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 3o4g_1_B DATA FIRST_RESID 7 DATA SEQUENCE VEFSRIVRDV ERLIAVEKYS LQGVVDGDKL LVVGFSEGSV NAYLYDGGET DATA SEQUENCE VKLNREPINS VLDPHYGVGR VILVRDVSKG AEQHALFKVN TSRPGEEQRL DATA SEQUENCE EAVKPMRILS GVDTGEAVVF TGATEDRVAL YALDGGGLRE LARLPGFGFV DATA SEQUENCE SDIRGDLIAG LGFFGGGRVS LFTSNLSSGG LRVFDSGEGS FSSASISPGM DATA SEQUENCE KVTAGLETAR EARLVTVDPR DGSVEDLELP SKDFSSYRPT AITWLGYLPD DATA SEQUENCE GRLAVVARRE GRSAVFIDGE RVEAPQGNHG RVVLWRGKLV TSHTSLSTPP DATA SEQUENCE RIVSLPSGEP LLEGGLPEDL RRSIAGSRLV WVESFDGSRV PTYVLESGRA DATA SEQUENCE PTPGPTVVLV HGGPFAEDSD SWDTFAASLA AAGFHVVMPN YRGSTGYGEE DATA SEQUENCE WRLKIIGDPC GGELEDVSAA ARWARESGLA SELYIMGYSY GGYMTLCALT DATA SEQUENCE MKPGLFKAGV AGASVVDWEE MYELSDAAFR NFIEQLTGGS REIMRSRSPI DATA SEQUENCE NHVDRIKEPL ALIHPQNDSR TPLKPLLRLM GELLARGKTF EAHIIPDAXH DATA SEQUENCE AINTMEDAVK ILLPAVFFLA TQRER 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 7 V HA 0.000 nan 4.120 nan 0.000 0.244 7 V C 0.000 175.988 176.094 -0.177 0.000 1.182 7 V CA 0.000 62.234 62.300 -0.111 0.000 1.235 7 V CB 0.000 31.756 31.823 -0.111 0.000 1.184 8 E N 4.201 124.326 120.200 -0.126 0.000 2.318 8 E HA 0.530 6.787 4.350 3.179 0.000 0.265 8 E C 0.264 176.799 176.600 -0.109 0.000 1.069 8 E CA -0.467 55.844 56.400 -0.148 0.000 0.893 8 E CB 1.366 31.057 29.700 -0.015 0.000 1.076 8 E HN 0.579 nan 8.360 nan 0.000 0.414 9 F N 1.223 121.081 119.950 -0.153 0.000 2.120 9 F HA -0.263 6.177 4.527 3.188 0.000 0.300 9 F C 2.712 178.542 175.800 0.051 0.000 1.095 9 F CA 1.960 59.836 58.000 -0.206 0.000 1.249 9 F CB -0.772 37.804 39.000 -0.707 0.000 0.995 9 F HN 0.537 nan 8.300 nan 0.000 0.480 10 S N 0.380 116.215 115.700 0.226 0.000 2.400 10 S HA -0.233 6.144 4.470 3.179 0.000 0.232 10 S C 2.294 176.977 174.600 0.137 0.000 1.025 10 S CA 1.238 59.539 58.200 0.170 0.000 0.993 10 S CB -1.146 62.118 63.200 0.106 0.000 0.808 10 S HN 0.449 nan 8.310 nan 0.000 0.478 11 R N 1.413 121.976 120.500 0.106 0.000 2.066 11 R HA 0.248 6.495 4.340 3.179 0.000 0.232 11 R C 2.281 178.643 176.300 0.102 0.000 1.131 11 R CA 1.524 57.670 56.100 0.077 0.000 0.955 11 R CB -1.643 28.680 30.300 0.039 0.000 0.851 11 R HN 0.619 nan 8.270 nan 0.000 0.432 12 I N 0.551 121.209 120.570 0.147 0.000 2.127 12 I HA -0.274 5.803 4.170 3.179 0.000 0.241 12 I C 2.480 178.698 176.117 0.169 0.000 1.075 12 I CA 1.673 63.083 61.300 0.184 0.000 1.334 12 I CB -0.341 37.846 38.000 0.312 0.000 1.040 12 I HN 0.164 nan 8.210 nan 0.000 0.405 13 V N 0.592 120.646 119.914 0.233 0.000 2.324 13 V HA -0.323 5.705 4.120 3.179 0.000 0.250 13 V C 2.590 178.733 176.094 0.081 0.000 1.060 13 V CA 1.950 64.341 62.300 0.152 0.000 1.042 13 V CB -0.789 31.160 31.823 0.209 0.000 0.650 13 V HN 0.367 nan 8.190 nan 0.000 0.450 14 R N -0.347 120.203 120.500 0.084 0.000 2.081 14 R HA -0.156 6.091 4.340 3.179 0.000 0.235 14 R C 2.156 178.483 176.300 0.045 0.000 1.131 14 R CA 1.753 57.886 56.100 0.055 0.000 0.960 14 R CB -0.471 29.860 30.300 0.053 0.000 0.856 14 R HN 0.557 nan 8.270 nan 0.000 0.436 15 D N 0.165 120.597 120.400 0.053 0.000 2.097 15 D HA -0.131 6.417 4.640 3.179 0.000 0.195 15 D C 1.978 178.301 176.300 0.039 0.000 0.989 15 D CA 1.112 55.142 54.000 0.050 0.000 0.827 15 D CB -0.241 40.593 40.800 0.058 0.000 0.966 15 D HN -0.006 nan 8.370 nan 0.000 0.456 16 V N 1.115 121.042 119.914 0.023 0.000 2.392 16 V HA -0.237 5.790 4.120 3.179 0.000 0.249 16 V C 2.433 178.517 176.094 -0.018 0.000 1.059 16 V CA 1.809 64.098 62.300 -0.017 0.000 1.051 16 V CB -0.411 31.376 31.823 -0.060 0.000 0.658 16 V HN 0.234 nan 8.190 nan 0.000 0.455 17 E N -0.079 120.120 120.200 -0.002 0.000 2.072 17 E HA -0.205 6.052 4.350 3.179 0.000 0.191 17 E C 2.466 179.069 176.600 0.005 0.000 0.985 17 E CA 1.025 57.422 56.400 -0.005 0.000 0.801 17 E CB -0.024 29.678 29.700 0.004 0.000 0.750 17 E HN 0.522 nan 8.360 nan 0.000 0.452 18 R N 0.044 120.555 120.500 0.019 0.000 2.075 18 R HA -0.073 6.175 4.340 3.179 0.000 0.232 18 R C 2.542 178.867 176.300 0.043 0.000 1.126 18 R CA 1.161 57.276 56.100 0.025 0.000 0.963 18 R CB -0.239 30.081 30.300 0.033 0.000 0.858 18 R HN 0.267 nan 8.270 nan 0.000 0.435 19 L N 0.412 121.680 121.223 0.074 0.000 2.141 19 L HA -0.143 6.104 4.340 3.179 0.000 0.209 19 L C 2.244 179.194 176.870 0.134 0.000 1.094 19 L CA 0.704 55.639 54.840 0.158 0.000 0.763 19 L CB -0.263 41.898 42.059 0.171 0.000 0.908 19 L HN 0.187 nan 8.230 nan 0.000 0.437 20 I N 0.021 120.617 120.570 0.044 0.000 2.406 20 I HA -0.133 5.945 4.170 3.179 0.000 0.249 20 I C 2.546 178.663 176.117 -0.001 0.000 1.122 20 I CA 1.266 62.572 61.300 0.011 0.000 1.431 20 I CB -0.893 37.085 38.000 -0.037 0.000 1.087 20 I HN 0.159 nan 8.210 nan 0.000 0.424 21 A N 0.263 123.078 122.820 -0.008 0.000 2.132 21 A HA 0.040 6.267 4.320 3.179 0.000 0.213 21 A C 1.307 178.860 177.584 -0.051 0.000 1.154 21 A CA 0.016 52.037 52.037 -0.028 0.000 0.753 21 A CB -0.383 18.605 19.000 -0.021 0.000 0.826 21 A HN 0.123 nan 8.150 nan 0.000 0.469 22 V N 1.722 121.606 119.914 -0.051 0.000 2.617 22 V HA 0.370 6.397 4.120 3.179 0.000 0.304 22 V C 0.556 176.547 176.094 -0.172 0.000 1.040 22 V CA 0.532 62.770 62.300 -0.102 0.000 1.149 22 V CB 0.073 31.818 31.823 -0.129 0.000 0.914 22 V HN 0.681 nan 8.190 nan 0.000 0.487 23 E N 6.386 126.464 120.200 -0.203 0.000 2.351 23 E HA 0.257 6.514 4.350 3.179 0.000 0.266 23 E C -0.130 176.169 176.600 -0.502 0.000 1.031 23 E CA -0.226 55.955 56.400 -0.366 0.000 0.911 23 E CB 0.163 29.627 29.700 -0.393 0.000 0.986 23 E HN 0.826 nan 8.360 nan 0.000 0.446 24 K N 1.235 121.323 120.400 -0.520 0.000 2.138 24 K HA 0.610 6.838 4.320 3.179 0.000 0.263 24 K C -1.130 175.122 176.600 -0.579 0.000 0.965 24 K CA -0.496 55.523 56.287 -0.447 0.000 0.868 24 K CB 1.424 33.750 32.500 -0.289 0.000 1.083 24 K HN 0.627 nan 8.250 nan 0.000 0.443 25 Y N -0.033 120.173 120.300 -0.156 0.000 2.409 25 Y HA 0.337 6.795 4.550 3.180 0.000 0.343 25 Y C 0.063 175.891 175.900 -0.120 0.000 0.973 25 Y CA -0.703 57.316 58.100 -0.136 0.000 1.064 25 Y CB 2.465 40.818 38.460 -0.178 0.000 1.207 25 Y HN 0.493 nan 8.280 nan 0.000 0.452 26 S N 3.550 119.288 115.700 0.064 0.000 2.532 26 S HA 0.507 6.885 4.470 3.179 0.000 0.299 26 S C -1.689 172.896 174.600 -0.025 0.000 1.105 26 S CA -0.659 57.538 58.200 -0.005 0.000 1.018 26 S CB 0.732 63.918 63.200 -0.023 0.000 1.021 26 S HN 0.584 nan 8.310 nan 0.000 0.483 27 L N 5.210 126.384 121.223 -0.082 0.000 2.281 27 L HA 0.509 6.757 4.340 3.179 0.000 0.285 27 L C 0.886 177.676 176.870 -0.132 0.000 1.074 27 L CA 0.537 55.302 54.840 -0.124 0.000 0.817 27 L CB 0.875 42.833 42.059 -0.169 0.000 1.168 27 L HN 0.785 nan 8.230 nan 0.000 0.434 28 Q N 4.085 123.822 119.800 -0.105 0.000 2.396 28 Q HA 0.461 6.708 4.340 3.179 0.000 0.220 28 Q C 0.695 176.637 176.000 -0.097 0.000 0.900 28 Q CA 0.683 56.438 55.803 -0.080 0.000 0.925 28 Q CB 1.041 29.755 28.738 -0.039 0.000 1.065 28 Q HN 0.940 nan 8.270 nan 0.000 0.535 29 G N -0.398 108.316 108.800 -0.143 0.000 2.356 29 G HA2 0.207 6.075 3.960 3.179 0.000 0.266 29 G HA3 0.207 6.075 3.960 3.179 0.000 0.266 29 G C -1.746 173.006 174.900 -0.247 0.000 1.312 29 G CA -0.493 44.476 45.100 -0.218 0.000 0.922 29 G HN -0.075 nan 8.290 nan 0.000 0.480 30 V N 0.568 120.269 119.914 -0.355 0.000 2.656 30 V HA 0.819 6.846 4.120 3.179 0.000 0.307 30 V C 0.425 176.455 176.094 -0.107 0.000 1.051 30 V CA -0.041 62.130 62.300 -0.215 0.000 0.893 30 V CB 1.042 32.762 31.823 -0.171 0.000 0.999 30 V HN 1.766 nan 8.190 nan 0.000 0.426 31 V N 0.350 120.257 119.914 -0.011 0.000 3.156 31 V HA 0.799 6.826 4.120 3.179 0.000 0.310 31 V C 0.112 176.246 176.094 0.066 0.000 1.234 31 V CA -0.441 61.877 62.300 0.031 0.000 1.065 31 V CB 1.648 33.481 31.823 0.017 0.000 1.088 31 V HN 0.829 nan 8.190 nan 0.000 0.451 32 D N -0.438 120.002 120.400 0.065 0.000 3.012 32 D HA 0.003 6.550 4.640 3.179 0.000 0.222 32 D C 1.085 177.434 176.300 0.081 0.000 1.167 32 D CA 2.488 56.527 54.000 0.065 0.000 0.854 32 D CB -1.185 39.648 40.800 0.056 0.000 1.107 32 D HN 2.302 nan 8.370 nan 0.000 0.421 33 G N -0.140 108.718 108.800 0.097 0.000 5.259 33 G HA2 -0.312 5.555 3.960 3.179 0.000 0.288 33 G HA3 -0.312 5.555 3.960 3.179 0.000 0.288 33 G C 0.112 175.102 174.900 0.151 0.000 1.534 33 G CA 0.264 45.429 45.100 0.108 0.000 1.031 33 G HN 0.483 nan 8.290 nan 0.000 0.724 34 D N 1.979 122.478 120.400 0.164 0.000 2.656 34 D HA 0.484 7.031 4.640 3.179 0.000 0.303 34 D C -0.348 176.213 176.300 0.435 0.000 1.199 34 D CA -0.026 54.133 54.000 0.264 0.000 0.797 34 D CB 0.127 40.993 40.800 0.110 0.000 1.170 34 D HN 0.541 nan 8.370 nan 0.000 0.509 35 K N 0.568 121.163 120.400 0.325 0.000 2.469 35 K HA 0.480 6.707 4.320 3.179 0.000 0.254 35 K C -0.364 176.198 176.600 -0.062 0.000 0.939 35 K CA -0.839 55.559 56.287 0.185 0.000 0.812 35 K CB 2.640 35.193 32.500 0.088 0.000 1.301 35 K HN -0.011 nan 8.250 nan 0.000 0.433 36 L N 2.637 123.669 121.223 -0.318 0.000 2.349 36 L HA 0.274 6.521 4.340 3.179 0.000 0.275 36 L C -0.295 176.497 176.870 -0.130 0.000 1.115 36 L CA -0.817 53.833 54.840 -0.317 0.000 0.820 36 L CB 0.367 42.161 42.059 -0.442 0.000 1.135 36 L HN 0.364 nan 8.230 nan 0.000 0.445 37 L N 4.740 125.898 121.223 -0.107 0.000 2.257 37 L HA 0.505 6.752 4.340 3.179 0.000 0.290 37 L C -0.518 176.327 176.870 -0.041 0.000 1.044 37 L CA 0.084 54.897 54.840 -0.046 0.000 0.810 37 L CB 1.339 43.373 42.059 -0.042 0.000 1.193 37 L HN 0.260 nan 8.230 nan 0.000 0.425 38 V N 5.446 125.374 119.914 0.024 0.000 2.823 38 V HA 0.563 6.591 4.120 3.179 0.000 0.312 38 V C -0.573 175.617 176.094 0.159 0.000 1.072 38 V CA -0.717 61.615 62.300 0.054 0.000 0.937 38 V CB 2.476 34.306 31.823 0.012 0.000 1.013 38 V HN 0.457 nan 8.190 nan 0.000 0.430 39 V N 2.633 122.628 119.914 0.136 0.000 2.483 39 V HA 0.757 6.785 4.120 3.179 0.000 0.295 39 V C 0.563 176.759 176.094 0.170 0.000 1.035 39 V CA -0.247 62.135 62.300 0.137 0.000 0.896 39 V CB 1.816 33.661 31.823 0.037 0.000 0.986 39 V HN 0.986 nan 8.190 nan 0.000 0.447 40 G N 2.749 111.684 108.800 0.224 0.000 2.372 40 G HA2 0.656 6.523 3.960 3.179 0.000 0.323 40 G HA3 0.656 6.523 3.960 3.179 0.000 0.323 40 G C -1.027 173.839 174.900 -0.057 0.000 1.152 40 G CA -0.290 44.812 45.100 0.004 0.000 0.906 40 G HN 0.485 nan 8.290 nan 0.000 0.460 41 F N 0.218 120.055 119.950 -0.189 0.000 2.507 41 F HA 0.806 7.240 4.527 3.179 0.000 0.325 41 F C 0.376 176.078 175.800 -0.164 0.000 1.116 41 F CA -1.573 56.349 58.000 -0.130 0.000 0.930 41 F CB 1.604 40.538 39.000 -0.109 0.000 1.146 41 F HN 0.725 nan 8.300 nan 0.000 0.447 42 S N 0.956 116.594 115.700 -0.104 0.000 2.720 42 S HA 0.388 6.766 4.470 3.179 0.000 0.278 42 S C -0.442 174.124 174.600 -0.057 0.000 1.172 42 S CA -0.406 57.738 58.200 -0.094 0.000 1.019 42 S CB 0.794 63.939 63.200 -0.092 0.000 1.049 42 S HN 0.852 nan 8.310 nan 0.000 0.483 43 E N 2.812 122.984 120.200 -0.048 0.000 2.539 43 E HA -0.243 6.014 4.350 3.179 0.000 0.253 43 E C 0.822 177.402 176.600 -0.032 0.000 1.145 43 E CA 0.787 57.165 56.400 -0.036 0.000 0.738 43 E CB -1.764 27.916 29.700 -0.033 0.000 1.308 43 E HN 1.626 nan 8.360 nan 0.000 0.409 44 G N 0.047 108.827 108.800 -0.032 0.000 2.155 44 G HA2 -0.369 5.498 3.960 3.179 0.000 0.257 44 G HA3 -0.369 5.498 3.960 3.179 0.000 0.257 44 G C 0.095 174.980 174.900 -0.025 0.000 0.983 44 G CA 0.636 45.721 45.100 -0.025 0.000 0.676 44 G HN 0.505 nan 8.290 nan 0.000 0.528 45 S N -0.357 115.325 115.700 -0.031 0.000 2.438 45 S HA 0.645 7.022 4.470 3.179 0.000 0.316 45 S C 0.259 174.838 174.600 -0.035 0.000 1.084 45 S CA -0.395 57.786 58.200 -0.030 0.000 1.107 45 S CB 1.249 64.432 63.200 -0.029 0.000 0.981 45 S HN 0.751 nan 8.310 nan 0.000 0.466 46 V N 6.502 126.394 119.914 -0.036 0.000 2.472 46 V HA 0.571 6.599 4.120 3.179 0.000 0.290 46 V C 0.034 176.091 176.094 -0.062 0.000 1.037 46 V CA -0.854 61.422 62.300 -0.039 0.000 0.908 46 V CB 1.566 33.368 31.823 -0.034 0.000 0.985 46 V HN 0.819 nan 8.190 nan 0.000 0.454 47 N N 1.772 120.433 118.700 -0.065 0.000 2.262 47 N HA 0.727 7.374 4.740 3.179 0.000 0.295 47 N C -0.789 174.565 175.510 -0.260 0.000 1.161 47 N CA -0.400 52.529 53.050 -0.202 0.000 0.767 47 N CB 2.570 40.891 38.487 -0.276 0.000 1.499 47 N HN 0.775 nan 8.380 nan 0.000 0.476 48 A N 1.400 123.989 122.820 -0.384 0.000 2.305 48 A HA 0.736 6.964 4.320 3.179 0.000 0.322 48 A C -1.457 175.836 177.584 -0.485 0.000 1.187 48 A CA -0.293 51.580 52.037 -0.272 0.000 0.825 48 A CB 0.329 19.241 19.000 -0.146 0.000 1.164 48 A HN 0.606 nan 8.150 nan 0.000 0.498 49 Y N 0.375 120.683 120.300 0.014 0.000 2.576 49 Y HA 0.570 7.027 4.550 3.178 0.000 0.346 49 Y C -0.216 175.690 175.900 0.009 0.000 1.018 49 Y CA -0.804 57.309 58.100 0.022 0.000 1.050 49 Y CB 1.959 40.450 38.460 0.052 0.000 1.280 49 Y HN 0.512 nan 8.280 nan 0.000 0.474 50 L N 2.540 123.873 121.223 0.182 0.000 2.272 50 L HA 0.350 6.598 4.340 3.179 0.000 0.289 50 L C -1.312 175.625 176.870 0.112 0.000 1.032 50 L CA -0.732 54.166 54.840 0.098 0.000 0.810 50 L CB 0.893 42.984 42.059 0.053 0.000 1.205 50 L HN 0.607 nan 8.230 nan 0.000 0.422 51 Y N 4.180 124.429 120.300 -0.085 0.000 2.352 51 Y HA 0.531 6.989 4.550 3.179 0.000 0.339 51 Y C -0.894 174.919 175.900 -0.145 0.000 0.992 51 Y CA -0.533 57.479 58.100 -0.147 0.000 1.100 51 Y CB 1.298 39.598 38.460 -0.268 0.000 1.192 51 Y HN 0.485 nan 8.280 nan 0.000 0.458 52 D N 3.938 123.843 120.400 -0.825 0.000 2.861 52 D HA 0.312 6.860 4.640 3.179 0.000 0.216 52 D C -0.030 175.928 176.300 -0.570 0.000 1.323 52 D CA 0.465 54.116 54.000 -0.582 0.000 0.917 52 D CB 1.336 42.106 40.800 -0.050 0.000 1.582 52 D HN 1.024 nan 8.370 nan 0.000 0.576 53 G N 2.346 110.879 108.800 -0.445 0.000 2.298 53 G HA2 0.105 5.972 3.960 3.179 0.000 0.287 53 G HA3 0.105 5.972 3.960 3.179 0.000 0.287 53 G C 1.085 175.908 174.900 -0.127 0.000 1.075 53 G CA 1.154 46.168 45.100 -0.143 0.000 0.960 53 G HN 1.582 nan 8.290 nan 0.000 0.502 54 G N -1.615 107.121 108.800 -0.107 0.000 3.206 54 G HA2 0.276 6.143 3.960 3.179 0.000 0.217 54 G HA3 0.276 6.143 3.960 3.179 0.000 0.217 54 G C 0.737 175.681 174.900 0.073 0.000 1.350 54 G CA 1.427 46.581 45.100 0.090 0.000 0.836 54 G HN 2.272 nan 8.290 nan 0.000 0.548 55 E N 1.039 121.217 120.200 -0.036 0.000 2.366 55 E HA 0.656 6.913 4.350 3.179 0.000 0.266 55 E C 0.487 177.087 176.600 0.000 0.000 1.051 55 E CA 0.768 57.163 56.400 -0.008 0.000 0.884 55 E CB 0.714 30.403 29.700 -0.019 0.000 1.006 55 E HN 1.854 nan 8.360 nan 0.000 0.417 56 T N -2.250 112.335 114.554 0.052 0.000 2.907 56 T HA 0.653 6.910 4.350 3.179 0.000 0.292 56 T C -0.784 173.989 174.700 0.122 0.000 1.043 56 T CA -0.580 61.574 62.100 0.091 0.000 1.003 56 T CB 1.392 70.300 68.868 0.066 0.000 1.084 56 T HN 0.610 nan 8.240 nan 0.000 0.483 57 V N 2.656 122.674 119.914 0.174 0.000 2.531 57 V HA 0.506 6.533 4.120 3.179 0.000 0.301 57 V C 0.178 176.397 176.094 0.208 0.000 1.034 57 V CA -1.124 61.271 62.300 0.159 0.000 0.865 57 V CB 1.778 33.648 31.823 0.077 0.000 0.995 57 V HN 1.065 nan 8.190 nan 0.000 0.424 58 K N 3.053 123.545 120.400 0.153 0.000 2.350 58 K HA 0.340 6.567 4.320 3.179 0.000 0.279 58 K C 0.297 176.837 176.600 -0.101 0.000 1.027 58 K CA -0.174 56.061 56.287 -0.087 0.000 0.969 58 K CB 0.844 33.288 32.500 -0.094 0.000 0.954 58 K HN 0.633 nan 8.250 nan 0.000 0.474 59 L N 2.916 124.034 121.223 -0.176 0.000 2.316 59 L HA -0.008 6.240 4.340 3.179 0.000 0.207 59 L C 0.927 177.729 176.870 -0.113 0.000 1.070 59 L CA 0.072 54.849 54.840 -0.106 0.000 0.820 59 L CB -0.088 41.916 42.059 -0.092 0.000 0.992 59 L HN 0.726 nan 8.230 nan 0.000 0.466 60 N N -0.627 117.973 118.700 -0.165 0.000 2.476 60 N HA 0.206 6.854 4.740 3.179 0.000 0.276 60 N C 0.297 175.719 175.510 -0.146 0.000 1.204 60 N CA -0.552 52.404 53.050 -0.157 0.000 0.974 60 N CB 1.298 39.674 38.487 -0.184 0.000 1.204 60 N HN -0.041 nan 8.380 nan 0.000 0.543 61 R N -0.334 120.077 120.500 -0.148 0.000 2.005 61 R HA 0.158 6.405 4.340 3.179 0.000 0.213 61 R C 0.149 176.374 176.300 -0.126 0.000 1.308 61 R CA 0.240 56.267 56.100 -0.122 0.000 1.022 61 R CB -0.262 29.969 30.300 -0.115 0.000 0.883 61 R HN 0.625 nan 8.270 nan 0.000 0.470 62 E N 1.492 121.602 120.200 -0.149 0.000 2.345 62 E HA 0.245 6.503 4.350 3.179 0.000 0.259 62 E C -2.235 174.282 176.600 -0.140 0.000 1.117 62 E CA -2.039 54.283 56.400 -0.131 0.000 0.913 62 E CB 0.113 29.732 29.700 -0.134 0.000 1.057 62 E HN 0.002 nan 8.360 nan 0.000 0.432 63 P HA 0.126 nan 4.420 nan 0.000 0.271 63 P C -0.267 176.976 177.300 -0.095 0.000 1.233 63 P CA 0.186 63.229 63.100 -0.094 0.000 0.789 63 P CB 0.406 32.068 31.700 -0.062 0.000 0.951 64 I N -2.532 117.992 120.570 -0.076 0.000 3.322 64 I HA 0.481 6.558 4.170 3.179 0.000 0.313 64 I C 0.239 176.346 176.117 -0.018 0.000 1.129 64 I CA -0.933 60.335 61.300 -0.054 0.000 0.963 64 I CB 2.062 40.018 38.000 -0.073 0.000 1.273 64 I HN -0.001 nan 8.210 nan 0.000 0.473 65 N N 0.331 119.034 118.700 0.005 0.000 2.333 65 N HA 0.113 6.760 4.740 3.179 0.000 0.183 65 N C -0.011 175.482 175.510 -0.028 0.000 1.030 65 N CA 1.249 54.301 53.050 0.003 0.000 0.867 65 N CB 0.264 38.756 38.487 0.007 0.000 1.027 65 N HN 0.860 nan 8.380 nan 0.000 0.435 66 S N -1.602 114.072 115.700 -0.044 0.000 2.724 66 S HA 0.580 6.958 4.470 3.179 0.000 0.278 66 S C -1.308 173.273 174.600 -0.032 0.000 1.190 66 S CA -0.855 57.324 58.200 -0.035 0.000 0.860 66 S CB 0.762 63.945 63.200 -0.029 0.000 1.206 66 S HN 0.088 nan 8.310 nan 0.000 0.507 67 V N -0.780 119.122 119.914 -0.019 0.000 2.864 67 V HA 0.719 6.746 4.120 3.179 0.000 0.314 67 V C -0.318 175.778 176.094 0.004 0.000 1.073 67 V CA -1.169 61.124 62.300 -0.012 0.000 0.956 67 V CB 1.098 32.914 31.823 -0.011 0.000 1.023 67 V HN 0.976 nan 8.190 nan 0.000 0.435 68 L N 1.527 122.754 121.223 0.006 0.000 2.464 68 L HA 0.337 6.584 4.340 3.179 0.000 0.264 68 L C -0.023 176.877 176.870 0.051 0.000 1.199 68 L CA -0.144 54.716 54.840 0.033 0.000 0.818 68 L CB 0.327 42.401 42.059 0.024 0.000 1.102 68 L HN 0.716 nan 8.230 nan 0.000 0.473 69 D N 2.884 123.335 120.400 0.085 0.000 2.358 69 D HA 0.177 6.724 4.640 3.179 0.000 0.258 69 D C -2.162 174.204 176.300 0.110 0.000 1.223 69 D CA -0.850 53.211 54.000 0.102 0.000 0.886 69 D CB 0.526 41.416 40.800 0.149 0.000 1.120 69 D HN 0.200 nan 8.370 nan 0.000 0.482 70 P HA 0.109 nan 4.420 nan 0.000 0.279 70 P C -0.391 177.028 177.300 0.197 0.000 1.252 70 P CA -0.330 62.832 63.100 0.103 0.000 0.811 70 P CB 1.028 32.754 31.700 0.043 0.000 1.035 71 H N 0.179 119.293 119.070 0.074 0.000 2.551 71 H HA 0.143 6.607 4.556 3.179 0.000 0.358 71 H C -0.017 175.386 175.328 0.126 0.000 1.151 71 H CA -0.470 55.655 56.048 0.128 0.000 1.374 71 H CB 0.364 30.206 29.762 0.132 0.000 1.473 71 H HN 0.369 nan 8.280 nan 0.000 0.574 72 Y N 0.814 121.154 120.300 0.068 0.000 2.802 72 Y HA -0.102 6.356 4.550 3.179 0.000 0.333 72 Y C 1.521 177.476 175.900 0.092 0.000 1.244 72 Y CA 1.836 59.978 58.100 0.069 0.000 1.558 72 Y CB 0.064 38.543 38.460 0.031 0.000 1.233 72 Y HN 1.039 nan 8.280 nan 0.000 0.547 73 G N 1.210 110.116 108.800 0.175 0.000 2.268 73 G HA2 -0.301 5.566 3.960 3.179 0.000 0.240 73 G HA3 -0.301 5.566 3.960 3.179 0.000 0.240 73 G C 0.051 175.019 174.900 0.113 0.000 1.010 73 G CA -0.195 44.994 45.100 0.149 0.000 0.618 73 G HN 1.185 nan 8.290 nan 0.000 0.516 74 V N 0.293 120.279 119.914 0.120 0.000 2.681 74 V HA 0.455 6.482 4.120 3.179 0.000 0.306 74 V C 1.516 177.651 176.094 0.068 0.000 1.077 74 V CA 0.897 63.255 62.300 0.097 0.000 1.224 74 V CB 0.832 32.715 31.823 0.100 0.000 0.879 74 V HN 1.447 nan 8.190 nan 0.000 0.494 75 G N 5.657 114.492 108.800 0.058 0.000 3.262 75 G HA2 0.302 6.170 3.960 3.179 0.000 0.222 75 G HA3 0.302 6.170 3.960 3.179 0.000 0.222 75 G C 0.530 175.451 174.900 0.036 0.000 1.269 75 G CA 0.106 45.234 45.100 0.046 0.000 1.032 75 G HN 1.207 nan 8.290 nan 0.000 0.502 76 R N -2.438 118.083 120.500 0.036 0.000 2.733 76 R HA 0.608 6.855 4.340 3.179 0.000 0.272 76 R C -2.222 174.092 176.300 0.024 0.000 1.029 76 R CA -0.738 55.378 56.100 0.027 0.000 0.888 76 R CB 1.095 31.411 30.300 0.025 0.000 1.251 76 R HN -0.098 nan 8.270 nan 0.000 0.464 77 V N 1.855 121.779 119.914 0.016 0.000 2.656 77 V HA 0.481 6.508 4.120 3.179 0.000 0.307 77 V C -0.224 175.877 176.094 0.011 0.000 1.051 77 V CA -1.000 61.307 62.300 0.011 0.000 0.893 77 V CB 2.069 33.892 31.823 0.000 0.000 0.999 77 V HN 0.566 nan 8.190 nan 0.000 0.426 78 I N 5.231 125.806 120.570 0.008 0.000 2.307 78 I HA 0.372 6.450 4.170 3.179 0.000 0.289 78 I C -0.091 176.029 176.117 0.005 0.000 1.021 78 I CA -0.109 61.192 61.300 0.001 0.000 1.224 78 I CB 1.197 39.180 38.000 -0.028 0.000 1.376 78 I HN 0.424 nan 8.210 nan 0.000 0.470 79 L N 6.508 127.756 121.223 0.042 0.000 2.371 79 L HA 0.431 6.678 4.340 3.179 0.000 0.272 79 L C -0.061 176.861 176.870 0.088 0.000 1.124 79 L CA -0.736 54.135 54.840 0.052 0.000 0.816 79 L CB 1.151 43.241 42.059 0.052 0.000 1.129 79 L HN 0.221 nan 8.230 nan 0.000 0.448 80 V N 3.313 123.249 119.914 0.036 0.000 2.357 80 V HA 0.476 6.503 4.120 3.179 0.000 0.284 80 V C -0.051 176.092 176.094 0.082 0.000 1.018 80 V CA -0.580 61.736 62.300 0.026 0.000 0.841 80 V CB 1.323 33.075 31.823 -0.117 0.000 0.991 80 V HN 0.707 nan 8.190 nan 0.000 0.437 81 R N 2.592 123.229 120.500 0.227 0.000 2.561 81 R HA 0.385 6.633 4.340 3.179 0.000 0.297 81 R C -1.016 175.461 176.300 0.295 0.000 0.969 81 R CA -0.701 55.526 56.100 0.210 0.000 0.879 81 R CB 1.632 31.986 30.300 0.091 0.000 1.178 81 R HN 0.760 nan 8.270 nan 0.000 0.445 82 D N 3.416 123.966 120.400 0.250 0.000 2.371 82 D HA 0.034 6.581 4.640 3.179 0.000 0.256 82 D C 0.123 176.467 176.300 0.073 0.000 1.193 82 D CA 0.038 54.105 54.000 0.112 0.000 0.881 82 D CB 1.395 42.218 40.800 0.037 0.000 1.143 82 D HN 0.281 nan 8.370 nan 0.000 0.473 83 V N 3.112 123.060 119.914 0.057 0.000 3.170 83 V HA 0.077 6.105 4.120 3.179 0.000 0.354 83 V C 1.099 177.202 176.094 0.016 0.000 1.350 83 V CA 0.533 62.871 62.300 0.063 0.000 1.244 83 V CB -0.646 31.233 31.823 0.093 0.000 1.222 83 V HN 0.662 nan 8.190 nan 0.000 0.478 84 S N -1.666 114.029 115.700 -0.010 0.000 3.093 84 S HA 0.385 6.762 4.470 3.179 0.000 0.251 84 S C 0.860 175.447 174.600 -0.021 0.000 0.905 84 S CA 0.675 58.863 58.200 -0.020 0.000 1.124 84 S CB 0.617 63.794 63.200 -0.038 0.000 1.124 84 S HN 0.846 nan 8.310 nan 0.000 0.574 85 K N 0.155 120.546 120.400 -0.014 0.000 3.547 85 K HA -0.031 6.196 4.320 3.179 0.000 0.309 85 K C 1.857 178.448 176.600 -0.015 0.000 1.324 85 K CA 1.876 58.155 56.287 -0.013 0.000 0.988 85 K CB -2.688 29.805 32.500 -0.011 0.000 1.261 85 K HN 2.332 nan 8.250 nan 0.000 0.444 86 G N -3.312 105.474 108.800 -0.022 0.000 2.370 86 G HA2 0.441 6.309 3.960 3.179 0.000 0.174 86 G HA3 0.441 6.309 3.960 3.179 0.000 0.174 86 G C 1.114 175.992 174.900 -0.036 0.000 1.002 86 G CA 1.089 46.176 45.100 -0.022 0.000 0.730 86 G HN 1.945 nan 8.290 nan 0.000 0.497 87 A N 0.696 123.485 122.820 -0.052 0.000 2.259 87 A HA 0.500 6.727 4.320 3.179 0.000 0.208 87 A C 1.453 178.972 177.584 -0.108 0.000 1.201 87 A CA 1.494 53.495 52.037 -0.059 0.000 0.824 87 A CB -0.378 18.594 19.000 -0.046 0.000 0.838 87 A HN 0.855 nan 8.150 nan 0.000 0.485 88 E N -3.145 116.948 120.200 -0.178 0.000 2.660 88 E HA -0.270 5.987 4.350 3.179 0.000 0.260 88 E C 0.366 176.656 176.600 -0.517 0.000 1.122 88 E CA 1.300 57.487 56.400 -0.354 0.000 0.755 88 E CB -2.609 27.023 29.700 -0.113 0.000 1.345 88 E HN 1.056 nan 8.360 nan 0.000 0.421 89 Q N 0.616 120.186 119.800 -0.383 0.000 2.509 89 Q HA 0.432 6.679 4.340 3.179 0.000 0.230 89 Q C -0.263 175.596 176.000 -0.236 0.000 1.089 89 Q CA -0.293 55.364 55.803 -0.243 0.000 0.901 89 Q CB -0.139 28.541 28.738 -0.097 0.000 1.208 89 Q HN 0.385 nan 8.270 nan 0.000 0.529 90 H N 0.325 119.408 119.070 0.023 0.000 2.509 90 H HA 0.834 7.297 4.556 3.179 0.000 0.359 90 H C 0.291 175.611 175.328 -0.013 0.000 1.253 90 H CA 0.244 56.307 56.048 0.025 0.000 1.373 90 H CB 1.834 31.611 29.762 0.025 0.000 1.555 90 H HN 0.822 nan 8.280 nan 0.000 0.586 91 A N 0.974 123.874 122.820 0.134 0.000 2.386 91 A HA 0.627 6.855 4.320 3.179 0.000 0.308 91 A C -1.123 176.352 177.584 -0.182 0.000 1.128 91 A CA -0.830 51.146 52.037 -0.103 0.000 0.789 91 A CB 1.047 19.908 19.000 -0.232 0.000 1.325 91 A HN 0.548 nan 8.150 nan 0.000 0.437 92 L N 0.563 121.537 121.223 -0.416 0.000 2.317 92 L HA 0.587 6.834 4.340 3.179 0.000 0.281 92 L C -1.542 174.999 176.870 -0.548 0.000 1.024 92 L CA -0.170 54.458 54.840 -0.353 0.000 0.810 92 L CB 1.257 43.091 42.059 -0.374 0.000 1.240 92 L HN 0.647 nan 8.230 nan 0.000 0.427 93 F N 2.099 121.997 119.950 -0.087 0.000 2.539 93 F HA 0.364 6.798 4.527 3.179 0.000 0.328 93 F C 0.169 175.933 175.800 -0.059 0.000 1.148 93 F CA -0.783 57.179 58.000 -0.062 0.000 0.940 93 F CB 1.709 40.679 39.000 -0.051 0.000 1.194 93 F HN 0.325 nan 8.300 nan 0.000 0.438 94 K N 2.931 123.384 120.400 0.089 0.000 2.249 94 K HA 0.682 6.909 4.320 3.179 0.000 0.280 94 K C -1.409 175.227 176.600 0.061 0.000 1.033 94 K CA -0.290 56.027 56.287 0.050 0.000 0.946 94 K CB 1.066 33.575 32.500 0.015 0.000 1.005 94 K HN 0.520 nan 8.250 nan 0.000 0.469 95 V N 4.168 124.104 119.914 0.036 0.000 2.482 95 V HA 0.161 6.188 4.120 3.179 0.000 0.295 95 V C -0.785 175.318 176.094 0.016 0.000 1.026 95 V CA -1.048 61.265 62.300 0.022 0.000 0.856 95 V CB 1.420 33.245 31.823 0.004 0.000 1.001 95 V HN 0.898 nan 8.190 nan 0.000 0.424 96 N N 2.193 120.902 118.700 0.016 0.000 2.497 96 N HA 0.148 6.796 4.740 3.179 0.000 0.268 96 N C 1.405 176.923 175.510 0.015 0.000 1.171 96 N CA 0.325 53.385 53.050 0.017 0.000 0.948 96 N CB 1.163 39.661 38.487 0.018 0.000 1.069 96 N HN 0.859 nan 8.380 nan 0.000 0.460 97 T N -1.893 112.672 114.554 0.018 0.000 3.051 97 T HA -0.099 6.158 4.350 3.179 0.000 0.269 97 T C 1.265 175.976 174.700 0.018 0.000 1.127 97 T CA 0.736 62.847 62.100 0.018 0.000 1.107 97 T CB -0.044 68.838 68.868 0.025 0.000 0.898 97 T HN 0.284 nan 8.240 nan 0.000 0.517 98 S N 1.213 116.924 115.700 0.018 0.000 2.501 98 S HA 0.198 6.576 4.470 3.179 0.000 0.220 98 S C 0.932 175.539 174.600 0.012 0.000 0.997 98 S CA -0.206 58.003 58.200 0.016 0.000 0.919 98 S CB 0.078 63.289 63.200 0.017 0.000 0.778 98 S HN 0.541 nan 8.310 nan 0.000 0.523 99 R N 1.853 122.359 120.500 0.010 0.000 2.748 99 R HA 0.270 6.517 4.340 3.179 0.000 0.283 99 R C -3.025 173.276 176.300 0.002 0.000 1.507 99 R CA -1.571 54.534 56.100 0.007 0.000 1.666 99 R CB 0.744 31.048 30.300 0.008 0.000 1.237 99 R HN 0.204 nan 8.270 nan 0.000 0.633 100 P HA 0.007 nan 4.420 nan 0.000 0.270 100 P C 0.817 178.107 177.300 -0.016 0.000 1.223 100 P CA 0.673 63.768 63.100 -0.009 0.000 0.785 100 P CB 0.893 32.591 31.700 -0.004 0.000 0.923 101 G N 0.492 109.272 108.800 -0.033 0.000 2.184 101 G HA2 -0.220 5.648 3.960 3.179 0.000 0.264 101 G HA3 -0.220 5.648 3.960 3.179 0.000 0.264 101 G C -0.221 174.660 174.900 -0.032 0.000 0.975 101 G CA -0.052 45.024 45.100 -0.039 0.000 0.642 101 G HN 0.645 nan 8.290 nan 0.000 0.536 102 E N 0.718 120.906 120.200 -0.020 0.000 2.182 102 E HA 0.444 6.701 4.350 3.179 0.000 0.258 102 E C -0.667 175.935 176.600 0.004 0.000 0.879 102 E CA -0.473 55.923 56.400 -0.008 0.000 0.754 102 E CB 1.284 30.985 29.700 0.001 0.000 1.162 102 E HN 0.549 nan 8.360 nan 0.000 0.419 103 E N 2.594 122.801 120.200 0.012 0.000 2.145 103 E HA 0.142 6.400 4.350 3.179 0.000 0.270 103 E C -0.765 175.906 176.600 0.118 0.000 0.906 103 E CA -0.530 55.904 56.400 0.056 0.000 0.761 103 E CB 2.089 31.787 29.700 -0.003 0.000 1.116 103 E HN 0.313 nan 8.360 nan 0.000 0.408 104 Q N 4.026 123.899 119.800 0.122 0.000 2.368 104 Q HA 0.186 6.433 4.340 3.179 0.000 0.256 104 Q C -0.526 175.535 176.000 0.102 0.000 0.980 104 Q CA -0.641 55.220 55.803 0.097 0.000 0.887 104 Q CB 0.942 29.706 28.738 0.043 0.000 1.221 104 Q HN 0.416 nan 8.270 nan 0.000 0.458 105 R N 3.766 124.317 120.500 0.085 0.000 2.590 105 R HA 0.137 6.384 4.340 3.179 0.000 0.274 105 R C -0.693 175.477 176.300 -0.216 0.000 1.061 105 R CA 0.008 55.978 56.100 -0.216 0.000 1.081 105 R CB 0.432 30.593 30.300 -0.233 0.000 0.984 105 R HN 0.635 nan 8.270 nan 0.000 0.448 106 L N 5.465 126.496 121.223 -0.321 0.000 2.352 106 L HA 0.186 6.433 4.340 3.179 0.000 0.272 106 L C 0.749 177.503 176.870 -0.193 0.000 1.109 106 L CA -0.097 54.619 54.840 -0.205 0.000 0.952 106 L CB 1.095 43.032 42.059 -0.202 0.000 1.314 106 L HN 0.805 nan 8.230 nan 0.000 0.427 107 E N 1.744 121.863 120.200 -0.134 0.000 2.347 107 E HA -0.120 6.137 4.350 3.179 0.000 0.196 107 E C 1.969 178.520 176.600 -0.081 0.000 1.008 107 E CA 0.828 57.162 56.400 -0.110 0.000 0.852 107 E CB 0.292 29.948 29.700 -0.073 0.000 0.783 107 E HN 0.805 nan 8.360 nan 0.000 0.505 108 A N 1.280 124.060 122.820 -0.065 0.000 2.067 108 A HA -0.050 6.178 4.320 3.179 0.000 0.219 108 A C 1.374 178.931 177.584 -0.045 0.000 1.158 108 A CA 0.565 52.579 52.037 -0.038 0.000 0.661 108 A CB 0.065 19.056 19.000 -0.015 0.000 0.801 108 A HN 0.045 nan 8.150 nan 0.000 0.452 109 V N 2.511 122.380 119.914 -0.076 0.000 2.320 109 V HA 0.152 6.180 4.120 3.179 0.000 0.265 109 V C 0.436 176.466 176.094 -0.107 0.000 1.048 109 V CA -0.785 61.463 62.300 -0.087 0.000 0.865 109 V CB 0.314 32.063 31.823 -0.123 0.000 1.043 109 V HN 0.646 nan 8.190 nan 0.000 0.474 110 K N 6.028 126.378 120.400 -0.083 0.000 2.336 110 K HA 0.257 6.484 4.320 3.179 0.000 0.262 110 K C -2.559 174.005 176.600 -0.060 0.000 0.992 110 K CA -1.093 55.155 56.287 -0.065 0.000 0.927 110 K CB -0.036 32.440 32.500 -0.041 0.000 0.956 110 K HN 0.313 nan 8.250 nan 0.000 0.495 111 P HA 0.007 nan 4.420 nan 0.000 0.268 111 P C -0.701 176.599 177.300 -0.000 0.000 1.205 111 P CA 0.098 63.182 63.100 -0.026 0.000 0.771 111 P CB 0.555 32.241 31.700 -0.023 0.000 0.858 112 M N -0.454 119.166 119.600 0.033 0.000 2.895 112 M HA 0.419 6.807 4.480 3.179 0.000 0.271 112 M C -1.138 175.246 176.300 0.139 0.000 1.174 112 M CA -1.176 54.168 55.300 0.073 0.000 0.816 112 M CB 2.041 34.697 32.600 0.093 0.000 1.647 112 M HN -0.078 nan 8.290 nan 0.000 0.506 113 R N 1.996 122.592 120.500 0.159 0.000 2.387 113 R HA 0.351 6.598 4.340 3.179 0.000 0.321 113 R C -0.810 175.668 176.300 0.298 0.000 1.174 113 R CA -0.309 55.934 56.100 0.238 0.000 1.002 113 R CB 0.010 30.411 30.300 0.168 0.000 1.028 113 R HN 0.556 nan 8.270 nan 0.000 0.482 114 I N 6.677 127.484 120.570 0.396 0.000 2.533 114 I HA -0.071 6.007 4.170 3.179 0.000 0.284 114 I C 1.107 177.272 176.117 0.081 0.000 1.109 114 I CA 0.375 61.779 61.300 0.173 0.000 1.412 114 I CB 1.143 39.129 38.000 -0.023 0.000 1.396 114 I HN 0.790 nan 8.210 nan 0.000 0.543 115 L N 4.927 126.211 121.223 0.102 0.000 2.500 115 L HA 0.123 6.370 4.340 3.179 0.000 0.219 115 L C 0.559 177.502 176.870 0.122 0.000 1.057 115 L CA 0.322 55.177 54.840 0.025 0.000 0.854 115 L CB 0.150 42.096 42.059 -0.190 0.000 1.078 115 L HN 0.826 nan 8.230 nan 0.000 0.480 116 S N -1.440 114.358 115.700 0.164 0.000 2.633 116 S HA 0.707 7.084 4.470 3.179 0.000 0.271 116 S C -0.785 173.961 174.600 0.243 0.000 1.112 116 S CA -0.185 58.153 58.200 0.230 0.000 0.828 116 S CB 1.361 64.754 63.200 0.321 0.000 1.086 116 S HN 0.174 nan 8.310 nan 0.000 0.461 117 G N -0.259 108.674 108.800 0.221 0.000 2.442 117 G HA2 0.543 6.410 3.960 3.179 0.000 0.296 117 G HA3 0.543 6.410 3.960 3.179 0.000 0.296 117 G C -2.095 172.909 174.900 0.174 0.000 1.564 117 G CA -0.195 45.044 45.100 0.233 0.000 0.828 117 G HN 1.395 nan 8.290 nan 0.000 0.571 118 V N 0.879 120.895 119.914 0.169 0.000 2.638 118 V HA 0.589 6.616 4.120 3.179 0.000 0.306 118 V C -1.212 174.931 176.094 0.082 0.000 1.052 118 V CA -0.639 61.737 62.300 0.127 0.000 0.885 118 V CB 2.098 33.998 31.823 0.128 0.000 0.999 118 V HN 0.841 nan 8.190 nan 0.000 0.424 119 D N 2.417 122.849 120.400 0.053 0.000 2.427 119 D HA 0.282 6.829 4.640 3.179 0.000 0.226 119 D C 1.230 177.493 176.300 -0.063 0.000 1.076 119 D CA 0.083 54.094 54.000 0.017 0.000 0.849 119 D CB 1.839 42.660 40.800 0.036 0.000 1.052 119 D HN 0.679 nan 8.370 nan 0.000 0.515 120 T N 0.818 115.276 114.554 -0.161 0.000 3.072 120 T HA 0.209 6.466 4.350 3.179 0.000 0.266 120 T C 1.569 176.224 174.700 -0.075 0.000 1.127 120 T CA 0.817 62.713 62.100 -0.340 0.000 1.107 120 T CB -0.026 68.665 68.868 -0.295 0.000 0.910 120 T HN 0.618 nan 8.240 nan 0.000 0.513 121 G N 0.912 109.710 108.800 -0.004 0.000 2.358 121 G HA2 -0.268 5.600 3.960 3.179 0.000 0.224 121 G HA3 -0.268 5.600 3.960 3.179 0.000 0.224 121 G C 0.860 175.777 174.900 0.028 0.000 1.073 121 G CA 0.400 45.523 45.100 0.038 0.000 0.635 121 G HN 0.502 nan 8.290 nan 0.000 0.509 122 E N 0.655 120.866 120.200 0.017 0.000 2.307 122 E HA 0.649 6.906 4.350 3.179 0.000 0.195 122 E C 1.072 177.684 176.600 0.021 0.000 0.975 122 E CA 1.291 57.704 56.400 0.021 0.000 0.878 122 E CB 0.700 30.413 29.700 0.023 0.000 0.845 122 E HN 1.181 nan 8.360 nan 0.000 0.488 123 A N -0.583 122.246 122.820 0.016 0.000 2.566 123 A HA 0.655 6.882 4.320 3.179 0.000 0.292 123 A C -1.346 176.268 177.584 0.050 0.000 1.112 123 A CA -0.657 51.403 52.037 0.037 0.000 0.707 123 A CB 1.677 20.703 19.000 0.043 0.000 1.302 123 A HN -0.084 nan 8.150 nan 0.000 0.409 124 V N 1.315 121.289 119.914 0.099 0.000 2.357 124 V HA 0.458 6.485 4.120 3.179 0.000 0.284 124 V C -0.565 175.705 176.094 0.294 0.000 1.018 124 V CA -0.411 61.980 62.300 0.152 0.000 0.841 124 V CB 1.210 33.098 31.823 0.109 0.000 0.991 124 V HN 0.626 nan 8.190 nan 0.000 0.437 125 V N 7.248 127.320 119.914 0.262 0.000 2.417 125 V HA 0.680 6.707 4.120 3.179 0.000 0.291 125 V C -0.413 175.905 176.094 0.373 0.000 1.024 125 V CA -0.409 62.042 62.300 0.251 0.000 0.861 125 V CB 1.133 33.036 31.823 0.135 0.000 0.985 125 V HN 0.805 nan 8.190 nan 0.000 0.436 126 F N 1.812 121.852 119.950 0.151 0.000 2.662 126 F HA 0.874 7.308 4.527 3.179 0.000 0.312 126 F C -0.263 175.667 175.800 0.217 0.000 1.113 126 F CA -0.862 57.236 58.000 0.162 0.000 0.951 126 F CB 1.872 40.945 39.000 0.121 0.000 1.344 126 F HN 0.419 nan 8.300 nan 0.000 0.462 127 T N -0.949 113.785 114.554 0.301 0.000 2.888 127 T HA 0.903 7.161 4.350 3.179 0.000 0.284 127 T C -0.431 174.450 174.700 0.301 0.000 1.017 127 T CA -0.405 61.809 62.100 0.191 0.000 1.022 127 T CB 1.420 70.359 68.868 0.119 0.000 1.013 127 T HN 1.531 nan 8.240 nan 0.000 0.465 128 G N -0.111 108.867 108.800 0.296 0.000 2.703 128 G HA2 0.686 6.553 3.960 3.179 0.000 0.294 128 G HA3 0.686 6.553 3.960 3.179 0.000 0.294 128 G C -1.444 173.627 174.900 0.286 0.000 1.451 128 G CA -0.602 44.695 45.100 0.330 0.000 0.869 128 G HN 1.061 nan 8.290 nan 0.000 0.516 129 A N 0.628 123.598 122.820 0.249 0.000 2.304 129 A HA 0.903 7.130 4.320 3.179 0.000 0.323 129 A C 0.597 178.288 177.584 0.177 0.000 1.195 129 A CA 0.223 52.393 52.037 0.222 0.000 0.826 129 A CB 1.005 20.188 19.000 0.305 0.000 1.184 129 A HN 1.689 nan 8.150 nan 0.000 0.496 130 T N -1.460 113.179 114.554 0.142 0.000 2.844 130 T HA 0.411 6.669 4.350 3.179 0.000 0.274 130 T C 0.926 175.671 174.700 0.075 0.000 0.991 130 T CA 0.361 62.524 62.100 0.105 0.000 0.983 130 T CB 1.051 69.984 68.868 0.107 0.000 1.310 130 T HN 0.389 nan 8.240 nan 0.000 0.596 131 E N 0.608 120.840 120.200 0.053 0.000 2.153 131 E HA -0.110 6.148 4.350 3.179 0.000 0.194 131 E C 1.105 177.721 176.600 0.026 0.000 0.988 131 E CA 1.697 58.120 56.400 0.038 0.000 0.811 131 E CB -0.673 29.043 29.700 0.027 0.000 0.746 131 E HN 0.848 nan 8.360 nan 0.000 0.466 132 D N -1.323 119.090 120.400 0.022 0.000 2.479 132 D HA 0.088 6.635 4.640 3.179 0.000 0.218 132 D C 0.630 176.921 176.300 -0.014 0.000 1.177 132 D CA -0.323 53.678 54.000 0.002 0.000 0.830 132 D CB -0.118 40.683 40.800 0.001 0.000 1.014 132 D HN 0.409 nan 8.370 nan 0.000 0.503 133 R N -1.957 118.539 120.500 -0.007 0.000 2.829 133 R HA 0.507 6.755 4.340 3.179 0.000 0.283 133 R C -2.127 174.162 176.300 -0.019 0.000 1.013 133 R CA -0.924 55.153 56.100 -0.038 0.000 0.848 133 R CB 0.347 30.617 30.300 -0.050 0.000 1.291 133 R HN -0.161 nan 8.270 nan 0.000 0.496 134 V N 0.249 120.122 119.914 -0.069 0.000 2.581 134 V HA 0.899 6.926 4.120 3.179 0.000 0.303 134 V C -0.302 175.726 176.094 -0.110 0.000 1.041 134 V CA -0.171 62.110 62.300 -0.032 0.000 0.907 134 V CB 1.369 33.166 31.823 -0.042 0.000 0.994 134 V HN 0.984 nan 8.190 nan 0.000 0.442 135 A N 3.771 126.508 122.820 -0.137 0.000 2.574 135 A HA 0.816 7.043 4.320 3.179 0.000 0.297 135 A C -1.529 175.773 177.584 -0.469 0.000 1.062 135 A CA -0.574 51.224 52.037 -0.398 0.000 0.686 135 A CB 1.647 20.248 19.000 -0.666 0.000 1.285 135 A HN 0.881 nan 8.150 nan 0.000 0.403 136 L N 1.723 122.656 121.223 -0.483 0.000 2.275 136 L HA 0.758 7.005 4.340 3.179 0.000 0.288 136 L C -1.439 175.087 176.870 -0.573 0.000 1.046 136 L CA 0.054 54.681 54.840 -0.355 0.000 0.805 136 L CB 0.260 42.236 42.059 -0.137 0.000 1.193 136 L HN 0.619 nan 8.230 nan 0.000 0.426 137 Y N 3.471 123.501 120.300 -0.450 0.000 2.562 137 Y HA 0.824 7.281 4.550 3.179 0.000 0.343 137 Y C 0.049 175.715 175.900 -0.392 0.000 1.025 137 Y CA -0.716 57.064 58.100 -0.534 0.000 1.082 137 Y CB 2.071 39.925 38.460 -1.010 0.000 1.264 137 Y HN 0.706 nan 8.280 nan 0.000 0.478 138 A N 2.086 124.906 122.820 0.001 0.000 2.393 138 A HA 0.750 6.977 4.320 3.179 0.000 0.306 138 A C -2.159 175.515 177.584 0.149 0.000 1.050 138 A CA -0.608 51.479 52.037 0.084 0.000 0.724 138 A CB 1.306 20.341 19.000 0.057 0.000 1.248 138 A HN 0.643 nan 8.150 nan 0.000 0.424 139 L N 2.731 124.082 121.223 0.212 0.000 2.356 139 L HA 0.834 7.081 4.340 3.179 0.000 0.277 139 L C -1.021 175.911 176.870 0.103 0.000 0.996 139 L CA -0.065 54.878 54.840 0.171 0.000 0.822 139 L CB 1.657 43.847 42.059 0.218 0.000 1.256 139 L HN 0.911 nan 8.230 nan 0.000 0.413 140 D N 1.899 122.341 120.400 0.070 0.000 2.759 140 D HA 0.412 6.959 4.640 3.179 0.000 0.321 140 D C 0.872 177.194 176.300 0.035 0.000 1.267 140 D CA -0.171 53.857 54.000 0.048 0.000 0.933 140 D CB 0.446 41.272 40.800 0.043 0.000 1.431 140 D HN 0.470 nan 8.370 nan 0.000 0.504 141 G N -0.897 107.920 108.800 0.028 0.000 2.550 141 G HA2 -0.103 5.764 3.960 3.179 0.000 0.222 141 G HA3 -0.103 5.764 3.960 3.179 0.000 0.222 141 G C 1.110 176.022 174.900 0.020 0.000 1.113 141 G CA 0.844 45.957 45.100 0.021 0.000 0.748 141 G HN 0.703 nan 8.290 nan 0.000 0.585 142 G N -0.522 108.292 108.800 0.023 0.000 3.448 142 G HA2 0.532 6.400 3.960 3.179 0.000 0.261 142 G HA3 0.532 6.400 3.960 3.179 0.000 0.261 142 G C 0.768 175.683 174.900 0.024 0.000 1.173 142 G CA 0.476 45.588 45.100 0.021 0.000 0.835 142 G HN 1.311 nan 8.290 nan 0.000 0.534 143 G N -0.554 108.263 108.800 0.028 0.000 2.660 143 G HA2 0.045 5.912 3.960 3.179 0.000 0.247 143 G HA3 0.045 5.912 3.960 3.179 0.000 0.247 143 G C -0.760 174.170 174.900 0.050 0.000 1.328 143 G CA -0.409 44.710 45.100 0.032 0.000 0.884 143 G HN 0.826 nan 8.290 nan 0.000 0.531 144 L N 0.666 121.922 121.223 0.055 0.000 2.326 144 L HA 0.824 7.071 4.340 3.179 0.000 0.278 144 L C 0.776 177.699 176.870 0.089 0.000 1.092 144 L CA -0.258 54.632 54.840 0.084 0.000 0.810 144 L CB 0.870 42.971 42.059 0.070 0.000 1.153 144 L HN 0.706 nan 8.230 nan 0.000 0.439 145 R N 3.195 123.760 120.500 0.108 0.000 2.750 145 R HA 0.411 6.659 4.340 3.179 0.000 0.281 145 R C -1.110 175.252 176.300 0.103 0.000 0.972 145 R CA -0.807 55.343 56.100 0.084 0.000 0.912 145 R CB 1.809 32.133 30.300 0.040 0.000 1.187 145 R HN 0.575 nan 8.270 nan 0.000 0.464 146 E N 3.095 123.310 120.200 0.025 0.000 2.046 146 E HA 0.105 6.363 4.350 3.179 0.000 0.279 146 E C 0.478 176.985 176.600 -0.156 0.000 0.989 146 E CA -0.157 56.148 56.400 -0.158 0.000 0.798 146 E CB 0.690 30.286 29.700 -0.174 0.000 1.086 146 E HN 0.542 nan 8.360 nan 0.000 0.399 147 L N 3.007 124.124 121.223 -0.176 0.000 2.056 147 L HA 0.084 6.331 4.340 3.179 0.000 0.207 147 L C 0.829 177.615 176.870 -0.141 0.000 1.078 147 L CA 0.809 55.579 54.840 -0.116 0.000 0.749 147 L CB -0.114 41.901 42.059 -0.075 0.000 0.901 147 L HN 0.465 nan 8.230 nan 0.000 0.433 148 A N -1.210 121.479 122.820 -0.219 0.000 2.555 148 A HA 0.472 6.699 4.320 3.179 0.000 0.297 148 A C -0.819 176.592 177.584 -0.287 0.000 1.060 148 A CA -0.516 51.390 52.037 -0.220 0.000 0.710 148 A CB 1.251 20.137 19.000 -0.190 0.000 1.282 148 A HN -0.129 nan 8.150 nan 0.000 0.399 149 R N 1.515 121.865 120.500 -0.250 0.000 2.438 149 R HA 0.623 6.870 4.340 3.179 0.000 0.287 149 R C -0.466 175.655 176.300 -0.297 0.000 1.077 149 R CA 0.024 55.974 56.100 -0.250 0.000 1.034 149 R CB -0.104 30.079 30.300 -0.194 0.000 0.993 149 R HN 0.640 nan 8.270 nan 0.000 0.459 150 L N 5.581 126.621 121.223 -0.305 0.000 2.331 150 L HA 0.471 6.718 4.340 3.179 0.000 0.275 150 L C -1.258 175.374 176.870 -0.395 0.000 1.022 150 L CA -2.337 52.254 54.840 -0.416 0.000 0.812 150 L CB 2.187 44.081 42.059 -0.276 0.000 1.257 150 L HN 0.554 nan 8.230 nan 0.000 0.435 151 P HA 0.017 nan 4.420 nan 0.000 0.221 151 P C 0.390 177.606 177.300 -0.141 0.000 1.150 151 P CA 0.473 63.342 63.100 -0.386 0.000 0.800 151 P CB 0.393 31.786 31.700 -0.512 0.000 0.787 152 G N -2.305 106.530 108.800 0.058 0.000 2.782 152 G HA2 0.446 6.313 3.960 3.179 0.000 0.304 152 G HA3 0.446 6.313 3.960 3.179 0.000 0.304 152 G C -1.401 173.596 174.900 0.161 0.000 1.315 152 G CA -0.715 44.441 45.100 0.093 0.000 0.791 152 G HN -0.207 nan 8.290 nan 0.000 0.519 153 F N 0.816 120.929 119.950 0.271 0.000 2.607 153 F HA 0.460 6.895 4.527 3.180 0.000 0.374 153 F C 1.203 177.158 175.800 0.257 0.000 1.104 153 F CA 0.856 58.952 58.000 0.159 0.000 1.296 153 F CB 0.790 39.853 39.000 0.104 0.000 1.085 153 F HN 0.527 nan 8.300 nan 0.000 0.584 154 G N 2.355 111.285 108.800 0.215 0.000 2.612 154 G HA2 0.701 6.568 3.960 3.179 0.000 0.298 154 G HA3 0.701 6.568 3.960 3.179 0.000 0.298 154 G C -2.096 172.803 174.900 -0.002 0.000 1.336 154 G CA -0.685 44.591 45.100 0.293 0.000 0.953 154 G HN 0.289 nan 8.290 nan 0.000 0.482 155 F N 0.358 120.570 119.950 0.436 0.000 2.547 155 F HA 0.453 6.887 4.527 3.178 0.000 0.316 155 F C 0.196 176.139 175.800 0.237 0.000 1.121 155 F CA -1.044 57.139 58.000 0.306 0.000 0.911 155 F CB 2.360 41.497 39.000 0.228 0.000 1.179 155 F HN 0.248 nan 8.300 nan 0.000 0.443 156 V N 2.643 122.766 119.914 0.349 0.000 2.508 156 V HA 0.165 6.192 4.120 3.179 0.000 0.281 156 V C 0.402 176.588 176.094 0.153 0.000 1.041 156 V CA 0.347 62.767 62.300 0.199 0.000 1.016 156 V CB 1.032 32.978 31.823 0.206 0.000 0.984 156 V HN 0.992 nan 8.190 nan 0.000 0.478 157 S N 2.283 118.009 115.700 0.044 0.000 2.502 157 S HA 0.154 6.532 4.470 3.179 0.000 0.228 157 S C 0.258 174.894 174.600 0.060 0.000 1.061 157 S CA 0.162 58.389 58.200 0.046 0.000 0.935 157 S CB 0.215 63.388 63.200 -0.044 0.000 0.809 157 S HN 0.915 nan 8.310 nan 0.000 0.510 158 D N -0.862 119.559 120.400 0.035 0.000 2.622 158 D HA 0.505 7.053 4.640 3.179 0.000 0.255 158 D C -1.804 174.547 176.300 0.085 0.000 1.246 158 D CA -0.465 53.587 54.000 0.088 0.000 0.795 158 D CB 1.230 42.065 40.800 0.058 0.000 1.369 158 D HN 0.002 nan 8.370 nan 0.000 0.425 159 I N 1.195 121.862 120.570 0.161 0.000 2.686 159 I HA 0.534 6.611 4.170 3.179 0.000 0.295 159 I C -0.640 175.601 176.117 0.206 0.000 1.114 159 I CA -0.846 60.530 61.300 0.127 0.000 1.038 159 I CB 2.527 40.559 38.000 0.053 0.000 1.238 159 I HN 0.240 nan 8.210 nan 0.000 0.420 160 R N 3.501 124.072 120.500 0.119 0.000 2.515 160 R HA 0.527 6.775 4.340 3.179 0.000 0.278 160 R C 0.156 176.492 176.300 0.061 0.000 1.107 160 R CA 0.374 56.542 56.100 0.114 0.000 0.945 160 R CB 1.883 32.210 30.300 0.046 0.000 1.219 160 R HN 0.930 nan 8.270 nan 0.000 0.434 161 G N 3.566 112.405 108.800 0.066 0.000 2.634 161 G HA2 -0.361 5.506 3.960 3.179 0.000 0.309 161 G HA3 -0.361 5.506 3.960 3.179 0.000 0.309 161 G C 0.172 175.092 174.900 0.035 0.000 1.265 161 G CA 0.598 45.721 45.100 0.040 0.000 0.998 161 G HN 0.714 nan 8.290 nan 0.000 0.551 162 D N 0.162 120.577 120.400 0.026 0.000 2.340 162 D HA 0.166 6.714 4.640 3.179 0.000 0.220 162 D C 1.000 177.318 176.300 0.031 0.000 1.039 162 D CA 0.125 54.141 54.000 0.027 0.000 0.866 162 D CB 0.165 40.978 40.800 0.023 0.000 0.913 162 D HN 0.235 nan 8.370 nan 0.000 0.523 163 L N 1.561 122.801 121.223 0.028 0.000 2.281 163 L HA 0.303 6.550 4.340 3.179 0.000 0.285 163 L C -0.490 176.398 176.870 0.031 0.000 1.074 163 L CA -0.107 54.749 54.840 0.027 0.000 0.817 163 L CB 0.549 42.612 42.059 0.007 0.000 1.168 163 L HN -0.191 nan 8.230 nan 0.000 0.434 164 I N 5.348 125.944 120.570 0.045 0.000 2.377 164 I HA 0.615 6.693 4.170 3.179 0.000 0.293 164 I C -0.056 176.056 176.117 -0.008 0.000 0.987 164 I CA -0.459 60.867 61.300 0.044 0.000 1.185 164 I CB 1.612 39.667 38.000 0.092 0.000 1.341 164 I HN 0.761 nan 8.210 nan 0.000 0.455 165 A N 4.671 127.438 122.820 -0.089 0.000 2.343 165 A HA 0.912 7.139 4.320 3.179 0.000 0.316 165 A C -0.234 177.108 177.584 -0.402 0.000 1.104 165 A CA -0.397 51.497 52.037 -0.238 0.000 0.768 165 A CB 1.447 20.332 19.000 -0.191 0.000 1.213 165 A HN 0.831 nan 8.150 nan 0.000 0.456 166 G N 0.087 108.355 108.800 -0.887 0.000 2.866 166 G HA2 0.636 6.503 3.960 3.179 0.000 0.289 166 G HA3 0.636 6.503 3.960 3.179 0.000 0.289 166 G C -1.609 172.833 174.900 -0.763 0.000 1.396 166 G CA -0.707 43.790 45.100 -1.004 0.000 0.848 166 G HN 0.726 nan 8.290 nan 0.000 0.515 167 L N 0.640 121.734 121.223 -0.215 0.000 2.372 167 L HA 0.620 6.867 4.340 3.179 0.000 0.274 167 L C 0.456 177.442 176.870 0.192 0.000 0.988 167 L CA -0.771 54.072 54.840 0.005 0.000 0.833 167 L CB 2.127 44.179 42.059 -0.012 0.000 1.236 167 L HN 0.696 nan 8.230 nan 0.000 0.410 168 G N 1.251 109.936 108.800 -0.191 0.000 2.371 168 G HA2 0.529 6.397 3.960 3.179 0.000 0.326 168 G HA3 0.529 6.397 3.960 3.179 0.000 0.326 168 G C -0.811 173.703 174.900 -0.643 0.000 1.127 168 G CA -0.326 44.104 45.100 -1.116 0.000 0.885 168 G HN 0.392 nan 8.290 nan 0.000 0.477 169 F N 2.424 122.263 119.950 -0.185 0.000 2.606 169 F HA 0.306 6.741 4.527 3.180 0.000 0.347 169 F C 0.860 176.788 175.800 0.214 0.000 1.207 169 F CA -0.331 57.727 58.000 0.095 0.000 1.306 169 F CB -0.037 39.145 39.000 0.303 0.000 1.657 169 F HN 0.494 nan 8.300 nan 0.000 0.606 170 F N 0.494 120.579 119.950 0.224 0.000 2.765 170 F HA 0.366 6.800 4.527 3.179 0.000 0.302 170 F C 1.315 177.173 175.800 0.096 0.000 1.111 170 F CA -0.056 58.023 58.000 0.132 0.000 1.359 170 F CB 0.162 39.218 39.000 0.093 0.000 1.097 170 F HN 0.335 nan 8.300 nan 0.000 0.577 171 G N -0.803 108.163 108.800 0.278 0.000 2.375 171 G HA2 0.294 6.162 3.960 3.179 0.000 0.663 171 G HA3 0.294 6.162 3.960 3.179 0.000 0.663 171 G C 0.160 175.139 174.900 0.133 0.000 1.391 171 G CA -0.526 44.682 45.100 0.180 0.000 0.949 171 G HN 0.588 nan 8.290 nan 0.000 0.646 172 G N -1.024 107.835 108.800 0.100 0.000 2.160 172 G HA2 0.382 6.249 3.960 3.179 0.000 0.244 172 G HA3 0.382 6.249 3.960 3.179 0.000 0.244 172 G C 2.186 177.119 174.900 0.055 0.000 1.022 172 G CA 1.080 46.220 45.100 0.067 0.000 0.741 172 G HN 3.003 nan 8.290 nan 0.000 0.508 173 G N -2.381 106.468 108.800 0.081 0.000 2.200 173 G HA2 0.239 6.106 3.960 3.179 0.000 0.267 173 G HA3 0.239 6.106 3.960 3.179 0.000 0.267 173 G C 0.532 175.448 174.900 0.028 0.000 0.993 173 G CA 1.971 47.114 45.100 0.071 0.000 0.701 173 G HN 2.321 nan 8.290 nan 0.000 0.524 174 R N -0.859 119.644 120.500 0.006 0.000 2.686 174 R HA 0.828 7.075 4.340 3.179 0.000 0.286 174 R C -0.165 176.068 176.300 -0.112 0.000 0.969 174 R CA -0.000 56.063 56.100 -0.060 0.000 0.898 174 R CB 1.474 31.744 30.300 -0.050 0.000 1.183 174 R HN 0.909 nan 8.270 nan 0.000 0.456 175 V N 2.707 122.491 119.914 -0.217 0.000 2.455 175 V HA 0.343 6.370 4.120 3.179 0.000 0.273 175 V C 0.376 176.459 176.094 -0.019 0.000 1.045 175 V CA -0.309 61.817 62.300 -0.291 0.000 0.976 175 V CB 1.145 32.742 31.823 -0.376 0.000 0.993 175 V HN 0.976 nan 8.190 nan 0.000 0.475 176 S N 4.781 120.501 115.700 0.033 0.000 2.654 176 S HA 0.640 7.018 4.470 3.179 0.000 0.283 176 S C -0.343 174.431 174.600 0.289 0.000 1.180 176 S CA -0.546 57.827 58.200 0.288 0.000 1.021 176 S CB 1.637 65.016 63.200 0.299 0.000 1.018 176 S HN 0.532 nan 8.310 nan 0.000 0.532 177 L N 2.787 124.189 121.223 0.297 0.000 2.350 177 L HA 0.621 6.868 4.340 3.179 0.000 0.275 177 L C -0.768 176.324 176.870 0.370 0.000 1.099 177 L CA -0.014 54.803 54.840 -0.038 0.000 0.808 177 L CB 0.126 41.836 42.059 -0.582 0.000 1.149 177 L HN 0.639 nan 8.230 nan 0.000 0.442 178 F N 0.833 120.914 119.950 0.219 0.000 2.613 178 F HA 0.897 7.331 4.527 3.179 0.000 0.314 178 F C -0.640 175.323 175.800 0.272 0.000 1.075 178 F CA -0.592 57.617 58.000 0.348 0.000 0.945 178 F CB 1.462 40.711 39.000 0.415 0.000 1.310 178 F HN 0.528 nan 8.300 nan 0.000 0.467 179 T N -0.685 114.200 114.554 0.551 0.000 2.907 179 T HA 0.741 6.998 4.350 3.179 0.000 0.292 179 T C -0.907 174.014 174.700 0.368 0.000 1.043 179 T CA -0.689 61.614 62.100 0.338 0.000 1.003 179 T CB 1.561 70.605 68.868 0.294 0.000 1.084 179 T HN 0.972 nan 8.240 nan 0.000 0.483 180 S N 0.633 116.487 115.700 0.257 0.000 2.732 180 S HA 0.621 6.999 4.470 3.179 0.000 0.293 180 S C -1.606 173.059 174.600 0.108 0.000 1.159 180 S CA -0.868 57.438 58.200 0.177 0.000 0.847 180 S CB 1.607 64.917 63.200 0.184 0.000 1.169 180 S HN 0.814 nan 8.310 nan 0.000 0.501 181 N N 1.607 120.349 118.700 0.071 0.000 2.354 181 N HA 0.315 6.962 4.740 3.179 0.000 0.287 181 N C 0.318 175.850 175.510 0.037 0.000 1.016 181 N CA -0.357 52.722 53.050 0.049 0.000 0.871 181 N CB 1.709 40.219 38.487 0.037 0.000 1.299 181 N HN 0.538 nan 8.380 nan 0.000 0.482 182 L N 3.721 124.965 121.223 0.036 0.000 2.131 182 L HA -0.114 6.133 4.340 3.179 0.000 0.210 182 L C 2.001 178.885 176.870 0.023 0.000 1.092 182 L CA 1.853 56.712 54.840 0.030 0.000 0.759 182 L CB -0.328 41.749 42.059 0.030 0.000 0.903 182 L HN 0.654 nan 8.230 nan 0.000 0.435 183 S N -2.068 113.644 115.700 0.020 0.000 2.355 183 S HA -0.069 6.309 4.470 3.179 0.000 0.216 183 S C 1.868 176.475 174.600 0.010 0.000 1.037 183 S CA 0.713 58.922 58.200 0.015 0.000 0.955 183 S CB -0.785 62.423 63.200 0.015 0.000 0.877 183 S HN 0.548 nan 8.310 nan 0.000 0.488 184 S N 1.029 116.735 115.700 0.010 0.000 2.524 184 S HA 0.504 6.882 4.470 3.179 0.000 0.216 184 S C 1.337 175.935 174.600 -0.003 0.000 0.987 184 S CA 0.374 58.576 58.200 0.003 0.000 0.909 184 S CB -0.708 62.494 63.200 0.004 0.000 0.781 184 S HN 1.298 nan 8.310 nan 0.000 0.521 185 G N 0.862 109.663 108.800 0.001 0.000 2.553 185 G HA2 0.311 6.178 3.960 3.179 0.000 0.242 185 G HA3 0.311 6.178 3.960 3.179 0.000 0.242 185 G C 0.441 175.337 174.900 -0.008 0.000 1.277 185 G CA -0.289 44.805 45.100 -0.009 0.000 0.910 185 G HN 2.101 nan 8.290 nan 0.000 0.576 186 G N -2.484 106.297 108.800 -0.031 0.000 2.781 186 G HA2 0.402 6.269 3.960 3.179 0.000 0.683 186 G HA3 0.402 6.269 3.960 3.179 0.000 0.683 186 G C -0.744 174.142 174.900 -0.023 0.000 1.390 186 G CA 0.311 45.389 45.100 -0.037 0.000 0.850 186 G HN 2.232 nan 8.290 nan 0.000 0.557 187 L N -0.237 120.959 121.223 -0.046 0.000 2.401 187 L HA 0.979 7.227 4.340 3.179 0.000 0.266 187 L C -0.247 176.603 176.870 -0.032 0.000 0.991 187 L CA -1.105 53.714 54.840 -0.034 0.000 0.818 187 L CB 2.145 44.112 42.059 -0.153 0.000 1.321 187 L HN 1.139 nan 8.230 nan 0.000 0.413 188 R N 3.432 123.950 120.500 0.030 0.000 2.483 188 R HA 0.735 6.982 4.340 3.179 0.000 0.303 188 R C -2.110 174.087 176.300 -0.172 0.000 0.987 188 R CA -0.481 55.544 56.100 -0.124 0.000 0.881 188 R CB 1.504 31.732 30.300 -0.119 0.000 1.177 188 R HN 0.404 nan 8.270 nan 0.000 0.451 189 V N 5.729 125.487 119.914 -0.259 0.000 2.439 189 V HA 0.519 6.546 4.120 3.179 0.000 0.282 189 V C -0.694 175.194 176.094 -0.344 0.000 1.039 189 V CA -0.387 61.880 62.300 -0.055 0.000 0.913 189 V CB 1.121 32.998 31.823 0.090 0.000 0.983 189 V HN 0.601 nan 8.190 nan 0.000 0.460 190 F N 2.762 122.832 119.950 0.200 0.000 2.382 190 F HA 0.358 6.792 4.527 3.179 0.000 0.361 190 F C 0.577 176.537 175.800 0.266 0.000 1.109 190 F CA -0.724 57.381 58.000 0.175 0.000 1.031 190 F CB 0.782 39.843 39.000 0.102 0.000 1.234 190 F HN 0.494 nan 8.300 nan 0.000 0.445 191 D N 1.679 122.271 120.400 0.320 0.000 2.354 191 D HA 0.109 6.656 4.640 3.179 0.000 0.238 191 D C -0.428 176.034 176.300 0.270 0.000 1.250 191 D CA 0.413 54.565 54.000 0.253 0.000 0.911 191 D CB 1.092 41.979 40.800 0.144 0.000 1.163 191 D HN 0.510 nan 8.370 nan 0.000 0.456 192 S N 0.224 115.981 115.700 0.094 0.000 2.774 192 S HA 0.495 6.872 4.470 3.179 0.000 0.297 192 S C 0.101 174.660 174.600 -0.069 0.000 1.143 192 S CA -1.026 57.120 58.200 -0.090 0.000 1.090 192 S CB 1.467 64.376 63.200 -0.485 0.000 1.019 192 S HN 0.489 nan 8.310 nan 0.000 0.482 193 G N 1.256 110.037 108.800 -0.031 0.000 2.389 193 G HA2 0.464 6.332 3.960 3.179 0.000 0.287 193 G HA3 0.464 6.332 3.960 3.179 0.000 0.287 193 G C 0.943 175.813 174.900 -0.052 0.000 1.126 193 G CA 0.190 45.275 45.100 -0.025 0.000 1.073 193 G HN 1.738 nan 8.290 nan 0.000 0.429 194 E N -0.028 120.138 120.200 -0.057 0.000 3.763 194 E HA -0.081 6.176 4.350 3.179 0.000 0.319 194 E C 1.196 177.738 176.600 -0.097 0.000 0.804 194 E CA 1.694 58.056 56.400 -0.063 0.000 1.196 194 E CB -1.549 28.123 29.700 -0.046 0.000 1.607 194 E HN 2.125 nan 8.360 nan 0.000 0.431 195 G N -1.730 106.981 108.800 -0.148 0.000 2.730 195 G HA2 0.812 6.679 3.960 3.179 0.000 0.289 195 G HA3 0.812 6.679 3.960 3.179 0.000 0.289 195 G C -0.371 174.355 174.900 -0.290 0.000 1.341 195 G CA 0.381 45.349 45.100 -0.219 0.000 0.932 195 G HN 1.179 nan 8.290 nan 0.000 0.481 196 S N -1.052 114.449 115.700 -0.331 0.000 2.575 196 S HA 0.665 7.043 4.470 3.179 0.000 0.278 196 S C -1.180 173.226 174.600 -0.324 0.000 1.139 196 S CA -0.687 57.327 58.200 -0.310 0.000 0.954 196 S CB 0.606 63.699 63.200 -0.179 0.000 1.054 196 S HN 0.353 nan 8.310 nan 0.000 0.483 197 F N 2.567 122.463 119.950 -0.090 0.000 2.418 197 F HA 0.317 6.752 4.527 3.179 0.000 0.341 197 F C 1.861 177.598 175.800 -0.106 0.000 1.120 197 F CA 0.268 58.216 58.000 -0.086 0.000 1.232 197 F CB 1.579 40.529 39.000 -0.084 0.000 1.175 197 F HN 0.764 nan 8.300 nan 0.000 0.569 198 S N -0.765 115.010 115.700 0.124 0.000 2.613 198 S HA 0.264 6.642 4.470 3.179 0.000 0.235 198 S C 0.012 174.627 174.600 0.025 0.000 1.073 198 S CA 0.335 58.559 58.200 0.041 0.000 0.899 198 S CB 0.077 63.301 63.200 0.040 0.000 0.818 198 S HN 0.559 nan 8.310 nan 0.000 0.484 199 S N 0.168 115.877 115.700 0.015 0.000 2.550 199 S HA 0.867 7.244 4.470 3.179 0.000 0.270 199 S C -1.046 173.478 174.600 -0.128 0.000 1.145 199 S CA -0.502 57.661 58.200 -0.062 0.000 0.852 199 S CB 1.441 64.587 63.200 -0.091 0.000 1.119 199 S HN 1.136 nan 8.310 nan 0.000 0.465 200 A N 0.644 123.354 122.820 -0.183 0.000 2.486 200 A HA 0.944 7.172 4.320 3.179 0.000 0.300 200 A C -0.512 176.949 177.584 -0.206 0.000 1.048 200 A CA -0.665 51.244 52.037 -0.213 0.000 0.696 200 A CB 1.857 20.712 19.000 -0.242 0.000 1.278 200 A HN 1.176 nan 8.150 nan 0.000 0.405 201 S N 0.467 116.067 115.700 -0.166 0.000 2.607 201 S HA 0.767 7.145 4.470 3.179 0.000 0.273 201 S C -1.420 173.209 174.600 0.048 0.000 1.148 201 S CA -0.490 57.672 58.200 -0.064 0.000 0.833 201 S CB 0.924 64.044 63.200 -0.133 0.000 1.130 201 S HN 0.632 nan 8.310 nan 0.000 0.470 202 I N 3.148 123.766 120.570 0.079 0.000 2.378 202 I HA 0.341 6.418 4.170 3.179 0.000 0.291 202 I C 0.476 176.431 176.117 -0.269 0.000 0.992 202 I CA -0.608 60.664 61.300 -0.047 0.000 1.154 202 I CB 1.981 39.949 38.000 -0.054 0.000 1.315 202 I HN 0.692 nan 8.210 nan 0.000 0.448 203 S N 5.731 121.149 115.700 -0.469 0.000 2.593 203 S HA 0.281 6.658 4.470 3.179 0.000 0.269 203 S C -1.896 172.382 174.600 -0.538 0.000 1.334 203 S CA -1.001 56.622 58.200 -0.961 0.000 1.015 203 S CB 0.872 63.723 63.200 -0.581 0.000 0.912 203 S HN 0.380 nan 8.310 nan 0.000 0.541 204 P HA -0.047 nan 4.420 nan 0.000 0.216 204 P C 1.532 178.719 177.300 -0.187 0.000 1.154 204 P CA 1.751 64.692 63.100 -0.265 0.000 0.865 204 P CB -0.511 31.058 31.700 -0.218 0.000 0.789 205 G N -1.409 107.277 108.800 -0.190 0.000 2.708 205 G HA2 -0.111 5.757 3.960 3.179 0.000 0.210 205 G HA3 -0.111 5.757 3.960 3.179 0.000 0.210 205 G C 0.580 175.411 174.900 -0.117 0.000 1.141 205 G CA 0.151 45.174 45.100 -0.129 0.000 0.788 205 G HN 0.075 nan 8.290 nan 0.000 0.531 206 M N -0.983 118.532 119.600 -0.141 0.000 2.879 206 M HA -0.114 6.274 4.480 3.179 0.000 0.210 206 M C -0.377 175.862 176.300 -0.103 0.000 0.550 206 M CA 0.875 56.111 55.300 -0.107 0.000 0.732 206 M CB -2.083 30.476 32.600 -0.069 0.000 2.662 206 M HN 0.184 nan 8.290 nan 0.000 0.516 207 K N 0.355 120.680 120.400 -0.125 0.000 2.118 207 K HA 0.738 6.965 4.320 3.179 0.000 0.254 207 K C 0.176 176.698 176.600 -0.130 0.000 0.961 207 K CA -0.652 55.563 56.287 -0.121 0.000 0.876 207 K CB 2.015 34.455 32.500 -0.101 0.000 1.077 207 K HN 0.032 nan 8.250 nan 0.000 0.440 208 V N 2.579 122.397 119.914 -0.159 0.000 2.353 208 V HA 0.110 6.138 4.120 3.179 0.000 0.264 208 V C 0.157 176.168 176.094 -0.138 0.000 1.049 208 V CA -0.504 61.692 62.300 -0.173 0.000 0.896 208 V CB 0.611 32.261 31.823 -0.289 0.000 1.025 208 V HN 0.655 nan 8.190 nan 0.000 0.475 209 T N 4.795 119.319 114.554 -0.050 0.000 2.869 209 T HA 0.661 6.918 4.350 3.179 0.000 0.295 209 T C 0.220 174.841 174.700 -0.131 0.000 0.987 209 T CA 0.009 62.076 62.100 -0.055 0.000 1.109 209 T CB 1.274 70.148 68.868 0.010 0.000 0.932 209 T HN 0.996 nan 8.240 nan 0.000 0.518 210 A N 1.951 124.702 122.820 -0.114 0.000 2.594 210 A HA 0.801 7.028 4.320 3.179 0.000 0.295 210 A C -0.059 177.541 177.584 0.026 0.000 1.071 210 A CA -0.800 51.180 52.037 -0.095 0.000 0.685 210 A CB 1.435 20.310 19.000 -0.209 0.000 1.285 210 A HN 0.984 nan 8.150 nan 0.000 0.405 211 G N -0.125 108.711 108.800 0.060 0.000 2.338 211 G HA2 0.564 6.431 3.960 3.179 0.000 0.298 211 G HA3 0.564 6.431 3.960 3.179 0.000 0.298 211 G C -1.053 173.958 174.900 0.185 0.000 1.140 211 G CA -0.225 44.934 45.100 0.099 0.000 0.860 211 G HN 1.058 nan 8.290 nan 0.000 0.470 212 L N 2.047 123.334 121.223 0.106 0.000 2.353 212 L HA 0.445 6.693 4.340 3.179 0.000 0.270 212 L C 0.116 176.945 176.870 -0.069 0.000 1.003 212 L CA -0.664 54.148 54.840 -0.047 0.000 0.862 212 L CB 0.968 42.971 42.059 -0.094 0.000 1.221 212 L HN 0.577 nan 8.230 nan 0.000 0.430 213 E N 2.473 122.623 120.200 -0.084 0.000 2.354 213 E HA 0.480 6.737 4.350 3.179 0.000 0.269 213 E C -0.048 176.494 176.600 -0.097 0.000 1.036 213 E CA -0.078 56.283 56.400 -0.064 0.000 0.876 213 E CB 1.037 30.711 29.700 -0.043 0.000 1.009 213 E HN 0.704 nan 8.360 nan 0.000 0.416 214 T N -1.658 112.854 114.554 -0.069 0.000 2.742 214 T HA 0.514 6.772 4.350 3.179 0.000 0.282 214 T C 0.895 175.566 174.700 -0.048 0.000 1.025 214 T CA -0.222 61.836 62.100 -0.070 0.000 1.020 214 T CB 1.191 70.023 68.868 -0.061 0.000 1.317 214 T HN 0.318 nan 8.240 nan 0.000 0.538 215 A N 0.032 122.827 122.820 -0.041 0.000 2.070 215 A HA 0.140 6.368 4.320 3.179 0.000 0.220 215 A C 1.897 179.477 177.584 -0.007 0.000 1.159 215 A CA 1.078 53.102 52.037 -0.022 0.000 0.656 215 A CB -0.614 18.375 19.000 -0.020 0.000 0.800 215 A HN 0.794 nan 8.150 nan 0.000 0.453 216 R N -1.886 118.604 120.500 -0.017 0.000 2.667 216 R HA 0.481 6.728 4.340 3.179 0.000 0.102 216 R C 0.624 176.906 176.300 -0.030 0.000 1.113 216 R CA 0.162 56.253 56.100 -0.015 0.000 0.925 216 R CB -0.136 30.154 30.300 -0.016 0.000 0.791 216 R HN 0.202 nan 8.270 nan 0.000 0.377 217 E N 1.027 121.202 120.200 -0.042 0.000 2.408 217 E HA 0.509 6.766 4.350 3.179 0.000 0.259 217 E C -0.434 176.139 176.600 -0.044 0.000 1.110 217 E CA 0.196 56.562 56.400 -0.056 0.000 0.929 217 E CB 0.329 29.986 29.700 -0.071 0.000 0.971 217 E HN 0.527 nan 8.360 nan 0.000 0.438 218 A N 1.359 124.156 122.820 -0.038 0.000 2.264 218 A HA 0.766 6.994 4.320 3.179 0.000 0.304 218 A C 0.096 177.689 177.584 0.016 0.000 1.100 218 A CA -0.503 51.532 52.037 -0.003 0.000 0.839 218 A CB 0.736 19.757 19.000 0.035 0.000 1.121 218 A HN 0.638 nan 8.150 nan 0.000 0.496 219 R N 0.093 120.625 120.500 0.052 0.000 2.532 219 R HA 0.448 6.696 4.340 3.179 0.000 0.297 219 R C -1.758 174.615 176.300 0.120 0.000 0.984 219 R CA -0.728 55.418 56.100 0.077 0.000 0.884 219 R CB 1.834 32.155 30.300 0.034 0.000 1.182 219 R HN 0.528 nan 8.270 nan 0.000 0.442 220 L N 4.603 125.928 121.223 0.169 0.000 2.265 220 L HA 0.441 6.689 4.340 3.179 0.000 0.288 220 L C -0.507 176.394 176.870 0.052 0.000 1.058 220 L CA -0.312 54.579 54.840 0.086 0.000 0.809 220 L CB 1.489 43.554 42.059 0.010 0.000 1.179 220 L HN 0.525 nan 8.230 nan 0.000 0.429 221 V N 1.217 121.154 119.914 0.039 0.000 3.040 221 V HA 0.856 6.884 4.120 3.179 0.000 0.312 221 V C -0.286 175.806 176.094 -0.003 0.000 1.115 221 V CA -0.280 62.042 62.300 0.037 0.000 0.998 221 V CB 1.901 33.776 31.823 0.087 0.000 1.042 221 V HN 0.800 nan 8.190 nan 0.000 0.433 222 T N 0.163 114.709 114.554 -0.014 0.000 2.771 222 T HA 0.745 7.003 4.350 3.179 0.000 0.281 222 T C -0.444 174.213 174.700 -0.073 0.000 0.982 222 T CA -0.628 61.441 62.100 -0.050 0.000 0.978 222 T CB 1.146 69.988 68.868 -0.042 0.000 0.930 222 T HN 0.976 nan 8.240 nan 0.000 0.447 223 V N 3.207 123.030 119.914 -0.152 0.000 2.350 223 V HA 0.306 6.334 4.120 3.179 0.000 0.276 223 V C 0.294 176.250 176.094 -0.231 0.000 1.028 223 V CA -0.921 61.243 62.300 -0.226 0.000 0.860 223 V CB 1.081 32.644 31.823 -0.433 0.000 0.990 223 V HN 0.951 nan 8.190 nan 0.000 0.453 224 D N 7.985 128.296 120.400 -0.147 0.000 2.358 224 D HA 0.156 6.704 4.640 3.179 0.000 0.258 224 D C -1.371 174.850 176.300 -0.131 0.000 1.223 224 D CA -1.745 52.191 54.000 -0.108 0.000 0.886 224 D CB 2.061 42.836 40.800 -0.042 0.000 1.120 224 D HN 0.298 nan 8.370 nan 0.000 0.482 225 P HA 0.041 nan 4.420 nan 0.000 0.245 225 P C 0.862 178.235 177.300 0.122 0.000 1.212 225 P CA 0.236 63.310 63.100 -0.042 0.000 0.774 225 P CB 0.488 32.160 31.700 -0.047 0.000 0.999 226 R N 0.744 121.282 120.500 0.063 0.000 2.193 226 R HA -0.028 6.220 4.340 3.179 0.000 0.213 226 R C 1.023 177.380 176.300 0.095 0.000 1.055 226 R CA 1.569 57.711 56.100 0.071 0.000 0.995 226 R CB -0.098 30.222 30.300 0.034 0.000 0.893 226 R HN 0.269 nan 8.270 nan 0.000 0.459 227 D N -3.409 117.062 120.400 0.119 0.000 2.475 227 D HA 0.067 6.615 4.640 3.179 0.000 0.306 227 D C 0.796 177.207 176.300 0.185 0.000 1.304 227 D CA 0.481 54.557 54.000 0.126 0.000 0.862 227 D CB -0.044 40.799 40.800 0.072 0.000 1.306 227 D HN 0.055 nan 8.370 nan 0.000 0.494 228 G N 1.109 110.072 108.800 0.271 0.000 2.153 228 G HA2 -0.271 5.596 3.960 3.179 0.000 0.252 228 G HA3 -0.271 5.596 3.960 3.179 0.000 0.252 228 G C 0.357 175.355 174.900 0.164 0.000 0.994 228 G CA 0.599 45.907 45.100 0.346 0.000 0.698 228 G HN 1.096 nan 8.290 nan 0.000 0.521 229 S N -0.965 114.786 115.700 0.085 0.000 2.549 229 S HA 0.622 7.000 4.470 3.179 0.000 0.279 229 S C 0.047 174.665 174.600 0.029 0.000 1.321 229 S CA -0.041 58.191 58.200 0.054 0.000 1.054 229 S CB 2.325 65.545 63.200 0.033 0.000 0.899 229 S HN 1.110 nan 8.310 nan 0.000 0.497 230 V N 4.341 124.282 119.914 0.045 0.000 2.588 230 V HA 0.673 6.701 4.120 3.179 0.000 0.304 230 V C -0.239 175.877 176.094 0.037 0.000 1.042 230 V CA -0.614 61.712 62.300 0.043 0.000 0.877 230 V CB 1.330 33.209 31.823 0.094 0.000 0.996 230 V HN 1.093 nan 8.190 nan 0.000 0.425 231 E N 1.985 122.201 120.200 0.026 0.000 2.413 231 E HA 0.453 6.710 4.350 3.179 0.000 0.277 231 E C -1.703 174.911 176.600 0.023 0.000 0.958 231 E CA -1.029 55.385 56.400 0.023 0.000 0.779 231 E CB 1.936 31.645 29.700 0.014 0.000 1.278 231 E HN 0.427 nan 8.360 nan 0.000 0.456 232 D N 1.075 121.489 120.400 0.024 0.000 2.443 232 D HA 0.091 6.638 4.640 3.179 0.000 0.239 232 D C -0.544 175.769 176.300 0.022 0.000 1.136 232 D CA 0.026 54.043 54.000 0.029 0.000 0.879 232 D CB 0.867 41.684 40.800 0.029 0.000 1.195 232 D HN 0.237 nan 8.370 nan 0.000 0.443 233 L N 2.101 123.338 121.223 0.022 0.000 2.255 233 L HA 0.282 6.530 4.340 3.179 0.000 0.289 233 L C 0.222 177.101 176.870 0.015 0.000 1.046 233 L CA -0.572 54.272 54.840 0.007 0.000 0.816 233 L CB 0.236 42.285 42.059 -0.017 0.000 1.197 233 L HN 0.423 nan 8.230 nan 0.000 0.427 234 E N 5.686 125.895 120.200 0.015 0.000 2.360 234 E HA 0.437 6.695 4.350 3.179 0.000 0.269 234 E C -0.921 175.687 176.600 0.012 0.000 1.022 234 E CA -0.192 56.220 56.400 0.021 0.000 0.887 234 E CB 0.443 30.153 29.700 0.017 0.000 0.990 234 E HN 0.732 nan 8.360 nan 0.000 0.426 235 L N 3.168 124.402 121.223 0.020 0.000 2.330 235 L HA 0.401 6.649 4.340 3.179 0.000 0.271 235 L C -1.491 175.394 176.870 0.024 0.000 1.013 235 L CA -2.068 52.777 54.840 0.008 0.000 0.816 235 L CB 2.368 44.420 42.059 -0.012 0.000 1.287 235 L HN 0.420 nan 8.230 nan 0.000 0.435 236 P HA -0.131 nan 4.420 nan 0.000 0.216 236 P C 0.199 177.523 177.300 0.039 0.000 1.153 236 P CA 1.016 64.132 63.100 0.026 0.000 0.858 236 P CB 0.255 31.968 31.700 0.022 0.000 0.789 237 S N -0.866 114.867 115.700 0.054 0.000 2.509 237 S HA 0.266 6.644 4.470 3.179 0.000 0.297 237 S C 0.658 175.317 174.600 0.098 0.000 1.118 237 S CA -0.688 57.558 58.200 0.076 0.000 1.074 237 S CB 0.420 63.676 63.200 0.094 0.000 1.038 237 S HN -0.186 nan 8.310 nan 0.000 0.498 238 K N 2.858 123.315 120.400 0.094 0.000 2.410 238 K HA 0.138 6.365 4.320 3.179 0.000 0.200 238 K C 0.310 176.980 176.600 0.117 0.000 1.023 238 K CA 0.011 56.353 56.287 0.092 0.000 1.149 238 K CB -0.097 32.439 32.500 0.060 0.000 0.859 238 K HN 0.578 nan 8.250 nan 0.000 0.514 239 D N 0.688 121.196 120.400 0.181 0.000 2.158 239 D HA -0.187 6.360 4.640 3.179 0.000 0.197 239 D C 1.462 177.908 176.300 0.243 0.000 0.995 239 D CA 0.939 55.104 54.000 0.275 0.000 0.846 239 D CB -0.117 40.933 40.800 0.417 0.000 0.941 239 D HN 0.181 nan 8.370 nan 0.000 0.456 240 F N 1.819 121.686 119.950 -0.137 0.000 2.113 240 F HA -0.182 6.252 4.527 3.179 0.000 0.297 240 F C 2.420 178.070 175.800 -0.251 0.000 1.103 240 F CA 1.633 59.258 58.000 -0.624 0.000 1.248 240 F CB -0.402 38.190 39.000 -0.681 0.000 0.999 240 F HN -0.079 nan 8.300 nan 0.000 0.475 241 S N -0.727 114.865 115.700 -0.180 0.000 2.383 241 S HA -0.199 6.179 4.470 3.179 0.000 0.229 241 S C 2.102 176.600 174.600 -0.169 0.000 1.030 241 S CA 1.379 59.456 58.200 -0.205 0.000 1.002 241 S CB -1.000 62.175 63.200 -0.041 0.000 0.829 241 S HN 0.377 nan 8.310 nan 0.000 0.467 242 S N 0.590 116.252 115.700 -0.062 0.000 2.423 242 S HA -0.015 6.363 4.470 3.179 0.000 0.231 242 S C 1.458 176.072 174.600 0.022 0.000 1.014 242 S CA 0.841 59.041 58.200 0.000 0.000 0.965 242 S CB -0.480 62.762 63.200 0.070 0.000 0.785 242 S HN 0.638 nan 8.310 nan 0.000 0.495 243 Y N 2.330 122.542 120.300 -0.147 0.000 2.293 243 Y HA 0.012 6.469 4.550 3.179 0.000 0.291 243 Y C 0.643 176.457 175.900 -0.144 0.000 1.137 243 Y CA 0.839 58.889 58.100 -0.083 0.000 1.202 243 Y CB -0.126 38.302 38.460 -0.052 0.000 0.990 243 Y HN 0.071 nan 8.280 nan 0.000 0.537 244 R N -0.025 120.343 120.500 -0.220 0.000 3.146 244 R HA -0.157 6.091 4.340 3.179 0.000 0.250 244 R C -2.726 173.415 176.300 -0.265 0.000 0.912 244 R CA 0.394 56.347 56.100 -0.245 0.000 0.633 244 R CB -2.184 28.001 30.300 -0.191 0.000 1.180 244 R HN 0.307 nan 8.270 nan 0.000 0.464 245 P HA 0.037 nan 4.420 nan 0.000 0.274 245 P C 0.838 178.102 177.300 -0.060 0.000 1.237 245 P CA 0.045 63.124 63.100 -0.035 0.000 0.793 245 P CB 0.868 32.644 31.700 0.126 0.000 0.977 246 T N -2.307 112.229 114.554 -0.030 0.000 2.969 246 T HA 0.482 6.740 4.350 3.179 0.000 0.250 246 T C 0.643 175.339 174.700 -0.007 0.000 1.021 246 T CA 0.020 62.093 62.100 -0.045 0.000 1.003 246 T CB 0.107 68.916 68.868 -0.097 0.000 1.040 246 T HN 0.576 nan 8.240 nan 0.000 0.492 247 A N 0.676 123.522 122.820 0.043 0.000 2.454 247 A HA 0.806 7.034 4.320 3.179 0.000 0.302 247 A C -1.267 176.395 177.584 0.130 0.000 1.079 247 A CA -0.942 51.133 52.037 0.064 0.000 0.731 247 A CB 1.214 20.241 19.000 0.045 0.000 1.299 247 A HN 0.404 nan 8.150 nan 0.000 0.413 248 I N 2.263 122.905 120.570 0.120 0.000 2.464 248 I HA 0.178 6.255 4.170 3.179 0.000 0.277 248 I C 1.041 177.239 176.117 0.135 0.000 1.040 248 I CA -0.251 61.138 61.300 0.148 0.000 1.153 248 I CB 1.619 39.694 38.000 0.126 0.000 1.274 248 I HN 0.816 nan 8.210 nan 0.000 0.469 249 T N 3.941 118.600 114.554 0.175 0.000 2.622 249 T HA -0.174 6.084 4.350 3.179 0.000 0.266 249 T C -0.032 174.827 174.700 0.266 0.000 1.047 249 T CA 1.767 63.981 62.100 0.190 0.000 1.159 249 T CB 0.031 69.019 68.868 0.201 0.000 0.863 249 T HN 0.625 nan 8.240 nan 0.000 0.422 250 W N 0.748 122.071 121.300 0.038 0.000 3.137 250 W HA 0.493 7.061 4.660 3.179 0.000 0.324 250 W C -2.492 174.019 176.519 -0.014 0.000 1.253 250 W CA -1.356 55.998 57.345 0.014 0.000 1.183 250 W CB 1.159 30.633 29.460 0.022 0.000 1.424 250 W HN 0.161 nan 8.180 nan 0.000 0.566 251 L N 2.893 123.555 121.223 -0.935 0.000 2.549 251 L HA 1.064 7.312 4.340 3.179 0.000 0.259 251 L C -0.721 175.234 176.870 -1.524 0.000 0.934 251 L CA -0.595 53.613 54.840 -1.054 0.000 0.865 251 L CB 1.607 43.339 42.059 -0.545 0.000 1.352 251 L HN 0.781 nan 8.230 nan 0.000 0.410 252 G N 0.785 108.757 108.800 -1.381 0.000 2.732 252 G HA2 0.522 6.390 3.960 3.179 0.000 0.296 252 G HA3 0.522 6.390 3.960 3.179 0.000 0.296 252 G C -2.088 172.522 174.900 -0.483 0.000 1.448 252 G CA -0.675 43.928 45.100 -0.830 0.000 0.911 252 G HN 0.530 nan 8.290 nan 0.000 0.528 253 Y N 0.743 120.954 120.300 -0.149 0.000 2.335 253 Y HA 0.438 6.896 4.550 3.179 0.000 0.331 253 Y C 1.228 177.094 175.900 -0.057 0.000 1.094 253 Y CA -0.198 57.845 58.100 -0.096 0.000 1.253 253 Y CB 1.006 39.400 38.460 -0.109 0.000 1.203 253 Y HN 0.278 nan 8.280 nan 0.000 0.508 254 L N 5.535 126.789 121.223 0.052 0.000 2.456 254 L HA 0.239 6.487 4.340 3.179 0.000 0.257 254 L C -1.386 175.352 176.870 -0.221 0.000 1.162 254 L CA -1.888 52.891 54.840 -0.102 0.000 0.808 254 L CB 0.493 42.528 42.059 -0.040 0.000 1.136 254 L HN 0.473 nan 8.230 nan 0.000 0.466 255 P HA -0.091 nan 4.420 nan 0.000 0.234 255 P C 0.220 177.419 177.300 -0.169 0.000 1.167 255 P CA 0.613 63.503 63.100 -0.351 0.000 0.763 255 P CB -0.048 31.379 31.700 -0.455 0.000 0.835 256 D N -2.091 118.236 120.400 -0.122 0.000 2.340 256 D HA 0.139 6.687 4.640 3.179 0.000 0.220 256 D C 1.495 177.773 176.300 -0.036 0.000 1.039 256 D CA 0.503 54.464 54.000 -0.064 0.000 0.866 256 D CB -0.716 40.057 40.800 -0.045 0.000 0.913 256 D HN 0.180 nan 8.370 nan 0.000 0.523 257 G N -0.003 108.786 108.800 -0.019 0.000 2.213 257 G HA2 -0.291 5.576 3.960 3.179 0.000 0.236 257 G HA3 -0.291 5.576 3.960 3.179 0.000 0.236 257 G C 0.363 175.339 174.900 0.126 0.000 0.991 257 G CA -0.196 44.916 45.100 0.020 0.000 0.629 257 G HN 0.423 nan 8.290 nan 0.000 0.517 258 R N -0.324 120.225 120.500 0.082 0.000 2.641 258 R HA 0.548 6.795 4.340 3.179 0.000 0.269 258 R C -0.237 176.090 176.300 0.045 0.000 1.074 258 R CA -0.466 55.675 56.100 0.069 0.000 1.133 258 R CB 0.849 31.161 30.300 0.020 0.000 1.029 258 R HN 0.235 nan 8.270 nan 0.000 0.488 259 L N 1.684 122.863 121.223 -0.074 0.000 2.265 259 L HA 0.393 6.641 4.340 3.179 0.000 0.289 259 L C -0.727 175.994 176.870 -0.248 0.000 1.033 259 L CA -0.210 54.407 54.840 -0.372 0.000 0.814 259 L CB 1.232 43.004 42.059 -0.478 0.000 1.203 259 L HN 0.730 nan 8.230 nan 0.000 0.423 260 A N 5.622 128.306 122.820 -0.226 0.000 2.276 260 A HA 0.667 6.895 4.320 3.179 0.000 0.300 260 A C -0.762 176.758 177.584 -0.106 0.000 1.235 260 A CA -0.438 51.576 52.037 -0.039 0.000 0.867 260 A CB 0.384 19.502 19.000 0.197 0.000 1.137 260 A HN 0.542 nan 8.150 nan 0.000 0.527 261 V N 3.677 123.569 119.914 -0.036 0.000 2.495 261 V HA 0.386 6.413 4.120 3.179 0.000 0.298 261 V C -0.246 175.974 176.094 0.211 0.000 1.031 261 V CA -0.561 61.722 62.300 -0.027 0.000 0.871 261 V CB 1.684 33.340 31.823 -0.279 0.000 0.988 261 V HN 0.596 nan 8.190 nan 0.000 0.432 262 V N 4.202 124.284 119.914 0.280 0.000 2.347 262 V HA 0.827 6.855 4.120 3.179 0.000 0.280 262 V C 0.353 176.626 176.094 0.297 0.000 1.021 262 V CA -0.229 62.252 62.300 0.301 0.000 0.847 262 V CB 1.207 33.223 31.823 0.322 0.000 0.990 262 V HN 1.025 nan 8.190 nan 0.000 0.444 263 A N 6.133 129.160 122.820 0.345 0.000 2.413 263 A HA 0.931 7.158 4.320 3.179 0.000 0.307 263 A C -0.422 177.396 177.584 0.391 0.000 1.087 263 A CA -0.904 51.352 52.037 0.366 0.000 0.750 263 A CB 1.710 21.001 19.000 0.484 0.000 1.296 263 A HN 0.741 nan 8.150 nan 0.000 0.423 264 R N 0.199 120.919 120.500 0.367 0.000 2.778 264 R HA 0.796 7.043 4.340 3.179 0.000 0.277 264 R C -0.636 175.832 176.300 0.280 0.000 0.977 264 R CA -0.820 55.474 56.100 0.324 0.000 0.950 264 R CB 2.444 32.841 30.300 0.162 0.000 1.165 264 R HN 0.817 nan 8.270 nan 0.000 0.474 265 R N 1.078 121.691 120.500 0.187 0.000 2.560 265 R HA 0.061 6.308 4.340 3.179 0.000 0.267 265 R C -1.122 175.178 176.300 -0.000 0.000 1.150 265 R CA -0.248 55.831 56.100 -0.035 0.000 0.997 265 R CB 1.122 31.221 30.300 -0.335 0.000 1.250 265 R HN 0.844 nan 8.270 nan 0.000 0.433 266 E N 2.469 122.613 120.200 -0.093 0.000 2.476 266 E HA -0.253 6.005 4.350 3.179 0.000 0.251 266 E C 0.490 177.215 176.600 0.208 0.000 1.130 266 E CA 0.948 57.387 56.400 0.065 0.000 0.736 266 E CB -1.233 28.610 29.700 0.239 0.000 1.298 266 E HN 1.162 nan 8.360 nan 0.000 0.400 267 G N -0.275 108.583 108.800 0.096 0.000 2.162 267 G HA2 -0.371 5.497 3.960 3.179 0.000 0.260 267 G HA3 -0.371 5.497 3.960 3.179 0.000 0.260 267 G C 0.276 175.243 174.900 0.112 0.000 0.976 267 G CA 0.845 46.039 45.100 0.157 0.000 0.655 267 G HN 0.296 nan 8.290 nan 0.000 0.533 268 R N -0.352 120.257 120.500 0.182 0.000 2.939 268 R HA 0.764 7.011 4.340 3.179 0.000 0.254 268 R C -0.027 176.416 176.300 0.240 0.000 1.123 268 R CA 0.016 56.224 56.100 0.180 0.000 1.020 268 R CB 1.806 32.251 30.300 0.243 0.000 1.206 268 R HN 0.542 nan 8.270 nan 0.000 0.491 269 S N -0.548 115.306 115.700 0.258 0.000 2.599 269 S HA 0.846 7.224 4.470 3.179 0.000 0.294 269 S C -1.066 173.736 174.600 0.337 0.000 1.094 269 S CA -0.844 57.559 58.200 0.339 0.000 0.931 269 S CB 2.290 65.678 63.200 0.314 0.000 1.093 269 S HN 0.713 nan 8.310 nan 0.000 0.488 270 A N 1.109 124.008 122.820 0.131 0.000 2.401 270 A HA 0.802 7.029 4.320 3.179 0.000 0.310 270 A C -1.013 176.422 177.584 -0.249 0.000 1.075 270 A CA -0.834 51.071 52.037 -0.220 0.000 0.746 270 A CB 1.606 20.200 19.000 -0.677 0.000 1.277 270 A HN 0.973 nan 8.150 nan 0.000 0.425 271 V N 1.793 121.411 119.914 -0.494 0.000 2.435 271 V HA 0.570 6.598 4.120 3.179 0.000 0.290 271 V C -1.065 174.694 176.094 -0.559 0.000 1.030 271 V CA -0.099 62.000 62.300 -0.335 0.000 0.881 271 V CB 0.710 32.361 31.823 -0.288 0.000 0.983 271 V HN 0.676 nan 8.190 nan 0.000 0.445 272 F N 4.672 124.583 119.950 -0.065 0.000 2.522 272 F HA 0.672 7.107 4.527 3.179 0.000 0.324 272 F C -0.083 175.674 175.800 -0.072 0.000 1.077 272 F CA -0.964 56.999 58.000 -0.061 0.000 0.944 272 F CB 1.819 40.791 39.000 -0.047 0.000 1.175 272 F HN 0.137 nan 8.300 nan 0.000 0.468 273 I N 2.394 123.024 120.570 0.100 0.000 2.468 273 I HA 0.190 6.267 4.170 3.179 0.000 0.284 273 I C -0.614 175.522 176.117 0.031 0.000 1.038 273 I CA -0.621 60.700 61.300 0.035 0.000 1.083 273 I CB 1.225 39.234 38.000 0.016 0.000 1.223 273 I HN 0.603 nan 8.210 nan 0.000 0.443 274 D N 5.484 125.879 120.400 -0.009 0.000 2.701 274 D HA -0.198 6.350 4.640 3.179 0.000 0.235 274 D C 1.361 177.668 176.300 0.012 0.000 1.155 274 D CA 1.744 55.735 54.000 -0.015 0.000 0.649 274 D CB -0.657 40.146 40.800 0.006 0.000 1.050 274 D HN 1.138 nan 8.370 nan 0.000 0.425 275 G N -0.213 108.598 108.800 0.018 0.000 2.225 275 G HA2 -0.365 5.503 3.960 3.179 0.000 0.254 275 G HA3 -0.365 5.503 3.960 3.179 0.000 0.254 275 G C 0.176 175.239 174.900 0.271 0.000 0.988 275 G CA 0.507 45.659 45.100 0.087 0.000 0.625 275 G HN 0.612 nan 8.290 nan 0.000 0.527 276 E N 0.702 121.028 120.200 0.209 0.000 2.259 276 E HA 0.511 6.769 4.350 3.179 0.000 0.281 276 E C 0.513 177.207 176.600 0.157 0.000 1.027 276 E CA -0.860 55.654 56.400 0.189 0.000 0.838 276 E CB 0.488 30.239 29.700 0.085 0.000 1.066 276 E HN 0.372 nan 8.360 nan 0.000 0.401 277 R N 3.224 123.766 120.500 0.070 0.000 2.390 277 R HA 0.269 6.517 4.340 3.179 0.000 0.291 277 R C -1.025 175.126 176.300 -0.249 0.000 1.070 277 R CA -0.504 55.388 56.100 -0.348 0.000 1.014 277 R CB 0.934 30.990 30.300 -0.406 0.000 1.007 277 R HN 0.336 nan 8.270 nan 0.000 0.466 278 V N 3.321 123.035 119.914 -0.332 0.000 2.532 278 V HA 0.157 6.184 4.120 3.179 0.000 0.295 278 V C -0.061 175.897 176.094 -0.226 0.000 1.041 278 V CA -0.785 61.386 62.300 -0.215 0.000 0.926 278 V CB 1.555 33.269 31.823 -0.182 0.000 0.992 278 V HN 0.770 nan 8.190 nan 0.000 0.457 279 E N 2.455 122.568 120.200 -0.145 0.000 2.415 279 E HA 0.469 6.726 4.350 3.179 0.000 0.263 279 E C -0.160 176.355 176.600 -0.142 0.000 0.995 279 E CA 0.475 56.804 56.400 -0.118 0.000 0.915 279 E CB 0.718 30.375 29.700 -0.071 0.000 0.951 279 E HN 0.961 nan 8.360 nan 0.000 0.449 280 A N 4.783 127.520 122.820 -0.138 0.000 2.572 280 A HA 0.623 6.851 4.320 3.179 0.000 0.295 280 A C -2.650 174.903 177.584 -0.050 0.000 1.072 280 A CA -1.602 50.337 52.037 -0.163 0.000 0.691 280 A CB 1.064 19.820 19.000 -0.407 0.000 1.291 280 A HN 0.571 nan 8.150 nan 0.000 0.404 281 P HA 0.179 nan 4.420 nan 0.000 0.271 281 P C -0.458 176.882 177.300 0.067 0.000 1.216 281 P CA -0.069 62.944 63.100 -0.146 0.000 0.771 281 P CB 0.373 31.711 31.700 -0.603 0.000 0.864 282 Q N 1.286 121.157 119.800 0.118 0.000 2.283 282 Q HA 0.289 6.537 4.340 3.179 0.000 0.301 282 Q C 0.808 176.981 176.000 0.289 0.000 1.063 282 Q CA 1.516 57.438 55.803 0.199 0.000 0.952 282 Q CB -0.081 28.756 28.738 0.163 0.000 1.166 282 Q HN 0.840 nan 8.270 nan 0.000 0.381 283 G N 3.414 112.318 108.800 0.172 0.000 2.249 283 G HA2 -0.095 5.772 3.960 3.179 0.000 0.089 283 G HA3 -0.095 5.772 3.960 3.179 0.000 0.089 283 G C -1.259 173.541 174.900 -0.165 0.000 1.206 283 G CA -0.725 44.382 45.100 0.012 0.000 1.190 283 G HN 0.596 nan 8.290 nan 0.000 0.454 284 N N 0.461 118.943 118.700 -0.363 0.000 2.249 284 N HA 0.612 7.259 4.740 3.179 0.000 0.296 284 N C -1.639 173.578 175.510 -0.489 0.000 1.051 284 N CA -0.344 52.498 53.050 -0.346 0.000 0.815 284 N CB 1.853 40.245 38.487 -0.159 0.000 1.487 284 N HN 0.567 nan 8.380 nan 0.000 0.475 285 H N -0.717 118.394 119.070 0.069 0.000 2.621 285 H HA 0.540 7.004 4.556 3.180 0.000 0.360 285 H C 0.786 176.113 175.328 -0.002 0.000 1.163 285 H CA -0.685 55.389 56.048 0.044 0.000 1.194 285 H CB 1.807 31.599 29.762 0.050 0.000 1.649 285 H HN 0.609 nan 8.280 nan 0.000 0.532 286 G N 0.454 109.278 108.800 0.042 0.000 3.182 286 G HA2 0.162 6.030 3.960 3.179 0.000 0.167 286 G HA3 0.162 6.030 3.960 3.179 0.000 0.167 286 G C -0.303 174.427 174.900 -0.283 0.000 1.537 286 G CA -0.846 44.197 45.100 -0.094 0.000 1.046 286 G HN 0.717 nan 8.290 nan 0.000 0.580 287 R N -0.942 119.189 120.500 -0.615 0.000 2.582 287 R HA 0.500 6.747 4.340 3.179 0.000 0.271 287 R C -1.209 174.626 176.300 -0.775 0.000 1.078 287 R CA -0.403 54.904 56.100 -1.322 0.000 1.127 287 R CB 1.184 30.570 30.300 -1.523 0.000 1.038 287 R HN 0.145 nan 8.270 nan 0.000 0.500 288 V N 3.445 122.863 119.914 -0.826 0.000 2.513 288 V HA 0.512 6.540 4.120 3.179 0.000 0.299 288 V C -0.089 175.992 176.094 -0.022 0.000 1.035 288 V CA -0.687 61.489 62.300 -0.205 0.000 0.889 288 V CB 1.443 33.293 31.823 0.046 0.000 0.988 288 V HN 0.754 nan 8.190 nan 0.000 0.440 289 V N 2.998 122.950 119.914 0.063 0.000 3.007 289 V HA 0.757 6.784 4.120 3.179 0.000 0.311 289 V C -1.213 175.045 176.094 0.273 0.000 1.120 289 V CA -1.032 61.408 62.300 0.232 0.000 0.980 289 V CB 2.036 33.916 31.823 0.094 0.000 1.033 289 V HN 0.671 nan 8.190 nan 0.000 0.429 290 L N 4.130 125.585 121.223 0.387 0.000 2.275 290 L HA 0.768 7.015 4.340 3.179 0.000 0.288 290 L C -1.110 176.004 176.870 0.407 0.000 1.046 290 L CA 0.120 55.135 54.840 0.290 0.000 0.805 290 L CB 1.156 43.310 42.059 0.159 0.000 1.193 290 L HN 0.969 nan 8.230 nan 0.000 0.426 291 W N 6.650 128.019 121.300 0.114 0.000 2.968 291 W HA 0.449 7.017 4.660 3.180 0.000 0.337 291 W C -0.060 176.495 176.519 0.059 0.000 1.060 291 W CA -0.734 56.668 57.345 0.094 0.000 1.240 291 W CB 0.810 30.315 29.460 0.075 0.000 1.370 291 W HN 0.569 nan 8.180 nan 0.000 0.459 292 R N 4.039 124.234 120.500 -0.510 0.000 3.758 292 R HA -0.201 6.047 4.340 3.179 0.000 0.299 292 R C 1.018 177.153 176.300 -0.275 0.000 1.182 292 R CA 1.707 57.470 56.100 -0.562 0.000 0.809 292 R CB -1.942 27.741 30.300 -1.029 0.000 1.249 292 R HN 1.743 nan 8.270 nan 0.000 0.497 293 G N -0.695 108.029 108.800 -0.128 0.000 2.199 293 G HA2 -0.358 5.509 3.960 3.179 0.000 0.254 293 G HA3 -0.358 5.509 3.960 3.179 0.000 0.254 293 G C 0.145 175.027 174.900 -0.029 0.000 0.982 293 G CA 0.844 45.904 45.100 -0.066 0.000 0.632 293 G HN 0.386 nan 8.290 nan 0.000 0.529 294 K N -0.222 120.171 120.400 -0.011 0.000 2.208 294 K HA 0.738 6.965 4.320 3.179 0.000 0.247 294 K C 0.452 177.120 176.600 0.113 0.000 0.953 294 K CA -0.885 55.428 56.287 0.043 0.000 0.837 294 K CB 1.473 34.001 32.500 0.046 0.000 1.131 294 K HN 0.129 nan 8.250 nan 0.000 0.431 295 L N 1.977 123.248 121.223 0.081 0.000 2.397 295 L HA 0.377 6.625 4.340 3.179 0.000 0.271 295 L C -0.543 176.382 176.870 0.091 0.000 1.148 295 L CA -0.569 54.319 54.840 0.081 0.000 0.825 295 L CB 0.919 42.994 42.059 0.027 0.000 1.117 295 L HN 0.248 nan 8.230 nan 0.000 0.456 296 V N 1.559 121.521 119.914 0.080 0.000 2.851 296 V HA 0.564 6.591 4.120 3.179 0.000 0.307 296 V C -0.342 175.736 176.094 -0.026 0.000 1.129 296 V CA -0.434 61.892 62.300 0.043 0.000 0.932 296 V CB 2.301 34.171 31.823 0.079 0.000 1.024 296 V HN 0.849 nan 8.190 nan 0.000 0.426 297 T N 1.838 116.362 114.554 -0.050 0.000 2.841 297 T HA 0.613 6.870 4.350 3.179 0.000 0.296 297 T C -0.435 174.243 174.700 -0.037 0.000 1.166 297 T CA -0.003 62.058 62.100 -0.065 0.000 1.007 297 T CB 1.952 70.793 68.868 -0.044 0.000 1.253 297 T HN 0.997 nan 8.240 nan 0.000 0.511 298 S N 1.769 117.448 115.700 -0.036 0.000 2.610 298 S HA 0.580 6.957 4.470 3.179 0.000 0.273 298 S C -0.629 174.036 174.600 0.109 0.000 1.274 298 S CA -0.592 57.606 58.200 -0.004 0.000 1.023 298 S CB 0.878 64.045 63.200 -0.055 0.000 0.962 298 S HN 0.849 nan 8.310 nan 0.000 0.523 299 H N -0.076 118.976 119.070 -0.030 0.000 2.894 299 H HA 0.551 7.015 4.556 3.180 0.000 0.367 299 H C -1.610 173.667 175.328 -0.086 0.000 1.144 299 H CA -0.323 55.697 56.048 -0.047 0.000 1.180 299 H CB 2.228 31.999 29.762 0.015 0.000 1.758 299 H HN 0.801 nan 8.280 nan 0.000 0.541 300 T N 2.174 116.205 114.554 -0.872 0.000 2.894 300 T HA 0.522 6.780 4.350 3.179 0.000 0.309 300 T C -1.339 172.960 174.700 -0.669 0.000 1.208 300 T CA -0.126 61.605 62.100 -0.615 0.000 1.016 300 T CB 1.311 70.030 68.868 -0.249 0.000 1.192 300 T HN 0.820 nan 8.240 nan 0.000 0.491 301 S N 2.632 118.156 115.700 -0.293 0.000 2.688 301 S HA 0.500 6.877 4.470 3.179 0.000 0.275 301 S C 0.804 175.459 174.600 0.092 0.000 1.175 301 S CA -0.915 57.224 58.200 -0.102 0.000 0.818 301 S CB 0.562 63.755 63.200 -0.012 0.000 1.157 301 S HN 0.605 nan 8.310 nan 0.000 0.482 302 L N 1.456 122.710 121.223 0.052 0.000 2.265 302 L HA -0.009 6.238 4.340 3.179 0.000 0.215 302 L C 2.174 179.164 176.870 0.201 0.000 1.117 302 L CA 1.550 56.433 54.840 0.072 0.000 0.782 302 L CB -0.400 41.666 42.059 0.012 0.000 0.914 302 L HN 0.898 nan 8.230 nan 0.000 0.441 303 S N -2.898 112.949 115.700 0.244 0.000 2.554 303 S HA 0.105 6.483 4.470 3.179 0.000 0.226 303 S C 0.598 175.389 174.600 0.319 0.000 0.980 303 S CA -0.064 58.314 58.200 0.298 0.000 0.939 303 S CB 0.003 63.319 63.200 0.193 0.000 0.832 303 S HN 0.352 nan 8.310 nan 0.000 0.486 304 T N -0.271 114.445 114.554 0.270 0.000 3.109 304 T HA 0.577 6.835 4.350 3.179 0.000 0.311 304 T C -3.623 170.878 174.700 -0.332 0.000 1.011 304 T CA -2.016 60.065 62.100 -0.033 0.000 1.026 304 T CB 1.826 70.704 68.868 0.016 0.000 1.047 304 T HN -0.173 nan 8.240 nan 0.000 0.448 305 P HA 0.271 nan 4.420 nan 0.000 0.269 305 P C -2.552 174.435 177.300 -0.523 0.000 1.209 305 P CA -1.027 61.342 63.100 -1.217 0.000 0.776 305 P CB -0.614 30.322 31.700 -1.273 0.000 0.876 306 P HA -0.066 nan 4.420 nan 0.000 0.259 306 P C -0.137 177.097 177.300 -0.110 0.000 1.155 306 P CA 1.019 63.998 63.100 -0.202 0.000 0.759 306 P CB 0.096 31.704 31.700 -0.152 0.000 0.753 307 R N 2.568 123.042 120.500 -0.044 0.000 2.795 307 R HA 0.701 6.949 4.340 3.179 0.000 0.268 307 R C -1.220 175.060 176.300 -0.033 0.000 1.041 307 R CA -1.046 55.059 56.100 0.008 0.000 0.927 307 R CB 1.094 31.383 30.300 -0.019 0.000 1.235 307 R HN 0.052 nan 8.270 nan 0.000 0.463 308 I N 2.401 122.884 120.570 -0.146 0.000 2.354 308 I HA 0.425 6.502 4.170 3.179 0.000 0.292 308 I C 0.084 176.102 176.117 -0.165 0.000 0.989 308 I CA -0.791 60.397 61.300 -0.187 0.000 1.188 308 I CB 1.377 39.161 38.000 -0.359 0.000 1.342 308 I HN 0.624 nan 8.210 nan 0.000 0.457 309 V N 2.585 122.445 119.914 -0.090 0.000 2.962 309 V HA 0.676 6.704 4.120 3.179 0.000 0.313 309 V C -0.225 175.845 176.094 -0.040 0.000 1.099 309 V CA -0.668 61.593 62.300 -0.065 0.000 0.971 309 V CB 1.928 33.722 31.823 -0.048 0.000 1.028 309 V HN 0.719 nan 8.190 nan 0.000 0.430 310 S N 2.867 118.559 115.700 -0.014 0.000 2.525 310 S HA 0.740 7.117 4.470 3.179 0.000 0.278 310 S C -0.422 174.171 174.600 -0.013 0.000 1.234 310 S CA -0.630 57.584 58.200 0.024 0.000 1.058 310 S CB 0.279 63.523 63.200 0.073 0.000 0.983 310 S HN 0.700 nan 8.310 nan 0.000 0.495 311 L N 6.026 127.238 121.223 -0.018 0.000 2.360 311 L HA 0.478 6.725 4.340 3.179 0.000 0.271 311 L C -1.327 175.527 176.870 -0.027 0.000 1.057 311 L CA -1.930 52.881 54.840 -0.049 0.000 0.803 311 L CB 1.254 43.264 42.059 -0.081 0.000 1.207 311 L HN 0.554 nan 8.230 nan 0.000 0.445 312 P HA -0.015 nan 4.420 nan 0.000 0.255 312 P C 1.187 178.458 177.300 -0.049 0.000 1.248 312 P CA 0.329 63.396 63.100 -0.056 0.000 0.807 312 P CB 0.431 32.102 31.700 -0.049 0.000 1.150 313 S N 0.083 115.763 115.700 -0.034 0.000 2.383 313 S HA 0.020 6.397 4.470 3.179 0.000 0.227 313 S C 1.941 176.517 174.600 -0.040 0.000 1.026 313 S CA 1.389 59.572 58.200 -0.028 0.000 0.981 313 S CB -1.708 61.483 63.200 -0.014 0.000 0.818 313 S HN 0.286 nan 8.310 nan 0.000 0.472 314 G N 0.566 109.334 108.800 -0.055 0.000 2.179 314 G HA2 -0.233 5.635 3.960 3.179 0.000 0.260 314 G HA3 -0.233 5.635 3.960 3.179 0.000 0.260 314 G C -0.120 174.744 174.900 -0.061 0.000 0.977 314 G CA 0.270 45.322 45.100 -0.079 0.000 0.641 314 G HN 0.556 nan 8.290 nan 0.000 0.533 315 E N 1.718 121.897 120.200 -0.035 0.000 2.415 315 E HA 0.199 6.457 4.350 3.179 0.000 0.263 315 E C -1.871 174.704 176.600 -0.042 0.000 0.995 315 E CA -1.206 55.178 56.400 -0.027 0.000 0.915 315 E CB 0.829 30.526 29.700 -0.005 0.000 0.951 315 E HN 0.300 nan 8.360 nan 0.000 0.449 316 P HA 0.031 nan 4.420 nan 0.000 0.271 316 P C 0.525 177.749 177.300 -0.126 0.000 1.220 316 P CA 0.190 63.234 63.100 -0.094 0.000 0.768 316 P CB 0.773 32.421 31.700 -0.087 0.000 0.848 317 L N 2.404 123.499 121.223 -0.213 0.000 2.168 317 L HA 0.197 6.444 4.340 3.179 0.000 0.203 317 L C 1.065 177.582 176.870 -0.588 0.000 1.078 317 L CA 0.852 55.495 54.840 -0.329 0.000 0.780 317 L CB -0.072 41.747 42.059 -0.400 0.000 0.939 317 L HN 0.312 nan 8.230 nan 0.000 0.451 318 L N -0.072 120.762 121.223 -0.648 0.000 2.436 318 L HA 0.464 6.712 4.340 3.179 0.000 0.268 318 L C -1.005 175.516 176.870 -0.582 0.000 0.974 318 L CA -0.308 54.047 54.840 -0.808 0.000 0.826 318 L CB 2.701 43.967 42.059 -1.323 0.000 1.291 318 L HN -0.021 nan 8.230 nan 0.000 0.406 319 E N 1.456 121.441 120.200 -0.359 0.000 2.347 319 E HA 0.382 6.639 4.350 3.179 0.000 0.285 319 E C -0.675 175.961 176.600 0.061 0.000 0.925 319 E CA -0.616 55.740 56.400 -0.073 0.000 0.779 319 E CB 2.051 31.695 29.700 -0.093 0.000 1.233 319 E HN 0.705 nan 8.360 nan 0.000 0.414 320 G N 1.919 110.791 108.800 0.121 0.000 2.398 320 G HA2 0.405 6.272 3.960 3.179 0.000 0.246 320 G HA3 0.405 6.272 3.960 3.179 0.000 0.246 320 G C 0.331 175.210 174.900 -0.036 0.000 1.289 320 G CA 0.114 45.229 45.100 0.025 0.000 0.869 320 G HN 0.430 nan 8.290 nan 0.000 0.543 321 G N 0.715 109.499 108.800 -0.026 0.000 2.378 321 G HA2 0.454 6.322 3.960 3.179 0.000 0.255 321 G HA3 0.454 6.322 3.960 3.179 0.000 0.255 321 G C -0.443 174.441 174.900 -0.028 0.000 1.270 321 G CA -0.299 44.786 45.100 -0.024 0.000 0.876 321 G HN 0.411 nan 8.290 nan 0.000 0.521 322 L N 2.993 124.205 121.223 -0.019 0.000 2.370 322 L HA 0.510 6.758 4.340 3.179 0.000 0.266 322 L C -1.926 174.951 176.870 0.011 0.000 1.002 322 L CA -2.212 52.628 54.840 0.001 0.000 0.818 322 L CB 1.467 43.533 42.059 0.010 0.000 1.325 322 L HN 0.353 nan 8.230 nan 0.000 0.418 323 P HA 0.250 nan 4.420 nan 0.000 0.268 323 P C 0.900 178.216 177.300 0.026 0.000 1.208 323 P CA 0.193 63.306 63.100 0.021 0.000 0.777 323 P CB 0.555 32.270 31.700 0.024 0.000 0.875 324 E N 1.307 121.521 120.200 0.023 0.000 2.058 324 E HA -0.256 6.001 4.350 3.179 0.000 0.194 324 E C 1.459 178.079 176.600 0.034 0.000 0.997 324 E CA 2.057 58.472 56.400 0.026 0.000 0.801 324 E CB -1.329 28.384 29.700 0.022 0.000 0.746 324 E HN 0.565 nan 8.360 nan 0.000 0.450 325 D N -0.352 120.067 120.400 0.032 0.000 2.178 325 D HA -0.071 6.477 4.640 3.179 0.000 0.202 325 D C 1.883 178.211 176.300 0.046 0.000 0.974 325 D CA 0.901 54.922 54.000 0.036 0.000 0.841 325 D CB -0.105 40.712 40.800 0.029 0.000 0.953 325 D HN 0.328 nan 8.370 nan 0.000 0.478 326 L N 1.010 122.263 121.223 0.050 0.000 2.072 326 L HA -0.010 6.238 4.340 3.179 0.000 0.205 326 L C 2.048 178.969 176.870 0.086 0.000 1.079 326 L CA 1.489 56.369 54.840 0.067 0.000 0.752 326 L CB -0.395 41.704 42.059 0.066 0.000 0.906 326 L HN -0.147 nan 8.230 nan 0.000 0.436 327 R N -0.514 120.032 120.500 0.077 0.000 2.096 327 R HA -0.156 6.092 4.340 3.179 0.000 0.235 327 R C 2.266 178.620 176.300 0.090 0.000 1.127 327 R CA 1.694 57.847 56.100 0.088 0.000 0.968 327 R CB -0.380 29.957 30.300 0.062 0.000 0.861 327 R HN 0.452 nan 8.270 nan 0.000 0.440 328 R N 0.749 121.292 120.500 0.072 0.000 2.236 328 R HA -0.018 6.229 4.340 3.179 0.000 0.208 328 R C 1.950 178.295 176.300 0.075 0.000 1.036 328 R CA 1.411 57.552 56.100 0.069 0.000 1.001 328 R CB -0.935 29.396 30.300 0.053 0.000 0.896 328 R HN 0.462 nan 8.270 nan 0.000 0.464 329 S N -0.171 115.575 115.700 0.076 0.000 2.489 329 S HA 0.118 6.495 4.470 3.179 0.000 0.228 329 S C 1.006 175.666 174.600 0.100 0.000 0.995 329 S CA 0.533 58.779 58.200 0.077 0.000 0.934 329 S CB -0.229 63.011 63.200 0.066 0.000 0.771 329 S HN 0.482 nan 8.310 nan 0.000 0.522 330 I N 2.314 122.953 120.570 0.116 0.000 2.517 330 I HA 0.355 6.433 4.170 3.179 0.000 0.289 330 I C 0.539 176.739 176.117 0.138 0.000 1.149 330 I CA -0.425 60.956 61.300 0.136 0.000 1.189 330 I CB 0.393 38.496 38.000 0.172 0.000 1.641 330 I HN 0.259 nan 8.210 nan 0.000 0.560 331 A N 4.321 127.220 122.820 0.132 0.000 3.118 331 A HA 0.608 6.835 4.320 3.179 0.000 0.256 331 A C 1.034 178.693 177.584 0.124 0.000 1.667 331 A CA 0.220 52.330 52.037 0.121 0.000 1.338 331 A CB -0.949 18.120 19.000 0.115 0.000 1.127 331 A HN 0.796 nan 8.150 nan 0.000 0.634 332 G N 0.224 109.102 108.800 0.130 0.000 2.716 332 G HA2 0.171 6.038 3.960 3.179 0.000 0.686 332 G HA3 0.171 6.038 3.960 3.179 0.000 0.686 332 G C -0.167 174.818 174.900 0.141 0.000 1.337 332 G CA -0.291 44.887 45.100 0.130 0.000 0.829 332 G HN 1.864 nan 8.290 nan 0.000 0.599 333 S N 0.537 116.327 115.700 0.151 0.000 2.648 333 S HA 0.972 7.349 4.470 3.179 0.000 0.305 333 S C 0.007 174.721 174.600 0.190 0.000 1.094 333 S CA -0.135 58.172 58.200 0.179 0.000 0.983 333 S CB 2.427 65.737 63.200 0.184 0.000 1.101 333 S HN 1.575 nan 8.310 nan 0.000 0.514 334 R N -0.302 120.321 120.500 0.206 0.000 2.734 334 R HA 0.699 6.946 4.340 3.179 0.000 0.271 334 R C -2.033 174.271 176.300 0.007 0.000 1.021 334 R CA -1.108 55.081 56.100 0.147 0.000 0.893 334 R CB 0.721 31.079 30.300 0.096 0.000 1.244 334 R HN 0.503 nan 8.270 nan 0.000 0.464 335 L N 1.984 123.091 121.223 -0.192 0.000 2.275 335 L HA 0.526 6.774 4.340 3.179 0.000 0.288 335 L C -0.674 175.948 176.870 -0.413 0.000 1.046 335 L CA -0.461 54.004 54.840 -0.626 0.000 0.805 335 L CB 1.744 43.401 42.059 -0.671 0.000 1.193 335 L HN 0.603 nan 8.230 nan 0.000 0.426 336 V N 1.649 121.228 119.914 -0.558 0.000 2.769 336 V HA 0.633 6.661 4.120 3.179 0.000 0.312 336 V C -1.267 174.453 176.094 -0.623 0.000 1.061 336 V CA -0.823 61.178 62.300 -0.499 0.000 0.931 336 V CB 1.598 32.990 31.823 -0.718 0.000 1.010 336 V HN 0.812 nan 8.190 nan 0.000 0.433 337 W N 2.608 123.681 121.300 -0.377 0.000 2.278 337 W HA 0.698 7.267 4.660 3.181 0.000 0.317 337 W C -0.404 175.925 176.519 -0.317 0.000 1.030 337 W CA -0.545 56.608 57.345 -0.321 0.000 1.334 337 W CB 1.808 31.129 29.460 -0.232 0.000 1.215 337 W HN 0.526 nan 8.180 nan 0.000 0.405 338 V N 4.481 124.294 119.914 -0.168 0.000 2.407 338 V HA 0.161 6.188 4.120 3.179 0.000 0.278 338 V C 0.430 176.541 176.094 0.028 0.000 1.037 338 V CA -1.015 61.193 62.300 -0.153 0.000 0.900 338 V CB 1.057 32.756 31.823 -0.207 0.000 0.983 338 V HN 0.319 nan 8.190 nan 0.000 0.459 339 E N 2.725 122.971 120.200 0.078 0.000 2.299 339 E HA 0.222 6.479 4.350 3.179 0.000 0.272 339 E C 0.014 176.696 176.600 0.137 0.000 1.043 339 E CA 0.134 56.594 56.400 0.100 0.000 0.895 339 E CB 1.542 31.297 29.700 0.092 0.000 1.011 339 E HN 0.634 nan 8.360 nan 0.000 0.432 340 S N 1.804 117.599 115.700 0.160 0.000 2.718 340 S HA 0.297 6.674 4.470 3.179 0.000 0.292 340 S C 0.971 175.709 174.600 0.229 0.000 1.125 340 S CA -0.684 57.661 58.200 0.242 0.000 1.013 340 S CB 0.335 63.740 63.200 0.341 0.000 1.192 340 S HN 0.542 nan 8.310 nan 0.000 0.535 341 F N 1.033 121.040 119.950 0.094 0.000 2.293 341 F HA 0.122 6.557 4.527 3.180 0.000 0.300 341 F C 1.458 177.297 175.800 0.066 0.000 1.086 341 F CA 1.292 59.334 58.000 0.070 0.000 1.375 341 F CB -0.202 38.833 39.000 0.059 0.000 1.045 341 F HN 0.519 nan 8.300 nan 0.000 0.516 342 D N -0.575 119.303 120.400 -0.870 0.000 2.402 342 D HA 0.216 6.764 4.640 3.179 0.000 0.216 342 D C 1.640 177.765 176.300 -0.293 0.000 1.128 342 D CA 0.470 53.982 54.000 -0.813 0.000 0.833 342 D CB 0.198 40.339 40.800 -1.098 0.000 0.971 342 D HN 0.501 nan 8.370 nan 0.000 0.503 343 G N -0.098 108.616 108.800 -0.142 0.000 2.176 343 G HA2 -0.243 5.624 3.960 3.179 0.000 0.232 343 G HA3 -0.243 5.624 3.960 3.179 0.000 0.232 343 G C 0.257 175.150 174.900 -0.012 0.000 0.986 343 G CA 0.112 45.178 45.100 -0.056 0.000 0.643 343 G HN 0.393 nan 8.290 nan 0.000 0.522 344 S N 0.018 115.737 115.700 0.033 0.000 2.601 344 S HA 0.671 7.049 4.470 3.179 0.000 0.271 344 S C 0.519 175.173 174.600 0.091 0.000 1.305 344 S CA -0.342 57.918 58.200 0.101 0.000 1.022 344 S CB 1.028 64.407 63.200 0.299 0.000 0.940 344 S HN 0.450 nan 8.310 nan 0.000 0.525 345 R N 1.154 121.670 120.500 0.027 0.000 2.343 345 R HA 0.567 6.814 4.340 3.179 0.000 0.320 345 R C -0.549 175.764 176.300 0.023 0.000 0.956 345 R CA -0.400 55.751 56.100 0.085 0.000 0.836 345 R CB 1.084 31.459 30.300 0.124 0.000 1.151 345 R HN 0.516 nan 8.270 nan 0.000 0.450 346 V N 4.223 124.133 119.914 -0.006 0.000 2.406 346 V HA 0.382 6.410 4.120 3.179 0.000 0.272 346 V C -2.120 173.704 176.094 -0.451 0.000 1.043 346 V CA -2.513 59.706 62.300 -0.136 0.000 0.915 346 V CB 0.567 32.444 31.823 0.091 0.000 0.988 346 V HN 0.512 nan 8.190 nan 0.000 0.466 347 P HA 0.381 nan 4.420 nan 0.000 0.276 347 P C -0.385 176.465 177.300 -0.750 0.000 1.243 347 P CA 0.213 62.491 63.100 -1.369 0.000 0.768 347 P CB 0.709 31.300 31.700 -1.849 0.000 0.856 348 T N 3.600 117.721 114.554 -0.722 0.000 3.011 348 T HA 0.318 6.576 4.350 3.179 0.000 0.303 348 T C -0.850 173.587 174.700 -0.440 0.000 0.997 348 T CA -0.196 61.658 62.100 -0.410 0.000 1.007 348 T CB 0.326 68.979 68.868 -0.359 0.000 1.017 348 T HN 0.115 nan 8.240 nan 0.000 0.443 349 Y N 1.663 121.885 120.300 -0.130 0.000 2.310 349 Y HA 0.561 7.018 4.550 3.179 0.000 0.326 349 Y C 0.252 176.150 175.900 -0.003 0.000 1.151 349 Y CA -0.510 57.550 58.100 -0.067 0.000 1.195 349 Y CB 1.159 39.608 38.460 -0.018 0.000 1.210 349 Y HN 0.306 nan 8.280 nan 0.000 0.483 350 V N 5.124 125.146 119.914 0.180 0.000 2.487 350 V HA 0.276 6.303 4.120 3.179 0.000 0.298 350 V C -1.076 175.141 176.094 0.205 0.000 1.028 350 V CA -0.838 61.579 62.300 0.194 0.000 0.860 350 V CB 1.759 33.705 31.823 0.204 0.000 0.991 350 V HN 0.452 nan 8.190 nan 0.000 0.427 351 L N 4.913 126.257 121.223 0.201 0.000 2.313 351 L HA 0.525 6.773 4.340 3.179 0.000 0.273 351 L C 0.316 177.316 176.870 0.216 0.000 1.028 351 L CA 0.144 55.093 54.840 0.181 0.000 0.871 351 L CB 0.750 42.893 42.059 0.140 0.000 1.242 351 L HN 0.668 nan 8.230 nan 0.000 0.434 352 E N 1.786 122.105 120.200 0.198 0.000 2.413 352 E HA 0.083 6.340 4.350 3.179 0.000 0.263 352 E C -0.329 176.461 176.600 0.317 0.000 1.015 352 E CA 0.068 56.618 56.400 0.250 0.000 0.916 352 E CB 0.786 30.555 29.700 0.116 0.000 0.947 352 E HN 0.578 nan 8.360 nan 0.000 0.440 353 S N 1.327 117.325 115.700 0.497 0.000 2.480 353 S HA 0.308 6.685 4.470 3.179 0.000 0.286 353 S C 0.978 175.685 174.600 0.178 0.000 1.180 353 S CA -0.406 57.925 58.200 0.218 0.000 1.075 353 S CB 1.180 64.395 63.200 0.026 0.000 0.996 353 S HN 0.622 nan 8.310 nan 0.000 0.487 354 G N 3.656 112.527 108.800 0.118 0.000 2.744 354 G HA2 0.012 5.879 3.960 3.179 0.000 0.211 354 G HA3 0.012 5.879 3.960 3.179 0.000 0.211 354 G C 0.996 175.924 174.900 0.047 0.000 1.143 354 G CA -0.103 45.051 45.100 0.090 0.000 0.788 354 G HN 0.734 nan 8.290 nan 0.000 0.534 355 R N 0.079 120.587 120.500 0.013 0.000 2.515 355 R HA 0.492 6.739 4.340 3.179 0.000 0.294 355 R C 0.053 176.296 176.300 -0.095 0.000 1.021 355 R CA -0.023 56.058 56.100 -0.032 0.000 1.081 355 R CB 0.696 30.975 30.300 -0.035 0.000 1.263 355 R HN 0.221 nan 8.270 nan 0.000 0.557 356 A N 1.753 124.516 122.820 -0.095 0.000 2.393 356 A HA 0.594 6.822 4.320 3.179 0.000 0.306 356 A C -2.488 175.089 177.584 -0.011 0.000 1.050 356 A CA -1.660 50.264 52.037 -0.187 0.000 0.724 356 A CB 1.273 19.911 19.000 -0.604 0.000 1.248 356 A HN -0.080 nan 8.150 nan 0.000 0.424 357 P HA 0.461 nan 4.420 nan 0.000 0.277 357 P C -0.523 176.878 177.300 0.167 0.000 1.276 357 P CA -0.023 63.115 63.100 0.064 0.000 0.788 357 P CB 0.603 32.314 31.700 0.018 0.000 1.114 358 T N 1.029 115.648 114.554 0.110 0.000 2.906 358 T HA 0.381 6.638 4.350 3.179 0.000 0.302 358 T C -2.244 172.473 174.700 0.028 0.000 1.002 358 T CA -0.907 61.245 62.100 0.087 0.000 0.988 358 T CB 0.703 69.591 68.868 0.033 0.000 0.972 358 T HN 0.381 nan 8.240 nan 0.000 0.447 359 P HA 0.597 nan 4.420 nan 0.000 0.272 359 P C 0.006 177.357 177.300 0.085 0.000 1.240 359 P CA -0.181 62.942 63.100 0.038 0.000 0.791 359 P CB 0.768 32.466 31.700 -0.004 0.000 0.978 360 G N -0.292 108.593 108.800 0.141 0.000 2.608 360 G HA2 0.511 6.378 3.960 3.179 0.000 0.291 360 G HA3 0.511 6.378 3.960 3.179 0.000 0.291 360 G C -3.373 171.577 174.900 0.083 0.000 1.425 360 G CA -1.143 44.001 45.100 0.073 0.000 0.787 360 G HN 0.231 nan 8.290 nan 0.000 0.484 361 P HA 0.355 nan 4.420 nan 0.000 0.266 361 P C -0.488 176.977 177.300 0.274 0.000 1.195 361 P CA 0.333 63.523 63.100 0.150 0.000 0.768 361 P CB 1.009 32.740 31.700 0.052 0.000 0.838 362 T N 1.872 116.686 114.554 0.432 0.000 2.991 362 T HA 0.340 6.597 4.350 3.179 0.000 0.303 362 T C -0.649 174.329 174.700 0.464 0.000 1.015 362 T CA -0.440 61.918 62.100 0.430 0.000 1.007 362 T CB 0.994 70.060 68.868 0.331 0.000 1.034 362 T HN -0.038 nan 8.240 nan 0.000 0.446 363 V N 3.350 123.500 119.914 0.394 0.000 2.427 363 V HA 0.391 6.418 4.120 3.179 0.000 0.286 363 V C 0.150 176.378 176.094 0.223 0.000 1.034 363 V CA -0.788 61.672 62.300 0.267 0.000 0.893 363 V CB 1.723 33.588 31.823 0.070 0.000 0.982 363 V HN 0.731 nan 8.190 nan 0.000 0.452 364 V N 6.410 126.441 119.914 0.196 0.000 2.372 364 V HA 0.232 6.259 4.120 3.179 0.000 0.261 364 V C -0.055 176.075 176.094 0.061 0.000 1.055 364 V CA -0.213 62.187 62.300 0.166 0.000 0.930 364 V CB 1.059 33.015 31.823 0.222 0.000 1.031 364 V HN 0.636 nan 8.190 nan 0.000 0.479 365 L N 7.758 129.036 121.223 0.092 0.000 2.259 365 L HA 0.457 6.705 4.340 3.179 0.000 0.288 365 L C -0.128 176.793 176.870 0.085 0.000 1.051 365 L CA 0.336 55.213 54.840 0.062 0.000 0.824 365 L CB 1.196 43.306 42.059 0.085 0.000 1.206 365 L HN 0.429 nan 8.230 nan 0.000 0.429 366 V N 5.074 125.011 119.914 0.038 0.000 2.406 366 V HA 0.228 6.255 4.120 3.179 0.000 0.272 366 V C 0.081 176.258 176.094 0.139 0.000 1.043 366 V CA -0.737 61.606 62.300 0.071 0.000 0.915 366 V CB 0.448 32.239 31.823 -0.054 0.000 0.988 366 V HN 0.908 nan 8.190 nan 0.000 0.466 367 H N 2.981 122.220 119.070 0.281 0.000 2.679 367 H HA 0.587 7.050 4.556 3.178 0.000 0.369 367 H C 0.590 176.100 175.328 0.303 0.000 1.178 367 H CA 0.195 56.372 56.048 0.214 0.000 1.419 367 H CB 0.576 30.424 29.762 0.144 0.000 1.458 367 H HN 0.658 nan 8.280 nan 0.000 0.605 368 G N -0.169 108.897 108.800 0.443 0.000 2.494 368 G HA2 0.492 6.360 3.960 3.179 0.000 0.270 368 G HA3 0.492 6.360 3.960 3.179 0.000 0.270 368 G C 0.481 175.647 174.900 0.443 0.000 1.423 368 G CA -0.328 45.004 45.100 0.387 0.000 1.055 368 G HN 1.313 nan 8.290 nan 0.000 0.536 369 G N -0.869 108.086 108.800 0.258 0.000 1.920 369 G HA2 -0.109 5.758 3.960 3.179 0.000 0.210 369 G HA3 -0.109 5.758 3.960 3.179 0.000 0.210 369 G C -1.178 173.656 174.900 -0.110 0.000 1.302 369 G CA 0.577 45.733 45.100 0.095 0.000 1.333 369 G HN 0.744 nan 8.290 nan 0.000 0.452 370 P HA 0.173 nan 4.420 nan 0.000 0.229 370 P C 0.551 177.768 177.300 -0.137 0.000 1.160 370 P CA 0.554 63.395 63.100 -0.431 0.000 0.777 370 P CB -0.225 30.881 31.700 -0.991 0.000 0.814 371 F N 0.962 120.908 119.950 -0.006 0.000 2.659 371 F HA 0.446 6.882 4.527 3.181 0.000 0.360 371 F C 1.229 177.018 175.800 -0.018 0.000 1.218 371 F CA -0.926 57.068 58.000 -0.011 0.000 1.317 371 F CB -0.152 38.839 39.000 -0.015 0.000 1.697 371 F HN -0.001 nan 8.300 nan 0.000 0.637 372 A N 1.236 124.094 122.820 0.063 0.000 2.504 372 A HA 0.795 7.022 4.320 3.179 0.000 0.285 372 A C -1.181 176.153 177.584 -0.417 0.000 1.261 372 A CA -0.696 51.254 52.037 -0.146 0.000 0.741 372 A CB 2.095 20.998 19.000 -0.161 0.000 1.327 372 A HN 0.407 nan 8.150 nan 0.000 0.441 373 E N -0.016 119.925 120.200 -0.431 0.000 2.331 373 E HA 0.386 6.644 4.350 3.179 0.000 0.275 373 E C -1.889 174.573 176.600 -0.229 0.000 0.895 373 E CA -0.591 55.635 56.400 -0.291 0.000 0.753 373 E CB 1.714 31.384 29.700 -0.050 0.000 1.216 373 E HN 0.510 nan 8.360 nan 0.000 0.434 374 D N 2.569 122.930 120.400 -0.064 0.000 2.428 374 D HA 0.197 6.744 4.640 3.179 0.000 0.221 374 D C -0.427 175.900 176.300 0.046 0.000 1.123 374 D CA 0.093 54.117 54.000 0.040 0.000 0.869 374 D CB 1.246 42.153 40.800 0.179 0.000 1.032 374 D HN 0.402 nan 8.370 nan 0.000 0.506 375 S N 1.120 116.758 115.700 -0.104 0.000 2.767 375 S HA 0.308 6.685 4.470 3.179 0.000 0.300 375 S C 0.065 174.299 174.600 -0.609 0.000 1.123 375 S CA -0.945 57.088 58.200 -0.279 0.000 0.992 375 S CB 1.835 64.953 63.200 -0.137 0.000 1.138 375 S HN 0.140 nan 8.310 nan 0.000 0.550 376 D N 0.916 120.838 120.400 -0.797 0.000 2.508 376 D HA 0.473 7.020 4.640 3.179 0.000 0.224 376 D C -0.846 175.293 176.300 -0.269 0.000 1.171 376 D CA 0.324 53.964 54.000 -0.599 0.000 1.006 376 D CB -0.709 39.828 40.800 -0.437 0.000 1.073 376 D HN 0.435 nan 8.370 nan 0.000 0.513 377 S N 2.122 117.707 115.700 -0.192 0.000 2.579 377 S HA 0.267 6.644 4.470 3.179 0.000 0.272 377 S C -1.117 173.496 174.600 0.022 0.000 1.141 377 S CA -0.938 57.214 58.200 -0.081 0.000 0.843 377 S CB 1.330 64.486 63.200 -0.073 0.000 1.122 377 S HN 0.423 nan 8.310 nan 0.000 0.468 378 W N 3.118 124.347 121.300 -0.118 0.000 2.251 378 W HA 0.275 6.843 4.660 3.181 0.000 0.327 378 W C -1.021 175.479 176.519 -0.031 0.000 1.361 378 W CA 0.720 58.020 57.345 -0.074 0.000 1.234 378 W CB 0.464 29.875 29.460 -0.082 0.000 1.212 378 W HN 0.632 nan 8.180 nan 0.000 0.557 379 D N 4.414 124.413 120.400 -0.669 0.000 2.479 379 D HA 0.132 6.679 4.640 3.179 0.000 0.246 379 D C 0.888 176.754 176.300 -0.724 0.000 1.336 379 D CA -0.346 53.373 54.000 -0.470 0.000 0.967 379 D CB 1.404 42.099 40.800 -0.175 0.000 1.275 379 D HN 0.298 nan 8.370 nan 0.000 0.577 380 T N 2.407 116.584 114.554 -0.628 0.000 2.685 380 T HA -0.187 6.071 4.350 3.179 0.000 0.268 380 T C 1.675 176.159 174.700 -0.360 0.000 1.034 380 T CA 1.325 63.136 62.100 -0.482 0.000 1.149 380 T CB -0.366 68.312 68.868 -0.317 0.000 0.860 380 T HN 0.421 nan 8.240 nan 0.000 0.449 381 F N 1.793 121.605 119.950 -0.230 0.000 2.069 381 F HA -0.044 6.385 4.527 3.170 0.000 0.298 381 F C 2.794 178.515 175.800 -0.132 0.000 1.113 381 F CA 1.086 59.001 58.000 -0.141 0.000 1.214 381 F CB -0.998 37.951 39.000 -0.085 0.000 0.978 381 F HN 0.143 nan 8.300 nan 0.000 0.474 382 A N -0.054 122.784 122.820 0.030 0.000 1.902 382 A HA -0.074 6.153 4.320 3.179 0.000 0.217 382 A C 2.385 179.927 177.584 -0.069 0.000 1.181 382 A CA 1.828 53.858 52.037 -0.012 0.000 0.623 382 A CB -1.367 17.606 19.000 -0.045 0.000 0.818 382 A HN 0.328 nan 8.150 nan 0.000 0.443 383 A N -0.618 122.059 122.820 -0.238 0.000 1.902 383 A HA -0.074 6.154 4.320 3.179 0.000 0.217 383 A C 2.446 179.983 177.584 -0.078 0.000 1.181 383 A CA 2.085 53.985 52.037 -0.230 0.000 0.623 383 A CB -0.906 17.751 19.000 -0.572 0.000 0.818 383 A HN 0.448 nan 8.150 nan 0.000 0.443 384 S N -0.167 115.476 115.700 -0.096 0.000 2.382 384 S HA -0.088 6.289 4.470 3.179 0.000 0.228 384 S C 1.805 176.428 174.600 0.039 0.000 1.027 384 S CA 1.423 59.601 58.200 -0.038 0.000 0.991 384 S CB -0.435 62.704 63.200 -0.102 0.000 0.823 384 S HN 0.502 nan 8.310 nan 0.000 0.469 385 L N 0.949 122.202 121.223 0.051 0.000 2.056 385 L HA -0.101 6.147 4.340 3.179 0.000 0.207 385 L C 2.775 179.784 176.870 0.232 0.000 1.078 385 L CA 1.135 56.052 54.840 0.129 0.000 0.749 385 L CB -0.663 41.436 42.059 0.066 0.000 0.901 385 L HN 0.316 nan 8.230 nan 0.000 0.433 386 A N 0.113 123.020 122.820 0.146 0.000 1.902 386 A HA -0.171 6.057 4.320 3.179 0.000 0.217 386 A C 2.532 180.180 177.584 0.106 0.000 1.181 386 A CA 1.677 53.795 52.037 0.135 0.000 0.623 386 A CB -0.728 18.340 19.000 0.114 0.000 0.818 386 A HN 0.390 nan 8.150 nan 0.000 0.443 387 A N -0.420 122.456 122.820 0.094 0.000 1.978 387 A HA 0.187 6.414 4.320 3.179 0.000 0.220 387 A C 2.164 179.795 177.584 0.078 0.000 1.170 387 A CA 1.879 53.964 52.037 0.079 0.000 0.636 387 A CB -0.671 18.372 19.000 0.073 0.000 0.810 387 A HN 1.147 nan 8.150 nan 0.000 0.448 388 A N -1.864 121.034 122.820 0.130 0.000 2.337 388 A HA 0.455 6.682 4.320 3.179 0.000 0.227 388 A C 1.484 179.085 177.584 0.028 0.000 1.259 388 A CA 0.962 53.087 52.037 0.145 0.000 0.870 388 A CB -0.884 18.284 19.000 0.281 0.000 0.927 388 A HN 1.890 nan 8.150 nan 0.000 0.497 389 G N -1.353 107.432 108.800 -0.025 0.000 2.142 389 G HA2 -0.213 5.655 3.960 3.179 0.000 0.225 389 G HA3 -0.213 5.655 3.960 3.179 0.000 0.225 389 G C -0.280 174.332 174.900 -0.480 0.000 1.015 389 G CA -0.007 44.948 45.100 -0.242 0.000 0.716 389 G HN 0.332 nan 8.290 nan 0.000 0.508 390 F N 1.256 121.162 119.950 -0.073 0.000 2.469 390 F HA 0.583 7.019 4.527 3.182 0.000 0.332 390 F C 0.994 176.764 175.800 -0.049 0.000 1.103 390 F CA -1.241 56.723 58.000 -0.061 0.000 0.979 390 F CB 1.018 40.039 39.000 0.036 0.000 1.137 390 F HN 0.065 nan 8.300 nan 0.000 0.463 391 H N 1.581 120.807 119.070 0.259 0.000 2.771 391 H HA 0.407 6.871 4.556 3.180 0.000 0.364 391 H C -0.401 175.073 175.328 0.245 0.000 1.133 391 H CA -0.098 56.077 56.048 0.212 0.000 1.423 391 H CB 1.136 31.001 29.762 0.172 0.000 1.425 391 H HN 0.275 nan 8.280 nan 0.000 0.606 392 V N 2.702 122.817 119.914 0.334 0.000 2.540 392 V HA 0.273 6.301 4.120 3.179 0.000 0.302 392 V C -0.096 176.148 176.094 0.250 0.000 1.035 392 V CA -0.794 61.659 62.300 0.255 0.000 0.873 392 V CB 2.148 34.081 31.823 0.183 0.000 0.992 392 V HN 0.437 nan 8.190 nan 0.000 0.428 393 V N 5.608 125.668 119.914 0.242 0.000 2.443 393 V HA 0.504 6.532 4.120 3.179 0.000 0.293 393 V C -0.388 175.824 176.094 0.197 0.000 1.021 393 V CA -0.318 62.129 62.300 0.244 0.000 0.848 393 V CB 1.666 33.681 31.823 0.319 0.000 0.998 393 V HN 0.904 nan 8.190 nan 0.000 0.424 394 M N 8.520 128.225 119.600 0.174 0.000 2.023 394 M HA 0.418 6.806 4.480 3.179 0.000 0.325 394 M C -2.824 173.573 176.300 0.162 0.000 0.963 394 M CA -1.436 53.972 55.300 0.181 0.000 0.928 394 M CB 2.293 35.008 32.600 0.192 0.000 1.429 394 M HN 0.333 nan 8.290 nan 0.000 0.404 395 P HA 0.211 nan 4.420 nan 0.000 0.301 395 P C -1.166 176.265 177.300 0.218 0.000 1.338 395 P CA -0.489 62.698 63.100 0.145 0.000 0.834 395 P CB 0.859 32.664 31.700 0.176 0.000 0.967 396 N N 3.667 122.438 118.700 0.117 0.000 2.895 396 N HA 0.042 6.689 4.740 3.179 0.000 0.277 396 N C 0.253 175.924 175.510 0.267 0.000 1.185 396 N CA -0.018 53.119 53.050 0.145 0.000 1.106 396 N CB -0.433 38.068 38.487 0.023 0.000 1.422 396 N HN 0.479 nan 8.380 nan 0.000 0.521 397 Y N 0.077 120.540 120.300 0.271 0.000 2.511 397 Y HA 0.065 6.523 4.550 3.179 0.000 0.347 397 Y C 1.141 177.086 175.900 0.076 0.000 1.257 397 Y CA -1.287 56.941 58.100 0.212 0.000 1.469 397 Y CB 0.354 38.853 38.460 0.066 0.000 1.353 397 Y HN 0.277 nan 8.280 nan 0.000 0.617 398 R N 1.260 121.644 120.500 -0.194 0.000 2.570 398 R HA 0.387 6.634 4.340 3.179 0.000 0.277 398 R C 0.782 176.862 176.300 -0.367 0.000 1.039 398 R CA 0.482 55.944 56.100 -1.064 0.000 1.065 398 R CB -0.109 29.473 30.300 -1.197 0.000 0.964 398 R HN 1.344 nan 8.270 nan 0.000 0.428 399 G N 1.769 110.344 108.800 -0.375 0.000 2.284 399 G HA2 -0.272 5.595 3.960 3.179 0.000 0.216 399 G HA3 -0.272 5.595 3.960 3.179 0.000 0.216 399 G C -0.059 174.898 174.900 0.094 0.000 1.009 399 G CA 0.064 45.161 45.100 -0.005 0.000 0.625 399 G HN 0.673 nan 8.290 nan 0.000 0.501 400 S N 1.525 117.215 115.700 -0.018 0.000 2.576 400 S HA 0.508 6.885 4.470 3.179 0.000 0.272 400 S C 0.905 175.654 174.600 0.249 0.000 1.352 400 S CA 0.661 58.940 58.200 0.133 0.000 1.021 400 S CB 1.077 64.408 63.200 0.218 0.000 0.887 400 S HN 1.261 nan 8.310 nan 0.000 0.542 401 T N -1.629 113.035 114.554 0.183 0.000 2.912 401 T HA 0.652 6.909 4.350 3.179 0.000 0.280 401 T C 1.090 175.906 174.700 0.194 0.000 0.989 401 T CA -0.093 62.103 62.100 0.160 0.000 0.995 401 T CB 1.078 69.993 68.868 0.080 0.000 1.077 401 T HN 1.276 nan 8.240 nan 0.000 0.531 402 G N -0.167 108.685 108.800 0.085 0.000 2.175 402 G HA2 -0.212 5.655 3.960 3.179 0.000 0.244 402 G HA3 -0.212 5.655 3.960 3.179 0.000 0.244 402 G C -0.004 174.637 174.900 -0.431 0.000 0.982 402 G CA 0.192 45.216 45.100 -0.127 0.000 0.641 402 G HN 0.812 nan 8.290 nan 0.000 0.527 403 Y N 0.473 120.832 120.300 0.098 0.000 2.685 403 Y HA 0.492 6.949 4.550 3.178 0.000 0.257 403 Y C 1.130 177.092 175.900 0.103 0.000 1.053 403 Y CA 0.122 58.262 58.100 0.067 0.000 1.106 403 Y CB 0.990 39.427 38.460 -0.038 0.000 1.193 403 Y HN 1.270 nan 8.280 nan 0.000 0.602 404 G N 0.555 109.448 108.800 0.154 0.000 2.712 404 G HA2 -0.245 5.622 3.960 3.179 0.000 0.686 404 G HA3 -0.245 5.622 3.960 3.179 0.000 0.686 404 G C 0.206 175.194 174.900 0.146 0.000 1.321 404 G CA -0.138 45.035 45.100 0.122 0.000 0.813 404 G HN 0.253 nan 8.290 nan 0.000 0.599 405 E N -0.134 120.111 120.200 0.075 0.000 2.150 405 E HA -0.061 6.196 4.350 3.179 0.000 0.193 405 E C 2.166 178.807 176.600 0.069 0.000 0.985 405 E CA 2.007 58.430 56.400 0.039 0.000 0.814 405 E CB -0.095 29.600 29.700 -0.009 0.000 0.752 405 E HN 0.674 nan 8.360 nan 0.000 0.466 406 E N -0.371 119.893 120.200 0.108 0.000 2.058 406 E HA -0.216 6.041 4.350 3.179 0.000 0.194 406 E C 1.749 178.464 176.600 0.193 0.000 0.997 406 E CA 1.311 57.786 56.400 0.125 0.000 0.801 406 E CB -0.439 29.340 29.700 0.131 0.000 0.746 406 E HN 0.543 nan 8.360 nan 0.000 0.450 407 W N 1.656 122.995 121.300 0.065 0.000 2.402 407 W HA -0.149 6.418 4.660 3.178 0.000 0.286 407 W C 2.177 178.752 176.519 0.093 0.000 1.221 407 W CA 1.115 58.513 57.345 0.090 0.000 1.257 407 W CB -0.065 29.469 29.460 0.123 0.000 1.120 407 W HN 0.083 nan 8.180 nan 0.000 0.551 408 R N 0.574 121.141 120.500 0.110 0.000 2.073 408 R HA -0.121 6.127 4.340 3.179 0.000 0.229 408 R C 2.239 178.514 176.300 -0.042 0.000 1.120 408 R CA 1.231 57.334 56.100 0.005 0.000 0.967 408 R CB -0.664 29.621 30.300 -0.025 0.000 0.862 408 R HN 0.232 nan 8.270 nan 0.000 0.436 409 L N 0.523 121.720 121.223 -0.043 0.000 2.552 409 L HA 0.008 6.255 4.340 3.179 0.000 0.227 409 L C 1.868 178.723 176.870 -0.024 0.000 1.146 409 L CA 0.653 55.469 54.840 -0.040 0.000 0.858 409 L CB -0.058 41.978 42.059 -0.039 0.000 0.969 409 L HN 0.091 nan 8.230 nan 0.000 0.451 410 K N 0.283 120.646 120.400 -0.062 0.000 2.365 410 K HA -0.074 6.153 4.320 3.179 0.000 0.199 410 K C 1.958 178.522 176.600 -0.060 0.000 1.045 410 K CA 0.847 57.090 56.287 -0.073 0.000 0.962 410 K CB 0.100 32.508 32.500 -0.152 0.000 0.759 410 K HN 0.269 nan 8.250 nan 0.000 0.469 411 I N 1.069 121.612 120.570 -0.045 0.000 2.761 411 I HA -0.092 5.986 4.170 3.179 0.000 0.261 411 I C -0.001 176.126 176.117 0.016 0.000 1.198 411 I CA 0.217 61.518 61.300 0.002 0.000 1.482 411 I CB 0.383 38.396 38.000 0.023 0.000 1.100 411 I HN -0.013 nan 8.210 nan 0.000 0.445 412 I N 2.352 122.937 120.570 0.026 0.000 2.662 412 I HA 0.045 6.122 4.170 3.179 0.000 0.285 412 I C 1.460 177.570 176.117 -0.013 0.000 1.161 412 I CA 0.975 62.282 61.300 0.012 0.000 1.415 412 I CB -0.683 37.327 38.000 0.017 0.000 1.385 412 I HN 0.474 nan 8.210 nan 0.000 0.552 413 G N 5.271 114.046 108.800 -0.041 0.000 2.143 413 G HA2 -0.248 5.619 3.960 3.179 0.000 0.248 413 G HA3 -0.248 5.619 3.960 3.179 0.000 0.248 413 G C 0.131 175.016 174.900 -0.025 0.000 0.991 413 G CA 0.340 45.414 45.100 -0.044 0.000 0.689 413 G HN 0.673 nan 8.290 nan 0.000 0.522 414 D N -0.109 120.284 120.400 -0.012 0.000 3.285 414 D HA 0.313 6.860 4.640 3.179 0.000 0.273 414 D C -2.457 173.881 176.300 0.063 0.000 1.295 414 D CA -0.817 53.196 54.000 0.021 0.000 0.762 414 D CB 1.327 42.145 40.800 0.029 0.000 1.379 414 D HN 0.231 nan 8.370 nan 0.000 0.612 415 P HA 0.167 nan 4.420 nan 0.000 0.284 415 P C 0.218 177.689 177.300 0.285 0.000 1.253 415 P CA -0.196 63.062 63.100 0.262 0.000 0.800 415 P CB 1.462 33.300 31.700 0.230 0.000 0.961 416 C N 2.260 121.734 119.300 0.290 0.000 4.209 416 C HA -0.060 6.307 4.460 3.179 0.000 0.305 416 C C 1.105 176.099 174.990 0.007 0.000 1.339 416 C CA 1.039 60.103 59.018 0.076 0.000 2.062 416 C CB -2.258 25.524 27.740 0.070 0.000 1.307 416 C HN 0.892 nan 8.230 nan 0.000 0.706 417 G N 0.124 108.916 108.800 -0.014 0.000 3.481 417 G HA2 0.524 6.391 3.960 3.179 0.000 0.180 417 G HA3 0.524 6.391 3.960 3.179 0.000 0.180 417 G C 1.095 175.895 174.900 -0.166 0.000 1.345 417 G CA 0.819 45.870 45.100 -0.082 0.000 1.104 417 G HN 1.167 nan 8.290 nan 0.000 0.749 418 G N 0.907 109.646 108.800 -0.102 0.000 2.476 418 G HA2 -0.172 5.695 3.960 3.179 0.000 0.218 418 G HA3 -0.172 5.695 3.960 3.179 0.000 0.218 418 G C 1.534 176.425 174.900 -0.014 0.000 1.164 418 G CA 1.972 47.035 45.100 -0.061 0.000 0.768 418 G HN 0.622 nan 8.290 nan 0.000 0.560 419 E N 0.748 120.959 120.200 0.018 0.000 2.150 419 E HA -0.106 6.152 4.350 3.179 0.000 0.193 419 E C 2.441 179.031 176.600 -0.016 0.000 0.985 419 E CA 0.983 57.422 56.400 0.064 0.000 0.814 419 E CB -0.623 29.159 29.700 0.137 0.000 0.752 419 E HN 0.377 nan 8.360 nan 0.000 0.466 420 L N 1.577 122.759 121.223 -0.069 0.000 2.046 420 L HA -0.126 6.122 4.340 3.179 0.000 0.208 420 L C 2.292 179.122 176.870 -0.066 0.000 1.077 420 L CA 1.783 56.564 54.840 -0.098 0.000 0.747 420 L CB -0.341 41.642 42.059 -0.126 0.000 0.896 420 L HN -0.064 nan 8.230 nan 0.000 0.432 421 E N 0.019 120.143 120.200 -0.126 0.000 2.110 421 E HA -0.211 6.047 4.350 3.179 0.000 0.193 421 E C 1.849 178.495 176.600 0.076 0.000 0.988 421 E CA 1.353 57.687 56.400 -0.110 0.000 0.804 421 E CB -0.395 29.056 29.700 -0.416 0.000 0.745 421 E HN 0.605 nan 8.360 nan 0.000 0.458 422 D N 0.509 120.994 120.400 0.141 0.000 2.084 422 D HA -0.119 6.429 4.640 3.179 0.000 0.194 422 D C 2.221 178.634 176.300 0.187 0.000 0.990 422 D CA 0.821 54.958 54.000 0.228 0.000 0.826 422 D CB -0.466 40.523 40.800 0.315 0.000 0.971 422 D HN 0.006 nan 8.370 nan 0.000 0.453 423 V N 1.257 121.258 119.914 0.146 0.000 2.282 423 V HA -0.280 5.748 4.120 3.179 0.000 0.249 423 V C 2.556 178.763 176.094 0.188 0.000 1.057 423 V CA 2.041 64.431 62.300 0.150 0.000 1.032 423 V CB -0.683 31.178 31.823 0.063 0.000 0.645 423 V HN 0.152 nan 8.190 nan 0.000 0.447 424 S N 0.281 116.061 115.700 0.132 0.000 2.359 424 S HA -0.220 6.157 4.470 3.179 0.000 0.224 424 S C 2.219 176.875 174.600 0.093 0.000 1.035 424 S CA 1.496 59.745 58.200 0.081 0.000 1.018 424 S CB -0.652 62.556 63.200 0.015 0.000 0.876 424 S HN 0.681 nan 8.310 nan 0.000 0.448 425 A N 1.541 124.439 122.820 0.129 0.000 1.978 425 A HA 0.050 6.277 4.320 3.179 0.000 0.220 425 A C 2.333 180.043 177.584 0.210 0.000 1.170 425 A CA 1.766 53.899 52.037 0.161 0.000 0.636 425 A CB -1.016 18.094 19.000 0.182 0.000 0.810 425 A HN 0.532 nan 8.150 nan 0.000 0.448 426 A N -0.192 122.755 122.820 0.212 0.000 1.898 426 A HA 0.202 6.429 4.320 3.179 0.000 0.216 426 A C 2.517 180.303 177.584 0.337 0.000 1.181 426 A CA 1.973 54.170 52.037 0.267 0.000 0.620 426 A CB -1.025 18.102 19.000 0.212 0.000 0.819 426 A HN 1.020 nan 8.150 nan 0.000 0.442 427 A N -0.495 122.471 122.820 0.242 0.000 1.858 427 A HA -0.156 6.071 4.320 3.179 0.000 0.216 427 A C 2.331 179.958 177.584 0.072 0.000 1.190 427 A CA 2.281 54.408 52.037 0.149 0.000 0.617 427 A CB -0.876 18.097 19.000 -0.045 0.000 0.827 427 A HN 0.445 nan 8.150 nan 0.000 0.443 428 R N -1.541 118.993 120.500 0.057 0.000 2.133 428 R HA -0.251 5.996 4.340 3.179 0.000 0.245 428 R C 1.934 178.286 176.300 0.086 0.000 1.137 428 R CA 2.338 58.466 56.100 0.047 0.000 0.947 428 R CB -1.693 28.652 30.300 0.075 0.000 0.865 428 R HN 0.913 nan 8.270 nan 0.000 0.437 429 W N 0.378 121.692 121.300 0.023 0.000 2.363 429 W HA -0.023 6.543 4.660 3.177 0.000 0.296 429 W C 2.347 178.882 176.519 0.026 0.000 1.212 429 W CA 1.610 58.972 57.345 0.028 0.000 1.260 429 W CB -0.587 28.897 29.460 0.039 0.000 1.131 429 W HN 0.423 nan 8.180 nan 0.000 0.530 430 A N 0.587 123.362 122.820 -0.076 0.000 1.898 430 A HA -0.145 6.083 4.320 3.179 0.000 0.216 430 A C 2.128 179.512 177.584 -0.334 0.000 1.181 430 A CA 1.747 53.598 52.037 -0.310 0.000 0.620 430 A CB -0.857 18.193 19.000 0.082 0.000 0.819 430 A HN 0.404 nan 8.150 nan 0.000 0.442 431 R N -0.512 119.875 120.500 -0.189 0.000 2.062 431 R HA -0.095 6.152 4.340 3.179 0.000 0.229 431 R C 2.152 178.330 176.300 -0.203 0.000 1.128 431 R CA 1.458 57.461 56.100 -0.161 0.000 0.960 431 R CB -0.292 29.944 30.300 -0.107 0.000 0.855 431 R HN 0.665 nan 8.270 nan 0.000 0.432 432 E N 0.053 120.128 120.200 -0.208 0.000 2.070 432 E HA -0.211 6.047 4.350 3.179 0.000 0.197 432 E C 1.751 178.199 176.600 -0.254 0.000 1.004 432 E CA 1.991 58.280 56.400 -0.184 0.000 0.805 432 E CB -0.025 29.605 29.700 -0.116 0.000 0.744 432 E HN 0.422 nan 8.360 nan 0.000 0.451 433 S N -1.485 113.925 115.700 -0.483 0.000 2.522 433 S HA 0.066 6.444 4.470 3.179 0.000 0.227 433 S C 1.494 175.909 174.600 -0.309 0.000 0.986 433 S CA 0.739 58.666 58.200 -0.455 0.000 0.929 433 S CB 0.629 63.321 63.200 -0.846 0.000 0.769 433 S HN 0.445 nan 8.310 nan 0.000 0.529 434 G N 0.394 109.025 108.800 -0.281 0.000 2.179 434 G HA2 -0.228 5.640 3.960 3.179 0.000 0.220 434 G HA3 -0.228 5.640 3.960 3.179 0.000 0.220 434 G C 0.430 175.229 174.900 -0.169 0.000 0.990 434 G CA 0.253 45.248 45.100 -0.174 0.000 0.646 434 G HN 0.552 nan 8.290 nan 0.000 0.517 435 L N 1.124 122.191 121.223 -0.261 0.000 2.072 435 L HA 0.715 6.962 4.340 3.179 0.000 0.205 435 L C 1.691 178.541 176.870 -0.033 0.000 1.079 435 L CA 2.527 57.238 54.840 -0.215 0.000 0.752 435 L CB -0.351 41.522 42.059 -0.311 0.000 0.906 435 L HN 0.915 nan 8.230 nan 0.000 0.436 436 A N -1.496 121.297 122.820 -0.046 0.000 2.288 436 A HA 0.510 6.738 4.320 3.179 0.000 0.320 436 A C 1.018 178.603 177.584 0.002 0.000 1.217 436 A CA 0.148 52.211 52.037 0.043 0.000 0.840 436 A CB 0.671 19.693 19.000 0.038 0.000 1.179 436 A HN 0.417 nan 8.150 nan 0.000 0.504 437 S N 1.458 117.174 115.700 0.027 0.000 2.458 437 S HA 0.113 6.491 4.470 3.179 0.000 0.223 437 S C 0.418 175.000 174.600 -0.030 0.000 1.019 437 S CA 0.714 58.910 58.200 -0.006 0.000 0.937 437 S CB -0.289 62.912 63.200 0.002 0.000 0.788 437 S HN 0.904 nan 8.310 nan 0.000 0.511 438 E N -0.200 119.983 120.200 -0.029 0.000 2.375 438 E HA 0.616 6.873 4.350 3.179 0.000 0.280 438 E C -1.832 174.660 176.600 -0.180 0.000 0.972 438 E CA -1.036 55.291 56.400 -0.122 0.000 0.782 438 E CB 1.034 30.649 29.700 -0.142 0.000 1.229 438 E HN 0.182 nan 8.360 nan 0.000 0.439 439 L N 2.443 123.498 121.223 -0.280 0.000 2.341 439 L HA 0.557 6.804 4.340 3.179 0.000 0.278 439 L C -1.323 175.476 176.870 -0.118 0.000 1.005 439 L CA -0.722 54.074 54.840 -0.074 0.000 0.818 439 L CB 1.139 43.196 42.059 -0.004 0.000 1.259 439 L HN 0.584 nan 8.230 nan 0.000 0.418 440 Y N 3.148 123.673 120.300 0.376 0.000 2.536 440 Y HA 0.624 7.085 4.550 3.185 0.000 0.347 440 Y C -0.335 175.513 175.900 -0.087 0.000 1.000 440 Y CA -0.767 57.452 58.100 0.199 0.000 1.051 440 Y CB 2.480 40.991 38.460 0.086 0.000 1.259 440 Y HN 0.374 nan 8.280 nan 0.000 0.468 441 I N 3.952 124.308 120.570 -0.358 0.000 2.474 441 I HA 0.629 6.707 4.170 3.179 0.000 0.294 441 I C -1.284 174.648 176.117 -0.308 0.000 1.005 441 I CA -0.817 60.079 61.300 -0.674 0.000 1.113 441 I CB 1.400 38.494 38.000 -1.510 0.000 1.289 441 I HN 0.836 nan 8.210 nan 0.000 0.436 442 M N 6.754 126.218 119.600 -0.226 0.000 2.470 442 M HA 0.785 7.173 4.480 3.179 0.000 0.285 442 M C -1.425 174.762 176.300 -0.187 0.000 1.213 442 M CA -0.272 54.915 55.300 -0.189 0.000 0.901 442 M CB 2.385 34.919 32.600 -0.110 0.000 1.718 442 M HN 0.727 nan 8.290 nan 0.000 0.469 443 G N 2.178 110.801 108.800 -0.294 0.000 2.429 443 G HA2 0.461 6.329 3.960 3.179 0.000 0.300 443 G HA3 0.461 6.329 3.960 3.179 0.000 0.300 443 G C -2.665 171.978 174.900 -0.429 0.000 1.598 443 G CA -0.594 44.365 45.100 -0.235 0.000 0.863 443 G HN 0.671 nan 8.290 nan 0.000 0.614 444 Y N 1.093 121.316 120.300 -0.128 0.000 2.509 444 Y HA 0.665 7.115 4.550 3.167 0.000 0.341 444 Y C 1.349 177.236 175.900 -0.023 0.000 1.038 444 Y CA 0.657 58.696 58.100 -0.102 0.000 1.089 444 Y CB 2.244 40.596 38.460 -0.180 0.000 1.241 444 Y HN 1.548 nan 8.280 nan 0.000 0.468 445 S N 1.336 117.120 115.700 0.140 0.000 4.139 445 S HA -0.460 5.917 4.470 3.179 0.000 0.603 445 S C 1.139 175.829 174.600 0.149 0.000 1.897 445 S CA 1.899 60.181 58.200 0.137 0.000 4.241 445 S CB -1.568 61.733 63.200 0.168 0.000 0.221 445 S HN 0.860 nan 8.310 nan 0.000 0.488 446 Y N 2.805 123.171 120.300 0.110 0.000 2.293 446 Y HA 0.167 6.625 4.550 3.180 0.000 0.291 446 Y C 2.582 178.538 175.900 0.094 0.000 1.137 446 Y CA 2.375 60.554 58.100 0.132 0.000 1.202 446 Y CB -1.041 37.507 38.460 0.146 0.000 0.990 446 Y HN 0.637 nan 8.280 nan 0.000 0.537 447 G N -0.681 108.213 108.800 0.157 0.000 2.418 447 G HA2 -0.266 5.601 3.960 3.179 0.000 0.217 447 G HA3 -0.266 5.601 3.960 3.179 0.000 0.217 447 G C 1.944 176.767 174.900 -0.129 0.000 1.158 447 G CA 0.795 45.895 45.100 0.000 0.000 0.771 447 G HN 0.557 nan 8.290 nan 0.000 0.545 448 G N -0.029 108.701 108.800 -0.117 0.000 2.446 448 G HA2 -0.299 5.568 3.960 3.179 0.000 0.217 448 G HA3 -0.299 5.568 3.960 3.179 0.000 0.217 448 G C 1.646 176.443 174.900 -0.172 0.000 1.168 448 G CA 1.192 46.186 45.100 -0.177 0.000 0.771 448 G HN 0.452 nan 8.290 nan 0.000 0.551 449 Y N 0.867 120.983 120.300 -0.307 0.000 2.151 449 Y HA -0.178 6.278 4.550 3.177 0.000 0.284 449 Y C 2.788 178.460 175.900 -0.380 0.000 1.166 449 Y CA 1.922 59.784 58.100 -0.396 0.000 1.163 449 Y CB -0.106 38.007 38.460 -0.578 0.000 0.974 449 Y HN 0.086 nan 8.280 nan 0.000 0.511 450 M N -0.500 118.831 119.600 -0.449 0.000 2.159 450 M HA -0.210 6.177 4.480 3.179 0.000 0.263 450 M C 2.050 178.128 176.300 -0.371 0.000 1.063 450 M CA 2.030 57.056 55.300 -0.456 0.000 1.110 450 M CB -1.429 30.959 32.600 -0.354 0.000 1.374 450 M HN 0.281 nan 8.290 nan 0.000 0.411 451 T N 1.508 115.871 114.554 -0.318 0.000 2.708 451 T HA -0.097 6.160 4.350 3.179 0.000 0.266 451 T C 2.011 176.558 174.700 -0.255 0.000 1.037 451 T CA 1.115 63.041 62.100 -0.289 0.000 1.146 451 T CB -0.308 68.396 68.868 -0.274 0.000 0.865 451 T HN 0.319 nan 8.240 nan 0.000 0.435 452 L N 0.308 121.364 121.223 -0.279 0.000 2.131 452 L HA -0.122 6.126 4.340 3.179 0.000 0.210 452 L C 2.848 179.553 176.870 -0.274 0.000 1.092 452 L CA 0.854 55.544 54.840 -0.250 0.000 0.759 452 L CB -0.658 41.252 42.059 -0.248 0.000 0.903 452 L HN 0.409 nan 8.230 nan 0.000 0.435 453 C N -0.464 118.590 119.300 -0.411 0.000 2.446 453 C HA -0.066 6.301 4.460 3.179 0.000 0.277 453 C C 3.123 177.982 174.990 -0.219 0.000 1.275 453 C CA 0.685 59.472 59.018 -0.386 0.000 1.727 453 C CB -0.823 26.562 27.740 -0.591 0.000 2.010 453 C HN 0.611 nan 8.230 nan 0.000 0.486 454 A N 0.250 122.971 122.820 -0.165 0.000 1.898 454 A HA -0.046 6.182 4.320 3.179 0.000 0.216 454 A C 2.092 179.696 177.584 0.032 0.000 1.181 454 A CA 1.279 53.309 52.037 -0.012 0.000 0.620 454 A CB -0.551 18.510 19.000 0.102 0.000 0.819 454 A HN 0.585 nan 8.150 nan 0.000 0.442 455 L N 0.053 121.272 121.223 -0.006 0.000 2.217 455 L HA -0.112 6.135 4.340 3.179 0.000 0.211 455 L C 2.817 179.681 176.870 -0.011 0.000 1.107 455 L CA 1.852 56.706 54.840 0.022 0.000 0.783 455 L CB -1.052 41.012 42.059 0.008 0.000 0.919 455 L HN 0.685 nan 8.230 nan 0.000 0.442 456 T N -3.595 110.927 114.554 -0.053 0.000 2.901 456 T HA -0.034 6.224 4.350 3.179 0.000 0.252 456 T C 1.833 176.480 174.700 -0.088 0.000 1.035 456 T CA 0.409 62.477 62.100 -0.053 0.000 1.142 456 T CB 0.001 68.841 68.868 -0.047 0.000 0.869 456 T HN -0.015 nan 8.240 nan 0.000 0.442 457 M N 0.939 120.465 119.600 -0.123 0.000 2.435 457 M HA 0.288 6.675 4.480 3.179 0.000 0.265 457 M C 0.715 176.957 176.300 -0.097 0.000 1.104 457 M CA 0.915 56.126 55.300 -0.149 0.000 1.140 457 M CB -0.453 32.041 32.600 -0.177 0.000 1.372 457 M HN 0.188 nan 8.290 nan 0.000 0.456 458 K N 1.181 121.545 120.400 -0.060 0.000 3.163 458 K HA 0.336 6.564 4.320 3.179 0.000 0.186 458 K C -2.578 174.008 176.600 -0.022 0.000 1.111 458 K CA -1.205 55.054 56.287 -0.046 0.000 0.918 458 K CB 1.178 33.651 32.500 -0.044 0.000 1.059 458 K HN 0.102 nan 8.250 nan 0.000 0.558 459 P HA 0.026 nan 4.420 nan 0.000 0.272 459 P C 0.802 178.090 177.300 -0.019 0.000 1.223 459 P CA 0.741 63.841 63.100 -0.000 0.000 0.784 459 P CB 0.927 32.627 31.700 -0.001 0.000 0.923 460 G N 0.486 109.279 108.800 -0.011 0.000 2.179 460 G HA2 -0.303 5.565 3.960 3.179 0.000 0.260 460 G HA3 -0.303 5.565 3.960 3.179 0.000 0.260 460 G C 0.510 175.356 174.900 -0.090 0.000 0.977 460 G CA 0.374 45.451 45.100 -0.038 0.000 0.641 460 G HN 0.560 nan 8.290 nan 0.000 0.533 461 L N -0.238 120.907 121.223 -0.131 0.000 2.062 461 L HA 0.578 6.826 4.340 3.179 0.000 0.202 461 L C 1.062 177.671 176.870 -0.435 0.000 1.079 461 L CA 1.190 55.832 54.840 -0.330 0.000 0.755 461 L CB -0.404 41.385 42.059 -0.451 0.000 0.913 461 L HN 0.172 nan 8.230 nan 0.000 0.445 462 F N -0.106 119.823 119.950 -0.035 0.000 2.422 462 F HA 0.288 6.725 4.527 3.183 0.000 0.333 462 F C 1.524 177.297 175.800 -0.045 0.000 1.095 462 F CA -0.410 57.562 58.000 -0.048 0.000 1.038 462 F CB 1.053 40.054 39.000 0.003 0.000 1.156 462 F HN -0.094 nan 8.300 nan 0.000 0.483 463 K N 1.759 122.193 120.400 0.057 0.000 2.148 463 K HA 0.203 6.430 4.320 3.179 0.000 0.204 463 K C 0.088 176.813 176.600 0.209 0.000 1.050 463 K CA 1.146 57.451 56.287 0.030 0.000 0.942 463 K CB 0.164 32.548 32.500 -0.194 0.000 0.724 463 K HN 0.775 nan 8.250 nan 0.000 0.446 464 A N -1.053 121.984 122.820 0.361 0.000 2.586 464 A HA 0.623 6.850 4.320 3.179 0.000 0.290 464 A C -1.128 176.680 177.584 0.374 0.000 1.086 464 A CA -0.429 51.849 52.037 0.402 0.000 0.665 464 A CB 1.380 20.612 19.000 0.387 0.000 1.279 464 A HN 0.186 nan 8.150 nan 0.000 0.423 465 G N -0.734 108.262 108.800 0.326 0.000 2.731 465 G HA2 0.622 6.489 3.960 3.179 0.000 0.298 465 G HA3 0.622 6.489 3.960 3.179 0.000 0.298 465 G C -1.695 173.193 174.900 -0.020 0.000 1.424 465 G CA -0.412 44.741 45.100 0.088 0.000 1.029 465 G HN 1.215 nan 8.290 nan 0.000 0.518 466 V N 1.195 121.031 119.914 -0.130 0.000 2.357 466 V HA 0.697 6.724 4.120 3.179 0.000 0.284 466 V C 0.360 176.270 176.094 -0.307 0.000 1.018 466 V CA -0.688 61.455 62.300 -0.262 0.000 0.841 466 V CB 1.302 32.988 31.823 -0.229 0.000 0.991 466 V HN 1.120 nan 8.190 nan 0.000 0.437 467 A N 4.028 126.674 122.820 -0.290 0.000 2.273 467 A HA 0.799 7.027 4.320 3.179 0.000 0.320 467 A C 0.381 177.800 177.584 -0.276 0.000 1.358 467 A CA -0.156 51.713 52.037 -0.280 0.000 0.910 467 A CB 0.699 19.577 19.000 -0.204 0.000 1.159 467 A HN 0.973 nan 8.150 nan 0.000 0.526 468 G N 0.983 109.511 108.800 -0.454 0.000 2.356 468 G HA2 0.629 6.496 3.960 3.179 0.000 0.322 468 G HA3 0.629 6.496 3.960 3.179 0.000 0.322 468 G C 0.707 175.575 174.900 -0.055 0.000 1.125 468 G CA 0.090 44.994 45.100 -0.326 0.000 0.885 468 G HN 2.258 nan 8.290 nan 0.000 0.467 469 A N 0.936 123.768 122.820 0.019 0.000 2.596 469 A HA -0.053 6.174 4.320 3.179 0.000 0.300 469 A C 1.247 178.834 177.584 0.006 0.000 1.495 469 A CA 1.049 53.017 52.037 -0.115 0.000 0.769 469 A CB -2.116 16.868 19.000 -0.027 0.000 1.047 469 A HN 2.206 nan 8.150 nan 0.000 0.436 470 S N -1.463 114.301 115.700 0.107 0.000 2.645 470 S HA 0.707 7.084 4.470 3.179 0.000 0.266 470 S C 0.075 174.688 174.600 0.023 0.000 1.258 470 S CA -0.251 57.968 58.200 0.031 0.000 0.990 470 S CB 1.880 65.059 63.200 -0.036 0.000 0.967 470 S HN 1.222 nan 8.310 nan 0.000 0.556 471 V N 2.112 121.967 119.914 -0.099 0.000 2.370 471 V HA 0.285 6.312 4.120 3.179 0.000 0.283 471 V C 0.672 176.608 176.094 -0.262 0.000 1.023 471 V CA -0.632 61.504 62.300 -0.273 0.000 0.857 471 V CB 1.159 32.591 31.823 -0.652 0.000 0.985 471 V HN 0.884 nan 8.190 nan 0.000 0.443 472 V N 1.858 121.622 119.914 -0.249 0.000 2.795 472 V HA 0.206 6.233 4.120 3.179 0.000 0.243 472 V C 0.367 176.333 176.094 -0.214 0.000 1.069 472 V CA 0.928 63.108 62.300 -0.200 0.000 1.089 472 V CB 0.149 31.861 31.823 -0.184 0.000 0.756 472 V HN 0.927 nan 8.190 nan 0.000 0.471 473 D N -2.018 118.229 120.400 -0.254 0.000 2.763 473 D HA 0.167 6.714 4.640 3.179 0.000 0.235 473 D C -0.043 176.180 176.300 -0.128 0.000 1.334 473 D CA -0.633 53.271 54.000 -0.160 0.000 0.950 473 D CB 1.138 41.896 40.800 -0.070 0.000 1.433 473 D HN 0.100 nan 8.370 nan 0.000 0.580 474 W N 2.304 123.640 121.300 0.060 0.000 2.381 474 W HA -0.015 6.556 4.660 3.185 0.000 0.301 474 W C 2.102 178.683 176.519 0.104 0.000 1.205 474 W CA 0.239 57.627 57.345 0.072 0.000 1.285 474 W CB 0.250 29.735 29.460 0.042 0.000 1.133 474 W HN 0.495 nan 8.180 nan 0.000 0.521 475 E N 0.463 120.832 120.200 0.281 0.000 2.031 475 E HA -0.285 5.972 4.350 3.179 0.000 0.193 475 E C 1.949 178.662 176.600 0.189 0.000 0.994 475 E CA 1.684 58.196 56.400 0.187 0.000 0.800 475 E CB -0.296 29.466 29.700 0.103 0.000 0.752 475 E HN 0.384 nan 8.360 nan 0.000 0.447 476 E N 0.527 120.800 120.200 0.122 0.000 2.058 476 E HA -0.227 6.030 4.350 3.179 0.000 0.194 476 E C 2.145 178.816 176.600 0.118 0.000 0.997 476 E CA 1.213 57.666 56.400 0.088 0.000 0.801 476 E CB -0.071 29.645 29.700 0.026 0.000 0.746 476 E HN 0.159 nan 8.360 nan 0.000 0.450 477 M N -0.388 119.293 119.600 0.135 0.000 2.175 477 M HA -0.170 6.217 4.480 3.179 0.000 0.264 477 M C 2.074 178.512 176.300 0.231 0.000 1.063 477 M CA 1.435 56.819 55.300 0.140 0.000 1.119 477 M CB -0.202 32.481 32.600 0.138 0.000 1.377 477 M HN 0.277 nan 8.290 nan 0.000 0.415 478 Y N 1.389 121.812 120.300 0.205 0.000 2.151 478 Y HA -0.334 6.123 4.550 3.178 0.000 0.284 478 Y C 2.318 178.294 175.900 0.127 0.000 1.166 478 Y CA 3.098 61.313 58.100 0.192 0.000 1.163 478 Y CB -0.678 37.880 38.460 0.163 0.000 0.974 478 Y HN 0.439 nan 8.280 nan 0.000 0.511 479 E N 0.904 121.257 120.200 0.255 0.000 2.046 479 E HA -0.039 6.218 4.350 3.179 0.000 0.190 479 E C 1.126 177.744 176.600 0.030 0.000 0.982 479 E CA 1.367 57.855 56.400 0.146 0.000 0.800 479 E CB -1.148 28.650 29.700 0.163 0.000 0.756 479 E HN 0.515 nan 8.360 nan 0.000 0.449 480 L N -0.209 121.032 121.223 0.030 0.000 2.598 480 L HA 0.691 6.939 4.340 3.179 0.000 0.241 480 L C -0.335 176.516 176.870 -0.032 0.000 1.244 480 L CA -0.983 53.854 54.840 -0.005 0.000 1.198 480 L CB -0.014 42.043 42.059 -0.004 0.000 1.448 480 L HN -0.049 nan 8.230 nan 0.000 0.406 481 S N -0.885 114.788 115.700 -0.045 0.000 2.565 481 S HA 0.671 7.049 4.470 3.179 0.000 0.269 481 S C -0.429 174.155 174.600 -0.027 0.000 1.153 481 S CA -0.331 57.842 58.200 -0.044 0.000 0.835 481 S CB 1.319 64.520 63.200 0.002 0.000 1.122 481 S HN 0.694 nan 8.310 nan 0.000 0.462 482 D N 0.496 120.902 120.400 0.009 0.000 2.372 482 D HA 0.602 7.149 4.640 3.179 0.000 0.243 482 D C 1.392 177.719 176.300 0.045 0.000 1.121 482 D CA 0.045 54.060 54.000 0.026 0.000 0.898 482 D CB 0.433 41.258 40.800 0.041 0.000 1.202 482 D HN 0.717 nan 8.370 nan 0.000 0.428 483 A N 0.957 123.787 122.820 0.017 0.000 1.940 483 A HA 0.039 6.267 4.320 3.179 0.000 0.221 483 A C 2.703 180.311 177.584 0.041 0.000 1.190 483 A CA 3.437 55.479 52.037 0.009 0.000 0.647 483 A CB -1.095 17.913 19.000 0.013 0.000 0.821 483 A HN 1.663 nan 8.150 nan 0.000 0.457 484 A N -1.633 121.231 122.820 0.073 0.000 1.896 484 A HA -0.197 6.030 4.320 3.179 0.000 0.220 484 A C 2.117 179.765 177.584 0.107 0.000 1.206 484 A CA 2.027 54.120 52.037 0.094 0.000 0.647 484 A CB -0.791 18.283 19.000 0.123 0.000 0.828 484 A HN 0.695 nan 8.150 nan 0.000 0.455 485 F N -0.213 119.742 119.950 0.008 0.000 2.234 485 F HA 0.007 6.443 4.527 3.181 0.000 0.296 485 F C 2.483 178.285 175.800 0.004 0.000 1.089 485 F CA 1.121 59.134 58.000 0.022 0.000 1.343 485 F CB -0.127 38.889 39.000 0.026 0.000 1.040 485 F HN 0.090 nan 8.300 nan 0.000 0.498 486 R N 0.231 120.783 120.500 0.088 0.000 2.113 486 R HA -0.280 5.967 4.340 3.179 0.000 0.244 486 R C 2.180 178.487 176.300 0.011 0.000 1.142 486 R CA 1.828 57.864 56.100 -0.106 0.000 0.953 486 R CB -1.683 28.431 30.300 -0.311 0.000 0.860 486 R HN 0.531 nan 8.270 nan 0.000 0.438 487 N N 0.197 118.897 118.700 0.000 0.000 2.043 487 N HA -0.221 6.426 4.740 3.179 0.000 0.193 487 N C 2.289 177.777 175.510 -0.037 0.000 1.037 487 N CA 2.117 55.173 53.050 0.010 0.000 0.851 487 N CB -1.500 36.994 38.487 0.011 0.000 1.027 487 N HN 0.301 nan 8.380 nan 0.000 0.422 488 F N 0.723 120.596 119.950 -0.129 0.000 2.091 488 F HA 0.020 6.454 4.527 3.179 0.000 0.299 488 F C 2.645 178.309 175.800 -0.228 0.000 1.103 488 F CA 1.870 59.743 58.000 -0.211 0.000 1.228 488 F CB -1.056 37.689 39.000 -0.425 0.000 0.984 488 F HN 0.446 nan 8.300 nan 0.000 0.477 489 I N -0.606 119.831 120.570 -0.222 0.000 2.163 489 I HA -0.290 5.788 4.170 3.179 0.000 0.243 489 I C 2.512 178.560 176.117 -0.115 0.000 1.085 489 I CA 2.184 63.395 61.300 -0.149 0.000 1.347 489 I CB -0.888 37.211 38.000 0.165 0.000 1.044 489 I HN 0.512 nan 8.210 nan 0.000 0.408 490 E N 0.262 120.478 120.200 0.027 0.000 2.058 490 E HA -0.274 5.983 4.350 3.179 0.000 0.194 490 E C 2.361 178.928 176.600 -0.055 0.000 0.997 490 E CA 1.845 58.255 56.400 0.017 0.000 0.801 490 E CB 0.082 29.843 29.700 0.101 0.000 0.746 490 E HN 0.323 nan 8.360 nan 0.000 0.450 491 Q N -0.821 118.946 119.800 -0.055 0.000 2.079 491 Q HA -0.098 6.150 4.340 3.179 0.000 0.200 491 Q C 2.337 178.285 176.000 -0.086 0.000 0.974 491 Q CA 1.098 56.871 55.803 -0.050 0.000 0.840 491 Q CB -0.925 27.802 28.738 -0.018 0.000 0.898 491 Q HN 0.408 nan 8.270 nan 0.000 0.430 492 L N 1.098 122.227 121.223 -0.156 0.000 2.046 492 L HA -0.124 6.123 4.340 3.179 0.000 0.208 492 L C 2.496 179.209 176.870 -0.262 0.000 1.077 492 L CA 2.415 57.119 54.840 -0.228 0.000 0.747 492 L CB -1.210 40.607 42.059 -0.403 0.000 0.896 492 L HN 0.889 nan 8.230 nan 0.000 0.432 493 T N -4.426 109.941 114.554 -0.311 0.000 3.122 493 T HA 0.325 6.582 4.350 3.179 0.000 0.250 493 T C 1.391 175.999 174.700 -0.153 0.000 1.067 493 T CA 0.538 62.471 62.100 -0.278 0.000 0.966 493 T CB 0.003 68.653 68.868 -0.364 0.000 1.002 493 T HN 1.270 nan 8.240 nan 0.000 0.542 494 G N 1.260 109.991 108.800 -0.115 0.000 2.221 494 G HA2 0.069 5.936 3.960 3.179 0.000 0.265 494 G HA3 0.069 5.936 3.960 3.179 0.000 0.265 494 G C 0.978 175.839 174.900 -0.065 0.000 1.041 494 G CA 0.090 45.147 45.100 -0.071 0.000 0.807 494 G HN 1.715 nan 8.290 nan 0.000 0.502 495 G N -1.520 107.234 108.800 -0.077 0.000 2.341 495 G HA2 0.052 5.919 3.960 3.179 0.000 0.292 495 G HA3 0.052 5.919 3.960 3.179 0.000 0.292 495 G C 0.376 175.227 174.900 -0.081 0.000 1.021 495 G CA 1.354 46.409 45.100 -0.075 0.000 0.905 495 G HN 2.170 nan 8.290 nan 0.000 0.508 496 S N -1.243 114.402 115.700 -0.091 0.000 2.519 496 S HA 0.601 6.978 4.470 3.179 0.000 0.309 496 S C 1.455 176.007 174.600 -0.080 0.000 1.100 496 S CA -0.658 57.499 58.200 -0.072 0.000 1.059 496 S CB 1.052 64.221 63.200 -0.050 0.000 1.008 496 S HN 0.337 nan 8.310 nan 0.000 0.478 497 R N 2.379 122.836 120.500 -0.071 0.000 2.148 497 R HA -0.011 6.237 4.340 3.179 0.000 0.223 497 R C 2.393 178.681 176.300 -0.019 0.000 1.088 497 R CA 1.349 57.413 56.100 -0.060 0.000 0.985 497 R CB -0.452 29.812 30.300 -0.060 0.000 0.880 497 R HN 0.871 nan 8.270 nan 0.000 0.451 498 E N 1.501 121.693 120.200 -0.013 0.000 2.051 498 E HA -0.146 6.111 4.350 3.179 0.000 0.192 498 E C 1.824 178.439 176.600 0.025 0.000 0.991 498 E CA 1.303 57.708 56.400 0.008 0.000 0.799 498 E CB -0.388 29.316 29.700 0.005 0.000 0.748 498 E HN 0.072 nan 8.360 nan 0.000 0.449 499 I N 0.280 120.853 120.570 0.006 0.000 2.202 499 I HA -0.197 5.881 4.170 3.179 0.000 0.242 499 I C 2.818 178.962 176.117 0.046 0.000 1.091 499 I CA 1.533 62.841 61.300 0.013 0.000 1.368 499 I CB -1.027 36.951 38.000 -0.037 0.000 1.058 499 I HN 0.346 nan 8.210 nan 0.000 0.410 500 M N -0.407 119.204 119.600 0.018 0.000 2.108 500 M HA -0.225 6.163 4.480 3.179 0.000 0.261 500 M C 2.490 178.913 176.300 0.205 0.000 1.066 500 M CA 1.782 57.146 55.300 0.107 0.000 1.107 500 M CB -0.396 32.231 32.600 0.046 0.000 1.356 500 M HN 0.144 nan 8.290 nan 0.000 0.406 501 R N -0.198 120.371 120.500 0.115 0.000 2.057 501 R HA -0.080 6.168 4.340 3.179 0.000 0.229 501 R C 2.517 178.890 176.300 0.122 0.000 1.136 501 R CA 1.927 58.084 56.100 0.096 0.000 0.952 501 R CB -0.421 29.904 30.300 0.042 0.000 0.848 501 R HN 0.461 nan 8.270 nan 0.000 0.430 502 S N 0.405 116.186 115.700 0.136 0.000 2.428 502 S HA -0.007 6.370 4.470 3.179 0.000 0.230 502 S C 1.591 176.353 174.600 0.271 0.000 1.014 502 S CA 0.518 58.834 58.200 0.194 0.000 0.957 502 S CB 0.056 63.341 63.200 0.143 0.000 0.784 502 S HN 0.131 nan 8.310 nan 0.000 0.499 503 R N 1.649 122.309 120.500 0.267 0.000 2.334 503 R HA 0.367 6.614 4.340 3.179 0.000 0.220 503 R C -0.208 176.367 176.300 0.458 0.000 0.917 503 R CA 0.002 56.306 56.100 0.341 0.000 1.073 503 R CB -0.605 29.918 30.300 0.371 0.000 1.056 503 R HN 0.306 nan 8.270 nan 0.000 0.506 504 S N 2.649 118.556 115.700 0.344 0.000 2.399 504 S HA 0.220 6.598 4.470 3.179 0.000 0.301 504 S C -1.734 172.937 174.600 0.118 0.000 1.093 504 S CA -1.176 57.141 58.200 0.195 0.000 1.077 504 S CB 1.678 64.947 63.200 0.115 0.000 0.980 504 S HN -0.027 nan 8.310 nan 0.000 0.494 505 P HA -0.043 nan 4.420 nan 0.000 0.223 505 P C 1.220 178.511 177.300 -0.015 0.000 1.144 505 P CA 0.408 63.524 63.100 0.027 0.000 0.783 505 P CB 0.086 31.718 31.700 -0.115 0.000 0.771 506 I N -0.493 120.039 120.570 -0.064 0.000 2.454 506 I HA -0.173 5.905 4.170 3.179 0.000 0.254 506 I C 1.036 177.082 176.117 -0.119 0.000 1.156 506 I CA 1.263 62.504 61.300 -0.098 0.000 1.433 506 I CB -0.115 37.822 38.000 -0.106 0.000 1.082 506 I HN -0.109 nan 8.210 nan 0.000 0.432 507 N N 0.238 118.837 118.700 -0.169 0.000 2.434 507 N HA -0.014 6.633 4.740 3.179 0.000 0.196 507 N C 0.119 175.273 175.510 -0.594 0.000 1.183 507 N CA 0.609 53.453 53.050 -0.343 0.000 0.849 507 N CB -0.077 38.181 38.487 -0.383 0.000 0.992 507 N HN 0.531 nan 8.380 nan 0.000 0.460 508 H N -1.220 117.823 119.070 -0.045 0.000 2.904 508 H HA 0.186 6.649 4.556 3.178 0.000 0.242 508 H C 1.332 176.629 175.328 -0.052 0.000 1.193 508 H CA -0.135 55.887 56.048 -0.043 0.000 0.946 508 H CB 0.252 29.988 29.762 -0.044 0.000 2.135 508 H HN -0.102 nan 8.280 nan 0.000 0.652 509 V N 1.369 121.286 119.914 0.004 0.000 2.490 509 V HA -0.269 5.759 4.120 3.179 0.000 0.250 509 V C 2.196 178.286 176.094 -0.007 0.000 1.061 509 V CA 2.255 64.540 62.300 -0.024 0.000 1.064 509 V CB -0.200 31.582 31.823 -0.068 0.000 0.670 509 V HN 0.540 nan 8.190 nan 0.000 0.461 510 D N 1.057 121.458 120.400 0.002 0.000 2.157 510 D HA -0.308 6.239 4.640 3.179 0.000 0.191 510 D C 2.033 178.345 176.300 0.019 0.000 1.004 510 D CA 1.700 55.706 54.000 0.010 0.000 0.854 510 D CB -0.494 40.313 40.800 0.013 0.000 0.936 510 D HN 0.432 nan 8.370 nan 0.000 0.446 511 R N 0.231 120.749 120.500 0.031 0.000 2.280 511 R HA 0.161 6.409 4.340 3.179 0.000 0.207 511 R C 0.960 177.268 176.300 0.013 0.000 1.043 511 R CA -0.098 56.014 56.100 0.020 0.000 1.006 511 R CB -0.129 30.180 30.300 0.015 0.000 0.885 511 R HN 0.274 nan 8.270 nan 0.000 0.467 512 I N 1.837 122.415 120.570 0.013 0.000 2.752 512 I HA -0.134 5.944 4.170 3.179 0.000 0.289 512 I C 1.144 177.278 176.117 0.029 0.000 1.197 512 I CA 0.694 62.004 61.300 0.017 0.000 1.432 512 I CB 0.587 38.593 38.000 0.009 0.000 1.359 512 I HN -0.010 nan 8.210 nan 0.000 0.571 513 K N 4.215 124.638 120.400 0.039 0.000 2.502 513 K HA 0.253 6.480 4.320 3.179 0.000 0.211 513 K C -0.105 176.533 176.600 0.063 0.000 1.259 513 K CA 0.248 56.561 56.287 0.043 0.000 0.983 513 K CB 0.600 33.118 32.500 0.030 0.000 1.054 513 K HN 0.536 nan 8.250 nan 0.000 0.572 514 E N 0.703 120.952 120.200 0.082 0.000 2.263 514 E HA 0.352 6.609 4.350 3.179 0.000 0.264 514 E C -2.697 173.994 176.600 0.152 0.000 0.923 514 E CA -2.269 54.199 56.400 0.114 0.000 0.802 514 E CB 1.060 30.838 29.700 0.131 0.000 1.228 514 E HN -0.215 nan 8.360 nan 0.000 0.417 515 P HA 0.004 nan 4.420 nan 0.000 0.265 515 P C -1.224 176.290 177.300 0.357 0.000 1.193 515 P CA -0.119 63.151 63.100 0.284 0.000 0.765 515 P CB 0.336 32.220 31.700 0.306 0.000 0.823 516 L N 3.338 124.717 121.223 0.260 0.000 2.356 516 L HA 0.702 6.950 4.340 3.179 0.000 0.277 516 L C -0.757 176.028 176.870 -0.142 0.000 0.996 516 L CA -0.863 54.024 54.840 0.079 0.000 0.822 516 L CB 1.298 43.382 42.059 0.041 0.000 1.256 516 L HN 0.380 nan 8.230 nan 0.000 0.413 517 A N 6.294 128.773 122.820 -0.568 0.000 2.276 517 A HA 0.728 6.955 4.320 3.179 0.000 0.316 517 A C -1.017 176.375 177.584 -0.319 0.000 1.229 517 A CA -0.490 51.115 52.037 -0.721 0.000 0.851 517 A CB 0.321 18.436 19.000 -1.476 0.000 1.165 517 A HN 0.725 nan 8.150 nan 0.000 0.513 518 L N 3.362 124.495 121.223 -0.150 0.000 2.307 518 L HA 0.564 6.811 4.340 3.179 0.000 0.284 518 L C -0.704 176.174 176.870 0.012 0.000 1.023 518 L CA -0.230 54.564 54.840 -0.077 0.000 0.810 518 L CB 1.468 43.494 42.059 -0.055 0.000 1.231 518 L HN 0.574 nan 8.230 nan 0.000 0.423 519 I N 2.442 123.035 120.570 0.037 0.000 2.439 519 I HA 0.376 6.454 4.170 3.179 0.000 0.285 519 I C -1.059 175.164 176.117 0.177 0.000 1.021 519 I CA -0.505 60.872 61.300 0.127 0.000 1.091 519 I CB 1.791 39.861 38.000 0.117 0.000 1.242 519 I HN 0.592 nan 8.210 nan 0.000 0.439 520 H N 6.895 125.996 119.070 0.052 0.000 2.894 520 H HA 0.488 6.945 4.556 3.168 0.000 0.367 520 H C -2.751 172.597 175.328 0.034 0.000 1.144 520 H CA -1.279 54.786 56.048 0.029 0.000 1.180 520 H CB 3.091 32.849 29.762 -0.008 0.000 1.758 520 H HN 0.238 nan 8.280 nan 0.000 0.541 521 P HA 0.015 nan 4.420 nan 0.000 0.274 521 P C -0.013 177.310 177.300 0.038 0.000 1.231 521 P CA -0.141 62.916 63.100 -0.070 0.000 0.790 521 P CB 1.389 33.005 31.700 -0.141 0.000 0.951 522 Q N 1.846 121.668 119.800 0.038 0.000 2.376 522 Q HA -0.024 6.224 4.340 3.179 0.000 0.206 522 Q C -0.026 175.992 176.000 0.030 0.000 0.921 522 Q CA 1.033 56.867 55.803 0.051 0.000 0.911 522 Q CB 0.179 28.939 28.738 0.037 0.000 1.032 522 Q HN 0.535 nan 8.270 nan 0.000 0.510 523 N N 0.177 118.881 118.700 0.008 0.000 2.622 523 N HA 0.100 6.748 4.740 3.179 0.000 0.293 523 N C -1.784 173.714 175.510 -0.020 0.000 1.788 523 N CA -0.382 52.666 53.050 -0.004 0.000 0.860 523 N CB 0.150 38.636 38.487 -0.003 0.000 1.388 523 N HN -0.125 nan 8.380 nan 0.000 0.496 524 D N -0.487 119.893 120.400 -0.033 0.000 2.492 524 D HA 0.370 6.918 4.640 3.179 0.000 0.248 524 D C 0.242 176.499 176.300 -0.072 0.000 1.101 524 D CA -0.404 53.563 54.000 -0.055 0.000 0.840 524 D CB 1.917 42.670 40.800 -0.078 0.000 1.209 524 D HN 0.066 nan 8.370 nan 0.000 0.524 525 S N 2.445 118.098 115.700 -0.077 0.000 2.481 525 S HA -0.057 6.320 4.470 3.179 0.000 0.231 525 S C 2.115 176.596 174.600 -0.198 0.000 0.996 525 S CA 1.031 59.167 58.200 -0.107 0.000 0.942 525 S CB 0.055 63.206 63.200 -0.082 0.000 0.768 525 S HN 0.626 nan 8.310 nan 0.000 0.520 526 R N 1.138 121.516 120.500 -0.205 0.000 2.275 526 R HA 0.145 6.392 4.340 3.179 0.000 0.199 526 R C 1.369 177.480 176.300 -0.316 0.000 0.989 526 R CA 1.336 57.233 56.100 -0.339 0.000 1.016 526 R CB -0.873 29.332 30.300 -0.158 0.000 0.918 526 R HN 0.385 nan 8.270 nan 0.000 0.473 527 T N -0.197 114.244 114.554 -0.189 0.000 3.446 527 T HA 0.320 6.578 4.350 3.179 0.000 0.289 527 T C -3.261 171.437 174.700 -0.003 0.000 1.203 527 T CA -1.648 60.382 62.100 -0.117 0.000 1.645 527 T CB 1.318 70.079 68.868 -0.179 0.000 0.841 527 T HN 0.146 nan 8.240 nan 0.000 0.617 528 P HA 0.188 nan 4.420 nan 0.000 0.272 528 P C 0.830 178.199 177.300 0.115 0.000 1.223 528 P CA -0.630 62.486 63.100 0.026 0.000 0.784 528 P CB 1.187 32.868 31.700 -0.032 0.000 0.923 529 L N 2.646 123.917 121.223 0.080 0.000 2.209 529 L HA 0.007 6.254 4.340 3.179 0.000 0.207 529 L C 2.483 179.310 176.870 -0.071 0.000 1.094 529 L CA 1.688 56.549 54.840 0.034 0.000 0.790 529 L CB -0.902 41.192 42.059 0.058 0.000 0.932 529 L HN 0.298 nan 8.230 nan 0.000 0.447 530 K N -0.048 120.325 120.400 -0.045 0.000 2.020 530 K HA -0.173 6.054 4.320 3.179 0.000 0.212 530 K C -0.623 175.926 176.600 -0.086 0.000 1.050 530 K CA 2.196 58.449 56.287 -0.056 0.000 0.929 530 K CB -1.038 31.439 32.500 -0.037 0.000 0.714 530 K HN 0.291 nan 8.250 nan 0.000 0.443 531 P HA -0.131 nan 4.420 nan 0.000 0.220 531 P C 1.171 178.368 177.300 -0.171 0.000 1.148 531 P CA 0.831 63.862 63.100 -0.115 0.000 0.803 531 P CB 0.069 31.706 31.700 -0.106 0.000 0.782 532 L N -1.150 119.930 121.223 -0.238 0.000 2.141 532 L HA -0.069 6.178 4.340 3.179 0.000 0.209 532 L C 2.214 178.938 176.870 -0.243 0.000 1.094 532 L CA 1.427 56.070 54.840 -0.329 0.000 0.763 532 L CB -0.947 40.744 42.059 -0.613 0.000 0.908 532 L HN -0.144 nan 8.230 nan 0.000 0.437 533 L N -1.204 119.914 121.223 -0.176 0.000 2.056 533 L HA -0.200 6.048 4.340 3.179 0.000 0.207 533 L C 2.718 179.509 176.870 -0.131 0.000 1.078 533 L CA 1.112 55.874 54.840 -0.129 0.000 0.749 533 L CB -0.518 41.490 42.059 -0.084 0.000 0.901 533 L HN 0.202 nan 8.230 nan 0.000 0.433 534 R N -0.250 120.175 120.500 -0.125 0.000 2.083 534 R HA -0.225 6.022 4.340 3.179 0.000 0.237 534 R C 2.241 178.448 176.300 -0.156 0.000 1.137 534 R CA 1.551 57.580 56.100 -0.118 0.000 0.951 534 R CB -0.583 29.657 30.300 -0.101 0.000 0.851 534 R HN 0.166 nan 8.270 nan 0.000 0.434 535 L N 0.863 121.971 121.223 -0.192 0.000 1.989 535 L HA -0.201 6.047 4.340 3.179 0.000 0.211 535 L C 2.184 178.855 176.870 -0.332 0.000 1.071 535 L CA 1.815 56.512 54.840 -0.239 0.000 0.749 535 L CB -0.365 41.542 42.059 -0.254 0.000 0.890 535 L HN 0.197 nan 8.230 nan 0.000 0.431 536 M N -1.079 118.304 119.600 -0.362 0.000 2.108 536 M HA -0.185 6.202 4.480 3.179 0.000 0.261 536 M C 2.120 178.211 176.300 -0.348 0.000 1.066 536 M CA 1.870 56.864 55.300 -0.510 0.000 1.107 536 M CB -1.041 31.401 32.600 -0.265 0.000 1.356 536 M HN 0.508 nan 8.290 nan 0.000 0.406 537 G N -0.240 108.447 108.800 -0.188 0.000 2.418 537 G HA2 -0.190 5.677 3.960 3.179 0.000 0.217 537 G HA3 -0.190 5.677 3.960 3.179 0.000 0.217 537 G C 1.430 176.263 174.900 -0.112 0.000 1.158 537 G CA 0.653 45.689 45.100 -0.107 0.000 0.771 537 G HN 0.378 nan 8.290 nan 0.000 0.545 538 E N 0.414 120.527 120.200 -0.145 0.000 2.047 538 E HA -0.035 6.223 4.350 3.179 0.000 0.191 538 E C 2.749 179.269 176.600 -0.134 0.000 0.987 538 E CA 0.412 56.738 56.400 -0.122 0.000 0.799 538 E CB -0.345 29.280 29.700 -0.126 0.000 0.752 538 E HN 0.422 nan 8.360 nan 0.000 0.449 539 L N 0.533 121.612 121.223 -0.241 0.000 1.990 539 L HA -0.246 6.002 4.340 3.179 0.000 0.213 539 L C 2.716 179.551 176.870 -0.058 0.000 1.072 539 L CA 1.065 55.755 54.840 -0.250 0.000 0.755 539 L CB -0.577 41.068 42.059 -0.691 0.000 0.889 539 L HN 0.144 nan 8.230 nan 0.000 0.432 540 L N -0.091 121.120 121.223 -0.020 0.000 2.017 540 L HA -0.142 6.105 4.340 3.179 0.000 0.208 540 L C 2.656 179.566 176.870 0.067 0.000 1.073 540 L CA 1.940 56.870 54.840 0.150 0.000 0.745 540 L CB -0.626 41.535 42.059 0.169 0.000 0.894 540 L HN 0.160 nan 8.230 nan 0.000 0.432 541 A N -0.144 122.685 122.820 0.015 0.000 1.908 541 A HA -0.229 5.998 4.320 3.179 0.000 0.218 541 A C 2.236 179.826 177.584 0.010 0.000 1.181 541 A CA 1.995 54.035 52.037 0.006 0.000 0.627 541 A CB -0.595 18.396 19.000 -0.014 0.000 0.818 541 A HN 0.568 nan 8.150 nan 0.000 0.445 542 R N -1.185 119.318 120.500 0.006 0.000 2.356 542 R HA 0.284 6.531 4.340 3.179 0.000 0.234 542 R C 1.028 177.346 176.300 0.030 0.000 0.929 542 R CA 0.423 56.529 56.100 0.009 0.000 1.084 542 R CB -0.163 30.134 30.300 -0.005 0.000 1.105 542 R HN 0.648 nan 8.270 nan 0.000 0.515 543 G N 1.925 110.755 108.800 0.050 0.000 2.221 543 G HA2 -0.280 5.588 3.960 3.179 0.000 0.265 543 G HA3 -0.280 5.588 3.960 3.179 0.000 0.265 543 G C -0.251 174.700 174.900 0.084 0.000 1.041 543 G CA 0.080 45.218 45.100 0.064 0.000 0.807 543 G HN 0.092 nan 8.290 nan 0.000 0.502 544 K N 0.566 121.034 120.400 0.114 0.000 2.174 544 K HA 0.454 6.681 4.320 3.179 0.000 0.275 544 K C 0.588 177.326 176.600 0.230 0.000 1.015 544 K CA -0.263 56.106 56.287 0.137 0.000 0.933 544 K CB 0.869 33.428 32.500 0.099 0.000 1.025 544 K HN 0.108 nan 8.250 nan 0.000 0.463 545 T N 4.125 118.787 114.554 0.181 0.000 2.779 545 T HA 0.395 6.653 4.350 3.179 0.000 0.296 545 T C -0.144 174.722 174.700 0.277 0.000 0.938 545 T CA -0.094 62.107 62.100 0.168 0.000 1.119 545 T CB -0.457 68.486 68.868 0.124 0.000 0.891 545 T HN 0.444 nan 8.240 nan 0.000 0.526 546 F N 0.672 120.646 119.950 0.040 0.000 2.654 546 F HA 0.751 7.183 4.527 3.174 0.000 0.308 546 F C -0.785 175.012 175.800 -0.005 0.000 1.108 546 F CA -1.349 56.658 58.000 0.011 0.000 0.957 546 F CB 1.556 40.531 39.000 -0.041 0.000 1.309 546 F HN 0.409 nan 8.300 nan 0.000 0.446 547 E N 1.837 122.027 120.200 -0.016 0.000 2.207 547 E HA 0.813 7.070 4.350 3.179 0.000 0.270 547 E C -1.618 174.935 176.600 -0.079 0.000 0.927 547 E CA -1.252 55.066 56.400 -0.138 0.000 0.799 547 E CB 2.037 31.710 29.700 -0.046 0.000 1.172 547 E HN 1.066 nan 8.360 nan 0.000 0.404 548 A N 4.128 126.814 122.820 -0.223 0.000 2.398 548 A HA 0.482 6.709 4.320 3.179 0.000 0.301 548 A C -1.627 175.684 177.584 -0.455 0.000 1.041 548 A CA -0.686 51.258 52.037 -0.156 0.000 0.711 548 A CB 1.108 20.138 19.000 0.050 0.000 1.240 548 A HN 0.706 nan 8.150 nan 0.000 0.420 549 H N 2.691 121.777 119.070 0.028 0.000 2.860 549 H HA 0.390 4.965 4.556 0.032 0.000 0.312 549 H C -1.218 174.142 175.328 0.053 0.000 0.995 549 H CA -0.213 55.856 56.048 0.035 0.000 1.311 549 H CB 1.349 31.129 29.762 0.029 0.000 1.478 549 H HN 0.528 nan 8.280 nan 0.000 0.508 550 I N 5.209 125.853 120.570 0.124 0.000 2.330 550 I HA 0.233 6.310 4.170 3.179 0.000 0.289 550 I C -0.383 175.789 176.117 0.093 0.000 1.001 550 I CA -0.452 60.914 61.300 0.110 0.000 1.193 550 I CB 0.802 38.846 38.000 0.073 0.000 1.345 550 I HN 0.295 nan 8.210 nan 0.000 0.461 551 I N 8.471 129.091 120.570 0.084 0.000 2.608 551 I HA 0.466 6.544 4.170 3.179 0.000 0.295 551 I C -2.508 173.629 176.117 0.033 0.000 1.049 551 I CA -2.065 59.267 61.300 0.055 0.000 1.063 551 I CB 1.885 39.914 38.000 0.048 0.000 1.248 551 I HN 0.280 nan 8.210 nan 0.000 0.424 552 P HA 0.362 nan 4.420 nan 0.000 0.284 552 P C 0.032 177.333 177.300 0.002 0.000 1.253 552 P CA 0.308 63.415 63.100 0.011 0.000 0.800 552 P CB 0.482 32.188 31.700 0.009 0.000 0.961 553 D N -1.081 119.316 120.400 -0.005 0.000 2.981 553 D HA -0.031 6.516 4.640 3.179 0.000 0.223 553 D C 0.343 176.635 176.300 -0.013 0.000 1.151 553 D CA 0.931 54.925 54.000 -0.010 0.000 0.827 553 D CB -1.771 39.023 40.800 -0.009 0.000 1.101 553 D HN 0.682 nan 8.370 nan 0.000 0.426 557 A N 0.190 123.009 122.820 -0.001 0.000 2.366 557 A HA 0.517 6.744 4.320 3.179 0.000 0.250 557 A C 0.544 178.127 177.584 -0.002 0.000 1.099 557 A CA -0.112 51.930 52.037 0.008 0.000 0.794 557 A CB -0.125 18.889 19.000 0.023 0.000 1.056 557 A HN 1.062 nan 8.150 nan 0.000 0.499 558 I N 1.233 121.804 120.570 0.001 0.000 2.308 558 I HA 0.133 6.211 4.170 3.179 0.000 0.293 558 I C 0.317 176.402 176.117 -0.053 0.000 1.078 558 I CA 0.072 61.337 61.300 -0.059 0.000 1.292 558 I CB -0.146 37.757 38.000 -0.163 0.000 1.423 558 I HN 0.853 nan 8.210 nan 0.000 0.493 559 N N 3.461 122.134 118.700 -0.045 0.000 2.646 559 N HA 0.037 6.685 4.740 3.179 0.000 0.214 559 N C 0.250 175.734 175.510 -0.042 0.000 1.042 559 N CA 0.125 53.155 53.050 -0.034 0.000 0.925 559 N CB 0.364 38.838 38.487 -0.021 0.000 1.383 559 N HN 0.670 nan 8.380 nan 0.000 0.439 560 T N -1.226 113.301 114.554 -0.044 0.000 2.847 560 T HA 0.181 6.439 4.350 3.179 0.000 0.279 560 T C 1.097 175.762 174.700 -0.057 0.000 0.984 560 T CA -0.512 61.562 62.100 -0.044 0.000 0.988 560 T CB 1.376 70.223 68.868 -0.035 0.000 1.040 560 T HN -0.114 nan 8.240 nan 0.000 0.528 561 M N 0.338 119.908 119.600 -0.050 0.000 2.117 561 M HA 0.033 6.420 4.480 3.179 0.000 0.262 561 M C 2.217 178.478 176.300 -0.063 0.000 1.065 561 M CA 1.776 57.041 55.300 -0.058 0.000 1.114 561 M CB -1.281 31.295 32.600 -0.041 0.000 1.361 561 M HN 0.942 nan 8.290 nan 0.000 0.408 562 E N -0.084 120.086 120.200 -0.049 0.000 2.070 562 E HA -0.260 5.997 4.350 3.179 0.000 0.197 562 E C 1.528 178.093 176.600 -0.057 0.000 1.004 562 E CA 2.063 58.436 56.400 -0.046 0.000 0.805 562 E CB -0.155 29.526 29.700 -0.033 0.000 0.744 562 E HN 0.559 nan 8.360 nan 0.000 0.451 563 D N -0.053 120.310 120.400 -0.061 0.000 2.123 563 D HA -0.191 6.356 4.640 3.179 0.000 0.196 563 D C 1.883 178.120 176.300 -0.105 0.000 0.992 563 D CA 1.392 55.350 54.000 -0.070 0.000 0.833 563 D CB -0.365 40.395 40.800 -0.066 0.000 0.954 563 D HN 0.342 nan 8.370 nan 0.000 0.455 564 A N 1.083 123.823 122.820 -0.134 0.000 1.908 564 A HA -0.159 6.069 4.320 3.179 0.000 0.218 564 A C 2.490 179.968 177.584 -0.176 0.000 1.181 564 A CA 2.070 53.992 52.037 -0.191 0.000 0.627 564 A CB -0.885 18.003 19.000 -0.188 0.000 0.818 564 A HN 0.245 nan 8.150 nan 0.000 0.445 565 V N -1.140 118.691 119.914 -0.138 0.000 2.548 565 V HA -0.149 5.878 4.120 3.179 0.000 0.249 565 V C 1.957 177.973 176.094 -0.129 0.000 1.055 565 V CA 2.455 64.668 62.300 -0.146 0.000 1.065 565 V CB -0.619 31.144 31.823 -0.100 0.000 0.681 565 V HN 0.534 nan 8.190 nan 0.000 0.462 566 K N -0.586 119.761 120.400 -0.089 0.000 2.062 566 K HA 0.063 6.290 4.320 3.179 0.000 0.205 566 K C 1.853 178.425 176.600 -0.046 0.000 1.051 566 K CA 1.773 58.026 56.287 -0.056 0.000 0.941 566 K CB -0.074 32.408 32.500 -0.031 0.000 0.719 566 K HN 0.458 nan 8.250 nan 0.000 0.440 567 I N -0.723 119.817 120.570 -0.049 0.000 3.883 567 I HA -0.021 6.056 4.170 3.179 0.000 0.305 567 I C 1.377 177.535 176.117 0.067 0.000 1.247 567 I CA 0.320 61.636 61.300 0.027 0.000 1.350 567 I CB 0.482 38.483 38.000 0.003 0.000 1.194 567 I HN 0.007 nan 8.210 nan 0.000 0.441 568 L N -0.904 120.268 121.223 -0.084 0.000 2.349 568 L HA 0.198 6.445 4.340 3.179 0.000 0.200 568 L C 1.952 178.717 176.870 -0.175 0.000 1.064 568 L CA 1.406 56.174 54.840 -0.121 0.000 0.821 568 L CB -0.754 41.079 42.059 -0.376 0.000 1.027 568 L HN 0.023 nan 8.230 nan 0.000 0.476 569 L N 0.797 121.843 121.223 -0.296 0.000 2.043 569 L HA -0.116 6.132 4.340 3.179 0.000 0.212 569 L C -0.519 176.003 176.870 -0.580 0.000 1.075 569 L CA 2.260 56.772 54.840 -0.547 0.000 0.752 569 L CB -1.903 39.786 42.059 -0.618 0.000 0.891 569 L HN 0.208 nan 8.230 nan 0.000 0.432 570 P HA -0.122 nan 4.420 nan 0.000 0.217 570 P C 1.541 178.826 177.300 -0.024 0.000 1.150 570 P CA 1.712 64.646 63.100 -0.276 0.000 0.832 570 P CB -0.056 31.303 31.700 -0.569 0.000 0.787 571 A N -0.404 122.408 122.820 -0.014 0.000 1.845 571 A HA -0.172 6.055 4.320 3.179 0.000 0.215 571 A C 2.331 179.965 177.584 0.083 0.000 1.195 571 A CA 2.085 54.159 52.037 0.063 0.000 0.616 571 A CB -1.753 17.306 19.000 0.099 0.000 0.832 571 A HN 0.015 nan 8.150 nan 0.000 0.443 572 V N -0.716 119.198 119.914 0.001 0.000 2.332 572 V HA -0.243 5.785 4.120 3.179 0.000 0.248 572 V C 2.402 178.631 176.094 0.224 0.000 1.055 572 V CA 1.985 64.298 62.300 0.022 0.000 1.038 572 V CB -1.054 30.759 31.823 -0.015 0.000 0.651 572 V HN 0.508 nan 8.190 nan 0.000 0.450 573 F N -0.343 119.692 119.950 0.141 0.000 2.134 573 F HA -0.109 6.307 4.527 3.149 0.000 0.299 573 F C 2.256 178.180 175.800 0.208 0.000 1.097 573 F CA 1.053 59.193 58.000 0.233 0.000 1.264 573 F CB -1.354 37.859 39.000 0.356 0.000 1.001 573 F HN 0.231 nan 8.300 nan 0.000 0.479 574 F N 0.631 120.739 119.950 0.263 0.000 2.095 574 F HA -0.211 6.225 4.527 3.181 0.000 0.298 574 F C 2.077 177.893 175.800 0.027 0.000 1.104 574 F CA 1.642 59.727 58.000 0.142 0.000 1.232 574 F CB -0.602 38.461 39.000 0.104 0.000 0.987 574 F HN -0.120 nan 8.300 nan 0.000 0.475 575 L N -0.125 121.065 121.223 -0.055 0.000 2.093 575 L HA -0.125 6.122 4.340 3.179 0.000 0.208 575 L C 2.798 179.592 176.870 -0.127 0.000 1.085 575 L CA 1.022 55.634 54.840 -0.380 0.000 0.755 575 L CB -1.133 40.553 42.059 -0.621 0.000 0.904 575 L HN 0.250 nan 8.230 nan 0.000 0.435 576 A N -0.734 122.147 122.820 0.101 0.000 1.972 576 A HA -0.185 6.042 4.320 3.179 0.000 0.219 576 A C 2.355 179.909 177.584 -0.050 0.000 1.169 576 A CA 2.247 54.361 52.037 0.128 0.000 0.635 576 A CB -0.729 18.325 19.000 0.090 0.000 0.810 576 A HN 0.353 nan 8.150 nan 0.000 0.446 577 T N -0.432 114.074 114.554 -0.081 0.000 2.896 577 T HA -0.078 6.179 4.350 3.179 0.000 0.263 577 T C 2.026 176.645 174.700 -0.135 0.000 1.050 577 T CA 1.267 63.308 62.100 -0.099 0.000 1.140 577 T CB -0.155 68.697 68.868 -0.026 0.000 0.877 577 T HN 0.429 nan 8.240 nan 0.000 0.457 578 Q N 0.829 120.482 119.800 -0.246 0.000 2.224 578 Q HA 0.028 6.276 4.340 3.179 0.000 0.203 578 Q C 2.265 178.276 176.000 0.018 0.000 0.970 578 Q CA 0.839 56.532 55.803 -0.182 0.000 0.865 578 Q CB -0.292 28.242 28.738 -0.340 0.000 0.922 578 Q HN 0.460 nan 8.270 nan 0.000 0.445 579 R N 1.755 122.264 120.500 0.016 0.000 2.148 579 R HA -0.115 6.133 4.340 3.179 0.000 0.227 579 R C 0.610 176.935 176.300 0.041 0.000 1.103 579 R CA 1.072 57.237 56.100 0.109 0.000 0.983 579 R CB 0.177 30.492 30.300 0.025 0.000 0.874 579 R HN 0.290 nan 8.270 nan 0.000 0.451 580 E N 1.240 121.435 120.200 -0.008 0.000 2.354 580 E HA 0.070 6.327 4.350 3.179 0.000 0.252 580 E C -0.437 176.159 176.600 -0.007 0.000 1.330 580 E CA -0.523 55.864 56.400 -0.022 0.000 1.658 580 E CB 0.097 29.767 29.700 -0.050 0.000 1.460 580 E HN 0.327 nan 8.360 nan 0.000 0.435 581 R N 0.000 120.509 120.500 0.015 0.000 2.786 581 R HA 0.000 6.247 4.340 3.179 0.000 0.208 581 R CA 0.000 56.108 56.100 0.013 0.000 0.921 581 R CB 0.000 30.309 30.300 0.014 0.000 0.687 581 R HN 0.000 nan 8.270 nan 0.000 0.535