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 1mz6_1_A DATA FIRST_RESID 1 DATA SEQUENCE LAPGSSRVEL FKRKNSTVPF EESNGTIRER VVHSFRIPTI VNVDGVMVAT DATA SEQUENCE ADARYETSFD NSFIETAVKY SVDDGATWNT QIAIKNSRAS SVSRVMDATV DATA SEQUENCE IVKGNKLYIL VGSFNKTRNS WTQHRDGSDW EPLLVVGEVT KSAANGKTTA DATA SEQUENCE TISWGKPVSL KPLFPAEFDG ILTKEFVGGV GAAIVGSNGN LVYPVQIADM DATA SEQUENCE GGRVFTKIMY SEDDGNTWKF AEGRSKFGCS EPAVLEWEGK LIINNRVDGN DATA SEQUENCE RRLVYESSDM GKTWVEALGT LSHVWTNSPT SNQQDCQSSF VAVTIEGKRV DATA SEQUENCE MLFTHPLNLK GRWMRDRLHL WMTDNQRIFD VGQISIGDEN SGYSSVLYKD DATA SEQUENCE DKLYSLHEIN TNDVYSLVFV RFIGELQLMK SVVRTWKEED NHLASIcTPV DATA SEQUENCE VPAXXXXXXX cGAAVPTAGL VGFLSHSANG SVWEDVYRCV DANVANAERV DATA SEQUENCE PNGLKFNGVG GGAVWPVARQ GQTRRYQFAN YRFTLVATVT IDELPKGTSP DATA SEQUENCE LLGAGLEGPG DAKLLGLSYD KNRQWRPLYG AAPASPTGSW ELHKKYHVVL DATA SEQUENCE TMADRQGSVY VDGQPLAGSG NTVVRGATLP DISHFYIGGP XXXGAPTDSR DATA SEQUENCE VTVTNIVLYN RRLNSSEIRT LFLSQDMIGT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.880 176.870 0.016 0.000 1.165 1 L CA 0.000 54.858 54.840 0.030 0.000 0.813 1 L CB 0.000 42.114 42.059 0.091 0.000 0.961 2 A N 2.459 125.294 122.820 0.024 0.000 2.531 2 A HA 0.558 4.912 4.320 0.056 0.000 0.236 2 A C -2.335 175.261 177.584 0.019 0.000 1.062 2 A CA -0.554 51.489 52.037 0.009 0.000 0.760 2 A CB -0.958 18.047 19.000 0.008 0.000 0.995 2 A HN 0.567 nan 8.150 nan 0.000 0.501 3 P HA 0.276 nan 4.420 nan 0.000 0.261 3 P C 1.010 178.317 177.300 0.011 0.000 1.203 3 P CA 1.607 64.713 63.100 0.009 0.000 0.767 3 P CB 0.569 32.272 31.700 0.005 0.000 0.785 4 G N 2.032 110.839 108.800 0.011 0.000 2.541 4 G HA2 -0.183 3.811 3.960 0.056 0.000 0.201 4 G HA3 -0.183 3.811 3.960 0.056 0.000 0.201 4 G C 0.503 175.407 174.900 0.006 0.000 1.026 4 G CA -0.263 44.842 45.100 0.007 0.000 0.687 4 G HN 0.533 nan 8.290 nan 0.000 0.492 5 S N 0.483 116.195 115.700 0.021 0.000 2.600 5 S HA 0.702 5.206 4.470 0.056 0.000 0.265 5 S C 0.427 175.025 174.600 -0.003 0.000 1.325 5 S CA 0.766 58.980 58.200 0.023 0.000 1.002 5 S CB 1.371 64.633 63.200 0.102 0.000 0.921 5 S HN 1.877 nan 8.310 nan 0.000 0.554 6 S N 0.701 116.375 115.700 -0.045 0.000 2.611 6 S HA 0.771 5.275 4.470 0.056 0.000 0.268 6 S C -1.254 173.289 174.600 -0.095 0.000 1.156 6 S CA -1.166 57.004 58.200 -0.049 0.000 0.817 6 S CB 1.676 64.853 63.200 -0.038 0.000 1.122 6 S HN 0.986 nan 8.310 nan 0.000 0.466 7 R N -0.020 120.446 120.500 -0.057 0.000 2.733 7 R HA 0.868 5.242 4.340 0.056 0.000 0.272 7 R C -2.300 173.995 176.300 -0.009 0.000 1.029 7 R CA -0.905 55.157 56.100 -0.063 0.000 0.888 7 R CB 1.221 31.491 30.300 -0.050 0.000 1.251 7 R HN 0.660 nan 8.270 nan 0.000 0.464 8 V N 0.708 120.637 119.914 0.024 0.000 2.888 8 V HA 0.222 4.375 4.120 0.056 0.000 0.309 8 V C -0.595 175.517 176.094 0.030 0.000 1.114 8 V CA -0.725 61.604 62.300 0.048 0.000 0.940 8 V CB 2.042 33.934 31.823 0.116 0.000 1.021 8 V HN 0.919 nan 8.190 nan 0.000 0.426 9 E N 3.297 123.495 120.200 -0.003 0.000 2.053 9 E HA 0.024 4.408 4.350 0.056 0.000 0.297 9 E C 1.023 177.574 176.600 -0.081 0.000 1.173 9 E CA -0.139 56.245 56.400 -0.027 0.000 1.219 9 E CB 0.255 29.942 29.700 -0.021 0.000 1.103 9 E HN 0.589 nan 8.360 nan 0.000 0.476 10 L N 3.259 124.421 121.223 -0.101 0.000 1.956 10 L HA -0.156 4.218 4.340 0.056 0.000 0.216 10 L C 0.298 176.874 176.870 -0.491 0.000 1.073 10 L CA 1.932 56.563 54.840 -0.348 0.000 0.762 10 L CB -0.124 41.647 42.059 -0.480 0.000 0.889 10 L HN 0.392 nan 8.230 nan 0.000 0.433 11 F N 0.789 120.462 119.950 -0.463 0.000 2.359 11 F HA 0.296 4.857 4.527 0.057 0.000 0.355 11 F C 0.526 176.110 175.800 -0.359 0.000 1.132 11 F CA -0.693 56.885 58.000 -0.704 0.000 1.246 11 F CB -0.014 38.324 39.000 -1.102 0.000 1.569 11 F HN -0.071 nan 8.300 nan 0.000 0.561 12 K N 4.439 124.805 120.400 -0.057 0.000 2.378 12 K HA 0.175 4.528 4.320 0.056 0.000 0.288 12 K C 0.407 177.147 176.600 0.235 0.000 1.057 12 K CA -0.572 55.766 56.287 0.085 0.000 0.971 12 K CB 0.524 33.032 32.500 0.013 0.000 0.975 12 K HN 0.571 nan 8.250 nan 0.000 0.475 13 R N 4.038 124.667 120.500 0.215 0.000 2.619 13 R HA -0.082 4.291 4.340 0.056 0.000 0.268 13 R C -0.311 176.012 176.300 0.038 0.000 0.990 13 R CA 0.130 56.301 56.100 0.118 0.000 1.092 13 R CB 0.003 30.300 30.300 -0.005 0.000 0.935 13 R HN 0.641 nan 8.270 nan 0.000 0.415 14 K N -0.054 120.333 120.400 -0.022 0.000 2.960 14 K HA -0.324 4.030 4.320 0.056 0.000 0.259 14 K C 0.191 176.804 176.600 0.021 0.000 1.025 14 K CA 1.340 57.609 56.287 -0.030 0.000 0.756 14 K CB -0.802 31.644 32.500 -0.090 0.000 1.221 14 K HN 0.848 nan 8.250 nan 0.000 0.483 15 N N -0.564 118.181 118.700 0.074 0.000 2.357 15 N HA 0.008 4.781 4.740 0.056 0.000 0.260 15 N C -0.506 175.055 175.510 0.084 0.000 1.035 15 N CA 0.203 53.289 53.050 0.060 0.000 0.839 15 N CB 0.665 39.174 38.487 0.035 0.000 1.723 15 N HN 0.052 nan 8.380 nan 0.000 0.617 16 S N 0.472 116.257 115.700 0.142 0.000 2.564 16 S HA 0.285 4.789 4.470 0.056 0.000 0.278 16 S C 0.015 174.742 174.600 0.212 0.000 1.333 16 S CA 0.141 58.416 58.200 0.125 0.000 1.048 16 S CB 1.491 64.698 63.200 0.011 0.000 0.900 16 S HN 0.184 nan 8.310 nan 0.000 0.505 17 T N 2.077 116.708 114.554 0.129 0.000 2.895 17 T HA 0.623 5.006 4.350 0.056 0.000 0.283 17 T C -0.437 174.364 174.700 0.169 0.000 1.014 17 T CA -0.573 61.616 62.100 0.149 0.000 1.037 17 T CB 0.982 69.905 68.868 0.091 0.000 1.006 17 T HN 0.569 nan 8.240 nan 0.000 0.468 18 V N 1.921 121.970 119.914 0.225 0.000 2.789 18 V HA 0.787 4.941 4.120 0.056 0.000 0.311 18 V C -2.860 173.390 176.094 0.260 0.000 1.073 18 V CA -2.970 59.470 62.300 0.233 0.000 0.921 18 V CB 2.001 33.984 31.823 0.268 0.000 1.009 18 V HN 0.633 nan 8.190 nan 0.000 0.426 19 P HA 0.237 nan 4.420 nan 0.000 0.273 19 P C -0.882 176.570 177.300 0.253 0.000 1.428 19 P CA 0.173 63.390 63.100 0.194 0.000 0.995 19 P CB 0.017 31.795 31.700 0.131 0.000 1.286 20 F N 3.726 123.761 119.950 0.142 0.000 2.410 20 F HA 0.265 4.826 4.527 0.055 0.000 0.348 20 F C 0.548 176.388 175.800 0.066 0.000 1.106 20 F CA -0.761 57.314 58.000 0.125 0.000 1.163 20 F CB 1.112 40.157 39.000 0.074 0.000 1.129 20 F HN 0.247 nan 8.300 nan 0.000 0.516 21 E N 4.683 124.568 120.200 -0.525 0.000 2.156 21 E HA 0.262 4.646 4.350 0.056 0.000 0.279 21 E C -0.896 175.296 176.600 -0.680 0.000 0.965 21 E CA -0.746 55.411 56.400 -0.405 0.000 0.789 21 E CB 1.240 30.801 29.700 -0.232 0.000 1.098 21 E HN 0.715 nan 8.360 nan 0.000 0.397 22 E N 2.669 122.695 120.200 -0.290 0.000 2.397 22 E HA 0.226 4.610 4.350 0.056 0.000 0.254 22 E C 1.427 177.948 176.600 -0.132 0.000 1.231 22 E CA 1.005 57.313 56.400 -0.152 0.000 0.954 22 E CB 0.812 30.533 29.700 0.036 0.000 1.024 22 E HN 0.784 nan 8.360 nan 0.000 0.481 23 S N 1.819 117.489 115.700 -0.050 0.000 2.380 23 S HA -0.273 4.231 4.470 0.056 0.000 0.229 23 S C 1.226 175.803 174.600 -0.039 0.000 1.050 23 S CA 2.297 60.476 58.200 -0.035 0.000 1.100 23 S CB -0.842 62.358 63.200 -0.000 0.000 0.984 23 S HN 0.625 nan 8.310 nan 0.000 0.434 24 N N 0.593 119.278 118.700 -0.024 0.000 2.466 24 N HA 0.372 5.146 4.740 0.056 0.000 0.251 24 N C 0.979 176.476 175.510 -0.021 0.000 1.164 24 N CA 0.780 53.819 53.050 -0.018 0.000 0.888 24 N CB -0.212 38.271 38.487 -0.007 0.000 1.177 24 N HN 0.844 nan 8.380 nan 0.000 0.498 25 G N -0.518 108.260 108.800 -0.037 0.000 2.498 25 G HA2 -0.348 3.645 3.960 0.056 0.000 0.229 25 G HA3 -0.348 3.645 3.960 0.056 0.000 0.229 25 G C 0.332 175.217 174.900 -0.024 0.000 1.156 25 G CA 0.414 45.495 45.100 -0.031 0.000 0.680 25 G HN 0.848 nan 8.290 nan 0.000 0.512 26 T N 1.359 115.907 114.554 -0.010 0.000 2.939 26 T HA 0.379 4.763 4.350 0.056 0.000 0.319 26 T C 0.528 175.232 174.700 0.006 0.000 1.082 26 T CA 0.692 62.795 62.100 0.006 0.000 1.133 26 T CB 0.357 69.239 68.868 0.022 0.000 1.019 26 T HN 1.557 nan 8.240 nan 0.000 0.548 27 I N 1.025 121.610 120.570 0.025 0.000 2.433 27 I HA 0.859 5.062 4.170 0.056 0.000 0.292 27 I C -0.288 175.879 176.117 0.082 0.000 1.001 27 I CA -1.103 60.223 61.300 0.042 0.000 1.119 27 I CB 1.577 39.596 38.000 0.032 0.000 1.289 27 I HN 0.900 nan 8.210 nan 0.000 0.438 28 R N 4.507 125.091 120.500 0.140 0.000 2.670 28 R HA 0.558 4.932 4.340 0.056 0.000 0.289 28 R C -0.696 175.706 176.300 0.170 0.000 0.965 28 R CA -0.765 55.420 56.100 0.142 0.000 0.899 28 R CB 0.978 31.367 30.300 0.149 0.000 1.173 28 R HN 0.762 nan 8.270 nan 0.000 0.456 29 E N 1.801 122.077 120.200 0.125 0.000 2.344 29 E HA 0.166 4.550 4.350 0.056 0.000 0.270 29 E C -0.484 176.196 176.600 0.132 0.000 1.021 29 E CA -0.015 56.463 56.400 0.130 0.000 0.887 29 E CB 1.164 30.918 29.700 0.090 0.000 0.997 29 E HN 0.518 nan 8.360 nan 0.000 0.429 30 R N 1.342 121.945 120.500 0.171 0.000 2.621 30 R HA 0.504 4.878 4.340 0.056 0.000 0.284 30 R C -0.531 175.867 176.300 0.163 0.000 0.998 30 R CA -0.550 55.635 56.100 0.141 0.000 0.895 30 R CB 1.218 31.589 30.300 0.118 0.000 1.195 30 R HN 0.375 nan 8.270 nan 0.000 0.450 31 V N 3.051 123.030 119.914 0.107 0.000 2.963 31 V HA 0.402 4.556 4.120 0.056 0.000 0.306 31 V C -0.289 175.864 176.094 0.098 0.000 1.077 31 V CA 0.108 62.467 62.300 0.099 0.000 1.124 31 V CB 1.335 33.193 31.823 0.058 0.000 0.987 31 V HN 0.501 nan 8.190 nan 0.000 0.487 32 V N 4.134 124.061 119.914 0.022 0.000 2.525 32 V HA 0.307 4.461 4.120 0.056 0.000 0.299 32 V C 0.936 176.911 176.094 -0.198 0.000 1.034 32 V CA -0.323 61.873 62.300 -0.173 0.000 0.863 32 V CB 1.004 32.462 31.823 -0.609 0.000 0.999 32 V HN 1.119 nan 8.190 nan 0.000 0.423 33 H N 3.040 121.989 119.070 -0.200 0.000 2.254 33 H HA -0.037 4.553 4.556 0.057 0.000 0.294 33 H C 0.448 175.672 175.328 -0.173 0.000 1.071 33 H CA 2.020 57.983 56.048 -0.142 0.000 1.228 33 H CB 0.519 30.220 29.762 -0.103 0.000 1.358 33 H HN 0.578 nan 8.280 nan 0.000 0.495 34 S N -0.692 114.997 115.700 -0.019 0.000 2.538 34 S HA 0.401 4.905 4.470 0.056 0.000 0.288 34 S C -1.278 173.141 174.600 -0.302 0.000 1.108 34 S CA -0.629 57.561 58.200 -0.017 0.000 0.971 34 S CB 1.751 65.118 63.200 0.277 0.000 1.041 34 S HN 0.220 nan 8.310 nan 0.000 0.483 35 F N 2.408 122.357 119.950 -0.001 0.000 2.411 35 F HA 0.569 5.129 4.527 0.056 0.000 0.352 35 F C 0.930 176.642 175.800 -0.147 0.000 1.123 35 F CA -0.522 57.411 58.000 -0.112 0.000 1.044 35 F CB 1.098 40.037 39.000 -0.102 0.000 1.135 35 F HN 0.226 nan 8.300 nan 0.000 0.461 36 R N 2.638 123.083 120.500 -0.092 0.000 2.905 36 R HA 0.561 4.935 4.340 0.056 0.000 0.260 36 R C -0.740 175.448 176.300 -0.185 0.000 1.086 36 R CA -1.056 54.923 56.100 -0.201 0.000 0.978 36 R CB 1.964 32.020 30.300 -0.406 0.000 1.215 36 R HN 0.533 nan 8.270 nan 0.000 0.480 37 I N -0.320 120.145 120.570 -0.175 0.000 6.673 37 I HA -0.155 4.049 4.170 0.056 0.000 0.126 37 I C -2.232 173.871 176.117 -0.023 0.000 1.823 37 I CA -0.100 61.175 61.300 -0.040 0.000 2.064 37 I CB -2.596 35.371 38.000 -0.055 0.000 3.515 37 I HN 0.495 nan 8.210 nan 0.000 0.178 38 P HA 0.400 nan 4.420 nan 0.000 0.274 38 P C -0.093 177.219 177.300 0.019 0.000 1.231 38 P CA 0.319 63.375 63.100 -0.074 0.000 0.790 38 P CB 1.603 33.269 31.700 -0.057 0.000 0.951 39 T N 2.602 117.160 114.554 0.006 0.000 3.193 39 T HA 0.440 4.823 4.350 0.056 0.000 0.332 39 T C -0.738 174.010 174.700 0.081 0.000 1.208 39 T CA -0.369 61.774 62.100 0.073 0.000 1.080 39 T CB 0.910 69.831 68.868 0.089 0.000 1.180 39 T HN 0.404 nan 8.240 nan 0.000 0.469 40 I N 4.515 125.160 120.570 0.126 0.000 2.447 40 I HA 0.754 4.958 4.170 0.056 0.000 0.287 40 I C -0.549 175.668 176.117 0.166 0.000 1.023 40 I CA -0.810 60.576 61.300 0.144 0.000 1.083 40 I CB 0.841 38.933 38.000 0.154 0.000 1.245 40 I HN 0.573 nan 8.210 nan 0.000 0.434 41 V N 4.001 124.011 119.914 0.160 0.000 3.145 41 V HA 0.697 4.851 4.120 0.056 0.000 0.311 41 V C -1.118 175.051 176.094 0.126 0.000 1.238 41 V CA -0.696 61.694 62.300 0.151 0.000 1.066 41 V CB 1.970 33.884 31.823 0.151 0.000 1.144 41 V HN 0.843 nan 8.190 nan 0.000 0.465 42 N N 0.398 119.161 118.700 0.105 0.000 2.716 42 N HA 0.358 5.132 4.740 0.056 0.000 0.253 42 N C -1.371 174.172 175.510 0.054 0.000 1.170 42 N CA -0.313 52.779 53.050 0.070 0.000 0.807 42 N CB 1.140 39.672 38.487 0.075 0.000 1.183 42 N HN 0.647 nan 8.380 nan 0.000 0.524 43 V N 3.132 123.070 119.914 0.041 0.000 2.372 43 V HA 0.194 4.348 4.120 0.056 0.000 0.261 43 V C 0.471 176.559 176.094 -0.010 0.000 1.055 43 V CA -0.332 61.977 62.300 0.014 0.000 0.930 43 V CB 0.374 32.186 31.823 -0.018 0.000 1.031 43 V HN 0.772 nan 8.190 nan 0.000 0.479 44 D N 4.844 125.241 120.400 -0.005 0.000 2.803 44 D HA -0.216 4.458 4.640 0.056 0.000 0.233 44 D C 1.268 177.554 176.300 -0.024 0.000 1.182 44 D CA 1.368 55.358 54.000 -0.017 0.000 0.726 44 D CB -0.806 39.974 40.800 -0.035 0.000 0.987 44 D HN 1.209 nan 8.370 nan 0.000 0.412 45 G N -0.805 107.985 108.800 -0.016 0.000 2.347 45 G HA2 -0.352 3.642 3.960 0.056 0.000 0.247 45 G HA3 -0.352 3.642 3.960 0.056 0.000 0.247 45 G C 0.463 175.341 174.900 -0.037 0.000 1.037 45 G CA 0.391 45.475 45.100 -0.025 0.000 0.622 45 G HN 0.771 nan 8.290 nan 0.000 0.521 46 V N 2.418 122.312 119.914 -0.033 0.000 2.364 46 V HA 0.542 4.696 4.120 0.056 0.000 0.272 46 V C 0.857 176.953 176.094 0.004 0.000 1.036 46 V CA -0.223 62.060 62.300 -0.029 0.000 0.880 46 V CB 1.495 33.296 31.823 -0.037 0.000 0.991 46 V HN 0.449 nan 8.190 nan 0.000 0.460 47 M N 6.083 125.663 119.600 -0.033 0.000 2.307 47 M HA 0.202 4.716 4.480 0.056 0.000 0.346 47 M C -0.806 175.602 176.300 0.180 0.000 1.552 47 M CA 0.339 55.643 55.300 0.007 0.000 1.116 47 M CB 0.367 32.864 32.600 -0.171 0.000 1.889 47 M HN 0.462 nan 8.290 nan 0.000 0.460 48 V N 5.083 125.121 119.914 0.207 0.000 2.384 48 V HA 0.658 4.811 4.120 0.056 0.000 0.287 48 V C -0.075 176.170 176.094 0.252 0.000 1.020 48 V CA -0.909 61.567 62.300 0.294 0.000 0.850 48 V CB 1.231 33.222 31.823 0.280 0.000 0.987 48 V HN 0.872 nan 8.190 nan 0.000 0.436 49 A N 3.641 126.617 122.820 0.260 0.000 2.273 49 A HA 0.770 5.124 4.320 0.056 0.000 0.315 49 A C 0.154 177.834 177.584 0.161 0.000 1.256 49 A CA -0.371 51.763 52.037 0.162 0.000 0.851 49 A CB 0.629 19.689 19.000 0.099 0.000 1.172 49 A HN 0.727 nan 8.150 nan 0.000 0.508 50 T N 1.447 116.035 114.554 0.056 0.000 2.895 50 T HA 0.817 5.201 4.350 0.056 0.000 0.283 50 T C 0.047 174.654 174.700 -0.156 0.000 1.014 50 T CA 0.249 62.343 62.100 -0.010 0.000 1.037 50 T CB 1.666 70.549 68.868 0.024 0.000 1.006 50 T HN 1.528 nan 8.240 nan 0.000 0.468 51 A N 1.573 124.283 122.820 -0.184 0.000 2.586 51 A HA 0.615 4.969 4.320 0.056 0.000 0.290 51 A C -1.808 175.692 177.584 -0.141 0.000 1.086 51 A CA -0.924 50.976 52.037 -0.229 0.000 0.665 51 A CB 0.904 19.614 19.000 -0.483 0.000 1.279 51 A HN 0.635 nan 8.150 nan 0.000 0.423 52 D N 1.389 121.707 120.400 -0.137 0.000 2.343 52 D HA 0.501 5.175 4.640 0.056 0.000 0.255 52 D C 0.191 176.404 176.300 -0.146 0.000 1.187 52 D CA 0.926 54.840 54.000 -0.144 0.000 0.875 52 D CB 1.347 42.045 40.800 -0.170 0.000 1.136 52 D HN 0.794 nan 8.370 nan 0.000 0.469 53 A N 4.567 127.262 122.820 -0.208 0.000 2.444 53 A HA 0.298 4.652 4.320 0.056 0.000 0.332 53 A C 0.083 177.327 177.584 -0.566 0.000 1.430 53 A CA -0.742 51.063 52.037 -0.387 0.000 0.975 53 A CB 0.108 18.899 19.000 -0.349 0.000 1.147 53 A HN 0.416 nan 8.150 nan 0.000 0.524 54 R N 3.106 123.326 120.500 -0.467 0.000 2.235 54 R HA 0.271 4.645 4.340 0.056 0.000 0.338 54 R C -0.379 175.796 176.300 -0.209 0.000 1.087 54 R CA -0.246 55.690 56.100 -0.272 0.000 0.948 54 R CB 0.242 30.428 30.300 -0.190 0.000 1.099 54 R HN 0.786 nan 8.270 nan 0.000 0.483 55 Y N 1.693 121.968 120.300 -0.041 0.000 2.036 55 Y HA -0.278 4.306 4.550 0.055 0.000 0.273 55 Y C 2.151 178.038 175.900 -0.022 0.000 1.135 55 Y CA 1.485 59.575 58.100 -0.017 0.000 1.106 55 Y CB 0.134 38.648 38.460 0.089 0.000 0.976 55 Y HN 0.446 nan 8.280 nan 0.000 0.483 56 E N -0.810 119.476 120.200 0.143 0.000 2.122 56 E HA 0.015 4.399 4.350 0.056 0.000 0.190 56 E C 0.814 177.280 176.600 -0.223 0.000 0.977 56 E CA 1.096 57.499 56.400 0.005 0.000 0.820 56 E CB -0.153 29.538 29.700 -0.015 0.000 0.770 56 E HN 0.296 nan 8.360 nan 0.000 0.462 57 T N -1.149 113.192 114.554 -0.355 0.000 2.821 57 T HA 0.195 4.579 4.350 0.056 0.000 0.306 57 T C 0.483 174.871 174.700 -0.521 0.000 1.313 57 T CA 0.019 61.658 62.100 -0.768 0.000 1.012 57 T CB 1.394 70.035 68.868 -0.379 0.000 1.298 57 T HN -0.035 nan 8.240 nan 0.000 0.502 58 S N 1.216 116.605 115.700 -0.519 0.000 2.522 58 S HA 0.200 4.704 4.470 0.056 0.000 0.227 58 S C 0.543 174.995 174.600 -0.247 0.000 0.986 58 S CA -0.105 57.953 58.200 -0.237 0.000 0.929 58 S CB -0.678 62.558 63.200 0.060 0.000 0.769 58 S HN 0.513 nan 8.310 nan 0.000 0.529 59 F N 3.778 123.637 119.950 -0.152 0.000 2.608 59 F HA 0.151 4.712 4.527 0.057 0.000 0.380 59 F C 1.384 177.092 175.800 -0.152 0.000 1.083 59 F CA -0.925 56.984 58.000 -0.151 0.000 1.266 59 F CB -0.194 38.731 39.000 -0.125 0.000 1.076 59 F HN 0.010 nan 8.300 nan 0.000 0.574 60 D N 1.424 121.857 120.400 0.055 0.000 2.157 60 D HA -0.263 4.411 4.640 0.056 0.000 0.191 60 D C 0.925 177.201 176.300 -0.040 0.000 1.004 60 D CA 1.735 55.711 54.000 -0.040 0.000 0.854 60 D CB -0.185 40.579 40.800 -0.060 0.000 0.936 60 D HN 0.497 nan 8.370 nan 0.000 0.446 61 N N 0.725 119.406 118.700 -0.032 0.000 2.597 61 N HA 0.059 4.832 4.740 0.056 0.000 0.269 61 N C -0.078 175.439 175.510 0.012 0.000 1.204 61 N CA -0.027 52.995 53.050 -0.046 0.000 0.947 61 N CB 0.488 38.925 38.487 -0.083 0.000 1.258 61 N HN 0.162 nan 8.380 nan 0.000 0.508 62 S N -0.431 115.301 115.700 0.052 0.000 2.795 62 S HA 0.445 4.949 4.470 0.056 0.000 0.308 62 S C -0.273 174.416 174.600 0.148 0.000 1.098 62 S CA -0.829 57.434 58.200 0.104 0.000 0.934 62 S CB 0.747 64.012 63.200 0.108 0.000 1.300 62 S HN 0.120 nan 8.310 nan 0.000 0.566 63 F N 1.587 121.559 119.950 0.036 0.000 2.487 63 F HA 0.521 5.082 4.527 0.056 0.000 0.364 63 F C -0.617 175.267 175.800 0.139 0.000 1.126 63 F CA -0.608 57.441 58.000 0.081 0.000 1.135 63 F CB -0.595 38.441 39.000 0.059 0.000 1.127 63 F HN 0.301 nan 8.300 nan 0.000 0.559 64 I N 5.412 125.866 120.570 -0.194 0.000 2.647 64 I HA 0.418 4.622 4.170 0.056 0.000 0.295 64 I C -0.937 175.061 176.117 -0.197 0.000 1.078 64 I CA -0.802 60.399 61.300 -0.165 0.000 1.048 64 I CB 2.280 40.208 38.000 -0.121 0.000 1.239 64 I HN 0.421 nan 8.210 nan 0.000 0.421 65 E N 2.746 122.858 120.200 -0.146 0.000 2.343 65 E HA 0.403 4.786 4.350 0.056 0.000 0.270 65 E C -1.225 175.301 176.600 -0.123 0.000 0.895 65 E CA -0.940 55.407 56.400 -0.088 0.000 0.767 65 E CB 2.479 32.232 29.700 0.089 0.000 1.248 65 E HN 0.440 nan 8.360 nan 0.000 0.440 66 T N 1.609 116.087 114.554 -0.127 0.000 2.727 66 T HA 0.369 4.753 4.350 0.056 0.000 0.295 66 T C -0.160 174.457 174.700 -0.137 0.000 0.915 66 T CA -0.363 61.648 62.100 -0.149 0.000 1.066 66 T CB 0.383 69.132 68.868 -0.199 0.000 0.891 66 T HN 0.465 nan 8.240 nan 0.000 0.516 67 A N 3.403 126.184 122.820 -0.066 0.000 2.303 67 A HA 0.821 5.175 4.320 0.056 0.000 0.317 67 A C 0.230 177.836 177.584 0.037 0.000 1.149 67 A CA -0.739 51.310 52.037 0.019 0.000 0.822 67 A CB 0.773 19.875 19.000 0.169 0.000 1.131 67 A HN 0.890 nan 8.150 nan 0.000 0.493 68 V N -0.750 119.215 119.914 0.085 0.000 3.001 68 V HA 0.848 5.002 4.120 0.056 0.000 0.314 68 V C -0.848 175.359 176.094 0.189 0.000 1.099 68 V CA -0.913 61.500 62.300 0.189 0.000 0.989 68 V CB 1.989 33.990 31.823 0.296 0.000 1.040 68 V HN 0.793 nan 8.190 nan 0.000 0.434 69 K N 3.565 124.074 120.400 0.181 0.000 2.716 69 K HA 0.435 4.789 4.320 0.056 0.000 0.249 69 K C -1.680 175.057 176.600 0.228 0.000 1.004 69 K CA -0.408 55.867 56.287 -0.021 0.000 0.968 69 K CB 1.717 33.942 32.500 -0.459 0.000 1.214 69 K HN 0.887 nan 8.250 nan 0.000 0.476 70 Y N -0.765 119.721 120.300 0.310 0.000 2.545 70 Y HA 0.793 5.377 4.550 0.056 0.000 0.324 70 Y C 0.081 176.049 175.900 0.114 0.000 1.220 70 Y CA -1.206 57.055 58.100 0.268 0.000 1.290 70 Y CB 1.611 40.158 38.460 0.145 0.000 1.355 70 Y HN 0.297 nan 8.280 nan 0.000 0.516 71 S N -0.437 115.306 115.700 0.072 0.000 2.543 71 S HA 0.397 4.901 4.470 0.056 0.000 0.274 71 S C -0.524 173.962 174.600 -0.191 0.000 1.149 71 S CA -0.275 57.759 58.200 -0.278 0.000 0.866 71 S CB 1.234 63.796 63.200 -1.063 0.000 1.111 71 S HN 1.342 nan 8.310 nan 0.000 0.457 72 V N 0.329 120.150 119.914 -0.154 0.000 3.542 72 V HA 0.458 4.612 4.120 0.056 0.000 0.296 72 V C -0.013 175.993 176.094 -0.146 0.000 1.364 72 V CA 0.660 62.893 62.300 -0.111 0.000 1.118 72 V CB -0.389 31.403 31.823 -0.052 0.000 0.972 72 V HN 0.784 nan 8.190 nan 0.000 0.430 73 D N -1.457 118.802 120.400 -0.235 0.000 2.945 73 D HA 0.202 4.875 4.640 0.056 0.000 0.366 73 D C -0.061 176.119 176.300 -0.201 0.000 1.352 73 D CA -0.462 53.427 54.000 -0.186 0.000 0.810 73 D CB -0.382 40.321 40.800 -0.161 0.000 1.170 73 D HN 0.119 nan 8.370 nan 0.000 0.461 74 D N 0.534 120.812 120.400 -0.203 0.000 2.792 74 D HA -0.153 4.521 4.640 0.056 0.000 0.231 74 D C 1.455 177.713 176.300 -0.068 0.000 1.160 74 D CA 1.874 55.809 54.000 -0.109 0.000 0.697 74 D CB -1.302 39.530 40.800 0.052 0.000 1.070 74 D HN 0.805 nan 8.370 nan 0.000 0.426 75 G N -1.732 106.821 108.800 -0.411 0.000 2.175 75 G HA2 -0.252 3.742 3.960 0.056 0.000 0.244 75 G HA3 -0.252 3.742 3.960 0.056 0.000 0.244 75 G C 1.263 176.067 174.900 -0.160 0.000 0.982 75 G CA 0.933 45.827 45.100 -0.344 0.000 0.641 75 G HN 0.968 nan 8.290 nan 0.000 0.527 76 A N -0.836 121.875 122.820 -0.182 0.000 1.851 76 A HA 0.355 4.709 4.320 0.056 0.000 0.216 76 A C 1.535 179.033 177.584 -0.143 0.000 1.195 76 A CA 2.695 54.678 52.037 -0.090 0.000 0.622 76 A CB -0.323 18.625 19.000 -0.087 0.000 0.831 76 A HN 1.081 nan 8.150 nan 0.000 0.444 77 T N -2.829 111.530 114.554 -0.325 0.000 2.930 77 T HA 0.550 4.934 4.350 0.056 0.000 0.290 77 T C -1.932 172.445 174.700 -0.538 0.000 1.052 77 T CA -0.325 61.613 62.100 -0.270 0.000 1.017 77 T CB 0.764 69.526 68.868 -0.177 0.000 1.137 77 T HN 0.395 nan 8.240 nan 0.000 0.511 78 W N 1.317 122.500 121.300 -0.195 0.000 3.372 78 W HA 0.510 5.204 4.660 0.056 0.000 0.315 78 W C -0.553 175.761 176.519 -0.341 0.000 1.223 78 W CA -0.735 56.427 57.345 -0.304 0.000 1.202 78 W CB 1.390 30.641 29.460 -0.349 0.000 1.367 78 W HN 0.439 nan 8.180 nan 0.000 0.531 79 N N 0.559 119.092 118.700 -0.278 0.000 2.404 79 N HA 0.766 5.539 4.740 0.056 0.000 0.297 79 N C -1.058 174.252 175.510 -0.333 0.000 1.163 79 N CA -0.361 52.474 53.050 -0.359 0.000 0.864 79 N CB 1.907 40.018 38.487 -0.628 0.000 1.247 79 N HN 0.200 nan 8.380 nan 0.000 0.510 80 T N 0.624 115.084 114.554 -0.156 0.000 2.893 80 T HA 0.591 4.975 4.350 0.056 0.000 0.293 80 T C -0.823 173.911 174.700 0.056 0.000 1.027 80 T CA -0.741 61.314 62.100 -0.075 0.000 0.988 80 T CB 1.678 70.492 68.868 -0.091 0.000 1.043 80 T HN 0.496 nan 8.240 nan 0.000 0.461 81 Q N 1.259 121.132 119.800 0.123 0.000 2.857 81 Q HA 0.681 5.054 4.340 0.056 0.000 0.319 81 Q C -1.493 174.568 176.000 0.101 0.000 0.963 81 Q CA -1.190 54.708 55.803 0.158 0.000 0.770 81 Q CB 1.505 30.409 28.738 0.277 0.000 1.492 81 Q HN 0.318 nan 8.270 nan 0.000 0.493 82 I N 1.562 122.168 120.570 0.061 0.000 2.555 82 I HA 0.271 4.474 4.170 0.056 0.000 0.275 82 I C 0.661 176.680 176.117 -0.163 0.000 1.082 82 I CA -0.366 60.932 61.300 -0.003 0.000 1.167 82 I CB 0.155 38.204 38.000 0.082 0.000 1.312 82 I HN 0.954 nan 8.210 nan 0.000 0.493 83 A N 6.358 128.930 122.820 -0.414 0.000 1.917 83 A HA -0.056 4.298 4.320 0.056 0.000 0.219 83 A C 1.013 178.287 177.584 -0.517 0.000 1.182 83 A CA 1.554 53.031 52.037 -0.933 0.000 0.633 83 A CB -0.087 17.922 19.000 -1.652 0.000 0.819 83 A HN 0.553 nan 8.150 nan 0.000 0.448 84 I N -2.066 118.315 120.570 -0.315 0.000 2.730 84 I HA 0.401 4.604 4.170 0.056 0.000 0.298 84 I C -0.502 175.541 176.117 -0.123 0.000 1.089 84 I CA -0.684 60.502 61.300 -0.189 0.000 1.041 84 I CB 2.430 40.319 38.000 -0.186 0.000 1.235 84 I HN -0.074 nan 8.210 nan 0.000 0.423 85 K N 3.681 124.025 120.400 -0.094 0.000 2.203 85 K HA 0.416 4.770 4.320 0.056 0.000 0.251 85 K C -0.553 175.996 176.600 -0.085 0.000 0.944 85 K CA -0.743 55.500 56.287 -0.073 0.000 0.829 85 K CB 1.311 33.766 32.500 -0.075 0.000 1.125 85 K HN 0.694 nan 8.250 nan 0.000 0.430 86 N N -0.122 118.524 118.700 -0.090 0.000 2.445 86 N HA -0.030 4.744 4.740 0.056 0.000 0.264 86 N C 0.762 176.242 175.510 -0.049 0.000 1.227 86 N CA -0.163 52.828 53.050 -0.098 0.000 0.963 86 N CB 1.340 39.731 38.487 -0.160 0.000 1.188 86 N HN 0.572 nan 8.380 nan 0.000 0.491 87 S N 0.831 116.507 115.700 -0.041 0.000 2.420 87 S HA -0.227 4.277 4.470 0.056 0.000 0.237 87 S C 0.668 175.288 174.600 0.034 0.000 1.023 87 S CA 0.629 58.820 58.200 -0.015 0.000 0.991 87 S CB -0.492 62.699 63.200 -0.016 0.000 0.792 87 S HN 0.754 nan 8.310 nan 0.000 0.488 88 R N -0.587 119.966 120.500 0.088 0.000 3.770 88 R HA -0.170 4.204 4.340 0.056 0.000 0.305 88 R C 0.938 177.316 176.300 0.130 0.000 1.184 88 R CA 0.873 57.083 56.100 0.184 0.000 0.823 88 R CB -2.831 27.565 30.300 0.159 0.000 1.285 88 R HN 0.716 nan 8.270 nan 0.000 0.499 89 A N 0.094 122.972 122.820 0.097 0.000 2.206 89 A HA 0.167 4.521 4.320 0.056 0.000 0.211 89 A C 1.023 178.650 177.584 0.071 0.000 1.158 89 A CA 1.302 53.379 52.037 0.066 0.000 0.761 89 A CB 0.172 19.199 19.000 0.045 0.000 0.801 89 A HN 0.765 nan 8.150 nan 0.000 0.473 90 S N -2.578 113.184 115.700 0.104 0.000 2.671 90 S HA 0.246 4.749 4.470 0.056 0.000 0.270 90 S C 0.486 175.155 174.600 0.116 0.000 1.166 90 S CA 0.455 58.703 58.200 0.081 0.000 0.868 90 S CB 0.058 63.298 63.200 0.066 0.000 1.190 90 S HN 0.922 nan 8.310 nan 0.000 0.494 91 S N -0.087 115.652 115.700 0.065 0.000 2.701 91 S HA 0.165 4.669 4.470 0.056 0.000 0.220 91 S C 1.183 175.879 174.600 0.161 0.000 0.954 91 S CA 0.639 58.867 58.200 0.046 0.000 0.936 91 S CB -0.946 62.235 63.200 -0.031 0.000 0.777 91 S HN 1.775 nan 8.310 nan 0.000 0.518 92 V N -3.410 116.620 119.914 0.193 0.000 3.382 92 V HA 0.409 4.563 4.120 0.056 0.000 0.296 92 V C 0.357 176.561 176.094 0.183 0.000 1.529 92 V CA -0.478 61.935 62.300 0.188 0.000 1.048 92 V CB -0.562 31.317 31.823 0.094 0.000 0.878 92 V HN 0.287 nan 8.190 nan 0.000 0.442 93 S N 3.509 119.333 115.700 0.206 0.000 2.561 93 S HA 0.388 4.892 4.470 0.056 0.000 0.294 93 S C 0.254 174.863 174.600 0.014 0.000 1.294 93 S CA 0.366 58.640 58.200 0.123 0.000 1.055 93 S CB 0.035 63.313 63.200 0.131 0.000 0.819 93 S HN 0.941 nan 8.310 nan 0.000 0.503 94 R N -0.825 119.687 120.500 0.020 0.000 2.709 94 R HA 0.624 4.997 4.340 0.056 0.000 0.270 94 R C -1.781 174.515 176.300 -0.007 0.000 1.038 94 R CA -1.077 55.002 56.100 -0.035 0.000 0.872 94 R CB 0.759 31.068 30.300 0.014 0.000 1.259 94 R HN 0.462 nan 8.270 nan 0.000 0.473 95 V N -0.464 119.408 119.914 -0.070 0.000 2.604 95 V HA 0.861 5.015 4.120 0.056 0.000 0.305 95 V C -0.151 175.896 176.094 -0.079 0.000 1.043 95 V CA -0.825 61.418 62.300 -0.094 0.000 0.888 95 V CB 1.650 33.390 31.823 -0.138 0.000 0.995 95 V HN 0.975 nan 8.190 nan 0.000 0.429 96 M N 1.251 120.810 119.600 -0.068 0.000 2.880 96 M HA 0.721 5.235 4.480 0.056 0.000 0.269 96 M C -1.033 175.217 176.300 -0.084 0.000 1.248 96 M CA -0.534 54.724 55.300 -0.069 0.000 0.821 96 M CB 1.903 34.485 32.600 -0.030 0.000 1.650 96 M HN 0.577 nan 8.290 nan 0.000 0.479 97 D N 0.098 120.456 120.400 -0.070 0.000 2.716 97 D HA -0.060 4.613 4.640 0.056 0.000 0.239 97 D C -0.129 176.138 176.300 -0.055 0.000 1.125 97 D CA 1.418 55.391 54.000 -0.046 0.000 0.681 97 D CB -1.437 39.322 40.800 -0.069 0.000 1.070 97 D HN 1.024 nan 8.370 nan 0.000 0.432 98 A N 0.308 123.099 122.820 -0.048 0.000 2.546 98 A HA 0.409 4.762 4.320 0.056 0.000 0.243 98 A C 0.812 178.406 177.584 0.017 0.000 1.063 98 A CA 0.629 52.646 52.037 -0.033 0.000 0.757 98 A CB 0.427 19.411 19.000 -0.026 0.000 0.991 98 A HN 0.171 nan 8.150 nan 0.000 0.503 99 T N 2.637 117.205 114.554 0.023 0.000 2.809 99 T HA 0.525 4.909 4.350 0.056 0.000 0.284 99 T C -0.442 174.423 174.700 0.275 0.000 0.992 99 T CA -0.419 61.752 62.100 0.118 0.000 0.957 99 T CB 1.130 70.025 68.868 0.045 0.000 0.942 99 T HN 0.495 nan 8.240 nan 0.000 0.439 100 V N 4.518 124.607 119.914 0.293 0.000 2.555 100 V HA 0.620 4.773 4.120 0.056 0.000 0.302 100 V C -0.256 176.009 176.094 0.286 0.000 1.038 100 V CA -0.924 61.561 62.300 0.309 0.000 0.887 100 V CB 1.705 33.663 31.823 0.225 0.000 0.991 100 V HN 0.815 nan 8.190 nan 0.000 0.434 101 I N 3.406 124.146 120.570 0.284 0.000 2.569 101 I HA 0.592 4.795 4.170 0.056 0.000 0.296 101 I C -0.999 175.273 176.117 0.258 0.000 1.028 101 I CA -0.976 60.434 61.300 0.185 0.000 1.082 101 I CB 2.441 40.448 38.000 0.013 0.000 1.264 101 I HN 0.277 nan 8.210 nan 0.000 0.429 102 V N 5.558 125.585 119.914 0.189 0.000 2.407 102 V HA 0.424 4.578 4.120 0.056 0.000 0.291 102 V C -0.348 175.835 176.094 0.149 0.000 1.018 102 V CA -0.654 61.752 62.300 0.175 0.000 0.842 102 V CB 1.763 33.662 31.823 0.126 0.000 0.996 102 V HN 0.622 nan 8.190 nan 0.000 0.426 103 K N 3.394 123.905 120.400 0.185 0.000 2.507 103 K HA 0.636 4.990 4.320 0.056 0.000 0.252 103 K C 0.656 177.315 176.600 0.100 0.000 0.943 103 K CA 0.407 56.775 56.287 0.136 0.000 0.808 103 K CB 1.758 34.352 32.500 0.156 0.000 1.142 103 K HN 0.959 nan 8.250 nan 0.000 0.426 104 G N 3.481 112.313 108.800 0.054 0.000 2.596 104 G HA2 -0.390 3.604 3.960 0.056 0.000 0.295 104 G HA3 -0.390 3.604 3.960 0.056 0.000 0.295 104 G C 0.190 175.091 174.900 0.002 0.000 1.240 104 G CA 0.519 45.633 45.100 0.023 0.000 0.985 104 G HN 0.839 nan 8.290 nan 0.000 0.555 105 N N 1.167 119.850 118.700 -0.027 0.000 2.276 105 N HA 0.101 4.875 4.740 0.056 0.000 0.212 105 N C 0.047 175.490 175.510 -0.111 0.000 1.127 105 N CA 0.426 53.436 53.050 -0.066 0.000 0.834 105 N CB 0.270 38.709 38.487 -0.079 0.000 1.014 105 N HN 0.558 nan 8.380 nan 0.000 0.491 106 K N 0.842 121.188 120.400 -0.090 0.000 2.156 106 K HA 0.433 4.787 4.320 0.056 0.000 0.254 106 K C -0.595 175.924 176.600 -0.134 0.000 0.950 106 K CA -0.678 55.501 56.287 -0.181 0.000 0.849 106 K CB 2.409 34.770 32.500 -0.232 0.000 1.100 106 K HN 0.052 nan 8.250 nan 0.000 0.434 107 L N 2.701 123.799 121.223 -0.208 0.000 2.325 107 L HA 0.365 4.739 4.340 0.056 0.000 0.281 107 L C -1.006 175.838 176.870 -0.044 0.000 1.004 107 L CA -0.788 54.045 54.840 -0.012 0.000 0.823 107 L CB 0.816 42.933 42.059 0.096 0.000 1.236 107 L HN 0.458 nan 8.230 nan 0.000 0.415 108 Y N 4.395 124.822 120.300 0.211 0.000 2.491 108 Y HA 0.464 5.048 4.550 0.055 0.000 0.334 108 Y C 0.157 176.246 175.900 0.315 0.000 0.969 108 Y CA -0.384 57.877 58.100 0.267 0.000 1.241 108 Y CB 0.679 39.300 38.460 0.270 0.000 1.105 108 Y HN 0.377 nan 8.280 nan 0.000 0.503 109 I N 4.767 125.560 120.570 0.372 0.000 2.396 109 I HA 0.267 4.470 4.170 0.056 0.000 0.292 109 I C -0.749 175.460 176.117 0.153 0.000 0.999 109 I CA -0.932 60.520 61.300 0.253 0.000 1.310 109 I CB 1.539 39.618 38.000 0.132 0.000 1.404 109 I HN 0.366 nan 8.210 nan 0.000 0.496 110 L N 8.782 130.026 121.223 0.035 0.000 2.372 110 L HA 0.644 5.018 4.340 0.056 0.000 0.273 110 L C -0.613 176.127 176.870 -0.217 0.000 0.989 110 L CA -0.372 54.355 54.840 -0.188 0.000 0.841 110 L CB 1.469 43.181 42.059 -0.578 0.000 1.225 110 L HN 0.434 nan 8.230 nan 0.000 0.414 111 V N 1.625 121.404 119.914 -0.226 0.000 3.046 111 V HA 1.007 5.161 4.120 0.056 0.000 0.316 111 V C 0.290 176.196 176.094 -0.312 0.000 1.104 111 V CA -0.169 61.994 62.300 -0.229 0.000 1.006 111 V CB 1.496 33.211 31.823 -0.181 0.000 1.058 111 V HN 0.865 nan 8.190 nan 0.000 0.440 112 G N 0.745 109.372 108.800 -0.288 0.000 2.395 112 G HA2 0.526 4.520 3.960 0.056 0.000 0.283 112 G HA3 0.526 4.520 3.960 0.056 0.000 0.283 112 G C -0.374 174.243 174.900 -0.472 0.000 1.178 112 G CA 0.060 44.922 45.100 -0.396 0.000 0.837 112 G HN 1.306 nan 8.290 nan 0.000 0.518 113 S N 0.839 116.073 115.700 -0.778 0.000 2.532 113 S HA 0.807 5.311 4.470 0.056 0.000 0.299 113 S C -1.153 173.003 174.600 -0.740 0.000 1.105 113 S CA -0.741 57.112 58.200 -0.578 0.000 1.018 113 S CB 0.476 63.427 63.200 -0.416 0.000 1.021 113 S HN 0.365 nan 8.310 nan 0.000 0.483 114 F N 3.130 123.057 119.950 -0.040 0.000 2.588 114 F HA 0.571 5.132 4.527 0.056 0.000 0.314 114 F C 1.041 176.842 175.800 0.001 0.000 1.069 114 F CA -1.016 57.001 58.000 0.027 0.000 0.931 114 F CB 1.601 40.668 39.000 0.112 0.000 1.260 114 F HN 0.431 nan 8.300 nan 0.000 0.465 115 N N 0.700 119.522 118.700 0.204 0.000 2.414 115 N HA 0.037 4.811 4.740 0.056 0.000 0.189 115 N C 0.991 176.564 175.510 0.104 0.000 1.039 115 N CA 1.021 54.137 53.050 0.110 0.000 0.889 115 N CB 0.129 38.652 38.487 0.061 0.000 1.085 115 N HN 0.726 nan 8.380 nan 0.000 0.442 116 K N -0.726 119.728 120.400 0.089 0.000 2.588 116 K HA 0.142 4.496 4.320 0.056 0.000 0.216 116 K C -0.230 176.379 176.600 0.016 0.000 1.382 116 K CA -0.130 56.188 56.287 0.051 0.000 1.008 116 K CB 0.043 32.563 32.500 0.033 0.000 1.138 116 K HN -0.020 nan 8.250 nan 0.000 0.619 117 T N 0.425 114.975 114.554 -0.007 0.000 2.934 117 T HA 0.183 4.566 4.350 0.056 0.000 0.306 117 T C 0.626 175.307 174.700 -0.032 0.000 1.042 117 T CA -0.315 61.741 62.100 -0.073 0.000 1.145 117 T CB 1.435 70.174 68.868 -0.215 0.000 0.982 117 T HN 0.229 nan 8.240 nan 0.000 0.544 118 R N 1.230 121.708 120.500 -0.037 0.000 2.365 118 R HA 0.177 4.551 4.340 0.056 0.000 0.223 118 R C 0.474 176.742 176.300 -0.052 0.000 0.899 118 R CA -0.289 55.783 56.100 -0.047 0.000 1.059 118 R CB 0.181 30.448 30.300 -0.056 0.000 1.086 118 R HN 0.812 nan 8.270 nan 0.000 0.522 119 N N -0.007 118.694 118.700 0.000 0.000 2.477 119 N HA 0.093 4.867 4.740 0.056 0.000 0.284 119 N C -0.374 175.179 175.510 0.073 0.000 1.182 119 N CA -0.613 52.447 53.050 0.017 0.000 0.949 119 N CB 1.162 39.670 38.487 0.035 0.000 1.204 119 N HN -0.080 nan 8.380 nan 0.000 0.526 120 S N -0.084 115.602 115.700 -0.024 0.000 2.593 120 S HA 0.071 4.574 4.470 0.056 0.000 0.269 120 S C 1.408 175.844 174.600 -0.274 0.000 1.334 120 S CA -0.858 57.287 58.200 -0.092 0.000 1.015 120 S CB 0.214 63.381 63.200 -0.055 0.000 0.912 120 S HN 0.805 nan 8.310 nan 0.000 0.541 121 W N 2.195 123.120 121.300 -0.624 0.000 2.325 121 W HA -0.187 4.502 4.660 0.047 0.000 0.299 121 W C 1.402 177.598 176.519 -0.538 0.000 1.215 121 W CA 2.208 59.032 57.345 -0.868 0.000 1.244 121 W CB -2.345 26.847 29.460 -0.446 0.000 1.140 121 W HN 0.817 nan 8.180 nan 0.000 0.523 122 T N -0.970 113.104 114.554 -0.800 0.000 2.951 122 T HA -0.021 4.363 4.350 0.056 0.000 0.268 122 T C 2.099 176.603 174.700 -0.327 0.000 1.073 122 T CA 2.280 63.961 62.100 -0.699 0.000 1.134 122 T CB -0.907 67.550 68.868 -0.685 0.000 0.884 122 T HN 0.358 nan 8.240 nan 0.000 0.479 123 Q N 0.579 120.241 119.800 -0.230 0.000 2.280 123 Q HA 0.215 4.588 4.340 0.056 0.000 0.202 123 Q C 0.400 176.444 176.000 0.074 0.000 0.903 123 Q CA -0.125 55.634 55.803 -0.073 0.000 0.948 123 Q CB -0.820 27.889 28.738 -0.050 0.000 1.058 123 Q HN 0.740 nan 8.270 nan 0.000 0.493 124 H N -0.520 118.539 119.070 -0.019 0.000 2.757 124 H HA 0.437 5.025 4.556 0.053 0.000 0.370 124 H C 1.815 177.158 175.328 0.025 0.000 1.172 124 H CA 0.578 56.643 56.048 0.028 0.000 1.426 124 H CB 1.022 30.841 29.762 0.095 0.000 1.438 124 H HN 0.452 nan 8.280 nan 0.000 0.612 125 R N 1.861 122.442 120.500 0.134 0.000 2.093 125 R HA 0.011 4.385 4.340 0.056 0.000 0.224 125 R C 0.436 176.790 176.300 0.091 0.000 1.101 125 R CA 2.017 58.164 56.100 0.078 0.000 0.979 125 R CB -0.832 29.491 30.300 0.040 0.000 0.877 125 R HN 0.898 nan 8.270 nan 0.000 0.441 126 D N -5.298 115.175 120.400 0.121 0.000 3.009 126 D HA 0.431 5.104 4.640 0.056 0.000 0.318 126 D C 0.756 177.182 176.300 0.210 0.000 1.273 126 D CA 0.070 54.152 54.000 0.137 0.000 1.001 126 D CB 0.433 41.300 40.800 0.111 0.000 1.411 126 D HN -0.001 nan 8.370 nan 0.000 0.577 127 G N -1.182 107.763 108.800 0.243 0.000 3.393 127 G HA2 0.126 4.120 3.960 0.056 0.000 0.255 127 G HA3 0.126 4.120 3.960 0.056 0.000 0.255 127 G C 0.979 176.120 174.900 0.402 0.000 1.097 127 G CA 0.367 45.695 45.100 0.379 0.000 0.780 127 G HN 0.466 nan 8.290 nan 0.000 0.540 128 S N 0.777 116.622 115.700 0.243 0.000 2.469 128 S HA -0.140 4.364 4.470 0.056 0.000 0.238 128 S C 1.515 176.199 174.600 0.141 0.000 0.998 128 S CA 1.424 59.723 58.200 0.165 0.000 0.957 128 S CB -0.017 63.243 63.200 0.101 0.000 0.764 128 S HN 0.414 nan 8.310 nan 0.000 0.514 129 D N -0.863 119.652 120.400 0.191 0.000 2.440 129 D HA 0.072 4.746 4.640 0.056 0.000 0.216 129 D C -0.108 176.343 176.300 0.251 0.000 1.150 129 D CA -0.737 53.362 54.000 0.165 0.000 0.832 129 D CB -0.453 40.413 40.800 0.111 0.000 0.992 129 D HN 0.652 nan 8.370 nan 0.000 0.502 130 W N 1.416 122.756 121.300 0.066 0.000 2.570 130 W HA 0.599 5.274 4.660 0.024 0.000 0.337 130 W C -1.121 175.230 176.519 -0.281 0.000 1.067 130 W CA -0.563 56.671 57.345 -0.185 0.000 1.229 130 W CB 1.299 30.733 29.460 -0.043 0.000 1.355 130 W HN -0.234 nan 8.180 nan 0.000 0.555 131 E N 5.625 124.708 120.200 -1.862 0.000 2.304 131 E HA 0.205 4.588 4.350 0.056 0.000 0.277 131 E C -2.584 173.014 176.600 -1.671 0.000 0.898 131 E CA -2.196 53.099 56.400 -1.842 0.000 0.764 131 E CB 2.959 32.137 29.700 -0.870 0.000 1.216 131 E HN 0.149 nan 8.360 nan 0.000 0.419 132 P HA 0.226 nan 4.420 nan 0.000 0.291 132 P C -0.674 176.278 177.300 -0.579 0.000 1.340 132 P CA -0.176 62.380 63.100 -0.907 0.000 0.799 132 P CB 0.462 31.549 31.700 -1.022 0.000 0.917 133 L N 4.366 125.315 121.223 -0.457 0.000 2.309 133 L HA 0.469 4.843 4.340 0.056 0.000 0.282 133 L C 0.290 177.040 176.870 -0.199 0.000 1.036 133 L CA -1.175 53.490 54.840 -0.292 0.000 0.806 133 L CB 1.570 43.478 42.059 -0.252 0.000 1.220 133 L HN 0.248 nan 8.230 nan 0.000 0.429 134 L N 4.294 125.457 121.223 -0.099 0.000 2.313 134 L HA 0.663 5.037 4.340 0.056 0.000 0.283 134 L C -0.762 176.160 176.870 0.087 0.000 1.013 134 L CA -0.280 54.571 54.840 0.017 0.000 0.816 134 L CB 1.742 43.855 42.059 0.090 0.000 1.236 134 L HN 0.264 nan 8.230 nan 0.000 0.419 135 V N 5.557 125.551 119.914 0.133 0.000 2.709 135 V HA 0.623 4.777 4.120 0.056 0.000 0.308 135 V C -0.711 175.516 176.094 0.223 0.000 1.062 135 V CA -0.656 61.737 62.300 0.155 0.000 0.901 135 V CB 2.364 34.253 31.823 0.111 0.000 1.003 135 V HN 0.528 nan 8.190 nan 0.000 0.425 136 V N 2.984 122.999 119.914 0.169 0.000 2.555 136 V HA 0.926 5.080 4.120 0.056 0.000 0.302 136 V C 0.482 176.585 176.094 0.014 0.000 1.038 136 V CA -0.240 62.061 62.300 0.001 0.000 0.887 136 V CB 1.868 33.613 31.823 -0.130 0.000 0.991 136 V HN 0.996 nan 8.190 nan 0.000 0.434 137 G N 2.235 110.921 108.800 -0.190 0.000 2.563 137 G HA2 0.711 4.705 3.960 0.056 0.000 0.302 137 G HA3 0.711 4.705 3.960 0.056 0.000 0.302 137 G C -1.531 173.048 174.900 -0.534 0.000 1.301 137 G CA -0.437 44.294 45.100 -0.614 0.000 0.965 137 G HN 0.665 nan 8.290 nan 0.000 0.480 138 E N 0.848 120.732 120.200 -0.527 0.000 2.218 138 E HA 0.469 4.853 4.350 0.056 0.000 0.263 138 E C -1.002 175.376 176.600 -0.372 0.000 0.879 138 E CA -0.588 55.598 56.400 -0.356 0.000 0.762 138 E CB 2.274 31.821 29.700 -0.255 0.000 1.166 138 E HN 0.236 nan 8.360 nan 0.000 0.415 139 V N 3.938 123.672 119.914 -0.300 0.000 2.461 139 V HA 0.221 4.375 4.120 0.056 0.000 0.275 139 V C -0.012 175.956 176.094 -0.210 0.000 1.047 139 V CA 0.076 62.205 62.300 -0.284 0.000 0.955 139 V CB 1.506 33.190 31.823 -0.232 0.000 0.988 139 V HN 0.731 nan 8.190 nan 0.000 0.471 140 T N 5.995 120.419 114.554 -0.216 0.000 2.963 140 T HA 0.206 4.589 4.350 0.056 0.000 0.343 140 T C 0.326 174.943 174.700 -0.138 0.000 1.146 140 T CA -0.380 61.628 62.100 -0.154 0.000 1.016 140 T CB 0.136 68.918 68.868 -0.143 0.000 1.046 140 T HN 0.570 nan 8.240 nan 0.000 0.496 141 K N 3.717 124.051 120.400 -0.111 0.000 2.765 141 K HA 0.190 4.544 4.320 0.056 0.000 0.246 141 K C 0.713 177.276 176.600 -0.062 0.000 1.254 141 K CA -0.221 56.014 56.287 -0.087 0.000 1.219 141 K CB -0.092 32.361 32.500 -0.077 0.000 1.747 141 K HN 0.653 nan 8.250 nan 0.000 0.372 142 S N 0.054 115.720 115.700 -0.058 0.000 2.617 142 S HA 0.553 5.056 4.470 0.056 0.000 0.259 142 S C 0.450 175.029 174.600 -0.034 0.000 1.301 142 S CA -0.259 57.916 58.200 -0.042 0.000 0.984 142 S CB 1.476 64.654 63.200 -0.038 0.000 0.954 142 S HN 0.415 nan 8.310 nan 0.000 0.572 143 A N 1.213 124.016 122.820 -0.027 0.000 3.978 143 A HA 1.045 5.399 4.320 0.056 0.000 0.159 143 A C 0.104 177.677 177.584 -0.018 0.000 0.922 143 A CA -0.416 51.607 52.037 -0.023 0.000 0.937 143 A CB 0.078 19.065 19.000 -0.022 0.000 1.509 143 A HN 2.297 nan 8.150 nan 0.000 0.739 144 A N -1.175 121.635 122.820 -0.016 0.000 2.479 144 A HA 0.426 4.780 4.320 0.056 0.000 0.297 144 A C -1.106 176.470 177.584 -0.013 0.000 0.967 144 A CA -0.247 51.782 52.037 -0.014 0.000 0.606 144 A CB -0.652 18.341 19.000 -0.012 0.000 1.382 144 A HN 1.363 nan 8.150 nan 0.000 0.457 145 N N 1.204 119.898 118.700 -0.011 0.000 2.292 145 N HA 0.209 4.983 4.740 0.056 0.000 0.284 145 N C 0.861 176.364 175.510 -0.011 0.000 1.387 145 N CA 0.645 53.689 53.050 -0.011 0.000 0.961 145 N CB -0.036 38.445 38.487 -0.009 0.000 1.356 145 N HN 2.332 nan 8.380 nan 0.000 0.491 146 G N 1.307 110.099 108.800 -0.012 0.000 2.386 146 G HA2 -0.304 3.690 3.960 0.056 0.000 0.295 146 G HA3 -0.304 3.690 3.960 0.056 0.000 0.295 146 G C -0.219 174.672 174.900 -0.015 0.000 0.979 146 G CA 0.391 45.483 45.100 -0.013 0.000 1.193 146 G HN 0.815 nan 8.290 nan 0.000 0.508 147 K N -0.224 120.166 120.400 -0.017 0.000 2.372 147 K HA 0.288 4.642 4.320 0.056 0.000 0.354 147 K C 0.363 176.951 176.600 -0.021 0.000 1.394 147 K CA -0.166 56.109 56.287 -0.020 0.000 1.138 147 K CB 0.141 32.630 32.500 -0.017 0.000 1.399 147 K HN 0.206 nan 8.250 nan 0.000 0.480 148 T N 1.517 116.056 114.554 -0.025 0.000 2.766 148 T HA 0.476 4.859 4.350 0.056 0.000 0.295 148 T C 0.282 174.969 174.700 -0.022 0.000 1.024 148 T CA -0.010 62.074 62.100 -0.026 0.000 1.018 148 T CB 0.774 69.624 68.868 -0.031 0.000 1.002 148 T HN 0.697 nan 8.240 nan 0.000 0.532 149 T N -2.237 112.305 114.554 -0.020 0.000 2.731 149 T HA 0.794 5.178 4.350 0.056 0.000 0.300 149 T C -1.331 173.359 174.700 -0.018 0.000 1.283 149 T CA -0.811 61.285 62.100 -0.006 0.000 1.005 149 T CB 1.643 70.512 68.868 0.001 0.000 1.420 149 T HN 0.996 nan 8.240 nan 0.000 0.503 150 A N 0.534 123.352 122.820 -0.003 0.000 2.597 150 A HA 0.878 5.231 4.320 0.056 0.000 0.292 150 A C -0.504 177.002 177.584 -0.130 0.000 1.057 150 A CA -0.548 51.440 52.037 -0.082 0.000 0.674 150 A CB 1.115 20.041 19.000 -0.124 0.000 1.278 150 A HN 1.682 nan 8.150 nan 0.000 0.416 151 T N -0.886 113.532 114.554 -0.225 0.000 2.916 151 T HA 0.815 5.198 4.350 0.056 0.000 0.292 151 T C -0.649 173.798 174.700 -0.422 0.000 1.055 151 T CA -0.584 61.354 62.100 -0.271 0.000 1.009 151 T CB 1.348 70.140 68.868 -0.125 0.000 1.118 151 T HN 0.750 nan 8.240 nan 0.000 0.497 152 I N 2.180 122.477 120.570 -0.455 0.000 2.468 152 I HA 0.410 4.613 4.170 0.056 0.000 0.285 152 I C 0.050 175.855 176.117 -0.521 0.000 1.039 152 I CA -0.893 60.050 61.300 -0.595 0.000 1.074 152 I CB 2.034 39.606 38.000 -0.713 0.000 1.228 152 I HN 0.872 nan 8.210 nan 0.000 0.436 153 S N 5.328 120.741 115.700 -0.479 0.000 2.480 153 S HA 0.568 5.072 4.470 0.056 0.000 0.286 153 S C -1.237 173.118 174.600 -0.408 0.000 1.180 153 S CA -0.441 57.583 58.200 -0.293 0.000 1.075 153 S CB 0.788 63.890 63.200 -0.164 0.000 0.996 153 S HN 0.488 nan 8.310 nan 0.000 0.487 154 W N 1.832 123.115 121.300 -0.028 0.000 2.570 154 W HA 0.657 5.351 4.660 0.056 0.000 0.337 154 W C 0.786 177.290 176.519 -0.024 0.000 1.067 154 W CA -0.624 56.706 57.345 -0.025 0.000 1.229 154 W CB 1.686 31.143 29.460 -0.006 0.000 1.355 154 W HN 1.025 nan 8.180 nan 0.000 0.555 155 G N 0.409 109.337 108.800 0.212 0.000 2.521 155 G HA2 0.559 4.553 3.960 0.056 0.000 0.323 155 G HA3 0.559 4.553 3.960 0.056 0.000 0.323 155 G C -0.660 174.303 174.900 0.106 0.000 1.211 155 G CA -0.890 44.278 45.100 0.112 0.000 0.979 155 G HN 0.523 nan 8.290 nan 0.000 0.490 156 K N 0.284 120.722 120.400 0.064 0.000 2.355 156 K HA 0.513 4.867 4.320 0.056 0.000 0.270 156 K C -2.327 174.298 176.600 0.042 0.000 1.003 156 K CA -0.971 55.341 56.287 0.041 0.000 0.957 156 K CB -0.497 32.017 32.500 0.024 0.000 0.939 156 K HN 0.514 nan 8.250 nan 0.000 0.482 157 P HA 0.452 nan 4.420 nan 0.000 0.277 157 P C -1.059 176.236 177.300 -0.008 0.000 1.240 157 P CA -0.633 62.467 63.100 -0.001 0.000 0.798 157 P CB 1.204 32.874 31.700 -0.050 0.000 0.979 158 V N 0.660 120.573 119.914 -0.000 0.000 2.540 158 V HA 0.393 4.547 4.120 0.056 0.000 0.302 158 V C 0.309 176.373 176.094 -0.050 0.000 1.035 158 V CA -0.756 61.545 62.300 0.001 0.000 0.873 158 V CB 1.667 33.530 31.823 0.065 0.000 0.992 158 V HN 0.613 nan 8.190 nan 0.000 0.428 159 S N 4.014 119.665 115.700 -0.082 0.000 2.528 159 S HA 0.386 4.889 4.470 0.056 0.000 0.277 159 S C 0.633 175.183 174.600 -0.084 0.000 1.297 159 S CA -0.523 57.584 58.200 -0.155 0.000 1.052 159 S CB 0.349 63.439 63.200 -0.183 0.000 0.917 159 S HN 0.645 nan 8.310 nan 0.000 0.492 160 L N 4.583 125.737 121.223 -0.115 0.000 2.607 160 L HA 0.203 4.577 4.340 0.056 0.000 0.228 160 L C 2.134 179.082 176.870 0.131 0.000 1.123 160 L CA 0.087 54.952 54.840 0.042 0.000 0.890 160 L CB -0.440 41.663 42.059 0.073 0.000 1.103 160 L HN 0.724 nan 8.230 nan 0.000 0.468 161 K N 1.628 122.011 120.400 -0.029 0.000 2.063 161 K HA -0.149 4.205 4.320 0.056 0.000 0.208 161 K C -0.578 176.141 176.600 0.199 0.000 1.048 161 K CA 1.526 57.846 56.287 0.056 0.000 0.928 161 K CB -0.467 31.936 32.500 -0.163 0.000 0.713 161 K HN 0.167 nan 8.250 nan 0.000 0.442 162 P HA -0.116 nan 4.420 nan 0.000 0.225 162 P C 0.186 177.598 177.300 0.185 0.000 1.148 162 P CA 1.022 64.206 63.100 0.140 0.000 0.779 162 P CB 0.066 31.826 31.700 0.100 0.000 0.780 163 L N -3.347 118.034 121.223 0.263 0.000 2.653 163 L HA 0.267 4.641 4.340 0.056 0.000 0.231 163 L C 0.377 177.467 176.870 0.367 0.000 1.153 163 L CA -0.348 54.682 54.840 0.316 0.000 0.933 163 L CB -0.434 41.863 42.059 0.396 0.000 1.175 163 L HN -0.108 nan 8.230 nan 0.000 0.473 164 F N 3.339 123.351 119.950 0.102 0.000 2.361 164 F HA 0.577 5.124 4.527 0.034 0.000 0.364 164 F C -2.133 173.542 175.800 -0.207 0.000 1.120 164 F CA -3.523 54.394 58.000 -0.137 0.000 1.102 164 F CB 0.711 39.809 39.000 0.165 0.000 1.183 164 F HN -0.155 nan 8.300 nan 0.000 0.476 165 P HA 0.180 nan 4.420 nan 0.000 0.269 165 P C -0.157 176.633 177.300 -0.851 0.000 1.209 165 P CA 0.093 62.795 63.100 -0.664 0.000 0.776 165 P CB 0.953 32.163 31.700 -0.817 0.000 0.876 166 A N 0.778 123.302 122.820 -0.492 0.000 2.072 166 A HA 0.268 4.622 4.320 0.056 0.000 0.216 166 A C 1.091 178.418 177.584 -0.428 0.000 1.156 166 A CA 1.252 53.056 52.037 -0.388 0.000 0.701 166 A CB -0.754 18.140 19.000 -0.177 0.000 0.816 166 A HN 0.622 nan 8.150 nan 0.000 0.458 167 E N -0.766 119.143 120.200 -0.485 0.000 2.199 167 E HA 0.674 5.058 4.350 0.056 0.000 0.269 167 E C -1.278 174.988 176.600 -0.556 0.000 0.899 167 E CA -0.801 55.370 56.400 -0.382 0.000 0.772 167 E CB 0.793 30.377 29.700 -0.194 0.000 1.155 167 E HN 0.348 nan 8.360 nan 0.000 0.408 168 F N 2.005 121.898 119.950 -0.095 0.000 2.434 168 F HA 0.309 4.879 4.527 0.073 0.000 0.355 168 F C 0.326 176.082 175.800 -0.074 0.000 1.115 168 F CA -0.714 57.242 58.000 -0.073 0.000 1.010 168 F CB 1.892 40.883 39.000 -0.016 0.000 1.234 168 F HN 0.658 nan 8.300 nan 0.000 0.439 169 D N 3.092 123.569 120.400 0.129 0.000 2.751 169 D HA -0.202 4.471 4.640 0.056 0.000 0.233 169 D C 1.206 177.518 176.300 0.019 0.000 1.149 169 D CA 1.800 55.829 54.000 0.049 0.000 0.682 169 D CB -0.862 39.947 40.800 0.015 0.000 1.068 169 D HN 1.039 nan 8.370 nan 0.000 0.429 170 G N -1.066 107.736 108.800 0.004 0.000 2.184 170 G HA2 -0.345 3.649 3.960 0.056 0.000 0.264 170 G HA3 -0.345 3.649 3.960 0.056 0.000 0.264 170 G C 0.532 175.427 174.900 -0.008 0.000 0.975 170 G CA 0.205 45.297 45.100 -0.013 0.000 0.642 170 G HN 0.576 nan 8.290 nan 0.000 0.536 171 I N 2.438 123.019 120.570 0.019 0.000 2.421 171 I HA 0.204 4.408 4.170 0.056 0.000 0.291 171 I C 1.239 177.367 176.117 0.017 0.000 1.089 171 I CA -0.481 60.846 61.300 0.045 0.000 1.354 171 I CB 0.544 38.605 38.000 0.101 0.000 1.413 171 I HN 0.007 nan 8.210 nan 0.000 0.513 172 L N 6.800 128.024 121.223 0.002 0.000 2.513 172 L HA 0.103 4.477 4.340 0.056 0.000 0.272 172 L C 0.657 177.528 176.870 0.002 0.000 1.187 172 L CA -0.019 54.804 54.840 -0.028 0.000 0.895 172 L CB -0.178 41.872 42.059 -0.015 0.000 1.147 172 L HN 0.632 nan 8.230 nan 0.000 0.483 173 T N 0.022 114.520 114.554 -0.094 0.000 2.837 173 T HA 0.277 4.661 4.350 0.056 0.000 0.285 173 T C 0.452 175.201 174.700 0.082 0.000 0.984 173 T CA -0.860 61.212 62.100 -0.047 0.000 1.049 173 T CB 2.827 71.406 68.868 -0.481 0.000 0.947 173 T HN 0.613 nan 8.240 nan 0.000 0.472 174 K N 1.631 122.130 120.400 0.165 0.000 2.218 174 K HA 0.218 4.572 4.320 0.056 0.000 0.214 174 K C 0.220 176.864 176.600 0.074 0.000 1.033 174 K CA 0.286 56.652 56.287 0.132 0.000 0.949 174 K CB 0.477 33.016 32.500 0.065 0.000 0.993 174 K HN 0.873 nan 8.250 nan 0.000 0.464 175 E N -0.980 119.174 120.200 -0.078 0.000 2.430 175 E HA 0.288 4.672 4.350 0.056 0.000 0.279 175 E C -1.375 174.976 176.600 -0.416 0.000 1.003 175 E CA -0.931 54.937 56.400 -0.886 0.000 0.801 175 E CB 1.810 30.782 29.700 -1.214 0.000 1.313 175 E HN 0.147 nan 8.360 nan 0.000 0.459 176 F N -0.972 118.384 119.950 -0.990 0.000 2.629 176 F HA 0.866 5.420 4.527 0.046 0.000 0.316 176 F C -1.708 173.929 175.800 -0.272 0.000 1.081 176 F CA -0.832 56.976 58.000 -0.319 0.000 0.954 176 F CB 1.382 40.264 39.000 -0.198 0.000 1.337 176 F HN 0.276 nan 8.300 nan 0.000 0.474 177 V N 1.043 120.890 119.914 -0.111 0.000 3.147 177 V HA 0.712 4.866 4.120 0.056 0.000 0.306 177 V C 0.350 176.450 176.094 0.010 0.000 1.209 177 V CA -0.535 61.590 62.300 -0.293 0.000 1.023 177 V CB 1.807 33.287 31.823 -0.572 0.000 1.059 177 V HN 1.256 nan 8.190 nan 0.000 0.435 178 G N 0.807 109.543 108.800 -0.107 0.000 2.699 178 G HA2 0.390 4.384 3.960 0.056 0.000 0.246 178 G HA3 0.390 4.384 3.960 0.056 0.000 0.246 178 G C 1.124 176.029 174.900 0.009 0.000 1.219 178 G CA 0.285 45.334 45.100 -0.084 0.000 0.866 178 G HN 1.237 nan 8.290 nan 0.000 0.572 179 G N -2.042 106.805 108.800 0.079 0.000 2.534 179 G HA2 0.269 4.262 3.960 0.056 0.000 0.217 179 G HA3 0.269 4.262 3.960 0.056 0.000 0.217 179 G C 0.350 175.297 174.900 0.077 0.000 1.128 179 G CA 0.979 46.144 45.100 0.108 0.000 0.784 179 G HN 1.537 nan 8.290 nan 0.000 0.542 180 V N -1.373 118.580 119.914 0.065 0.000 3.207 180 V HA 0.289 4.443 4.120 0.056 0.000 0.463 180 V C 0.645 176.788 176.094 0.083 0.000 0.682 180 V CA 0.219 62.558 62.300 0.065 0.000 2.002 180 V CB -1.169 30.700 31.823 0.077 0.000 2.468 180 V HN 2.096 nan 8.190 nan 0.000 0.496 181 G N 2.738 111.598 108.800 0.100 0.000 2.512 181 G HA2 0.423 4.417 3.960 0.056 0.000 0.210 181 G HA3 0.423 4.417 3.960 0.056 0.000 0.210 181 G C 0.057 175.048 174.900 0.151 0.000 1.295 181 G CA 0.046 45.215 45.100 0.115 0.000 0.934 181 G HN 2.544 nan 8.290 nan 0.000 0.554 182 A N -0.126 122.788 122.820 0.156 0.000 2.362 182 A HA 0.912 5.266 4.320 0.056 0.000 0.276 182 A C 0.851 178.544 177.584 0.182 0.000 1.153 182 A CA 1.390 53.530 52.037 0.172 0.000 0.813 182 A CB 0.397 19.493 19.000 0.160 0.000 1.081 182 A HN 2.487 nan 8.150 nan 0.000 0.507 183 A N 2.354 125.290 122.820 0.194 0.000 3.158 183 A HA 0.918 5.272 4.320 0.056 0.000 0.217 183 A C 0.216 177.863 177.584 0.105 0.000 1.469 183 A CA -0.002 52.135 52.037 0.168 0.000 0.885 183 A CB 0.277 19.397 19.000 0.201 0.000 1.662 183 A HN 1.642 nan 8.150 nan 0.000 0.512 184 I N -3.976 116.625 120.570 0.053 0.000 3.354 184 I HA 0.756 4.960 4.170 0.056 0.000 0.316 184 I C -1.497 174.617 176.117 -0.005 0.000 1.182 184 I CA -1.103 60.219 61.300 0.037 0.000 0.942 184 I CB 1.794 39.821 38.000 0.044 0.000 1.299 184 I HN 0.282 nan 8.210 nan 0.000 0.473 185 V N 1.905 121.822 119.914 0.005 0.000 2.417 185 V HA 0.598 4.752 4.120 0.056 0.000 0.291 185 V C 0.813 176.902 176.094 -0.008 0.000 1.024 185 V CA -0.286 62.005 62.300 -0.014 0.000 0.861 185 V CB 1.113 32.934 31.823 -0.002 0.000 0.985 185 V HN 0.944 nan 8.190 nan 0.000 0.436 186 G N 2.569 111.358 108.800 -0.018 0.000 2.544 186 G HA2 0.252 4.246 3.960 0.056 0.000 0.242 186 G HA3 0.252 4.246 3.960 0.056 0.000 0.242 186 G C 1.189 176.077 174.900 -0.021 0.000 1.247 186 G CA 0.344 45.431 45.100 -0.021 0.000 0.840 186 G HN 1.007 nan 8.290 nan 0.000 0.578 187 S N 0.475 116.161 115.700 -0.024 0.000 2.465 187 S HA -0.196 4.308 4.470 0.056 0.000 0.241 187 S C 1.684 176.268 174.600 -0.025 0.000 1.000 187 S CA 1.324 59.508 58.200 -0.025 0.000 0.964 187 S CB -0.247 62.932 63.200 -0.035 0.000 0.763 187 S HN 0.763 nan 8.310 nan 0.000 0.512 188 N N 1.089 119.772 118.700 -0.028 0.000 2.314 188 N HA 0.194 4.968 4.740 0.056 0.000 0.200 188 N C 1.211 176.707 175.510 -0.023 0.000 1.135 188 N CA 0.671 53.706 53.050 -0.025 0.000 0.835 188 N CB -0.418 38.053 38.487 -0.027 0.000 0.989 188 N HN 0.615 nan 8.380 nan 0.000 0.478 189 G N -0.059 108.727 108.800 -0.024 0.000 2.179 189 G HA2 -0.302 3.692 3.960 0.056 0.000 0.260 189 G HA3 -0.302 3.692 3.960 0.056 0.000 0.260 189 G C -0.183 174.692 174.900 -0.042 0.000 0.977 189 G CA -0.011 45.072 45.100 -0.028 0.000 0.641 189 G HN 0.490 nan 8.290 nan 0.000 0.533 190 N N 0.268 118.949 118.700 -0.032 0.000 2.453 190 N HA 0.341 5.114 4.740 0.056 0.000 0.253 190 N C 0.714 176.188 175.510 -0.059 0.000 1.252 190 N CA -0.036 52.996 53.050 -0.029 0.000 0.917 190 N CB 0.463 38.974 38.487 0.040 0.000 1.117 190 N HN 0.281 nan 8.380 nan 0.000 0.442 191 L N 1.755 122.907 121.223 -0.117 0.000 2.295 191 L HA 0.232 4.606 4.340 0.056 0.000 0.288 191 L C 0.175 177.034 176.870 -0.019 0.000 1.079 191 L CA -0.669 54.075 54.840 -0.160 0.000 0.830 191 L CB 0.483 42.336 42.059 -0.343 0.000 1.200 191 L HN 0.202 nan 8.230 nan 0.000 0.438 192 V N 3.948 123.851 119.914 -0.018 0.000 2.459 192 V HA 0.458 4.611 4.120 0.056 0.000 0.295 192 V C -1.198 174.925 176.094 0.048 0.000 1.029 192 V CA -0.341 62.014 62.300 0.091 0.000 0.874 192 V CB 1.638 33.517 31.823 0.092 0.000 0.985 192 V HN 0.524 nan 8.190 nan 0.000 0.438 193 Y N 6.767 127.184 120.300 0.195 0.000 2.328 193 Y HA 0.601 5.186 4.550 0.058 0.000 0.336 193 Y C -2.219 173.748 175.900 0.110 0.000 0.960 193 Y CA -2.681 55.493 58.100 0.123 0.000 1.134 193 Y CB 2.896 41.380 38.460 0.040 0.000 1.166 193 Y HN 0.563 nan 8.280 nan 0.000 0.464 194 P HA 0.163 nan 4.420 nan 0.000 0.280 194 P C -1.185 176.247 177.300 0.220 0.000 1.244 194 P CA -0.147 63.104 63.100 0.251 0.000 0.784 194 P CB 1.383 33.222 31.700 0.231 0.000 0.913 195 V N 0.629 120.660 119.914 0.195 0.000 2.925 195 V HA 0.628 4.782 4.120 0.056 0.000 0.311 195 V C -0.663 175.542 176.094 0.185 0.000 1.104 195 V CA -1.088 61.321 62.300 0.181 0.000 0.954 195 V CB 1.939 33.848 31.823 0.143 0.000 1.022 195 V HN 0.591 nan 8.190 nan 0.000 0.427 196 Q N 3.758 123.688 119.800 0.215 0.000 2.307 196 Q HA 0.671 5.045 4.340 0.056 0.000 0.262 196 Q C -1.355 174.815 176.000 0.283 0.000 0.961 196 Q CA -0.779 55.151 55.803 0.211 0.000 0.882 196 Q CB 2.400 31.314 28.738 0.293 0.000 1.264 196 Q HN 0.761 nan 8.270 nan 0.000 0.446 197 I N 1.680 122.215 120.570 -0.058 0.000 2.354 197 I HA 0.546 4.750 4.170 0.056 0.000 0.292 197 I C -0.280 175.680 176.117 -0.260 0.000 0.989 197 I CA -0.849 60.376 61.300 -0.126 0.000 1.188 197 I CB 1.256 38.839 38.000 -0.696 0.000 1.342 197 I HN 0.791 nan 8.210 nan 0.000 0.457 198 A N 5.343 128.117 122.820 -0.076 0.000 2.290 198 A HA 0.556 4.910 4.320 0.056 0.000 0.310 198 A C -0.184 177.439 177.584 0.065 0.000 1.202 198 A CA -0.617 51.301 52.037 -0.198 0.000 0.837 198 A CB 0.540 19.184 19.000 -0.595 0.000 1.139 198 A HN 0.781 nan 8.150 nan 0.000 0.509 199 D N 1.969 122.491 120.400 0.203 0.000 2.423 199 D HA 0.301 4.974 4.640 0.056 0.000 0.255 199 D C 0.153 176.503 176.300 0.083 0.000 1.174 199 D CA -0.710 53.423 54.000 0.222 0.000 1.008 199 D CB 0.228 41.202 40.800 0.290 0.000 1.101 199 D HN 0.240 nan 8.370 nan 0.000 0.516 200 M N 0.190 119.829 119.600 0.066 0.000 2.269 200 M HA 0.303 4.817 4.480 0.056 0.000 0.350 200 M C 1.358 177.664 176.300 0.009 0.000 1.429 200 M CA 0.974 56.294 55.300 0.033 0.000 1.063 200 M CB -0.337 32.279 32.600 0.026 0.000 1.841 200 M HN 0.942 nan 8.290 nan 0.000 0.455 201 G N 2.316 111.111 108.800 -0.009 0.000 2.218 201 G HA2 -0.109 3.884 3.960 0.056 0.000 0.216 201 G HA3 -0.109 3.884 3.960 0.056 0.000 0.216 201 G C 0.786 175.653 174.900 -0.056 0.000 0.994 201 G CA 0.200 45.281 45.100 -0.032 0.000 0.637 201 G HN 1.543 nan 8.290 nan 0.000 0.505 202 G N -0.735 108.022 108.800 -0.071 0.000 2.194 202 G HA2 -0.236 3.758 3.960 0.056 0.000 0.236 202 G HA3 -0.236 3.758 3.960 0.056 0.000 0.236 202 G C 0.358 175.204 174.900 -0.090 0.000 0.987 202 G CA 0.833 45.860 45.100 -0.122 0.000 0.635 202 G HN 0.881 nan 8.290 nan 0.000 0.520 203 R N 0.467 120.958 120.500 -0.014 0.000 2.449 203 R HA 0.420 4.794 4.340 0.056 0.000 0.296 203 R C 0.208 176.658 176.300 0.251 0.000 1.047 203 R CA 0.359 56.519 56.100 0.100 0.000 1.018 203 R CB 1.370 31.681 30.300 0.018 0.000 0.962 203 R HN 0.257 nan 8.270 nan 0.000 0.428 204 V N 5.591 125.648 119.914 0.238 0.000 2.834 204 V HA 0.789 4.943 4.120 0.056 0.000 0.313 204 V C -0.895 175.425 176.094 0.377 0.000 1.060 204 V CA -0.396 61.999 62.300 0.159 0.000 0.989 204 V CB 1.286 33.095 31.823 -0.023 0.000 1.041 204 V HN 0.716 nan 8.190 nan 0.000 0.459 205 F N 1.164 121.149 119.950 0.058 0.000 2.770 205 F HA 0.656 5.215 4.527 0.053 0.000 0.313 205 F C -0.932 174.854 175.800 -0.023 0.000 1.154 205 F CA -0.729 57.227 58.000 -0.073 0.000 0.923 205 F CB 1.294 40.085 39.000 -0.348 0.000 1.301 205 F HN 0.387 nan 8.300 nan 0.000 0.449 206 T N 1.915 116.471 114.554 0.005 0.000 2.895 206 T HA 0.681 5.064 4.350 0.056 0.000 0.283 206 T C -0.886 173.761 174.700 -0.089 0.000 1.014 206 T CA -0.664 61.447 62.100 0.019 0.000 1.037 206 T CB 1.545 70.514 68.868 0.168 0.000 1.006 206 T HN 0.656 nan 8.240 nan 0.000 0.468 207 K N 1.356 121.822 120.400 0.112 0.000 2.533 207 K HA 0.529 4.883 4.320 0.056 0.000 0.284 207 K C -1.427 175.383 176.600 0.351 0.000 1.025 207 K CA -0.961 55.439 56.287 0.189 0.000 0.900 207 K CB 1.705 34.226 32.500 0.036 0.000 1.519 207 K HN 0.284 nan 8.250 nan 0.000 0.432 208 I N 2.151 122.942 120.570 0.369 0.000 2.339 208 I HA 0.345 4.548 4.170 0.056 0.000 0.290 208 I C -0.455 175.788 176.117 0.209 0.000 0.994 208 I CA -0.328 61.138 61.300 0.277 0.000 1.191 208 I CB 1.283 39.426 38.000 0.239 0.000 1.343 208 I HN 0.589 nan 8.210 nan 0.000 0.458 209 M N 8.812 128.483 119.600 0.117 0.000 2.114 209 M HA 0.380 4.894 4.480 0.056 0.000 0.332 209 M C -1.528 174.971 176.300 0.330 0.000 1.014 209 M CA -0.587 54.666 55.300 -0.079 0.000 0.956 209 M CB 1.167 33.457 32.600 -0.516 0.000 1.551 209 M HN 0.501 nan 8.290 nan 0.000 0.427 210 Y N 1.574 121.986 120.300 0.188 0.000 2.633 210 Y HA 0.866 5.451 4.550 0.058 0.000 0.339 210 Y C -1.163 174.758 175.900 0.035 0.000 1.045 210 Y CA -1.645 56.564 58.100 0.182 0.000 1.098 210 Y CB 1.399 39.892 38.460 0.054 0.000 1.296 210 Y HN 0.513 nan 8.280 nan 0.000 0.494 211 S N -0.152 115.424 115.700 -0.207 0.000 2.575 211 S HA 0.426 4.930 4.470 0.056 0.000 0.278 211 S C -0.928 173.499 174.600 -0.288 0.000 1.139 211 S CA -0.627 57.226 58.200 -0.577 0.000 0.954 211 S CB 1.077 63.453 63.200 -1.374 0.000 1.054 211 S HN 0.817 nan 8.310 nan 0.000 0.483 212 E N 2.025 122.088 120.200 -0.229 0.000 2.624 212 E HA 0.152 4.536 4.350 0.056 0.000 0.210 212 E C -0.829 175.685 176.600 -0.144 0.000 0.997 212 E CA -0.035 56.301 56.400 -0.106 0.000 0.999 212 E CB 0.495 30.182 29.700 -0.022 0.000 1.040 212 E HN 0.642 nan 8.360 nan 0.000 0.469 213 D N -0.339 119.924 120.400 -0.229 0.000 3.078 213 D HA 0.035 4.709 4.640 0.056 0.000 0.363 213 D C -0.522 175.650 176.300 -0.213 0.000 1.391 213 D CA -0.497 53.397 54.000 -0.177 0.000 0.754 213 D CB -0.259 40.456 40.800 -0.141 0.000 1.238 213 D HN -0.222 nan 8.370 nan 0.000 0.500 214 D N 0.466 120.725 120.400 -0.234 0.000 2.733 214 D HA -0.136 4.538 4.640 0.056 0.000 0.232 214 D C 1.406 177.557 176.300 -0.249 0.000 1.161 214 D CA 2.282 56.147 54.000 -0.224 0.000 0.653 214 D CB -1.157 39.607 40.800 -0.061 0.000 1.052 214 D HN 0.834 nan 8.370 nan 0.000 0.424 215 G N -0.894 107.614 108.800 -0.487 0.000 2.284 215 G HA2 -0.338 3.655 3.960 0.056 0.000 0.201 215 G HA3 -0.338 3.655 3.960 0.056 0.000 0.201 215 G C 0.921 175.685 174.900 -0.226 0.000 0.998 215 G CA 0.485 45.371 45.100 -0.356 0.000 0.651 215 G HN 0.487 nan 8.290 nan 0.000 0.489 216 N N 0.523 119.085 118.700 -0.231 0.000 2.171 216 N HA 0.124 4.897 4.740 0.056 0.000 0.184 216 N C 1.286 176.707 175.510 -0.150 0.000 1.021 216 N CA 2.091 55.075 53.050 -0.110 0.000 0.854 216 N CB 0.185 38.617 38.487 -0.092 0.000 0.994 216 N HN 0.703 nan 8.380 nan 0.000 0.426 217 T N -3.564 110.787 114.554 -0.339 0.000 2.930 217 T HA 0.587 4.971 4.350 0.056 0.000 0.290 217 T C -1.315 173.077 174.700 -0.513 0.000 1.052 217 T CA -0.829 61.130 62.100 -0.234 0.000 1.017 217 T CB 1.360 70.149 68.868 -0.131 0.000 1.137 217 T HN 0.128 nan 8.240 nan 0.000 0.511 218 W N 0.250 121.525 121.300 -0.042 0.000 3.129 218 W HA 0.606 5.300 4.660 0.056 0.000 0.333 218 W C -0.655 175.785 176.519 -0.132 0.000 1.141 218 W CA -0.857 56.420 57.345 -0.113 0.000 1.224 218 W CB 2.209 31.656 29.460 -0.021 0.000 1.393 218 W HN 0.482 nan 8.180 nan 0.000 0.499 219 K N 2.551 122.874 120.400 -0.130 0.000 2.378 219 K HA 0.496 4.850 4.320 0.056 0.000 0.252 219 K C -1.458 175.121 176.600 -0.036 0.000 0.931 219 K CA -1.125 55.104 56.287 -0.098 0.000 0.794 219 K CB 2.311 34.581 32.500 -0.383 0.000 1.181 219 K HN 0.259 nan 8.250 nan 0.000 0.425 220 F N 1.600 121.636 119.950 0.143 0.000 2.390 220 F HA 0.258 4.825 4.527 0.067 0.000 0.361 220 F C 0.933 176.851 175.800 0.197 0.000 1.124 220 F CA -0.427 57.683 58.000 0.185 0.000 1.149 220 F CB 0.998 40.147 39.000 0.248 0.000 1.160 220 F HN 0.557 nan 8.300 nan 0.000 0.501 221 A N 3.357 126.397 122.820 0.367 0.000 2.445 221 A HA 0.143 4.497 4.320 0.056 0.000 0.242 221 A C 1.535 179.221 177.584 0.171 0.000 1.075 221 A CA -0.319 51.917 52.037 0.332 0.000 0.777 221 A CB 0.242 19.438 19.000 0.326 0.000 1.013 221 A HN 0.873 nan 8.150 nan 0.000 0.493 222 E N 1.465 121.751 120.200 0.142 0.000 2.086 222 E HA -0.146 4.238 4.350 0.056 0.000 0.205 222 E C 1.387 177.952 176.600 -0.060 0.000 1.027 222 E CA 2.018 58.450 56.400 0.053 0.000 0.830 222 E CB -0.316 29.429 29.700 0.075 0.000 0.751 222 E HN 0.897 nan 8.360 nan 0.000 0.456 223 G N -0.414 108.376 108.800 -0.017 0.000 2.634 223 G HA2 0.349 4.343 3.960 0.056 0.000 0.255 223 G HA3 0.349 4.343 3.960 0.056 0.000 0.255 223 G C -0.430 173.921 174.900 -0.914 0.000 1.205 223 G CA 0.006 44.896 45.100 -0.350 0.000 0.884 223 G HN 0.309 nan 8.290 nan 0.000 0.549 224 R N -1.720 117.921 120.500 -1.431 0.000 2.752 224 R HA 0.646 5.020 4.340 0.056 0.000 0.271 224 R C -0.020 175.320 176.300 -1.599 0.000 1.026 224 R CA -0.515 54.690 56.100 -1.492 0.000 0.901 224 R CB 0.715 30.573 30.300 -0.735 0.000 1.243 224 R HN 0.659 nan 8.270 nan 0.000 0.463 225 S N 0.428 115.422 115.700 -1.176 0.000 2.607 225 S HA 0.423 4.926 4.470 0.056 0.000 0.272 225 S C -0.114 174.190 174.600 -0.493 0.000 1.166 225 S CA -0.716 56.997 58.200 -0.812 0.000 1.021 225 S CB 0.429 63.485 63.200 -0.240 0.000 1.113 225 S HN 0.489 nan 8.310 nan 0.000 0.531 226 K N -0.342 119.974 120.400 -0.139 0.000 2.090 226 K HA 0.525 4.879 4.320 0.056 0.000 0.250 226 K C -0.710 175.820 176.600 -0.117 0.000 1.004 226 K CA -0.518 55.714 56.287 -0.091 0.000 0.919 226 K CB -0.037 32.543 32.500 0.132 0.000 1.045 226 K HN 0.510 nan 8.250 nan 0.000 0.471 227 F N 0.327 120.298 119.950 0.034 0.000 2.506 227 F HA 0.246 4.805 4.527 0.053 0.000 0.351 227 F C 1.702 177.558 175.800 0.093 0.000 1.136 227 F CA 1.426 59.468 58.000 0.071 0.000 1.298 227 F CB 0.591 39.604 39.000 0.021 0.000 1.145 227 F HN 0.686 nan 8.300 nan 0.000 0.593 228 G N 0.495 109.466 108.800 0.285 0.000 2.179 228 G HA2 -0.240 3.754 3.960 0.056 0.000 0.220 228 G HA3 -0.240 3.754 3.960 0.056 0.000 0.220 228 G C -0.487 174.517 174.900 0.174 0.000 0.990 228 G CA -0.446 44.770 45.100 0.194 0.000 0.646 228 G HN 0.760 nan 8.290 nan 0.000 0.517 229 C N 2.458 121.868 119.300 0.185 0.000 2.307 229 C HA 0.844 5.338 4.460 0.056 0.000 0.340 229 C C 0.805 175.900 174.990 0.174 0.000 1.275 229 C CA 0.309 59.440 59.018 0.188 0.000 1.811 229 C CB 0.378 28.240 27.740 0.203 0.000 2.372 229 C HN 0.933 nan 8.230 nan 0.000 0.531 230 S N 1.126 116.932 115.700 0.177 0.000 2.651 230 S HA 0.633 5.136 4.470 0.056 0.000 0.279 230 S C -0.876 173.832 174.600 0.179 0.000 1.148 230 S CA -0.807 57.505 58.200 0.187 0.000 0.837 230 S CB 0.710 64.025 63.200 0.191 0.000 1.138 230 S HN 0.747 nan 8.310 nan 0.000 0.478 231 E N 1.358 121.669 120.200 0.184 0.000 2.246 231 E HA -0.135 4.248 4.350 0.056 0.000 0.173 231 E C -2.394 174.284 176.600 0.130 0.000 1.532 231 E CA 0.372 56.852 56.400 0.132 0.000 0.672 231 E CB -1.149 28.591 29.700 0.067 0.000 1.078 231 E HN 0.477 nan 8.360 nan 0.000 0.338 232 P HA 0.230 nan 4.420 nan 0.000 0.278 232 P C -0.720 176.686 177.300 0.177 0.000 1.238 232 P CA -0.133 63.081 63.100 0.191 0.000 0.794 232 P CB 1.436 33.286 31.700 0.249 0.000 0.955 233 A N 2.102 125.035 122.820 0.188 0.000 2.322 233 A HA 0.784 5.138 4.320 0.056 0.000 0.327 233 A C -0.960 176.807 177.584 0.303 0.000 1.134 233 A CA -0.821 51.360 52.037 0.239 0.000 0.831 233 A CB 1.691 20.854 19.000 0.272 0.000 1.288 233 A HN 0.451 nan 8.150 nan 0.000 0.472 234 V N 0.944 121.046 119.914 0.313 0.000 3.048 234 V HA 0.736 4.890 4.120 0.056 0.000 0.303 234 V C -1.896 174.313 176.094 0.192 0.000 1.214 234 V CA -0.268 62.194 62.300 0.269 0.000 0.984 234 V CB 1.996 33.916 31.823 0.162 0.000 1.054 234 V HN 1.697 nan 8.190 nan 0.000 0.430 235 L N 2.000 123.302 121.223 0.133 0.000 2.720 235 L HA 0.770 5.143 4.340 0.056 0.000 0.261 235 L C -0.977 175.932 176.870 0.065 0.000 1.046 235 L CA -0.540 54.321 54.840 0.035 0.000 0.886 235 L CB 1.824 43.789 42.059 -0.156 0.000 1.493 235 L HN 0.720 nan 8.230 nan 0.000 0.407 236 E N 0.748 120.990 120.200 0.070 0.000 2.158 236 E HA 0.368 4.751 4.350 0.056 0.000 0.271 236 E C -2.034 174.671 176.600 0.175 0.000 0.911 236 E CA -0.698 55.753 56.400 0.085 0.000 0.767 236 E CB 1.409 31.126 29.700 0.028 0.000 1.120 236 E HN 0.655 nan 8.360 nan 0.000 0.405 237 W N 4.923 126.205 121.300 -0.031 0.000 2.839 237 W HA 0.194 4.887 4.660 0.056 0.000 0.334 237 W C -0.741 175.768 176.519 -0.017 0.000 1.064 237 W CA -0.650 56.683 57.345 -0.020 0.000 1.236 237 W CB 1.282 30.737 29.460 -0.007 0.000 1.405 237 W HN 0.713 nan 8.180 nan 0.000 0.478 238 E N 3.246 123.155 120.200 -0.485 0.000 1.906 238 E HA -0.232 4.152 4.350 0.056 0.000 0.168 238 E C 1.094 177.639 176.600 -0.091 0.000 1.352 238 E CA 1.137 57.361 56.400 -0.292 0.000 0.615 238 E CB -1.290 28.253 29.700 -0.263 0.000 1.036 238 E HN 0.904 nan 8.360 nan 0.000 0.294 239 G N 0.365 109.116 108.800 -0.082 0.000 2.189 239 G HA2 -0.384 3.610 3.960 0.056 0.000 0.267 239 G HA3 -0.384 3.610 3.960 0.056 0.000 0.267 239 G C 0.282 175.172 174.900 -0.016 0.000 0.975 239 G CA 1.027 46.100 45.100 -0.045 0.000 0.644 239 G HN 0.377 nan 8.290 nan 0.000 0.537 240 K N -0.478 119.936 120.400 0.023 0.000 2.166 240 K HA 0.767 5.121 4.320 0.056 0.000 0.245 240 K C 0.178 176.801 176.600 0.038 0.000 0.967 240 K CA -0.842 55.464 56.287 0.032 0.000 0.863 240 K CB 1.385 33.929 32.500 0.073 0.000 1.107 240 K HN 0.088 nan 8.250 nan 0.000 0.436 241 L N 3.470 124.681 121.223 -0.020 0.000 2.282 241 L HA 0.501 4.875 4.340 0.056 0.000 0.288 241 L C -0.446 176.401 176.870 -0.038 0.000 1.033 241 L CA -0.723 54.096 54.840 -0.035 0.000 0.807 241 L CB 1.086 43.072 42.059 -0.121 0.000 1.209 241 L HN 0.574 nan 8.230 nan 0.000 0.423 242 I N 4.646 125.253 120.570 0.061 0.000 2.406 242 I HA 0.456 4.660 4.170 0.056 0.000 0.290 242 I C -1.009 175.215 176.117 0.177 0.000 0.999 242 I CA -0.505 60.861 61.300 0.111 0.000 1.124 242 I CB 1.412 39.526 38.000 0.191 0.000 1.289 242 I HN 0.462 nan 8.210 nan 0.000 0.441 243 I N 7.417 128.008 120.570 0.034 0.000 2.390 243 I HA 0.356 4.560 4.170 0.056 0.000 0.283 243 I C -0.130 176.040 176.117 0.088 0.000 1.016 243 I CA -0.368 60.959 61.300 0.046 0.000 1.151 243 I CB 0.976 38.860 38.000 -0.193 0.000 1.293 243 I HN 0.513 nan 8.210 nan 0.000 0.458 244 N N 6.593 125.296 118.700 0.006 0.000 2.422 244 N HA 0.248 5.021 4.740 0.056 0.000 0.264 244 N C -0.999 174.546 175.510 0.058 0.000 1.063 244 N CA -0.057 52.912 53.050 -0.135 0.000 0.959 244 N CB 0.790 38.953 38.487 -0.539 0.000 1.087 244 N HN 0.578 nan 8.380 nan 0.000 0.483 245 N N 2.065 120.841 118.700 0.127 0.000 2.417 245 N HA 0.205 4.979 4.740 0.056 0.000 0.300 245 N C -0.143 175.467 175.510 0.167 0.000 1.102 245 N CA -0.571 52.590 53.050 0.185 0.000 0.886 245 N CB 2.169 40.819 38.487 0.271 0.000 1.203 245 N HN 0.466 nan 8.380 nan 0.000 0.496 246 R N 0.801 121.397 120.500 0.160 0.000 2.390 246 R HA 0.331 4.705 4.340 0.056 0.000 0.291 246 R C -1.269 175.130 176.300 0.165 0.000 1.070 246 R CA -0.195 55.998 56.100 0.156 0.000 1.014 246 R CB 0.515 30.884 30.300 0.115 0.000 1.007 246 R HN 0.274 nan 8.270 nan 0.000 0.466 247 V N 4.932 124.943 119.914 0.162 0.000 2.445 247 V HA 0.145 4.299 4.120 0.056 0.000 0.283 247 V C -0.982 175.188 176.094 0.127 0.000 1.014 247 V CA -0.969 61.417 62.300 0.144 0.000 0.852 247 V CB 1.448 33.351 31.823 0.133 0.000 1.021 247 V HN 0.865 nan 8.190 nan 0.000 0.435 248 D N 3.793 124.267 120.400 0.123 0.000 2.450 248 D HA 0.370 5.044 4.640 0.056 0.000 0.247 248 D C 1.309 177.663 176.300 0.090 0.000 1.162 248 D CA 1.749 55.817 54.000 0.112 0.000 0.879 248 D CB 1.486 42.350 40.800 0.106 0.000 1.163 248 D HN 0.960 nan 8.370 nan 0.000 0.472 249 G N 2.550 111.399 108.800 0.081 0.000 2.179 249 G HA2 -0.307 3.687 3.960 0.056 0.000 0.260 249 G HA3 -0.307 3.687 3.960 0.056 0.000 0.260 249 G C 0.552 175.474 174.900 0.037 0.000 0.977 249 G CA 0.436 45.571 45.100 0.058 0.000 0.641 249 G HN 0.605 nan 8.290 nan 0.000 0.533 250 N N -1.671 117.050 118.700 0.034 0.000 3.387 250 N HA 0.630 5.404 4.740 0.056 0.000 0.322 250 N C 0.099 175.574 175.510 -0.058 0.000 1.588 250 N CA -1.089 51.953 53.050 -0.014 0.000 0.778 250 N CB 0.918 39.406 38.487 0.001 0.000 1.883 250 N HN 0.187 nan 8.380 nan 0.000 0.628 251 R N 0.666 121.047 120.500 -0.199 0.000 2.577 251 R HA 0.375 4.749 4.340 0.056 0.000 0.269 251 R C -0.355 175.882 176.300 -0.105 0.000 1.084 251 R CA -0.283 55.649 56.100 -0.280 0.000 1.163 251 R CB 0.540 30.448 30.300 -0.654 0.000 1.100 251 R HN 0.413 nan 8.270 nan 0.000 0.547 252 R N 1.164 121.654 120.500 -0.018 0.000 2.390 252 R HA 0.245 4.618 4.340 0.056 0.000 0.291 252 R C -0.228 176.157 176.300 0.142 0.000 1.070 252 R CA -0.352 55.801 56.100 0.088 0.000 1.014 252 R CB 0.530 30.892 30.300 0.104 0.000 1.007 252 R HN 0.292 nan 8.270 nan 0.000 0.466 253 L N 3.718 125.020 121.223 0.132 0.000 2.292 253 L HA 0.408 4.782 4.340 0.056 0.000 0.284 253 L C -0.536 176.281 176.870 -0.089 0.000 1.065 253 L CA -0.761 54.093 54.840 0.022 0.000 0.806 253 L CB 1.625 43.742 42.059 0.097 0.000 1.175 253 L HN 0.368 nan 8.230 nan 0.000 0.431 254 V N 3.545 123.280 119.914 -0.299 0.000 2.588 254 V HA 0.449 4.603 4.120 0.056 0.000 0.304 254 V C -1.018 174.833 176.094 -0.405 0.000 1.042 254 V CA -0.787 61.370 62.300 -0.240 0.000 0.877 254 V CB 1.760 33.470 31.823 -0.188 0.000 0.996 254 V HN 0.440 nan 8.190 nan 0.000 0.425 255 Y N 1.373 121.668 120.300 -0.010 0.000 2.485 255 Y HA 0.636 5.221 4.550 0.058 0.000 0.345 255 Y C 0.285 176.101 175.900 -0.139 0.000 0.998 255 Y CA -0.768 57.321 58.100 -0.020 0.000 1.059 255 Y CB 2.049 40.594 38.460 0.141 0.000 1.234 255 Y HN 0.592 nan 8.280 nan 0.000 0.461 256 E N 0.793 121.016 120.200 0.038 0.000 2.227 256 E HA 0.640 5.024 4.350 0.056 0.000 0.268 256 E C -1.194 175.350 176.600 -0.092 0.000 0.907 256 E CA -0.906 55.468 56.400 -0.043 0.000 0.786 256 E CB 2.215 31.913 29.700 -0.003 0.000 1.191 256 E HN 0.438 nan 8.360 nan 0.000 0.411 257 S N 0.498 116.109 115.700 -0.149 0.000 2.546 257 S HA 0.291 4.795 4.470 0.056 0.000 0.272 257 S C -0.485 174.062 174.600 -0.088 0.000 1.140 257 S CA -0.618 57.493 58.200 -0.148 0.000 0.920 257 S CB 1.436 64.427 63.200 -0.348 0.000 1.083 257 S HN 0.352 nan 8.310 nan 0.000 0.476 258 S N 2.077 117.752 115.700 -0.042 0.000 2.539 258 S HA 0.163 4.667 4.470 0.056 0.000 0.221 258 S C -0.294 174.283 174.600 -0.038 0.000 0.987 258 S CA -0.191 57.992 58.200 -0.030 0.000 0.929 258 S CB -0.063 63.134 63.200 -0.006 0.000 0.832 258 S HN 0.850 nan 8.310 nan 0.000 0.492 259 D N 0.475 120.849 120.400 -0.043 0.000 2.980 259 D HA 0.408 5.082 4.640 0.056 0.000 0.333 259 D C 0.295 176.535 176.300 -0.101 0.000 1.356 259 D CA -0.756 53.216 54.000 -0.047 0.000 0.847 259 D CB -0.102 40.695 40.800 -0.006 0.000 1.122 259 D HN 0.006 nan 8.370 nan 0.000 0.475 260 M N 1.009 120.515 119.600 -0.156 0.000 2.302 260 M HA -0.182 4.332 4.480 0.056 0.000 0.200 260 M C 1.023 177.191 176.300 -0.221 0.000 0.366 260 M CA 1.251 56.383 55.300 -0.280 0.000 0.440 260 M CB -1.494 30.818 32.600 -0.479 0.000 1.475 260 M HN 0.889 nan 8.290 nan 0.000 0.905 261 G N -0.492 108.250 108.800 -0.096 0.000 2.176 261 G HA2 -0.406 3.588 3.960 0.056 0.000 0.253 261 G HA3 -0.406 3.588 3.960 0.056 0.000 0.253 261 G C 0.548 175.614 174.900 0.277 0.000 0.979 261 G CA 0.823 45.990 45.100 0.111 0.000 0.641 261 G HN 0.755 nan 8.290 nan 0.000 0.530 262 K N 0.728 121.209 120.400 0.135 0.000 2.063 262 K HA -0.004 4.350 4.320 0.056 0.000 0.208 262 K C 1.223 177.924 176.600 0.167 0.000 1.048 262 K CA 1.917 58.286 56.287 0.136 0.000 0.928 262 K CB -0.162 32.388 32.500 0.083 0.000 0.713 262 K HN 0.740 nan 8.250 nan 0.000 0.442 263 T N -1.795 112.878 114.554 0.200 0.000 2.881 263 T HA 0.407 4.791 4.350 0.056 0.000 0.290 263 T C -1.258 173.650 174.700 0.347 0.000 1.000 263 T CA -0.944 61.289 62.100 0.221 0.000 0.978 263 T CB 0.793 69.733 68.868 0.120 0.000 0.997 263 T HN 0.097 nan 8.240 nan 0.000 0.443 264 W N 2.220 123.507 121.300 -0.021 0.000 2.520 264 W HA 0.662 5.357 4.660 0.058 0.000 0.323 264 W C -0.806 175.762 176.519 0.082 0.000 1.062 264 W CA -1.182 56.169 57.345 0.009 0.000 1.215 264 W CB 1.550 30.939 29.460 -0.118 0.000 1.340 264 W HN 0.567 nan 8.180 nan 0.000 0.516 265 V N 2.417 122.506 119.914 0.292 0.000 2.513 265 V HA 0.218 4.372 4.120 0.056 0.000 0.299 265 V C -0.024 176.201 176.094 0.218 0.000 1.035 265 V CA -1.401 61.025 62.300 0.210 0.000 0.889 265 V CB 1.615 33.491 31.823 0.089 0.000 0.988 265 V HN 0.495 nan 8.190 nan 0.000 0.440 266 E N 3.425 123.690 120.200 0.108 0.000 2.324 266 E HA 0.333 4.717 4.350 0.056 0.000 0.271 266 E C 0.624 177.069 176.600 -0.259 0.000 1.028 266 E CA -0.339 55.931 56.400 -0.216 0.000 0.890 266 E CB 1.128 30.608 29.700 -0.367 0.000 1.004 266 E HN 0.878 nan 8.360 nan 0.000 0.431 267 A N 6.536 129.192 122.820 -0.273 0.000 2.863 267 A HA 0.007 4.361 4.320 0.056 0.000 0.246 267 A C 1.125 178.532 177.584 -0.295 0.000 1.772 267 A CA 0.048 51.946 52.037 -0.233 0.000 1.456 267 A CB -0.733 18.158 19.000 -0.181 0.000 0.930 267 A HN 0.817 nan 8.150 nan 0.000 0.630 268 L N -0.855 120.103 121.223 -0.441 0.000 2.456 268 L HA -0.089 4.284 4.340 0.056 0.000 0.224 268 L C 2.108 178.796 176.870 -0.304 0.000 1.148 268 L CA 1.047 55.574 54.840 -0.520 0.000 0.825 268 L CB -0.186 41.279 42.059 -0.991 0.000 0.937 268 L HN 0.629 nan 8.230 nan 0.000 0.450 269 G N -1.346 107.353 108.800 -0.167 0.000 3.337 269 G HA2 0.160 4.154 3.960 0.056 0.000 0.246 269 G HA3 0.160 4.154 3.960 0.056 0.000 0.246 269 G C 0.939 175.822 174.900 -0.029 0.000 1.131 269 G CA 0.752 45.909 45.100 0.095 0.000 0.773 269 G HN 0.398 nan 8.290 nan 0.000 0.544 270 T N -2.205 112.299 114.554 -0.084 0.000 3.517 270 T HA 0.189 4.573 4.350 0.056 0.000 0.190 270 T C 1.673 176.274 174.700 -0.166 0.000 0.906 270 T CA -0.121 61.898 62.100 -0.134 0.000 1.009 270 T CB 0.129 68.904 68.868 -0.154 0.000 1.158 270 T HN -0.028 nan 8.240 nan 0.000 0.312 271 L N 0.833 121.940 121.223 -0.193 0.000 2.642 271 L HA 0.436 4.810 4.340 0.056 0.000 0.233 271 L C 1.140 177.850 176.870 -0.267 0.000 1.077 271 L CA -0.189 54.496 54.840 -0.259 0.000 0.879 271 L CB 0.361 42.330 42.059 -0.150 0.000 1.151 271 L HN 0.256 nan 8.230 nan 0.000 0.495 272 S N -0.246 115.315 115.700 -0.231 0.000 2.558 272 S HA -0.016 4.488 4.470 0.056 0.000 0.288 272 S C 0.951 175.475 174.600 -0.126 0.000 1.318 272 S CA 0.378 58.443 58.200 -0.226 0.000 1.056 272 S CB -0.252 62.742 63.200 -0.345 0.000 0.853 272 S HN 0.528 nan 8.310 nan 0.000 0.505 273 H N 0.086 119.026 119.070 -0.217 0.000 3.612 273 H HA -0.187 4.403 4.556 0.056 0.000 0.212 273 H C 1.063 176.228 175.328 -0.272 0.000 1.041 273 H CA 0.701 56.631 56.048 -0.197 0.000 1.205 273 H CB -1.588 28.076 29.762 -0.163 0.000 1.159 273 H HN 0.413 nan 8.280 nan 0.000 0.323 274 V N -0.372 119.352 119.914 -0.317 0.000 2.379 274 V HA -0.154 4.000 4.120 0.056 0.000 0.245 274 V C 1.399 177.109 176.094 -0.641 0.000 1.044 274 V CA 1.570 63.509 62.300 -0.603 0.000 1.036 274 V CB -0.084 31.102 31.823 -1.063 0.000 0.664 274 V HN 0.289 nan 8.190 nan 0.000 0.453 275 W N -0.800 120.266 121.300 -0.389 0.000 2.509 275 W HA 0.639 5.333 4.660 0.056 0.000 0.351 275 W C 0.304 176.635 176.519 -0.313 0.000 1.107 275 W CA -0.077 57.005 57.345 -0.438 0.000 1.264 275 W CB 1.246 30.352 29.460 -0.590 0.000 1.312 275 W HN -0.035 nan 8.180 nan 0.000 0.608 276 T N -0.377 114.124 114.554 -0.088 0.000 2.665 276 T HA 0.118 4.501 4.350 0.056 0.000 0.303 276 T C 0.616 175.208 174.700 -0.180 0.000 1.334 276 T CA -0.491 61.540 62.100 -0.114 0.000 1.011 276 T CB 0.747 69.547 68.868 -0.112 0.000 1.573 276 T HN 0.547 nan 8.240 nan 0.000 0.492 277 N N 0.069 118.753 118.700 -0.026 0.000 2.282 277 N HA 0.183 4.957 4.740 0.056 0.000 0.185 277 N C 0.019 175.584 175.510 0.091 0.000 1.099 277 N CA 0.010 53.117 53.050 0.096 0.000 0.878 277 N CB 0.451 39.026 38.487 0.147 0.000 0.993 277 N HN 0.631 nan 8.380 nan 0.000 0.481 278 S N -1.353 114.368 115.700 0.035 0.000 2.622 278 S HA 0.253 4.757 4.470 0.056 0.000 0.275 278 S C -2.720 171.883 174.600 0.005 0.000 1.112 278 S CA -0.883 57.337 58.200 0.035 0.000 0.837 278 S CB 1.838 65.064 63.200 0.042 0.000 1.082 278 S HN -0.286 nan 8.310 nan 0.000 0.456 279 P HA -0.191 nan 4.420 nan 0.000 0.217 279 P C 1.563 178.850 177.300 -0.021 0.000 1.158 279 P CA 2.857 65.950 63.100 -0.012 0.000 0.887 279 P CB -0.635 31.061 31.700 -0.007 0.000 0.792 280 T N -4.988 109.559 114.554 -0.012 0.000 3.129 280 T HA 0.142 4.526 4.350 0.056 0.000 0.251 280 T C 1.149 175.839 174.700 -0.017 0.000 1.117 280 T CA 0.665 62.756 62.100 -0.015 0.000 1.034 280 T CB -0.978 67.887 68.868 -0.005 0.000 0.968 280 T HN 0.255 nan 8.240 nan 0.000 0.526 281 S N 2.254 117.944 115.700 -0.016 0.000 3.257 281 S HA -0.288 4.215 4.470 0.056 0.000 0.300 281 S C 0.645 175.243 174.600 -0.003 0.000 1.275 281 S CA 1.376 59.562 58.200 -0.022 0.000 1.023 281 S CB -2.561 60.601 63.200 -0.064 0.000 1.180 281 S HN 0.940 nan 8.310 nan 0.000 0.660 282 N N 0.786 119.494 118.700 0.013 0.000 2.321 282 N HA 0.236 5.010 4.740 0.056 0.000 0.242 282 N C 0.051 175.591 175.510 0.049 0.000 1.141 282 N CA -0.481 52.585 53.050 0.027 0.000 0.864 282 N CB 0.165 38.664 38.487 0.020 0.000 1.100 282 N HN 0.555 nan 8.380 nan 0.000 0.510 283 Q N 0.181 120.020 119.800 0.065 0.000 2.286 283 Q HA 0.195 4.569 4.340 0.056 0.000 0.250 283 Q C 0.103 176.176 176.000 0.121 0.000 1.021 283 Q CA -0.625 55.234 55.803 0.092 0.000 0.930 283 Q CB 1.286 30.079 28.738 0.092 0.000 1.266 283 Q HN 0.535 nan 8.270 nan 0.000 0.491 284 Q N 0.743 120.636 119.800 0.155 0.000 2.373 284 Q HA 0.135 4.509 4.340 0.056 0.000 0.255 284 Q C -0.764 175.351 176.000 0.192 0.000 0.980 284 Q CA -0.101 55.804 55.803 0.171 0.000 0.882 284 Q CB 0.904 29.762 28.738 0.199 0.000 1.249 284 Q HN 0.417 nan 8.270 nan 0.000 0.438 285 D N 0.943 121.456 120.400 0.190 0.000 2.511 285 D HA 0.453 5.127 4.640 0.056 0.000 0.276 285 D C -1.246 175.180 176.300 0.210 0.000 1.220 285 D CA -0.691 53.442 54.000 0.221 0.000 1.077 285 D CB 1.638 42.564 40.800 0.210 0.000 1.126 285 D HN 0.689 nan 8.370 nan 0.000 0.583 286 C N 0.869 120.254 119.300 0.142 0.000 3.082 286 C HA 0.341 4.835 4.460 0.056 0.000 0.324 286 C C -0.526 174.291 174.990 -0.289 0.000 1.210 286 C CA -0.715 58.313 59.018 0.017 0.000 1.366 286 C CB 1.231 28.989 27.740 0.029 0.000 1.756 286 C HN 0.602 nan 8.230 nan 0.000 0.485 287 Q N 2.885 122.318 119.800 -0.611 0.000 2.414 287 Q HA 0.346 4.720 4.340 0.056 0.000 0.288 287 Q C -0.491 175.167 176.000 -0.570 0.000 1.086 287 Q CA 1.172 56.485 55.803 -0.816 0.000 0.943 287 Q CB 0.925 28.564 28.738 -1.832 0.000 1.282 287 Q HN 0.890 nan 8.270 nan 0.000 0.438 288 S N 1.148 116.619 115.700 -0.382 0.000 2.632 288 S HA 0.543 5.046 4.470 0.056 0.000 0.289 288 S C -1.194 173.286 174.600 -0.200 0.000 1.115 288 S CA -0.672 57.290 58.200 -0.396 0.000 0.889 288 S CB 1.793 64.691 63.200 -0.503 0.000 1.116 288 S HN 0.706 nan 8.310 nan 0.000 0.486 289 S N 0.970 116.560 115.700 -0.183 0.000 2.509 289 S HA 0.799 5.303 4.470 0.056 0.000 0.297 289 S C -1.209 173.493 174.600 0.169 0.000 1.118 289 S CA -0.609 57.610 58.200 0.032 0.000 1.074 289 S CB 0.862 64.101 63.200 0.065 0.000 1.038 289 S HN 0.539 nan 8.310 nan 0.000 0.498 290 F N 2.449 122.454 119.950 0.090 0.000 2.659 290 F HA 0.630 5.191 4.527 0.056 0.000 0.342 290 F C -1.485 174.409 175.800 0.157 0.000 1.168 290 F CA -1.165 56.942 58.000 0.178 0.000 1.003 290 F CB 1.267 40.403 39.000 0.227 0.000 1.267 290 F HN 0.517 nan 8.300 nan 0.000 0.463 291 V N 5.357 125.277 119.914 0.011 0.000 2.577 291 V HA 0.693 4.847 4.120 0.056 0.000 0.303 291 V C -0.187 175.891 176.094 -0.027 0.000 1.042 291 V CA -0.917 61.384 62.300 0.001 0.000 0.872 291 V CB 1.659 33.549 31.823 0.112 0.000 0.998 291 V HN 0.928 nan 8.190 nan 0.000 0.423 292 A N 5.198 128.010 122.820 -0.013 0.000 2.396 292 A HA 0.669 5.023 4.320 0.056 0.000 0.279 292 A C -0.076 177.583 177.584 0.125 0.000 1.165 292 A CA 0.026 52.114 52.037 0.085 0.000 0.824 292 A CB 0.369 19.436 19.000 0.111 0.000 1.100 292 A HN 1.448 nan 8.150 nan 0.000 0.516 293 V N 0.620 120.622 119.914 0.148 0.000 3.155 293 V HA 0.895 5.048 4.120 0.056 0.000 0.313 293 V C -0.228 175.954 176.094 0.146 0.000 1.162 293 V CA -0.555 61.843 62.300 0.163 0.000 1.048 293 V CB 1.864 33.768 31.823 0.135 0.000 1.092 293 V HN 0.643 nan 8.190 nan 0.000 0.447 294 T N 2.966 117.622 114.554 0.169 0.000 2.786 294 T HA 0.720 5.104 4.350 0.056 0.000 0.283 294 T C -0.610 174.165 174.700 0.126 0.000 0.992 294 T CA 0.084 62.266 62.100 0.136 0.000 0.954 294 T CB 0.696 69.640 68.868 0.127 0.000 0.934 294 T HN 0.644 nan 8.240 nan 0.000 0.440 295 I N 2.496 123.100 120.570 0.057 0.000 2.436 295 I HA 0.315 4.519 4.170 0.056 0.000 0.289 295 I C 0.364 176.503 176.117 0.037 0.000 1.010 295 I CA -0.596 60.708 61.300 0.007 0.000 1.098 295 I CB 1.819 39.746 38.000 -0.123 0.000 1.266 295 I HN 0.679 nan 8.210 nan 0.000 0.434 296 E N 4.905 125.138 120.200 0.056 0.000 2.228 296 E HA -0.252 4.132 4.350 0.056 0.000 0.213 296 E C 0.910 177.540 176.600 0.051 0.000 1.282 296 E CA 1.036 57.462 56.400 0.042 0.000 0.707 296 E CB -1.058 28.645 29.700 0.005 0.000 1.150 296 E HN 1.093 nan 8.360 nan 0.000 0.362 297 G N -0.142 108.696 108.800 0.064 0.000 2.234 297 G HA2 -0.401 3.593 3.960 0.056 0.000 0.260 297 G HA3 -0.401 3.593 3.960 0.056 0.000 0.260 297 G C 0.259 175.200 174.900 0.068 0.000 0.987 297 G CA 0.587 45.723 45.100 0.060 0.000 0.625 297 G HN 0.500 nan 8.290 nan 0.000 0.532 298 K N 0.278 120.729 120.400 0.084 0.000 2.324 298 K HA 0.598 4.952 4.320 0.056 0.000 0.253 298 K C -0.169 176.510 176.600 0.132 0.000 0.932 298 K CA -1.143 55.212 56.287 0.114 0.000 0.799 298 K CB 0.755 33.351 32.500 0.160 0.000 1.154 298 K HN -0.018 nan 8.250 nan 0.000 0.425 299 R N 2.851 123.424 120.500 0.123 0.000 2.316 299 R HA 0.176 4.550 4.340 0.056 0.000 0.314 299 R C -0.356 176.172 176.300 0.380 0.000 1.069 299 R CA -0.183 56.005 56.100 0.146 0.000 0.959 299 R CB 0.241 30.492 30.300 -0.081 0.000 0.987 299 R HN 0.547 nan 8.270 nan 0.000 0.446 300 V N 0.934 121.084 119.914 0.393 0.000 3.155 300 V HA 0.666 4.820 4.120 0.056 0.000 0.313 300 V C -0.009 176.305 176.094 0.367 0.000 1.162 300 V CA -1.187 61.382 62.300 0.447 0.000 1.048 300 V CB 2.418 34.449 31.823 0.346 0.000 1.092 300 V HN 0.574 nan 8.190 nan 0.000 0.447 301 M N 1.684 121.393 119.600 0.181 0.000 2.537 301 M HA 0.633 5.147 4.480 0.056 0.000 0.324 301 M C -1.108 175.288 176.300 0.160 0.000 1.187 301 M CA -0.496 54.840 55.300 0.058 0.000 0.993 301 M CB 1.960 34.461 32.600 -0.166 0.000 1.666 301 M HN 0.508 nan 8.290 nan 0.000 0.461 302 L N 1.941 123.250 121.223 0.144 0.000 2.362 302 L HA 0.623 4.997 4.340 0.056 0.000 0.275 302 L C -1.500 175.579 176.870 0.348 0.000 0.998 302 L CA -0.536 54.446 54.840 0.238 0.000 0.820 302 L CB 1.800 43.957 42.059 0.163 0.000 1.270 302 L HN 0.616 nan 8.230 nan 0.000 0.415 303 F N 2.480 122.564 119.950 0.223 0.000 2.539 303 F HA 0.571 5.131 4.527 0.056 0.000 0.318 303 F C -0.108 175.802 175.800 0.182 0.000 1.135 303 F CA -0.324 57.761 58.000 0.142 0.000 0.915 303 F CB 1.969 40.846 39.000 -0.206 0.000 1.176 303 F HN 0.451 nan 8.300 nan 0.000 0.440 304 T N 2.118 116.348 114.554 -0.540 0.000 2.829 304 T HA 0.596 4.980 4.350 0.056 0.000 0.280 304 T C -1.384 172.948 174.700 -0.615 0.000 0.999 304 T CA -0.502 61.381 62.100 -0.362 0.000 0.983 304 T CB 1.408 70.179 68.868 -0.160 0.000 0.968 304 T HN 0.927 nan 8.240 nan 0.000 0.446 305 H N 1.946 120.884 119.070 -0.219 0.000 3.140 305 H HA 0.426 5.016 4.556 0.056 0.000 0.336 305 H C -3.055 172.372 175.328 0.164 0.000 1.142 305 H CA -1.459 54.546 56.048 -0.071 0.000 1.308 305 H CB 2.284 32.031 29.762 -0.024 0.000 1.970 305 H HN 0.541 nan 8.280 nan 0.000 0.521 306 P HA 0.085 nan 4.420 nan 0.000 0.276 306 P C 0.485 178.015 177.300 0.384 0.000 1.244 306 P CA -0.355 62.937 63.100 0.319 0.000 0.801 306 P CB 1.654 33.481 31.700 0.211 0.000 1.006 307 L N 0.359 121.728 121.223 0.242 0.000 2.240 307 L HA -0.041 4.333 4.340 0.056 0.000 0.211 307 L C 0.830 177.779 176.870 0.131 0.000 1.106 307 L CA 0.817 55.754 54.840 0.161 0.000 0.793 307 L CB -0.863 41.247 42.059 0.086 0.000 0.927 307 L HN 0.481 nan 8.230 nan 0.000 0.446 308 N N -0.211 118.568 118.700 0.132 0.000 2.754 308 N HA -0.217 4.557 4.740 0.056 0.000 0.248 308 N C 0.782 176.322 175.510 0.051 0.000 1.093 308 N CA 0.309 53.417 53.050 0.097 0.000 0.699 308 N CB -1.267 37.299 38.487 0.133 0.000 1.016 308 N HN 0.243 nan 8.380 nan 0.000 0.552 309 L N -0.373 120.874 121.223 0.040 0.000 2.129 309 L HA -0.221 4.153 4.340 0.056 0.000 0.212 309 L C 2.087 178.957 176.870 -0.001 0.000 1.087 309 L CA 1.564 56.415 54.840 0.019 0.000 0.757 309 L CB -0.288 41.782 42.059 0.018 0.000 0.896 309 L HN 0.362 nan 8.230 nan 0.000 0.434 310 K N -0.418 119.974 120.400 -0.014 0.000 2.167 310 K HA 0.132 4.486 4.320 0.056 0.000 0.203 310 K C 0.944 177.507 176.600 -0.062 0.000 1.052 310 K CA 0.538 56.796 56.287 -0.049 0.000 0.956 310 K CB 0.053 32.505 32.500 -0.079 0.000 0.735 310 K HN 0.390 nan 8.250 nan 0.000 0.451 311 G N 0.881 109.657 108.800 -0.040 0.000 2.661 311 G HA2 -0.216 3.778 3.960 0.056 0.000 0.685 311 G HA3 -0.216 3.778 3.960 0.056 0.000 0.685 311 G C -0.487 174.381 174.900 -0.054 0.000 1.298 311 G CA -0.395 44.692 45.100 -0.022 0.000 0.855 311 G HN 0.251 nan 8.290 nan 0.000 0.560 312 R N -2.037 118.481 120.500 0.030 0.000 3.923 312 R HA -0.315 4.059 4.340 0.056 0.000 0.400 312 R C 1.615 178.031 176.300 0.192 0.000 0.241 312 R CA 2.980 59.150 56.100 0.118 0.000 1.284 312 R CB -1.544 28.780 30.300 0.039 0.000 1.006 312 R HN 1.719 nan 8.270 nan 0.000 0.559 313 W N 0.263 121.626 121.300 0.105 0.000 3.239 313 W HA 0.346 5.041 4.660 0.058 0.000 0.348 313 W C 1.365 177.961 176.519 0.128 0.000 1.183 313 W CA -0.495 56.927 57.345 0.129 0.000 1.819 313 W CB 0.157 29.700 29.460 0.138 0.000 1.091 313 W HN 0.217 nan 8.180 nan 0.000 0.629 314 M N 1.730 121.121 119.600 -0.348 0.000 2.080 314 M HA -0.065 4.449 4.480 0.056 0.000 0.260 314 M C 1.030 177.323 176.300 -0.012 0.000 1.068 314 M CA 1.303 56.443 55.300 -0.268 0.000 1.109 314 M CB -1.775 30.660 32.600 -0.276 0.000 1.342 314 M HN 0.228 nan 8.290 nan 0.000 0.405 315 R N 2.340 122.870 120.500 0.051 0.000 3.209 315 R HA -0.118 4.256 4.340 0.056 0.000 0.252 315 R C -0.678 175.681 176.300 0.098 0.000 0.958 315 R CA 0.624 56.798 56.100 0.124 0.000 0.651 315 R CB -1.950 28.466 30.300 0.194 0.000 1.142 315 R HN 0.630 nan 8.270 nan 0.000 0.441 316 D N 1.233 121.671 120.400 0.064 0.000 2.358 316 D HA 0.186 4.859 4.640 0.056 0.000 0.244 316 D C -0.037 176.315 176.300 0.087 0.000 1.163 316 D CA -0.642 53.392 54.000 0.058 0.000 0.945 316 D CB 0.496 41.313 40.800 0.028 0.000 1.152 316 D HN 0.284 nan 8.370 nan 0.000 0.451 317 R N -0.962 119.584 120.500 0.076 0.000 2.877 317 R HA -0.210 4.164 4.340 0.056 0.000 0.275 317 R C -0.463 175.919 176.300 0.137 0.000 0.924 317 R CA -0.279 55.882 56.100 0.102 0.000 0.715 317 R CB -2.037 28.348 30.300 0.142 0.000 1.761 317 R HN 0.387 nan 8.270 nan 0.000 0.498 318 L N 2.936 124.173 121.223 0.024 0.000 2.453 318 L HA 0.174 4.547 4.340 0.056 0.000 0.272 318 L C 0.547 177.385 176.870 -0.054 0.000 1.182 318 L CA 0.538 55.368 54.840 -0.017 0.000 0.858 318 L CB 0.370 42.307 42.059 -0.203 0.000 1.120 318 L HN 0.340 nan 8.230 nan 0.000 0.474 319 H N 3.802 122.773 119.070 -0.166 0.000 2.737 319 H HA 0.559 5.149 4.556 0.056 0.000 0.358 319 H C -1.324 173.737 175.328 -0.446 0.000 1.187 319 H CA -0.917 54.870 56.048 -0.435 0.000 1.221 319 H CB 2.274 31.535 29.762 -0.835 0.000 1.799 319 H HN 0.522 nan 8.280 nan 0.000 0.568 320 L N 1.548 122.470 121.223 -0.503 0.000 2.385 320 L HA 0.347 4.721 4.340 0.056 0.000 0.273 320 L C -1.732 175.008 176.870 -0.216 0.000 0.990 320 L CA -0.415 54.268 54.840 -0.263 0.000 0.821 320 L CB 1.415 43.293 42.059 -0.302 0.000 1.279 320 L HN 0.484 nan 8.230 nan 0.000 0.412 321 W N 6.381 127.802 121.300 0.203 0.000 2.844 321 W HA 0.553 5.247 4.660 0.056 0.000 0.340 321 W C -0.691 176.036 176.519 0.347 0.000 1.093 321 W CA -0.798 56.751 57.345 0.342 0.000 1.212 321 W CB 2.252 32.029 29.460 0.529 0.000 1.422 321 W HN 0.457 nan 8.180 nan 0.000 0.515 322 M N 3.191 123.184 119.600 0.655 0.000 2.326 322 M HA 0.544 5.058 4.480 0.056 0.000 0.306 322 M C -1.352 175.316 176.300 0.614 0.000 1.054 322 M CA 0.121 55.734 55.300 0.523 0.000 0.922 322 M CB 2.427 35.251 32.600 0.372 0.000 1.632 322 M HN 0.347 nan 8.290 nan 0.000 0.436 323 T N 1.401 116.239 114.554 0.473 0.000 2.916 323 T HA 0.425 4.809 4.350 0.056 0.000 0.305 323 T C -0.974 173.812 174.700 0.143 0.000 1.119 323 T CA -0.531 61.766 62.100 0.328 0.000 1.008 323 T CB 1.352 70.369 68.868 0.248 0.000 1.129 323 T HN 0.819 nan 8.240 nan 0.000 0.480 324 D N 2.666 123.068 120.400 0.004 0.000 2.559 324 D HA 0.206 4.879 4.640 0.056 0.000 0.234 324 D C 0.780 176.969 176.300 -0.185 0.000 1.226 324 D CA -0.368 53.644 54.000 0.021 0.000 0.830 324 D CB -0.744 40.123 40.800 0.112 0.000 1.028 324 D HN 0.789 nan 8.370 nan 0.000 0.492 325 N N -0.231 118.259 118.700 -0.350 0.000 2.863 325 N HA -0.274 4.500 4.740 0.056 0.000 0.245 325 N C 0.414 175.768 175.510 -0.261 0.000 1.001 325 N CA 1.292 54.114 53.050 -0.379 0.000 0.901 325 N CB -0.262 37.893 38.487 -0.553 0.000 1.124 325 N HN 0.458 nan 8.380 nan 0.000 0.582 326 Q N -0.671 118.966 119.800 -0.272 0.000 2.546 326 Q HA 0.205 4.579 4.340 0.056 0.000 0.203 326 Q C 0.079 175.872 176.000 -0.344 0.000 0.740 326 Q CA -0.053 55.551 55.803 -0.330 0.000 0.879 326 Q CB 0.438 28.968 28.738 -0.347 0.000 1.265 326 Q HN 0.126 nan 8.270 nan 0.000 0.585 327 R N 0.761 120.987 120.500 -0.458 0.000 2.573 327 R HA 0.555 4.929 4.340 0.056 0.000 0.272 327 R C -0.608 175.643 176.300 -0.083 0.000 1.009 327 R CA -0.071 55.824 56.100 -0.342 0.000 1.059 327 R CB 1.122 30.985 30.300 -0.729 0.000 1.112 327 R HN 0.087 nan 8.270 nan 0.000 0.517 328 I N 1.990 122.649 120.570 0.148 0.000 2.476 328 I HA 0.266 4.470 4.170 0.056 0.000 0.281 328 I C -1.112 175.319 176.117 0.523 0.000 1.040 328 I CA -0.504 60.981 61.300 0.309 0.000 1.094 328 I CB 1.174 39.244 38.000 0.115 0.000 1.219 328 I HN 0.417 nan 8.210 nan 0.000 0.450 329 F N 5.684 125.964 119.950 0.551 0.000 2.408 329 F HA 0.407 4.968 4.527 0.056 0.000 0.344 329 F C 0.151 176.221 175.800 0.451 0.000 1.112 329 F CA -0.325 57.959 58.000 0.472 0.000 1.096 329 F CB 1.008 40.254 39.000 0.409 0.000 1.129 329 F HN 0.372 nan 8.300 nan 0.000 0.486 330 D N 5.185 125.379 120.400 -0.344 0.000 2.380 330 D HA 0.192 4.866 4.640 0.056 0.000 0.230 330 D C 0.711 176.520 176.300 -0.819 0.000 1.154 330 D CA -0.135 53.575 54.000 -0.482 0.000 0.859 330 D CB 1.438 42.075 40.800 -0.272 0.000 1.045 330 D HN 0.378 nan 8.370 nan 0.000 0.495 331 V N 3.274 122.982 119.914 -0.343 0.000 2.379 331 V HA 0.259 4.413 4.120 0.056 0.000 0.245 331 V C 1.512 177.483 176.094 -0.205 0.000 1.044 331 V CA 1.483 63.755 62.300 -0.046 0.000 1.036 331 V CB -1.085 30.717 31.823 -0.034 0.000 0.664 331 V HN 0.851 nan 8.190 nan 0.000 0.453 332 G N -0.991 107.585 108.800 -0.373 0.000 2.340 332 G HA2 0.067 4.060 3.960 0.056 0.000 0.282 332 G HA3 0.067 4.060 3.960 0.056 0.000 0.282 332 G C -1.467 172.852 174.900 -0.968 0.000 1.312 332 G CA -0.805 44.012 45.100 -0.472 0.000 0.942 332 G HN 0.188 nan 8.290 nan 0.000 0.495 333 Q N 0.602 119.891 119.800 -0.851 0.000 2.296 333 Q HA 0.432 4.806 4.340 0.056 0.000 0.257 333 Q C 1.470 177.251 176.000 -0.364 0.000 0.942 333 Q CA -0.358 54.985 55.803 -0.767 0.000 0.939 333 Q CB 1.890 30.373 28.738 -0.424 0.000 1.198 333 Q HN 0.732 nan 8.270 nan 0.000 0.429 334 I N -1.099 119.299 120.570 -0.287 0.000 3.251 334 I HA 0.002 4.206 4.170 0.056 0.000 0.277 334 I C 0.635 176.779 176.117 0.045 0.000 1.268 334 I CA 0.080 61.352 61.300 -0.046 0.000 1.449 334 I CB 0.157 38.208 38.000 0.085 0.000 1.083 334 I HN 0.357 nan 8.210 nan 0.000 0.464 335 S N 1.786 117.446 115.700 -0.067 0.000 2.654 335 S HA 0.591 5.095 4.470 0.056 0.000 0.283 335 S C -0.043 174.575 174.600 0.030 0.000 1.180 335 S CA -0.851 57.363 58.200 0.024 0.000 1.021 335 S CB 1.826 65.019 63.200 -0.010 0.000 1.018 335 S HN 0.243 nan 8.310 nan 0.000 0.532 336 I N 2.328 122.938 120.570 0.067 0.000 2.472 336 I HA 0.378 4.582 4.170 0.056 0.000 0.290 336 I C 1.766 177.902 176.117 0.031 0.000 1.016 336 I CA -0.206 61.119 61.300 0.041 0.000 1.348 336 I CB -0.132 37.896 38.000 0.046 0.000 1.417 336 I HN 1.105 nan 8.210 nan 0.000 0.521 337 G N 5.317 114.127 108.800 0.018 0.000 2.651 337 G HA2 -0.378 3.616 3.960 0.056 0.000 0.387 337 G HA3 -0.378 3.616 3.960 0.056 0.000 0.387 337 G C 0.563 175.474 174.900 0.018 0.000 1.291 337 G CA 0.997 46.106 45.100 0.015 0.000 0.958 337 G HN 0.952 nan 8.290 nan 0.000 0.549 338 D N 1.766 122.175 120.400 0.014 0.000 2.434 338 D HA 0.104 4.777 4.640 0.056 0.000 0.232 338 D C 0.963 177.269 176.300 0.011 0.000 1.166 338 D CA 0.643 54.650 54.000 0.012 0.000 0.830 338 D CB -0.708 40.095 40.800 0.004 0.000 0.960 338 D HN 0.864 nan 8.370 nan 0.000 0.497 339 E N 0.361 120.574 120.200 0.021 0.000 2.418 339 E HA 0.003 4.387 4.350 0.056 0.000 0.261 339 E C -0.521 176.098 176.600 0.032 0.000 1.070 339 E CA -0.358 56.057 56.400 0.025 0.000 0.931 339 E CB 0.374 30.102 29.700 0.046 0.000 0.954 339 E HN -0.068 nan 8.360 nan 0.000 0.439 340 N N 2.033 120.745 118.700 0.020 0.000 2.434 340 N HA 0.065 4.839 4.740 0.056 0.000 0.272 340 N C -0.121 175.440 175.510 0.086 0.000 1.040 340 N CA -0.151 52.919 53.050 0.033 0.000 0.956 340 N CB 1.714 40.194 38.487 -0.012 0.000 1.108 340 N HN 0.657 nan 8.380 nan 0.000 0.481 341 S N 1.443 117.222 115.700 0.131 0.000 3.530 341 S HA 0.828 5.332 4.470 0.056 0.000 0.180 341 S C 0.814 175.564 174.600 0.250 0.000 0.889 341 S CA 0.366 58.694 58.200 0.214 0.000 1.478 341 S CB 0.072 63.357 63.200 0.142 0.000 0.612 341 S HN 0.707 nan 8.310 nan 0.000 0.615 342 G N -0.734 108.216 108.800 0.251 0.000 2.291 342 G HA2 0.223 4.217 3.960 0.056 0.000 0.249 342 G HA3 0.223 4.217 3.960 0.056 0.000 0.249 342 G C -1.656 173.439 174.900 0.325 0.000 1.340 342 G CA -0.701 44.579 45.100 0.301 0.000 1.017 342 G HN 0.537 nan 8.290 nan 0.000 0.470 343 Y N 1.899 122.252 120.300 0.087 0.000 2.712 343 Y HA 0.458 5.041 4.550 0.055 0.000 0.333 343 Y C 1.447 177.395 175.900 0.079 0.000 1.225 343 Y CA -0.101 58.021 58.100 0.037 0.000 1.499 343 Y CB 0.688 39.159 38.460 0.019 0.000 1.288 343 Y HN 0.838 nan 8.280 nan 0.000 0.575 344 S N 0.415 116.215 115.700 0.166 0.000 2.745 344 S HA 0.859 5.363 4.470 0.056 0.000 0.306 344 S C -0.655 174.030 174.600 0.142 0.000 1.137 344 S CA -0.931 57.383 58.200 0.190 0.000 0.900 344 S CB 2.387 65.662 63.200 0.125 0.000 1.176 344 S HN 0.498 nan 8.310 nan 0.000 0.520 345 S N -0.244 115.568 115.700 0.187 0.000 2.543 345 S HA 0.638 5.142 4.470 0.056 0.000 0.271 345 S C -1.455 173.293 174.600 0.245 0.000 1.148 345 S CA -0.538 57.771 58.200 0.181 0.000 0.914 345 S CB 1.025 64.326 63.200 0.168 0.000 1.096 345 S HN 1.554 nan 8.310 nan 0.000 0.471 346 V N 2.599 122.659 119.914 0.242 0.000 2.680 346 V HA 0.954 5.108 4.120 0.056 0.000 0.309 346 V C -0.922 175.359 176.094 0.312 0.000 1.052 346 V CA -0.923 61.564 62.300 0.312 0.000 0.908 346 V CB 1.288 33.284 31.823 0.289 0.000 1.001 346 V HN 0.879 nan 8.190 nan 0.000 0.431 347 L N 3.897 125.355 121.223 0.391 0.000 2.470 347 L HA 0.695 5.068 4.340 0.056 0.000 0.268 347 L C -1.850 175.325 176.870 0.508 0.000 0.964 347 L CA -0.503 54.571 54.840 0.390 0.000 0.839 347 L CB 2.058 44.321 42.059 0.340 0.000 1.276 347 L HN 0.797 nan 8.230 nan 0.000 0.403 348 Y N 4.619 125.079 120.300 0.266 0.000 2.342 348 Y HA 0.655 5.239 4.550 0.056 0.000 0.338 348 Y C -0.883 175.153 175.900 0.227 0.000 0.965 348 Y CA -0.727 57.516 58.100 0.238 0.000 1.159 348 Y CB 1.109 39.671 38.460 0.170 0.000 1.157 348 Y HN 0.772 nan 8.280 nan 0.000 0.486 349 K N 5.385 125.770 120.400 -0.024 0.000 2.637 349 K HA 0.287 4.641 4.320 0.056 0.000 0.248 349 K C -1.314 175.220 176.600 -0.111 0.000 0.971 349 K CA -0.405 55.856 56.287 -0.043 0.000 0.858 349 K CB 0.683 33.259 32.500 0.126 0.000 1.170 349 K HN 0.682 nan 8.250 nan 0.000 0.443 350 D N 4.046 124.325 120.400 -0.201 0.000 2.705 350 D HA -0.178 4.496 4.640 0.056 0.000 0.240 350 D C -0.322 175.880 176.300 -0.164 0.000 1.137 350 D CA 1.808 55.729 54.000 -0.131 0.000 0.677 350 D CB -0.839 39.942 40.800 -0.031 0.000 1.049 350 D HN 1.007 nan 8.370 nan 0.000 0.427 351 D N -1.012 119.159 120.400 -0.382 0.000 2.983 351 D HA -0.242 4.432 4.640 0.056 0.000 0.225 351 D C -0.463 175.812 176.300 -0.041 0.000 1.174 351 D CA 1.402 55.263 54.000 -0.232 0.000 0.831 351 D CB -0.464 40.331 40.800 -0.009 0.000 1.104 351 D HN 0.518 nan 8.370 nan 0.000 0.421 352 K N -0.146 120.196 120.400 -0.097 0.000 2.376 352 K HA 0.544 4.898 4.320 0.056 0.000 0.257 352 K C -0.723 175.915 176.600 0.064 0.000 0.939 352 K CA -0.975 55.304 56.287 -0.013 0.000 0.809 352 K CB 1.761 34.198 32.500 -0.105 0.000 1.121 352 K HN 0.037 nan 8.250 nan 0.000 0.425 353 L N 3.865 125.126 121.223 0.063 0.000 2.334 353 L HA 0.466 4.840 4.340 0.056 0.000 0.277 353 L C -1.434 175.362 176.870 -0.124 0.000 1.075 353 L CA 0.217 55.182 54.840 0.207 0.000 0.804 353 L CB 0.314 42.550 42.059 0.295 0.000 1.174 353 L HN 0.557 nan 8.230 nan 0.000 0.438 354 Y N 1.707 122.168 120.300 0.268 0.000 2.644 354 Y HA 0.692 5.275 4.550 0.056 0.000 0.338 354 Y C -0.201 175.707 175.900 0.014 0.000 1.119 354 Y CA -0.753 57.323 58.100 -0.041 0.000 1.060 354 Y CB 2.191 40.749 38.460 0.163 0.000 1.294 354 Y HN 0.543 nan 8.280 nan 0.000 0.472 355 S N 1.003 116.708 115.700 0.007 0.000 2.556 355 S HA 0.680 5.184 4.470 0.056 0.000 0.271 355 S C -2.364 172.408 174.600 0.287 0.000 1.135 355 S CA -0.656 57.677 58.200 0.222 0.000 0.858 355 S CB 1.211 64.592 63.200 0.302 0.000 1.114 355 S HN 0.623 nan 8.310 nan 0.000 0.468 356 L N 6.180 127.582 121.223 0.298 0.000 2.415 356 L HA 0.586 4.960 4.340 0.056 0.000 0.268 356 L C -1.195 175.795 176.870 0.200 0.000 0.984 356 L CA -0.325 54.642 54.840 0.212 0.000 0.853 356 L CB 1.008 43.161 42.059 0.158 0.000 1.215 356 L HN 1.006 nan 8.230 nan 0.000 0.419 357 H N 2.211 121.351 119.070 0.116 0.000 2.980 357 H HA 0.448 5.037 4.556 0.056 0.000 0.367 357 H C -1.250 174.140 175.328 0.103 0.000 1.206 357 H CA -0.915 55.200 56.048 0.111 0.000 1.126 357 H CB 1.637 31.475 29.762 0.127 0.000 1.838 357 H HN 0.472 nan 8.280 nan 0.000 0.552 358 E N 1.505 121.842 120.200 0.230 0.000 2.418 358 E HA 0.227 4.611 4.350 0.056 0.000 0.261 358 E C 0.135 176.874 176.600 0.232 0.000 1.070 358 E CA 0.079 56.598 56.400 0.198 0.000 0.931 358 E CB 0.985 30.848 29.700 0.271 0.000 0.954 358 E HN 0.468 nan 8.360 nan 0.000 0.439 359 I N -0.645 120.006 120.570 0.134 0.000 2.647 359 I HA 0.488 4.692 4.170 0.056 0.000 0.295 359 I C -1.009 175.113 176.117 0.008 0.000 1.078 359 I CA -0.892 60.465 61.300 0.095 0.000 1.048 359 I CB 2.113 40.139 38.000 0.043 0.000 1.239 359 I HN 0.362 nan 8.210 nan 0.000 0.421 360 N N 3.274 121.928 118.700 -0.078 0.000 2.461 360 N HA 0.522 5.296 4.740 0.056 0.000 0.284 360 N C -1.519 173.859 175.510 -0.221 0.000 1.049 360 N CA -0.307 52.545 53.050 -0.331 0.000 0.889 360 N CB 1.858 40.125 38.487 -0.367 0.000 1.365 360 N HN 0.771 nan 8.380 nan 0.000 0.499 361 T N 2.712 117.131 114.554 -0.225 0.000 2.840 361 T HA 0.305 4.689 4.350 0.056 0.000 0.287 361 T C -0.209 174.415 174.700 -0.126 0.000 0.991 361 T CA -0.639 61.381 62.100 -0.133 0.000 0.964 361 T CB 0.891 69.708 68.868 -0.086 0.000 0.954 361 T HN 0.656 nan 8.240 nan 0.000 0.438 362 N N 2.925 121.580 118.700 -0.076 0.000 2.716 362 N HA -0.177 4.597 4.740 0.056 0.000 0.250 362 N C -0.486 175.001 175.510 -0.037 0.000 1.033 362 N CA 1.048 54.081 53.050 -0.029 0.000 0.727 362 N CB -0.949 37.527 38.487 -0.017 0.000 0.950 362 N HN 0.853 nan 8.380 nan 0.000 0.541 363 D N -2.365 117.973 120.400 -0.105 0.000 2.772 363 D HA -0.155 4.519 4.640 0.056 0.000 0.233 363 D C -0.477 175.759 176.300 -0.107 0.000 1.143 363 D CA 0.926 54.835 54.000 -0.151 0.000 0.700 363 D CB -1.306 39.556 40.800 0.104 0.000 1.076 363 D HN 0.348 nan 8.370 nan 0.000 0.430 364 V N 0.744 120.523 119.914 -0.226 0.000 2.409 364 V HA 0.438 4.592 4.120 0.056 0.000 0.291 364 V C -0.001 175.989 176.094 -0.174 0.000 1.020 364 V CA -0.881 61.374 62.300 -0.075 0.000 0.848 364 V CB 1.242 32.939 31.823 -0.211 0.000 0.990 364 V HN -0.033 nan 8.190 nan 0.000 0.430 365 Y N 1.712 122.009 120.300 -0.005 0.000 2.361 365 Y HA 0.696 5.281 4.550 0.058 0.000 0.332 365 Y C 0.700 176.632 175.900 0.053 0.000 1.101 365 Y CA -0.452 57.658 58.100 0.016 0.000 1.137 365 Y CB 2.018 40.483 38.460 0.007 0.000 1.207 365 Y HN 0.573 nan 8.280 nan 0.000 0.463 366 S N 2.394 118.214 115.700 0.199 0.000 2.600 366 S HA 0.721 5.224 4.470 0.056 0.000 0.300 366 S C -1.163 173.499 174.600 0.103 0.000 1.087 366 S CA -0.833 57.467 58.200 0.167 0.000 0.965 366 S CB 0.947 64.193 63.200 0.077 0.000 1.089 366 S HN 0.480 nan 8.310 nan 0.000 0.496 367 L N 2.742 124.002 121.223 0.061 0.000 2.305 367 L HA 0.584 4.958 4.340 0.056 0.000 0.284 367 L C -0.461 176.393 176.870 -0.027 0.000 1.013 367 L CA -1.013 53.808 54.840 -0.032 0.000 0.819 367 L CB 1.458 43.420 42.059 -0.161 0.000 1.227 367 L HN 0.420 nan 8.230 nan 0.000 0.417 368 V N -0.167 119.663 119.914 -0.140 0.000 2.481 368 V HA 0.470 4.623 4.120 0.056 0.000 0.286 368 V C -0.572 175.523 176.094 0.002 0.000 1.042 368 V CA -0.603 61.633 62.300 -0.106 0.000 0.928 368 V CB 1.564 33.263 31.823 -0.206 0.000 0.986 368 V HN 0.517 nan 8.190 nan 0.000 0.462 369 F N 4.947 124.840 119.950 -0.094 0.000 2.404 369 F HA 0.779 5.340 4.527 0.057 0.000 0.354 369 F C -0.384 175.407 175.800 -0.015 0.000 1.122 369 F CA -1.127 56.854 58.000 -0.032 0.000 1.080 369 F CB 1.339 40.334 39.000 -0.009 0.000 1.131 369 F HN 0.448 nan 8.300 nan 0.000 0.471 370 V N 6.856 126.586 119.914 -0.307 0.000 2.628 370 V HA 0.539 4.693 4.120 0.056 0.000 0.306 370 V C -0.348 175.316 176.094 -0.717 0.000 1.045 370 V CA -1.006 61.014 62.300 -0.467 0.000 0.905 370 V CB 2.098 33.657 31.823 -0.439 0.000 0.997 370 V HN 0.599 nan 8.190 nan 0.000 0.436 371 R N 3.097 123.261 120.500 -0.560 0.000 2.239 371 R HA 0.425 4.798 4.340 0.056 0.000 0.332 371 R C -0.804 175.287 176.300 -0.348 0.000 0.988 371 R CA -0.214 55.583 56.100 -0.504 0.000 0.859 371 R CB 0.787 30.894 30.300 -0.322 0.000 1.148 371 R HN 0.651 nan 8.270 nan 0.000 0.482 372 F N 4.004 123.843 119.950 -0.185 0.000 2.662 372 F HA 0.032 4.592 4.527 0.056 0.000 0.365 372 F C 1.246 176.980 175.800 -0.111 0.000 1.222 372 F CA -0.470 57.462 58.000 -0.113 0.000 1.315 372 F CB 0.023 38.978 39.000 -0.075 0.000 1.711 372 F HN 0.512 nan 8.300 nan 0.000 0.651 373 I N 1.072 121.681 120.570 0.065 0.000 2.163 373 I HA -0.149 4.055 4.170 0.056 0.000 0.240 373 I C 2.738 178.878 176.117 0.038 0.000 1.081 373 I CA 1.478 62.791 61.300 0.020 0.000 1.353 373 I CB -1.006 36.989 38.000 -0.008 0.000 1.054 373 I HN 0.423 nan 8.210 nan 0.000 0.407 374 G N 0.077 108.906 108.800 0.048 0.000 2.545 374 G HA2 -0.306 3.688 3.960 0.056 0.000 0.217 374 G HA3 -0.306 3.688 3.960 0.056 0.000 0.217 374 G C 1.540 176.440 174.900 0.001 0.000 1.218 374 G CA 1.117 46.231 45.100 0.023 0.000 0.787 374 G HN 0.361 nan 8.290 nan 0.000 0.571 375 E N -0.056 120.135 120.200 -0.016 0.000 2.086 375 E HA -0.165 4.219 4.350 0.056 0.000 0.200 375 E C 2.328 178.886 176.600 -0.069 0.000 1.012 375 E CA 1.075 57.420 56.400 -0.092 0.000 0.812 375 E CB -0.442 29.076 29.700 -0.304 0.000 0.743 375 E HN 0.350 nan 8.360 nan 0.000 0.453 376 L N 0.820 122.027 121.223 -0.026 0.000 2.056 376 L HA -0.202 4.172 4.340 0.056 0.000 0.207 376 L C 2.369 179.209 176.870 -0.050 0.000 1.078 376 L CA 1.889 56.709 54.840 -0.034 0.000 0.749 376 L CB -0.557 41.519 42.059 0.029 0.000 0.901 376 L HN 0.171 nan 8.230 nan 0.000 0.433 377 Q N -1.017 118.765 119.800 -0.030 0.000 2.061 377 Q HA -0.271 4.103 4.340 0.056 0.000 0.204 377 Q C 2.257 178.214 176.000 -0.072 0.000 0.984 377 Q CA 2.370 58.150 55.803 -0.038 0.000 0.846 377 Q CB -0.335 28.390 28.738 -0.021 0.000 0.902 377 Q HN 0.492 nan 8.270 nan 0.000 0.421 378 L N 0.244 121.426 121.223 -0.068 0.000 2.056 378 L HA -0.125 4.249 4.340 0.056 0.000 0.207 378 L C 2.180 178.926 176.870 -0.206 0.000 1.078 378 L CA 1.681 56.463 54.840 -0.097 0.000 0.749 378 L CB -0.353 41.701 42.059 -0.009 0.000 0.901 378 L HN 0.333 nan 8.230 nan 0.000 0.433 379 M N -0.684 118.813 119.600 -0.172 0.000 2.108 379 M HA -0.237 4.277 4.480 0.056 0.000 0.261 379 M C 2.110 178.243 176.300 -0.279 0.000 1.066 379 M CA 1.922 57.076 55.300 -0.244 0.000 1.107 379 M CB -0.391 32.109 32.600 -0.167 0.000 1.356 379 M HN 0.151 nan 8.290 nan 0.000 0.406 380 K N -0.574 119.713 120.400 -0.190 0.000 2.057 380 K HA -0.112 4.241 4.320 0.056 0.000 0.207 380 K C 2.245 178.721 176.600 -0.207 0.000 1.049 380 K CA 1.648 57.836 56.287 -0.164 0.000 0.931 380 K CB -0.562 31.885 32.500 -0.089 0.000 0.714 380 K HN 0.227 nan 8.250 nan 0.000 0.440 381 S N 1.304 116.880 115.700 -0.206 0.000 2.374 381 S HA -0.145 4.359 4.470 0.056 0.000 0.227 381 S C 2.127 176.537 174.600 -0.316 0.000 1.037 381 S CA 1.703 59.777 58.200 -0.210 0.000 1.024 381 S CB -0.332 62.765 63.200 -0.173 0.000 0.861 381 S HN 0.319 nan 8.310 nan 0.000 0.456 382 V N -0.337 119.274 119.914 -0.505 0.000 2.788 382 V HA 0.110 4.264 4.120 0.056 0.000 0.251 382 V C 2.057 177.621 176.094 -0.883 0.000 1.068 382 V CA 1.457 63.312 62.300 -0.741 0.000 1.090 382 V CB -0.570 30.630 31.823 -1.038 0.000 0.710 382 V HN 0.352 nan 8.190 nan 0.000 0.467 383 V N 0.779 120.309 119.914 -0.639 0.000 2.626 383 V HA -0.137 4.016 4.120 0.056 0.000 0.252 383 V C 2.994 178.971 176.094 -0.195 0.000 1.067 383 V CA 2.327 64.378 62.300 -0.415 0.000 1.081 383 V CB -0.856 30.846 31.823 -0.203 0.000 0.686 383 V HN 0.534 nan 8.190 nan 0.000 0.468 384 R N -0.381 120.002 120.500 -0.195 0.000 2.066 384 R HA -0.116 4.258 4.340 0.056 0.000 0.232 384 R C 2.392 178.647 176.300 -0.075 0.000 1.131 384 R CA 1.854 57.896 56.100 -0.096 0.000 0.955 384 R CB -0.881 29.364 30.300 -0.093 0.000 0.851 384 R HN 0.446 nan 8.270 nan 0.000 0.432 385 T N 0.336 114.801 114.554 -0.149 0.000 2.803 385 T HA -0.158 4.226 4.350 0.056 0.000 0.269 385 T C 1.331 176.079 174.700 0.080 0.000 1.052 385 T CA 1.184 63.236 62.100 -0.080 0.000 1.136 385 T CB -0.134 68.665 68.868 -0.115 0.000 0.864 385 T HN 0.352 nan 8.240 nan 0.000 0.467 386 W N 1.773 123.110 121.300 0.062 0.000 2.407 386 W HA 0.131 4.825 4.660 0.056 0.000 0.305 386 W C 2.224 178.838 176.519 0.159 0.000 1.196 386 W CA 0.161 57.622 57.345 0.193 0.000 1.311 386 W CB -1.031 28.586 29.460 0.262 0.000 1.135 386 W HN 0.309 nan 8.180 nan 0.000 0.514 387 K N 0.522 121.102 120.400 0.301 0.000 1.991 387 K HA -0.189 4.165 4.320 0.056 0.000 0.212 387 K C 1.787 178.481 176.600 0.156 0.000 1.049 387 K CA 1.898 58.305 56.287 0.201 0.000 0.932 387 K CB -0.550 32.027 32.500 0.127 0.000 0.717 387 K HN 0.113 nan 8.250 nan 0.000 0.441 388 E N 0.438 120.702 120.200 0.106 0.000 2.114 388 E HA -0.277 4.107 4.350 0.056 0.000 0.199 388 E C 2.052 178.710 176.600 0.097 0.000 1.008 388 E CA 1.587 58.032 56.400 0.074 0.000 0.810 388 E CB -0.011 29.703 29.700 0.024 0.000 0.739 388 E HN 0.243 nan 8.360 nan 0.000 0.456 389 E N 0.703 120.955 120.200 0.086 0.000 2.140 389 E HA -0.101 4.283 4.350 0.056 0.000 0.191 389 E C 1.448 178.163 176.600 0.193 0.000 0.973 389 E CA 0.857 57.302 56.400 0.075 0.000 0.829 389 E CB 0.012 29.593 29.700 -0.198 0.000 0.781 389 E HN 0.067 nan 8.360 nan 0.000 0.466 390 D N -0.006 120.544 120.400 0.251 0.000 2.104 390 D HA -0.204 4.469 4.640 0.056 0.000 0.194 390 D C 1.887 178.281 176.300 0.156 0.000 0.994 390 D CA 1.925 56.071 54.000 0.244 0.000 0.830 390 D CB -0.899 40.047 40.800 0.242 0.000 0.959 390 D HN 0.408 nan 8.370 nan 0.000 0.452 391 N N -0.218 118.569 118.700 0.145 0.000 2.120 391 N HA -0.226 4.548 4.740 0.056 0.000 0.188 391 N C 1.794 177.359 175.510 0.092 0.000 1.024 391 N CA 1.924 55.036 53.050 0.103 0.000 0.852 391 N CB -1.066 37.479 38.487 0.098 0.000 1.003 391 N HN 0.395 nan 8.380 nan 0.000 0.424 392 H N 0.520 119.621 119.070 0.052 0.000 2.254 392 H HA 0.004 4.593 4.556 0.056 0.000 0.294 392 H C 2.097 177.448 175.328 0.040 0.000 1.071 392 H CA 2.144 58.217 56.048 0.041 0.000 1.228 392 H CB -0.574 29.214 29.762 0.043 0.000 1.358 392 H HN 0.377 nan 8.280 nan 0.000 0.495 393 L N -0.227 120.956 121.223 -0.066 0.000 2.129 393 L HA -0.169 4.205 4.340 0.056 0.000 0.212 393 L C 2.563 179.372 176.870 -0.101 0.000 1.087 393 L CA 1.096 55.870 54.840 -0.109 0.000 0.757 393 L CB -0.580 41.505 42.059 0.043 0.000 0.896 393 L HN 0.495 nan 8.230 nan 0.000 0.434 394 A N -1.969 120.827 122.820 -0.039 0.000 2.235 394 A HA 0.020 4.374 4.320 0.056 0.000 0.208 394 A C 1.926 179.477 177.584 -0.055 0.000 1.172 394 A CA 0.879 52.900 52.037 -0.027 0.000 0.786 394 A CB -0.120 18.887 19.000 0.011 0.000 0.804 394 A HN 0.308 nan 8.150 nan 0.000 0.479 395 S N -0.575 115.060 115.700 -0.109 0.000 2.730 395 S HA 0.353 4.857 4.470 0.056 0.000 0.244 395 S C 0.160 174.685 174.600 -0.126 0.000 1.022 395 S CA -0.397 57.746 58.200 -0.096 0.000 1.014 395 S CB -0.033 63.125 63.200 -0.070 0.000 0.963 395 S HN 0.458 nan 8.310 nan 0.000 0.540 396 I N 1.692 122.164 120.570 -0.164 0.000 2.352 396 I HA 0.143 4.347 4.170 0.056 0.000 0.290 396 I C 0.382 176.447 176.117 -0.087 0.000 1.036 396 I CA -0.420 60.794 61.300 -0.143 0.000 1.336 396 I CB 0.736 38.639 38.000 -0.161 0.000 1.407 396 I HN 0.157 nan 8.210 nan 0.000 0.497 397 c N 7.633 126.194 118.600 -0.066 0.000 2.663 397 c HA 0.143 4.747 4.570 0.056 0.000 0.379 397 c C 1.313 175.369 174.090 -0.057 0.000 1.255 397 c CA -0.495 55.802 56.329 -0.052 0.000 1.503 397 c CB -1.673 40.812 42.510 -0.041 0.000 2.187 397 c HN 0.861 nan 8.230 nan 0.000 0.580 398 T N 5.138 119.655 114.554 -0.061 0.000 2.816 398 T HA 0.511 4.895 4.350 0.056 0.000 0.282 398 T C -2.655 172.005 174.700 -0.067 0.000 0.993 398 T CA -1.311 60.747 62.100 -0.070 0.000 0.994 398 T CB 0.804 69.628 68.868 -0.074 0.000 1.025 398 T HN 0.468 nan 8.240 nan 0.000 0.529 399 P HA 0.380 nan 4.420 nan 0.000 0.278 399 P C -0.754 176.510 177.300 -0.059 0.000 1.238 399 P CA -0.718 62.339 63.100 -0.071 0.000 0.794 399 P CB 0.498 32.143 31.700 -0.091 0.000 0.955 400 V N 3.468 123.354 119.914 -0.046 0.000 2.488 400 V HA 0.073 4.227 4.120 0.056 0.000 0.277 400 V C 0.363 176.437 176.094 -0.033 0.000 1.046 400 V CA -0.222 62.056 62.300 -0.036 0.000 0.986 400 V CB 1.091 32.897 31.823 -0.028 0.000 0.989 400 V HN 0.241 nan 8.190 nan 0.000 0.475 401 V N 8.368 128.265 119.914 -0.028 0.000 2.432 401 V HA 0.277 4.431 4.120 0.056 0.000 0.275 401 V C -1.585 174.501 176.094 -0.012 0.000 1.043 401 V CA -1.516 60.772 62.300 -0.020 0.000 0.925 401 V CB 1.305 33.117 31.823 -0.018 0.000 0.985 401 V HN 0.840 nan 8.190 nan 0.000 0.466 402 P HA 0.235 nan 4.420 nan 0.000 0.260 402 P C -0.369 176.929 177.300 -0.002 0.000 1.185 402 P CA 0.273 63.371 63.100 -0.004 0.000 0.763 402 P CB 0.836 32.537 31.700 0.002 0.000 0.776 412 G N 1.347 110.124 108.800 -0.039 0.000 2.621 412 G HA2 0.616 4.610 3.960 0.056 0.000 0.271 412 G HA3 0.616 4.610 3.960 0.056 0.000 0.271 412 G C 0.395 175.270 174.900 -0.041 0.000 1.236 412 G CA 0.318 45.394 45.100 -0.040 0.000 0.958 412 G HN 1.593 nan 8.290 nan 0.000 0.512 413 A N -0.640 122.156 122.820 -0.041 0.000 2.586 413 A HA 0.472 4.826 4.320 0.056 0.000 0.231 413 A C 1.203 178.761 177.584 -0.044 0.000 1.055 413 A CA 0.546 52.559 52.037 -0.040 0.000 0.756 413 A CB -0.465 18.509 19.000 -0.043 0.000 0.988 413 A HN 2.010 nan 8.150 nan 0.000 0.509 414 A N 1.753 124.550 122.820 -0.039 0.000 2.507 414 A HA 0.418 4.772 4.320 0.056 0.000 0.235 414 A C 0.524 178.084 177.584 -0.039 0.000 1.070 414 A CA -0.137 51.878 52.037 -0.038 0.000 0.768 414 A CB -0.239 18.744 19.000 -0.028 0.000 1.011 414 A HN 1.354 nan 8.150 nan 0.000 0.502 415 V N 4.196 124.087 119.914 -0.039 0.000 2.557 415 V HA 0.101 4.255 4.120 0.056 0.000 0.301 415 V C -1.847 174.248 176.094 0.000 0.000 1.026 415 V CA -0.477 61.807 62.300 -0.026 0.000 1.137 415 V CB 0.259 32.063 31.823 -0.033 0.000 0.917 415 V HN 0.784 nan 8.190 nan 0.000 0.484 416 P HA 0.202 nan 4.420 nan 0.000 0.271 416 P C 0.507 177.913 177.300 0.176 0.000 1.220 416 P CA -0.000 63.130 63.100 0.050 0.000 0.768 416 P CB 0.705 32.372 31.700 -0.054 0.000 0.848 417 T N -1.434 113.194 114.554 0.124 0.000 3.016 417 T HA 0.365 4.748 4.350 0.056 0.000 0.271 417 T C 0.690 175.419 174.700 0.048 0.000 0.968 417 T CA -0.131 62.019 62.100 0.084 0.000 0.891 417 T CB -0.078 68.825 68.868 0.059 0.000 1.149 417 T HN 0.362 nan 8.240 nan 0.000 0.524 418 A N 1.098 123.959 122.820 0.068 0.000 2.451 418 A HA 0.582 4.936 4.320 0.056 0.000 0.266 418 A C 1.651 179.258 177.584 0.037 0.000 1.119 418 A CA 0.293 52.346 52.037 0.027 0.000 0.786 418 A CB -1.127 17.881 19.000 0.014 0.000 1.061 418 A HN 1.564 nan 8.150 nan 0.000 0.503 419 G N 1.538 110.304 108.800 -0.056 0.000 2.179 419 G HA2 -0.214 3.780 3.960 0.056 0.000 0.257 419 G HA3 -0.214 3.780 3.960 0.056 0.000 0.257 419 G C 0.209 175.000 174.900 -0.182 0.000 1.010 419 G CA 0.408 45.433 45.100 -0.126 0.000 0.736 419 G HN 1.342 nan 8.290 nan 0.000 0.513 420 L N 1.078 122.126 121.223 -0.292 0.000 2.433 420 L HA 0.376 4.750 4.340 0.056 0.000 0.284 420 L C 1.645 178.092 176.870 -0.705 0.000 1.120 420 L CA -0.573 53.837 54.840 -0.718 0.000 0.879 420 L CB 0.629 42.311 42.059 -0.627 0.000 1.232 420 L HN -0.002 nan 8.230 nan 0.000 0.454 421 V N 5.022 124.565 119.914 -0.619 0.000 2.346 421 V HA 0.139 4.293 4.120 0.056 0.000 0.244 421 V C 1.247 177.119 176.094 -0.369 0.000 1.037 421 V CA 1.325 63.324 62.300 -0.501 0.000 1.029 421 V CB -0.305 31.258 31.823 -0.433 0.000 0.663 421 V HN 0.873 nan 8.190 nan 0.000 0.454 422 G N -2.007 106.662 108.800 -0.217 0.000 2.725 422 G HA2 0.638 4.631 3.960 0.056 0.000 0.288 422 G HA3 0.638 4.631 3.960 0.056 0.000 0.288 422 G C -1.937 173.230 174.900 0.445 0.000 1.399 422 G CA -0.503 44.722 45.100 0.209 0.000 0.859 422 G HN 0.067 nan 8.290 nan 0.000 0.479 423 F N 0.418 120.604 119.950 0.393 0.000 2.683 423 F HA 0.463 5.024 4.527 0.056 0.000 0.333 423 F C -1.667 174.124 175.800 -0.014 0.000 1.160 423 F CA -1.068 57.049 58.000 0.194 0.000 1.099 423 F CB 1.173 40.313 39.000 0.234 0.000 1.344 423 F HN 0.354 nan 8.300 nan 0.000 0.534 424 L N 6.391 127.257 121.223 -0.594 0.000 2.276 424 L HA 0.478 4.852 4.340 0.056 0.000 0.286 424 L C 0.128 176.403 176.870 -0.991 0.000 1.024 424 L CA -0.164 54.037 54.840 -1.064 0.000 0.826 424 L CB 1.296 42.230 42.059 -1.875 0.000 1.211 424 L HN 0.693 nan 8.230 nan 0.000 0.422 425 S N 0.691 115.952 115.700 -0.731 0.000 4.150 425 S HA 0.114 4.618 4.470 0.056 0.000 0.193 425 S C 1.225 175.918 174.600 0.156 0.000 1.010 425 S CA 0.084 58.086 58.200 -0.331 0.000 1.650 425 S CB 0.162 63.057 63.200 -0.508 0.000 0.823 425 S HN 0.787 nan 8.310 nan 0.000 0.794 426 H N 1.225 120.294 119.070 -0.001 0.000 2.428 426 H HA 0.418 5.007 4.556 0.056 0.000 0.296 426 H C 0.731 176.095 175.328 0.060 0.000 1.062 426 H CA 1.349 57.427 56.048 0.050 0.000 1.350 426 H CB -0.389 29.378 29.762 0.008 0.000 1.403 426 H HN 0.251 nan 8.280 nan 0.000 0.533 427 S N 0.155 115.881 115.700 0.044 0.000 2.510 427 S HA 0.563 5.067 4.470 0.056 0.000 0.279 427 S C -0.587 174.034 174.600 0.034 0.000 1.284 427 S CA 0.182 58.372 58.200 -0.016 0.000 1.059 427 S CB -0.154 63.062 63.200 0.026 0.000 0.901 427 S HN 0.665 nan 8.310 nan 0.000 0.491 428 A N 3.911 126.687 122.820 -0.073 0.000 2.490 428 A HA 0.679 5.033 4.320 0.056 0.000 0.292 428 A C -0.997 176.509 177.584 -0.130 0.000 1.047 428 A CA -0.811 51.174 52.037 -0.087 0.000 0.632 428 A CB 0.738 19.579 19.000 -0.265 0.000 1.323 428 A HN 0.867 nan 8.150 nan 0.000 0.448 429 N N -2.117 116.508 118.700 -0.124 0.000 3.449 429 N HA 0.484 5.257 4.740 0.056 0.000 0.312 429 N C 0.949 176.397 175.510 -0.104 0.000 1.582 429 N CA 0.265 53.252 53.050 -0.105 0.000 0.850 429 N CB 0.002 38.454 38.487 -0.057 0.000 1.822 429 N HN 1.251 nan 8.380 nan 0.000 0.577 430 G N -1.271 107.487 108.800 -0.070 0.000 2.498 430 G HA2 -0.042 3.952 3.960 0.056 0.000 0.219 430 G HA3 -0.042 3.952 3.960 0.056 0.000 0.219 430 G C 0.660 175.544 174.900 -0.026 0.000 1.119 430 G CA 1.445 46.514 45.100 -0.052 0.000 0.766 430 G HN 1.089 nan 8.290 nan 0.000 0.552 431 S N -2.161 113.531 115.700 -0.013 0.000 2.820 431 S HA 0.481 4.985 4.470 0.056 0.000 0.265 431 S C -0.307 174.316 174.600 0.038 0.000 1.043 431 S CA -0.281 57.927 58.200 0.013 0.000 1.245 431 S CB 1.106 64.313 63.200 0.012 0.000 1.187 431 S HN 0.066 nan 8.310 nan 0.000 0.673 432 V N 2.311 122.248 119.914 0.040 0.000 2.653 432 V HA 0.402 4.556 4.120 0.056 0.000 0.298 432 V C -1.733 174.437 176.094 0.128 0.000 1.097 432 V CA -0.557 61.796 62.300 0.088 0.000 0.908 432 V CB 1.573 33.441 31.823 0.075 0.000 1.024 432 V HN 0.563 nan 8.190 nan 0.000 0.435 433 W N 4.985 126.260 121.300 -0.042 0.000 2.332 433 W HA 0.529 5.223 4.660 0.057 0.000 0.306 433 W C 0.306 176.774 176.519 -0.086 0.000 1.149 433 W CA -0.982 56.310 57.345 -0.088 0.000 1.271 433 W CB 0.985 30.366 29.460 -0.132 0.000 1.243 433 W HN 0.646 nan 8.180 nan 0.000 0.459 434 E N 2.771 123.107 120.200 0.228 0.000 2.301 434 E HA 0.044 4.427 4.350 0.056 0.000 0.275 434 E C -0.343 176.266 176.600 0.015 0.000 1.030 434 E CA -0.688 55.776 56.400 0.106 0.000 0.852 434 E CB 1.146 30.906 29.700 0.099 0.000 1.060 434 E HN 0.172 nan 8.360 nan 0.000 0.401 435 D N 2.006 122.464 120.400 0.098 0.000 2.390 435 D HA -0.031 4.643 4.640 0.056 0.000 0.249 435 D C 0.628 177.022 176.300 0.157 0.000 1.144 435 D CA -0.130 53.972 54.000 0.171 0.000 0.880 435 D CB 1.530 42.551 40.800 0.368 0.000 1.182 435 D HN 0.182 nan 8.370 nan 0.000 0.451 436 V N 4.219 124.197 119.914 0.106 0.000 2.626 436 V HA -0.221 3.932 4.120 0.056 0.000 0.252 436 V C 1.132 177.292 176.094 0.111 0.000 1.067 436 V CA 1.258 63.585 62.300 0.044 0.000 1.081 436 V CB -0.773 31.015 31.823 -0.058 0.000 0.686 436 V HN 0.606 nan 8.190 nan 0.000 0.468 437 Y N -0.017 120.466 120.300 0.304 0.000 2.470 437 Y HA 0.288 4.872 4.550 0.056 0.000 0.302 437 Y C 1.194 177.429 175.900 0.559 0.000 1.194 437 Y CA -0.383 57.986 58.100 0.448 0.000 1.271 437 Y CB -0.459 38.174 38.460 0.287 0.000 1.092 437 Y HN 0.198 nan 8.280 nan 0.000 0.513 438 R N -2.460 118.324 120.500 0.473 0.000 3.516 438 R HA -0.270 4.104 4.340 0.056 0.000 0.271 438 R C 0.248 176.881 176.300 0.555 0.000 1.098 438 R CA 0.695 57.046 56.100 0.419 0.000 0.732 438 R CB -2.506 27.963 30.300 0.281 0.000 1.152 438 R HN 0.473 nan 8.270 nan 0.000 0.455 439 C N -2.123 117.481 119.300 0.506 0.000 2.485 439 C HA 0.235 4.728 4.460 0.056 0.000 0.445 439 C C 0.647 175.791 174.990 0.257 0.000 1.404 439 C CA 0.205 59.484 59.018 0.436 0.000 2.577 439 C CB 0.972 28.982 27.740 0.449 0.000 2.780 439 C HN 0.275 nan 8.230 nan 0.000 0.574 440 V N 3.047 123.131 119.914 0.283 0.000 2.385 440 V HA 0.328 4.482 4.120 0.056 0.000 0.277 440 V C -1.185 175.167 176.094 0.430 0.000 1.012 440 V CA -0.339 62.074 62.300 0.188 0.000 0.832 440 V CB 0.897 32.590 31.823 -0.217 0.000 1.028 440 V HN 0.391 nan 8.190 nan 0.000 0.436 441 D N 2.741 123.316 120.400 0.292 0.000 2.414 441 D HA 0.580 5.254 4.640 0.056 0.000 0.251 441 D C 0.360 176.822 176.300 0.269 0.000 1.252 441 D CA -0.034 54.115 54.000 0.247 0.000 0.999 441 D CB 1.683 42.581 40.800 0.163 0.000 1.093 441 D HN 0.608 nan 8.370 nan 0.000 0.515 442 A N 0.391 123.273 122.820 0.104 0.000 2.312 442 A HA 0.329 4.683 4.320 0.056 0.000 0.326 442 A C 0.069 177.752 177.584 0.164 0.000 1.172 442 A CA -0.792 51.300 52.037 0.092 0.000 0.821 442 A CB 0.281 19.236 19.000 -0.075 0.000 1.166 442 A HN 0.634 nan 8.150 nan 0.000 0.493 443 N N 1.398 120.195 118.700 0.161 0.000 2.456 443 N HA 0.515 5.288 4.740 0.056 0.000 0.288 443 N C -1.188 174.392 175.510 0.115 0.000 1.059 443 N CA -0.423 52.696 53.050 0.114 0.000 0.946 443 N CB 1.433 39.965 38.487 0.075 0.000 1.150 443 N HN 0.256 nan 8.380 nan 0.000 0.479 444 V N 0.734 120.701 119.914 0.089 0.000 2.823 444 V HA 0.859 5.012 4.120 0.056 0.000 0.312 444 V C -0.314 175.805 176.094 0.041 0.000 1.072 444 V CA -0.674 61.675 62.300 0.081 0.000 0.937 444 V CB 1.418 33.285 31.823 0.074 0.000 1.013 444 V HN 1.022 nan 8.190 nan 0.000 0.430 445 A N 2.220 125.061 122.820 0.035 0.000 2.587 445 A HA 0.707 5.061 4.320 0.056 0.000 0.293 445 A C -0.042 177.579 177.584 0.061 0.000 1.087 445 A CA -0.677 51.374 52.037 0.023 0.000 0.692 445 A CB 1.160 20.155 19.000 -0.007 0.000 1.291 445 A HN 0.831 nan 8.150 nan 0.000 0.407 446 N N -0.698 118.032 118.700 0.051 0.000 2.700 446 N HA -0.167 4.607 4.740 0.056 0.000 0.265 446 N C -0.136 175.467 175.510 0.155 0.000 0.975 446 N CA 1.329 54.423 53.050 0.073 0.000 0.800 446 N CB -0.744 37.778 38.487 0.057 0.000 0.908 446 N HN 1.360 nan 8.380 nan 0.000 0.551 447 A N 0.369 123.255 122.820 0.110 0.000 2.413 447 A HA 0.716 5.070 4.320 0.056 0.000 0.307 447 A C -0.096 177.435 177.584 -0.088 0.000 1.087 447 A CA -0.694 51.370 52.037 0.046 0.000 0.750 447 A CB 1.950 20.974 19.000 0.041 0.000 1.296 447 A HN 0.317 nan 8.150 nan 0.000 0.423 448 E N 1.615 121.711 120.200 -0.173 0.000 2.272 448 E HA 0.458 4.842 4.350 0.056 0.000 0.269 448 E C -0.949 175.510 176.600 -0.234 0.000 0.877 448 E CA -0.755 55.549 56.400 -0.160 0.000 0.755 448 E CB 1.344 30.980 29.700 -0.107 0.000 1.192 448 E HN 0.645 nan 8.360 nan 0.000 0.422 449 R N 1.498 121.871 120.500 -0.212 0.000 2.537 449 R HA 0.285 4.659 4.340 0.056 0.000 0.280 449 R C 0.111 176.313 176.300 -0.164 0.000 1.058 449 R CA -0.107 55.852 56.100 -0.235 0.000 1.057 449 R CB 0.906 31.076 30.300 -0.216 0.000 0.973 449 R HN 0.457 nan 8.270 nan 0.000 0.438 450 V N 0.189 120.011 119.914 -0.154 0.000 3.102 450 V HA 0.520 4.674 4.120 0.056 0.000 0.312 450 V C -2.599 173.522 176.094 0.045 0.000 1.135 450 V CA -3.356 58.911 62.300 -0.056 0.000 1.022 450 V CB 1.919 33.702 31.823 -0.067 0.000 1.056 450 V HN 0.544 nan 8.190 nan 0.000 0.436 451 P HA 0.118 nan 4.420 nan 0.000 0.257 451 P C 0.115 177.543 177.300 0.214 0.000 1.162 451 P CA 1.018 64.231 63.100 0.189 0.000 0.762 451 P CB -0.122 31.610 31.700 0.053 0.000 0.753 452 N N 1.087 120.065 118.700 0.463 0.000 2.753 452 N HA -0.171 4.603 4.740 0.056 0.000 0.251 452 N C 0.536 176.222 175.510 0.294 0.000 1.097 452 N CA 1.808 55.059 53.050 0.334 0.000 0.786 452 N CB -1.413 37.186 38.487 0.187 0.000 1.137 452 N HN 0.708 nan 8.380 nan 0.000 0.566 453 G N -1.735 107.180 108.800 0.191 0.000 2.323 453 G HA2 0.435 4.429 3.960 0.056 0.000 0.291 453 G HA3 0.435 4.429 3.960 0.056 0.000 0.291 453 G C -2.036 172.662 174.900 -0.335 0.000 1.278 453 G CA -0.745 44.415 45.100 0.100 0.000 0.860 453 G HN 0.050 nan 8.290 nan 0.000 0.504 454 L N 0.756 121.574 121.223 -0.674 0.000 2.334 454 L HA 0.628 5.002 4.340 0.056 0.000 0.276 454 L C 0.206 176.537 176.870 -0.900 0.000 1.014 454 L CA -1.021 53.273 54.840 -0.910 0.000 0.815 454 L CB 1.652 42.907 42.059 -1.340 0.000 1.268 454 L HN 0.713 nan 8.230 nan 0.000 0.428 455 K N 3.177 123.177 120.400 -0.667 0.000 2.281 455 K HA 0.433 4.787 4.320 0.056 0.000 0.272 455 K C -1.249 175.082 176.600 -0.449 0.000 1.048 455 K CA -0.281 55.723 56.287 -0.472 0.000 0.898 455 K CB 0.488 32.863 32.500 -0.209 0.000 1.128 455 K HN 0.300 nan 8.250 nan 0.000 0.460 456 F N 2.637 122.561 119.950 -0.043 0.000 2.379 456 F HA 0.332 4.893 4.527 0.056 0.000 0.332 456 F C 0.868 176.667 175.800 -0.002 0.000 1.096 456 F CA -0.667 57.315 58.000 -0.030 0.000 1.105 456 F CB 1.065 40.063 39.000 -0.003 0.000 1.189 456 F HN 0.520 nan 8.300 nan 0.000 0.515 457 N N 1.440 120.261 118.700 0.201 0.000 2.648 457 N HA 0.480 5.254 4.740 0.056 0.000 0.272 457 N C -0.982 174.580 175.510 0.088 0.000 1.118 457 N CA -0.021 53.100 53.050 0.119 0.000 0.973 457 N CB 1.655 40.186 38.487 0.073 0.000 1.565 457 N HN 0.958 nan 8.380 nan 0.000 0.542 458 G N 0.579 109.423 108.800 0.072 0.000 2.317 458 G HA2 0.026 4.019 3.960 0.056 0.000 0.445 458 G HA3 0.026 4.019 3.960 0.056 0.000 0.445 458 G C -1.277 173.641 174.900 0.029 0.000 1.486 458 G CA -0.678 44.449 45.100 0.045 0.000 0.991 458 G HN 0.383 nan 8.290 nan 0.000 0.660 459 V N 1.796 121.719 119.914 0.016 0.000 2.452 459 V HA 0.360 4.514 4.120 0.056 0.000 0.286 459 V C 1.888 177.977 176.094 -0.009 0.000 0.995 459 V CA 2.238 64.539 62.300 0.002 0.000 1.116 459 V CB 0.218 32.041 31.823 -0.001 0.000 0.954 459 V HN 2.721 nan 8.190 nan 0.000 0.473 460 G N 3.923 112.710 108.800 -0.022 0.000 2.179 460 G HA2 -0.168 3.826 3.960 0.056 0.000 0.260 460 G HA3 -0.168 3.826 3.960 0.056 0.000 0.260 460 G C 0.598 175.456 174.900 -0.070 0.000 0.977 460 G CA -0.139 44.934 45.100 -0.045 0.000 0.641 460 G HN 1.426 nan 8.290 nan 0.000 0.533 461 G N 0.053 108.823 108.800 -0.050 0.000 2.272 461 G HA2 0.625 4.619 3.960 0.056 0.000 0.247 461 G HA3 0.625 4.619 3.960 0.056 0.000 0.247 461 G C 0.726 175.397 174.900 -0.382 0.000 1.272 461 G CA 1.336 46.386 45.100 -0.083 0.000 0.921 461 G HN 1.696 nan 8.290 nan 0.000 0.495 462 G N -0.048 108.311 108.800 -0.734 0.000 2.356 462 G HA2 0.750 4.743 3.960 0.056 0.000 0.281 462 G HA3 0.750 4.743 3.960 0.056 0.000 0.281 462 G C -1.223 173.289 174.900 -0.647 0.000 1.246 462 G CA 0.145 44.562 45.100 -1.138 0.000 0.889 462 G HN 1.899 nan 8.290 nan 0.000 0.486 463 A N -1.347 121.350 122.820 -0.204 0.000 2.574 463 A HA 0.764 5.117 4.320 0.056 0.000 0.297 463 A C -1.379 176.331 177.584 0.209 0.000 1.062 463 A CA -0.377 51.728 52.037 0.113 0.000 0.686 463 A CB 1.836 21.065 19.000 0.383 0.000 1.285 463 A HN 1.708 nan 8.150 nan 0.000 0.403 464 V N 1.469 121.511 119.914 0.213 0.000 2.409 464 V HA 0.392 4.546 4.120 0.056 0.000 0.291 464 V C -1.019 175.300 176.094 0.376 0.000 1.020 464 V CA -0.457 62.017 62.300 0.290 0.000 0.848 464 V CB 1.399 33.282 31.823 0.099 0.000 0.990 464 V HN 0.827 nan 8.190 nan 0.000 0.430 465 W N 8.544 130.015 121.300 0.285 0.000 2.317 465 W HA 0.462 5.156 4.660 0.057 0.000 0.327 465 W C -2.412 174.243 176.519 0.226 0.000 1.036 465 W CA -3.173 54.336 57.345 0.273 0.000 1.419 465 W CB 0.989 30.661 29.460 0.352 0.000 1.253 465 W HN 0.371 nan 8.180 nan 0.000 0.392 466 P HA -0.074 nan 4.420 nan 0.000 0.261 466 P C 0.362 177.655 177.300 -0.012 0.000 1.183 466 P CA 0.634 63.799 63.100 0.108 0.000 0.761 466 P CB 1.230 32.950 31.700 0.033 0.000 0.785 467 V N 4.233 124.107 119.914 -0.066 0.000 4.262 467 V HA 0.157 4.310 4.120 0.056 0.000 0.188 467 V C 2.287 178.279 176.094 -0.170 0.000 1.073 467 V CA 1.148 63.332 62.300 -0.194 0.000 1.445 467 V CB -1.269 30.317 31.823 -0.396 0.000 1.904 467 V HN 0.417 nan 8.190 nan 0.000 0.449 468 A N -0.124 122.605 122.820 -0.151 0.000 1.978 468 A HA -0.204 4.150 4.320 0.056 0.000 0.220 468 A C 2.139 179.668 177.584 -0.091 0.000 1.170 468 A CA 1.837 53.803 52.037 -0.119 0.000 0.636 468 A CB -0.667 18.276 19.000 -0.094 0.000 0.810 468 A HN 0.511 nan 8.150 nan 0.000 0.448 469 R N -0.727 119.734 120.500 -0.065 0.000 2.249 469 R HA -0.159 4.214 4.340 0.056 0.000 0.230 469 R C 2.170 178.432 176.300 -0.063 0.000 1.121 469 R CA 1.196 57.262 56.100 -0.055 0.000 0.997 469 R CB -0.268 30.003 30.300 -0.048 0.000 0.867 469 R HN 0.699 nan 8.270 nan 0.000 0.465 470 Q N -0.473 119.273 119.800 -0.090 0.000 2.248 470 Q HA -0.155 4.219 4.340 0.056 0.000 0.208 470 Q C 1.111 177.059 176.000 -0.087 0.000 0.984 470 Q CA 1.271 57.010 55.803 -0.107 0.000 0.875 470 Q CB 0.040 28.671 28.738 -0.180 0.000 0.910 470 Q HN 0.555 nan 8.270 nan 0.000 0.433 471 G N -0.566 108.183 108.800 -0.086 0.000 2.754 471 G HA2 -0.412 3.582 3.960 0.056 0.000 0.241 471 G HA3 -0.412 3.582 3.960 0.056 0.000 0.241 471 G C 0.317 175.169 174.900 -0.079 0.000 1.281 471 G CA 0.279 45.337 45.100 -0.070 0.000 0.971 471 G HN 0.335 nan 8.290 nan 0.000 0.569 472 Q N 0.108 119.871 119.800 -0.061 0.000 1.941 472 Q HA 0.063 4.437 4.340 0.056 0.000 0.201 472 Q C 1.115 177.058 176.000 -0.095 0.000 0.982 472 Q CA 1.859 57.626 55.803 -0.060 0.000 0.839 472 Q CB -0.379 28.345 28.738 -0.024 0.000 0.904 472 Q HN 0.624 nan 8.270 nan 0.000 0.427 473 T N 2.143 116.646 114.554 -0.085 0.000 2.814 473 T HA 0.263 4.647 4.350 0.056 0.000 0.297 473 T C -0.540 174.007 174.700 -0.255 0.000 0.956 473 T CA -0.025 61.963 62.100 -0.187 0.000 1.123 473 T CB 0.456 69.267 68.868 -0.095 0.000 0.902 473 T HN 0.190 nan 8.240 nan 0.000 0.528 474 R N 3.124 123.414 120.500 -0.349 0.000 2.423 474 R HA 0.283 4.657 4.340 0.056 0.000 0.293 474 R C 1.129 177.212 176.300 -0.362 0.000 1.196 474 R CA -0.505 55.411 56.100 -0.306 0.000 1.262 474 R CB 0.791 30.945 30.300 -0.243 0.000 1.116 474 R HN 0.533 nan 8.270 nan 0.000 0.566 475 R N 0.465 120.750 120.500 -0.359 0.000 2.237 475 R HA -0.077 4.296 4.340 0.056 0.000 0.219 475 R C 0.542 176.817 176.300 -0.041 0.000 1.080 475 R CA 1.266 57.186 56.100 -0.300 0.000 0.995 475 R CB 0.245 30.382 30.300 -0.272 0.000 0.875 475 R HN 0.587 nan 8.270 nan 0.000 0.462 476 Y N -0.748 119.371 120.300 -0.302 0.000 2.658 476 Y HA 0.022 4.606 4.550 0.056 0.000 0.276 476 Y C 1.647 177.133 175.900 -0.690 0.000 1.167 476 Y CA -0.769 57.008 58.100 -0.539 0.000 1.230 476 Y CB 0.650 38.747 38.460 -0.606 0.000 1.144 476 Y HN 0.001 nan 8.280 nan 0.000 0.529 477 Q N 1.540 121.200 119.800 -0.233 0.000 2.325 477 Q HA -0.232 4.142 4.340 0.056 0.000 0.211 477 Q C 1.576 177.486 176.000 -0.151 0.000 0.988 477 Q CA 2.100 57.783 55.803 -0.199 0.000 0.887 477 Q CB -0.740 27.904 28.738 -0.156 0.000 0.915 477 Q HN 0.690 nan 8.270 nan 0.000 0.440 478 F N -1.324 118.595 119.950 -0.051 0.000 2.075 478 F HA -0.010 4.550 4.527 0.056 0.000 0.297 478 F C 2.090 177.938 175.800 0.080 0.000 1.113 478 F CA 0.958 58.962 58.000 0.007 0.000 1.218 478 F CB -1.320 37.672 39.000 -0.013 0.000 0.984 478 F HN 0.063 nan 8.300 nan 0.000 0.472 479 A N 1.631 124.112 122.820 -0.566 0.000 2.016 479 A HA -0.366 3.988 4.320 0.056 0.000 0.225 479 A C 1.973 179.654 177.584 0.162 0.000 1.230 479 A CA 2.444 54.418 52.037 -0.104 0.000 0.678 479 A CB -1.339 17.331 19.000 -0.551 0.000 0.826 479 A HN 0.699 nan 8.150 nan 0.000 0.484 480 N N -2.535 116.184 118.700 0.032 0.000 2.381 480 N HA -0.109 4.664 4.740 0.056 0.000 0.182 480 N C 1.450 177.066 175.510 0.176 0.000 1.025 480 N CA 1.607 54.704 53.050 0.078 0.000 0.888 480 N CB -0.318 38.178 38.487 0.016 0.000 0.965 480 N HN 0.784 nan 8.380 nan 0.000 0.438 481 Y N 1.592 121.941 120.300 0.080 0.000 2.265 481 Y HA 0.124 4.708 4.550 0.057 0.000 0.290 481 Y C 0.706 176.667 175.900 0.102 0.000 1.137 481 Y CA 0.598 58.739 58.100 0.069 0.000 1.147 481 Y CB 0.406 38.892 38.460 0.044 0.000 1.104 481 Y HN -0.122 nan 8.280 nan 0.000 0.514 482 R N 0.070 120.641 120.500 0.119 0.000 2.707 482 R HA 0.459 4.833 4.340 0.056 0.000 0.272 482 R C -1.892 174.588 176.300 0.301 0.000 1.011 482 R CA -0.557 55.555 56.100 0.020 0.000 0.893 482 R CB 1.737 31.944 30.300 -0.155 0.000 1.233 482 R HN 0.303 nan 8.270 nan 0.000 0.464 483 F N -1.800 118.211 119.950 0.101 0.000 2.741 483 F HA 0.688 5.248 4.527 0.056 0.000 0.313 483 F C -1.721 174.108 175.800 0.048 0.000 1.153 483 F CA -0.828 57.267 58.000 0.158 0.000 0.931 483 F CB 2.126 41.282 39.000 0.260 0.000 1.335 483 F HN 0.426 nan 8.300 nan 0.000 0.460 484 T N 3.206 117.876 114.554 0.193 0.000 2.985 484 T HA 0.520 4.904 4.350 0.056 0.000 0.315 484 T C -1.768 173.051 174.700 0.198 0.000 1.001 484 T CA -0.265 61.861 62.100 0.043 0.000 1.016 484 T CB 1.092 69.925 68.868 -0.058 0.000 0.993 484 T HN 0.760 nan 8.240 nan 0.000 0.454 485 L N 5.413 126.751 121.223 0.192 0.000 2.307 485 L HA 0.834 5.208 4.340 0.056 0.000 0.284 485 L C -0.944 175.937 176.870 0.018 0.000 1.023 485 L CA -0.384 54.484 54.840 0.046 0.000 0.810 485 L CB 1.224 43.233 42.059 -0.082 0.000 1.231 485 L HN 0.424 nan 8.230 nan 0.000 0.423 486 V N 3.913 123.840 119.914 0.021 0.000 2.823 486 V HA 1.014 5.168 4.120 0.056 0.000 0.312 486 V C -0.362 175.711 176.094 -0.035 0.000 1.072 486 V CA -0.236 62.040 62.300 -0.040 0.000 0.937 486 V CB 1.443 33.280 31.823 0.022 0.000 1.013 486 V HN 1.039 nan 8.190 nan 0.000 0.430 487 A N 1.953 124.701 122.820 -0.119 0.000 2.599 487 A HA 0.754 5.107 4.320 0.056 0.000 0.294 487 A C -0.696 176.876 177.584 -0.020 0.000 1.055 487 A CA -0.555 51.473 52.037 -0.015 0.000 0.683 487 A CB 1.720 20.740 19.000 0.033 0.000 1.278 487 A HN 0.647 nan 8.150 nan 0.000 0.412 488 T N 1.562 116.175 114.554 0.098 0.000 2.795 488 T HA 0.655 5.038 4.350 0.056 0.000 0.282 488 T C 0.080 174.868 174.700 0.147 0.000 0.980 488 T CA -0.018 62.173 62.100 0.152 0.000 1.012 488 T CB 0.909 69.894 68.868 0.194 0.000 0.936 488 T HN 1.727 nan 8.240 nan 0.000 0.457 489 V N 0.422 120.431 119.914 0.159 0.000 3.160 489 V HA 1.010 5.164 4.120 0.056 0.000 0.310 489 V C -0.460 175.724 176.094 0.150 0.000 1.181 489 V CA -1.183 61.203 62.300 0.144 0.000 1.047 489 V CB 1.934 33.838 31.823 0.135 0.000 1.068 489 V HN 0.957 nan 8.190 nan 0.000 0.441 490 T N -1.119 113.488 114.554 0.089 0.000 2.916 490 T HA 0.775 5.158 4.350 0.056 0.000 0.305 490 T C -0.912 173.739 174.700 -0.082 0.000 1.119 490 T CA -0.470 61.670 62.100 0.066 0.000 1.008 490 T CB 1.677 70.595 68.868 0.083 0.000 1.129 490 T HN 0.727 nan 8.240 nan 0.000 0.480 491 I N 2.713 123.151 120.570 -0.219 0.000 2.304 491 I HA 0.265 4.469 4.170 0.056 0.000 0.291 491 I C 0.473 176.478 176.117 -0.186 0.000 1.018 491 I CA -0.529 60.509 61.300 -0.436 0.000 1.260 491 I CB 1.105 38.471 38.000 -1.058 0.000 1.390 491 I HN 0.704 nan 8.210 nan 0.000 0.475 492 D N 4.493 124.850 120.400 -0.071 0.000 2.213 492 D HA 0.023 4.696 4.640 0.056 0.000 0.205 492 D C 0.219 176.556 176.300 0.062 0.000 0.961 492 D CA 1.184 55.223 54.000 0.065 0.000 0.853 492 D CB 0.363 41.223 40.800 0.099 0.000 0.967 492 D HN 0.556 nan 8.370 nan 0.000 0.496 493 E N -0.166 120.070 120.200 0.060 0.000 2.343 493 E HA 0.254 4.638 4.350 0.056 0.000 0.278 493 E C -1.050 175.649 176.600 0.166 0.000 0.910 493 E CA -0.802 55.659 56.400 0.102 0.000 0.757 493 E CB 2.316 32.085 29.700 0.115 0.000 1.218 493 E HN -0.201 nan 8.360 nan 0.000 0.435 494 L N 3.133 124.457 121.223 0.169 0.000 2.461 494 L HA 0.289 4.663 4.340 0.056 0.000 0.272 494 L C -1.890 175.103 176.870 0.204 0.000 1.197 494 L CA -1.682 53.302 54.840 0.239 0.000 0.836 494 L CB -0.906 41.241 42.059 0.147 0.000 1.105 494 L HN 0.445 nan 8.230 nan 0.000 0.477 495 P HA 0.202 nan 4.420 nan 0.000 0.290 495 P C 0.316 177.635 177.300 0.032 0.000 1.276 495 P CA -0.695 62.452 63.100 0.078 0.000 0.808 495 P CB 1.226 32.878 31.700 -0.080 0.000 0.966 496 K N 1.425 121.832 120.400 0.013 0.000 2.127 496 K HA -0.137 4.217 4.320 0.056 0.000 0.208 496 K C 1.218 177.811 176.600 -0.011 0.000 1.047 496 K CA 2.180 58.469 56.287 0.003 0.000 0.927 496 K CB -0.259 32.239 32.500 -0.002 0.000 0.716 496 K HN 0.759 nan 8.250 nan 0.000 0.450 497 G N -1.499 107.282 108.800 -0.031 0.000 3.385 497 G HA2 0.122 4.115 3.960 0.056 0.000 0.179 497 G HA3 0.122 4.115 3.960 0.056 0.000 0.179 497 G C -0.816 174.042 174.900 -0.070 0.000 1.433 497 G CA -0.323 44.754 45.100 -0.039 0.000 1.086 497 G HN 0.127 nan 8.290 nan 0.000 0.763 498 T N 1.133 115.631 114.554 -0.094 0.000 2.779 498 T HA 0.713 5.097 4.350 0.056 0.000 0.280 498 T C -0.706 173.857 174.700 -0.228 0.000 0.987 498 T CA -0.058 61.954 62.100 -0.147 0.000 0.966 498 T CB 1.586 70.409 68.868 -0.075 0.000 0.933 498 T HN 0.291 nan 8.240 nan 0.000 0.442 499 S N 2.859 118.281 115.700 -0.463 0.000 2.638 499 S HA 0.722 5.226 4.470 0.056 0.000 0.302 499 S C -2.628 171.794 174.600 -0.298 0.000 1.096 499 S CA -1.608 56.348 58.200 -0.407 0.000 0.953 499 S CB 1.572 64.497 63.200 -0.459 0.000 1.107 499 S HN 0.389 nan 8.310 nan 0.000 0.503 500 P HA 0.316 nan 4.420 nan 0.000 0.285 500 P C -0.058 177.456 177.300 0.357 0.000 1.259 500 P CA -0.412 62.779 63.100 0.153 0.000 0.794 500 P CB 0.857 32.580 31.700 0.038 0.000 0.940 501 L N 3.796 125.272 121.223 0.420 0.000 2.526 501 L HA 0.539 4.913 4.340 0.056 0.000 0.210 501 L C -0.496 176.540 176.870 0.277 0.000 1.048 501 L CA 0.929 55.994 54.840 0.374 0.000 0.852 501 L CB 0.065 42.337 42.059 0.355 0.000 1.128 501 L HN 0.253 nan 8.230 nan 0.000 0.482 502 L N -0.236 121.101 121.223 0.190 0.000 2.666 502 L HA 0.722 5.096 4.340 0.056 0.000 0.259 502 L C -0.791 175.844 176.870 -0.392 0.000 0.919 502 L CA 0.510 55.319 54.840 -0.051 0.000 0.927 502 L CB 1.374 43.432 42.059 -0.002 0.000 1.423 502 L HN 0.206 nan 8.230 nan 0.000 0.426 503 G N 2.477 110.661 108.800 -1.025 0.000 2.550 503 G HA2 0.801 4.795 3.960 0.056 0.000 0.293 503 G HA3 0.801 4.795 3.960 0.056 0.000 0.293 503 G C -2.057 172.461 174.900 -0.637 0.000 1.402 503 G CA -0.148 44.352 45.100 -1.001 0.000 0.784 503 G HN 0.971 nan 8.290 nan 0.000 0.482 504 A N -0.517 122.159 122.820 -0.239 0.000 2.311 504 A HA 0.862 5.215 4.320 0.056 0.000 0.306 504 A C 0.258 177.772 177.584 -0.116 0.000 1.189 504 A CA 0.092 51.999 52.037 -0.217 0.000 0.791 504 A CB 1.104 19.988 19.000 -0.194 0.000 1.172 504 A HN 1.780 nan 8.150 nan 0.000 0.481 505 G N 1.628 110.322 108.800 -0.177 0.000 2.420 505 G HA2 0.541 4.535 3.960 0.056 0.000 0.331 505 G HA3 0.541 4.535 3.960 0.056 0.000 0.331 505 G C -0.539 174.301 174.900 -0.101 0.000 1.168 505 G CA -0.578 44.492 45.100 -0.051 0.000 0.936 505 G HN 0.542 nan 8.290 nan 0.000 0.479 506 L N 2.040 123.247 121.223 -0.026 0.000 2.331 506 L HA 0.248 4.622 4.340 0.056 0.000 0.278 506 L C 0.632 177.505 176.870 0.004 0.000 1.106 506 L CA -0.377 54.451 54.840 -0.020 0.000 0.824 506 L CB 1.133 43.191 42.059 -0.002 0.000 1.142 506 L HN 0.489 nan 8.230 nan 0.000 0.443 507 E N 2.149 122.345 120.200 -0.005 0.000 2.467 507 E HA 0.339 4.722 4.350 0.056 0.000 0.264 507 E C 0.485 177.085 176.600 0.001 0.000 1.020 507 E CA 0.607 57.008 56.400 0.001 0.000 0.945 507 E CB 0.764 30.453 29.700 -0.017 0.000 0.942 507 E HN 0.820 nan 8.360 nan 0.000 0.449 508 G N 2.813 111.614 108.800 0.002 0.000 2.406 508 G HA2 -0.035 3.958 3.960 0.056 0.000 0.680 508 G HA3 -0.035 3.958 3.960 0.056 0.000 0.680 508 G C -2.637 172.264 174.900 0.002 0.000 1.338 508 G CA -0.779 44.321 45.100 0.000 0.000 0.941 508 G HN 0.476 nan 8.290 nan 0.000 0.633 509 P HA 0.578 nan 4.420 nan 0.000 0.271 509 P C 0.963 178.263 177.300 0.000 0.000 1.218 509 P CA 1.419 64.519 63.100 -0.001 0.000 0.780 509 P CB 1.116 32.815 31.700 -0.002 0.000 0.901 510 G N 2.586 111.385 108.800 -0.002 0.000 2.464 510 G HA2 -0.101 3.893 3.960 0.056 0.000 0.216 510 G HA3 -0.101 3.893 3.960 0.056 0.000 0.216 510 G C -1.008 173.890 174.900 -0.004 0.000 1.186 510 G CA 0.191 45.290 45.100 -0.003 0.000 1.010 510 G HN 0.763 nan 8.290 nan 0.000 0.585 511 D N -0.432 119.966 120.400 -0.003 0.000 2.992 511 D HA 0.611 5.284 4.640 0.056 0.000 0.372 511 D C 0.499 176.800 176.300 0.001 0.000 1.374 511 D CA 0.722 54.717 54.000 -0.009 0.000 0.769 511 D CB 0.064 40.850 40.800 -0.022 0.000 1.215 511 D HN 1.269 nan 8.370 nan 0.000 0.473 512 A N 0.707 123.534 122.820 0.012 0.000 2.351 512 A HA 0.595 4.949 4.320 0.056 0.000 0.257 512 A C 0.073 177.678 177.584 0.035 0.000 1.087 512 A CA -0.200 51.850 52.037 0.021 0.000 0.798 512 A CB 0.643 19.655 19.000 0.019 0.000 1.033 512 A HN 0.189 nan 8.150 nan 0.000 0.488 513 K N 0.777 121.208 120.400 0.051 0.000 2.375 513 K HA 0.448 4.801 4.320 0.056 0.000 0.249 513 K C 0.388 177.026 176.600 0.063 0.000 0.942 513 K CA -0.747 55.589 56.287 0.080 0.000 0.806 513 K CB 1.832 34.419 32.500 0.145 0.000 1.227 513 K HN 0.439 nan 8.250 nan 0.000 0.430 514 L N 2.076 123.335 121.223 0.059 0.000 2.034 514 L HA 0.312 4.686 4.340 0.056 0.000 0.203 514 L C -0.253 176.675 176.870 0.097 0.000 1.074 514 L CA 1.513 56.400 54.840 0.078 0.000 0.748 514 L CB 0.006 42.124 42.059 0.097 0.000 0.905 514 L HN 0.632 nan 8.230 nan 0.000 0.439 515 L N -1.096 120.197 121.223 0.117 0.000 2.465 515 L HA 0.804 5.177 4.340 0.056 0.000 0.257 515 L C -0.778 176.123 176.870 0.051 0.000 0.988 515 L CA 0.448 55.331 54.840 0.071 0.000 0.827 515 L CB 1.837 43.970 42.059 0.123 0.000 1.397 515 L HN 0.207 nan 8.230 nan 0.000 0.410 516 G N 2.045 110.820 108.800 -0.042 0.000 2.368 516 G HA2 0.514 4.508 3.960 0.056 0.000 0.293 516 G HA3 0.514 4.508 3.960 0.056 0.000 0.293 516 G C -2.804 172.064 174.900 -0.053 0.000 1.467 516 G CA -0.358 44.720 45.100 -0.036 0.000 0.804 516 G HN 1.028 nan 8.290 nan 0.000 0.535 517 L N 0.241 121.470 121.223 0.010 0.000 2.386 517 L HA 0.932 5.306 4.340 0.056 0.000 0.271 517 L C -0.203 176.789 176.870 0.203 0.000 0.993 517 L CA -0.346 54.528 54.840 0.057 0.000 0.819 517 L CB 2.108 44.162 42.059 -0.010 0.000 1.294 517 L HN 0.683 nan 8.230 nan 0.000 0.414 518 S N 2.152 118.002 115.700 0.251 0.000 2.704 518 S HA 0.785 5.289 4.470 0.056 0.000 0.296 518 S C -1.561 173.297 174.600 0.430 0.000 1.138 518 S CA -0.363 58.018 58.200 0.301 0.000 0.875 518 S CB 1.651 64.933 63.200 0.136 0.000 1.151 518 S HN 0.626 nan 8.310 nan 0.000 0.500 519 Y N -0.346 120.049 120.300 0.159 0.000 2.545 519 Y HA 0.832 5.416 4.550 0.056 0.000 0.348 519 Y C -0.974 175.040 175.900 0.190 0.000 1.002 519 Y CA -1.200 56.997 58.100 0.161 0.000 1.039 519 Y CB 0.986 39.360 38.460 -0.144 0.000 1.271 519 Y HN 0.685 nan 8.280 nan 0.000 0.467 520 D N -0.038 120.527 120.400 0.275 0.000 2.585 520 D HA 0.219 4.893 4.640 0.056 0.000 0.254 520 D C 0.418 176.781 176.300 0.105 0.000 1.067 520 D CA -1.073 52.977 54.000 0.085 0.000 1.090 520 D CB 1.394 42.213 40.800 0.033 0.000 1.408 520 D HN 0.714 nan 8.370 nan 0.000 0.554 521 K N -0.442 119.972 120.400 0.023 0.000 2.281 521 K HA -0.142 4.212 4.320 0.056 0.000 0.203 521 K C 0.378 176.938 176.600 -0.065 0.000 1.046 521 K CA 1.050 57.339 56.287 0.003 0.000 0.938 521 K CB -0.360 32.134 32.500 -0.010 0.000 0.737 521 K HN 0.167 nan 8.250 nan 0.000 0.458 522 N N 0.943 119.580 118.700 -0.104 0.000 2.412 522 N HA 0.039 4.813 4.740 0.056 0.000 0.184 522 N C -0.429 174.867 175.510 -0.357 0.000 1.101 522 N CA 0.259 53.204 53.050 -0.175 0.000 0.881 522 N CB 0.203 38.616 38.487 -0.124 0.000 0.969 522 N HN 0.236 nan 8.380 nan 0.000 0.459 523 R N -0.140 120.026 120.500 -0.557 0.000 3.644 523 R HA -0.134 4.240 4.340 0.056 0.000 0.308 523 R C -0.643 174.847 176.300 -1.350 0.000 1.161 523 R CA 0.453 55.710 56.100 -1.405 0.000 0.819 523 R CB -1.900 27.622 30.300 -1.296 0.000 1.363 523 R HN 0.377 nan 8.270 nan 0.000 0.479 524 Q N -0.637 118.797 119.800 -0.609 0.000 2.306 524 Q HA 0.408 4.782 4.340 0.056 0.000 0.269 524 Q C -0.420 175.626 176.000 0.076 0.000 1.053 524 Q CA -0.720 54.914 55.803 -0.281 0.000 0.879 524 Q CB 1.198 29.887 28.738 -0.080 0.000 1.344 524 Q HN 0.129 nan 8.270 nan 0.000 0.464 525 W N 0.523 122.001 121.300 0.296 0.000 2.438 525 W HA 0.463 5.157 4.660 0.057 0.000 0.324 525 W C 0.096 176.702 176.519 0.145 0.000 1.119 525 W CA -0.547 56.956 57.345 0.263 0.000 1.221 525 W CB 1.031 30.584 29.460 0.156 0.000 1.253 525 W HN 0.234 nan 8.180 nan 0.000 0.555 526 R N 3.494 124.217 120.500 0.371 0.000 2.363 526 R HA 0.271 4.645 4.340 0.056 0.000 0.297 526 R C -2.505 173.872 176.300 0.128 0.000 1.208 526 R CA -1.708 54.514 56.100 0.204 0.000 1.121 526 R CB 0.958 31.343 30.300 0.142 0.000 1.124 526 R HN 0.091 nan 8.270 nan 0.000 0.561 527 P HA 0.125 nan 4.420 nan 0.000 0.279 527 P C -0.850 176.262 177.300 -0.313 0.000 1.239 527 P CA -0.217 62.769 63.100 -0.191 0.000 0.789 527 P CB 1.074 32.603 31.700 -0.286 0.000 0.933 528 L N 3.589 124.586 121.223 -0.377 0.000 2.305 528 L HA 0.448 4.822 4.340 0.056 0.000 0.284 528 L C -0.371 176.273 176.870 -0.376 0.000 1.013 528 L CA -0.761 53.932 54.840 -0.243 0.000 0.819 528 L CB 0.728 42.756 42.059 -0.053 0.000 1.227 528 L HN 0.310 nan 8.230 nan 0.000 0.417 529 Y N 2.309 122.630 120.300 0.034 0.000 2.721 529 Y HA 0.545 5.128 4.550 0.056 0.000 0.328 529 Y C 1.234 177.148 175.900 0.023 0.000 1.003 529 Y CA -0.162 57.949 58.100 0.019 0.000 1.275 529 Y CB 1.332 39.791 38.460 -0.000 0.000 1.097 529 Y HN 0.923 nan 8.280 nan 0.000 0.514 530 G N 1.992 110.871 108.800 0.131 0.000 2.614 530 G HA2 -0.366 3.628 3.960 0.056 0.000 0.303 530 G HA3 -0.366 3.628 3.960 0.056 0.000 0.303 530 G C 1.128 176.077 174.900 0.082 0.000 1.270 530 G CA 0.428 45.585 45.100 0.094 0.000 0.988 530 G HN 0.909 nan 8.290 nan 0.000 0.551 531 A N 0.276 123.137 122.820 0.068 0.000 2.251 531 A HA 0.693 5.047 4.320 0.056 0.000 0.209 531 A C 1.649 179.269 177.584 0.061 0.000 1.187 531 A CA 1.674 53.744 52.037 0.055 0.000 0.823 531 A CB -0.659 18.364 19.000 0.039 0.000 0.846 531 A HN 2.360 nan 8.150 nan 0.000 0.486 532 A N 1.713 124.584 122.820 0.085 0.000 2.483 532 A HA 0.488 4.841 4.320 0.056 0.000 0.238 532 A C -2.046 175.592 177.584 0.091 0.000 1.070 532 A CA -0.958 51.131 52.037 0.086 0.000 0.770 532 A CB -0.274 18.790 19.000 0.107 0.000 1.008 532 A HN 0.324 nan 8.150 nan 0.000 0.497 533 P HA 0.310 nan 4.420 nan 0.000 0.276 533 P C 0.027 177.376 177.300 0.081 0.000 1.235 533 P CA 0.156 63.293 63.100 0.062 0.000 0.772 533 P CB 0.784 32.511 31.700 0.045 0.000 0.871 534 A N 4.068 126.931 122.820 0.071 0.000 2.586 534 A HA 0.346 4.700 4.320 0.056 0.000 0.231 534 A C 0.379 178.011 177.584 0.080 0.000 1.055 534 A CA 0.466 52.551 52.037 0.079 0.000 0.756 534 A CB -0.492 18.544 19.000 0.059 0.000 0.988 534 A HN 0.632 nan 8.150 nan 0.000 0.509 535 S N 1.963 117.722 115.700 0.098 0.000 2.649 535 S HA 0.555 5.059 4.470 0.056 0.000 0.274 535 S C -3.027 171.631 174.600 0.097 0.000 1.176 535 S CA -1.193 57.056 58.200 0.082 0.000 0.988 535 S CB 1.300 64.545 63.200 0.076 0.000 1.071 535 S HN 0.525 nan 8.310 nan 0.000 0.478 536 P HA 0.231 nan 4.420 nan 0.000 0.264 536 P C -0.306 177.055 177.300 0.101 0.000 1.173 536 P CA 0.580 63.733 63.100 0.089 0.000 0.761 536 P CB 0.416 32.144 31.700 0.045 0.000 0.794 537 T N 0.941 115.581 114.554 0.143 0.000 3.012 537 T HA 0.566 4.950 4.350 0.056 0.000 0.330 537 T C -0.150 174.670 174.700 0.200 0.000 1.321 537 T CA 0.545 62.733 62.100 0.146 0.000 1.067 537 T CB 0.663 69.622 68.868 0.151 0.000 1.235 537 T HN 0.758 nan 8.240 nan 0.000 0.479 538 G N 2.571 111.459 108.800 0.147 0.000 2.593 538 G HA2 0.134 4.128 3.960 0.056 0.000 0.237 538 G HA3 0.134 4.128 3.960 0.056 0.000 0.237 538 G C -0.201 174.732 174.900 0.055 0.000 1.312 538 G CA 0.170 45.372 45.100 0.170 0.000 0.896 538 G HN 1.686 nan 8.290 nan 0.000 0.574 539 S N -0.521 115.217 115.700 0.063 0.000 2.537 539 S HA 0.725 5.229 4.470 0.056 0.000 0.271 539 S C -1.269 173.316 174.600 -0.025 0.000 1.148 539 S CA 0.402 58.524 58.200 -0.130 0.000 0.868 539 S CB 0.894 64.054 63.200 -0.067 0.000 1.115 539 S HN 1.857 nan 8.310 nan 0.000 0.461 540 W N 0.619 121.791 121.300 -0.212 0.000 3.118 540 W HA 0.789 5.483 4.660 0.056 0.000 0.328 540 W C -1.072 175.428 176.519 -0.032 0.000 1.239 540 W CA -0.479 56.747 57.345 -0.198 0.000 1.176 540 W CB 0.775 29.697 29.460 -0.896 0.000 1.433 540 W HN 0.832 nan 8.180 nan 0.000 0.562 541 E N 3.091 123.685 120.200 0.656 0.000 2.186 541 E HA 0.457 4.841 4.350 0.056 0.000 0.255 541 E C -0.456 176.430 176.600 0.477 0.000 0.881 541 E CA -0.967 55.664 56.400 0.385 0.000 0.752 541 E CB 1.471 31.316 29.700 0.243 0.000 1.176 541 E HN 0.586 nan 8.360 nan 0.000 0.421 542 L N 2.216 123.716 121.223 0.462 0.000 2.903 542 L HA -0.209 4.164 4.340 0.056 0.000 0.325 542 L C 1.076 177.933 176.870 -0.022 0.000 1.225 542 L CA 2.189 57.107 54.840 0.129 0.000 0.851 542 L CB -0.159 41.791 42.059 -0.180 0.000 1.136 542 L HN 1.200 nan 8.230 nan 0.000 0.534 543 H N -1.294 117.862 119.070 0.143 0.000 4.456 543 H HA -0.206 4.383 4.556 0.056 0.000 0.114 543 H C 0.583 175.939 175.328 0.047 0.000 0.650 543 H CA 1.346 57.441 56.048 0.078 0.000 1.225 543 H CB -0.672 29.130 29.762 0.067 0.000 0.616 543 H HN 0.519 nan 8.280 nan 0.000 0.613 544 K N 2.660 123.148 120.400 0.147 0.000 2.270 544 K HA 0.515 4.868 4.320 0.056 0.000 0.276 544 K C 0.021 176.493 176.600 -0.213 0.000 1.023 544 K CA 0.531 56.793 56.287 -0.042 0.000 0.955 544 K CB 0.754 33.220 32.500 -0.056 0.000 0.975 544 K HN 0.336 nan 8.250 nan 0.000 0.471 545 K N 3.897 124.172 120.400 -0.209 0.000 2.349 545 K HA 0.235 4.589 4.320 0.056 0.000 0.288 545 K C -1.138 175.332 176.600 -0.217 0.000 1.058 545 K CA 0.173 56.389 56.287 -0.118 0.000 0.953 545 K CB -0.334 32.167 32.500 0.001 0.000 0.997 545 K HN 0.572 nan 8.250 nan 0.000 0.477 546 Y N -0.027 120.382 120.300 0.182 0.000 2.446 546 Y HA 0.364 4.947 4.550 0.056 0.000 0.338 546 Y C 0.324 176.335 175.900 0.184 0.000 1.055 546 Y CA -0.825 57.392 58.100 0.195 0.000 1.101 546 Y CB 2.090 40.680 38.460 0.218 0.000 1.221 546 Y HN 0.792 nan 8.280 nan 0.000 0.460 547 H N 1.906 121.121 119.070 0.242 0.000 2.690 547 H HA 0.554 5.144 4.556 0.056 0.000 0.289 547 H C -1.209 174.135 175.328 0.027 0.000 1.089 547 H CA -0.448 55.696 56.048 0.160 0.000 1.299 547 H CB 0.203 30.131 29.762 0.277 0.000 1.405 547 H HN 0.437 nan 8.280 nan 0.000 0.463 548 V N 5.691 125.509 119.914 -0.161 0.000 2.617 548 V HA 0.428 4.582 4.120 0.056 0.000 0.298 548 V C -0.312 175.612 176.094 -0.283 0.000 1.048 548 V CA -0.743 61.432 62.300 -0.207 0.000 0.964 548 V CB 1.711 33.427 31.823 -0.179 0.000 1.004 548 V HN 0.538 nan 8.190 nan 0.000 0.466 549 V N 4.788 124.624 119.914 -0.131 0.000 2.777 549 V HA 0.459 4.612 4.120 0.056 0.000 0.306 549 V C -0.742 175.374 176.094 0.037 0.000 1.112 549 V CA -0.385 61.867 62.300 -0.080 0.000 0.917 549 V CB 1.961 33.726 31.823 -0.097 0.000 1.018 549 V HN 0.670 nan 8.190 nan 0.000 0.426 550 L N 3.118 124.358 121.223 0.028 0.000 2.329 550 L HA 0.771 5.145 4.340 0.056 0.000 0.279 550 L C -0.076 176.766 176.870 -0.047 0.000 1.014 550 L CA -0.287 54.579 54.840 0.043 0.000 0.814 550 L CB 2.185 44.308 42.059 0.107 0.000 1.257 550 L HN 0.595 nan 8.230 nan 0.000 0.424 551 T N 4.460 118.956 114.554 -0.097 0.000 2.879 551 T HA 0.548 4.931 4.350 0.056 0.000 0.290 551 T C -0.964 173.521 174.700 -0.358 0.000 0.993 551 T CA -0.391 61.571 62.100 -0.230 0.000 0.975 551 T CB 1.089 69.953 68.868 -0.007 0.000 0.981 551 T HN 0.389 nan 8.240 nan 0.000 0.439 552 M N 4.562 123.785 119.600 -0.629 0.000 2.124 552 M HA 0.737 5.251 4.480 0.056 0.000 0.280 552 M C -1.605 174.490 176.300 -0.342 0.000 0.954 552 M CA -0.415 54.597 55.300 -0.479 0.000 0.958 552 M CB 0.792 33.042 32.600 -0.583 0.000 1.611 552 M HN 0.762 nan 8.290 nan 0.000 0.449 553 A N 3.285 125.967 122.820 -0.230 0.000 2.583 553 A HA 0.662 5.016 4.320 0.056 0.000 0.289 553 A C -0.413 177.059 177.584 -0.187 0.000 1.151 553 A CA -0.435 51.461 52.037 -0.235 0.000 0.695 553 A CB 0.866 19.734 19.000 -0.221 0.000 1.290 553 A HN 0.839 nan 8.150 nan 0.000 0.419 554 D N 0.243 120.515 120.400 -0.214 0.000 2.733 554 D HA -0.226 4.448 4.640 0.056 0.000 0.228 554 D C 0.349 176.597 176.300 -0.087 0.000 1.182 554 D CA 1.493 55.412 54.000 -0.135 0.000 0.620 554 D CB -0.690 40.055 40.800 -0.093 0.000 1.027 554 D HN 0.702 nan 8.370 nan 0.000 0.415 555 R N -2.257 118.192 120.500 -0.085 0.000 3.989 555 R HA -0.242 4.132 4.340 0.056 0.000 0.377 555 R C 0.282 176.562 176.300 -0.033 0.000 1.158 555 R CA 1.275 57.352 56.100 -0.039 0.000 1.035 555 R CB -1.324 28.966 30.300 -0.016 0.000 1.557 555 R HN 0.476 nan 8.270 nan 0.000 0.551 556 Q N -0.734 119.032 119.800 -0.057 0.000 2.301 556 Q HA 0.681 5.055 4.340 0.056 0.000 0.267 556 Q C 0.246 176.218 176.000 -0.046 0.000 1.035 556 Q CA -0.273 55.501 55.803 -0.048 0.000 0.856 556 Q CB 2.351 31.052 28.738 -0.062 0.000 1.337 556 Q HN 0.234 nan 8.270 nan 0.000 0.450 557 G N 0.087 108.889 108.800 0.003 0.000 2.574 557 G HA2 0.675 4.669 3.960 0.056 0.000 0.299 557 G HA3 0.675 4.669 3.960 0.056 0.000 0.299 557 G C -1.202 173.753 174.900 0.091 0.000 1.298 557 G CA -0.336 44.792 45.100 0.048 0.000 0.952 557 G HN 0.420 nan 8.290 nan 0.000 0.477 558 S N -1.412 114.334 115.700 0.078 0.000 2.550 558 S HA 0.705 5.209 4.470 0.056 0.000 0.270 558 S C -1.074 173.521 174.600 -0.008 0.000 1.145 558 S CA -0.472 57.746 58.200 0.029 0.000 0.852 558 S CB 2.148 65.309 63.200 -0.066 0.000 1.119 558 S HN 0.663 nan 8.310 nan 0.000 0.465 559 V N 2.592 122.427 119.914 -0.131 0.000 2.709 559 V HA 0.569 4.723 4.120 0.056 0.000 0.308 559 V C -1.800 174.115 176.094 -0.300 0.000 1.062 559 V CA -0.619 61.599 62.300 -0.137 0.000 0.901 559 V CB 1.564 33.291 31.823 -0.160 0.000 1.003 559 V HN 0.871 nan 8.190 nan 0.000 0.425 560 Y N 2.594 122.805 120.300 -0.148 0.000 2.393 560 Y HA 0.739 5.323 4.550 0.056 0.000 0.341 560 Y C -0.087 175.664 175.900 -0.249 0.000 0.988 560 Y CA -1.034 56.969 58.100 -0.161 0.000 1.078 560 Y CB 2.146 40.544 38.460 -0.103 0.000 1.203 560 Y HN 0.348 nan 8.280 nan 0.000 0.453 561 V N 2.461 122.284 119.914 -0.151 0.000 2.540 561 V HA 0.279 4.433 4.120 0.056 0.000 0.302 561 V C -0.630 175.379 176.094 -0.141 0.000 1.035 561 V CA -1.301 60.854 62.300 -0.242 0.000 0.873 561 V CB 1.577 33.087 31.823 -0.522 0.000 0.992 561 V HN 0.834 nan 8.190 nan 0.000 0.428 562 D N 3.947 124.243 120.400 -0.172 0.000 2.697 562 D HA -0.190 4.484 4.640 0.056 0.000 0.235 562 D C 1.409 177.269 176.300 -0.735 0.000 1.167 562 D CA 1.722 55.353 54.000 -0.615 0.000 0.656 562 D CB -0.991 39.600 40.800 -0.347 0.000 1.025 562 D HN 1.461 nan 8.370 nan 0.000 0.419 563 G N -0.780 107.766 108.800 -0.423 0.000 2.196 563 G HA2 -0.364 3.630 3.960 0.056 0.000 0.268 563 G HA3 -0.364 3.630 3.960 0.056 0.000 0.268 563 G C 0.203 175.122 174.900 0.030 0.000 0.975 563 G CA 0.650 45.640 45.100 -0.183 0.000 0.648 563 G HN 0.429 nan 8.290 nan 0.000 0.538 564 Q N 0.448 120.266 119.800 0.030 0.000 2.312 564 Q HA 0.502 4.876 4.340 0.056 0.000 0.263 564 Q C -2.411 173.604 176.000 0.025 0.000 0.995 564 Q CA -2.413 53.436 55.803 0.077 0.000 0.853 564 Q CB 2.325 31.058 28.738 -0.007 0.000 1.300 564 Q HN 0.292 nan 8.270 nan 0.000 0.448 565 P HA 0.155 nan 4.420 nan 0.000 0.276 565 P C -0.331 176.807 177.300 -0.270 0.000 1.230 565 P CA -0.143 62.625 63.100 -0.554 0.000 0.776 565 P CB 0.895 32.224 31.700 -0.619 0.000 0.888 566 L N 1.960 123.033 121.223 -0.250 0.000 2.456 566 L HA 0.415 4.788 4.340 0.056 0.000 0.257 566 L C 1.218 178.057 176.870 -0.052 0.000 1.162 566 L CA -1.031 53.747 54.840 -0.104 0.000 0.808 566 L CB 0.200 42.210 42.059 -0.080 0.000 1.136 566 L HN 0.386 nan 8.230 nan 0.000 0.466 567 A N 0.825 123.646 122.820 0.001 0.000 2.546 567 A HA 0.389 4.742 4.320 0.056 0.000 0.243 567 A C 1.135 178.708 177.584 -0.018 0.000 1.063 567 A CA 0.692 52.724 52.037 -0.009 0.000 0.757 567 A CB -0.373 18.637 19.000 0.017 0.000 0.991 567 A HN 1.100 nan 8.150 nan 0.000 0.503 568 G N 1.633 110.344 108.800 -0.149 0.000 2.234 568 G HA2 -0.220 3.774 3.960 0.056 0.000 0.235 568 G HA3 -0.220 3.774 3.960 0.056 0.000 0.235 568 G C 0.570 175.084 174.900 -0.643 0.000 0.997 568 G CA 0.289 45.151 45.100 -0.398 0.000 0.623 568 G HN 1.391 nan 8.290 nan 0.000 0.514 569 S N 0.522 116.046 115.700 -0.293 0.000 2.558 569 S HA 0.402 4.906 4.470 0.056 0.000 0.293 569 S C 1.653 176.115 174.600 -0.230 0.000 1.292 569 S CA 1.548 59.627 58.200 -0.202 0.000 1.063 569 S CB 1.002 64.070 63.200 -0.220 0.000 0.831 569 S HN 2.192 nan 8.310 nan 0.000 0.499 570 G N 2.618 111.317 108.800 -0.169 0.000 2.194 570 G HA2 -0.235 3.759 3.960 0.056 0.000 0.236 570 G HA3 -0.235 3.759 3.960 0.056 0.000 0.236 570 G C -0.077 174.726 174.900 -0.161 0.000 0.987 570 G CA -0.381 44.637 45.100 -0.136 0.000 0.635 570 G HN 0.612 nan 8.290 nan 0.000 0.520 571 N N 1.370 119.905 118.700 -0.275 0.000 2.458 571 N HA 0.332 5.105 4.740 0.056 0.000 0.258 571 N C 0.594 176.045 175.510 -0.100 0.000 1.219 571 N CA 0.603 53.505 53.050 -0.247 0.000 0.902 571 N CB 0.594 38.807 38.487 -0.457 0.000 1.076 571 N HN 0.181 nan 8.380 nan 0.000 0.455 572 T N 1.110 115.625 114.554 -0.065 0.000 2.866 572 T HA 0.060 4.444 4.350 0.056 0.000 0.293 572 T C 1.661 176.368 174.700 0.012 0.000 1.005 572 T CA -0.087 61.998 62.100 -0.025 0.000 1.162 572 T CB 0.211 69.067 68.868 -0.020 0.000 0.968 572 T HN 0.386 nan 8.240 nan 0.000 0.530 573 V N 3.115 123.045 119.914 0.027 0.000 3.431 573 V HA 0.467 4.621 4.120 0.056 0.000 0.253 573 V C 0.622 176.745 176.094 0.048 0.000 1.184 573 V CA 0.220 62.557 62.300 0.062 0.000 1.104 573 V CB 0.289 32.162 31.823 0.084 0.000 0.799 573 V HN 0.541 nan 8.190 nan 0.000 0.462 574 V N 1.081 121.014 119.914 0.031 0.000 2.760 574 V HA 0.746 4.900 4.120 0.056 0.000 0.309 574 V C -0.794 175.312 176.094 0.020 0.000 1.077 574 V CA -0.738 61.579 62.300 0.029 0.000 0.910 574 V CB 2.207 34.049 31.823 0.031 0.000 1.008 574 V HN 0.523 nan 8.190 nan 0.000 0.424 575 R N 3.493 124.005 120.500 0.019 0.000 2.457 575 R HA 0.874 5.247 4.340 0.056 0.000 0.284 575 R C 0.374 176.683 176.300 0.016 0.000 1.024 575 R CA 0.933 57.041 56.100 0.015 0.000 1.025 575 R CB 1.364 31.672 30.300 0.013 0.000 1.063 575 R HN 1.712 nan 8.270 nan 0.000 0.493 576 G N 0.428 109.238 108.800 0.015 0.000 2.661 576 G HA2 -0.006 3.988 3.960 0.056 0.000 0.685 576 G HA3 -0.006 3.988 3.960 0.056 0.000 0.685 576 G C 0.205 175.118 174.900 0.023 0.000 1.298 576 G CA -0.335 44.776 45.100 0.017 0.000 0.855 576 G HN 0.656 nan 8.290 nan 0.000 0.560 577 A N -0.822 122.012 122.820 0.023 0.000 1.970 577 A HA 0.439 4.793 4.320 0.056 0.000 0.216 577 A C 1.650 179.252 177.584 0.031 0.000 1.170 577 A CA 2.256 54.310 52.037 0.028 0.000 0.645 577 A CB -0.538 18.477 19.000 0.025 0.000 0.816 577 A HN 1.782 nan 8.150 nan 0.000 0.447 578 T N 1.640 116.211 114.554 0.028 0.000 2.930 578 T HA 0.421 4.805 4.350 0.056 0.000 0.306 578 T C 0.055 174.776 174.700 0.033 0.000 1.045 578 T CA -0.080 62.038 62.100 0.029 0.000 1.134 578 T CB 0.444 69.327 68.868 0.025 0.000 0.961 578 T HN 0.236 nan 8.240 nan 0.000 0.545 579 L N 4.335 125.580 121.223 0.036 0.000 2.395 579 L HA 0.378 4.752 4.340 0.056 0.000 0.269 579 L C -1.695 175.193 176.870 0.030 0.000 1.133 579 L CA -2.123 52.743 54.840 0.044 0.000 0.812 579 L CB -0.584 41.507 42.059 0.053 0.000 1.125 579 L HN 0.410 nan 8.230 nan 0.000 0.452 580 P HA -0.040 nan 4.420 nan 0.000 0.270 580 P C -0.906 176.387 177.300 -0.010 0.000 1.221 580 P CA -0.050 63.057 63.100 0.011 0.000 0.788 580 P CB 0.484 32.195 31.700 0.019 0.000 0.904 581 D N 1.007 121.389 120.400 -0.029 0.000 2.456 581 D HA 0.248 4.922 4.640 0.056 0.000 0.287 581 D C -0.077 176.170 176.300 -0.088 0.000 1.186 581 D CA -0.449 53.519 54.000 -0.053 0.000 0.916 581 D CB -0.819 39.959 40.800 -0.037 0.000 1.029 581 D HN 0.166 nan 8.370 nan 0.000 0.498 582 I N 1.651 122.133 120.570 -0.145 0.000 2.752 582 I HA -0.070 4.134 4.170 0.056 0.000 0.289 582 I C 1.867 177.858 176.117 -0.209 0.000 1.197 582 I CA 0.164 61.326 61.300 -0.230 0.000 1.432 582 I CB 1.014 38.771 38.000 -0.406 0.000 1.359 582 I HN 0.314 nan 8.210 nan 0.000 0.571 583 S N 5.770 121.390 115.700 -0.134 0.000 2.404 583 S HA -0.002 4.501 4.470 0.056 0.000 0.223 583 S C 0.426 175.069 174.600 0.072 0.000 1.040 583 S CA 0.517 58.721 58.200 0.006 0.000 0.957 583 S CB 0.068 63.362 63.200 0.157 0.000 0.826 583 S HN 0.845 nan 8.310 nan 0.000 0.491 584 H N -1.814 117.131 119.070 -0.207 0.000 2.904 584 H HA 0.427 5.016 4.556 0.056 0.000 0.290 584 H C -1.967 173.228 175.328 -0.221 0.000 1.437 584 H CA -1.327 54.608 56.048 -0.188 0.000 1.147 584 H CB -0.264 29.510 29.762 0.020 0.000 1.824 584 H HN 0.227 nan 8.280 nan 0.000 0.505 585 F N 1.458 121.414 119.950 0.011 0.000 2.421 585 F HA 0.401 4.962 4.527 0.056 0.000 0.337 585 F C -0.267 175.624 175.800 0.151 0.000 1.105 585 F CA -0.990 56.954 58.000 -0.093 0.000 1.049 585 F CB 1.330 40.335 39.000 0.008 0.000 1.139 585 F HN 0.433 nan 8.300 nan 0.000 0.479 586 Y N 1.009 121.447 120.300 0.231 0.000 2.377 586 Y HA 0.794 5.378 4.550 0.056 0.000 0.339 586 Y C -1.166 174.856 175.900 0.203 0.000 1.011 586 Y CA -1.781 56.461 58.100 0.237 0.000 1.093 586 Y CB 0.834 39.394 38.460 0.167 0.000 1.201 586 Y HN 0.392 nan 8.280 nan 0.000 0.455 587 I N 4.446 125.213 120.570 0.328 0.000 2.382 587 I HA 0.646 4.850 4.170 0.056 0.000 0.285 587 I C 0.697 176.930 176.117 0.193 0.000 1.007 587 I CA 0.336 61.810 61.300 0.289 0.000 1.142 587 I CB 1.064 39.307 38.000 0.406 0.000 1.289 587 I HN 1.139 nan 8.210 nan 0.000 0.453 588 G N 4.814 113.760 108.800 0.243 0.000 2.496 588 G HA2 -0.103 3.891 3.960 0.056 0.000 0.243 588 G HA3 -0.103 3.891 3.960 0.056 0.000 0.243 588 G C 0.288 175.246 174.900 0.097 0.000 1.176 588 G CA -0.193 44.983 45.100 0.127 0.000 0.940 588 G HN 1.038 nan 8.290 nan 0.000 0.573 589 G N 1.053 109.812 108.800 -0.068 0.000 4.876 589 G HA2 0.721 4.715 3.960 0.056 0.000 0.304 589 G HA3 0.721 4.715 3.960 0.056 0.000 0.304 589 G C -1.879 172.957 174.900 -0.107 0.000 1.396 589 G CA 0.196 45.264 45.100 -0.053 0.000 0.978 589 G HN 0.626 nan 8.290 nan 0.000 0.565 595 A N 1.458 124.257 122.820 -0.034 0.000 2.531 595 A HA 0.542 4.896 4.320 0.056 0.000 0.236 595 A C -1.623 175.941 177.584 -0.033 0.000 1.062 595 A CA -0.195 51.822 52.037 -0.033 0.000 0.760 595 A CB -0.307 18.671 19.000 -0.038 0.000 0.995 595 A HN 0.280 nan 8.150 nan 0.000 0.501 596 P HA 0.089 nan 4.420 nan 0.000 0.238 596 P C -0.285 177.001 177.300 -0.022 0.000 1.714 596 P CA 0.035 63.122 63.100 -0.021 0.000 0.908 596 P CB -0.939 30.753 31.700 -0.014 0.000 1.893 597 T N 1.217 115.751 114.554 -0.033 0.000 2.738 597 T HA -0.055 4.329 4.350 0.056 0.000 0.277 597 T C 0.397 175.089 174.700 -0.014 0.000 0.981 597 T CA 0.637 62.717 62.100 -0.033 0.000 1.211 597 T CB -0.202 68.633 68.868 -0.055 0.000 0.932 597 T HN 0.139 nan 8.240 nan 0.000 0.522 598 D N 2.937 123.340 120.400 0.006 0.000 2.590 598 D HA 0.178 4.852 4.640 0.056 0.000 0.280 598 D C -0.204 176.140 176.300 0.073 0.000 1.197 598 D CA -0.322 53.699 54.000 0.035 0.000 0.967 598 D CB 0.244 41.067 40.800 0.038 0.000 0.987 598 D HN 0.282 nan 8.370 nan 0.000 0.508 599 S N 2.076 117.830 115.700 0.091 0.000 2.498 599 S HA 0.184 4.687 4.470 0.056 0.000 0.281 599 S C 0.440 175.175 174.600 0.224 0.000 1.265 599 S CA -0.350 57.968 58.200 0.198 0.000 1.071 599 S CB 0.443 63.783 63.200 0.233 0.000 0.894 599 S HN 0.210 nan 8.310 nan 0.000 0.491 600 R N 3.504 124.152 120.500 0.247 0.000 2.755 600 R HA 0.286 4.660 4.340 0.056 0.000 0.268 600 R C -0.181 176.194 176.300 0.125 0.000 1.295 600 R CA -0.197 56.010 56.100 0.178 0.000 1.379 600 R CB -0.505 29.883 30.300 0.146 0.000 1.170 600 R HN 0.512 nan 8.270 nan 0.000 0.584 601 V N -1.857 118.153 119.914 0.160 0.000 3.158 601 V HA 0.744 4.898 4.120 0.056 0.000 0.311 601 V C -0.274 175.883 176.094 0.106 0.000 1.181 601 V CA -0.691 61.660 62.300 0.086 0.000 1.054 601 V CB 2.675 34.528 31.823 0.051 0.000 1.085 601 V HN 0.300 nan 8.190 nan 0.000 0.446 602 T N 1.446 116.024 114.554 0.040 0.000 2.881 602 T HA 0.731 5.115 4.350 0.056 0.000 0.291 602 T C -0.786 173.933 174.700 0.033 0.000 0.990 602 T CA -0.339 61.733 62.100 -0.045 0.000 0.976 602 T CB 1.380 70.222 68.868 -0.044 0.000 0.970 602 T HN 0.827 nan 8.240 nan 0.000 0.438 603 V N 3.373 123.308 119.914 0.036 0.000 2.769 603 V HA 0.879 5.033 4.120 0.056 0.000 0.312 603 V C 0.018 176.259 176.094 0.244 0.000 1.061 603 V CA -0.880 61.537 62.300 0.196 0.000 0.931 603 V CB 2.207 34.245 31.823 0.357 0.000 1.010 603 V HN 1.094 nan 8.190 nan 0.000 0.433 604 T N -0.476 114.231 114.554 0.255 0.000 2.900 604 T HA 0.527 4.911 4.350 0.056 0.000 0.303 604 T C -0.467 174.380 174.700 0.244 0.000 1.142 604 T CA -0.893 61.377 62.100 0.283 0.000 1.007 604 T CB 1.180 70.162 68.868 0.190 0.000 1.156 604 T HN 0.735 nan 8.240 nan 0.000 0.490 605 N N 0.700 119.539 118.700 0.231 0.000 2.614 605 N HA -0.119 4.655 4.740 0.056 0.000 0.276 605 N C -0.586 175.088 175.510 0.275 0.000 1.119 605 N CA 0.008 53.240 53.050 0.303 0.000 0.742 605 N CB -0.843 37.886 38.487 0.405 0.000 0.900 605 N HN 0.568 nan 8.380 nan 0.000 0.549 606 I N 1.605 122.194 120.570 0.032 0.000 2.365 606 I HA 0.288 4.492 4.170 0.056 0.000 0.291 606 I C 0.785 177.059 176.117 0.262 0.000 1.004 606 I CA -0.360 60.951 61.300 0.019 0.000 1.311 606 I CB 1.238 39.062 38.000 -0.294 0.000 1.401 606 I HN -0.018 nan 8.210 nan 0.000 0.491 607 V N 7.153 127.209 119.914 0.236 0.000 2.715 607 V HA 0.500 4.654 4.120 0.056 0.000 0.310 607 V C -0.410 175.753 176.094 0.114 0.000 1.054 607 V CA -0.838 61.577 62.300 0.191 0.000 0.928 607 V CB 2.614 34.440 31.823 0.006 0.000 1.007 607 V HN 0.499 nan 8.190 nan 0.000 0.437 608 L N 4.174 125.364 121.223 -0.055 0.000 2.385 608 L HA 0.719 5.092 4.340 0.056 0.000 0.273 608 L C -1.649 175.028 176.870 -0.321 0.000 0.990 608 L CA -0.105 54.610 54.840 -0.207 0.000 0.821 608 L CB 1.629 43.348 42.059 -0.567 0.000 1.279 608 L HN 0.576 nan 8.230 nan 0.000 0.412 609 Y N 2.437 122.653 120.300 -0.139 0.000 2.477 609 Y HA 0.371 4.955 4.550 0.056 0.000 0.347 609 Y C 0.400 176.159 175.900 -0.235 0.000 0.981 609 Y CA -0.844 57.133 58.100 -0.204 0.000 1.033 609 Y CB 1.629 39.998 38.460 -0.153 0.000 1.245 609 Y HN 0.697 nan 8.280 nan 0.000 0.455 610 N N 2.076 120.536 118.700 -0.400 0.000 2.466 610 N HA 0.149 4.923 4.740 0.056 0.000 0.251 610 N C -0.682 174.714 175.510 -0.189 0.000 1.164 610 N CA -0.400 52.251 53.050 -0.664 0.000 0.888 610 N CB -0.122 37.658 38.487 -1.178 0.000 1.177 610 N HN 0.774 nan 8.380 nan 0.000 0.498 611 R N -2.430 118.036 120.500 -0.057 0.000 2.741 611 R HA 0.354 4.728 4.340 0.056 0.000 0.276 611 R C -1.333 174.913 176.300 -0.090 0.000 1.028 611 R CA -1.091 54.974 56.100 -0.060 0.000 0.865 611 R CB 0.873 31.130 30.300 -0.072 0.000 1.268 611 R HN 0.041 nan 8.270 nan 0.000 0.475 612 R N 2.425 122.851 120.500 -0.123 0.000 2.308 612 R HA 0.274 4.648 4.340 0.056 0.000 0.325 612 R C -0.296 175.893 176.300 -0.185 0.000 1.161 612 R CA -0.407 55.598 56.100 -0.159 0.000 1.022 612 R CB 0.074 30.283 30.300 -0.152 0.000 1.091 612 R HN 0.559 nan 8.270 nan 0.000 0.497 613 L N 3.459 124.527 121.223 -0.259 0.000 2.536 613 L HA -0.124 4.250 4.340 0.056 0.000 0.294 613 L C 0.944 177.671 176.870 -0.238 0.000 1.257 613 L CA 0.160 54.811 54.840 -0.314 0.000 0.850 613 L CB -0.159 41.618 42.059 -0.470 0.000 1.105 613 L HN 0.772 nan 8.230 nan 0.000 0.517 614 N N 0.061 118.639 118.700 -0.204 0.000 2.374 614 N HA 0.068 4.842 4.740 0.056 0.000 0.284 614 N C 0.743 176.148 175.510 -0.176 0.000 1.280 614 N CA -0.056 52.901 53.050 -0.156 0.000 0.963 614 N CB 0.399 38.820 38.487 -0.109 0.000 1.141 614 N HN 0.569 nan 8.380 nan 0.000 0.565 615 S N -1.219 114.408 115.700 -0.123 0.000 2.371 615 S HA -0.153 4.351 4.470 0.056 0.000 0.224 615 S C 1.815 176.351 174.600 -0.105 0.000 1.029 615 S CA 1.131 59.258 58.200 -0.121 0.000 0.978 615 S CB -1.250 61.928 63.200 -0.037 0.000 0.833 615 S HN 0.740 nan 8.310 nan 0.000 0.466 616 S N 1.709 117.361 115.700 -0.080 0.000 2.402 616 S HA -0.045 4.458 4.470 0.056 0.000 0.229 616 S C 1.792 176.338 174.600 -0.089 0.000 1.021 616 S CA 0.982 59.143 58.200 -0.066 0.000 0.974 616 S CB -0.686 62.484 63.200 -0.050 0.000 0.800 616 S HN 0.614 nan 8.310 nan 0.000 0.484 617 E N 1.024 121.151 120.200 -0.122 0.000 2.118 617 E HA -0.051 4.333 4.350 0.056 0.000 0.195 617 E C 1.826 178.330 176.600 -0.160 0.000 0.992 617 E CA 1.468 57.777 56.400 -0.152 0.000 0.804 617 E CB -0.329 29.248 29.700 -0.205 0.000 0.741 617 E HN 0.637 nan 8.360 nan 0.000 0.458 618 I N 0.252 120.710 120.570 -0.186 0.000 2.546 618 I HA -0.189 4.015 4.170 0.056 0.000 0.255 618 I C 2.544 178.621 176.117 -0.068 0.000 1.163 618 I CA 0.664 61.860 61.300 -0.173 0.000 1.457 618 I CB -0.125 37.647 38.000 -0.380 0.000 1.092 618 I HN 0.019 nan 8.210 nan 0.000 0.434 619 R N 0.391 120.859 120.500 -0.052 0.000 2.161 619 R HA -0.071 4.303 4.340 0.056 0.000 0.213 619 R C 2.111 178.396 176.300 -0.024 0.000 1.055 619 R CA 1.151 57.268 56.100 0.029 0.000 0.996 619 R CB -0.036 30.285 30.300 0.036 0.000 0.901 619 R HN 0.164 nan 8.270 nan 0.000 0.456 620 T N 1.720 116.238 114.554 -0.060 0.000 2.674 620 T HA -0.097 4.287 4.350 0.056 0.000 0.265 620 T C 1.794 176.436 174.700 -0.096 0.000 1.039 620 T CA 1.517 63.570 62.100 -0.078 0.000 1.150 620 T CB -0.134 68.691 68.868 -0.073 0.000 0.864 620 T HN 0.148 nan 8.240 nan 0.000 0.427 621 L N 0.141 121.322 121.223 -0.070 0.000 1.989 621 L HA -0.077 4.297 4.340 0.056 0.000 0.211 621 L C 2.354 179.062 176.870 -0.271 0.000 1.071 621 L CA 1.591 56.406 54.840 -0.042 0.000 0.749 621 L CB -0.720 41.411 42.059 0.121 0.000 0.890 621 L HN 0.236 nan 8.230 nan 0.000 0.431 622 F N 0.765 120.341 119.950 -0.623 0.000 2.202 622 F HA -0.193 4.368 4.527 0.056 0.000 0.301 622 F C 2.081 177.662 175.800 -0.364 0.000 1.082 622 F CA 1.383 58.864 58.000 -0.866 0.000 1.313 622 F CB -0.305 38.362 39.000 -0.555 0.000 1.024 622 F HN -0.096 nan 8.300 nan 0.000 0.495 623 L N -0.075 120.844 121.223 -0.507 0.000 2.395 623 L HA -0.053 4.321 4.340 0.056 0.000 0.218 623 L C 1.435 178.094 176.870 -0.352 0.000 1.130 623 L CA 1.163 55.686 54.840 -0.529 0.000 0.826 623 L CB -0.476 41.410 42.059 -0.289 0.000 0.941 623 L HN 0.354 nan 8.230 nan 0.000 0.451 624 S N -2.563 112.987 115.700 -0.250 0.000 2.843 624 S HA 0.036 4.540 4.470 0.056 0.000 0.249 624 S C 1.228 175.787 174.600 -0.068 0.000 1.047 624 S CA -0.642 57.474 58.200 -0.141 0.000 1.042 624 S CB 0.228 63.369 63.200 -0.099 0.000 0.936 624 S HN 0.461 nan 8.310 nan 0.000 0.531 625 Q N 1.140 120.906 119.800 -0.057 0.000 2.369 625 Q HA -0.015 4.359 4.340 0.056 0.000 0.206 625 Q C 0.170 176.214 176.000 0.074 0.000 0.963 625 Q CA 1.124 56.969 55.803 0.069 0.000 0.894 625 Q CB -0.435 28.413 28.738 0.183 0.000 0.965 625 Q HN 0.381 nan 8.270 nan 0.000 0.475 626 D N 0.181 120.595 120.400 0.023 0.000 2.325 626 D HA 0.139 4.813 4.640 0.056 0.000 0.234 626 D C 0.920 177.238 176.300 0.031 0.000 1.122 626 D CA 0.368 54.386 54.000 0.031 0.000 0.850 626 D CB 0.375 41.177 40.800 0.003 0.000 0.921 626 D HN 0.469 nan 8.370 nan 0.000 0.513 627 M N -0.648 118.973 119.600 0.036 0.000 2.260 627 M HA 0.073 4.587 4.480 0.056 0.000 0.295 627 M C 1.457 177.810 176.300 0.089 0.000 1.042 627 M CA 0.072 55.396 55.300 0.040 0.000 1.116 627 M CB 0.517 33.114 32.600 -0.005 0.000 1.796 627 M HN -0.069 nan 8.290 nan 0.000 0.617 628 I N -0.238 120.392 120.570 0.100 0.000 2.830 628 I HA 0.210 4.414 4.170 0.056 0.000 0.263 628 I C 1.245 177.530 176.117 0.280 0.000 1.230 628 I CA -0.126 61.260 61.300 0.143 0.000 1.480 628 I CB -1.846 36.176 38.000 0.037 0.000 1.095 628 I HN 0.020 nan 8.210 nan 0.000 0.455 629 G N 1.411 110.362 108.800 0.252 0.000 2.630 629 G HA2 0.360 4.354 3.960 0.056 0.000 0.236 629 G HA3 0.360 4.354 3.960 0.056 0.000 0.236 629 G C 0.366 175.374 174.900 0.180 0.000 1.248 629 G CA 0.411 45.664 45.100 0.256 0.000 0.844 629 G HN 0.589 nan 8.290 nan 0.000 0.588 630 T N 0.000 114.626 114.554 0.120 0.000 3.816 630 T HA 0.000 4.384 4.350 0.056 0.000 0.228 630 T CA 0.000 62.114 62.100 0.024 0.000 1.349 630 T CB 0.000 68.879 68.868 0.017 0.000 0.612 630 T HN 0.000 nan 8.240 nan 0.000 0.658