan 0.000 0.483 626 P HA 0.478 nan 4.420 nan 0.000 0.297 626 P C -0.603 176.671 177.300 -0.043 0.000 1.303 626 P CA -0.566 62.525 63.100 -0.016 0.000 0.753 626 P CB 1.202 32.896 31.700 -0.010 0.000 1.281 627 A N 0.692 123.484 122.820 -0.046 0.000 2.802 627 A HA 0.311 4.609 4.320 -0.037 0.000 0.344 627 A C 0.237 177.799 177.584 -0.037 0.000 1.215 627 A CA -0.640 51.358 52.037 -0.065 0.000 0.821 627 A CB -0.768 18.176 19.000 -0.092 0.000 1.099 627 A HN 0.358 nan 8.150 nan 0.000 0.479 628 N N 0.000 118.687 118.700 -0.021 0.000 1.763 628 N HA 0.000 4.718 4.740 -0.037 0.000 0.220 628 N CA 0.000 53.046 53.050 -0.007 0.000 0.885 628 N CB 0.000 38.492 38.487 0.009 0.000 1.341 628 N HN 0.000 nan 8.380 nan 0.000 0.667