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 2hu8_1_A DATA FIRST_RESID 8 DATA SEQUENCE EFSRIVRDVE RLIAVEKYSL QGVVDGDKLL VVGFSEGSVN AYLYDGGETV DATA SEQUENCE KLNREPINSV LDPHYGVGRV ILVRDVSKGA EQHALFKVNT SRPGEEQRLE DATA SEQUENCE AVKPMRILSG VDTGEAVVFT GATEDRVALY ALDGGGLREL ARLPGFGFVS DATA SEQUENCE DIRGDLIAGL GFFGGGRVSL FTSNLSSGGL RVFDSGEGSF SSASISPGMK DATA SEQUENCE VTAGLETARE ARLVTVDPRD GSVEDLELPS KDFSSYRPTA ITWLGYLPDG DATA SEQUENCE RLAVVARREG RSAVFIDGER VEAPQGNHGR VVLWRGKLVT SHTSLSTPPR DATA SEQUENCE IVSLPSGEPL LEGGLPEDLR RSIAGSRLVW VESFDGSRVP TYVLESGRAP DATA SEQUENCE TPGPTVVLVH GGPFAEDSDS WDTFAASLAA AGFHVVMPNY RGSTGYGEEW DATA SEQUENCE RLKIIGDPCG GELEDVSAAA RWARESGLAS ELYIMGYAYG GYMTLCALTM DATA SEQUENCE KPGLFKAGVA GASVVDWEEM YELSDAAFRN FIEQLTGGSR EIMRSRSPIN DATA SEQUENCE HVDRIKEPLA LIHPQNDSRT PLKPLLRLMG ELLARGKTFE AHIIPDAGHA DATA SEQUENCE INTMEDAVKI LLPAVFFLAT QRERR 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 8 E HA 0.000 nan 4.350 nan 0.000 0.291 8 E C 0.000 176.766 176.600 0.277 0.000 1.382 8 E CA 0.000 56.466 56.400 0.110 0.000 0.976 8 E CB 0.000 29.749 29.700 0.081 0.000 0.812 9 F N 0.768 120.664 119.950 -0.091 0.000 2.558 9 F HA -0.064 4.451 4.527 -0.019 0.000 0.298 9 F C 2.556 178.393 175.800 0.062 0.000 1.119 9 F CA 1.229 59.153 58.000 -0.126 0.000 1.451 9 F CB -0.251 38.445 39.000 -0.506 0.000 1.091 9 F HN 0.308 nan 8.300 nan 0.000 0.563 10 S N -0.164 115.671 115.700 0.226 0.000 2.402 10 S HA -0.151 4.313 4.470 -0.009 0.000 0.229 10 S C 2.362 177.052 174.600 0.150 0.000 1.021 10 S CA 0.905 59.211 58.200 0.177 0.000 0.974 10 S CB -0.404 62.860 63.200 0.108 0.000 0.800 10 S HN 0.210 nan 8.310 nan 0.000 0.484 11 R N 0.801 121.380 120.500 0.133 0.000 2.115 11 R HA 0.303 4.637 4.340 -0.009 0.000 0.230 11 R C 2.306 178.673 176.300 0.112 0.000 1.111 11 R CA 1.174 57.335 56.100 0.103 0.000 0.976 11 R CB -1.505 28.845 30.300 0.082 0.000 0.870 11 R HN 0.713 nan 8.270 nan 0.000 0.445 12 I N 0.205 120.863 120.570 0.147 0.000 2.226 12 I HA -0.229 3.936 4.170 -0.009 0.000 0.245 12 I C 2.298 178.495 176.117 0.135 0.000 1.100 12 I CA 1.372 62.758 61.300 0.144 0.000 1.374 12 I CB -0.407 37.696 38.000 0.171 0.000 1.057 12 I HN 0.062 nan 8.210 nan 0.000 0.413 13 V N 1.631 121.653 119.914 0.180 0.000 2.343 13 V HA -0.253 3.861 4.120 -0.009 0.000 0.247 13 V C 2.483 178.613 176.094 0.060 0.000 1.051 13 V CA 2.292 64.651 62.300 0.099 0.000 1.036 13 V CB -0.818 31.092 31.823 0.146 0.000 0.654 13 V HN 0.544 nan 8.190 nan 0.000 0.451 14 R N 0.169 120.713 120.500 0.073 0.000 2.240 14 R HA 0.014 4.349 4.340 -0.009 0.000 0.203 14 R C 1.458 177.790 176.300 0.053 0.000 1.011 14 R CA 1.251 57.383 56.100 0.054 0.000 1.007 14 R CB -0.771 29.560 30.300 0.052 0.000 0.911 14 R HN 0.344 nan 8.270 nan 0.000 0.468 15 D N 0.485 120.922 120.400 0.061 0.000 2.103 15 D HA -0.042 4.593 4.640 -0.009 0.000 0.199 15 D C 1.857 178.196 176.300 0.065 0.000 0.978 15 D CA 1.229 55.268 54.000 0.065 0.000 0.829 15 D CB -0.007 40.834 40.800 0.069 0.000 0.981 15 D HN 0.091 nan 8.370 nan 0.000 0.464 16 V N 1.164 121.108 119.914 0.049 0.000 2.343 16 V HA -0.199 3.916 4.120 -0.009 0.000 0.247 16 V C 2.292 178.411 176.094 0.042 0.000 1.051 16 V CA 1.535 63.858 62.300 0.039 0.000 1.036 16 V CB -0.376 31.440 31.823 -0.012 0.000 0.654 16 V HN 0.187 nan 8.190 nan 0.000 0.451 17 E N -0.218 119.999 120.200 0.028 0.000 2.077 17 E HA -0.214 4.131 4.350 -0.009 0.000 0.193 17 E C 2.503 179.122 176.600 0.032 0.000 0.989 17 E CA 1.197 57.610 56.400 0.022 0.000 0.800 17 E CB -0.109 29.599 29.700 0.014 0.000 0.746 17 E HN 0.509 nan 8.360 nan 0.000 0.452 18 R N 0.073 120.597 120.500 0.041 0.000 2.115 18 R HA -0.015 4.320 4.340 -0.009 0.000 0.226 18 R C 2.375 178.711 176.300 0.061 0.000 1.100 18 R CA 0.558 56.682 56.100 0.040 0.000 0.980 18 R CB -0.048 30.277 30.300 0.042 0.000 0.875 18 R HN 0.145 nan 8.270 nan 0.000 0.445 19 L N 0.177 121.459 121.223 0.098 0.000 2.072 19 L HA -0.119 4.215 4.340 -0.009 0.000 0.205 19 L C 2.171 179.144 176.870 0.171 0.000 1.079 19 L CA 1.157 56.097 54.840 0.167 0.000 0.752 19 L CB -0.173 42.010 42.059 0.206 0.000 0.906 19 L HN 0.163 nan 8.230 nan 0.000 0.436 20 I N -0.431 120.220 120.570 0.136 0.000 2.315 20 I HA -0.239 3.926 4.170 -0.009 0.000 0.248 20 I C 2.625 178.819 176.117 0.128 0.000 1.117 20 I CA 1.052 62.447 61.300 0.158 0.000 1.404 20 I CB -0.305 37.774 38.000 0.131 0.000 1.071 20 I HN 0.183 nan 8.210 nan 0.000 0.419 21 A N 0.271 123.120 122.820 0.049 0.000 2.014 21 A HA 0.024 4.339 4.320 -0.009 0.000 0.218 21 A C 1.283 178.849 177.584 -0.030 0.000 1.163 21 A CA 0.244 52.272 52.037 -0.014 0.000 0.652 21 A CB -0.573 18.413 19.000 -0.023 0.000 0.808 21 A HN 0.132 nan 8.150 nan 0.000 0.449 22 V N 1.907 121.809 119.914 -0.020 0.000 2.584 22 V HA -0.057 4.058 4.120 -0.009 0.000 0.303 22 V C 0.408 176.436 176.094 -0.109 0.000 1.035 22 V CA 0.196 62.450 62.300 -0.076 0.000 1.172 22 V CB -0.156 31.590 31.823 -0.129 0.000 0.896 22 V HN 0.562 nan 8.190 nan 0.000 0.486 23 E N 3.992 124.111 120.200 -0.135 0.000 2.384 23 E HA 0.275 4.620 4.350 -0.009 0.000 0.266 23 E C -0.379 176.003 176.600 -0.363 0.000 1.012 23 E CA 0.178 56.429 56.400 -0.249 0.000 0.901 23 E CB 0.556 30.143 29.700 -0.190 0.000 0.967 23 E HN 0.553 nan 8.360 nan 0.000 0.435 24 K N 2.219 122.304 120.400 -0.525 0.000 2.378 24 K HA 0.448 4.763 4.320 -0.009 0.000 0.252 24 K C -1.524 174.713 176.600 -0.605 0.000 0.931 24 K CA -0.619 55.413 56.287 -0.425 0.000 0.794 24 K CB 1.421 33.777 32.500 -0.239 0.000 1.181 24 K HN 0.366 nan 8.250 nan 0.000 0.425 25 Y N 0.133 120.374 120.300 -0.099 0.000 2.406 25 Y HA 0.315 4.860 4.550 -0.009 0.000 0.340 25 Y C -0.170 175.671 175.900 -0.099 0.000 0.975 25 Y CA -0.977 57.071 58.100 -0.087 0.000 1.056 25 Y CB 2.323 40.704 38.460 -0.131 0.000 1.210 25 Y HN 0.565 nan 8.280 nan 0.000 0.448 26 S N 2.974 118.709 115.700 0.059 0.000 2.509 26 S HA 0.669 5.133 4.470 -0.009 0.000 0.297 26 S C -1.153 173.434 174.600 -0.021 0.000 1.118 26 S CA -0.784 57.410 58.200 -0.010 0.000 1.074 26 S CB 1.644 64.823 63.200 -0.035 0.000 1.038 26 S HN 0.595 nan 8.310 nan 0.000 0.498 27 L N 2.605 123.780 121.223 -0.080 0.000 2.305 27 L HA 0.484 4.819 4.340 -0.009 0.000 0.281 27 L C 0.714 177.511 176.870 -0.121 0.000 1.085 27 L CA 0.366 55.136 54.840 -0.117 0.000 0.813 27 L CB 0.900 42.861 42.059 -0.162 0.000 1.157 27 L HN 0.806 nan 8.230 nan 0.000 0.436 28 Q N 3.810 123.552 119.800 -0.097 0.000 2.431 28 Q HA 0.498 4.833 4.340 -0.009 0.000 0.244 28 Q C 0.569 176.518 176.000 -0.086 0.000 0.880 28 Q CA 0.680 56.439 55.803 -0.073 0.000 0.954 28 Q CB 1.193 29.912 28.738 -0.032 0.000 1.105 28 Q HN 0.922 nan 8.270 nan 0.000 0.558 29 G N -0.449 108.278 108.800 -0.122 0.000 2.367 29 G HA2 0.311 4.266 3.960 -0.009 0.000 0.272 29 G HA3 0.311 4.266 3.960 -0.009 0.000 0.272 29 G C -1.810 172.957 174.900 -0.221 0.000 1.271 29 G CA -0.440 44.545 45.100 -0.191 0.000 0.893 29 G HN -0.090 nan 8.290 nan 0.000 0.485 30 V N 0.484 120.193 119.914 -0.342 0.000 2.656 30 V HA 0.807 4.922 4.120 -0.009 0.000 0.307 30 V C 0.209 176.243 176.094 -0.100 0.000 1.051 30 V CA -0.054 62.128 62.300 -0.197 0.000 0.893 30 V CB 1.246 32.958 31.823 -0.186 0.000 0.999 30 V HN 1.720 nan 8.190 nan 0.000 0.426 31 V N 0.595 120.515 119.914 0.011 0.000 3.182 31 V HA 0.794 4.909 4.120 -0.009 0.000 0.308 31 V C -0.063 176.077 176.094 0.076 0.000 1.240 31 V CA -0.738 61.588 62.300 0.043 0.000 1.063 31 V CB 1.736 33.578 31.823 0.031 0.000 1.076 31 V HN 0.813 nan 8.190 nan 0.000 0.446 32 D N 0.252 120.695 120.400 0.071 0.000 2.699 32 D HA 0.066 4.701 4.640 -0.009 0.000 0.239 32 D C 1.059 177.407 176.300 0.080 0.000 1.136 32 D CA 2.484 56.525 54.000 0.069 0.000 0.668 32 D CB -1.123 39.714 40.800 0.062 0.000 1.060 32 D HN 2.262 nan 8.370 nan 0.000 0.429 33 G N 0.277 109.131 108.800 0.090 0.000 4.886 33 G HA2 -0.331 3.624 3.960 -0.009 0.000 0.305 33 G HA3 -0.331 3.624 3.960 -0.009 0.000 0.305 33 G C 0.152 175.128 174.900 0.127 0.000 1.483 33 G CA 0.358 45.514 45.100 0.093 0.000 1.029 33 G HN 0.594 nan 8.290 nan 0.000 0.746 34 D N 1.535 122.016 120.400 0.136 0.000 2.846 34 D HA 0.389 5.023 4.640 -0.009 0.000 0.279 34 D C -0.613 175.901 176.300 0.357 0.000 1.222 34 D CA -0.102 54.025 54.000 0.211 0.000 0.769 34 D CB 0.041 40.887 40.800 0.077 0.000 1.299 34 D HN 0.502 nan 8.370 nan 0.000 0.537 35 K N 1.295 121.880 120.400 0.309 0.000 2.426 35 K HA 0.439 4.753 4.320 -0.009 0.000 0.254 35 K C 0.045 176.722 176.600 0.129 0.000 0.936 35 K CA -0.810 55.648 56.287 0.284 0.000 0.801 35 K CB 2.679 35.270 32.500 0.152 0.000 1.139 35 K HN 0.074 nan 8.250 nan 0.000 0.424 36 L N 3.326 124.523 121.223 -0.044 0.000 2.490 36 L HA 0.097 4.431 4.340 -0.009 0.000 0.274 36 L C -0.032 176.805 176.870 -0.056 0.000 1.201 36 L CA -0.398 54.340 54.840 -0.171 0.000 0.869 36 L CB 0.013 41.834 42.059 -0.397 0.000 1.123 36 L HN 0.387 nan 8.230 nan 0.000 0.484 37 L N 5.090 126.277 121.223 -0.059 0.000 2.272 37 L HA 0.577 4.912 4.340 -0.009 0.000 0.289 37 L C -0.594 176.265 176.870 -0.018 0.000 1.032 37 L CA -0.023 54.808 54.840 -0.014 0.000 0.810 37 L CB 1.510 43.561 42.059 -0.014 0.000 1.205 37 L HN 0.243 nan 8.230 nan 0.000 0.422 38 V N 5.458 125.399 119.914 0.044 0.000 2.735 38 V HA 0.519 4.633 4.120 -0.009 0.000 0.310 38 V C -0.334 175.852 176.094 0.153 0.000 1.061 38 V CA -0.800 61.547 62.300 0.077 0.000 0.913 38 V CB 2.076 33.951 31.823 0.086 0.000 1.005 38 V HN 0.531 nan 8.190 nan 0.000 0.428 39 V N 2.853 122.840 119.914 0.122 0.000 2.481 39 V HA 0.841 4.956 4.120 -0.009 0.000 0.286 39 V C 0.641 176.850 176.094 0.191 0.000 1.042 39 V CA 0.098 62.476 62.300 0.130 0.000 0.928 39 V CB 1.563 33.419 31.823 0.056 0.000 0.986 39 V HN 1.058 nan 8.190 nan 0.000 0.462 40 G N 3.131 112.073 108.800 0.237 0.000 2.741 40 G HA2 0.505 4.459 3.960 -0.009 0.000 0.293 40 G HA3 0.505 4.459 3.960 -0.009 0.000 0.293 40 G C -1.175 173.794 174.900 0.115 0.000 1.457 40 G CA -0.559 44.588 45.100 0.078 0.000 1.098 40 G HN 0.356 nan 8.290 nan 0.000 0.536 41 F N 2.567 122.395 119.950 -0.204 0.000 2.518 41 F HA 0.508 5.030 4.527 -0.010 0.000 0.375 41 F C 0.810 176.488 175.800 -0.203 0.000 1.097 41 F CA 0.236 58.136 58.000 -0.166 0.000 1.108 41 F CB 0.755 39.647 39.000 -0.180 0.000 1.078 41 F HN 0.354 nan 8.300 nan 0.000 0.564 42 S N 3.881 119.483 115.700 -0.164 0.000 2.556 42 S HA 0.320 4.785 4.470 -0.009 0.000 0.280 42 S C -0.668 173.881 174.600 -0.085 0.000 1.141 42 S CA -0.746 57.383 58.200 -0.119 0.000 0.883 42 S CB 0.847 64.025 63.200 -0.035 0.000 1.103 42 S HN 0.605 nan 8.310 nan 0.000 0.453 43 E N 1.842 121.987 120.200 -0.090 0.000 2.586 43 E HA -0.245 4.100 4.350 -0.009 0.000 0.259 43 E C 0.801 177.327 176.600 -0.124 0.000 1.107 43 E CA 1.292 57.651 56.400 -0.068 0.000 0.754 43 E CB -1.892 27.812 29.700 0.007 0.000 1.335 43 E HN 1.792 nan 8.360 nan 0.000 0.411 44 G N -0.892 107.772 108.800 -0.227 0.000 2.175 44 G HA2 -0.311 3.644 3.960 -0.009 0.000 0.244 44 G HA3 -0.311 3.644 3.960 -0.009 0.000 0.244 44 G C 0.198 174.870 174.900 -0.380 0.000 0.982 44 G CA 0.645 45.578 45.100 -0.278 0.000 0.641 44 G HN 1.052 nan 8.290 nan 0.000 0.527 45 S N -1.952 113.497 115.700 -0.418 0.000 2.636 45 S HA 0.687 5.151 4.470 -0.009 0.000 0.268 45 S C -0.653 173.834 174.600 -0.188 0.000 1.159 45 S CA -0.394 57.612 58.200 -0.322 0.000 0.815 45 S CB 2.191 65.308 63.200 -0.138 0.000 1.130 45 S HN 1.249 nan 8.310 nan 0.000 0.471 46 V N 2.335 122.284 119.914 0.058 0.000 2.455 46 V HA 0.492 4.606 4.120 -0.009 0.000 0.273 46 V C -0.165 175.946 176.094 0.029 0.000 1.045 46 V CA -0.303 62.098 62.300 0.169 0.000 0.976 46 V CB -0.193 31.761 31.823 0.218 0.000 0.993 46 V HN 0.794 nan 8.190 nan 0.000 0.475 47 N N 2.085 120.783 118.700 -0.004 0.000 2.455 47 N HA 0.738 5.473 4.740 -0.009 0.000 0.278 47 N C -0.756 174.589 175.510 -0.276 0.000 1.291 47 N CA -0.497 52.430 53.050 -0.204 0.000 0.780 47 N CB 2.590 40.848 38.487 -0.382 0.000 1.520 47 N HN 0.754 nan 8.380 nan 0.000 0.486 48 A N 0.906 123.502 122.820 -0.373 0.000 2.305 48 A HA 0.733 5.047 4.320 -0.009 0.000 0.322 48 A C -1.447 175.880 177.584 -0.429 0.000 1.187 48 A CA -0.267 51.621 52.037 -0.248 0.000 0.825 48 A CB 0.326 19.254 19.000 -0.119 0.000 1.164 48 A HN 0.620 nan 8.150 nan 0.000 0.498 49 Y N 0.387 120.711 120.300 0.040 0.000 2.605 49 Y HA 0.614 5.159 4.550 -0.009 0.000 0.343 49 Y C -0.118 175.801 175.900 0.032 0.000 1.036 49 Y CA -0.783 57.343 58.100 0.044 0.000 1.065 49 Y CB 2.031 40.535 38.460 0.072 0.000 1.288 49 Y HN 0.529 nan 8.280 nan 0.000 0.481 50 L N 1.617 122.978 121.223 0.230 0.000 2.334 50 L HA 0.472 4.806 4.340 -0.009 0.000 0.273 50 L C -1.519 175.449 176.870 0.163 0.000 1.013 50 L CA -1.032 53.894 54.840 0.143 0.000 0.816 50 L CB 1.900 44.016 42.059 0.095 0.000 1.278 50 L HN 0.607 nan 8.230 nan 0.000 0.431 51 Y N 2.490 122.765 120.300 -0.042 0.000 2.386 51 Y HA 0.267 4.812 4.550 -0.008 0.000 0.334 51 Y C -0.440 175.447 175.900 -0.022 0.000 1.002 51 Y CA -0.826 57.219 58.100 -0.092 0.000 1.068 51 Y CB 1.510 39.829 38.460 -0.235 0.000 1.203 51 Y HN 0.659 nan 8.280 nan 0.000 0.443 52 D N 3.235 123.323 120.400 -0.520 0.000 2.692 52 D HA 0.247 4.882 4.640 -0.009 0.000 0.290 52 D C 0.973 177.058 176.300 -0.358 0.000 1.455 52 D CA 0.379 54.260 54.000 -0.199 0.000 0.796 52 D CB 0.354 41.124 40.800 -0.050 0.000 1.131 52 D HN 1.005 nan 8.370 nan 0.000 0.467 53 G N -0.633 107.543 108.800 -1.041 0.000 2.195 53 G HA2 -0.147 3.808 3.960 -0.009 0.000 0.224 53 G HA3 -0.147 3.808 3.960 -0.009 0.000 0.224 53 G C 0.605 175.339 174.900 -0.277 0.000 0.990 53 G CA 0.102 44.935 45.100 -0.444 0.000 0.639 53 G HN 0.828 nan 8.290 nan 0.000 0.514 54 G N -0.637 107.959 108.800 -0.341 0.000 3.392 54 G HA2 0.579 4.533 3.960 -0.009 0.000 0.185 54 G HA3 0.579 4.533 3.960 -0.009 0.000 0.185 54 G C -0.502 174.377 174.900 -0.035 0.000 1.206 54 G CA -0.046 44.989 45.100 -0.109 0.000 0.776 54 G HN 0.256 nan 8.290 nan 0.000 0.697 55 E N 1.323 121.509 120.200 -0.022 0.000 2.349 55 E HA 0.336 4.681 4.350 -0.009 0.000 0.265 55 E C 0.318 176.931 176.600 0.022 0.000 1.064 55 E CA -0.129 56.276 56.400 0.009 0.000 0.886 55 E CB 1.069 30.772 29.700 0.005 0.000 1.036 55 E HN 0.532 nan 8.360 nan 0.000 0.413 56 T N -1.948 112.623 114.554 0.028 0.000 2.813 56 T HA 0.331 4.676 4.350 -0.009 0.000 0.297 56 T C 0.322 175.099 174.700 0.129 0.000 1.036 56 T CA -0.783 61.355 62.100 0.064 0.000 1.044 56 T CB 0.664 69.464 68.868 -0.113 0.000 0.993 56 T HN 0.128 nan 8.240 nan 0.000 0.535 57 V N 1.879 121.916 119.914 0.206 0.000 2.407 57 V HA 0.395 4.509 4.120 -0.009 0.000 0.291 57 V C 0.279 176.511 176.094 0.231 0.000 1.018 57 V CA -1.055 61.351 62.300 0.176 0.000 0.842 57 V CB 1.530 33.410 31.823 0.095 0.000 0.996 57 V HN 0.942 nan 8.190 nan 0.000 0.426 58 K N 3.591 124.100 120.400 0.182 0.000 2.383 58 K HA 0.343 4.657 4.320 -0.009 0.000 0.286 58 K C 0.443 177.003 176.600 -0.067 0.000 1.051 58 K CA -0.199 56.075 56.287 -0.023 0.000 0.974 58 K CB 0.791 33.285 32.500 -0.010 0.000 0.968 58 K HN 0.614 nan 8.250 nan 0.000 0.475 59 L N 3.082 124.224 121.223 -0.134 0.000 2.145 59 L HA -0.053 4.282 4.340 -0.009 0.000 0.201 59 L C 1.131 177.943 176.870 -0.096 0.000 1.075 59 L CA 0.208 54.999 54.840 -0.082 0.000 0.773 59 L CB -0.356 41.663 42.059 -0.067 0.000 0.936 59 L HN 0.710 nan 8.230 nan 0.000 0.451 60 N N 0.195 118.807 118.700 -0.147 0.000 2.408 60 N HA 0.130 4.865 4.740 -0.009 0.000 0.260 60 N C 0.316 175.747 175.510 -0.133 0.000 1.242 60 N CA -0.334 52.632 53.050 -0.140 0.000 0.959 60 N CB 1.258 39.650 38.487 -0.158 0.000 1.201 60 N HN 0.053 nan 8.380 nan 0.000 0.511 61 R N -0.416 120.001 120.500 -0.138 0.000 1.864 61 R HA 0.165 4.500 4.340 -0.009 0.000 0.174 61 R C 0.020 176.247 176.300 -0.121 0.000 1.773 61 R CA -0.118 55.911 56.100 -0.118 0.000 1.381 61 R CB -0.373 29.858 30.300 -0.116 0.000 1.066 61 R HN 0.602 nan 8.270 nan 0.000 0.482 62 E N 2.023 122.138 120.200 -0.141 0.000 2.392 62 E HA 0.167 4.511 4.350 -0.009 0.000 0.259 62 E C -2.248 174.280 176.600 -0.119 0.000 1.108 62 E CA -2.011 54.316 56.400 -0.122 0.000 0.916 62 E CB -0.130 29.493 29.700 -0.128 0.000 0.989 62 E HN 0.042 nan 8.360 nan 0.000 0.432 63 P HA -0.066 nan 4.420 nan 0.000 0.266 63 P C -0.361 176.912 177.300 -0.046 0.000 1.186 63 P CA 0.386 63.451 63.100 -0.058 0.000 0.767 63 P CB 0.308 31.989 31.700 -0.031 0.000 0.820 64 I N -0.603 119.954 120.570 -0.022 0.000 3.436 64 I HA 0.516 4.681 4.170 -0.009 0.000 0.300 64 I C 0.529 176.679 176.117 0.055 0.000 1.131 64 I CA -0.430 60.876 61.300 0.010 0.000 1.001 64 I CB 1.131 39.123 38.000 -0.012 0.000 1.305 64 I HN 0.054 nan 8.210 nan 0.000 0.494 65 N N -0.922 117.825 118.700 0.077 0.000 2.516 65 N HA 0.272 5.006 4.740 -0.009 0.000 0.197 65 N C -0.417 175.121 175.510 0.046 0.000 1.064 65 N CA 0.680 53.782 53.050 0.087 0.000 0.866 65 N CB 0.525 39.101 38.487 0.149 0.000 1.255 65 N HN 0.907 nan 8.380 nan 0.000 0.447 66 S N -1.154 114.562 115.700 0.026 0.000 2.683 66 S HA 0.581 5.046 4.470 -0.009 0.000 0.269 66 S C -1.405 173.201 174.600 0.009 0.000 1.165 66 S CA -0.872 57.335 58.200 0.012 0.000 0.840 66 S CB 0.835 64.038 63.200 0.004 0.000 1.169 66 S HN 0.042 nan 8.310 nan 0.000 0.490 67 V N -0.864 119.057 119.914 0.012 0.000 2.914 67 V HA 0.737 4.851 4.120 -0.009 0.000 0.314 67 V C -0.440 175.669 176.094 0.025 0.000 1.084 67 V CA -1.255 61.054 62.300 0.014 0.000 0.963 67 V CB 1.112 32.942 31.823 0.013 0.000 1.025 67 V HN 0.994 nan 8.190 nan 0.000 0.432 68 L N 1.637 122.876 121.223 0.028 0.000 2.452 68 L HA 0.363 4.698 4.340 -0.009 0.000 0.267 68 L C -0.035 176.873 176.870 0.063 0.000 1.188 68 L CA -0.348 54.523 54.840 0.053 0.000 0.821 68 L CB 0.225 42.312 42.059 0.047 0.000 1.102 68 L HN 0.664 nan 8.230 nan 0.000 0.470 69 D N 2.914 123.370 120.400 0.094 0.000 2.382 69 D HA 0.165 4.800 4.640 -0.009 0.000 0.259 69 D C -2.237 174.130 176.300 0.111 0.000 1.224 69 D CA -0.917 53.147 54.000 0.107 0.000 0.894 69 D CB 0.544 41.439 40.800 0.159 0.000 1.127 69 D HN 0.212 nan 8.370 nan 0.000 0.487 70 P HA 0.176 nan 4.420 nan 0.000 0.284 70 P C -0.158 177.261 177.300 0.199 0.000 1.253 70 P CA -0.313 62.844 63.100 0.095 0.000 0.800 70 P CB 0.850 32.575 31.700 0.042 0.000 0.961 71 H N 0.530 119.650 119.070 0.084 0.000 2.745 71 H HA 0.067 4.617 4.556 -0.009 0.000 0.373 71 H C 0.056 175.462 175.328 0.129 0.000 1.226 71 H CA -0.253 55.880 56.048 0.142 0.000 1.435 71 H CB 0.257 30.106 29.762 0.146 0.000 1.461 71 H HN 0.382 nan 8.280 nan 0.000 0.616 72 Y N -0.063 120.334 120.300 0.161 0.000 2.610 72 Y HA -0.025 4.520 4.550 -0.009 0.000 0.332 72 Y C 1.584 177.555 175.900 0.117 0.000 1.201 72 Y CA 1.271 59.442 58.100 0.119 0.000 1.465 72 Y CB 0.381 38.889 38.460 0.081 0.000 1.283 72 Y HN 0.995 nan 8.280 nan 0.000 0.563 73 G N 1.893 110.812 108.800 0.198 0.000 2.212 73 G HA2 -0.293 3.661 3.960 -0.009 0.000 0.267 73 G HA3 -0.293 3.661 3.960 -0.009 0.000 0.267 73 G C 0.033 175.004 174.900 0.119 0.000 1.002 73 G CA 0.270 45.460 45.100 0.150 0.000 0.729 73 G HN 0.553 nan 8.290 nan 0.000 0.517 74 V N -0.174 119.811 119.914 0.117 0.000 2.872 74 V HA 0.434 4.549 4.120 -0.009 0.000 0.307 74 V C 1.717 177.852 176.094 0.067 0.000 1.072 74 V CA 1.152 63.508 62.300 0.093 0.000 1.148 74 V CB 1.531 33.409 31.823 0.093 0.000 0.954 74 V HN 0.608 nan 8.190 nan 0.000 0.490 75 G N 4.331 113.164 108.800 0.056 0.000 3.518 75 G HA2 0.354 4.308 3.960 -0.009 0.000 0.273 75 G HA3 0.354 4.308 3.960 -0.009 0.000 0.273 75 G C 0.322 175.244 174.900 0.038 0.000 1.199 75 G CA -0.281 44.847 45.100 0.047 0.000 0.899 75 G HN 0.778 nan 8.290 nan 0.000 0.533 76 R N -2.334 118.188 120.500 0.037 0.000 2.766 76 R HA 0.743 5.078 4.340 -0.009 0.000 0.270 76 R C -2.281 174.036 176.300 0.028 0.000 1.035 76 R CA -0.739 55.379 56.100 0.030 0.000 0.911 76 R CB 1.419 31.735 30.300 0.028 0.000 1.243 76 R HN -0.108 nan 8.270 nan 0.000 0.460 77 V N 1.783 121.712 119.914 0.025 0.000 2.733 77 V HA 0.415 4.530 4.120 -0.009 0.000 0.306 77 V C -0.841 175.267 176.094 0.024 0.000 1.084 77 V CA -0.910 61.403 62.300 0.022 0.000 0.905 77 V CB 2.164 33.996 31.823 0.015 0.000 1.010 77 V HN 0.568 nan 8.190 nan 0.000 0.424 78 I N 5.759 126.341 120.570 0.020 0.000 2.306 78 I HA 0.373 4.538 4.170 -0.009 0.000 0.288 78 I C 0.036 176.168 176.117 0.026 0.000 1.036 78 I CA -0.197 61.113 61.300 0.017 0.000 1.221 78 I CB 1.087 39.081 38.000 -0.010 0.000 1.385 78 I HN 0.406 nan 8.210 nan 0.000 0.472 79 L N 6.402 127.663 121.223 0.063 0.000 2.397 79 L HA 0.375 4.709 4.340 -0.009 0.000 0.271 79 L C 0.040 176.974 176.870 0.106 0.000 1.148 79 L CA -0.625 54.262 54.840 0.078 0.000 0.825 79 L CB 0.883 42.998 42.059 0.092 0.000 1.117 79 L HN 0.206 nan 8.230 nan 0.000 0.456 80 V N 3.736 123.690 119.914 0.067 0.000 2.347 80 V HA 0.451 4.566 4.120 -0.009 0.000 0.280 80 V C 0.030 176.213 176.094 0.148 0.000 1.021 80 V CA -0.548 61.788 62.300 0.059 0.000 0.847 80 V CB 1.239 33.018 31.823 -0.073 0.000 0.990 80 V HN 0.703 nan 8.190 nan 0.000 0.444 81 R N 2.973 123.637 120.500 0.274 0.000 2.513 81 R HA 0.298 4.633 4.340 -0.009 0.000 0.301 81 R C -0.768 175.719 176.300 0.312 0.000 0.968 81 R CA -0.708 55.557 56.100 0.274 0.000 0.872 81 R CB 1.420 31.841 30.300 0.202 0.000 1.177 81 R HN 0.755 nan 8.270 nan 0.000 0.444 82 D N 3.748 124.307 120.400 0.265 0.000 2.520 82 D HA -0.028 4.607 4.640 -0.009 0.000 0.243 82 D C 0.589 176.930 176.300 0.068 0.000 1.160 82 D CA 0.417 54.456 54.000 0.066 0.000 0.877 82 D CB 1.067 41.882 40.800 0.023 0.000 1.150 82 D HN 0.393 nan 8.370 nan 0.000 0.494 83 V N 1.573 121.514 119.914 0.046 0.000 2.982 83 V HA 0.249 4.363 4.120 -0.009 0.000 0.368 83 V C 0.681 176.785 176.094 0.016 0.000 1.350 83 V CA 0.200 62.535 62.300 0.058 0.000 1.251 83 V CB -0.238 31.646 31.823 0.101 0.000 1.284 83 V HN 0.467 nan 8.190 nan 0.000 0.533 84 S N -1.007 114.687 115.700 -0.010 0.000 3.031 84 S HA 0.321 4.786 4.470 -0.009 0.000 0.253 84 S C 0.429 175.023 174.600 -0.010 0.000 0.996 84 S CA -0.346 57.844 58.200 -0.017 0.000 1.098 84 S CB -0.249 62.928 63.200 -0.039 0.000 1.042 84 S HN 0.561 nan 8.310 nan 0.000 0.593 85 K N 0.944 121.344 120.400 -0.000 0.000 3.035 85 K HA -0.206 4.109 4.320 -0.009 0.000 0.262 85 K C 0.927 177.533 176.600 0.010 0.000 1.024 85 K CA 0.574 56.865 56.287 0.007 0.000 0.748 85 K CB -2.184 30.321 32.500 0.009 0.000 1.247 85 K HN 1.226 nan 8.250 nan 0.000 0.482 86 G N -1.617 107.185 108.800 0.004 0.000 2.211 86 G HA2 -0.214 3.740 3.960 -0.009 0.000 0.201 86 G HA3 -0.214 3.740 3.960 -0.009 0.000 0.201 86 G C 0.689 175.591 174.900 0.003 0.000 0.997 86 G CA 0.250 45.360 45.100 0.017 0.000 0.652 86 G HN 0.663 nan 8.290 nan 0.000 0.500 87 A N 0.463 123.268 122.820 -0.025 0.000 2.238 87 A HA 0.521 4.836 4.320 -0.009 0.000 0.208 87 A C 1.268 178.807 177.584 -0.075 0.000 1.177 87 A CA 1.735 53.751 52.037 -0.035 0.000 0.804 87 A CB -0.463 18.518 19.000 -0.032 0.000 0.823 87 A HN 1.246 nan 8.150 nan 0.000 0.482 88 E N -0.697 119.407 120.200 -0.160 0.000 2.694 88 E HA -0.152 4.192 4.350 -0.009 0.000 0.272 88 E C -0.887 175.428 176.600 -0.475 0.000 1.040 88 E CA 0.391 56.552 56.400 -0.398 0.000 0.809 88 E CB -1.402 28.257 29.700 -0.068 0.000 1.389 88 E HN 0.674 nan 8.360 nan 0.000 0.413 89 Q N 0.907 120.528 119.800 -0.298 0.000 2.389 89 Q HA 0.191 4.526 4.340 -0.009 0.000 0.244 89 Q C -0.287 175.589 176.000 -0.206 0.000 1.056 89 Q CA 0.396 56.091 55.803 -0.180 0.000 0.908 89 Q CB 0.264 28.958 28.738 -0.073 0.000 1.273 89 Q HN 0.321 nan 8.270 nan 0.000 0.471 90 H N 0.152 119.241 119.070 0.033 0.000 2.482 90 H HA 0.622 5.172 4.556 -0.009 0.000 0.344 90 H C -0.238 175.071 175.328 -0.032 0.000 1.151 90 H CA -0.436 55.628 56.048 0.026 0.000 1.300 90 H CB 1.226 31.005 29.762 0.029 0.000 1.494 90 H HN 0.659 nan 8.280 nan 0.000 0.542 91 A N 2.343 125.219 122.820 0.093 0.000 2.354 91 A HA 0.638 4.953 4.320 -0.009 0.000 0.321 91 A C -1.018 176.428 177.584 -0.229 0.000 1.125 91 A CA -0.839 51.116 52.037 -0.137 0.000 0.799 91 A CB 0.895 19.747 19.000 -0.245 0.000 1.293 91 A HN 0.605 nan 8.150 nan 0.000 0.452 92 L N 0.782 121.741 121.223 -0.439 0.000 2.307 92 L HA 0.607 4.942 4.340 -0.009 0.000 0.284 92 L C -1.375 175.169 176.870 -0.544 0.000 1.023 92 L CA -0.160 54.469 54.840 -0.352 0.000 0.810 92 L CB 1.110 42.968 42.059 -0.335 0.000 1.231 92 L HN 0.610 nan 8.230 nan 0.000 0.423 93 F N 1.674 121.588 119.950 -0.061 0.000 2.507 93 F HA 0.448 4.969 4.527 -0.009 0.000 0.325 93 F C 0.104 175.880 175.800 -0.040 0.000 1.116 93 F CA -0.850 57.124 58.000 -0.043 0.000 0.930 93 F CB 1.824 40.804 39.000 -0.033 0.000 1.146 93 F HN 0.342 nan 8.300 nan 0.000 0.447 94 K N 2.600 123.069 120.400 0.115 0.000 2.156 94 K HA 0.783 5.098 4.320 -0.009 0.000 0.271 94 K C -1.793 174.848 176.600 0.069 0.000 0.995 94 K CA -0.494 55.831 56.287 0.064 0.000 0.890 94 K CB 1.680 34.196 32.500 0.025 0.000 1.073 94 K HN 0.524 nan 8.250 nan 0.000 0.454 95 V N 3.649 123.591 119.914 0.046 0.000 2.443 95 V HA 0.140 4.255 4.120 -0.009 0.000 0.293 95 V C -0.695 175.414 176.094 0.025 0.000 1.021 95 V CA -1.095 61.224 62.300 0.032 0.000 0.848 95 V CB 1.270 33.104 31.823 0.017 0.000 0.998 95 V HN 0.937 nan 8.190 nan 0.000 0.424 96 N N 3.057 121.771 118.700 0.024 0.000 2.497 96 N HA 0.062 4.796 4.740 -0.009 0.000 0.268 96 N C 1.404 176.927 175.510 0.021 0.000 1.171 96 N CA 0.658 53.722 53.050 0.023 0.000 0.948 96 N CB 1.686 40.187 38.487 0.022 0.000 1.069 96 N HN 0.789 nan 8.380 nan 0.000 0.460 97 T N -0.121 114.448 114.554 0.025 0.000 3.035 97 T HA -0.053 4.292 4.350 -0.009 0.000 0.268 97 T C 1.574 176.290 174.700 0.025 0.000 1.109 97 T CA 0.969 63.085 62.100 0.026 0.000 1.119 97 T CB -0.208 68.680 68.868 0.033 0.000 0.900 97 T HN 0.343 nan 8.240 nan 0.000 0.503 98 S N 1.322 117.036 115.700 0.023 0.000 2.387 98 S HA 0.091 4.556 4.470 -0.009 0.000 0.226 98 S C 1.082 175.692 174.600 0.017 0.000 1.026 98 S CA 0.454 58.666 58.200 0.020 0.000 0.972 98 S CB -0.031 63.181 63.200 0.020 0.000 0.814 98 S HN 0.422 nan 8.310 nan 0.000 0.477 99 R N 2.124 122.634 120.500 0.015 0.000 2.790 99 R HA 0.295 4.630 4.340 -0.009 0.000 0.274 99 R C -3.048 173.258 176.300 0.009 0.000 1.334 99 R CA -2.079 54.028 56.100 0.012 0.000 1.543 99 R CB 0.065 30.372 30.300 0.011 0.000 1.154 99 R HN 0.274 nan 8.270 nan 0.000 0.601 100 P HA 0.100 nan 4.420 nan 0.000 0.271 100 P C 0.729 178.025 177.300 -0.007 0.000 1.226 100 P CA 0.572 63.673 63.100 0.001 0.000 0.765 100 P CB 1.064 32.770 31.700 0.009 0.000 0.835 101 G N 2.505 111.293 108.800 -0.020 0.000 2.211 101 G HA2 -0.165 3.789 3.960 -0.009 0.000 0.201 101 G HA3 -0.165 3.789 3.960 -0.009 0.000 0.201 101 G C -0.154 174.730 174.900 -0.027 0.000 0.997 101 G CA -0.438 44.645 45.100 -0.029 0.000 0.652 101 G HN 0.536 nan 8.290 nan 0.000 0.500 102 E N 1.025 121.217 120.200 -0.013 0.000 2.133 102 E HA 0.531 4.875 4.350 -0.009 0.000 0.274 102 E C -0.409 176.195 176.600 0.006 0.000 0.930 102 E CA -0.323 56.075 56.400 -0.004 0.000 0.770 102 E CB 1.068 30.771 29.700 0.006 0.000 1.104 102 E HN 0.488 nan 8.360 nan 0.000 0.403 103 E N 2.480 122.687 120.200 0.012 0.000 2.212 103 E HA 0.271 4.615 4.350 -0.009 0.000 0.268 103 E C -0.858 175.808 176.600 0.109 0.000 0.902 103 E CA -0.737 55.696 56.400 0.055 0.000 0.779 103 E CB 2.155 31.854 29.700 -0.001 0.000 1.172 103 E HN 0.269 nan 8.360 nan 0.000 0.409 104 Q N 2.463 122.351 119.800 0.147 0.000 2.309 104 Q HA 0.257 4.592 4.340 -0.009 0.000 0.270 104 Q C -1.046 175.031 176.000 0.128 0.000 1.023 104 Q CA -0.715 55.161 55.803 0.122 0.000 0.758 104 Q CB 1.558 30.331 28.738 0.058 0.000 1.247 104 Q HN 0.387 nan 8.270 nan 0.000 0.455 105 R N 3.659 124.226 120.500 0.113 0.000 2.491 105 R HA 0.184 4.519 4.340 -0.009 0.000 0.283 105 R C -0.674 175.513 176.300 -0.188 0.000 1.072 105 R CA -0.046 55.948 56.100 -0.178 0.000 1.048 105 R CB 0.433 30.649 30.300 -0.141 0.000 0.983 105 R HN 0.604 nan 8.270 nan 0.000 0.450 106 L N 5.657 126.704 121.223 -0.292 0.000 2.358 106 L HA 0.137 4.472 4.340 -0.009 0.000 0.274 106 L C 0.957 177.718 176.870 -0.182 0.000 1.136 106 L CA -0.339 54.386 54.840 -0.191 0.000 0.970 106 L CB 0.919 42.864 42.059 -0.191 0.000 1.314 106 L HN 0.717 nan 8.230 nan 0.000 0.427 107 E N 1.986 122.112 120.200 -0.123 0.000 2.265 107 E HA -0.182 4.163 4.350 -0.009 0.000 0.196 107 E C 2.038 178.592 176.600 -0.077 0.000 0.996 107 E CA 1.137 57.478 56.400 -0.097 0.000 0.832 107 E CB 0.235 29.900 29.700 -0.058 0.000 0.756 107 E HN 0.778 nan 8.360 nan 0.000 0.491 108 A N 1.240 124.022 122.820 -0.063 0.000 1.972 108 A HA -0.068 4.247 4.320 -0.009 0.000 0.219 108 A C 1.527 179.081 177.584 -0.050 0.000 1.169 108 A CA 0.588 52.602 52.037 -0.039 0.000 0.635 108 A CB -0.016 18.974 19.000 -0.016 0.000 0.810 108 A HN 0.059 nan 8.150 nan 0.000 0.446 109 V N 2.890 122.752 119.914 -0.086 0.000 2.353 109 V HA 0.134 4.249 4.120 -0.009 0.000 0.264 109 V C 0.547 176.565 176.094 -0.127 0.000 1.049 109 V CA -0.773 61.459 62.300 -0.113 0.000 0.896 109 V CB 0.466 32.179 31.823 -0.184 0.000 1.025 109 V HN 0.602 nan 8.190 nan 0.000 0.475 110 K N 5.962 126.305 120.400 -0.096 0.000 2.319 110 K HA 0.269 4.584 4.320 -0.009 0.000 0.265 110 K C -2.572 173.985 176.600 -0.073 0.000 1.000 110 K CA -1.368 54.874 56.287 -0.075 0.000 0.943 110 K CB 0.285 32.756 32.500 -0.048 0.000 0.950 110 K HN 0.276 nan 8.250 nan 0.000 0.485 111 P HA -0.068 nan 4.420 nan 0.000 0.261 111 P C -0.746 176.549 177.300 -0.009 0.000 1.183 111 P CA 0.622 63.703 63.100 -0.032 0.000 0.761 111 P CB 0.286 31.972 31.700 -0.023 0.000 0.785 112 M N 0.306 119.920 119.600 0.023 0.000 2.721 112 M HA 0.477 4.952 4.480 -0.009 0.000 0.271 112 M C -0.657 175.733 176.300 0.151 0.000 1.259 112 M CA -1.276 54.063 55.300 0.066 0.000 0.835 112 M CB 2.326 34.969 32.600 0.072 0.000 1.689 112 M HN -0.103 nan 8.290 nan 0.000 0.470 113 R N 2.022 122.627 120.500 0.175 0.000 2.345 113 R HA 0.314 4.649 4.340 -0.009 0.000 0.331 113 R C -1.046 175.445 176.300 0.317 0.000 1.067 113 R CA -0.245 56.041 56.100 0.310 0.000 0.962 113 R CB 0.118 30.561 30.300 0.239 0.000 0.987 113 R HN 0.644 nan 8.270 nan 0.000 0.451 114 I N 7.537 128.325 120.570 0.363 0.000 2.396 114 I HA -0.030 4.135 4.170 -0.009 0.000 0.289 114 I C 1.198 177.371 176.117 0.093 0.000 1.056 114 I CA 0.118 61.498 61.300 0.132 0.000 1.365 114 I CB 1.264 39.222 38.000 -0.070 0.000 1.407 114 I HN 0.760 nan 8.210 nan 0.000 0.509 115 L N 4.873 126.201 121.223 0.175 0.000 2.357 115 L HA 0.095 4.430 4.340 -0.009 0.000 0.211 115 L C 0.794 177.843 176.870 0.297 0.000 1.075 115 L CA 0.376 55.341 54.840 0.209 0.000 0.830 115 L CB -0.077 42.020 42.059 0.064 0.000 0.996 115 L HN 0.802 nan 8.230 nan 0.000 0.467 116 S N -1.437 114.426 115.700 0.272 0.000 2.656 116 S HA 0.765 5.230 4.470 -0.009 0.000 0.265 116 S C -0.712 174.060 174.600 0.286 0.000 1.132 116 S CA -0.159 58.225 58.200 0.306 0.000 0.819 116 S CB 1.721 65.186 63.200 0.443 0.000 1.119 116 S HN 0.164 nan 8.310 nan 0.000 0.476 117 G N -0.567 108.386 108.800 0.255 0.000 2.377 117 G HA2 0.523 4.478 3.960 -0.009 0.000 0.297 117 G HA3 0.523 4.478 3.960 -0.009 0.000 0.297 117 G C -2.085 172.930 174.900 0.191 0.000 1.547 117 G CA -0.127 45.126 45.100 0.255 0.000 0.833 117 G HN 1.378 nan 8.290 nan 0.000 0.583 118 V N 0.699 120.719 119.914 0.177 0.000 2.735 118 V HA 0.641 4.756 4.120 -0.009 0.000 0.310 118 V C -1.149 174.978 176.094 0.055 0.000 1.061 118 V CA -0.713 61.660 62.300 0.121 0.000 0.913 118 V CB 2.085 33.989 31.823 0.134 0.000 1.005 118 V HN 0.821 nan 8.190 nan 0.000 0.428 119 D N 2.111 122.512 120.400 0.002 0.000 2.349 119 D HA 0.328 4.962 4.640 -0.009 0.000 0.232 119 D C 1.027 177.204 176.300 -0.204 0.000 1.071 119 D CA 0.006 53.978 54.000 -0.046 0.000 0.832 119 D CB 2.108 42.909 40.800 0.000 0.000 1.086 119 D HN 0.701 nan 8.370 nan 0.000 0.504 120 T N 0.614 115.012 114.554 -0.261 0.000 3.100 120 T HA 0.313 4.658 4.350 -0.009 0.000 0.253 120 T C 1.447 176.089 174.700 -0.095 0.000 1.118 120 T CA 0.702 62.570 62.100 -0.387 0.000 1.058 120 T CB 0.198 68.910 68.868 -0.260 0.000 0.953 120 T HN 0.605 nan 8.240 nan 0.000 0.515 121 G N 1.195 109.972 108.800 -0.038 0.000 2.308 121 G HA2 -0.249 3.705 3.960 -0.009 0.000 0.221 121 G HA3 -0.249 3.705 3.960 -0.009 0.000 0.221 121 G C 0.801 175.712 174.900 0.017 0.000 1.032 121 G CA 0.336 45.444 45.100 0.013 0.000 0.623 121 G HN 0.516 nan 8.290 nan 0.000 0.506 122 E N 0.432 120.639 120.200 0.013 0.000 2.389 122 E HA 0.636 4.981 4.350 -0.009 0.000 0.199 122 E C 0.861 177.475 176.600 0.022 0.000 0.978 122 E CA 1.059 57.471 56.400 0.021 0.000 0.912 122 E CB 0.942 30.658 29.700 0.026 0.000 0.907 122 E HN 1.153 nan 8.360 nan 0.000 0.494 123 A N 0.251 123.079 122.820 0.014 0.000 2.427 123 A HA 0.566 4.880 4.320 -0.009 0.000 0.298 123 A C -1.185 176.425 177.584 0.043 0.000 1.036 123 A CA -0.662 51.396 52.037 0.034 0.000 0.701 123 A CB 1.534 20.556 19.000 0.036 0.000 1.250 123 A HN -0.043 nan 8.150 nan 0.000 0.412 124 V N 3.086 123.056 119.914 0.093 0.000 2.318 124 V HA 0.378 4.492 4.120 -0.009 0.000 0.271 124 V C -0.193 176.072 176.094 0.284 0.000 1.030 124 V CA -0.371 62.018 62.300 0.148 0.000 0.844 124 V CB 0.936 32.833 31.823 0.123 0.000 1.015 124 V HN 0.624 nan 8.190 nan 0.000 0.460 125 V N 7.037 127.098 119.914 0.245 0.000 2.435 125 V HA 0.706 4.821 4.120 -0.009 0.000 0.290 125 V C -0.321 175.987 176.094 0.358 0.000 1.030 125 V CA -0.453 61.987 62.300 0.233 0.000 0.881 125 V CB 1.193 33.093 31.823 0.128 0.000 0.983 125 V HN 0.808 nan 8.190 nan 0.000 0.445 126 F N 1.235 121.278 119.950 0.155 0.000 2.686 126 F HA 0.841 5.363 4.527 -0.009 0.000 0.311 126 F C -0.288 175.639 175.800 0.211 0.000 1.128 126 F CA -0.904 57.196 58.000 0.167 0.000 0.946 126 F CB 1.679 40.755 39.000 0.128 0.000 1.336 126 F HN 0.422 nan 8.300 nan 0.000 0.457 127 T N -0.810 113.932 114.554 0.314 0.000 2.855 127 T HA 0.870 5.215 4.350 -0.009 0.000 0.281 127 T C -0.342 174.551 174.700 0.322 0.000 1.007 127 T CA -0.469 61.743 62.100 0.186 0.000 1.009 127 T CB 1.430 70.348 68.868 0.082 0.000 0.983 127 T HN 1.365 nan 8.240 nan 0.000 0.455 128 G N -0.023 108.956 108.800 0.299 0.000 2.733 128 G HA2 0.692 4.647 3.960 -0.009 0.000 0.297 128 G HA3 0.692 4.647 3.960 -0.009 0.000 0.297 128 G C -1.397 173.620 174.900 0.196 0.000 1.422 128 G CA -0.813 44.486 45.100 0.332 0.000 0.942 128 G HN 1.050 nan 8.290 nan 0.000 0.510 129 A N 0.993 123.880 122.820 0.113 0.000 2.330 129 A HA 0.937 5.252 4.320 -0.009 0.000 0.327 129 A C 0.472 178.093 177.584 0.062 0.000 1.155 129 A CA 0.004 52.055 52.037 0.024 0.000 0.803 129 A CB 1.284 20.233 19.000 -0.085 0.000 1.208 129 A HN 1.524 nan 8.150 nan 0.000 0.477 130 T N -1.494 113.086 114.554 0.044 0.000 2.841 130 T HA 0.450 4.795 4.350 -0.009 0.000 0.276 130 T C 0.830 175.536 174.700 0.009 0.000 1.003 130 T CA -0.301 61.822 62.100 0.038 0.000 0.995 130 T CB 0.974 69.873 68.868 0.052 0.000 1.260 130 T HN 0.480 nan 8.240 nan 0.000 0.581 131 E N 0.973 121.177 120.200 0.007 0.000 2.085 131 E HA -0.189 4.156 4.350 -0.009 0.000 0.194 131 E C 1.566 178.156 176.600 -0.017 0.000 0.994 131 E CA 2.098 58.495 56.400 -0.006 0.000 0.801 131 E CB -0.302 29.396 29.700 -0.003 0.000 0.743 131 E HN 0.820 nan 8.360 nan 0.000 0.453 132 D N -0.252 120.142 120.400 -0.011 0.000 2.271 132 D HA -0.078 4.557 4.640 -0.009 0.000 0.206 132 D C 0.907 177.187 176.300 -0.033 0.000 0.967 132 D CA 0.360 54.349 54.000 -0.018 0.000 0.867 132 D CB 0.068 40.862 40.800 -0.009 0.000 0.960 132 D HN 0.196 nan 8.370 nan 0.000 0.509 133 R N -1.402 119.077 120.500 -0.035 0.000 2.712 133 R HA 0.557 4.892 4.340 -0.009 0.000 0.272 133 R C -1.942 174.314 176.300 -0.073 0.000 1.032 133 R CA -0.979 55.083 56.100 -0.064 0.000 0.874 133 R CB 1.028 31.285 30.300 -0.071 0.000 1.256 133 R HN -0.162 nan 8.270 nan 0.000 0.468 134 V N 0.694 120.533 119.914 -0.125 0.000 2.472 134 V HA 0.879 4.994 4.120 -0.009 0.000 0.290 134 V C -0.123 175.854 176.094 -0.194 0.000 1.037 134 V CA -0.059 62.154 62.300 -0.146 0.000 0.908 134 V CB 1.133 32.837 31.823 -0.199 0.000 0.985 134 V HN 0.999 nan 8.190 nan 0.000 0.454 135 A N 3.980 126.664 122.820 -0.226 0.000 2.609 135 A HA 0.860 5.175 4.320 -0.009 0.000 0.291 135 A C -1.698 175.550 177.584 -0.561 0.000 1.096 135 A CA -0.608 51.158 52.037 -0.451 0.000 0.684 135 A CB 1.669 20.286 19.000 -0.638 0.000 1.282 135 A HN 0.841 nan 8.150 nan 0.000 0.412 136 L N 0.829 121.689 121.223 -0.604 0.000 2.296 136 L HA 0.785 5.120 4.340 -0.009 0.000 0.286 136 L C -1.552 174.921 176.870 -0.663 0.000 1.023 136 L CA -0.129 54.430 54.840 -0.469 0.000 0.812 136 L CB 0.635 42.549 42.059 -0.241 0.000 1.223 136 L HN 0.626 nan 8.230 nan 0.000 0.421 137 Y N 3.377 123.379 120.300 -0.496 0.000 2.562 137 Y HA 0.829 5.374 4.550 -0.009 0.000 0.343 137 Y C 0.034 175.675 175.900 -0.433 0.000 1.025 137 Y CA -0.744 57.000 58.100 -0.594 0.000 1.082 137 Y CB 2.182 39.945 38.460 -1.161 0.000 1.264 137 Y HN 0.704 nan 8.280 nan 0.000 0.478 138 A N 2.263 125.062 122.820 -0.034 0.000 2.359 138 A HA 0.692 5.007 4.320 -0.009 0.000 0.303 138 A C -2.158 175.498 177.584 0.120 0.000 1.066 138 A CA -0.561 51.505 52.037 0.048 0.000 0.730 138 A CB 1.131 20.152 19.000 0.034 0.000 1.211 138 A HN 0.638 nan 8.150 nan 0.000 0.439 139 L N 3.463 124.796 121.223 0.183 0.000 2.318 139 L HA 0.669 5.003 4.340 -0.009 0.000 0.277 139 L C -0.707 176.220 176.870 0.096 0.000 1.008 139 L CA -0.235 54.697 54.840 0.153 0.000 0.846 139 L CB 0.920 43.098 42.059 0.199 0.000 1.220 139 L HN 0.850 nan 8.230 nan 0.000 0.423 140 D N 2.388 122.828 120.400 0.066 0.000 2.723 140 D HA 0.446 5.081 4.640 -0.009 0.000 0.247 140 D C 1.026 177.347 176.300 0.035 0.000 1.134 140 D CA -0.077 53.951 54.000 0.046 0.000 1.099 140 D CB 0.298 41.122 40.800 0.040 0.000 1.287 140 D HN 0.334 nan 8.370 nan 0.000 0.634 141 G N -1.809 107.008 108.800 0.028 0.000 2.598 141 G HA2 0.176 4.130 3.960 -0.009 0.000 0.215 141 G HA3 0.176 4.130 3.960 -0.009 0.000 0.215 141 G C 0.972 175.884 174.900 0.020 0.000 1.131 141 G CA 0.322 45.435 45.100 0.022 0.000 0.785 141 G HN 0.607 nan 8.290 nan 0.000 0.539 142 G N -0.533 108.280 108.800 0.023 0.000 3.707 142 G HA2 0.533 4.488 3.960 -0.009 0.000 0.286 142 G HA3 0.533 4.488 3.960 -0.009 0.000 0.286 142 G C 0.675 175.589 174.900 0.023 0.000 1.112 142 G CA 0.415 45.527 45.100 0.021 0.000 0.861 142 G HN 1.075 nan 8.290 nan 0.000 0.534 143 G N -0.474 108.342 108.800 0.027 0.000 2.526 143 G HA2 0.130 4.084 3.960 -0.009 0.000 0.250 143 G HA3 0.130 4.084 3.960 -0.009 0.000 0.250 143 G C -0.946 173.981 174.900 0.046 0.000 1.289 143 G CA -0.341 44.777 45.100 0.030 0.000 0.947 143 G HN 0.973 nan 8.290 nan 0.000 0.517 144 L N 0.336 121.590 121.223 0.051 0.000 2.309 144 L HA 0.926 5.260 4.340 -0.009 0.000 0.282 144 L C 0.428 177.344 176.870 0.077 0.000 1.036 144 L CA -0.632 54.255 54.840 0.078 0.000 0.806 144 L CB 1.266 43.370 42.059 0.076 0.000 1.220 144 L HN 0.743 nan 8.230 nan 0.000 0.429 145 R N 3.065 123.619 120.500 0.090 0.000 2.686 145 R HA 0.381 4.715 4.340 -0.009 0.000 0.283 145 R C -1.217 175.132 176.300 0.080 0.000 0.978 145 R CA -0.795 55.345 56.100 0.068 0.000 0.897 145 R CB 1.859 32.176 30.300 0.030 0.000 1.192 145 R HN 0.649 nan 8.270 nan 0.000 0.457 146 E N 3.420 123.642 120.200 0.038 0.000 2.129 146 E HA 0.065 4.410 4.350 -0.009 0.000 0.283 146 E C 0.240 176.750 176.600 -0.149 0.000 1.080 146 E CA -0.146 56.184 56.400 -0.116 0.000 0.867 146 E CB 0.590 30.222 29.700 -0.113 0.000 1.056 146 E HN 0.570 nan 8.360 nan 0.000 0.404 147 L N 3.432 124.534 121.223 -0.202 0.000 2.095 147 L HA 0.240 4.575 4.340 -0.009 0.000 0.204 147 L C 0.783 177.559 176.870 -0.156 0.000 1.080 147 L CA 0.718 55.474 54.840 -0.140 0.000 0.759 147 L CB -0.110 41.881 42.059 -0.113 0.000 0.914 147 L HN 0.603 nan 8.230 nan 0.000 0.439 148 A N -0.471 122.208 122.820 -0.235 0.000 2.599 148 A HA 0.582 4.897 4.320 -0.009 0.000 0.294 148 A C -1.140 176.264 177.584 -0.300 0.000 1.055 148 A CA -0.773 51.127 52.037 -0.227 0.000 0.683 148 A CB 1.039 19.924 19.000 -0.192 0.000 1.278 148 A HN 0.057 nan 8.150 nan 0.000 0.412 149 R N 0.865 121.206 120.500 -0.266 0.000 2.428 149 R HA 0.698 5.032 4.340 -0.009 0.000 0.294 149 R C -0.961 175.138 176.300 -0.336 0.000 1.000 149 R CA -0.478 55.454 56.100 -0.280 0.000 0.960 149 R CB 0.999 31.169 30.300 -0.216 0.000 1.076 149 R HN 0.584 nan 8.270 nan 0.000 0.475 150 L N 3.189 124.199 121.223 -0.356 0.000 2.331 150 L HA 0.367 4.702 4.340 -0.009 0.000 0.275 150 L C -1.549 175.071 176.870 -0.416 0.000 1.022 150 L CA -2.237 52.314 54.840 -0.481 0.000 0.812 150 L CB 1.724 43.572 42.059 -0.351 0.000 1.257 150 L HN 0.331 nan 8.230 nan 0.000 0.435 151 P HA -0.019 nan 4.420 nan 0.000 0.217 151 P C 0.446 177.693 177.300 -0.088 0.000 1.150 151 P CA 0.627 63.536 63.100 -0.318 0.000 0.832 151 P CB 0.358 31.829 31.700 -0.382 0.000 0.787 152 G N -2.744 106.097 108.800 0.069 0.000 2.815 152 G HA2 0.414 4.369 3.960 -0.009 0.000 0.305 152 G HA3 0.414 4.369 3.960 -0.009 0.000 0.305 152 G C -1.310 173.705 174.900 0.192 0.000 1.277 152 G CA -0.829 44.369 45.100 0.163 0.000 0.795 152 G HN -0.093 nan 8.290 nan 0.000 0.528 153 F N 0.906 120.916 119.950 0.101 0.000 2.604 153 F HA 0.331 4.853 4.527 -0.008 0.000 0.390 153 F C 1.291 177.095 175.800 0.007 0.000 1.053 153 F CA 1.883 59.831 58.000 -0.086 0.000 1.256 153 F CB 0.533 39.436 39.000 -0.162 0.000 0.996 153 F HN 0.540 nan 8.300 nan 0.000 0.564 154 G N 3.507 112.231 108.800 -0.128 0.000 2.746 154 G HA2 0.645 4.600 3.960 -0.009 0.000 0.297 154 G HA3 0.645 4.600 3.960 -0.009 0.000 0.297 154 G C -2.034 172.720 174.900 -0.244 0.000 1.426 154 G CA -0.684 44.416 45.100 -0.001 0.000 0.989 154 G HN 0.385 nan 8.290 nan 0.000 0.520 155 F N 1.062 121.299 119.950 0.477 0.000 2.562 155 F HA 0.396 4.918 4.527 -0.009 0.000 0.319 155 F C 0.328 176.311 175.800 0.304 0.000 1.154 155 F CA -0.960 57.246 58.000 0.343 0.000 0.931 155 F CB 2.542 41.698 39.000 0.260 0.000 1.198 155 F HN 0.286 nan 8.300 nan 0.000 0.444 156 V N 2.952 123.122 119.914 0.427 0.000 2.529 156 V HA 0.038 4.153 4.120 -0.009 0.000 0.292 156 V C 0.499 176.722 176.094 0.215 0.000 1.028 156 V CA 0.688 63.157 62.300 0.281 0.000 1.074 156 V CB 0.981 32.959 31.823 0.258 0.000 0.958 156 V HN 0.995 nan 8.190 nan 0.000 0.481 157 S N 2.252 118.012 115.700 0.100 0.000 2.506 157 S HA 0.160 4.624 4.470 -0.009 0.000 0.230 157 S C 0.227 174.883 174.600 0.092 0.000 1.066 157 S CA 0.201 58.447 58.200 0.077 0.000 0.940 157 S CB 0.223 63.408 63.200 -0.026 0.000 0.818 157 S HN 0.932 nan 8.310 nan 0.000 0.518 158 D N -0.812 119.634 120.400 0.075 0.000 2.706 158 D HA 0.427 5.062 4.640 -0.009 0.000 0.227 158 D C -1.907 174.465 176.300 0.121 0.000 1.233 158 D CA -0.356 53.711 54.000 0.111 0.000 0.768 158 D CB 1.130 41.964 40.800 0.056 0.000 1.490 158 D HN 0.015 nan 8.370 nan 0.000 0.458 159 I N 1.810 122.506 120.570 0.209 0.000 2.499 159 I HA 0.492 4.657 4.170 -0.009 0.000 0.288 159 I C -0.392 175.851 176.117 0.211 0.000 1.048 159 I CA -0.795 60.625 61.300 0.199 0.000 1.062 159 I CB 2.250 40.370 38.000 0.200 0.000 1.238 159 I HN 0.087 nan 8.210 nan 0.000 0.426 160 R N 4.331 124.898 120.500 0.111 0.000 2.473 160 R HA 0.571 4.906 4.340 -0.009 0.000 0.303 160 R C 0.489 176.825 176.300 0.060 0.000 1.002 160 R CA 0.323 56.465 56.100 0.069 0.000 0.884 160 R CB 1.536 31.830 30.300 -0.009 0.000 1.173 160 R HN 0.945 nan 8.270 nan 0.000 0.464 161 G N 3.550 112.398 108.800 0.081 0.000 2.602 161 G HA2 -0.413 3.542 3.960 -0.009 0.000 0.310 161 G HA3 -0.413 3.542 3.960 -0.009 0.000 0.310 161 G C 0.444 175.379 174.900 0.058 0.000 1.183 161 G CA 0.737 45.872 45.100 0.059 0.000 0.979 161 G HN 0.645 nan 8.290 nan 0.000 0.545 162 D N -0.203 120.221 120.400 0.040 0.000 2.350 162 D HA 0.320 4.955 4.640 -0.009 0.000 0.213 162 D C 0.790 177.115 176.300 0.043 0.000 1.031 162 D CA -0.089 53.934 54.000 0.039 0.000 0.861 162 D CB 0.086 40.903 40.800 0.029 0.000 0.926 162 D HN 0.294 nan 8.370 nan 0.000 0.520 163 L N 1.218 122.466 121.223 0.041 0.000 2.276 163 L HA 0.442 4.777 4.340 -0.009 0.000 0.286 163 L C -0.753 176.148 176.870 0.052 0.000 1.061 163 L CA -0.227 54.637 54.840 0.040 0.000 0.807 163 L CB 1.041 43.110 42.059 0.016 0.000 1.177 163 L HN -0.112 nan 8.230 nan 0.000 0.429 164 I N 5.161 125.768 120.570 0.063 0.000 2.389 164 I HA 0.626 4.791 4.170 -0.009 0.000 0.288 164 I C -0.118 176.016 176.117 0.029 0.000 0.999 164 I CA -0.350 60.993 61.300 0.071 0.000 1.129 164 I CB 1.641 39.707 38.000 0.110 0.000 1.288 164 I HN 0.737 nan 8.210 nan 0.000 0.444 165 A N 4.493 127.286 122.820 -0.045 0.000 2.356 165 A HA 1.003 5.318 4.320 -0.009 0.000 0.323 165 A C -0.141 177.224 177.584 -0.365 0.000 1.119 165 A CA -0.438 51.483 52.037 -0.193 0.000 0.790 165 A CB 1.614 20.517 19.000 -0.163 0.000 1.273 165 A HN 0.828 nan 8.150 nan 0.000 0.452 166 G N -0.643 107.679 108.800 -0.798 0.000 2.600 166 G HA2 0.561 4.516 3.960 -0.009 0.000 0.293 166 G HA3 0.561 4.516 3.960 -0.009 0.000 0.293 166 G C -1.830 172.563 174.900 -0.847 0.000 1.408 166 G CA -0.682 43.845 45.100 -0.954 0.000 0.782 166 G HN 0.757 nan 8.290 nan 0.000 0.482 167 L N 0.095 121.193 121.223 -0.208 0.000 2.365 167 L HA 0.766 5.101 4.340 -0.009 0.000 0.273 167 L C 0.350 177.402 176.870 0.302 0.000 1.000 167 L CA -0.831 54.038 54.840 0.048 0.000 0.819 167 L CB 2.456 44.567 42.059 0.085 0.000 1.284 167 L HN 0.774 nan 8.230 nan 0.000 0.418 168 G N 1.462 110.187 108.800 -0.126 0.000 2.626 168 G HA2 0.566 4.521 3.960 -0.009 0.000 0.304 168 G HA3 0.566 4.521 3.960 -0.009 0.000 0.304 168 G C -1.108 173.283 174.900 -0.848 0.000 1.385 168 G CA -0.315 44.223 45.100 -0.937 0.000 0.957 168 G HN 0.321 nan 8.290 nan 0.000 0.504 169 F N 3.049 122.851 119.950 -0.246 0.000 2.652 169 F HA 0.322 4.843 4.527 -0.009 0.000 0.352 169 F C 0.839 176.824 175.800 0.308 0.000 1.259 169 F CA -0.456 57.608 58.000 0.107 0.000 1.249 169 F CB -0.011 39.196 39.000 0.346 0.000 1.628 169 F HN 0.525 nan 8.300 nan 0.000 0.654 170 F N 0.463 120.570 119.950 0.260 0.000 2.678 170 F HA 0.406 4.928 4.527 -0.009 0.000 0.305 170 F C 1.187 177.073 175.800 0.142 0.000 1.090 170 F CA -0.361 57.742 58.000 0.172 0.000 1.272 170 F CB 0.823 39.888 39.000 0.108 0.000 1.060 170 F HN 0.355 nan 8.300 nan 0.000 0.576 171 G N -0.837 108.158 108.800 0.325 0.000 2.387 171 G HA2 0.370 4.324 3.960 -0.009 0.000 0.309 171 G HA3 0.370 4.324 3.960 -0.009 0.000 0.309 171 G C 0.162 175.162 174.900 0.168 0.000 1.641 171 G CA -0.151 45.080 45.100 0.217 0.000 0.904 171 G HN 0.279 nan 8.290 nan 0.000 0.661 172 G N -0.207 108.680 108.800 0.146 0.000 2.153 172 G HA2 0.285 4.240 3.960 -0.009 0.000 0.252 172 G HA3 0.285 4.240 3.960 -0.009 0.000 0.252 172 G C 1.932 176.906 174.900 0.124 0.000 0.994 172 G CA 1.384 46.549 45.100 0.107 0.000 0.698 172 G HN 2.889 nan 8.290 nan 0.000 0.521 173 G N -1.470 107.451 108.800 0.201 0.000 2.225 173 G HA2 -0.273 3.681 3.960 -0.009 0.000 0.254 173 G HA3 -0.273 3.681 3.960 -0.009 0.000 0.254 173 G C 0.532 175.467 174.900 0.057 0.000 0.988 173 G CA 1.003 46.239 45.100 0.227 0.000 0.625 173 G HN 1.057 nan 8.290 nan 0.000 0.527 174 R N -0.127 120.391 120.500 0.030 0.000 2.539 174 R HA 0.518 4.853 4.340 -0.009 0.000 0.275 174 R C -0.102 176.082 176.300 -0.193 0.000 1.077 174 R CA -0.261 55.791 56.100 -0.080 0.000 1.097 174 R CB 1.451 31.733 30.300 -0.030 0.000 1.018 174 R HN 0.104 nan 8.270 nan 0.000 0.483 175 V N 2.243 121.971 119.914 -0.309 0.000 2.347 175 V HA 0.196 4.311 4.120 -0.009 0.000 0.280 175 V C -0.003 176.022 176.094 -0.114 0.000 1.021 175 V CA -0.564 61.477 62.300 -0.433 0.000 0.847 175 V CB 1.351 32.825 31.823 -0.580 0.000 0.990 175 V HN 0.778 nan 8.190 nan 0.000 0.444 176 S N 4.526 120.176 115.700 -0.082 0.000 2.669 176 S HA 0.692 5.157 4.470 -0.009 0.000 0.270 176 S C -0.371 174.334 174.600 0.175 0.000 1.225 176 S CA -0.506 57.791 58.200 0.162 0.000 0.991 176 S CB 1.637 64.938 63.200 0.169 0.000 0.987 176 S HN 0.568 nan 8.310 nan 0.000 0.552 177 L N 2.337 123.687 121.223 0.212 0.000 2.325 177 L HA 0.704 5.039 4.340 -0.009 0.000 0.279 177 L C -1.099 175.961 176.870 0.316 0.000 1.054 177 L CA -0.366 54.478 54.840 0.007 0.000 0.804 177 L CB 0.416 42.236 42.059 -0.399 0.000 1.200 177 L HN 0.628 nan 8.230 nan 0.000 0.436 178 F N 1.207 121.277 119.950 0.200 0.000 2.576 178 F HA 0.895 5.416 4.527 -0.009 0.000 0.313 178 F C -0.423 175.514 175.800 0.228 0.000 1.078 178 F CA -0.562 57.583 58.000 0.241 0.000 0.921 178 F CB 1.223 40.379 39.000 0.261 0.000 1.232 178 F HN 0.560 nan 8.300 nan 0.000 0.459 179 T N -0.529 114.285 114.554 0.433 0.000 2.942 179 T HA 0.799 5.144 4.350 -0.009 0.000 0.289 179 T C -0.730 174.141 174.700 0.285 0.000 1.044 179 T CA -0.789 61.486 62.100 0.292 0.000 1.023 179 T CB 1.653 70.690 68.868 0.283 0.000 1.123 179 T HN 0.993 nan 8.240 nan 0.000 0.512 180 S N -0.275 115.543 115.700 0.197 0.000 2.615 180 S HA 0.522 4.986 4.470 -0.009 0.000 0.269 180 S C -1.850 172.803 174.600 0.088 0.000 1.161 180 S CA -0.972 57.307 58.200 0.131 0.000 0.817 180 S CB 1.122 64.400 63.200 0.131 0.000 1.131 180 S HN 0.844 nan 8.310 nan 0.000 0.467 181 N N 1.457 120.191 118.700 0.057 0.000 2.399 181 N HA 0.372 5.106 4.740 -0.009 0.000 0.295 181 N C 0.646 176.178 175.510 0.036 0.000 1.048 181 N CA -0.683 52.394 53.050 0.044 0.000 0.886 181 N CB 1.579 40.086 38.487 0.033 0.000 1.185 181 N HN 0.448 nan 8.380 nan 0.000 0.487 182 L N 2.582 123.829 121.223 0.040 0.000 2.131 182 L HA -0.123 4.212 4.340 -0.009 0.000 0.210 182 L C 1.800 178.686 176.870 0.026 0.000 1.092 182 L CA 1.817 56.679 54.840 0.036 0.000 0.759 182 L CB -0.438 41.647 42.059 0.043 0.000 0.903 182 L HN 0.707 nan 8.230 nan 0.000 0.435 183 S N -2.478 113.236 115.700 0.023 0.000 2.456 183 S HA 0.020 4.485 4.470 -0.009 0.000 0.224 183 S C 1.615 176.222 174.600 0.011 0.000 1.035 183 S CA 0.459 58.669 58.200 0.018 0.000 0.940 183 S CB -0.384 62.826 63.200 0.018 0.000 0.799 183 S HN 0.553 nan 8.310 nan 0.000 0.508 184 S N 0.173 115.879 115.700 0.009 0.000 2.578 184 S HA 0.591 5.055 4.470 -0.009 0.000 0.228 184 S C 1.297 175.894 174.600 -0.005 0.000 1.022 184 S CA 0.151 58.352 58.200 0.002 0.000 0.967 184 S CB -0.202 63.000 63.200 0.004 0.000 0.914 184 S HN 1.185 nan 8.310 nan 0.000 0.515 185 G N 1.428 110.226 108.800 -0.004 0.000 2.566 185 G HA2 0.252 4.207 3.960 -0.009 0.000 0.280 185 G HA3 0.252 4.207 3.960 -0.009 0.000 0.280 185 G C 0.494 175.387 174.900 -0.012 0.000 1.225 185 G CA -0.101 44.990 45.100 -0.016 0.000 0.966 185 G HN 2.077 nan 8.290 nan 0.000 0.560 186 G N -2.615 106.165 108.800 -0.033 0.000 2.631 186 G HA2 0.480 4.435 3.960 -0.009 0.000 0.504 186 G HA3 0.480 4.435 3.960 -0.009 0.000 0.504 186 G C -0.909 173.973 174.900 -0.030 0.000 1.306 186 G CA 0.274 45.354 45.100 -0.033 0.000 0.897 186 G HN 2.361 nan 8.290 nan 0.000 0.520 187 L N -0.654 120.548 121.223 -0.035 0.000 2.614 187 L HA 0.871 5.205 4.340 -0.009 0.000 0.264 187 L C 0.100 176.939 176.870 -0.051 0.000 0.940 187 L CA 0.650 55.474 54.840 -0.027 0.000 0.903 187 L CB 1.330 43.331 42.059 -0.097 0.000 1.306 187 L HN 1.931 nan 8.230 nan 0.000 0.410 188 R N 3.298 123.775 120.500 -0.040 0.000 2.589 188 R HA 0.963 5.298 4.340 -0.009 0.000 0.293 188 R C -1.461 174.625 176.300 -0.357 0.000 0.963 188 R CA -0.207 55.756 56.100 -0.228 0.000 0.905 188 R CB 1.729 31.883 30.300 -0.244 0.000 1.144 188 R HN 0.493 nan 8.270 nan 0.000 0.459 189 V N 2.374 121.978 119.914 -0.516 0.000 2.588 189 V HA 0.738 4.853 4.120 -0.009 0.000 0.304 189 V C -1.246 174.533 176.094 -0.526 0.000 1.042 189 V CA -0.932 61.172 62.300 -0.327 0.000 0.877 189 V CB 1.555 33.390 31.823 0.020 0.000 0.996 189 V HN 0.770 nan 8.190 nan 0.000 0.425 190 F N 1.692 121.729 119.950 0.145 0.000 2.477 190 F HA 0.662 5.183 4.527 -0.009 0.000 0.335 190 F C -0.141 175.795 175.800 0.227 0.000 1.130 190 F CA -0.683 57.394 58.000 0.128 0.000 0.948 190 F CB 1.600 40.625 39.000 0.042 0.000 1.154 190 F HN 0.355 nan 8.300 nan 0.000 0.439 191 D N 0.815 121.428 120.400 0.356 0.000 2.350 191 D HA 0.383 5.018 4.640 -0.009 0.000 0.245 191 D C -0.815 175.625 176.300 0.233 0.000 1.036 191 D CA -0.269 53.907 54.000 0.293 0.000 0.848 191 D CB 2.130 43.032 40.800 0.170 0.000 1.307 191 D HN 0.375 nan 8.370 nan 0.000 0.469 192 S N 0.455 116.210 115.700 0.093 0.000 2.554 192 S HA 0.518 4.983 4.470 -0.009 0.000 0.278 192 S C 1.305 175.879 174.600 -0.043 0.000 1.242 192 S CA -0.450 57.726 58.200 -0.039 0.000 1.051 192 S CB 1.204 64.194 63.200 -0.349 0.000 0.986 192 S HN 0.507 nan 8.310 nan 0.000 0.502 193 G N 2.556 111.346 108.800 -0.016 0.000 2.712 193 G HA2 0.038 3.992 3.960 -0.009 0.000 0.212 193 G HA3 0.038 3.992 3.960 -0.009 0.000 0.212 193 G C 0.976 175.854 174.900 -0.037 0.000 1.142 193 G CA 0.148 45.240 45.100 -0.014 0.000 0.789 193 G HN 0.775 nan 8.290 nan 0.000 0.535 194 E N -0.919 119.240 120.200 -0.068 0.000 2.276 194 E HA 0.348 4.692 4.350 -0.009 0.000 0.193 194 E C 1.375 177.912 176.600 -0.104 0.000 0.983 194 E CA 0.393 56.749 56.400 -0.074 0.000 0.861 194 E CB 0.602 30.258 29.700 -0.073 0.000 0.817 194 E HN 0.385 nan 8.360 nan 0.000 0.485 195 G N -0.270 108.429 108.800 -0.168 0.000 2.441 195 G HA2 0.185 4.140 3.960 -0.009 0.000 0.225 195 G HA3 0.185 4.140 3.960 -0.009 0.000 0.225 195 G C -1.217 173.498 174.900 -0.308 0.000 1.200 195 G CA -0.616 44.368 45.100 -0.193 0.000 0.947 195 G HN -0.014 nan 8.290 nan 0.000 0.484 196 S N -0.389 115.117 115.700 -0.322 0.000 2.500 196 S HA 0.700 5.165 4.470 -0.009 0.000 0.301 196 S C -1.059 173.317 174.600 -0.373 0.000 1.092 196 S CA -0.399 57.592 58.200 -0.348 0.000 1.030 196 S CB 1.167 64.219 63.200 -0.247 0.000 1.031 196 S HN 0.407 nan 8.310 nan 0.000 0.483 197 F N 2.111 121.992 119.950 -0.115 0.000 2.456 197 F HA 0.218 4.739 4.527 -0.009 0.000 0.358 197 F C 1.784 177.509 175.800 -0.125 0.000 1.095 197 F CA -0.207 57.730 58.000 -0.105 0.000 1.216 197 F CB 1.039 39.980 39.000 -0.098 0.000 1.125 197 F HN 0.719 nan 8.300 nan 0.000 0.549 198 S N 0.042 115.793 115.700 0.085 0.000 2.514 198 S HA 0.210 4.675 4.470 -0.009 0.000 0.223 198 S C 0.281 174.895 174.600 0.023 0.000 1.046 198 S CA 0.363 58.578 58.200 0.026 0.000 0.914 198 S CB -0.011 63.203 63.200 0.024 0.000 0.807 198 S HN 0.568 nan 8.310 nan 0.000 0.497 199 S N 0.012 115.718 115.700 0.010 0.000 2.579 199 S HA 0.885 5.350 4.470 -0.009 0.000 0.272 199 S C -0.984 173.546 174.600 -0.116 0.000 1.141 199 S CA -0.472 57.691 58.200 -0.062 0.000 0.843 199 S CB 1.502 64.637 63.200 -0.108 0.000 1.122 199 S HN 1.160 nan 8.310 nan 0.000 0.468 200 A N 0.470 123.187 122.820 -0.172 0.000 2.549 200 A HA 0.929 5.244 4.320 -0.009 0.000 0.297 200 A C -0.654 176.812 177.584 -0.197 0.000 1.061 200 A CA -0.611 51.310 52.037 -0.194 0.000 0.690 200 A CB 1.657 20.536 19.000 -0.203 0.000 1.287 200 A HN 1.553 nan 8.150 nan 0.000 0.402 201 S N 0.696 116.302 115.700 -0.158 0.000 2.543 201 S HA 0.563 5.027 4.470 -0.009 0.000 0.273 201 S C -1.358 173.271 174.600 0.048 0.000 1.152 201 S CA -0.520 57.641 58.200 -0.066 0.000 0.910 201 S CB 0.569 63.689 63.200 -0.133 0.000 1.105 201 S HN 0.691 nan 8.310 nan 0.000 0.465 202 I N 4.379 124.973 120.570 0.039 0.000 2.337 202 I HA 0.262 4.426 4.170 -0.009 0.000 0.291 202 I C 0.977 177.003 176.117 -0.153 0.000 1.046 202 I CA -0.269 61.010 61.300 -0.035 0.000 1.324 202 I CB 1.279 39.248 38.000 -0.052 0.000 1.409 202 I HN 0.679 nan 8.210 nan 0.000 0.494 203 S N 6.443 121.975 115.700 -0.280 0.000 2.600 203 S HA 0.260 4.725 4.470 -0.009 0.000 0.265 203 S C -1.689 172.610 174.600 -0.501 0.000 1.325 203 S CA -1.027 56.710 58.200 -0.772 0.000 1.002 203 S CB 0.629 63.557 63.200 -0.454 0.000 0.921 203 S HN 0.395 nan 8.310 nan 0.000 0.554 204 P HA -0.051 nan 4.420 nan 0.000 0.217 204 P C 1.352 178.535 177.300 -0.195 0.000 1.151 204 P CA 1.776 64.701 63.100 -0.292 0.000 0.849 204 P CB -0.507 31.039 31.700 -0.256 0.000 0.787 205 G N -1.385 107.302 108.800 -0.189 0.000 3.061 205 G HA2 -0.034 3.920 3.960 -0.009 0.000 0.208 205 G HA3 -0.034 3.920 3.960 -0.009 0.000 0.208 205 G C 0.514 175.349 174.900 -0.110 0.000 1.175 205 G CA -0.039 44.986 45.100 -0.126 0.000 0.812 205 G HN 0.016 nan 8.290 nan 0.000 0.523 206 M N -1.089 118.436 119.600 -0.124 0.000 2.682 206 M HA -0.152 4.322 4.480 -0.009 0.000 0.196 206 M C 0.395 176.637 176.300 -0.097 0.000 0.542 206 M CA 1.004 56.246 55.300 -0.097 0.000 0.593 206 M CB -2.258 30.302 32.600 -0.066 0.000 2.183 206 M HN 0.350 nan 8.290 nan 0.000 0.663 207 K N -0.488 119.843 120.400 -0.115 0.000 2.177 207 K HA 0.729 5.044 4.320 -0.009 0.000 0.238 207 K C 0.198 176.719 176.600 -0.132 0.000 1.015 207 K CA -0.813 55.401 56.287 -0.123 0.000 0.922 207 K CB 1.760 34.194 32.500 -0.109 0.000 1.127 207 K HN -0.007 nan 8.250 nan 0.000 0.469 208 V N 1.989 121.800 119.914 -0.173 0.000 2.311 208 V HA 0.129 4.244 4.120 -0.009 0.000 0.275 208 V C -0.265 175.731 176.094 -0.163 0.000 1.022 208 V CA -0.773 61.417 62.300 -0.184 0.000 0.830 208 V CB 0.947 32.597 31.823 -0.289 0.000 1.012 208 V HN 0.731 nan 8.190 nan 0.000 0.452 209 T N 4.602 119.110 114.554 -0.078 0.000 2.851 209 T HA 0.620 4.964 4.350 -0.009 0.000 0.298 209 T C 0.229 174.844 174.700 -0.142 0.000 0.977 209 T CA 0.091 62.144 62.100 -0.079 0.000 1.126 209 T CB 1.094 69.955 68.868 -0.011 0.000 0.916 209 T HN 1.010 nan 8.240 nan 0.000 0.529 210 A N 2.226 124.974 122.820 -0.120 0.000 2.547 210 A HA 0.744 5.059 4.320 -0.009 0.000 0.297 210 A C 0.140 177.744 177.584 0.034 0.000 1.056 210 A CA -0.764 51.222 52.037 -0.085 0.000 0.688 210 A CB 1.318 20.210 19.000 -0.179 0.000 1.282 210 A HN 0.982 nan 8.150 nan 0.000 0.400 211 G N 0.286 109.110 108.800 0.039 0.000 2.378 211 G HA2 0.525 4.480 3.960 -0.009 0.000 0.255 211 G HA3 0.525 4.480 3.960 -0.009 0.000 0.255 211 G C -0.670 174.318 174.900 0.146 0.000 1.270 211 G CA -0.041 45.107 45.100 0.080 0.000 0.876 211 G HN 1.178 nan 8.290 nan 0.000 0.521 212 L N 1.949 123.222 121.223 0.083 0.000 2.318 212 L HA 0.453 4.787 4.340 -0.009 0.000 0.277 212 L C -0.082 176.746 176.870 -0.069 0.000 1.008 212 L CA -0.754 54.054 54.840 -0.052 0.000 0.846 212 L CB 1.226 43.241 42.059 -0.073 0.000 1.220 212 L HN 0.573 nan 8.230 nan 0.000 0.423 213 E N 3.667 123.806 120.200 -0.102 0.000 2.130 213 E HA 0.392 4.737 4.350 -0.009 0.000 0.284 213 E C -0.118 176.426 176.600 -0.094 0.000 1.018 213 E CA -0.297 56.061 56.400 -0.070 0.000 0.817 213 E CB 0.868 30.537 29.700 -0.051 0.000 1.078 213 E HN 0.733 nan 8.360 nan 0.000 0.396 214 T N -0.880 113.635 114.554 -0.065 0.000 2.889 214 T HA 0.502 4.846 4.350 -0.009 0.000 0.278 214 T C 1.342 176.030 174.700 -0.020 0.000 0.995 214 T CA -0.229 61.837 62.100 -0.057 0.000 0.966 214 T CB 1.415 70.251 68.868 -0.053 0.000 1.237 214 T HN 0.314 nan 8.240 nan 0.000 0.591 215 A N 0.771 123.587 122.820 -0.006 0.000 1.903 215 A HA -0.085 4.230 4.320 -0.009 0.000 0.219 215 A C 2.225 179.823 177.584 0.024 0.000 1.191 215 A CA 1.251 53.303 52.037 0.025 0.000 0.638 215 A CB -0.672 18.342 19.000 0.024 0.000 0.823 215 A HN 0.710 nan 8.150 nan 0.000 0.451 216 R N -0.030 120.469 120.500 -0.001 0.000 1.357 216 R HA 0.320 4.655 4.340 -0.009 0.000 0.099 216 R C 0.640 176.923 176.300 -0.028 0.000 1.519 216 R CA -0.073 56.019 56.100 -0.013 0.000 1.981 216 R CB -1.302 28.983 30.300 -0.024 0.000 1.068 216 R HN 0.598 nan 8.270 nan 0.000 0.638 217 E N 0.265 120.437 120.200 -0.047 0.000 2.416 217 E HA 0.363 4.707 4.350 -0.009 0.000 0.254 217 E C -0.559 176.010 176.600 -0.052 0.000 1.241 217 E CA -0.243 56.117 56.400 -0.067 0.000 0.969 217 E CB 0.543 30.191 29.700 -0.087 0.000 0.999 217 E HN 0.473 nan 8.360 nan 0.000 0.481 218 A N 1.098 123.884 122.820 -0.057 0.000 2.337 218 A HA 0.675 4.990 4.320 -0.009 0.000 0.331 218 A C -0.502 177.086 177.584 0.005 0.000 1.137 218 A CA -0.608 51.419 52.037 -0.017 0.000 0.807 218 A CB 0.974 19.980 19.000 0.010 0.000 1.250 218 A HN 0.705 nan 8.150 nan 0.000 0.468 219 R N 0.624 121.166 120.500 0.071 0.000 2.752 219 R HA 0.712 5.047 4.340 -0.009 0.000 0.271 219 R C -1.954 174.448 176.300 0.170 0.000 1.026 219 R CA -0.910 55.283 56.100 0.155 0.000 0.901 219 R CB 0.808 31.156 30.300 0.080 0.000 1.243 219 R HN 0.451 nan 8.270 nan 0.000 0.463 220 L N 1.838 123.170 121.223 0.182 0.000 2.312 220 L HA 0.615 4.950 4.340 -0.009 0.000 0.281 220 L C -0.062 176.829 176.870 0.034 0.000 1.070 220 L CA -0.790 54.074 54.840 0.039 0.000 0.805 220 L CB 1.701 43.692 42.059 -0.113 0.000 1.174 220 L HN 0.585 nan 8.230 nan 0.000 0.434 221 V N -0.684 119.248 119.914 0.029 0.000 3.141 221 V HA 0.705 4.820 4.120 -0.009 0.000 0.312 221 V C -0.455 175.631 176.094 -0.014 0.000 1.157 221 V CA -0.529 61.790 62.300 0.031 0.000 1.041 221 V CB 2.149 34.028 31.823 0.094 0.000 1.071 221 V HN 0.636 nan 8.190 nan 0.000 0.441 222 T N 1.692 116.229 114.554 -0.028 0.000 2.864 222 T HA 0.619 4.964 4.350 -0.009 0.000 0.299 222 T C -0.587 174.052 174.700 -0.101 0.000 1.011 222 T CA -0.297 61.762 62.100 -0.068 0.000 0.975 222 T CB 1.174 70.012 68.868 -0.049 0.000 0.962 222 T HN 0.751 nan 8.240 nan 0.000 0.448 223 V N 3.321 123.123 119.914 -0.186 0.000 2.394 223 V HA 0.353 4.468 4.120 -0.009 0.000 0.282 223 V C 0.220 176.145 176.094 -0.281 0.000 1.031 223 V CA -0.933 61.202 62.300 -0.275 0.000 0.881 223 V CB 1.573 33.098 31.823 -0.497 0.000 0.982 223 V HN 0.766 nan 8.190 nan 0.000 0.451 224 D N 7.158 127.430 120.400 -0.214 0.000 2.316 224 D HA 0.251 4.886 4.640 -0.009 0.000 0.245 224 D C -1.513 174.663 176.300 -0.207 0.000 1.171 224 D CA -1.758 52.145 54.000 -0.163 0.000 0.856 224 D CB 2.315 43.068 40.800 -0.077 0.000 1.090 224 D HN 0.291 nan 8.370 nan 0.000 0.476 225 P HA 0.022 nan 4.420 nan 0.000 0.241 225 P C 0.774 178.165 177.300 0.151 0.000 1.191 225 P CA 0.406 63.475 63.100 -0.051 0.000 0.771 225 P CB 0.543 32.236 31.700 -0.011 0.000 0.929 226 R N 0.607 121.146 120.500 0.065 0.000 2.140 226 R HA 0.017 4.351 4.340 -0.009 0.000 0.213 226 R C 0.942 177.293 176.300 0.084 0.000 1.059 226 R CA 1.442 57.584 56.100 0.070 0.000 1.000 226 R CB -0.184 30.134 30.300 0.029 0.000 0.910 226 R HN 0.252 nan 8.270 nan 0.000 0.455 227 D N -2.023 118.428 120.400 0.084 0.000 2.539 227 D HA 0.116 4.751 4.640 -0.009 0.000 0.232 227 D C 0.866 177.240 176.300 0.123 0.000 1.256 227 D CA 0.296 54.348 54.000 0.086 0.000 0.810 227 D CB 0.517 41.346 40.800 0.047 0.000 1.090 227 D HN 0.140 nan 8.370 nan 0.000 0.519 228 G N 0.845 109.757 108.800 0.186 0.000 2.155 228 G HA2 -0.289 3.666 3.960 -0.009 0.000 0.257 228 G HA3 -0.289 3.666 3.960 -0.009 0.000 0.257 228 G C 0.428 175.395 174.900 0.112 0.000 0.983 228 G CA 0.634 45.895 45.100 0.268 0.000 0.676 228 G HN 0.949 nan 8.290 nan 0.000 0.528 229 S N -1.165 114.555 115.700 0.033 0.000 2.603 229 S HA 0.771 5.236 4.470 -0.009 0.000 0.268 229 S C 0.126 174.718 174.600 -0.013 0.000 1.317 229 S CA 0.001 58.212 58.200 0.019 0.000 1.012 229 S CB 2.597 65.803 63.200 0.010 0.000 0.926 229 S HN 1.239 nan 8.310 nan 0.000 0.539 230 V N 1.615 121.536 119.914 0.011 0.000 2.962 230 V HA 0.821 4.935 4.120 -0.009 0.000 0.313 230 V C -0.552 175.549 176.094 0.012 0.000 1.099 230 V CA -0.886 61.422 62.300 0.013 0.000 0.971 230 V CB 1.398 33.257 31.823 0.061 0.000 1.028 230 V HN 1.162 nan 8.190 nan 0.000 0.430 231 E N 0.134 120.339 120.200 0.008 0.000 2.401 231 E HA 0.443 4.787 4.350 -0.009 0.000 0.280 231 E C -2.058 174.548 176.600 0.011 0.000 1.039 231 E CA -1.035 55.369 56.400 0.008 0.000 0.814 231 E CB 1.647 31.346 29.700 -0.002 0.000 1.275 231 E HN 0.465 nan 8.360 nan 0.000 0.448 232 D N 1.399 121.807 120.400 0.013 0.000 2.390 232 D HA 0.156 4.791 4.640 -0.009 0.000 0.249 232 D C -0.591 175.714 176.300 0.008 0.000 1.144 232 D CA -0.246 53.764 54.000 0.017 0.000 0.880 232 D CB 0.912 41.724 40.800 0.020 0.000 1.182 232 D HN 0.309 nan 8.370 nan 0.000 0.451 233 L N 3.246 124.471 121.223 0.004 0.000 2.281 233 L HA 0.174 4.508 4.340 -0.009 0.000 0.285 233 L C -0.020 176.847 176.870 -0.005 0.000 1.074 233 L CA 0.019 54.851 54.840 -0.012 0.000 0.817 233 L CB 0.398 42.433 42.059 -0.039 0.000 1.168 233 L HN 0.165 nan 8.230 nan 0.000 0.434 234 E N 5.860 126.058 120.200 -0.003 0.000 2.191 234 E HA 0.425 4.770 4.350 -0.009 0.000 0.278 234 E C -0.890 175.705 176.600 -0.008 0.000 0.972 234 E CA -0.509 55.894 56.400 0.005 0.000 0.804 234 E CB 2.081 31.787 29.700 0.009 0.000 1.110 234 E HN 0.602 nan 8.360 nan 0.000 0.394 235 L N 2.804 124.024 121.223 -0.005 0.000 2.313 235 L HA 0.328 4.662 4.340 -0.009 0.000 0.268 235 L C -1.464 175.409 176.870 0.005 0.000 1.010 235 L CA -2.058 52.772 54.840 -0.018 0.000 0.814 235 L CB 1.066 43.094 42.059 -0.052 0.000 1.304 235 L HN 0.233 nan 8.230 nan 0.000 0.441 236 P HA -0.111 nan 4.420 nan 0.000 0.215 236 P C 0.325 177.640 177.300 0.025 0.000 1.153 236 P CA 0.909 64.017 63.100 0.013 0.000 0.853 236 P CB 0.230 31.937 31.700 0.012 0.000 0.788 237 S N -0.581 115.140 115.700 0.035 0.000 2.565 237 S HA 0.297 4.761 4.470 -0.009 0.000 0.290 237 S C 0.465 175.107 174.600 0.070 0.000 1.150 237 S CA -0.683 57.549 58.200 0.054 0.000 1.058 237 S CB 0.457 63.700 63.200 0.071 0.000 1.032 237 S HN -0.179 nan 8.310 nan 0.000 0.510 238 K N 2.850 123.293 120.400 0.071 0.000 2.593 238 K HA 0.194 4.509 4.320 -0.009 0.000 0.208 238 K C -0.135 176.515 176.600 0.083 0.000 1.051 238 K CA -0.201 56.129 56.287 0.072 0.000 1.111 238 K CB 0.212 32.740 32.500 0.047 0.000 0.849 238 K HN 0.588 nan 8.250 nan 0.000 0.479 239 D N 0.420 120.896 120.400 0.127 0.000 2.144 239 D HA -0.138 4.497 4.640 -0.009 0.000 0.200 239 D C 1.509 177.867 176.300 0.097 0.000 0.978 239 D CA 0.825 54.933 54.000 0.181 0.000 0.833 239 D CB -0.036 40.947 40.800 0.304 0.000 0.961 239 D HN 0.196 nan 8.370 nan 0.000 0.470 240 F N 1.510 121.312 119.950 -0.247 0.000 2.113 240 F HA -0.179 4.343 4.527 -0.009 0.000 0.297 240 F C 2.510 178.149 175.800 -0.269 0.000 1.103 240 F CA 1.484 59.074 58.000 -0.683 0.000 1.248 240 F CB -0.324 38.261 39.000 -0.692 0.000 0.999 240 F HN -0.166 nan 8.300 nan 0.000 0.475 241 S N -0.489 115.119 115.700 -0.154 0.000 2.368 241 S HA -0.197 4.267 4.470 -0.009 0.000 0.225 241 S C 2.232 176.730 174.600 -0.171 0.000 1.030 241 S CA 1.648 59.737 58.200 -0.184 0.000 0.999 241 S CB -0.894 62.299 63.200 -0.013 0.000 0.844 241 S HN 0.603 nan 8.310 nan 0.000 0.459 242 S N -0.637 115.019 115.700 -0.072 0.000 2.562 242 S HA 0.007 4.472 4.470 -0.009 0.000 0.221 242 S C 1.550 176.154 174.600 0.007 0.000 0.975 242 S CA 0.269 58.454 58.200 -0.025 0.000 0.918 242 S CB -0.604 62.611 63.200 0.025 0.000 0.772 242 S HN 0.700 nan 8.310 nan 0.000 0.531 243 Y N 2.867 123.068 120.300 -0.165 0.000 2.395 243 Y HA 0.256 4.801 4.550 -0.009 0.000 0.293 243 Y C 0.736 176.541 175.900 -0.158 0.000 1.123 243 Y CA 0.562 58.598 58.100 -0.108 0.000 1.227 243 Y CB -0.053 38.354 38.460 -0.089 0.000 1.012 243 Y HN 0.160 nan 8.280 nan 0.000 0.552 244 R N 0.163 120.486 120.500 -0.295 0.000 3.205 244 R HA -0.145 4.190 4.340 -0.009 0.000 0.249 244 R C -2.697 173.363 176.300 -0.400 0.000 0.937 244 R CA 0.600 56.506 56.100 -0.324 0.000 0.641 244 R CB -2.445 27.709 30.300 -0.242 0.000 1.114 244 R HN 0.349 nan 8.270 nan 0.000 0.451 245 P HA 0.001 nan 4.420 nan 0.000 0.269 245 P C 0.641 177.849 177.300 -0.152 0.000 1.209 245 P CA 0.151 63.129 63.100 -0.204 0.000 0.776 245 P CB 0.897 32.593 31.700 -0.006 0.000 0.876 246 T N -0.504 113.980 114.554 -0.117 0.000 3.069 246 T HA 0.449 4.794 4.350 -0.009 0.000 0.252 246 T C 0.225 174.893 174.700 -0.054 0.000 1.053 246 T CA 0.236 62.282 62.100 -0.091 0.000 0.964 246 T CB -0.286 68.515 68.868 -0.112 0.000 1.005 246 T HN 0.657 nan 8.240 nan 0.000 0.532 247 A N 0.390 123.202 122.820 -0.014 0.000 2.605 247 A HA 0.694 5.009 4.320 -0.009 0.000 0.294 247 A C -1.805 175.836 177.584 0.094 0.000 1.062 247 A CA -0.748 51.301 52.037 0.022 0.000 0.682 247 A CB 0.997 19.990 19.000 -0.011 0.000 1.278 247 A HN 0.348 nan 8.150 nan 0.000 0.410 248 I N 1.536 122.166 120.570 0.100 0.000 2.410 248 I HA 0.312 4.476 4.170 -0.009 0.000 0.286 248 I C 1.059 177.252 176.117 0.126 0.000 1.009 248 I CA -0.346 61.040 61.300 0.145 0.000 1.111 248 I CB 2.213 40.296 38.000 0.138 0.000 1.262 248 I HN 0.775 nan 8.210 nan 0.000 0.443 249 T N 4.184 118.840 114.554 0.169 0.000 2.732 249 T HA -0.082 4.263 4.350 -0.009 0.000 0.261 249 T C -0.325 174.530 174.700 0.259 0.000 1.040 249 T CA 1.354 63.562 62.100 0.181 0.000 1.145 249 T CB 0.052 69.039 68.868 0.199 0.000 0.866 249 T HN 0.639 nan 8.240 nan 0.000 0.427 250 W N 0.872 122.195 121.300 0.038 0.000 3.419 250 W HA 0.468 5.123 4.660 -0.009 0.000 0.298 250 W C -2.532 173.984 176.519 -0.004 0.000 1.260 250 W CA -1.367 55.987 57.345 0.015 0.000 1.199 250 W CB 0.847 30.318 29.460 0.018 0.000 1.349 250 W HN 0.111 nan 8.180 nan 0.000 0.557 251 L N 3.057 123.638 121.223 -1.071 0.000 2.409 251 L HA 1.148 5.482 4.340 -0.009 0.000 0.255 251 L C -0.354 175.397 176.870 -1.864 0.000 1.027 251 L CA -0.822 53.270 54.840 -1.246 0.000 0.834 251 L CB 1.785 43.459 42.059 -0.641 0.000 1.426 251 L HN 0.863 nan 8.230 nan 0.000 0.411 252 G N -0.604 107.403 108.800 -1.321 0.000 2.498 252 G HA2 0.409 4.363 3.960 -0.009 0.000 0.301 252 G HA3 0.409 4.363 3.960 -0.009 0.000 0.301 252 G C -2.185 172.477 174.900 -0.397 0.000 1.577 252 G CA -0.705 43.948 45.100 -0.746 0.000 0.868 252 G HN 0.556 nan 8.290 nan 0.000 0.599 253 Y N 1.369 121.591 120.300 -0.131 0.000 2.436 253 Y HA 0.410 4.955 4.550 -0.008 0.000 0.336 253 Y C 1.455 177.332 175.900 -0.039 0.000 1.049 253 Y CA -0.253 57.797 58.100 -0.084 0.000 1.294 253 Y CB 0.820 39.218 38.460 -0.103 0.000 1.179 253 Y HN 0.346 nan 8.280 nan 0.000 0.520 254 L N 6.163 127.438 121.223 0.086 0.000 2.472 254 L HA 0.117 4.451 4.340 -0.009 0.000 0.260 254 L C -1.276 175.513 176.870 -0.135 0.000 1.209 254 L CA -1.705 53.122 54.840 -0.023 0.000 0.817 254 L CB 0.254 42.317 42.059 0.006 0.000 1.106 254 L HN 0.470 nan 8.230 nan 0.000 0.479 255 P HA -0.145 nan 4.420 nan 0.000 0.221 255 P C 0.410 177.617 177.300 -0.155 0.000 1.145 255 P CA 0.940 63.849 63.100 -0.320 0.000 0.795 255 P CB -0.026 31.388 31.700 -0.477 0.000 0.775 256 D N -2.372 117.964 120.400 -0.106 0.000 2.340 256 D HA 0.125 4.759 4.640 -0.009 0.000 0.220 256 D C 1.473 177.755 176.300 -0.030 0.000 1.039 256 D CA 0.581 54.547 54.000 -0.057 0.000 0.866 256 D CB -0.706 40.071 40.800 -0.039 0.000 0.913 256 D HN 0.214 nan 8.370 nan 0.000 0.523 257 G N 0.046 108.840 108.800 -0.011 0.000 2.232 257 G HA2 -0.282 3.673 3.960 -0.009 0.000 0.226 257 G HA3 -0.282 3.673 3.960 -0.009 0.000 0.226 257 G C 0.325 175.301 174.900 0.128 0.000 0.996 257 G CA -0.264 44.853 45.100 0.028 0.000 0.626 257 G HN 0.412 nan 8.290 nan 0.000 0.509 258 R N -0.057 120.491 120.500 0.080 0.000 2.543 258 R HA 0.472 4.806 4.340 -0.009 0.000 0.277 258 R C -0.135 176.183 176.300 0.030 0.000 1.074 258 R CA -0.496 55.641 56.100 0.061 0.000 1.076 258 R CB 0.948 31.261 30.300 0.022 0.000 0.993 258 R HN 0.223 nan 8.270 nan 0.000 0.459 259 L N 2.817 123.992 121.223 -0.079 0.000 2.268 259 L HA 0.302 4.637 4.340 -0.009 0.000 0.289 259 L C -0.432 176.303 176.870 -0.225 0.000 1.064 259 L CA 0.022 54.647 54.840 -0.358 0.000 0.824 259 L CB 0.764 42.527 42.059 -0.494 0.000 1.202 259 L HN 0.715 nan 8.230 nan 0.000 0.433 260 A N 5.211 127.929 122.820 -0.170 0.000 2.366 260 A HA 0.678 4.993 4.320 -0.009 0.000 0.272 260 A C -0.715 176.827 177.584 -0.071 0.000 1.135 260 A CA -0.369 51.664 52.037 -0.007 0.000 0.804 260 A CB 0.517 19.643 19.000 0.210 0.000 1.064 260 A HN 0.566 nan 8.150 nan 0.000 0.499 261 V N 3.245 123.183 119.914 0.041 0.000 2.686 261 V HA 0.392 4.507 4.120 -0.009 0.000 0.306 261 V C -0.578 175.683 176.094 0.279 0.000 1.065 261 V CA -0.561 61.770 62.300 0.052 0.000 0.894 261 V CB 1.900 33.636 31.823 -0.146 0.000 1.004 261 V HN 0.648 nan 8.190 nan 0.000 0.424 262 V N 3.756 123.869 119.914 0.333 0.000 2.357 262 V HA 0.879 4.994 4.120 -0.009 0.000 0.284 262 V C 0.316 176.618 176.094 0.347 0.000 1.018 262 V CA -0.216 62.290 62.300 0.343 0.000 0.841 262 V CB 1.388 33.409 31.823 0.330 0.000 0.991 262 V HN 1.052 nan 8.190 nan 0.000 0.437 263 A N 6.052 129.123 122.820 0.418 0.000 2.423 263 A HA 1.034 5.349 4.320 -0.009 0.000 0.304 263 A C -0.405 177.430 177.584 0.417 0.000 1.104 263 A CA -0.905 51.380 52.037 0.413 0.000 0.757 263 A CB 1.853 21.165 19.000 0.521 0.000 1.313 263 A HN 0.939 nan 8.150 nan 0.000 0.423 264 R N 0.045 120.754 120.500 0.347 0.000 2.836 264 R HA 0.874 5.209 4.340 -0.009 0.000 0.269 264 R C -1.154 175.235 176.300 0.150 0.000 1.010 264 R CA -1.039 55.238 56.100 0.295 0.000 0.930 264 R CB 1.727 32.114 30.300 0.144 0.000 1.218 264 R HN 0.865 nan 8.270 nan 0.000 0.473 265 R N -0.059 120.491 120.500 0.084 0.000 2.566 265 R HA 0.323 4.658 4.340 -0.009 0.000 0.271 265 R C -1.151 175.137 176.300 -0.021 0.000 1.071 265 R CA -1.098 54.955 56.100 -0.080 0.000 0.915 265 R CB 1.526 31.711 30.300 -0.191 0.000 1.228 265 R HN 0.859 nan 8.270 nan 0.000 0.449 266 E N 0.863 121.012 120.200 -0.085 0.000 2.476 266 E HA -0.264 4.081 4.350 -0.009 0.000 0.251 266 E C 0.491 177.216 176.600 0.209 0.000 1.130 266 E CA 0.867 57.351 56.400 0.139 0.000 0.736 266 E CB -1.437 28.403 29.700 0.234 0.000 1.298 266 E HN 1.189 nan 8.360 nan 0.000 0.400 267 G N -0.046 108.816 108.800 0.104 0.000 2.148 267 G HA2 -0.364 3.590 3.960 -0.009 0.000 0.254 267 G HA3 -0.364 3.590 3.960 -0.009 0.000 0.254 267 G C 0.090 175.042 174.900 0.087 0.000 0.981 267 G CA 0.538 45.723 45.100 0.141 0.000 0.670 267 G HN 0.283 nan 8.290 nan 0.000 0.528 268 R N 0.078 120.643 120.500 0.109 0.000 2.574 268 R HA 0.602 4.937 4.340 -0.009 0.000 0.288 268 R C 0.269 176.667 176.300 0.164 0.000 1.004 268 R CA 0.080 56.247 56.100 0.112 0.000 0.895 268 R CB 1.858 32.252 30.300 0.157 0.000 1.191 268 R HN 0.421 nan 8.270 nan 0.000 0.444 269 S N 1.288 117.060 115.700 0.120 0.000 2.758 269 S HA 0.913 5.377 4.470 -0.009 0.000 0.292 269 S C -0.540 174.202 174.600 0.238 0.000 1.131 269 S CA -0.656 57.669 58.200 0.207 0.000 0.997 269 S CB 2.125 65.433 63.200 0.181 0.000 1.111 269 S HN 0.690 nan 8.310 nan 0.000 0.552 270 A N 0.249 123.157 122.820 0.147 0.000 2.566 270 A HA 0.629 4.943 4.320 -0.009 0.000 0.297 270 A C -1.084 176.259 177.584 -0.401 0.000 1.059 270 A CA -0.723 51.192 52.037 -0.204 0.000 0.691 270 A CB 1.109 19.773 19.000 -0.560 0.000 1.282 270 A HN 0.959 nan 8.150 nan 0.000 0.401 271 V N 1.190 120.744 119.914 -0.600 0.000 2.567 271 V HA 0.694 4.809 4.120 -0.009 0.000 0.289 271 V C -0.847 174.782 176.094 -0.774 0.000 1.049 271 V CA -0.094 61.930 62.300 -0.460 0.000 0.969 271 V CB 0.814 32.436 31.823 -0.336 0.000 0.995 271 V HN 0.666 nan 8.190 nan 0.000 0.471 272 F N 3.775 123.704 119.950 -0.034 0.000 2.585 272 F HA 0.565 5.086 4.527 -0.009 0.000 0.319 272 F C -0.378 175.391 175.800 -0.052 0.000 1.165 272 F CA -0.642 57.339 58.000 -0.032 0.000 0.949 272 F CB 1.670 40.673 39.000 0.006 0.000 1.218 272 F HN 0.153 nan 8.300 nan 0.000 0.453 273 I N 3.720 124.350 120.570 0.102 0.000 2.354 273 I HA 0.219 4.383 4.170 -0.009 0.000 0.286 273 I C -0.228 175.910 176.117 0.035 0.000 1.007 273 I CA -0.458 60.867 61.300 0.042 0.000 1.167 273 I CB 1.084 39.095 38.000 0.019 0.000 1.320 273 I HN 0.637 nan 8.210 nan 0.000 0.458 274 D N 5.686 126.081 120.400 -0.008 0.000 2.708 274 D HA -0.191 4.444 4.640 -0.009 0.000 0.236 274 D C 1.296 177.598 176.300 0.003 0.000 1.146 274 D CA 1.528 55.516 54.000 -0.019 0.000 0.662 274 D CB -0.797 40.004 40.800 0.001 0.000 1.059 274 D HN 1.113 nan 8.370 nan 0.000 0.428 275 G N -0.378 108.426 108.800 0.007 0.000 2.225 275 G HA2 -0.357 3.597 3.960 -0.009 0.000 0.254 275 G HA3 -0.357 3.597 3.960 -0.009 0.000 0.254 275 G C 0.143 175.166 174.900 0.206 0.000 0.988 275 G CA 0.491 45.624 45.100 0.055 0.000 0.625 275 G HN 0.555 nan 8.290 nan 0.000 0.527 276 E N 0.483 120.802 120.200 0.198 0.000 2.197 276 E HA 0.524 4.868 4.350 -0.009 0.000 0.281 276 E C 0.575 177.302 176.600 0.212 0.000 0.995 276 E CA -0.996 55.520 56.400 0.194 0.000 0.808 276 E CB 0.674 30.429 29.700 0.092 0.000 1.093 276 E HN 0.266 nan 8.360 nan 0.000 0.394 277 R N 2.488 123.101 120.500 0.188 0.000 2.538 277 R HA 0.074 4.409 4.340 -0.009 0.000 0.282 277 R C -1.208 175.009 176.300 -0.138 0.000 1.009 277 R CA 0.200 56.247 56.100 -0.088 0.000 1.063 277 R CB 0.378 30.650 30.300 -0.047 0.000 0.945 277 R HN 0.194 nan 8.270 nan 0.000 0.414 278 V N 4.842 124.598 119.914 -0.264 0.000 2.495 278 V HA 0.252 4.366 4.120 -0.009 0.000 0.298 278 V C -0.164 175.787 176.094 -0.240 0.000 1.031 278 V CA -0.889 61.295 62.300 -0.193 0.000 0.871 278 V CB 1.728 33.454 31.823 -0.160 0.000 0.988 278 V HN 0.777 nan 8.190 nan 0.000 0.432 279 E N 2.795 122.894 120.200 -0.167 0.000 2.373 279 E HA 0.591 4.936 4.350 -0.009 0.000 0.267 279 E C -0.086 176.398 176.600 -0.194 0.000 1.032 279 E CA 0.123 56.429 56.400 -0.158 0.000 0.889 279 E CB 1.805 31.446 29.700 -0.097 0.000 0.984 279 E HN 0.844 nan 8.360 nan 0.000 0.425 280 A N 4.074 126.772 122.820 -0.203 0.000 2.572 280 A HA 0.594 4.908 4.320 -0.009 0.000 0.295 280 A C -2.598 174.910 177.584 -0.127 0.000 1.072 280 A CA -1.454 50.431 52.037 -0.253 0.000 0.691 280 A CB 1.103 19.745 19.000 -0.596 0.000 1.291 280 A HN 0.332 nan 8.150 nan 0.000 0.404 281 P HA 0.110 nan 4.420 nan 0.000 0.266 281 P C -0.463 176.789 177.300 -0.079 0.000 1.195 281 P CA 0.010 62.945 63.100 -0.276 0.000 0.768 281 P CB 0.383 31.630 31.700 -0.755 0.000 0.838 282 Q N 1.448 121.272 119.800 0.040 0.000 2.274 282 Q HA 0.364 4.699 4.340 -0.009 0.000 0.280 282 Q C 0.527 176.688 176.000 0.268 0.000 1.047 282 Q CA 0.890 56.778 55.803 0.142 0.000 0.907 282 Q CB -0.151 28.656 28.738 0.115 0.000 1.171 282 Q HN 0.772 nan 8.270 nan 0.000 0.381 283 G N 3.648 112.535 108.800 0.145 0.000 2.384 283 G HA2 -0.076 3.879 3.960 -0.009 0.000 0.150 283 G HA3 -0.076 3.879 3.960 -0.009 0.000 0.150 283 G C -1.363 173.410 174.900 -0.211 0.000 1.269 283 G CA -0.745 44.371 45.100 0.026 0.000 1.094 283 G HN 0.610 nan 8.290 nan 0.000 0.467 284 N N 0.233 118.727 118.700 -0.342 0.000 2.240 284 N HA 0.658 5.392 4.740 -0.009 0.000 0.302 284 N C -1.510 173.703 175.510 -0.496 0.000 1.106 284 N CA -0.351 52.444 53.050 -0.426 0.000 0.778 284 N CB 1.809 40.177 38.487 -0.198 0.000 1.431 284 N HN 0.605 nan 8.380 nan 0.000 0.479 285 H N -1.112 117.987 119.070 0.050 0.000 2.747 285 H HA 0.561 5.112 4.556 -0.008 0.000 0.371 285 H C 0.631 175.940 175.328 -0.031 0.000 1.161 285 H CA -0.864 55.196 56.048 0.021 0.000 1.167 285 H CB 1.745 31.518 29.762 0.018 0.000 1.732 285 H HN 0.597 nan 8.280 nan 0.000 0.544 286 G N 0.252 109.064 108.800 0.020 0.000 2.773 286 G HA2 0.230 4.185 3.960 -0.009 0.000 0.186 286 G HA3 0.230 4.185 3.960 -0.009 0.000 0.186 286 G C -0.331 174.372 174.900 -0.328 0.000 1.411 286 G CA -1.043 43.978 45.100 -0.132 0.000 1.054 286 G HN 0.756 nan 8.290 nan 0.000 0.579 287 R N -1.377 118.721 120.500 -0.669 0.000 2.738 287 R HA 0.417 4.752 4.340 -0.009 0.000 0.268 287 R C -1.062 174.753 176.300 -0.809 0.000 1.062 287 R CA -0.360 54.892 56.100 -1.413 0.000 1.158 287 R CB 0.659 30.090 30.300 -1.448 0.000 1.046 287 R HN 0.143 nan 8.270 nan 0.000 0.493 288 V N 2.484 121.899 119.914 -0.832 0.000 2.555 288 V HA 0.509 4.624 4.120 -0.009 0.000 0.302 288 V C 0.043 176.139 176.094 0.003 0.000 1.038 288 V CA -0.720 61.462 62.300 -0.195 0.000 0.887 288 V CB 1.387 33.239 31.823 0.048 0.000 0.991 288 V HN 0.763 nan 8.190 nan 0.000 0.434 289 V N 2.784 122.736 119.914 0.064 0.000 3.102 289 V HA 0.792 4.907 4.120 -0.009 0.000 0.312 289 V C -1.235 175.016 176.094 0.261 0.000 1.135 289 V CA -1.090 61.345 62.300 0.225 0.000 1.022 289 V CB 2.147 34.044 31.823 0.124 0.000 1.056 289 V HN 0.699 nan 8.190 nan 0.000 0.436 290 L N 3.349 124.806 121.223 0.389 0.000 2.280 290 L HA 0.724 5.059 4.340 -0.009 0.000 0.287 290 L C -1.288 175.827 176.870 0.409 0.000 1.023 290 L CA -0.214 54.807 54.840 0.301 0.000 0.819 290 L CB 1.060 43.219 42.059 0.166 0.000 1.212 290 L HN 0.958 nan 8.230 nan 0.000 0.420 291 W N 7.030 128.402 121.300 0.119 0.000 2.463 291 W HA 0.507 5.162 4.660 -0.008 0.000 0.316 291 W C 0.247 176.806 176.519 0.067 0.000 1.004 291 W CA -0.806 56.599 57.345 0.100 0.000 1.309 291 W CB 0.635 30.142 29.460 0.079 0.000 1.288 291 W HN 0.677 nan 8.180 nan 0.000 0.423 292 R N 4.528 124.838 120.500 -0.317 0.000 3.422 292 R HA -0.200 4.135 4.340 -0.009 0.000 0.267 292 R C 1.196 177.380 176.300 -0.193 0.000 1.074 292 R CA 1.345 57.213 56.100 -0.386 0.000 0.718 292 R CB -1.546 28.301 30.300 -0.754 0.000 1.157 292 R HN 1.369 nan 8.270 nan 0.000 0.440 293 G N -0.849 107.909 108.800 -0.070 0.000 2.205 293 G HA2 -0.374 3.581 3.960 -0.009 0.000 0.261 293 G HA3 -0.374 3.581 3.960 -0.009 0.000 0.261 293 G C 0.041 174.943 174.900 0.004 0.000 0.980 293 G CA 0.880 45.962 45.100 -0.031 0.000 0.632 293 G HN 0.415 nan 8.290 nan 0.000 0.533 294 K N -0.061 120.359 120.400 0.034 0.000 2.208 294 K HA 0.762 5.077 4.320 -0.009 0.000 0.247 294 K C 0.138 176.817 176.600 0.132 0.000 0.953 294 K CA -0.994 55.337 56.287 0.074 0.000 0.837 294 K CB 1.946 34.498 32.500 0.088 0.000 1.131 294 K HN 0.121 nan 8.250 nan 0.000 0.431 295 L N 1.589 122.867 121.223 0.092 0.000 2.371 295 L HA 0.395 4.729 4.340 -0.009 0.000 0.272 295 L C -0.533 176.387 176.870 0.083 0.000 1.124 295 L CA -0.692 54.197 54.840 0.082 0.000 0.816 295 L CB 0.990 43.066 42.059 0.027 0.000 1.129 295 L HN 0.284 nan 8.230 nan 0.000 0.448 296 V N 1.660 121.612 119.914 0.063 0.000 2.711 296 V HA 0.535 4.650 4.120 -0.009 0.000 0.304 296 V C -0.323 175.738 176.094 -0.055 0.000 1.097 296 V CA -0.412 61.893 62.300 0.008 0.000 0.906 296 V CB 2.189 34.023 31.823 0.017 0.000 1.015 296 V HN 0.871 nan 8.190 nan 0.000 0.427 297 T N 2.109 116.612 114.554 -0.085 0.000 2.812 297 T HA 0.642 4.987 4.350 -0.009 0.000 0.294 297 T C -0.349 174.306 174.700 -0.075 0.000 1.159 297 T CA 0.113 62.151 62.100 -0.104 0.000 1.008 297 T CB 2.038 70.847 68.868 -0.098 0.000 1.289 297 T HN 0.971 nan 8.240 nan 0.000 0.514 298 S N 1.336 117.000 115.700 -0.060 0.000 2.610 298 S HA 0.542 5.007 4.470 -0.009 0.000 0.273 298 S C -0.571 174.101 174.600 0.119 0.000 1.274 298 S CA -0.635 57.557 58.200 -0.013 0.000 1.023 298 S CB 0.773 63.940 63.200 -0.054 0.000 0.962 298 S HN 0.858 nan 8.310 nan 0.000 0.523 299 H N -0.099 118.970 119.070 -0.001 0.000 2.806 299 H HA 0.596 5.147 4.556 -0.009 0.000 0.367 299 H C -1.341 173.965 175.328 -0.036 0.000 1.136 299 H CA -0.377 55.687 56.048 0.027 0.000 1.178 299 H CB 2.238 32.046 29.762 0.077 0.000 1.718 299 H HN 0.799 nan 8.280 nan 0.000 0.540 300 T N 1.811 115.910 114.554 -0.758 0.000 2.816 300 T HA 0.524 4.868 4.350 -0.009 0.000 0.299 300 T C -1.441 172.892 174.700 -0.612 0.000 1.230 300 T CA -0.028 61.705 62.100 -0.612 0.000 1.007 300 T CB 1.401 70.130 68.868 -0.232 0.000 1.289 300 T HN 0.854 nan 8.240 nan 0.000 0.508 301 S N 1.212 116.754 115.700 -0.264 0.000 2.661 301 S HA 0.435 4.899 4.470 -0.009 0.000 0.268 301 S C 0.524 175.175 174.600 0.085 0.000 1.162 301 S CA -0.791 57.354 58.200 -0.093 0.000 0.817 301 S CB 0.305 63.484 63.200 -0.035 0.000 1.141 301 S HN 0.603 nan 8.310 nan 0.000 0.477 302 L N 1.651 122.906 121.223 0.053 0.000 2.275 302 L HA 0.045 4.380 4.340 -0.009 0.000 0.215 302 L C 2.345 179.349 176.870 0.223 0.000 1.119 302 L CA 1.497 56.370 54.840 0.054 0.000 0.790 302 L CB -0.362 41.690 42.059 -0.012 0.000 0.919 302 L HN 0.888 nan 8.230 nan 0.000 0.443 303 S N -3.431 112.422 115.700 0.256 0.000 2.539 303 S HA 0.131 4.596 4.470 -0.009 0.000 0.221 303 S C 0.563 175.309 174.600 0.243 0.000 0.987 303 S CA -0.403 57.976 58.200 0.298 0.000 0.929 303 S CB 0.321 63.623 63.200 0.171 0.000 0.832 303 S HN 0.139 nan 8.310 nan 0.000 0.492 304 T N 4.408 119.080 114.554 0.196 0.000 2.985 304 T HA 0.465 4.810 4.350 -0.009 0.000 0.315 304 T C -3.117 171.393 174.700 -0.318 0.000 1.001 304 T CA -1.211 60.829 62.100 -0.100 0.000 1.016 304 T CB 1.775 70.599 68.868 -0.072 0.000 0.993 304 T HN 0.016 nan 8.240 nan 0.000 0.454 305 P HA 0.170 nan 4.420 nan 0.000 0.267 305 P C -2.539 174.489 177.300 -0.453 0.000 1.200 305 P CA -1.133 61.325 63.100 -1.071 0.000 0.772 305 P CB -0.353 30.637 31.700 -1.183 0.000 0.855 306 P HA -0.004 nan 4.420 nan 0.000 0.263 306 P C -0.260 176.992 177.300 -0.081 0.000 1.175 306 P CA 0.789 63.790 63.100 -0.164 0.000 0.761 306 P CB 0.276 31.902 31.700 -0.122 0.000 0.794 307 R N 1.894 122.373 120.500 -0.036 0.000 2.734 307 R HA 0.671 5.005 4.340 -0.009 0.000 0.271 307 R C -1.294 174.975 176.300 -0.051 0.000 1.021 307 R CA -1.022 55.076 56.100 -0.003 0.000 0.893 307 R CB 0.954 31.236 30.300 -0.030 0.000 1.244 307 R HN 0.064 nan 8.270 nan 0.000 0.464 308 I N 2.460 122.933 120.570 -0.163 0.000 2.336 308 I HA 0.428 4.592 4.170 -0.009 0.000 0.292 308 I C 0.308 176.310 176.117 -0.191 0.000 0.991 308 I CA -0.863 60.311 61.300 -0.211 0.000 1.227 308 I CB 1.154 38.931 38.000 -0.371 0.000 1.366 308 I HN 0.627 nan 8.210 nan 0.000 0.466 309 V N 2.648 122.491 119.914 -0.119 0.000 3.040 309 V HA 0.714 4.829 4.120 -0.009 0.000 0.312 309 V C -0.094 175.957 176.094 -0.072 0.000 1.115 309 V CA -0.706 61.540 62.300 -0.090 0.000 0.998 309 V CB 1.874 33.664 31.823 -0.054 0.000 1.042 309 V HN 0.735 nan 8.190 nan 0.000 0.433 310 S N 2.202 117.878 115.700 -0.039 0.000 2.601 310 S HA 0.773 5.237 4.470 -0.009 0.000 0.271 310 S C -0.551 174.030 174.600 -0.032 0.000 1.305 310 S CA -0.510 57.691 58.200 0.002 0.000 1.022 310 S CB 0.236 63.465 63.200 0.047 0.000 0.940 310 S HN 0.720 nan 8.310 nan 0.000 0.525 311 L N 4.203 125.410 121.223 -0.027 0.000 2.370 311 L HA 0.502 4.836 4.340 -0.009 0.000 0.266 311 L C -1.661 175.188 176.870 -0.035 0.000 1.002 311 L CA -1.834 52.970 54.840 -0.060 0.000 0.818 311 L CB 2.209 44.209 42.059 -0.099 0.000 1.325 311 L HN 0.537 nan 8.230 nan 0.000 0.418 312 P HA 0.009 nan 4.420 nan 0.000 0.255 312 P C 1.130 178.392 177.300 -0.064 0.000 1.248 312 P CA 0.271 63.329 63.100 -0.070 0.000 0.807 312 P CB 0.504 32.167 31.700 -0.062 0.000 1.150 313 S N 0.111 115.785 115.700 -0.044 0.000 2.382 313 S HA 0.042 4.507 4.470 -0.009 0.000 0.228 313 S C 1.841 176.411 174.600 -0.050 0.000 1.027 313 S CA 1.313 59.491 58.200 -0.037 0.000 0.991 313 S CB -1.687 61.502 63.200 -0.019 0.000 0.823 313 S HN 0.304 nan 8.310 nan 0.000 0.469 314 G N 0.812 109.575 108.800 -0.062 0.000 2.132 314 G HA2 -0.177 3.777 3.960 -0.009 0.000 0.234 314 G HA3 -0.177 3.777 3.960 -0.009 0.000 0.234 314 G C -0.291 174.576 174.900 -0.056 0.000 0.989 314 G CA 0.079 45.130 45.100 -0.081 0.000 0.676 314 G HN 0.535 nan 8.290 nan 0.000 0.522 315 E N 1.232 121.411 120.200 -0.035 0.000 2.373 315 E HA 0.329 4.674 4.350 -0.009 0.000 0.267 315 E C -2.159 174.418 176.600 -0.037 0.000 1.032 315 E CA -1.452 54.934 56.400 -0.024 0.000 0.889 315 E CB 1.288 30.986 29.700 -0.004 0.000 0.984 315 E HN 0.317 nan 8.360 nan 0.000 0.425 316 P HA 0.190 nan 4.420 nan 0.000 0.292 316 P C 0.396 177.618 177.300 -0.131 0.000 1.287 316 P CA -0.207 62.838 63.100 -0.092 0.000 0.800 316 P CB 0.923 32.574 31.700 -0.081 0.000 0.945 317 L N 2.295 123.372 121.223 -0.243 0.000 2.354 317 L HA 0.304 4.639 4.340 -0.009 0.000 0.212 317 L C 0.913 177.387 176.870 -0.659 0.000 1.091 317 L CA 0.655 55.249 54.840 -0.409 0.000 0.828 317 L CB -0.151 41.541 42.059 -0.611 0.000 0.973 317 L HN 0.299 nan 8.230 nan 0.000 0.461 318 L N 0.938 121.797 121.223 -0.606 0.000 2.617 318 L HA 0.355 4.690 4.340 -0.009 0.000 0.259 318 L C -1.008 175.590 176.870 -0.453 0.000 0.995 318 L CA -0.059 54.351 54.840 -0.717 0.000 0.899 318 L CB 2.521 43.858 42.059 -1.204 0.000 1.181 318 L HN 0.040 nan 8.230 nan 0.000 0.437 319 E N 1.848 121.906 120.200 -0.237 0.000 2.210 319 E HA 0.569 4.914 4.350 -0.009 0.000 0.266 319 E C -0.142 176.466 176.600 0.013 0.000 0.883 319 E CA -0.663 55.691 56.400 -0.075 0.000 0.761 319 E CB 2.094 31.747 29.700 -0.079 0.000 1.156 319 E HN 0.582 nan 8.360 nan 0.000 0.412 320 G N 2.681 111.521 108.800 0.067 0.000 2.356 320 G HA2 0.394 4.349 3.960 -0.009 0.000 0.300 320 G HA3 0.394 4.349 3.960 -0.009 0.000 0.300 320 G C 0.233 175.085 174.900 -0.079 0.000 1.107 320 G CA -0.299 44.799 45.100 -0.002 0.000 0.960 320 G HN 0.513 nan 8.290 nan 0.000 0.418 321 G N 1.909 110.673 108.800 -0.059 0.000 2.346 321 G HA2 0.344 4.299 3.960 -0.009 0.000 0.275 321 G HA3 0.344 4.299 3.960 -0.009 0.000 0.275 321 G C 0.102 174.955 174.900 -0.078 0.000 1.190 321 G CA -0.421 44.641 45.100 -0.063 0.000 1.015 321 G HN 0.682 nan 8.290 nan 0.000 0.441 322 L N 5.963 127.122 121.223 -0.106 0.000 2.456 322 L HA 0.345 4.679 4.340 -0.009 0.000 0.277 322 L C -1.711 175.143 176.870 -0.027 0.000 1.124 322 L CA -1.505 53.279 54.840 -0.094 0.000 0.880 322 L CB 0.357 42.330 42.059 -0.144 0.000 1.192 322 L HN 0.267 nan 8.230 nan 0.000 0.463 323 P HA -0.028 nan 4.420 nan 0.000 0.266 323 P C 0.252 177.568 177.300 0.027 0.000 1.186 323 P CA 0.065 63.173 63.100 0.012 0.000 0.767 323 P CB 0.660 32.373 31.700 0.021 0.000 0.820 324 E N 2.064 122.280 120.200 0.026 0.000 2.106 324 E HA -0.213 4.132 4.350 -0.009 0.000 0.192 324 E C 1.373 177.998 176.600 0.042 0.000 0.984 324 E CA 1.747 58.166 56.400 0.033 0.000 0.806 324 E CB -0.474 29.242 29.700 0.027 0.000 0.750 324 E HN 0.540 nan 8.360 nan 0.000 0.458 325 D N 0.235 120.659 120.400 0.040 0.000 2.144 325 D HA -0.212 4.423 4.640 -0.009 0.000 0.199 325 D C 2.019 178.353 176.300 0.057 0.000 0.984 325 D CA 0.918 54.944 54.000 0.044 0.000 0.834 325 D CB -0.508 40.315 40.800 0.038 0.000 0.955 325 D HN 0.335 nan 8.370 nan 0.000 0.465 326 L N -0.240 121.023 121.223 0.067 0.000 2.156 326 L HA 0.003 4.338 4.340 -0.009 0.000 0.208 326 L C 3.033 179.970 176.870 0.112 0.000 1.095 326 L CA 0.466 55.362 54.840 0.093 0.000 0.770 326 L CB -0.268 41.856 42.059 0.109 0.000 0.914 326 L HN -0.070 nan 8.230 nan 0.000 0.439 327 R N 0.195 120.754 120.500 0.098 0.000 2.081 327 R HA -0.183 4.152 4.340 -0.009 0.000 0.235 327 R C 2.677 179.032 176.300 0.092 0.000 1.131 327 R CA 1.815 57.978 56.100 0.104 0.000 0.960 327 R CB -0.258 30.089 30.300 0.078 0.000 0.856 327 R HN 0.313 nan 8.270 nan 0.000 0.436 328 R N 0.520 121.064 120.500 0.074 0.000 2.235 328 R HA -0.056 4.279 4.340 -0.009 0.000 0.213 328 R C 1.884 178.225 176.300 0.068 0.000 1.059 328 R CA 1.595 57.734 56.100 0.065 0.000 0.997 328 R CB -1.162 29.170 30.300 0.053 0.000 0.884 328 R HN 0.504 nan 8.270 nan 0.000 0.462 329 S N -0.357 115.387 115.700 0.074 0.000 2.481 329 S HA 0.110 4.575 4.470 -0.009 0.000 0.231 329 S C 0.827 175.476 174.600 0.081 0.000 0.996 329 S CA 0.338 58.580 58.200 0.071 0.000 0.942 329 S CB -0.323 62.920 63.200 0.071 0.000 0.768 329 S HN 0.504 nan 8.310 nan 0.000 0.520 330 I N 1.953 122.578 120.570 0.092 0.000 2.307 330 I HA 0.361 4.526 4.170 -0.009 0.000 0.287 330 I C 1.223 177.399 176.117 0.098 0.000 1.054 330 I CA -0.413 60.947 61.300 0.099 0.000 1.218 330 I CB 1.218 39.279 38.000 0.101 0.000 1.398 330 I HN 0.246 nan 8.210 nan 0.000 0.475 331 A N 4.909 127.791 122.820 0.104 0.000 2.066 331 A HA 0.434 4.748 4.320 -0.009 0.000 0.218 331 A C 1.119 178.757 177.584 0.090 0.000 1.157 331 A CA 1.112 53.205 52.037 0.094 0.000 0.670 331 A CB -0.138 18.923 19.000 0.101 0.000 0.804 331 A HN 0.777 nan 8.150 nan 0.000 0.453 332 G N -2.312 106.548 108.800 0.100 0.000 2.349 332 G HA2 0.517 4.471 3.960 -0.009 0.000 0.294 332 G HA3 0.517 4.471 3.960 -0.009 0.000 0.294 332 G C -0.975 173.989 174.900 0.108 0.000 1.380 332 G CA 0.218 45.375 45.100 0.095 0.000 0.811 332 G HN 1.248 nan 8.290 nan 0.000 0.519 333 S N -0.827 114.937 115.700 0.108 0.000 2.543 333 S HA 0.846 5.311 4.470 -0.009 0.000 0.273 333 S C -0.908 173.755 174.600 0.106 0.000 1.152 333 S CA -0.884 57.393 58.200 0.128 0.000 0.910 333 S CB 2.232 65.527 63.200 0.158 0.000 1.105 333 S HN 0.909 nan 8.310 nan 0.000 0.465 334 R N 0.705 121.250 120.500 0.074 0.000 2.795 334 R HA 0.644 4.979 4.340 -0.009 0.000 0.275 334 R C -1.625 174.548 176.300 -0.211 0.000 0.981 334 R CA -1.042 55.050 56.100 -0.013 0.000 0.917 334 R CB 1.590 31.900 30.300 0.017 0.000 1.202 334 R HN 0.574 nan 8.270 nan 0.000 0.469 335 L N 2.898 123.922 121.223 -0.331 0.000 2.264 335 L HA 0.486 4.821 4.340 -0.009 0.000 0.289 335 L C -0.654 175.969 176.870 -0.413 0.000 1.044 335 L CA -0.364 54.107 54.840 -0.614 0.000 0.807 335 L CB 1.482 43.179 42.059 -0.604 0.000 1.192 335 L HN 0.527 nan 8.230 nan 0.000 0.425 336 V N 1.891 121.465 119.914 -0.567 0.000 2.960 336 V HA 0.697 4.812 4.120 -0.009 0.000 0.315 336 V C -1.450 174.233 176.094 -0.685 0.000 1.087 336 V CA -0.790 61.232 62.300 -0.464 0.000 0.982 336 V CB 1.805 33.314 31.823 -0.523 0.000 1.039 336 V HN 0.799 nan 8.190 nan 0.000 0.437 337 W N 1.989 123.081 121.300 -0.347 0.000 2.338 337 W HA 0.704 5.359 4.660 -0.008 0.000 0.315 337 W C -0.502 175.845 176.519 -0.288 0.000 1.005 337 W CA -0.713 56.449 57.345 -0.304 0.000 1.380 337 W CB 1.593 30.919 29.460 -0.224 0.000 1.235 337 W HN 0.502 nan 8.180 nan 0.000 0.409 338 V N 2.883 122.688 119.914 -0.182 0.000 2.461 338 V HA 0.069 4.184 4.120 -0.009 0.000 0.275 338 V C 0.468 176.577 176.094 0.025 0.000 1.047 338 V CA -0.862 61.357 62.300 -0.134 0.000 0.955 338 V CB 1.068 32.792 31.823 -0.165 0.000 0.988 338 V HN 0.495 nan 8.190 nan 0.000 0.471 339 E N 4.154 124.401 120.200 0.077 0.000 2.265 339 E HA 0.229 4.574 4.350 -0.009 0.000 0.272 339 E C 0.174 176.849 176.600 0.124 0.000 1.067 339 E CA 0.032 56.486 56.400 0.089 0.000 0.900 339 E CB 0.781 30.533 29.700 0.085 0.000 1.017 339 E HN 0.714 nan 8.360 nan 0.000 0.431 340 S N 3.183 118.964 115.700 0.135 0.000 2.666 340 S HA 0.185 4.650 4.470 -0.009 0.000 0.279 340 S C 0.798 175.507 174.600 0.181 0.000 1.149 340 S CA -0.431 57.898 58.200 0.214 0.000 1.020 340 S CB 0.173 63.555 63.200 0.302 0.000 1.127 340 S HN 0.629 nan 8.310 nan 0.000 0.537 341 F N 0.847 120.859 119.950 0.103 0.000 2.408 341 F HA 0.112 4.633 4.527 -0.010 0.000 0.300 341 F C 1.161 177.005 175.800 0.073 0.000 1.090 341 F CA 1.187 59.233 58.000 0.077 0.000 1.427 341 F CB -0.160 38.880 39.000 0.066 0.000 1.070 341 F HN 0.496 nan 8.300 nan 0.000 0.549 342 D N -1.055 118.902 120.400 -0.737 0.000 2.535 342 D HA 0.244 4.879 4.640 -0.009 0.000 0.229 342 D C 1.612 177.757 176.300 -0.258 0.000 1.238 342 D CA 0.237 53.859 54.000 -0.630 0.000 0.824 342 D CB 0.148 40.345 40.800 -1.005 0.000 1.045 342 D HN 0.402 nan 8.370 nan 0.000 0.500 343 G N 0.257 108.976 108.800 -0.136 0.000 2.225 343 G HA2 -0.289 3.665 3.960 -0.009 0.000 0.254 343 G HA3 -0.289 3.665 3.960 -0.009 0.000 0.254 343 G C 0.455 175.338 174.900 -0.027 0.000 0.988 343 G CA 0.211 45.277 45.100 -0.056 0.000 0.625 343 G HN 0.419 nan 8.290 nan 0.000 0.527 344 S N 0.723 116.417 115.700 -0.009 0.000 2.573 344 S HA 0.469 4.934 4.470 -0.009 0.000 0.277 344 S C 0.659 175.273 174.600 0.023 0.000 1.346 344 S CA 0.015 58.246 58.200 0.053 0.000 1.034 344 S CB 0.726 64.086 63.200 0.266 0.000 0.879 344 S HN 0.497 nan 8.310 nan 0.000 0.528 345 R N 1.395 121.853 120.500 -0.070 0.000 2.265 345 R HA 0.381 4.716 4.340 -0.009 0.000 0.328 345 R C -1.316 174.892 176.300 -0.153 0.000 0.969 345 R CA -0.509 55.577 56.100 -0.024 0.000 0.832 345 R CB 1.095 31.424 30.300 0.049 0.000 1.139 345 R HN 0.326 nan 8.270 nan 0.000 0.457 346 V N 5.858 125.712 119.914 -0.101 0.000 2.334 346 V HA 0.190 4.305 4.120 -0.009 0.000 0.267 346 V C -1.861 173.980 176.094 -0.421 0.000 1.040 346 V CA -2.024 60.166 62.300 -0.183 0.000 0.866 346 V CB 0.877 32.741 31.823 0.068 0.000 1.019 346 V HN 0.612 nan 8.190 nan 0.000 0.468 347 P HA 0.198 nan 4.420 nan 0.000 0.271 347 P C -0.286 176.573 177.300 -0.735 0.000 1.233 347 P CA 0.213 62.552 63.100 -1.269 0.000 0.764 347 P CB 0.562 31.165 31.700 -1.828 0.000 0.825 348 T N 3.932 118.060 114.554 -0.711 0.000 2.881 348 T HA 0.304 4.649 4.350 -0.009 0.000 0.291 348 T C -0.672 173.785 174.700 -0.406 0.000 0.990 348 T CA -0.186 61.667 62.100 -0.412 0.000 0.976 348 T CB 0.357 68.973 68.868 -0.420 0.000 0.970 348 T HN 0.127 nan 8.240 nan 0.000 0.438 349 Y N 1.904 122.099 120.300 -0.174 0.000 2.299 349 Y HA 0.523 5.066 4.550 -0.011 0.000 0.326 349 Y C 0.207 176.085 175.900 -0.037 0.000 1.164 349 Y CA -0.257 57.783 58.100 -0.100 0.000 1.234 349 Y CB 1.029 39.459 38.460 -0.051 0.000 1.219 349 Y HN 0.307 nan 8.280 nan 0.000 0.497 350 V N 5.719 125.710 119.914 0.128 0.000 2.577 350 V HA 0.338 4.452 4.120 -0.009 0.000 0.303 350 V C -0.665 175.531 176.094 0.170 0.000 1.042 350 V CA -1.035 61.356 62.300 0.152 0.000 0.872 350 V CB 1.737 33.654 31.823 0.157 0.000 0.998 350 V HN 0.554 nan 8.190 nan 0.000 0.423 351 L N 3.946 125.276 121.223 0.178 0.000 2.296 351 L HA 0.588 4.923 4.340 -0.009 0.000 0.286 351 L C -0.170 176.827 176.870 0.212 0.000 1.023 351 L CA -0.583 54.357 54.840 0.167 0.000 0.812 351 L CB 1.968 44.109 42.059 0.138 0.000 1.223 351 L HN 0.630 nan 8.230 nan 0.000 0.421 352 E N 1.556 121.870 120.200 0.190 0.000 2.249 352 E HA 0.231 4.575 4.350 -0.009 0.000 0.280 352 E C -0.407 176.387 176.600 0.325 0.000 1.016 352 E CA -0.149 56.415 56.400 0.274 0.000 0.830 352 E CB 1.715 31.471 29.700 0.094 0.000 1.081 352 E HN 0.398 nan 8.360 nan 0.000 0.395 353 S N 1.652 117.629 115.700 0.461 0.000 2.545 353 S HA 0.333 4.798 4.470 -0.009 0.000 0.275 353 S C 1.205 175.892 174.600 0.145 0.000 1.299 353 S CA -0.250 58.049 58.200 0.165 0.000 1.048 353 S CB 0.851 64.028 63.200 -0.038 0.000 0.938 353 S HN 0.673 nan 8.310 nan 0.000 0.496 354 G N 3.601 112.458 108.800 0.094 0.000 2.650 354 G HA2 -0.009 3.946 3.960 -0.009 0.000 0.214 354 G HA3 -0.009 3.946 3.960 -0.009 0.000 0.214 354 G C 1.120 176.043 174.900 0.038 0.000 1.136 354 G CA -0.057 45.087 45.100 0.073 0.000 0.789 354 G HN 0.741 nan 8.290 nan 0.000 0.536 355 R N -0.096 120.408 120.500 0.006 0.000 2.466 355 R HA 0.511 4.845 4.340 -0.009 0.000 0.279 355 R C 0.422 176.668 176.300 -0.090 0.000 0.976 355 R CA 0.014 56.094 56.100 -0.033 0.000 1.081 355 R CB 0.698 30.976 30.300 -0.036 0.000 1.215 355 R HN 0.261 nan 8.270 nan 0.000 0.546 356 A N 1.469 124.231 122.820 -0.097 0.000 2.386 356 A HA 0.694 5.009 4.320 -0.009 0.000 0.308 356 A C -2.471 175.109 177.584 -0.006 0.000 1.128 356 A CA -1.692 50.247 52.037 -0.162 0.000 0.789 356 A CB 1.025 19.730 19.000 -0.493 0.000 1.325 356 A HN -0.079 nan 8.150 nan 0.000 0.437 357 P HA 0.530 nan 4.420 nan 0.000 0.278 357 P C -0.811 176.615 177.300 0.211 0.000 1.266 357 P CA -0.149 63.002 63.100 0.085 0.000 0.807 357 P CB 1.067 32.789 31.700 0.038 0.000 1.094 358 T N 1.575 116.209 114.554 0.133 0.000 2.864 358 T HA 0.411 4.756 4.350 -0.009 0.000 0.299 358 T C -2.124 172.595 174.700 0.032 0.000 1.011 358 T CA -0.834 61.319 62.100 0.089 0.000 0.975 358 T CB 0.711 69.587 68.868 0.012 0.000 0.962 358 T HN 0.414 nan 8.240 nan 0.000 0.448 359 P HA 0.665 nan 4.420 nan 0.000 0.274 359 P C -0.099 177.271 177.300 0.117 0.000 1.246 359 P CA -0.286 62.841 63.100 0.045 0.000 0.795 359 P CB 0.968 32.670 31.700 0.004 0.000 1.006 360 G N -0.275 108.646 108.800 0.203 0.000 2.645 360 G HA2 0.529 4.483 3.960 -0.009 0.000 0.292 360 G HA3 0.529 4.483 3.960 -0.009 0.000 0.292 360 G C -3.338 171.669 174.900 0.178 0.000 1.415 360 G CA -1.258 43.944 45.100 0.170 0.000 0.785 360 G HN 0.233 nan 8.290 nan 0.000 0.483 361 P HA 0.343 nan 4.420 nan 0.000 0.267 361 P C -0.504 177.003 177.300 0.345 0.000 1.205 361 P CA 0.388 63.627 63.100 0.232 0.000 0.765 361 P CB 1.072 32.876 31.700 0.172 0.000 0.828 362 T N 2.289 117.103 114.554 0.432 0.000 2.916 362 T HA 0.423 4.768 4.350 -0.009 0.000 0.298 362 T C -0.715 174.231 174.700 0.411 0.000 1.031 362 T CA -0.441 61.902 62.100 0.405 0.000 0.993 362 T CB 1.140 70.201 68.868 0.322 0.000 1.045 362 T HN -0.046 nan 8.240 nan 0.000 0.454 363 V N 2.916 123.022 119.914 0.320 0.000 2.448 363 V HA 0.408 4.523 4.120 -0.009 0.000 0.295 363 V C 0.032 176.242 176.094 0.193 0.000 1.025 363 V CA -0.913 61.515 62.300 0.214 0.000 0.859 363 V CB 1.831 33.660 31.823 0.011 0.000 0.988 363 V HN 0.741 nan 8.190 nan 0.000 0.431 364 V N 6.200 126.225 119.914 0.186 0.000 2.356 364 V HA 0.184 4.299 4.120 -0.009 0.000 0.258 364 V C 0.026 176.166 176.094 0.076 0.000 1.065 364 V CA -0.136 62.269 62.300 0.175 0.000 0.935 364 V CB 0.916 32.895 31.823 0.260 0.000 1.061 364 V HN 0.635 nan 8.190 nan 0.000 0.484 365 L N 7.837 129.123 121.223 0.104 0.000 2.295 365 L HA 0.388 4.723 4.340 -0.009 0.000 0.288 365 L C -0.035 176.922 176.870 0.144 0.000 1.079 365 L CA 0.480 55.375 54.840 0.091 0.000 0.830 365 L CB 1.083 43.201 42.059 0.098 0.000 1.200 365 L HN 0.398 nan 8.230 nan 0.000 0.438 366 V N 5.480 125.467 119.914 0.123 0.000 2.364 366 V HA 0.237 4.352 4.120 -0.009 0.000 0.272 366 V C 0.074 176.306 176.094 0.231 0.000 1.036 366 V CA -0.771 61.625 62.300 0.160 0.000 0.880 366 V CB 0.454 32.312 31.823 0.057 0.000 0.991 366 V HN 0.918 nan 8.190 nan 0.000 0.460 367 H N 2.822 122.097 119.070 0.342 0.000 2.757 367 H HA 0.608 5.158 4.556 -0.009 0.000 0.370 367 H C 0.570 176.145 175.328 0.412 0.000 1.172 367 H CA 0.238 56.468 56.048 0.304 0.000 1.426 367 H CB 0.637 30.515 29.762 0.193 0.000 1.438 367 H HN 0.658 nan 8.280 nan 0.000 0.612 368 G N -0.491 108.616 108.800 0.512 0.000 2.525 368 G HA2 0.509 4.464 3.960 -0.009 0.000 0.287 368 G HA3 0.509 4.464 3.960 -0.009 0.000 0.287 368 G C 0.462 175.648 174.900 0.477 0.000 1.350 368 G CA -0.480 44.912 45.100 0.487 0.000 1.039 368 G HN 1.258 nan 8.290 nan 0.000 0.513 369 G N -0.831 108.173 108.800 0.340 0.000 1.676 369 G HA2 -0.107 3.848 3.960 -0.009 0.000 0.199 369 G HA3 -0.107 3.848 3.960 -0.009 0.000 0.199 369 G C -1.369 173.535 174.900 0.005 0.000 1.990 369 G CA 0.557 45.760 45.100 0.171 0.000 1.393 369 G HN 0.766 nan 8.290 nan 0.000 0.449 370 P HA 0.266 nan 4.420 nan 0.000 0.249 370 P C 0.233 177.569 177.300 0.059 0.000 1.229 370 P CA 0.079 63.064 63.100 -0.192 0.000 0.788 370 P CB -0.263 31.098 31.700 -0.566 0.000 1.072 371 F N 1.374 121.409 119.950 0.141 0.000 2.678 371 F HA 0.409 4.931 4.527 -0.009 0.000 0.358 371 F C 1.210 177.053 175.800 0.071 0.000 1.256 371 F CA -0.687 57.387 58.000 0.122 0.000 1.278 371 F CB -0.163 38.937 39.000 0.166 0.000 1.681 371 F HN 0.032 nan 8.300 nan 0.000 0.661 372 A N 2.300 125.234 122.820 0.190 0.000 2.529 372 A HA 0.801 5.116 4.320 -0.009 0.000 0.296 372 A C -1.062 176.311 177.584 -0.352 0.000 1.205 372 A CA -0.764 51.257 52.037 -0.027 0.000 0.671 372 A CB 2.076 21.078 19.000 0.003 0.000 1.301 372 A HN 0.484 nan 8.150 nan 0.000 0.450 373 E N 0.385 120.315 120.200 -0.449 0.000 2.392 373 E HA 0.427 4.772 4.350 -0.009 0.000 0.279 373 E C -1.926 174.461 176.600 -0.355 0.000 0.964 373 E CA -0.772 55.338 56.400 -0.483 0.000 0.777 373 E CB 1.730 31.374 29.700 -0.094 0.000 1.249 373 E HN 0.416 nan 8.360 nan 0.000 0.449 374 D N 2.010 122.290 120.400 -0.199 0.000 2.316 374 D HA 0.255 4.890 4.640 -0.009 0.000 0.245 374 D C -0.405 175.814 176.300 -0.135 0.000 1.171 374 D CA 0.230 54.181 54.000 -0.081 0.000 0.856 374 D CB 1.558 42.416 40.800 0.095 0.000 1.090 374 D HN 0.512 nan 8.370 nan 0.000 0.476 375 S N 1.027 116.502 115.700 -0.376 0.000 2.811 375 S HA 0.258 4.723 4.470 -0.009 0.000 0.311 375 S C -0.363 173.701 174.600 -0.893 0.000 1.152 375 S CA -0.965 56.904 58.200 -0.551 0.000 0.864 375 S CB 1.873 64.939 63.200 -0.223 0.000 1.226 375 S HN 0.130 nan 8.310 nan 0.000 0.541 376 D N 1.201 121.204 120.400 -0.662 0.000 2.541 376 D HA 0.481 5.116 4.640 -0.009 0.000 0.231 376 D C -0.814 175.346 176.300 -0.232 0.000 1.163 376 D CA 0.591 54.371 54.000 -0.366 0.000 1.077 376 D CB -0.826 39.925 40.800 -0.081 0.000 1.110 376 D HN 0.451 nan 8.370 nan 0.000 0.499 377 S N 2.065 117.621 115.700 -0.240 0.000 2.556 377 S HA 0.215 4.680 4.470 -0.009 0.000 0.271 377 S C -1.049 173.498 174.600 -0.088 0.000 1.135 377 S CA -0.929 57.181 58.200 -0.151 0.000 0.858 377 S CB 1.315 64.418 63.200 -0.161 0.000 1.114 377 S HN 0.398 nan 8.310 nan 0.000 0.468 378 W N 3.637 124.819 121.300 -0.196 0.000 2.264 378 W HA 0.159 4.815 4.660 -0.006 0.000 0.331 378 W C -0.944 175.476 176.519 -0.165 0.000 1.364 378 W CA 0.847 58.094 57.345 -0.163 0.000 1.253 378 W CB 0.370 29.732 29.460 -0.164 0.000 1.215 378 W HN 0.579 nan 8.180 nan 0.000 0.561 379 D N 4.806 124.646 120.400 -0.933 0.000 2.473 379 D HA 0.111 4.745 4.640 -0.009 0.000 0.253 379 D C 0.882 176.605 176.300 -0.960 0.000 1.233 379 D CA -0.254 53.310 54.000 -0.727 0.000 0.908 379 D CB 1.488 42.045 40.800 -0.405 0.000 1.170 379 D HN 0.293 nan 8.370 nan 0.000 0.558 380 T N 2.815 116.921 114.554 -0.746 0.000 2.720 380 T HA -0.120 4.225 4.350 -0.009 0.000 0.268 380 T C 1.866 176.467 174.700 -0.165 0.000 1.037 380 T CA 1.130 63.004 62.100 -0.376 0.000 1.144 380 T CB -0.247 68.554 68.868 -0.111 0.000 0.864 380 T HN 0.483 nan 8.240 nan 0.000 0.444 381 F N 1.393 121.202 119.950 -0.234 0.000 2.069 381 F HA -0.166 4.356 4.527 -0.008 0.000 0.298 381 F C 2.953 178.648 175.800 -0.174 0.000 1.113 381 F CA 0.617 58.512 58.000 -0.174 0.000 1.214 381 F CB -0.463 38.448 39.000 -0.148 0.000 0.978 381 F HN 0.162 nan 8.300 nan 0.000 0.474 382 A N 0.243 123.060 122.820 -0.005 0.000 1.908 382 A HA -0.175 4.140 4.320 -0.009 0.000 0.218 382 A C 2.308 179.832 177.584 -0.101 0.000 1.181 382 A CA 1.801 53.804 52.037 -0.057 0.000 0.627 382 A CB -1.185 17.751 19.000 -0.106 0.000 0.818 382 A HN 0.375 nan 8.150 nan 0.000 0.445 383 A N 0.297 122.967 122.820 -0.250 0.000 1.877 383 A HA -0.110 4.205 4.320 -0.009 0.000 0.216 383 A C 2.544 180.108 177.584 -0.034 0.000 1.186 383 A CA 2.477 54.384 52.037 -0.216 0.000 0.620 383 A CB -1.043 17.674 19.000 -0.472 0.000 0.822 383 A HN 1.063 nan 8.150 nan 0.000 0.443 384 S N -0.069 115.630 115.700 -0.002 0.000 2.402 384 S HA -0.065 4.399 4.470 -0.009 0.000 0.229 384 S C 1.891 176.532 174.600 0.068 0.000 1.021 384 S CA 1.336 59.566 58.200 0.049 0.000 0.974 384 S CB -0.704 62.530 63.200 0.057 0.000 0.800 384 S HN 0.441 nan 8.310 nan 0.000 0.484 385 L N 1.318 122.575 121.223 0.056 0.000 2.046 385 L HA -0.035 4.299 4.340 -0.009 0.000 0.208 385 L C 3.247 180.253 176.870 0.226 0.000 1.077 385 L CA 1.259 56.172 54.840 0.121 0.000 0.747 385 L CB -0.905 41.169 42.059 0.024 0.000 0.896 385 L HN 0.479 nan 8.230 nan 0.000 0.432 386 A N 0.039 122.936 122.820 0.128 0.000 1.902 386 A HA -0.175 4.140 4.320 -0.009 0.000 0.217 386 A C 2.516 180.147 177.584 0.078 0.000 1.181 386 A CA 1.717 53.819 52.037 0.107 0.000 0.623 386 A CB -0.686 18.364 19.000 0.084 0.000 0.818 386 A HN 0.410 nan 8.150 nan 0.000 0.443 387 A N -0.378 122.490 122.820 0.080 0.000 1.972 387 A HA 0.216 4.530 4.320 -0.009 0.000 0.219 387 A C 2.242 179.858 177.584 0.053 0.000 1.169 387 A CA 1.787 53.864 52.037 0.066 0.000 0.635 387 A CB -0.701 18.344 19.000 0.075 0.000 0.810 387 A HN 1.104 nan 8.150 nan 0.000 0.446 388 A N -1.787 121.089 122.820 0.094 0.000 2.251 388 A HA 0.433 4.747 4.320 -0.009 0.000 0.209 388 A C 1.543 179.045 177.584 -0.136 0.000 1.187 388 A CA 1.065 53.150 52.037 0.079 0.000 0.823 388 A CB -0.864 18.285 19.000 0.248 0.000 0.846 388 A HN 1.893 nan 8.150 nan 0.000 0.486 389 G N -1.563 107.144 108.800 -0.154 0.000 2.164 389 G HA2 -0.191 3.764 3.960 -0.009 0.000 0.212 389 G HA3 -0.191 3.764 3.960 -0.009 0.000 0.212 389 G C -0.294 174.244 174.900 -0.603 0.000 1.031 389 G CA -0.061 44.827 45.100 -0.352 0.000 0.730 389 G HN 0.344 nan 8.290 nan 0.000 0.501 390 F N 1.149 121.028 119.950 -0.120 0.000 2.495 390 F HA 0.581 5.125 4.527 0.027 0.000 0.327 390 F C 0.872 176.603 175.800 -0.114 0.000 1.103 390 F CA -1.287 56.641 58.000 -0.121 0.000 0.949 390 F CB 1.109 40.095 39.000 -0.024 0.000 1.142 390 F HN 0.065 nan 8.300 nan 0.000 0.457 391 H N 1.731 120.950 119.070 0.249 0.000 2.707 391 H HA 0.392 4.944 4.556 -0.007 0.000 0.359 391 H C -0.406 175.053 175.328 0.219 0.000 1.113 391 H CA -0.140 56.026 56.048 0.198 0.000 1.422 391 H CB 1.137 30.997 29.762 0.164 0.000 1.443 391 H HN 0.285 nan 8.280 nan 0.000 0.591 392 V N 3.258 123.355 119.914 0.306 0.000 2.540 392 V HA 0.280 4.395 4.120 -0.009 0.000 0.302 392 V C 0.071 176.303 176.094 0.228 0.000 1.035 392 V CA -0.799 61.636 62.300 0.224 0.000 0.873 392 V CB 1.992 33.904 31.823 0.149 0.000 0.992 392 V HN 0.429 nan 8.190 nan 0.000 0.428 393 V N 5.949 126.000 119.914 0.228 0.000 2.487 393 V HA 0.556 4.671 4.120 -0.009 0.000 0.298 393 V C -0.265 175.944 176.094 0.192 0.000 1.028 393 V CA -0.385 62.054 62.300 0.232 0.000 0.860 393 V CB 1.811 33.823 31.823 0.314 0.000 0.991 393 V HN 0.909 nan 8.190 nan 0.000 0.427 394 M N 7.469 127.169 119.600 0.166 0.000 1.980 394 M HA 0.366 4.841 4.480 -0.009 0.000 0.282 394 M C -3.012 173.394 176.300 0.178 0.000 0.878 394 M CA -1.398 54.014 55.300 0.186 0.000 0.900 394 M CB 2.208 34.916 32.600 0.179 0.000 1.577 394 M HN 0.303 nan 8.290 nan 0.000 0.396 395 P HA 0.191 nan 4.420 nan 0.000 0.293 395 P C -0.922 176.531 177.300 0.255 0.000 1.300 395 P CA -0.327 62.875 63.100 0.170 0.000 0.792 395 P CB 0.698 32.522 31.700 0.207 0.000 0.925 396 N N 3.581 122.372 118.700 0.150 0.000 3.050 396 N HA 0.039 4.774 4.740 -0.009 0.000 0.289 396 N C 0.320 176.026 175.510 0.325 0.000 1.209 396 N CA -0.071 53.091 53.050 0.187 0.000 1.154 396 N CB -0.678 37.843 38.487 0.058 0.000 1.444 396 N HN 0.464 nan 8.380 nan 0.000 0.529 397 Y N -0.033 120.488 120.300 0.368 0.000 2.709 397 Y HA -0.046 4.498 4.550 -0.010 0.000 0.348 397 Y C 1.160 177.164 175.900 0.172 0.000 1.267 397 Y CA -1.160 57.121 58.100 0.302 0.000 1.486 397 Y CB 0.278 38.823 38.460 0.143 0.000 1.356 397 Y HN 0.278 nan 8.280 nan 0.000 0.639 398 R N 1.318 121.725 120.500 -0.155 0.000 2.522 398 R HA 0.381 4.715 4.340 -0.009 0.000 0.284 398 R C 0.768 176.915 176.300 -0.254 0.000 1.032 398 R CA 0.486 55.957 56.100 -1.049 0.000 1.049 398 R CB -0.146 29.390 30.300 -1.274 0.000 0.956 398 R HN 1.395 nan 8.270 nan 0.000 0.422 399 G N 1.836 110.493 108.800 -0.239 0.000 2.238 399 G HA2 -0.256 3.699 3.960 -0.009 0.000 0.217 399 G HA3 -0.256 3.699 3.960 -0.009 0.000 0.217 399 G C -0.111 174.926 174.900 0.228 0.000 0.996 399 G CA 0.026 45.204 45.100 0.129 0.000 0.632 399 G HN 0.656 nan 8.290 nan 0.000 0.503 400 S N 1.748 117.503 115.700 0.092 0.000 2.572 400 S HA 0.517 4.982 4.470 -0.009 0.000 0.279 400 S C 0.982 175.759 174.600 0.295 0.000 1.341 400 S CA 0.530 58.843 58.200 0.188 0.000 1.043 400 S CB 1.042 64.385 63.200 0.237 0.000 0.887 400 S HN 1.120 nan 8.310 nan 0.000 0.516 401 T N -0.603 114.082 114.554 0.219 0.000 2.828 401 T HA 0.572 4.917 4.350 -0.009 0.000 0.290 401 T C 1.240 176.050 174.700 0.184 0.000 1.019 401 T CA -0.064 62.140 62.100 0.175 0.000 1.031 401 T CB 0.821 69.753 68.868 0.106 0.000 1.001 401 T HN 1.219 nan 8.240 nan 0.000 0.531 402 G N 0.062 108.905 108.800 0.071 0.000 2.176 402 G HA2 -0.230 3.725 3.960 -0.009 0.000 0.232 402 G HA3 -0.230 3.725 3.960 -0.009 0.000 0.232 402 G C 0.139 174.750 174.900 -0.483 0.000 0.986 402 G CA 0.255 45.257 45.100 -0.163 0.000 0.643 402 G HN 0.806 nan 8.290 nan 0.000 0.522 403 Y N 0.519 120.884 120.300 0.108 0.000 2.738 403 Y HA 0.496 5.041 4.550 -0.008 0.000 0.249 403 Y C 1.237 177.201 175.900 0.107 0.000 1.157 403 Y CA 0.318 58.465 58.100 0.078 0.000 1.189 403 Y CB 1.232 39.686 38.460 -0.010 0.000 1.262 403 Y HN 1.206 nan 8.280 nan 0.000 0.554 404 G N 0.535 109.444 108.800 0.182 0.000 2.539 404 G HA2 -0.193 3.762 3.960 -0.009 0.000 0.686 404 G HA3 -0.193 3.762 3.960 -0.009 0.000 0.686 404 G C 0.030 175.022 174.900 0.154 0.000 1.258 404 G CA -0.311 44.871 45.100 0.136 0.000 0.846 404 G HN 0.122 nan 8.290 nan 0.000 0.647 405 E N -0.244 120.002 120.200 0.076 0.000 2.153 405 E HA -0.105 4.240 4.350 -0.009 0.000 0.194 405 E C 2.047 178.698 176.600 0.086 0.000 0.988 405 E CA 2.231 58.656 56.400 0.041 0.000 0.811 405 E CB -0.020 29.671 29.700 -0.015 0.000 0.746 405 E HN 0.628 nan 8.360 nan 0.000 0.466 406 E N -0.447 119.830 120.200 0.128 0.000 2.028 406 E HA -0.188 4.157 4.350 -0.009 0.000 0.191 406 E C 1.797 178.531 176.600 0.223 0.000 0.988 406 E CA 1.059 57.549 56.400 0.149 0.000 0.799 406 E CB -0.447 29.344 29.700 0.151 0.000 0.755 406 E HN 0.522 nan 8.360 nan 0.000 0.447 407 W N 1.777 123.131 121.300 0.090 0.000 2.338 407 W HA -0.213 4.441 4.660 -0.010 0.000 0.304 407 W C 2.297 178.901 176.519 0.140 0.000 1.212 407 W CA 1.383 58.800 57.345 0.120 0.000 1.264 407 W CB -0.132 29.414 29.460 0.144 0.000 1.142 407 W HN 0.082 nan 8.180 nan 0.000 0.512 408 R N 0.334 120.946 120.500 0.186 0.000 2.092 408 R HA -0.137 4.197 4.340 -0.009 0.000 0.231 408 R C 2.273 178.623 176.300 0.084 0.000 1.119 408 R CA 1.368 57.532 56.100 0.106 0.000 0.970 408 R CB -0.609 29.735 30.300 0.074 0.000 0.864 408 R HN 0.238 nan 8.270 nan 0.000 0.440 409 L N 0.262 121.517 121.223 0.054 0.000 2.558 409 L HA 0.034 4.369 4.340 -0.009 0.000 0.225 409 L C 1.899 178.799 176.870 0.050 0.000 1.128 409 L CA 0.422 55.298 54.840 0.060 0.000 0.868 409 L CB -0.064 42.015 42.059 0.033 0.000 1.006 409 L HN 0.127 nan 8.230 nan 0.000 0.454 410 K N 0.476 120.877 120.400 0.002 0.000 2.280 410 K HA -0.146 4.168 4.320 -0.009 0.000 0.202 410 K C 1.981 178.574 176.600 -0.011 0.000 1.047 410 K CA 1.099 57.371 56.287 -0.025 0.000 0.942 410 K CB 0.047 32.476 32.500 -0.119 0.000 0.739 410 K HN 0.286 nan 8.250 nan 0.000 0.457 411 I N 1.101 121.676 120.570 0.009 0.000 2.676 411 I HA -0.104 4.060 4.170 -0.009 0.000 0.259 411 I C 0.190 176.331 176.117 0.040 0.000 1.194 411 I CA 0.229 61.553 61.300 0.039 0.000 1.473 411 I CB 0.321 38.361 38.000 0.067 0.000 1.096 411 I HN -0.020 nan 8.210 nan 0.000 0.443 412 I N 2.476 123.079 120.570 0.056 0.000 2.741 412 I HA -0.021 4.143 4.170 -0.009 0.000 0.288 412 I C 1.545 177.662 176.117 0.001 0.000 1.192 412 I CA 1.293 62.611 61.300 0.031 0.000 1.426 412 I CB -0.659 37.379 38.000 0.063 0.000 1.367 412 I HN 0.520 nan 8.210 nan 0.000 0.563 413 G N 5.440 114.215 108.800 -0.041 0.000 2.168 413 G HA2 -0.276 3.679 3.960 -0.009 0.000 0.263 413 G HA3 -0.276 3.679 3.960 -0.009 0.000 0.263 413 G C 0.223 175.107 174.900 -0.027 0.000 0.977 413 G CA 0.504 45.576 45.100 -0.047 0.000 0.659 413 G HN 0.690 nan 8.290 nan 0.000 0.533 414 D N 0.011 120.407 120.400 -0.006 0.000 3.100 414 D HA 0.319 4.954 4.640 -0.009 0.000 0.350 414 D C -2.275 174.071 176.300 0.077 0.000 1.310 414 D CA -0.981 53.037 54.000 0.029 0.000 0.741 414 D CB 1.116 41.938 40.800 0.037 0.000 1.248 414 D HN 0.259 nan 8.370 nan 0.000 0.527 415 P HA 0.125 nan 4.420 nan 0.000 0.275 415 P C 0.190 177.660 177.300 0.284 0.000 1.227 415 P CA -0.172 63.105 63.100 0.296 0.000 0.781 415 P CB 1.294 33.204 31.700 0.349 0.000 0.906 416 C N 2.396 121.844 119.300 0.247 0.000 3.690 416 C HA -0.054 4.400 4.460 -0.009 0.000 0.295 416 C C 1.117 176.116 174.990 0.014 0.000 1.283 416 C CA 1.033 60.074 59.018 0.039 0.000 2.212 416 C CB -2.288 25.466 27.740 0.024 0.000 1.407 416 C HN 0.906 nan 8.230 nan 0.000 0.595 417 G N 0.714 109.512 108.800 -0.003 0.000 3.551 417 G HA2 0.520 4.474 3.960 -0.009 0.000 0.174 417 G HA3 0.520 4.474 3.960 -0.009 0.000 0.174 417 G C 1.076 175.919 174.900 -0.094 0.000 1.280 417 G CA 0.810 45.882 45.100 -0.047 0.000 1.236 417 G HN 1.220 nan 8.290 nan 0.000 0.731 418 G N 0.961 109.744 108.800 -0.029 0.000 2.469 418 G HA2 -0.175 3.779 3.960 -0.009 0.000 0.219 418 G HA3 -0.175 3.779 3.960 -0.009 0.000 0.219 418 G C 1.522 176.462 174.900 0.067 0.000 1.150 418 G CA 1.977 47.103 45.100 0.043 0.000 0.763 418 G HN 0.653 nan 8.290 nan 0.000 0.561 419 E N 0.593 120.825 120.200 0.053 0.000 2.106 419 E HA -0.115 4.230 4.350 -0.009 0.000 0.192 419 E C 2.438 179.044 176.600 0.010 0.000 0.984 419 E CA 1.045 57.490 56.400 0.076 0.000 0.806 419 E CB -0.579 29.169 29.700 0.081 0.000 0.750 419 E HN 0.374 nan 8.360 nan 0.000 0.458 420 L N 1.646 122.841 121.223 -0.048 0.000 2.093 420 L HA -0.106 4.228 4.340 -0.009 0.000 0.208 420 L C 2.214 179.068 176.870 -0.026 0.000 1.085 420 L CA 1.720 56.517 54.840 -0.072 0.000 0.755 420 L CB -0.334 41.658 42.059 -0.112 0.000 0.904 420 L HN -0.049 nan 8.230 nan 0.000 0.435 421 E N -0.118 120.045 120.200 -0.062 0.000 2.150 421 E HA -0.185 4.160 4.350 -0.009 0.000 0.193 421 E C 1.795 178.483 176.600 0.147 0.000 0.985 421 E CA 1.162 57.530 56.400 -0.053 0.000 0.814 421 E CB -0.270 29.203 29.700 -0.379 0.000 0.752 421 E HN 0.593 nan 8.360 nan 0.000 0.466 422 D N 0.299 120.828 120.400 0.214 0.000 2.097 422 D HA -0.096 4.539 4.640 -0.009 0.000 0.197 422 D C 2.139 178.580 176.300 0.235 0.000 0.984 422 D CA 0.637 54.810 54.000 0.288 0.000 0.826 422 D CB -0.231 40.797 40.800 0.380 0.000 0.973 422 D HN 0.007 nan 8.370 nan 0.000 0.460 423 V N 1.020 121.050 119.914 0.194 0.000 2.407 423 V HA -0.200 3.915 4.120 -0.009 0.000 0.248 423 V C 2.394 178.621 176.094 0.222 0.000 1.055 423 V CA 1.650 64.070 62.300 0.200 0.000 1.049 423 V CB -0.438 31.459 31.823 0.124 0.000 0.662 423 V HN 0.138 nan 8.190 nan 0.000 0.455 424 S N 0.333 116.127 115.700 0.156 0.000 2.383 424 S HA -0.082 4.382 4.470 -0.009 0.000 0.227 424 S C 2.188 176.845 174.600 0.094 0.000 1.026 424 S CA 1.206 59.461 58.200 0.091 0.000 0.981 424 S CB -0.372 62.844 63.200 0.028 0.000 0.818 424 S HN 0.645 nan 8.310 nan 0.000 0.472 425 A N 1.636 124.544 122.820 0.146 0.000 1.930 425 A HA 0.235 4.550 4.320 -0.009 0.000 0.217 425 A C 2.339 180.047 177.584 0.207 0.000 1.175 425 A CA 1.435 53.574 52.037 0.170 0.000 0.627 425 A CB -0.967 18.153 19.000 0.200 0.000 0.815 425 A HN 0.498 nan 8.150 nan 0.000 0.443 426 A N -0.124 122.823 122.820 0.212 0.000 1.972 426 A HA 0.183 4.498 4.320 -0.009 0.000 0.219 426 A C 2.425 180.210 177.584 0.334 0.000 1.169 426 A CA 1.907 54.094 52.037 0.251 0.000 0.635 426 A CB -0.803 18.318 19.000 0.201 0.000 0.810 426 A HN 0.968 nan 8.150 nan 0.000 0.446 427 A N 0.252 123.215 122.820 0.238 0.000 1.929 427 A HA -0.105 4.210 4.320 -0.009 0.000 0.216 427 A C 2.210 179.841 177.584 0.078 0.000 1.176 427 A CA 1.617 53.743 52.037 0.148 0.000 0.628 427 A CB -0.444 18.502 19.000 -0.089 0.000 0.816 427 A HN 0.644 nan 8.150 nan 0.000 0.444 428 R N -1.685 118.864 120.500 0.081 0.000 2.092 428 R HA -0.180 4.154 4.340 -0.009 0.000 0.231 428 R C 1.978 178.340 176.300 0.103 0.000 1.119 428 R CA 1.731 57.864 56.100 0.055 0.000 0.970 428 R CB -0.588 29.748 30.300 0.059 0.000 0.864 428 R HN 0.655 nan 8.270 nan 0.000 0.440 429 W N 1.060 122.375 121.300 0.024 0.000 2.388 429 W HA 0.011 4.670 4.660 -0.002 0.000 0.294 429 W C 1.930 178.464 176.519 0.026 0.000 1.212 429 W CA 1.627 58.989 57.345 0.029 0.000 1.271 429 W CB -0.187 29.297 29.460 0.041 0.000 1.126 429 W HN 0.214 nan 8.180 nan 0.000 0.535 430 A N 0.707 123.525 122.820 -0.004 0.000 1.930 430 A HA -0.145 4.169 4.320 -0.009 0.000 0.217 430 A C 1.937 179.318 177.584 -0.339 0.000 1.175 430 A CA 1.868 53.712 52.037 -0.322 0.000 0.627 430 A CB -0.758 18.318 19.000 0.126 0.000 0.815 430 A HN 0.347 nan 8.150 nan 0.000 0.443 431 R N 0.217 120.605 120.500 -0.187 0.000 2.057 431 R HA -0.057 4.278 4.340 -0.009 0.000 0.229 431 R C 1.994 178.172 176.300 -0.204 0.000 1.136 431 R CA 1.927 57.933 56.100 -0.156 0.000 0.952 431 R CB -0.388 29.853 30.300 -0.098 0.000 0.848 431 R HN 0.608 nan 8.270 nan 0.000 0.430 432 E N -0.109 119.963 120.200 -0.213 0.000 2.208 432 E HA -0.108 4.236 4.350 -0.009 0.000 0.193 432 E C 1.772 178.219 176.600 -0.255 0.000 0.988 432 E CA 1.362 57.654 56.400 -0.179 0.000 0.828 432 E CB 0.025 29.664 29.700 -0.101 0.000 0.763 432 E HN 0.497 nan 8.360 nan 0.000 0.478 433 S N -0.547 114.857 115.700 -0.493 0.000 2.428 433 S HA 0.036 4.500 4.470 -0.009 0.000 0.230 433 S C 1.710 176.102 174.600 -0.347 0.000 1.014 433 S CA 0.799 58.682 58.200 -0.528 0.000 0.957 433 S CB 0.279 62.793 63.200 -1.143 0.000 0.784 433 S HN 0.359 nan 8.310 nan 0.000 0.499 434 G N 0.433 109.042 108.800 -0.319 0.000 2.184 434 G HA2 -0.200 3.755 3.960 -0.009 0.000 0.206 434 G HA3 -0.200 3.755 3.960 -0.009 0.000 0.206 434 G C 0.416 175.202 174.900 -0.190 0.000 0.995 434 G CA 0.203 45.184 45.100 -0.198 0.000 0.651 434 G HN 0.542 nan 8.290 nan 0.000 0.511 435 L N 0.989 122.047 121.223 -0.275 0.000 2.179 435 L HA 0.737 5.072 4.340 -0.009 0.000 0.208 435 L C 1.528 178.353 176.870 -0.076 0.000 1.096 435 L CA 2.245 56.950 54.840 -0.225 0.000 0.779 435 L CB -0.063 41.825 42.059 -0.286 0.000 0.922 435 L HN 0.871 nan 8.230 nan 0.000 0.443 436 A N -1.587 121.193 122.820 -0.067 0.000 2.291 436 A HA 0.530 4.844 4.320 -0.009 0.000 0.311 436 A C 0.940 178.529 177.584 0.008 0.000 1.224 436 A CA 0.120 52.174 52.037 0.028 0.000 0.821 436 A CB 0.743 19.759 19.000 0.026 0.000 1.172 436 A HN 0.350 nan 8.150 nan 0.000 0.494 437 S N 1.646 117.373 115.700 0.044 0.000 2.439 437 S HA 0.104 4.569 4.470 -0.009 0.000 0.224 437 S C 0.478 175.076 174.600 -0.003 0.000 1.029 437 S CA 0.732 58.942 58.200 0.016 0.000 0.946 437 S CB -0.271 62.946 63.200 0.029 0.000 0.797 437 S HN 0.849 nan 8.310 nan 0.000 0.504 438 E N -0.103 120.101 120.200 0.007 0.000 2.408 438 E HA 0.698 5.043 4.350 -0.009 0.000 0.275 438 E C -1.712 174.827 176.600 -0.103 0.000 0.935 438 E CA -1.118 55.233 56.400 -0.081 0.000 0.775 438 E CB 1.398 31.030 29.700 -0.114 0.000 1.277 438 E HN 0.145 nan 8.360 nan 0.000 0.455 439 L N 1.851 122.935 121.223 -0.231 0.000 2.385 439 L HA 0.545 4.879 4.340 -0.009 0.000 0.273 439 L C -1.469 175.318 176.870 -0.138 0.000 0.990 439 L CA -0.799 54.008 54.840 -0.054 0.000 0.821 439 L CB 1.284 43.365 42.059 0.038 0.000 1.279 439 L HN 0.622 nan 8.230 nan 0.000 0.412 440 Y N 2.800 123.292 120.300 0.320 0.000 2.570 440 Y HA 0.610 5.138 4.550 -0.037 0.000 0.345 440 Y C -0.349 175.461 175.900 -0.150 0.000 1.014 440 Y CA -0.763 57.425 58.100 0.146 0.000 1.063 440 Y CB 2.445 40.914 38.460 0.016 0.000 1.272 440 Y HN 0.355 nan 8.280 nan 0.000 0.477 441 I N 2.890 123.244 120.570 -0.360 0.000 2.474 441 I HA 0.621 4.786 4.170 -0.009 0.000 0.294 441 I C -1.286 174.679 176.117 -0.253 0.000 1.005 441 I CA -0.810 60.125 61.300 -0.608 0.000 1.113 441 I CB 1.346 38.587 38.000 -1.265 0.000 1.289 441 I HN 0.803 nan 8.210 nan 0.000 0.436 442 M N 6.643 126.132 119.600 -0.185 0.000 2.421 442 M HA 0.764 5.239 4.480 -0.009 0.000 0.287 442 M C -1.403 174.850 176.300 -0.078 0.000 1.183 442 M CA -0.241 54.980 55.300 -0.132 0.000 0.916 442 M CB 2.242 34.753 32.600 -0.148 0.000 1.701 442 M HN 0.686 nan 8.290 nan 0.000 0.470 443 G N 2.165 110.933 108.800 -0.053 0.000 2.616 443 G HA2 0.448 4.402 3.960 -0.009 0.000 0.294 443 G HA3 0.448 4.402 3.960 -0.009 0.000 0.294 443 G C -2.961 172.000 174.900 0.101 0.000 1.489 443 G CA -0.527 44.600 45.100 0.045 0.000 0.836 443 G HN 0.739 nan 8.290 nan 0.000 0.527 444 Y N 1.520 121.863 120.300 0.072 0.000 2.393 444 Y HA 0.578 5.122 4.550 -0.010 0.000 0.341 444 Y C 0.842 176.818 175.900 0.128 0.000 0.988 444 Y CA 1.138 59.286 58.100 0.079 0.000 1.078 444 Y CB 1.794 40.355 38.460 0.168 0.000 1.203 444 Y HN 2.010 nan 8.280 nan 0.000 0.453 445 A N 3.803 126.453 122.820 -0.284 0.000 5.122 445 A HA -0.445 3.869 4.320 -0.009 0.000 0.315 445 A C 1.152 178.804 177.584 0.113 0.000 1.926 445 A CA 2.119 54.146 52.037 -0.017 0.000 0.712 445 A CB -2.079 17.081 19.000 0.266 0.000 1.325 445 A HN 1.094 nan 8.150 nan 0.000 0.371 446 Y N 1.614 121.999 120.300 0.142 0.000 2.352 446 Y HA 0.163 4.708 4.550 -0.009 0.000 0.292 446 Y C 2.505 178.495 175.900 0.151 0.000 1.136 446 Y CA 2.416 60.619 58.100 0.171 0.000 1.227 446 Y CB -0.663 37.925 38.460 0.212 0.000 0.991 446 Y HN 0.738 nan 8.280 nan 0.000 0.545 447 G N -0.727 108.224 108.800 0.250 0.000 2.418 447 G HA2 -0.245 3.709 3.960 -0.009 0.000 0.217 447 G HA3 -0.245 3.709 3.960 -0.009 0.000 0.217 447 G C 1.903 176.804 174.900 0.001 0.000 1.158 447 G CA 0.730 45.908 45.100 0.129 0.000 0.771 447 G HN 0.534 nan 8.290 nan 0.000 0.545 448 G N -0.347 108.450 108.800 -0.005 0.000 2.422 448 G HA2 -0.229 3.726 3.960 -0.009 0.000 0.218 448 G HA3 -0.229 3.726 3.960 -0.009 0.000 0.218 448 G C 1.619 176.460 174.900 -0.098 0.000 1.140 448 G CA 1.027 46.086 45.100 -0.069 0.000 0.775 448 G HN 0.410 nan 8.290 nan 0.000 0.545 449 Y N 0.849 120.983 120.300 -0.277 0.000 2.165 449 Y HA -0.081 4.465 4.550 -0.008 0.000 0.286 449 Y C 2.641 178.329 175.900 -0.354 0.000 1.155 449 Y CA 1.441 59.303 58.100 -0.397 0.000 1.164 449 Y CB -0.034 38.026 38.460 -0.665 0.000 0.978 449 Y HN 0.089 nan 8.280 nan 0.000 0.513 450 M N -0.868 118.489 119.600 -0.406 0.000 2.319 450 M HA -0.140 4.334 4.480 -0.009 0.000 0.265 450 M C 1.987 178.110 176.300 -0.294 0.000 1.068 450 M CA 1.478 56.530 55.300 -0.413 0.000 1.118 450 M CB -1.241 31.180 32.600 -0.299 0.000 1.395 450 M HN 0.225 nan 8.290 nan 0.000 0.435 451 T N 1.487 115.900 114.554 -0.234 0.000 2.674 451 T HA -0.083 4.261 4.350 -0.009 0.000 0.265 451 T C 1.976 176.567 174.700 -0.182 0.000 1.039 451 T CA 1.136 63.112 62.100 -0.207 0.000 1.150 451 T CB -0.238 68.528 68.868 -0.169 0.000 0.864 451 T HN 0.311 nan 8.240 nan 0.000 0.427 452 L N 0.275 121.377 121.223 -0.201 0.000 2.083 452 L HA -0.094 4.240 4.340 -0.009 0.000 0.209 452 L C 2.808 179.559 176.870 -0.199 0.000 1.083 452 L CA 0.820 55.554 54.840 -0.177 0.000 0.752 452 L CB -0.598 41.358 42.059 -0.172 0.000 0.899 452 L HN 0.393 nan 8.230 nan 0.000 0.433 453 C N -0.472 118.638 119.300 -0.318 0.000 2.457 453 C HA -0.011 4.444 4.460 -0.009 0.000 0.278 453 C C 3.108 177.996 174.990 -0.171 0.000 1.309 453 C CA 0.562 59.395 59.018 -0.308 0.000 1.735 453 C CB -0.860 26.565 27.740 -0.524 0.000 1.992 453 C HN 0.597 nan 8.230 nan 0.000 0.493 454 A N 0.034 122.779 122.820 -0.125 0.000 1.930 454 A HA -0.049 4.266 4.320 -0.009 0.000 0.217 454 A C 1.861 179.472 177.584 0.044 0.000 1.175 454 A CA 1.410 53.454 52.037 0.012 0.000 0.627 454 A CB -0.412 18.659 19.000 0.118 0.000 0.815 454 A HN 0.459 nan 8.150 nan 0.000 0.443 455 L N 0.097 121.323 121.223 0.005 0.000 2.313 455 L HA -0.030 4.304 4.340 -0.009 0.000 0.214 455 L C 2.650 179.519 176.870 -0.001 0.000 1.119 455 L CA 2.108 56.965 54.840 0.027 0.000 0.809 455 L CB -0.467 41.602 42.059 0.017 0.000 0.933 455 L HN 0.636 nan 8.230 nan 0.000 0.449 456 T N -5.057 109.478 114.554 -0.032 0.000 2.953 456 T HA 0.003 4.348 4.350 -0.009 0.000 0.247 456 T C 1.676 176.336 174.700 -0.067 0.000 1.029 456 T CA 0.393 62.474 62.100 -0.032 0.000 1.144 456 T CB -0.052 68.808 68.868 -0.012 0.000 0.870 456 T HN -0.019 nan 8.240 nan 0.000 0.446 457 M N 0.650 120.195 119.600 -0.092 0.000 2.501 457 M HA 0.307 4.782 4.480 -0.009 0.000 0.261 457 M C 0.508 176.758 176.300 -0.083 0.000 1.129 457 M CA 0.812 56.039 55.300 -0.122 0.000 1.126 457 M CB -0.366 32.148 32.600 -0.143 0.000 1.359 457 M HN 0.114 nan 8.290 nan 0.000 0.471 458 K N 1.291 121.664 120.400 -0.046 0.000 3.163 458 K HA 0.352 4.667 4.320 -0.009 0.000 0.186 458 K C -2.583 174.014 176.600 -0.006 0.000 1.111 458 K CA -1.409 54.860 56.287 -0.030 0.000 0.918 458 K CB 0.665 33.157 32.500 -0.014 0.000 1.059 458 K HN 0.094 nan 8.250 nan 0.000 0.558 459 P HA 0.032 nan 4.420 nan 0.000 0.267 459 P C 0.831 178.127 177.300 -0.007 0.000 1.205 459 P CA 0.912 64.015 63.100 0.006 0.000 0.765 459 P CB 0.927 32.627 31.700 -0.001 0.000 0.828 460 G N 1.990 110.792 108.800 0.003 0.000 2.234 460 G HA2 -0.299 3.655 3.960 -0.009 0.000 0.235 460 G HA3 -0.299 3.655 3.960 -0.009 0.000 0.235 460 G C 0.587 175.445 174.900 -0.071 0.000 0.997 460 G CA 0.245 45.331 45.100 -0.023 0.000 0.623 460 G HN 0.534 nan 8.290 nan 0.000 0.514 461 L N 0.267 121.425 121.223 -0.110 0.000 2.005 461 L HA 0.482 4.817 4.340 -0.009 0.000 0.207 461 L C 1.205 177.814 176.870 -0.434 0.000 1.072 461 L CA 1.569 56.227 54.840 -0.302 0.000 0.744 461 L CB -0.482 41.336 42.059 -0.402 0.000 0.895 461 L HN 0.250 nan 8.230 nan 0.000 0.433 462 F N -1.005 118.929 119.950 -0.027 0.000 2.440 462 F HA 0.280 4.797 4.527 -0.016 0.000 0.328 462 F C 1.537 177.304 175.800 -0.056 0.000 1.070 462 F CA -0.440 57.534 58.000 -0.044 0.000 1.011 462 F CB 0.939 39.940 39.000 0.002 0.000 1.226 462 F HN -0.213 nan 8.300 nan 0.000 0.491 463 K N 0.988 121.432 120.400 0.073 0.000 2.116 463 K HA 0.403 4.718 4.320 -0.009 0.000 0.203 463 K C -0.023 176.673 176.600 0.160 0.000 1.052 463 K CA 1.005 57.293 56.287 0.002 0.000 0.952 463 K CB 0.221 32.573 32.500 -0.245 0.000 0.729 463 K HN 0.728 nan 8.250 nan 0.000 0.446 464 A N -0.687 122.310 122.820 0.295 0.000 2.599 464 A HA 0.641 4.956 4.320 -0.009 0.000 0.290 464 A C -1.120 176.659 177.584 0.325 0.000 1.101 464 A CA -0.485 51.770 52.037 0.363 0.000 0.674 464 A CB 1.452 20.699 19.000 0.412 0.000 1.277 464 A HN 0.219 nan 8.150 nan 0.000 0.419 465 G N -0.700 108.263 108.800 0.272 0.000 2.638 465 G HA2 0.620 4.574 3.960 -0.009 0.000 0.302 465 G HA3 0.620 4.574 3.960 -0.009 0.000 0.302 465 G C -1.586 173.342 174.900 0.046 0.000 1.365 465 G CA -0.458 44.694 45.100 0.087 0.000 0.987 465 G HN 1.144 nan 8.290 nan 0.000 0.495 466 V N 0.760 120.649 119.914 -0.041 0.000 2.448 466 V HA 0.777 4.891 4.120 -0.009 0.000 0.295 466 V C 0.158 176.176 176.094 -0.126 0.000 1.025 466 V CA -0.697 61.529 62.300 -0.123 0.000 0.859 466 V CB 1.477 33.232 31.823 -0.112 0.000 0.988 466 V HN 1.182 nan 8.190 nan 0.000 0.431 467 A N 3.609 126.353 122.820 -0.127 0.000 2.410 467 A HA 0.833 5.148 4.320 -0.009 0.000 0.289 467 A C 0.100 177.639 177.584 -0.075 0.000 1.200 467 A CA -0.144 51.833 52.037 -0.100 0.000 0.751 467 A CB 1.073 20.011 19.000 -0.103 0.000 1.161 467 A HN 1.028 nan 8.150 nan 0.000 0.459 468 G N 0.788 109.542 108.800 -0.078 0.000 2.400 468 G HA2 0.654 4.608 3.960 -0.009 0.000 0.333 468 G HA3 0.654 4.608 3.960 -0.009 0.000 0.333 468 G C 0.687 175.363 174.900 -0.373 0.000 1.143 468 G CA 0.027 45.064 45.100 -0.105 0.000 0.914 468 G HN 2.278 nan 8.290 nan 0.000 0.480 469 A N 0.634 123.156 122.820 -0.498 0.000 2.409 469 A HA -0.008 4.307 4.320 -0.009 0.000 0.290 469 A C 1.152 178.548 177.584 -0.314 0.000 1.440 469 A CA 1.053 52.628 52.037 -0.770 0.000 0.775 469 A CB -1.972 16.336 19.000 -1.153 0.000 1.069 469 A HN 2.169 nan 8.150 nan 0.000 0.389 470 S N -1.114 114.589 115.700 0.005 0.000 2.616 470 S HA 0.684 5.148 4.470 -0.009 0.000 0.277 470 S C 0.079 174.649 174.600 -0.050 0.000 1.234 470 S CA -0.416 57.762 58.200 -0.036 0.000 1.028 470 S CB 1.917 65.088 63.200 -0.048 0.000 0.988 470 S HN 1.086 nan 8.310 nan 0.000 0.522 471 V N 3.056 122.873 119.914 -0.162 0.000 2.508 471 V HA 0.173 4.288 4.120 -0.009 0.000 0.281 471 V C 0.730 176.666 176.094 -0.262 0.000 1.041 471 V CA -0.129 61.952 62.300 -0.366 0.000 1.016 471 V CB 0.950 32.250 31.823 -0.873 0.000 0.984 471 V HN 0.927 nan 8.190 nan 0.000 0.478 472 V N 2.286 122.024 119.914 -0.293 0.000 2.996 472 V HA 0.284 4.399 4.120 -0.009 0.000 0.235 472 V C 0.140 176.100 176.094 -0.224 0.000 1.205 472 V CA 0.540 62.714 62.300 -0.208 0.000 1.225 472 V CB 0.571 32.282 31.823 -0.187 0.000 0.995 472 V HN 0.903 nan 8.190 nan 0.000 0.484 473 D N -1.695 118.547 120.400 -0.263 0.000 2.478 473 D HA 0.170 4.804 4.640 -0.009 0.000 0.240 473 D C 0.117 176.350 176.300 -0.112 0.000 1.364 473 D CA -0.598 53.307 54.000 -0.157 0.000 0.987 473 D CB 0.805 41.555 40.800 -0.084 0.000 1.328 473 D HN 0.143 nan 8.370 nan 0.000 0.584 474 W N 2.347 123.643 121.300 -0.006 0.000 2.321 474 W HA -0.126 4.529 4.660 -0.009 0.000 0.306 474 W C 1.985 178.530 176.519 0.044 0.000 1.217 474 W CA 0.590 57.939 57.345 0.007 0.000 1.257 474 W CB 0.179 29.636 29.460 -0.005 0.000 1.145 474 W HN 0.483 nan 8.180 nan 0.000 0.509 475 E N 0.138 120.481 120.200 0.238 0.000 2.017 475 E HA -0.277 4.068 4.350 -0.009 0.000 0.193 475 E C 1.910 178.597 176.600 0.145 0.000 0.997 475 E CA 1.625 58.113 56.400 0.146 0.000 0.804 475 E CB -0.525 29.220 29.700 0.075 0.000 0.757 475 E HN 0.421 nan 8.360 nan 0.000 0.448 476 E N 0.835 121.087 120.200 0.087 0.000 2.106 476 E HA -0.181 4.163 4.350 -0.009 0.000 0.192 476 E C 2.170 178.817 176.600 0.078 0.000 0.984 476 E CA 0.718 57.155 56.400 0.061 0.000 0.806 476 E CB -0.050 29.654 29.700 0.007 0.000 0.750 476 E HN 0.147 nan 8.360 nan 0.000 0.458 477 M N -0.284 119.363 119.600 0.079 0.000 2.149 477 M HA -0.219 4.255 4.480 -0.009 0.000 0.261 477 M C 1.980 178.363 176.300 0.140 0.000 1.064 477 M CA 1.597 56.938 55.300 0.070 0.000 1.102 477 M CB -0.206 32.418 32.600 0.039 0.000 1.369 477 M HN 0.277 nan 8.290 nan 0.000 0.408 478 Y N 1.026 121.392 120.300 0.109 0.000 2.224 478 Y HA -0.248 4.297 4.550 -0.009 0.000 0.289 478 Y C 1.968 177.915 175.900 0.077 0.000 1.146 478 Y CA 2.193 60.364 58.100 0.119 0.000 1.182 478 Y CB -0.076 38.456 38.460 0.121 0.000 0.983 478 Y HN 0.356 nan 8.280 nan 0.000 0.524 479 E N -0.167 120.174 120.200 0.235 0.000 2.150 479 E HA -0.164 4.180 4.350 -0.009 0.000 0.193 479 E C 1.728 178.353 176.600 0.042 0.000 0.985 479 E CA 1.265 57.748 56.400 0.138 0.000 0.814 479 E CB -0.138 29.631 29.700 0.115 0.000 0.752 479 E HN 0.516 nan 8.360 nan 0.000 0.466 480 L N 0.515 121.751 121.223 0.022 0.000 2.592 480 L HA 0.112 4.447 4.340 -0.009 0.000 0.227 480 L C 0.607 177.457 176.870 -0.034 0.000 1.127 480 L CA -0.228 54.607 54.840 -0.009 0.000 0.884 480 L CB 0.343 42.394 42.059 -0.015 0.000 1.065 480 L HN -0.133 nan 8.230 nan 0.000 0.457 481 S N 0.281 115.949 115.700 -0.053 0.000 2.586 481 S HA 0.206 4.670 4.470 -0.009 0.000 0.274 481 S C -0.199 174.373 174.600 -0.048 0.000 1.281 481 S CA -0.899 57.272 58.200 -0.049 0.000 1.035 481 S CB 1.284 64.458 63.200 -0.043 0.000 0.962 481 S HN 0.275 nan 8.310 nan 0.000 0.512 482 D N 1.236 121.651 120.400 0.025 0.000 2.414 482 D HA 0.362 4.997 4.640 -0.009 0.000 0.251 482 D C 1.210 177.487 176.300 -0.038 0.000 1.252 482 D CA -0.288 53.716 54.000 0.007 0.000 0.999 482 D CB 0.096 40.923 40.800 0.046 0.000 1.093 482 D HN 0.371 nan 8.370 nan 0.000 0.515 483 A N -0.122 122.655 122.820 -0.071 0.000 1.940 483 A HA 0.002 4.317 4.320 -0.009 0.000 0.219 483 A C 2.187 179.665 177.584 -0.177 0.000 1.176 483 A CA 2.510 54.481 52.037 -0.111 0.000 0.631 483 A CB -1.346 17.595 19.000 -0.098 0.000 0.814 483 A HN 0.696 nan 8.150 nan 0.000 0.446 484 A N -1.472 121.171 122.820 -0.294 0.000 1.898 484 A HA 0.065 4.380 4.320 -0.009 0.000 0.216 484 A C 1.940 179.174 177.584 -0.583 0.000 1.181 484 A CA 1.397 53.021 52.037 -0.688 0.000 0.620 484 A CB -0.605 17.664 19.000 -1.218 0.000 0.819 484 A HN 0.483 nan 8.150 nan 0.000 0.442 485 F N -0.558 119.288 119.950 -0.174 0.000 2.335 485 F HA 0.064 4.585 4.527 -0.009 0.000 0.296 485 F C 2.510 178.345 175.800 0.059 0.000 1.091 485 F CA 0.752 58.797 58.000 0.075 0.000 1.399 485 F CB -0.077 38.970 39.000 0.079 0.000 1.067 485 F HN 0.062 nan 8.300 nan 0.000 0.520 486 R N 0.303 120.795 120.500 -0.014 0.000 2.083 486 R HA -0.220 4.115 4.340 -0.009 0.000 0.237 486 R C 2.163 178.522 176.300 0.098 0.000 1.137 486 R CA 1.640 57.552 56.100 -0.313 0.000 0.951 486 R CB -0.773 29.177 30.300 -0.583 0.000 0.851 486 R HN 0.319 nan 8.270 nan 0.000 0.434 487 N N 0.456 119.214 118.700 0.096 0.000 2.142 487 N HA -0.191 4.544 4.740 -0.009 0.000 0.186 487 N C 1.699 177.375 175.510 0.277 0.000 1.023 487 N CA 1.126 54.281 53.050 0.174 0.000 0.852 487 N CB -0.084 38.474 38.487 0.119 0.000 0.998 487 N HN 0.089 nan 8.380 nan 0.000 0.424 488 F N 1.740 121.788 119.950 0.163 0.000 2.234 488 F HA 0.057 4.578 4.527 -0.009 0.000 0.299 488 F C 2.172 178.086 175.800 0.189 0.000 1.087 488 F CA 0.711 58.847 58.000 0.226 0.000 1.340 488 F CB -0.232 38.948 39.000 0.299 0.000 1.031 488 F HN 0.004 nan 8.300 nan 0.000 0.500 489 I N -0.067 120.652 120.570 0.249 0.000 2.315 489 I HA -0.258 3.907 4.170 -0.009 0.000 0.248 489 I C 2.155 178.253 176.117 -0.032 0.000 1.117 489 I CA 1.383 62.751 61.300 0.113 0.000 1.404 489 I CB -0.480 37.766 38.000 0.411 0.000 1.071 489 I HN 0.109 nan 8.210 nan 0.000 0.419 490 E N 0.417 120.685 120.200 0.113 0.000 2.110 490 E HA -0.265 4.080 4.350 -0.009 0.000 0.193 490 E C 2.225 178.801 176.600 -0.040 0.000 0.988 490 E CA 1.120 57.543 56.400 0.039 0.000 0.804 490 E CB -0.063 29.709 29.700 0.120 0.000 0.745 490 E HN 0.546 nan 8.360 nan 0.000 0.458 491 Q N 0.197 119.977 119.800 -0.033 0.000 2.046 491 Q HA -0.098 4.236 4.340 -0.009 0.000 0.200 491 Q C 2.362 178.281 176.000 -0.136 0.000 0.975 491 Q CA 0.924 56.706 55.803 -0.035 0.000 0.836 491 Q CB -0.015 28.753 28.738 0.050 0.000 0.896 491 Q HN 0.318 nan 8.270 nan 0.000 0.428 492 L N 0.263 121.300 121.223 -0.311 0.000 2.093 492 L HA -0.111 4.224 4.340 -0.009 0.000 0.208 492 L C 2.398 179.068 176.870 -0.333 0.000 1.085 492 L CA 1.486 56.107 54.840 -0.366 0.000 0.755 492 L CB -0.414 41.304 42.059 -0.567 0.000 0.904 492 L HN 0.360 nan 8.230 nan 0.000 0.435 493 T N -4.294 110.025 114.554 -0.391 0.000 3.086 493 T HA 0.238 4.582 4.350 -0.009 0.000 0.250 493 T C 1.460 176.039 174.700 -0.201 0.000 1.074 493 T CA 0.388 62.264 62.100 -0.374 0.000 0.988 493 T CB 0.575 69.125 68.868 -0.530 0.000 0.988 493 T HN 0.431 nan 8.240 nan 0.000 0.530 494 G N 0.988 109.704 108.800 -0.141 0.000 2.168 494 G HA2 -0.008 3.947 3.960 -0.009 0.000 0.263 494 G HA3 -0.008 3.947 3.960 -0.009 0.000 0.263 494 G C 1.204 176.060 174.900 -0.073 0.000 0.977 494 G CA 0.545 45.598 45.100 -0.079 0.000 0.659 494 G HN 1.798 nan 8.290 nan 0.000 0.533 495 G N -1.585 107.154 108.800 -0.103 0.000 2.199 495 G HA2 0.057 4.011 3.960 -0.009 0.000 0.254 495 G HA3 0.057 4.011 3.960 -0.009 0.000 0.254 495 G C 0.770 175.608 174.900 -0.104 0.000 0.982 495 G CA 1.498 46.542 45.100 -0.093 0.000 0.632 495 G HN 2.465 nan 8.290 nan 0.000 0.529 496 S N -0.520 115.122 115.700 -0.096 0.000 2.562 496 S HA 0.616 5.081 4.470 -0.009 0.000 0.275 496 S C 1.116 175.664 174.600 -0.086 0.000 1.281 496 S CA 0.446 58.600 58.200 -0.078 0.000 1.045 496 S CB 2.006 65.173 63.200 -0.054 0.000 0.962 496 S HN 0.565 nan 8.310 nan 0.000 0.503 497 R N 1.276 121.733 120.500 -0.071 0.000 2.153 497 R HA -0.000 4.334 4.340 -0.009 0.000 0.218 497 R C 1.928 178.210 176.300 -0.030 0.000 1.072 497 R CA 1.294 57.357 56.100 -0.061 0.000 0.990 497 R CB -0.298 29.968 30.300 -0.056 0.000 0.889 497 R HN 0.834 nan 8.270 nan 0.000 0.452 498 E N 0.542 120.727 120.200 -0.024 0.000 2.077 498 E HA -0.145 4.199 4.350 -0.009 0.000 0.193 498 E C 1.540 178.144 176.600 0.007 0.000 0.989 498 E CA 1.321 57.718 56.400 -0.005 0.000 0.800 498 E CB -0.069 29.629 29.700 -0.004 0.000 0.746 498 E HN 0.273 nan 8.360 nan 0.000 0.452 499 I N 0.270 120.830 120.570 -0.016 0.000 2.353 499 I HA -0.173 3.992 4.170 -0.009 0.000 0.248 499 I C 2.259 178.375 176.117 -0.001 0.000 1.119 499 I CA 1.172 62.462 61.300 -0.018 0.000 1.417 499 I CB -0.817 37.139 38.000 -0.073 0.000 1.078 499 I HN 0.308 nan 8.210 nan 0.000 0.421 500 M N -0.481 119.103 119.600 -0.026 0.000 2.213 500 M HA -0.192 4.283 4.480 -0.009 0.000 0.263 500 M C 2.366 178.780 176.300 0.189 0.000 1.062 500 M CA 1.456 56.794 55.300 0.062 0.000 1.105 500 M CB -0.295 32.317 32.600 0.019 0.000 1.385 500 M HN 0.159 nan 8.290 nan 0.000 0.417 501 R N 0.039 120.597 120.500 0.097 0.000 2.075 501 R HA -0.066 4.269 4.340 -0.009 0.000 0.220 501 R C 2.296 178.641 176.300 0.075 0.000 1.118 501 R CA 1.744 57.886 56.100 0.070 0.000 0.986 501 R CB -0.253 30.060 30.300 0.022 0.000 0.884 501 R HN 0.371 nan 8.270 nan 0.000 0.439 502 S N 0.374 116.131 115.700 0.095 0.000 2.423 502 S HA -0.003 4.462 4.470 -0.009 0.000 0.231 502 S C 1.483 176.226 174.600 0.238 0.000 1.014 502 S CA 0.420 58.708 58.200 0.146 0.000 0.965 502 S CB -0.005 63.268 63.200 0.121 0.000 0.785 502 S HN 0.255 nan 8.310 nan 0.000 0.495 503 R N 1.437 122.085 120.500 0.248 0.000 2.388 503 R HA 0.396 4.730 4.340 -0.009 0.000 0.247 503 R C -0.347 176.215 176.300 0.438 0.000 0.931 503 R CA -0.004 56.296 56.100 0.333 0.000 1.082 503 R CB -0.228 30.280 30.300 0.346 0.000 1.135 503 R HN 0.299 nan 8.270 nan 0.000 0.525 504 S N 2.739 118.619 115.700 0.301 0.000 2.438 504 S HA 0.220 4.685 4.470 -0.009 0.000 0.293 504 S C -1.572 173.070 174.600 0.070 0.000 1.141 504 S CA -1.208 57.091 58.200 0.165 0.000 1.080 504 S CB 1.852 65.101 63.200 0.081 0.000 0.978 504 S HN 0.029 nan 8.310 nan 0.000 0.479 505 P HA -0.081 nan 4.420 nan 0.000 0.221 505 P C 1.267 178.539 177.300 -0.046 0.000 1.145 505 P CA 0.608 63.710 63.100 0.002 0.000 0.795 505 P CB 0.090 31.745 31.700 -0.076 0.000 0.775 506 I N -0.143 120.377 120.570 -0.084 0.000 2.614 506 I HA -0.137 4.028 4.170 -0.009 0.000 0.258 506 I C 1.322 177.360 176.117 -0.131 0.000 1.189 506 I CA 1.133 62.368 61.300 -0.108 0.000 1.462 506 I CB -0.200 37.733 38.000 -0.110 0.000 1.092 506 I HN -0.155 nan 8.210 nan 0.000 0.442 507 N N -0.092 118.487 118.700 -0.203 0.000 2.461 507 N HA -0.015 4.720 4.740 -0.009 0.000 0.188 507 N C 0.246 175.484 175.510 -0.454 0.000 1.134 507 N CA 0.615 53.464 53.050 -0.336 0.000 0.878 507 N CB 0.008 38.238 38.487 -0.429 0.000 0.972 507 N HN 0.491 nan 8.380 nan 0.000 0.456 508 H N -0.690 118.359 119.070 -0.035 0.000 2.637 508 H HA 0.244 4.795 4.556 -0.009 0.000 0.245 508 H C 1.325 176.626 175.328 -0.044 0.000 1.190 508 H CA -0.212 55.814 56.048 -0.035 0.000 0.934 508 H CB 0.297 30.037 29.762 -0.035 0.000 1.950 508 H HN -0.107 nan 8.280 nan 0.000 0.614 509 V N 0.301 120.227 119.914 0.020 0.000 2.626 509 V HA -0.180 3.934 4.120 -0.009 0.000 0.252 509 V C 2.246 178.338 176.094 -0.002 0.000 1.067 509 V CA 1.945 64.237 62.300 -0.015 0.000 1.081 509 V CB -0.029 31.757 31.823 -0.061 0.000 0.686 509 V HN 0.355 nan 8.190 nan 0.000 0.468 510 D N 0.261 120.667 120.400 0.011 0.000 2.309 510 D HA -0.152 4.482 4.640 -0.009 0.000 0.212 510 D C 2.215 178.526 176.300 0.017 0.000 0.968 510 D CA 0.918 54.925 54.000 0.012 0.000 0.882 510 D CB -0.081 40.728 40.800 0.015 0.000 0.918 510 D HN 0.236 nan 8.370 nan 0.000 0.503 511 R N -0.239 120.276 120.500 0.025 0.000 2.297 511 R HA 0.162 4.497 4.340 -0.009 0.000 0.197 511 R C 0.459 176.764 176.300 0.008 0.000 0.943 511 R CA -0.113 55.994 56.100 0.012 0.000 1.038 511 R CB 0.369 30.670 30.300 0.001 0.000 0.957 511 R HN 0.289 nan 8.270 nan 0.000 0.484 512 I N 1.746 122.323 120.570 0.011 0.000 2.529 512 I HA -0.025 4.140 4.170 -0.009 0.000 0.284 512 I C 1.149 177.282 176.117 0.026 0.000 1.082 512 I CA 0.498 61.807 61.300 0.015 0.000 1.406 512 I CB 0.799 38.804 38.000 0.008 0.000 1.405 512 I HN -0.173 nan 8.210 nan 0.000 0.548 513 K N 3.892 124.314 120.400 0.036 0.000 2.502 513 K HA 0.255 4.570 4.320 -0.009 0.000 0.211 513 K C -0.062 176.575 176.600 0.062 0.000 1.259 513 K CA 0.084 56.396 56.287 0.042 0.000 0.983 513 K CB 0.714 33.232 32.500 0.031 0.000 1.054 513 K HN 0.504 nan 8.250 nan 0.000 0.572 514 E N 1.538 121.784 120.200 0.078 0.000 2.222 514 E HA 0.296 4.641 4.350 -0.009 0.000 0.272 514 E C -2.657 174.027 176.600 0.140 0.000 0.982 514 E CA -2.216 54.250 56.400 0.109 0.000 0.842 514 E CB 0.814 30.590 29.700 0.128 0.000 1.144 514 E HN -0.179 nan 8.360 nan 0.000 0.397 515 P HA -0.008 nan 4.420 nan 0.000 0.264 515 P C -1.198 176.277 177.300 0.291 0.000 1.183 515 P CA -0.040 63.217 63.100 0.261 0.000 0.763 515 P CB 0.331 32.227 31.700 0.328 0.000 0.807 516 L N 2.979 124.316 121.223 0.191 0.000 2.385 516 L HA 0.739 5.074 4.340 -0.009 0.000 0.273 516 L C -1.053 175.695 176.870 -0.203 0.000 0.990 516 L CA -0.891 53.968 54.840 0.031 0.000 0.821 516 L CB 1.695 43.771 42.059 0.028 0.000 1.279 516 L HN 0.404 nan 8.230 nan 0.000 0.412 517 A N 6.093 128.603 122.820 -0.517 0.000 2.287 517 A HA 0.756 5.071 4.320 -0.009 0.000 0.317 517 A C -1.249 176.155 177.584 -0.299 0.000 1.220 517 A CA -0.488 51.158 52.037 -0.651 0.000 0.835 517 A CB 0.506 18.699 19.000 -1.345 0.000 1.180 517 A HN 0.697 nan 8.150 nan 0.000 0.500 518 L N 3.126 124.249 121.223 -0.167 0.000 2.307 518 L HA 0.605 4.940 4.340 -0.009 0.000 0.284 518 L C -0.756 176.102 176.870 -0.021 0.000 1.023 518 L CA -0.323 54.471 54.840 -0.078 0.000 0.810 518 L CB 1.481 43.511 42.059 -0.048 0.000 1.231 518 L HN 0.594 nan 8.230 nan 0.000 0.423 519 I N 2.103 122.690 120.570 0.028 0.000 2.533 519 I HA 0.402 4.566 4.170 -0.009 0.000 0.290 519 I C -1.068 175.124 176.117 0.124 0.000 1.056 519 I CA -0.405 60.947 61.300 0.086 0.000 1.057 519 I CB 2.052 40.081 38.000 0.048 0.000 1.240 519 I HN 0.538 nan 8.210 nan 0.000 0.423 520 H N 5.910 124.986 119.070 0.010 0.000 3.128 520 H HA 0.368 4.918 4.556 -0.010 0.000 0.336 520 H C -2.789 172.551 175.328 0.021 0.000 1.026 520 H CA -1.250 54.792 56.048 -0.009 0.000 1.376 520 H CB 2.642 32.383 29.762 -0.035 0.000 1.882 520 H HN 0.196 nan 8.280 nan 0.000 0.479 521 P HA 0.025 nan 4.420 nan 0.000 0.276 521 P C 0.265 177.614 177.300 0.081 0.000 1.235 521 P CA -0.223 62.890 63.100 0.022 0.000 0.772 521 P CB 1.002 32.700 31.700 -0.004 0.000 0.871 522 Q N 2.842 122.692 119.800 0.083 0.000 2.119 522 Q HA -0.133 4.202 4.340 -0.009 0.000 0.201 522 Q C 0.429 176.470 176.000 0.068 0.000 0.972 522 Q CA 1.499 57.354 55.803 0.086 0.000 0.847 522 Q CB -0.511 28.260 28.738 0.055 0.000 0.903 522 Q HN 0.274 nan 8.270 nan 0.000 0.433 523 N N 1.401 120.130 118.700 0.048 0.000 2.320 523 N HA 0.063 4.798 4.740 -0.009 0.000 0.237 523 N C -0.935 174.590 175.510 0.026 0.000 1.129 523 N CA 0.007 53.076 53.050 0.030 0.000 0.854 523 N CB 0.258 38.757 38.487 0.019 0.000 1.083 523 N HN 0.290 nan 8.380 nan 0.000 0.504 524 D N 0.981 121.403 120.400 0.038 0.000 2.434 524 D HA -0.021 4.613 4.640 -0.009 0.000 0.252 524 D C 0.994 177.281 176.300 -0.021 0.000 1.185 524 D CA 0.373 54.386 54.000 0.021 0.000 0.886 524 D CB 0.856 41.653 40.800 -0.004 0.000 1.148 524 D HN 0.218 nan 8.370 nan 0.000 0.483 525 S N 3.549 119.210 115.700 -0.066 0.000 2.540 525 S HA 0.119 4.584 4.470 -0.009 0.000 0.218 525 S C 1.378 175.791 174.600 -0.311 0.000 0.977 525 S CA -0.306 57.819 58.200 -0.125 0.000 0.918 525 S CB 0.490 63.645 63.200 -0.075 0.000 0.806 525 S HN 0.432 nan 8.310 nan 0.000 0.496 526 R N 1.738 121.984 120.500 -0.423 0.000 2.062 526 R HA 0.112 4.447 4.340 -0.009 0.000 0.218 526 R C 0.336 176.331 176.300 -0.508 0.000 1.161 526 R CA 1.380 56.989 56.100 -0.818 0.000 0.994 526 R CB -0.640 29.117 30.300 -0.904 0.000 0.888 526 R HN 0.537 nan 8.270 nan 0.000 0.442 527 T N 1.457 115.841 114.554 -0.285 0.000 3.053 527 T HA 0.365 4.710 4.350 -0.009 0.000 0.363 527 T C -2.597 172.137 174.700 0.056 0.000 1.239 527 T CA -2.231 59.803 62.100 -0.110 0.000 1.071 527 T CB 1.603 70.436 68.868 -0.059 0.000 1.089 527 T HN -0.070 nan 8.240 nan 0.000 0.527 528 P HA 0.168 nan 4.420 nan 0.000 0.274 528 P C 0.856 178.192 177.300 0.060 0.000 1.237 528 P CA -0.796 62.328 63.100 0.041 0.000 0.793 528 P CB 1.090 32.773 31.700 -0.029 0.000 0.977 529 L N 1.880 123.129 121.223 0.044 0.000 2.217 529 L HA -0.066 4.269 4.340 -0.009 0.000 0.211 529 L C 2.404 179.181 176.870 -0.155 0.000 1.107 529 L CA 1.797 56.580 54.840 -0.095 0.000 0.783 529 L CB -1.002 41.068 42.059 0.019 0.000 0.919 529 L HN 0.334 nan 8.230 nan 0.000 0.442 530 K N 0.042 120.388 120.400 -0.089 0.000 2.009 530 K HA -0.127 4.188 4.320 -0.009 0.000 0.210 530 K C -0.591 175.944 176.600 -0.109 0.000 1.049 530 K CA 1.874 58.111 56.287 -0.082 0.000 0.929 530 K CB -1.020 31.449 32.500 -0.051 0.000 0.714 530 K HN 0.322 nan 8.250 nan 0.000 0.440 531 P HA -0.147 nan 4.420 nan 0.000 0.223 531 P C 1.431 178.625 177.300 -0.176 0.000 1.151 531 P CA 0.900 63.923 63.100 -0.129 0.000 0.787 531 P CB 0.031 31.659 31.700 -0.120 0.000 0.788 532 L N -0.481 120.596 121.223 -0.245 0.000 2.093 532 L HA -0.087 4.248 4.340 -0.009 0.000 0.208 532 L C 2.537 179.269 176.870 -0.229 0.000 1.085 532 L CA 1.422 56.083 54.840 -0.299 0.000 0.755 532 L CB -1.068 40.673 42.059 -0.530 0.000 0.904 532 L HN -0.199 nan 8.230 nan 0.000 0.435 533 L N -0.872 120.242 121.223 -0.182 0.000 2.083 533 L HA -0.232 4.103 4.340 -0.009 0.000 0.209 533 L C 2.740 179.533 176.870 -0.127 0.000 1.083 533 L CA 1.467 56.230 54.840 -0.128 0.000 0.752 533 L CB -0.577 41.428 42.059 -0.090 0.000 0.899 533 L HN 0.285 nan 8.230 nan 0.000 0.433 534 R N 0.203 120.627 120.500 -0.127 0.000 2.092 534 R HA -0.172 4.163 4.340 -0.009 0.000 0.231 534 R C 2.307 178.517 176.300 -0.151 0.000 1.119 534 R CA 1.013 57.042 56.100 -0.118 0.000 0.970 534 R CB -0.152 30.088 30.300 -0.099 0.000 0.864 534 R HN 0.172 nan 8.270 nan 0.000 0.440 535 L N 0.659 121.772 121.223 -0.182 0.000 2.046 535 L HA -0.148 4.187 4.340 -0.009 0.000 0.208 535 L C 2.030 178.715 176.870 -0.309 0.000 1.077 535 L CA 1.819 56.526 54.840 -0.221 0.000 0.747 535 L CB -0.272 41.652 42.059 -0.226 0.000 0.896 535 L HN 0.251 nan 8.230 nan 0.000 0.432 536 M N -1.031 118.368 119.600 -0.335 0.000 2.159 536 M HA -0.139 4.335 4.480 -0.009 0.000 0.263 536 M C 2.132 178.229 176.300 -0.338 0.000 1.063 536 M CA 1.677 56.687 55.300 -0.484 0.000 1.110 536 M CB -0.993 31.453 32.600 -0.258 0.000 1.374 536 M HN 0.497 nan 8.290 nan 0.000 0.411 537 G N -0.108 108.579 108.800 -0.188 0.000 2.422 537 G HA2 -0.190 3.764 3.960 -0.009 0.000 0.218 537 G HA3 -0.190 3.764 3.960 -0.009 0.000 0.218 537 G C 1.457 176.284 174.900 -0.122 0.000 1.146 537 G CA 0.692 45.722 45.100 -0.116 0.000 0.769 537 G HN 0.365 nan 8.290 nan 0.000 0.547 538 E N 0.321 120.427 120.200 -0.157 0.000 2.072 538 E HA 0.025 4.370 4.350 -0.009 0.000 0.190 538 E C 2.756 179.268 176.600 -0.147 0.000 0.982 538 E CA 0.275 56.596 56.400 -0.132 0.000 0.803 538 E CB -0.312 29.310 29.700 -0.130 0.000 0.755 538 E HN 0.426 nan 8.360 nan 0.000 0.453 539 L N 0.640 121.709 121.223 -0.257 0.000 2.012 539 L HA -0.214 4.121 4.340 -0.009 0.000 0.210 539 L C 2.643 179.449 176.870 -0.107 0.000 1.073 539 L CA 0.760 55.437 54.840 -0.272 0.000 0.748 539 L CB -0.540 41.117 42.059 -0.671 0.000 0.891 539 L HN 0.138 nan 8.230 nan 0.000 0.431 540 L N 0.347 121.516 121.223 -0.090 0.000 1.989 540 L HA -0.176 4.159 4.340 -0.009 0.000 0.211 540 L C 2.568 179.462 176.870 0.041 0.000 1.071 540 L CA 2.160 57.056 54.840 0.094 0.000 0.749 540 L CB -0.723 41.400 42.059 0.107 0.000 0.890 540 L HN 0.154 nan 8.230 nan 0.000 0.431 541 A N -0.902 121.915 122.820 -0.005 0.000 2.121 541 A HA -0.114 4.201 4.320 -0.009 0.000 0.218 541 A C 2.173 179.756 177.584 -0.002 0.000 1.154 541 A CA 1.333 53.367 52.037 -0.005 0.000 0.679 541 A CB -0.497 18.491 19.000 -0.021 0.000 0.795 541 A HN 0.553 nan 8.150 nan 0.000 0.458 542 R N -1.518 118.979 120.500 -0.006 0.000 2.468 542 R HA 0.271 4.605 4.340 -0.009 0.000 0.280 542 R C 1.018 177.329 176.300 0.018 0.000 0.963 542 R CA 0.424 56.524 56.100 -0.000 0.000 1.083 542 R CB 0.156 30.448 30.300 -0.014 0.000 1.200 542 R HN 0.555 nan 8.270 nan 0.000 0.541 543 G N 1.969 110.790 108.800 0.036 0.000 2.179 543 G HA2 -0.282 3.672 3.960 -0.009 0.000 0.257 543 G HA3 -0.282 3.672 3.960 -0.009 0.000 0.257 543 G C -0.156 174.787 174.900 0.072 0.000 1.010 543 G CA 0.188 45.319 45.100 0.053 0.000 0.736 543 G HN 0.076 nan 8.290 nan 0.000 0.513 544 K N 0.679 121.131 120.400 0.087 0.000 2.185 544 K HA 0.434 4.749 4.320 -0.009 0.000 0.271 544 K C 0.566 177.288 176.600 0.203 0.000 1.013 544 K CA -0.212 56.140 56.287 0.109 0.000 0.943 544 K CB 0.730 33.268 32.500 0.065 0.000 0.998 544 K HN 0.104 nan 8.250 nan 0.000 0.468 545 T N 4.136 118.790 114.554 0.166 0.000 2.779 545 T HA 0.380 4.725 4.350 -0.009 0.000 0.296 545 T C -0.081 174.775 174.700 0.260 0.000 0.938 545 T CA -0.084 62.115 62.100 0.166 0.000 1.119 545 T CB -0.477 68.461 68.868 0.117 0.000 0.891 545 T HN 0.461 nan 8.240 nan 0.000 0.526 546 F N 0.726 120.676 119.950 -0.000 0.000 2.686 546 F HA 0.804 5.326 4.527 -0.010 0.000 0.311 546 F C -0.873 174.884 175.800 -0.071 0.000 1.128 546 F CA -1.321 56.653 58.000 -0.042 0.000 0.946 546 F CB 1.676 40.633 39.000 -0.071 0.000 1.336 546 F HN 0.410 nan 8.300 nan 0.000 0.457 547 E N 1.417 121.532 120.200 -0.141 0.000 2.288 547 E HA 0.806 5.151 4.350 -0.009 0.000 0.268 547 E C -1.806 174.663 176.600 -0.218 0.000 0.885 547 E CA -1.273 54.946 56.400 -0.302 0.000 0.767 547 E CB 2.332 31.872 29.700 -0.265 0.000 1.220 547 E HN 1.111 nan 8.360 nan 0.000 0.427 548 A N 3.341 125.936 122.820 -0.376 0.000 2.515 548 A HA 0.610 4.925 4.320 -0.009 0.000 0.298 548 A C -1.734 175.525 177.584 -0.541 0.000 1.059 548 A CA -0.663 51.206 52.037 -0.280 0.000 0.698 548 A CB 1.438 20.436 19.000 -0.003 0.000 1.289 548 A HN 0.672 nan 8.150 nan 0.000 0.404 549 H N 1.712 120.784 119.070 0.003 0.000 3.108 549 H HA 0.387 4.936 4.556 -0.010 0.000 0.329 549 H C -1.314 174.031 175.328 0.028 0.000 0.978 549 H CA -0.242 55.810 56.048 0.006 0.000 1.413 549 H CB 1.204 30.957 29.762 -0.014 0.000 1.670 549 H HN 0.551 nan 8.280 nan 0.000 0.512 550 I N 4.445 125.096 120.570 0.135 0.000 2.359 550 I HA 0.175 4.340 4.170 -0.009 0.000 0.294 550 I C -0.054 176.117 176.117 0.091 0.000 0.987 550 I CA -0.738 60.627 61.300 0.107 0.000 1.225 550 I CB 1.342 39.386 38.000 0.074 0.000 1.366 550 I HN 0.287 nan 8.210 nan 0.000 0.466 551 I N 8.298 128.916 120.570 0.081 0.000 2.359 551 I HA 0.391 4.555 4.170 -0.009 0.000 0.294 551 I C -2.163 173.982 176.117 0.047 0.000 0.987 551 I CA -3.027 58.307 61.300 0.056 0.000 1.225 551 I CB 0.826 38.855 38.000 0.048 0.000 1.366 551 I HN 0.261 nan 8.210 nan 0.000 0.466 552 P HA 0.209 nan 4.420 nan 0.000 0.281 552 P C -0.665 176.651 177.300 0.026 0.000 1.249 552 P CA -0.170 62.948 63.100 0.030 0.000 0.810 552 P CB 0.692 32.407 31.700 0.024 0.000 1.008 553 D N -1.020 119.395 120.400 0.024 0.000 2.692 553 D HA -0.134 4.501 4.640 -0.009 0.000 0.233 553 D C -0.147 176.169 176.300 0.025 0.000 1.172 553 D CA 1.587 55.599 54.000 0.021 0.000 0.636 553 D CB -1.443 39.366 40.800 0.015 0.000 1.028 553 D HN 0.643 nan 8.370 nan 0.000 0.419 554 A N -0.939 121.900 122.820 0.032 0.000 2.572 554 A HA 0.862 5.176 4.320 -0.009 0.000 0.295 554 A C 0.429 178.038 177.584 0.043 0.000 1.072 554 A CA -0.021 52.039 52.037 0.039 0.000 0.691 554 A CB 2.079 21.103 19.000 0.041 0.000 1.291 554 A HN 0.312 nan 8.150 nan 0.000 0.404 555 G N -1.195 107.638 108.800 0.055 0.000 3.262 555 G HA2 0.440 4.395 3.960 -0.009 0.000 0.229 555 G HA3 0.440 4.395 3.960 -0.009 0.000 0.229 555 G C 0.380 175.345 174.900 0.108 0.000 1.280 555 G CA 0.185 45.327 45.100 0.070 0.000 0.951 555 G HN 0.927 nan 8.290 nan 0.000 0.589 556 H N -0.413 118.681 119.070 0.039 0.000 2.421 556 H HA 0.249 4.800 4.556 -0.008 0.000 0.298 556 H C 1.470 176.897 175.328 0.166 0.000 1.087 556 H CA 1.655 57.761 56.048 0.097 0.000 1.330 556 H CB 0.030 29.829 29.762 0.061 0.000 1.388 556 H HN 0.487 nan 8.280 nan 0.000 0.526 557 A N 0.471 123.405 122.820 0.190 0.000 2.256 557 A HA 0.430 4.745 4.320 -0.009 0.000 0.317 557 A C -0.539 177.085 177.584 0.066 0.000 1.318 557 A CA -0.606 51.500 52.037 0.115 0.000 0.894 557 A CB -0.181 18.917 19.000 0.163 0.000 1.165 557 A HN 0.277 nan 8.150 nan 0.000 0.525 558 I N 2.949 123.521 120.570 0.002 0.000 2.529 558 I HA 0.141 4.305 4.170 -0.009 0.000 0.284 558 I C 1.106 177.274 176.117 0.084 0.000 1.082 558 I CA 0.091 61.410 61.300 0.032 0.000 1.406 558 I CB 0.776 38.771 38.000 -0.008 0.000 1.405 558 I HN 0.791 nan 8.210 nan 0.000 0.548 559 N N 2.869 121.669 118.700 0.167 0.000 2.167 559 N HA 0.049 4.783 4.740 -0.009 0.000 0.234 559 N C -0.247 175.406 175.510 0.240 0.000 1.312 559 N CA -0.222 52.985 53.050 0.262 0.000 0.861 559 N CB 0.458 39.037 38.487 0.152 0.000 1.217 559 N HN 0.637 nan 8.380 nan 0.000 0.504 560 T N -3.281 111.378 114.554 0.174 0.000 2.916 560 T HA 0.506 4.851 4.350 -0.009 0.000 0.292 560 T C 0.943 175.648 174.700 0.008 0.000 1.064 560 T CA -0.725 61.373 62.100 -0.003 0.000 1.011 560 T CB 1.809 70.665 68.868 -0.020 0.000 1.152 560 T HN -0.101 nan 8.240 nan 0.000 0.510 561 M N 0.346 119.827 119.600 -0.197 0.000 2.447 561 M HA 0.098 4.573 4.480 -0.009 0.000 0.264 561 M C 2.178 178.463 176.300 -0.025 0.000 1.095 561 M CA 0.952 56.180 55.300 -0.120 0.000 1.125 561 M CB -0.180 32.271 32.600 -0.249 0.000 1.389 561 M HN 0.762 nan 8.290 nan 0.000 0.459 562 E N 0.571 120.748 120.200 -0.038 0.000 2.072 562 E HA -0.190 4.154 4.350 -0.009 0.000 0.191 562 E C 1.239 177.839 176.600 0.000 0.000 0.985 562 E CA 1.084 57.471 56.400 -0.021 0.000 0.801 562 E CB -0.035 29.650 29.700 -0.025 0.000 0.750 562 E HN 0.469 nan 8.360 nan 0.000 0.452 563 D N 0.285 120.699 120.400 0.023 0.000 2.183 563 D HA -0.053 4.582 4.640 -0.009 0.000 0.203 563 D C 1.786 178.113 176.300 0.045 0.000 0.969 563 D CA 0.976 54.997 54.000 0.035 0.000 0.842 563 D CB -0.145 40.685 40.800 0.051 0.000 0.957 563 D HN 0.122 nan 8.370 nan 0.000 0.484 564 A N 0.474 123.343 122.820 0.081 0.000 1.930 564 A HA -0.108 4.207 4.320 -0.009 0.000 0.217 564 A C 2.437 180.051 177.584 0.050 0.000 1.175 564 A CA 0.961 53.051 52.037 0.088 0.000 0.627 564 A CB -0.644 18.459 19.000 0.171 0.000 0.815 564 A HN 0.134 nan 8.150 nan 0.000 0.443 565 V N 0.214 120.140 119.914 0.021 0.000 2.343 565 V HA -0.255 3.859 4.120 -0.009 0.000 0.247 565 V C 2.369 178.415 176.094 -0.081 0.000 1.051 565 V CA 2.304 64.584 62.300 -0.032 0.000 1.036 565 V CB -0.614 31.184 31.823 -0.041 0.000 0.654 565 V HN 0.543 nan 8.190 nan 0.000 0.451 566 K N -0.655 119.710 120.400 -0.060 0.000 2.217 566 K HA -0.029 4.286 4.320 -0.009 0.000 0.202 566 K C 1.853 178.401 176.600 -0.088 0.000 1.051 566 K CA 1.097 57.332 56.287 -0.086 0.000 0.952 566 K CB -0.106 32.367 32.500 -0.044 0.000 0.736 566 K HN 0.339 nan 8.250 nan 0.000 0.453 567 I N 0.122 120.669 120.570 -0.039 0.000 3.030 567 I HA -0.123 4.042 4.170 -0.009 0.000 0.270 567 I C 1.614 177.683 176.117 -0.080 0.000 1.211 567 I CA 0.499 61.789 61.300 -0.017 0.000 1.479 567 I CB 0.370 38.401 38.000 0.052 0.000 1.105 567 I HN 0.055 nan 8.210 nan 0.000 0.447 568 L N -1.274 119.894 121.223 -0.092 0.000 2.467 568 L HA 0.201 4.535 4.340 -0.009 0.000 0.213 568 L C 1.791 178.530 176.870 -0.219 0.000 1.053 568 L CA 1.094 55.843 54.840 -0.152 0.000 0.847 568 L CB -0.407 41.661 42.059 0.015 0.000 1.075 568 L HN 0.048 nan 8.230 nan 0.000 0.479 569 L N 1.055 122.122 121.223 -0.259 0.000 2.046 569 L HA -0.003 4.331 4.340 -0.009 0.000 0.208 569 L C -0.676 175.856 176.870 -0.563 0.000 1.077 569 L CA 2.110 56.677 54.840 -0.455 0.000 0.747 569 L CB -1.597 40.154 42.059 -0.513 0.000 0.896 569 L HN 0.178 nan 8.230 nan 0.000 0.432 570 P HA -0.078 nan 4.420 nan 0.000 0.221 570 P C 1.439 178.690 177.300 -0.081 0.000 1.150 570 P CA 1.645 64.557 63.100 -0.314 0.000 0.800 570 P CB -0.142 31.219 31.700 -0.565 0.000 0.787 571 A N -0.368 122.371 122.820 -0.135 0.000 1.873 571 A HA -0.123 4.191 4.320 -0.009 0.000 0.215 571 A C 2.304 179.851 177.584 -0.061 0.000 1.186 571 A CA 1.769 53.749 52.037 -0.095 0.000 0.616 571 A CB -1.632 17.233 19.000 -0.225 0.000 0.823 571 A HN 0.030 nan 8.150 nan 0.000 0.442 572 V N -0.958 118.879 119.914 -0.128 0.000 2.358 572 V HA -0.230 3.885 4.120 -0.009 0.000 0.246 572 V C 2.312 178.423 176.094 0.028 0.000 1.047 572 V CA 1.754 63.997 62.300 -0.095 0.000 1.035 572 V CB -1.039 30.737 31.823 -0.079 0.000 0.658 572 V HN 0.613 nan 8.190 nan 0.000 0.452 573 F N -0.762 119.074 119.950 -0.191 0.000 2.126 573 F HA -0.258 4.263 4.527 -0.010 0.000 0.299 573 F C 2.315 178.051 175.800 -0.107 0.000 1.096 573 F CA 1.838 59.677 58.000 -0.269 0.000 1.255 573 F CB -0.290 38.639 39.000 -0.118 0.000 0.997 573 F HN 0.241 nan 8.300 nan 0.000 0.479 574 F N 0.910 120.898 119.950 0.064 0.000 2.146 574 F HA -0.155 4.375 4.527 0.005 0.000 0.298 574 F C 1.878 177.637 175.800 -0.069 0.000 1.096 574 F CA 1.453 59.467 58.000 0.024 0.000 1.275 574 F CB -0.488 38.519 39.000 0.012 0.000 1.008 574 F HN -0.198 nan 8.300 nan 0.000 0.480 575 L N -0.325 120.757 121.223 -0.235 0.000 2.240 575 L HA -0.043 4.291 4.340 -0.009 0.000 0.211 575 L C 2.671 179.414 176.870 -0.213 0.000 1.106 575 L CA 0.860 55.386 54.840 -0.525 0.000 0.793 575 L CB -0.920 40.681 42.059 -0.764 0.000 0.927 575 L HN 0.231 nan 8.230 nan 0.000 0.446 576 A N -0.606 122.202 122.820 -0.020 0.000 1.968 576 A HA -0.134 4.181 4.320 -0.009 0.000 0.217 576 A C 2.328 179.936 177.584 0.039 0.000 1.169 576 A CA 1.893 53.962 52.037 0.054 0.000 0.638 576 A CB -0.626 18.270 19.000 -0.174 0.000 0.812 576 A HN 0.314 nan 8.150 nan 0.000 0.446 577 T N -0.102 114.447 114.554 -0.008 0.000 2.777 577 T HA -0.118 4.227 4.350 -0.009 0.000 0.266 577 T C 2.039 176.709 174.700 -0.050 0.000 1.040 577 T CA 1.418 63.547 62.100 0.050 0.000 1.141 577 T CB -0.185 68.707 68.868 0.040 0.000 0.868 577 T HN 0.420 nan 8.240 nan 0.000 0.444 578 Q N 0.603 120.285 119.800 -0.197 0.000 2.224 578 Q HA 0.016 4.350 4.340 -0.009 0.000 0.203 578 Q C 2.371 178.420 176.000 0.081 0.000 0.970 578 Q CA 0.882 56.618 55.803 -0.112 0.000 0.865 578 Q CB -0.222 28.381 28.738 -0.225 0.000 0.922 578 Q HN 0.482 nan 8.270 nan 0.000 0.445 579 R N 0.729 121.282 120.500 0.088 0.000 2.090 579 R HA -0.085 4.250 4.340 -0.009 0.000 0.228 579 R C 1.824 178.171 176.300 0.080 0.000 1.110 579 R CA 0.997 57.191 56.100 0.156 0.000 0.973 579 R CB 0.130 30.503 30.300 0.122 0.000 0.869 579 R HN -0.040 nan 8.270 nan 0.000 0.440 580 E N 0.453 120.689 120.200 0.059 0.000 2.463 580 E HA -0.096 4.249 4.350 -0.009 0.000 0.201 580 E C 1.598 178.216 176.600 0.030 0.000 1.045 580 E CA 0.547 56.972 56.400 0.041 0.000 0.872 580 E CB -0.250 29.480 29.700 0.050 0.000 0.797 580 E HN 0.303 nan 8.360 nan 0.000 0.538 581 R N -0.267 120.257 120.500 0.041 0.000 2.189 581 R HA 0.084 4.419 4.340 -0.009 0.000 0.203 581 R C 1.329 177.648 176.300 0.032 0.000 1.012 581 R CA 1.177 57.296 56.100 0.032 0.000 1.015 581 R CB -0.338 29.983 30.300 0.034 0.000 0.938 581 R HN 0.255 nan 8.270 nan 0.000 0.472 582 R N 0.000 120.526 120.500 0.043 0.000 2.786 582 R HA 0.000 4.335 4.340 -0.009 0.000 0.208 582 R CA 0.000 56.118 56.100 0.030 0.000 0.921 582 R CB 0.000 30.311 30.300 0.019 0.000 0.687 582 R HN 0.000 nan 8.270 nan 0.000 0.535