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 3qan_1_B DATA FIRST_RESID 1 DATA SEQUENCE MLQPYKHEPF TDFTVEANRK AFEEALGLVE KELGKEYPLI INGERVTTED DATA SEQUENCE KIQSWNPARK DQLVGSVSKA NQDLAEKAIQ SADEAFQTWR NVNPEERANI DATA SEQUENCE LVKAAAIIRR RKHEFSAWLV HEAGKPWKEA DADTAEAIDF LEYYARQMIE DATA SEQUENCE LNRGKEILSR PGEQNRYFYT PMGVTVTISP WNFALAIMVG TAVAPIVTGN DATA SEQUENCE TVVLKPASTT PVVAAKFVEV LEDAGLPKGV INYVPGSGAE VGDYLVDHPK DATA SEQUENCE TSLITFTGSK DVGVRLYERA AVVRPGQNHL KRVIVEMGGK DTVVVDRDAD DATA SEQUENCE LDLAAESILV SAFGFSGQKC SAGSRAVIHK DVYDEVLEKT VALAKNLTVG DATA SEQUENCE DPTNRDNYMG PVIDEKAFEK IMSYIEIGKK EGRLMTGGEG DSSTGFFIQP DATA SEQUENCE TIIADLDPEA VIMQEEIFGP VVAFSKANDF DHALEIANNT EYGLTGAVIT DATA SEQUENCE RNRAHIEQAK REFHVGNLYF NRNCTGAIVG YHPFGGFKMS GTDSKAGGPD DATA SEQUENCE YLALHMQAKT VSEMYA 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.307 176.300 0.011 0.000 1.140 1 M CA 0.000 55.305 55.300 0.008 0.000 0.988 1 M CB 0.000 32.604 32.600 0.006 0.000 1.302 2 L N 3.227 124.459 121.223 0.016 0.000 2.416 2 L HA 0.254 4.592 4.340 -0.004 0.000 0.272 2 L C 0.100 176.984 176.870 0.024 0.000 1.161 2 L CA -0.097 54.756 54.840 0.022 0.000 0.845 2 L CB 0.948 43.025 42.059 0.030 0.000 1.119 2 L HN 0.370 nan 8.230 nan 0.000 0.464 3 Q N 3.729 123.542 119.800 0.022 0.000 2.395 3 Q HA 0.142 4.480 4.340 -0.004 0.000 0.271 3 Q C -2.079 173.942 176.000 0.035 0.000 1.026 3 Q CA -1.660 54.154 55.803 0.019 0.000 0.900 3 Q CB 0.156 28.898 28.738 0.006 0.000 1.266 3 Q HN 0.366 nan 8.270 nan 0.000 0.430 4 P HA -0.122 nan 4.420 nan 0.000 0.267 4 P C -1.060 176.292 177.300 0.086 0.000 1.200 4 P CA 0.076 63.214 63.100 0.065 0.000 0.772 4 P CB 0.216 31.942 31.700 0.045 0.000 0.855 5 Y N 3.549 123.867 120.300 0.031 0.000 2.610 5 Y HA 0.154 4.701 4.550 -0.004 0.000 0.332 5 Y C 0.557 176.494 175.900 0.062 0.000 1.201 5 Y CA 0.489 58.625 58.100 0.059 0.000 1.465 5 Y CB 0.382 38.919 38.460 0.128 0.000 1.283 5 Y HN 0.327 nan 8.280 nan 0.000 0.563 6 K N 3.976 123.913 120.400 -0.773 0.000 2.536 6 K HA 0.332 4.649 4.320 -0.004 0.000 0.269 6 K C -1.496 174.550 176.600 -0.923 0.000 0.965 6 K CA -1.054 54.837 56.287 -0.661 0.000 0.860 6 K CB 1.329 33.699 32.500 -0.218 0.000 1.423 6 K HN 0.883 nan 8.250 nan 0.000 0.438 7 H N -0.781 117.959 119.070 -0.550 0.000 2.790 7 H HA 0.148 4.702 4.556 -0.004 0.000 0.358 7 H C -0.571 174.498 175.328 -0.431 0.000 1.103 7 H CA -0.403 55.365 56.048 -0.467 0.000 1.426 7 H CB 0.924 30.418 29.762 -0.447 0.000 1.424 7 H HN 0.719 nan 8.280 nan 0.000 0.599 8 E N 3.646 123.546 120.200 -0.500 0.000 2.366 8 E HA 0.152 4.500 4.350 -0.004 0.000 0.266 8 E C -2.339 173.817 176.600 -0.741 0.000 1.015 8 E CA -1.891 54.213 56.400 -0.494 0.000 0.906 8 E CB 0.253 29.776 29.700 -0.295 0.000 0.979 8 E HN 0.558 nan 8.360 nan 0.000 0.443 9 P HA -0.019 nan 4.420 nan 0.000 0.266 9 P C -0.843 176.217 177.300 -0.400 0.000 1.195 9 P CA 0.259 63.020 63.100 -0.564 0.000 0.768 9 P CB 0.251 31.758 31.700 -0.322 0.000 0.838 10 F N 0.121 120.033 119.950 -0.064 0.000 2.410 10 F HA 0.160 4.685 4.527 -0.004 0.000 0.334 10 F C 1.447 177.174 175.800 -0.122 0.000 1.134 10 F CA 0.156 58.125 58.000 -0.052 0.000 1.227 10 F CB -0.256 38.734 39.000 -0.016 0.000 1.194 10 F HN 0.095 nan 8.300 nan 0.000 0.571 11 T N 1.486 116.039 114.554 -0.001 0.000 2.814 11 T HA 0.030 4.378 4.350 -0.004 0.000 0.297 11 T C -0.347 174.065 174.700 -0.479 0.000 0.956 11 T CA -0.415 61.501 62.100 -0.306 0.000 1.123 11 T CB 0.240 68.775 68.868 -0.556 0.000 0.902 11 T HN 0.361 nan 8.240 nan 0.000 0.528 12 D N 2.256 122.477 120.400 -0.298 0.000 2.374 12 D HA 0.114 4.752 4.640 -0.004 0.000 0.240 12 D C 0.063 176.251 176.300 -0.188 0.000 1.229 12 D CA -0.514 53.378 54.000 -0.180 0.000 0.895 12 D CB -0.080 40.682 40.800 -0.064 0.000 1.046 12 D HN 0.509 nan 8.370 nan 0.000 0.498 13 F N 1.083 121.062 119.950 0.048 0.000 2.811 13 F HA -0.021 4.503 4.527 -0.004 0.000 0.301 13 F C 2.415 178.232 175.800 0.027 0.000 1.151 13 F CA 0.228 58.256 58.000 0.047 0.000 1.412 13 F CB 0.274 39.304 39.000 0.050 0.000 1.113 13 F HN 0.351 nan 8.300 nan 0.000 0.579 14 T N -3.149 111.492 114.554 0.145 0.000 3.088 14 T HA 0.083 4.431 4.350 -0.004 0.000 0.259 14 T C 0.655 175.400 174.700 0.076 0.000 1.122 14 T CA 0.196 62.349 62.100 0.088 0.000 1.095 14 T CB -0.592 68.306 68.868 0.051 0.000 0.930 14 T HN -0.116 nan 8.240 nan 0.000 0.508 15 V N 2.996 122.957 119.914 0.079 0.000 2.455 15 V HA 0.246 4.364 4.120 -0.004 0.000 0.273 15 V C 1.686 177.841 176.094 0.101 0.000 1.045 15 V CA -0.373 61.968 62.300 0.068 0.000 0.976 15 V CB 0.981 32.831 31.823 0.046 0.000 0.993 15 V HN 0.351 nan 8.190 nan 0.000 0.475 16 E N 5.645 125.896 120.200 0.085 0.000 2.118 16 E HA -0.207 4.141 4.350 -0.004 0.000 0.195 16 E C 2.045 178.711 176.600 0.110 0.000 0.992 16 E CA 2.017 58.474 56.400 0.095 0.000 0.804 16 E CB -0.102 29.638 29.700 0.067 0.000 0.741 16 E HN 0.815 nan 8.360 nan 0.000 0.458 17 A N 0.453 123.329 122.820 0.092 0.000 2.019 17 A HA -0.184 4.134 4.320 -0.004 0.000 0.219 17 A C 1.943 179.600 177.584 0.122 0.000 1.164 17 A CA 1.589 53.681 52.037 0.093 0.000 0.644 17 A CB -0.604 18.439 19.000 0.072 0.000 0.805 17 A HN 0.270 nan 8.150 nan 0.000 0.449 18 N N 0.019 118.801 118.700 0.137 0.000 2.106 18 N HA -0.109 4.629 4.740 -0.004 0.000 0.188 18 N C 1.827 177.507 175.510 0.284 0.000 1.029 18 N CA 1.381 54.532 53.050 0.170 0.000 0.848 18 N CB -0.440 38.103 38.487 0.094 0.000 1.007 18 N HN 0.536 nan 8.380 nan 0.000 0.423 19 R N 1.168 121.874 120.500 0.344 0.000 2.083 19 R HA -0.107 4.231 4.340 -0.004 0.000 0.237 19 R C 2.192 178.655 176.300 0.272 0.000 1.137 19 R CA 1.329 57.663 56.100 0.390 0.000 0.951 19 R CB -0.214 30.264 30.300 0.296 0.000 0.851 19 R HN 0.299 nan 8.270 nan 0.000 0.434 20 K N 0.910 121.421 120.400 0.184 0.000 2.026 20 K HA -0.135 4.182 4.320 -0.004 0.000 0.208 20 K C 2.140 178.801 176.600 0.102 0.000 1.048 20 K CA 1.586 57.950 56.287 0.129 0.000 0.929 20 K CB -0.181 32.379 32.500 0.099 0.000 0.713 20 K HN 0.171 nan 8.250 nan 0.000 0.439 21 A N 0.771 123.655 122.820 0.107 0.000 1.908 21 A HA -0.178 4.140 4.320 -0.004 0.000 0.218 21 A C 2.058 179.646 177.584 0.007 0.000 1.181 21 A CA 1.503 53.598 52.037 0.096 0.000 0.627 21 A CB -0.891 18.220 19.000 0.186 0.000 0.818 21 A HN 0.520 nan 8.150 nan 0.000 0.445 22 F N 0.153 119.954 119.950 -0.249 0.000 2.146 22 F HA -0.100 4.425 4.527 -0.004 0.000 0.298 22 F C 2.286 177.842 175.800 -0.407 0.000 1.096 22 F CA 2.026 59.742 58.000 -0.473 0.000 1.275 22 F CB -0.096 38.456 39.000 -0.746 0.000 1.008 22 F HN 0.292 nan 8.300 nan 0.000 0.480 23 E N 0.181 120.379 120.200 -0.004 0.000 2.110 23 E HA -0.223 4.125 4.350 -0.004 0.000 0.193 23 E C 1.995 178.572 176.600 -0.038 0.000 0.988 23 E CA 1.609 58.031 56.400 0.037 0.000 0.804 23 E CB -0.101 29.699 29.700 0.166 0.000 0.745 23 E HN 0.492 nan 8.360 nan 0.000 0.458 24 E N -0.339 119.836 120.200 -0.042 0.000 2.106 24 E HA -0.174 4.174 4.350 -0.004 0.000 0.192 24 E C 1.953 178.482 176.600 -0.118 0.000 0.984 24 E CA 0.875 57.243 56.400 -0.053 0.000 0.806 24 E CB -0.091 29.599 29.700 -0.017 0.000 0.750 24 E HN 0.296 nan 8.360 nan 0.000 0.458 25 A N 0.939 123.639 122.820 -0.201 0.000 1.930 25 A HA -0.137 4.181 4.320 -0.004 0.000 0.217 25 A C 2.148 179.530 177.584 -0.338 0.000 1.175 25 A CA 0.924 52.791 52.037 -0.283 0.000 0.627 25 A CB -0.541 18.228 19.000 -0.386 0.000 0.815 25 A HN 0.131 nan 8.150 nan 0.000 0.443 26 L N -0.634 120.383 121.223 -0.343 0.000 2.046 26 L HA -0.134 4.203 4.340 -0.004 0.000 0.208 26 L C 2.838 179.643 176.870 -0.108 0.000 1.077 26 L CA 1.112 55.838 54.840 -0.189 0.000 0.747 26 L CB -0.826 41.166 42.059 -0.112 0.000 0.896 26 L HN 0.485 nan 8.230 nan 0.000 0.432 27 G N -0.038 108.702 108.800 -0.101 0.000 2.421 27 G HA2 -0.231 3.727 3.960 -0.004 0.000 0.216 27 G HA3 -0.231 3.727 3.960 -0.004 0.000 0.216 27 G C 1.654 176.476 174.900 -0.129 0.000 1.171 27 G CA 0.549 45.600 45.100 -0.082 0.000 0.775 27 G HN 0.200 nan 8.290 nan 0.000 0.543 28 L N 0.055 121.185 121.223 -0.154 0.000 2.012 28 L HA -0.118 4.220 4.340 -0.004 0.000 0.210 28 L C 3.041 179.754 176.870 -0.262 0.000 1.073 28 L CA 0.821 55.561 54.840 -0.167 0.000 0.748 28 L CB -0.299 41.672 42.059 -0.148 0.000 0.891 28 L HN 0.132 nan 8.230 nan 0.000 0.431 29 V N -0.523 119.132 119.914 -0.431 0.000 2.427 29 V HA -0.277 3.840 4.120 -0.004 0.000 0.248 29 V C 2.366 178.059 176.094 -0.669 0.000 1.051 29 V CA 1.729 63.556 62.300 -0.787 0.000 1.048 29 V CB -0.375 30.753 31.823 -1.160 0.000 0.666 29 V HN 0.479 nan 8.190 nan 0.000 0.456 30 E N 0.204 120.112 120.200 -0.486 0.000 2.118 30 E HA -0.271 4.077 4.350 -0.004 0.000 0.195 30 E C 2.162 178.631 176.600 -0.218 0.000 0.992 30 E CA 1.296 57.472 56.400 -0.373 0.000 0.804 30 E CB -0.002 29.590 29.700 -0.179 0.000 0.741 30 E HN 0.572 nan 8.360 nan 0.000 0.458 31 K N 0.086 120.386 120.400 -0.168 0.000 2.283 31 K HA -0.102 4.215 4.320 -0.004 0.000 0.202 31 K C 1.345 177.904 176.600 -0.068 0.000 1.048 31 K CA 1.052 57.283 56.287 -0.095 0.000 0.948 31 K CB 0.113 32.569 32.500 -0.072 0.000 0.742 31 K HN 0.137 nan 8.250 nan 0.000 0.458 32 E N 0.488 120.637 120.200 -0.084 0.000 2.463 32 E HA 0.095 4.442 4.350 -0.004 0.000 0.193 32 E C -0.359 176.314 176.600 0.121 0.000 1.041 32 E CA -0.241 56.187 56.400 0.047 0.000 0.879 32 E CB 0.267 30.070 29.700 0.170 0.000 0.997 32 E HN 0.173 nan 8.360 nan 0.000 0.478 33 L N 0.207 121.436 121.223 0.011 0.000 2.452 33 L HA 0.207 4.545 4.340 -0.004 0.000 0.267 33 L C 1.361 178.267 176.870 0.060 0.000 1.188 33 L CA 0.408 55.280 54.840 0.053 0.000 0.821 33 L CB 0.369 42.403 42.059 -0.043 0.000 1.102 33 L HN 0.245 nan 8.230 nan 0.000 0.470 34 G N 0.886 109.731 108.800 0.075 0.000 2.176 34 G HA2 -0.254 3.703 3.960 -0.004 0.000 0.252 34 G HA3 -0.254 3.703 3.960 -0.004 0.000 0.252 34 G C 0.195 175.090 174.900 -0.010 0.000 1.024 34 G CA -0.004 45.109 45.100 0.021 0.000 0.755 34 G HN 0.590 nan 8.290 nan 0.000 0.507 35 K N -0.371 120.024 120.400 -0.008 0.000 2.102 35 K HA 0.532 4.850 4.320 -0.004 0.000 0.244 35 K C 0.284 176.674 176.600 -0.351 0.000 1.021 35 K CA -0.487 55.672 56.287 -0.213 0.000 0.913 35 K CB 0.921 33.216 32.500 -0.342 0.000 1.062 35 K HN 0.266 nan 8.250 nan 0.000 0.485 36 E N 0.528 120.454 120.200 -0.457 0.000 2.204 36 E HA 0.249 4.597 4.350 -0.004 0.000 0.276 36 E C -1.622 174.646 176.600 -0.553 0.000 0.974 36 E CA -0.487 55.715 56.400 -0.331 0.000 0.815 36 E CB 0.798 30.399 29.700 -0.166 0.000 1.119 36 E HN 0.303 nan 8.360 nan 0.000 0.393 37 Y N 3.960 124.253 120.300 -0.012 0.000 2.349 37 Y HA 0.295 4.843 4.550 -0.004 0.000 0.324 37 Y C -2.166 173.772 175.900 0.064 0.000 1.005 37 Y CA -2.215 55.884 58.100 -0.001 0.000 1.240 37 Y CB 1.358 39.810 38.460 -0.013 0.000 1.117 37 Y HN 0.446 nan 8.280 nan 0.000 0.463 38 P HA 0.171 nan 4.420 nan 0.000 0.274 38 P C -0.395 177.056 177.300 0.250 0.000 1.256 38 P CA -0.353 62.834 63.100 0.145 0.000 0.795 38 P CB 1.486 33.232 31.700 0.076 0.000 1.038 39 L N 0.578 121.910 121.223 0.181 0.000 2.439 39 L HA 0.258 4.596 4.340 -0.004 0.000 0.269 39 L C 0.687 177.667 176.870 0.183 0.000 1.179 39 L CA -0.329 54.629 54.840 0.197 0.000 0.828 39 L CB -0.189 41.904 42.059 0.058 0.000 1.106 39 L HN 0.197 nan 8.230 nan 0.000 0.467 40 I N 4.283 124.986 120.570 0.223 0.000 2.359 40 I HA 0.400 4.568 4.170 -0.004 0.000 0.284 40 I C -0.204 175.959 176.117 0.076 0.000 1.018 40 I CA -0.078 61.294 61.300 0.120 0.000 1.173 40 I CB 1.104 39.162 38.000 0.096 0.000 1.326 40 I HN 0.475 nan 8.210 nan 0.000 0.462 41 I N 5.994 126.589 120.570 0.042 0.000 2.418 41 I HA 0.288 4.456 4.170 -0.004 0.000 0.287 41 I C 0.544 176.667 176.117 0.010 0.000 1.008 41 I CA -0.563 60.751 61.300 0.023 0.000 1.104 41 I CB 1.281 39.293 38.000 0.020 0.000 1.264 41 I HN 0.528 nan 8.210 nan 0.000 0.438 42 N N 5.084 123.783 118.700 -0.001 0.000 2.727 42 N HA -0.221 4.517 4.740 -0.004 0.000 0.249 42 N C 0.873 176.376 175.510 -0.013 0.000 1.048 42 N CA 1.412 54.457 53.050 -0.009 0.000 0.714 42 N CB -0.668 37.819 38.487 -0.000 0.000 0.959 42 N HN 1.133 nan 8.380 nan 0.000 0.544 43 G N -1.900 106.889 108.800 -0.018 0.000 2.267 43 G HA2 -0.325 3.633 3.960 -0.004 0.000 0.257 43 G HA3 -0.325 3.633 3.960 -0.004 0.000 0.257 43 G C -0.190 174.704 174.900 -0.010 0.000 0.998 43 G CA 0.589 45.676 45.100 -0.021 0.000 0.620 43 G HN 0.543 nan 8.290 nan 0.000 0.529 44 E N 0.984 121.184 120.200 -0.000 0.000 2.331 44 E HA 0.378 4.726 4.350 -0.004 0.000 0.272 44 E C 0.517 177.126 176.600 0.014 0.000 1.036 44 E CA -0.478 55.925 56.400 0.004 0.000 0.864 44 E CB 0.704 30.407 29.700 0.006 0.000 1.035 44 E HN 0.431 nan 8.360 nan 0.000 0.408 45 R N 1.257 121.764 120.500 0.012 0.000 2.216 45 R HA 0.302 4.640 4.340 -0.004 0.000 0.332 45 R C -0.537 175.778 176.300 0.024 0.000 1.056 45 R CA -0.381 55.732 56.100 0.022 0.000 0.901 45 R CB 0.717 31.023 30.300 0.010 0.000 1.039 45 R HN 0.156 nan 8.270 nan 0.000 0.456 46 V N 3.649 123.585 119.914 0.037 0.000 2.378 46 V HA 0.196 4.314 4.120 -0.004 0.000 0.288 46 V C 0.030 176.143 176.094 0.033 0.000 1.016 46 V CA -0.605 61.712 62.300 0.028 0.000 0.840 46 V CB 1.858 33.696 31.823 0.025 0.000 0.994 46 V HN 0.760 nan 8.190 nan 0.000 0.431 47 T N 3.514 118.081 114.554 0.020 0.000 2.837 47 T HA 0.559 4.907 4.350 -0.004 0.000 0.285 47 T C 0.343 175.050 174.700 0.013 0.000 0.984 47 T CA -0.431 61.680 62.100 0.018 0.000 1.049 47 T CB 1.372 70.245 68.868 0.007 0.000 0.947 47 T HN 0.849 nan 8.240 nan 0.000 0.472 48 T N -0.210 114.353 114.554 0.014 0.000 2.949 48 T HA 0.454 4.802 4.350 -0.004 0.000 0.287 48 T C 0.835 175.540 174.700 0.009 0.000 1.034 48 T CA -0.957 61.148 62.100 0.008 0.000 1.018 48 T CB 1.769 70.640 68.868 0.006 0.000 1.135 48 T HN 0.470 nan 8.240 nan 0.000 0.532 49 E N 0.423 120.627 120.200 0.007 0.000 2.086 49 E HA 0.014 4.362 4.350 -0.004 0.000 0.190 49 E C -0.277 176.331 176.600 0.013 0.000 0.975 49 E CA 0.503 56.908 56.400 0.009 0.000 0.813 49 E CB -0.149 29.555 29.700 0.007 0.000 0.768 49 E HN 0.697 nan 8.360 nan 0.000 0.457 50 D N 1.945 122.352 120.400 0.012 0.000 2.493 50 D HA 0.039 4.677 4.640 -0.004 0.000 0.240 50 D C -0.055 176.256 176.300 0.018 0.000 1.142 50 D CA 0.886 54.895 54.000 0.016 0.000 0.872 50 D CB 0.569 41.376 40.800 0.011 0.000 1.173 50 D HN -0.260 nan 8.370 nan 0.000 0.467 51 K N 2.115 122.530 120.400 0.025 0.000 2.378 51 K HA 0.461 4.779 4.320 -0.004 0.000 0.252 51 K C -0.580 176.036 176.600 0.027 0.000 0.931 51 K CA -0.694 55.607 56.287 0.024 0.000 0.794 51 K CB 2.151 34.663 32.500 0.020 0.000 1.181 51 K HN 0.381 nan 8.250 nan 0.000 0.425 52 I N 3.152 123.734 120.570 0.019 0.000 2.315 52 I HA 0.138 4.305 4.170 -0.004 0.000 0.291 52 I C 0.238 176.338 176.117 -0.028 0.000 1.006 52 I CA -0.330 60.980 61.300 0.015 0.000 1.265 52 I CB 0.963 38.972 38.000 0.015 0.000 1.387 52 I HN 0.218 nan 8.210 nan 0.000 0.475 53 Q N 4.457 124.220 119.800 -0.063 0.000 2.271 53 Q HA 0.363 4.701 4.340 -0.004 0.000 0.258 53 Q C -0.510 175.233 176.000 -0.429 0.000 0.936 53 Q CA -0.493 55.127 55.803 -0.304 0.000 0.909 53 Q CB 2.204 30.688 28.738 -0.423 0.000 1.253 53 Q HN 0.570 nan 8.270 nan 0.000 0.440 54 S N 2.919 118.345 115.700 -0.456 0.000 2.422 54 S HA 0.439 4.907 4.470 -0.004 0.000 0.308 54 S C -1.480 172.906 174.600 -0.356 0.000 1.097 54 S CA -0.626 57.417 58.200 -0.261 0.000 1.099 54 S CB 0.278 63.427 63.200 -0.085 0.000 0.976 54 S HN 0.448 nan 8.310 nan 0.000 0.471 55 W N 3.537 124.894 121.300 0.096 0.000 2.570 55 W HA 0.435 5.093 4.660 -0.004 0.000 0.337 55 W C 0.603 177.194 176.519 0.120 0.000 1.067 55 W CA -0.940 56.467 57.345 0.103 0.000 1.229 55 W CB 0.566 30.085 29.460 0.099 0.000 1.355 55 W HN 0.516 nan 8.180 nan 0.000 0.555 56 N N 4.250 123.169 118.700 0.364 0.000 2.440 56 N HA -0.002 4.736 4.740 -0.004 0.000 0.265 56 N C -1.171 174.477 175.510 0.231 0.000 1.239 56 N CA -0.785 52.426 53.050 0.268 0.000 0.909 56 N CB 1.202 39.834 38.487 0.241 0.000 1.066 56 N HN 0.154 nan 8.380 nan 0.000 0.474 57 P HA -0.018 nan 4.420 nan 0.000 0.229 57 P C 0.453 177.725 177.300 -0.046 0.000 1.160 57 P CA 0.665 63.877 63.100 0.188 0.000 0.777 57 P CB 0.287 32.086 31.700 0.164 0.000 0.814 58 A N -0.183 122.624 122.820 -0.021 0.000 2.095 58 A HA 0.117 4.435 4.320 -0.004 0.000 0.212 58 A C 1.333 178.945 177.584 0.046 0.000 1.162 58 A CA 0.304 52.320 52.037 -0.035 0.000 0.753 58 A CB -0.148 18.962 19.000 0.184 0.000 0.840 58 A HN 0.061 nan 8.150 nan 0.000 0.468 59 R N 0.101 120.627 120.500 0.042 0.000 2.576 59 R HA 0.158 4.496 4.340 -0.004 0.000 0.283 59 R C 0.341 176.655 176.300 0.022 0.000 1.493 59 R CA -0.109 56.011 56.100 0.034 0.000 1.170 59 R CB 1.016 31.372 30.300 0.094 0.000 1.189 59 R HN 0.514 nan 8.270 nan 0.000 0.542 60 K N 0.298 120.628 120.400 -0.117 0.000 2.283 60 K HA -0.128 4.190 4.320 -0.004 0.000 0.202 60 K C 0.282 176.815 176.600 -0.112 0.000 1.048 60 K CA 1.741 57.955 56.287 -0.122 0.000 0.948 60 K CB 0.215 32.494 32.500 -0.369 0.000 0.742 60 K HN 0.327 nan 8.250 nan 0.000 0.458 61 D N 0.384 120.736 120.400 -0.079 0.000 2.339 61 D HA -0.086 4.552 4.640 -0.004 0.000 0.217 61 D C 0.239 176.681 176.300 0.238 0.000 1.050 61 D CA 0.057 54.018 54.000 -0.064 0.000 0.856 61 D CB -0.055 40.700 40.800 -0.075 0.000 0.922 61 D HN 0.286 nan 8.370 nan 0.000 0.518 62 Q N 0.603 120.582 119.800 0.299 0.000 2.295 62 Q HA 0.248 4.586 4.340 -0.004 0.000 0.259 62 Q C -0.973 175.289 176.000 0.437 0.000 0.976 62 Q CA -0.821 55.170 55.803 0.313 0.000 0.923 62 Q CB 0.783 29.645 28.738 0.207 0.000 1.185 62 Q HN 0.176 nan 8.270 nan 0.000 0.410 63 L N 5.778 127.165 121.223 0.273 0.000 2.295 63 L HA 0.108 4.446 4.340 -0.004 0.000 0.288 63 L C 0.208 177.075 176.870 -0.006 0.000 1.079 63 L CA 0.325 55.140 54.840 -0.043 0.000 0.830 63 L CB 0.951 42.910 42.059 -0.167 0.000 1.200 63 L HN 0.679 nan 8.230 nan 0.000 0.438 64 V N 4.469 124.383 119.914 0.001 0.000 2.379 64 V HA 0.264 4.382 4.120 -0.004 0.000 0.245 64 V C 1.205 177.373 176.094 0.125 0.000 1.044 64 V CA 1.266 63.624 62.300 0.098 0.000 1.036 64 V CB -0.837 31.081 31.823 0.158 0.000 0.664 64 V HN 0.935 nan 8.190 nan 0.000 0.453 65 G N -0.805 108.006 108.800 0.017 0.000 2.579 65 G HA2 0.493 4.451 3.960 -0.004 0.000 0.292 65 G HA3 0.493 4.451 3.960 -0.004 0.000 0.292 65 G C -1.138 173.755 174.900 -0.012 0.000 1.484 65 G CA 0.163 45.337 45.100 0.123 0.000 0.813 65 G HN 0.323 nan 8.290 nan 0.000 0.515 66 S N -0.846 114.890 115.700 0.060 0.000 2.498 66 S HA 0.762 5.230 4.470 -0.004 0.000 0.317 66 S C -0.033 174.642 174.600 0.125 0.000 1.090 66 S CA -0.206 57.996 58.200 0.003 0.000 1.089 66 S CB 1.232 64.402 63.200 -0.051 0.000 0.997 66 S HN 2.034 nan 8.310 nan 0.000 0.470 67 V N 1.220 121.198 119.914 0.106 0.000 2.769 67 V HA 0.764 4.881 4.120 -0.004 0.000 0.312 67 V C 0.203 176.351 176.094 0.090 0.000 1.058 67 V CA -0.677 61.721 62.300 0.163 0.000 0.952 67 V CB 1.330 33.268 31.823 0.190 0.000 1.019 67 V HN 0.892 nan 8.190 nan 0.000 0.445 68 S N 2.184 117.944 115.700 0.100 0.000 2.589 68 S HA 0.338 4.806 4.470 -0.004 0.000 0.265 68 S C -0.152 174.456 174.600 0.013 0.000 1.342 68 S CA -0.343 57.887 58.200 0.050 0.000 1.005 68 S CB 0.494 63.727 63.200 0.056 0.000 0.909 68 S HN 0.889 nan 8.310 nan 0.000 0.555 69 K N 0.731 121.131 120.400 -0.000 0.000 2.426 69 K HA 0.607 4.925 4.320 -0.004 0.000 0.254 69 K C -0.838 175.749 176.600 -0.022 0.000 0.936 69 K CA -0.648 55.630 56.287 -0.016 0.000 0.801 69 K CB 1.289 33.788 32.500 -0.001 0.000 1.139 69 K HN 0.671 nan 8.250 nan 0.000 0.424 70 A N 3.192 125.990 122.820 -0.037 0.000 2.316 70 A HA 0.337 4.654 4.320 -0.004 0.000 0.284 70 A C -0.405 177.159 177.584 -0.033 0.000 1.115 70 A CA -0.576 51.440 52.037 -0.036 0.000 0.812 70 A CB 0.295 19.269 19.000 -0.043 0.000 1.064 70 A HN 0.950 nan 8.150 nan 0.000 0.489 71 N N 0.166 118.840 118.700 -0.045 0.000 2.813 71 N HA 0.206 4.943 4.740 -0.004 0.000 0.320 71 N C 0.649 176.088 175.510 -0.117 0.000 1.315 71 N CA -0.306 52.705 53.050 -0.065 0.000 0.871 71 N CB 0.282 38.733 38.487 -0.059 0.000 1.241 71 N HN 0.678 nan 8.380 nan 0.000 0.602 72 Q N -0.697 118.985 119.800 -0.196 0.000 2.084 72 Q HA -0.183 4.154 4.340 -0.004 0.000 0.202 72 Q C 0.267 176.040 176.000 -0.378 0.000 0.978 72 Q CA 1.896 57.440 55.803 -0.432 0.000 0.844 72 Q CB -0.200 28.232 28.738 -0.511 0.000 0.898 72 Q HN 0.558 nan 8.270 nan 0.000 0.426 73 D N 0.453 120.733 120.400 -0.201 0.000 2.123 73 D HA -0.170 4.468 4.640 -0.004 0.000 0.196 73 D C 1.950 178.217 176.300 -0.054 0.000 0.992 73 D CA 1.115 55.053 54.000 -0.104 0.000 0.833 73 D CB -0.164 40.599 40.800 -0.061 0.000 0.954 73 D HN 0.328 nan 8.370 nan 0.000 0.455 74 L N 0.396 121.587 121.223 -0.053 0.000 2.156 74 L HA -0.024 4.313 4.340 -0.004 0.000 0.208 74 L C 2.484 179.352 176.870 -0.004 0.000 1.095 74 L CA 0.733 55.560 54.840 -0.022 0.000 0.770 74 L CB -0.276 41.769 42.059 -0.023 0.000 0.914 74 L HN -0.044 nan 8.230 nan 0.000 0.439 75 A N 0.158 122.972 122.820 -0.010 0.000 1.902 75 A HA -0.257 4.061 4.320 -0.004 0.000 0.217 75 A C 2.197 179.876 177.584 0.158 0.000 1.181 75 A CA 1.933 54.016 52.037 0.077 0.000 0.623 75 A CB -0.437 18.643 19.000 0.133 0.000 0.818 75 A HN 0.387 nan 8.150 nan 0.000 0.443 76 E N 0.368 120.669 120.200 0.168 0.000 2.077 76 E HA -0.172 4.176 4.350 -0.004 0.000 0.193 76 E C 1.940 178.606 176.600 0.111 0.000 0.989 76 E CA 1.827 58.388 56.400 0.269 0.000 0.800 76 E CB -0.246 29.599 29.700 0.243 0.000 0.746 76 E HN 0.571 nan 8.360 nan 0.000 0.452 77 K N -0.317 120.119 120.400 0.060 0.000 2.103 77 K HA -0.108 4.210 4.320 -0.004 0.000 0.207 77 K C 2.087 178.698 176.600 0.018 0.000 1.048 77 K CA 1.094 57.402 56.287 0.034 0.000 0.930 77 K CB -0.189 32.323 32.500 0.021 0.000 0.716 77 K HN 0.230 nan 8.250 nan 0.000 0.444 78 A N 1.203 124.032 122.820 0.015 0.000 1.897 78 A HA -0.102 4.216 4.320 -0.004 0.000 0.215 78 A C 2.077 179.643 177.584 -0.030 0.000 1.181 78 A CA 1.030 53.067 52.037 -0.001 0.000 0.620 78 A CB -0.405 18.598 19.000 0.005 0.000 0.821 78 A HN 0.148 nan 8.150 nan 0.000 0.443 79 I N -0.376 120.151 120.570 -0.072 0.000 2.226 79 I HA -0.280 3.888 4.170 -0.004 0.000 0.245 79 I C 2.703 178.749 176.117 -0.118 0.000 1.100 79 I CA 1.192 62.387 61.300 -0.175 0.000 1.374 79 I CB -0.172 37.541 38.000 -0.478 0.000 1.057 79 I HN 0.304 nan 8.210 nan 0.000 0.413 80 Q N -0.180 119.583 119.800 -0.063 0.000 2.084 80 Q HA -0.207 4.130 4.340 -0.004 0.000 0.202 80 Q C 2.435 178.441 176.000 0.010 0.000 0.978 80 Q CA 1.973 57.774 55.803 -0.004 0.000 0.844 80 Q CB -0.645 28.113 28.738 0.032 0.000 0.898 80 Q HN 0.487 nan 8.270 nan 0.000 0.426 81 S N 0.389 116.091 115.700 0.005 0.000 2.356 81 S HA -0.120 4.348 4.470 -0.004 0.000 0.223 81 S C 2.011 176.619 174.600 0.013 0.000 1.032 81 S CA 1.315 59.521 58.200 0.010 0.000 1.005 81 S CB -0.107 63.095 63.200 0.003 0.000 0.867 81 S HN 0.389 nan 8.310 nan 0.000 0.449 82 A N 0.961 123.781 122.820 -0.000 0.000 1.933 82 A HA -0.096 4.221 4.320 -0.004 0.000 0.218 82 A C 1.918 179.539 177.584 0.061 0.000 1.175 82 A CA 2.042 54.086 52.037 0.011 0.000 0.628 82 A CB -1.208 17.781 19.000 -0.018 0.000 0.814 82 A HN 0.704 nan 8.150 nan 0.000 0.444 83 D N -0.288 120.137 120.400 0.041 0.000 2.117 83 D HA -0.214 4.424 4.640 -0.004 0.000 0.197 83 D C 1.996 178.389 176.300 0.154 0.000 0.987 83 D CA 1.613 55.666 54.000 0.089 0.000 0.829 83 D CB -0.224 40.604 40.800 0.046 0.000 0.961 83 D HN 0.674 nan 8.370 nan 0.000 0.460 84 E N -0.182 120.079 120.200 0.101 0.000 2.107 84 E HA -0.134 4.214 4.350 -0.004 0.000 0.191 84 E C 1.999 178.660 176.600 0.102 0.000 0.982 84 E CA 0.930 57.386 56.400 0.093 0.000 0.809 84 E CB -0.230 29.505 29.700 0.060 0.000 0.756 84 E HN 0.264 nan 8.360 nan 0.000 0.459 85 A N 0.969 123.849 122.820 0.099 0.000 1.933 85 A HA -0.158 4.160 4.320 -0.004 0.000 0.218 85 A C 1.994 179.691 177.584 0.188 0.000 1.175 85 A CA 1.267 53.363 52.037 0.100 0.000 0.628 85 A CB -0.983 18.037 19.000 0.034 0.000 0.814 85 A HN 0.535 nan 8.150 nan 0.000 0.444 86 F N 1.000 121.004 119.950 0.089 0.000 2.161 86 F HA -0.226 4.299 4.527 -0.004 0.000 0.300 86 F C 2.356 178.229 175.800 0.121 0.000 1.089 86 F CA 2.059 60.140 58.000 0.135 0.000 1.282 86 F CB -0.175 38.876 39.000 0.084 0.000 1.010 86 F HN 0.248 nan 8.300 nan 0.000 0.485 87 Q N -0.098 119.698 119.800 -0.007 0.000 2.181 87 Q HA -0.169 4.168 4.340 -0.004 0.000 0.205 87 Q C 2.160 178.072 176.000 -0.146 0.000 0.980 87 Q CA 2.300 58.036 55.803 -0.111 0.000 0.862 87 Q CB -1.347 27.401 28.738 0.016 0.000 0.905 87 Q HN 0.632 nan 8.270 nan 0.000 0.429 88 T N -3.859 110.662 114.554 -0.054 0.000 3.042 88 T HA -0.021 4.327 4.350 -0.004 0.000 0.245 88 T C 1.420 176.124 174.700 0.006 0.000 1.029 88 T CA -0.196 61.889 62.100 -0.025 0.000 1.120 88 T CB -0.583 68.305 68.868 0.034 0.000 0.917 88 T HN 0.398 nan 8.240 nan 0.000 0.467 89 W N 4.108 125.329 121.300 -0.132 0.000 2.363 89 W HA -0.186 4.472 4.660 -0.004 0.000 0.296 89 W C 2.453 178.886 176.519 -0.144 0.000 1.212 89 W CA 1.538 58.829 57.345 -0.090 0.000 1.260 89 W CB -0.113 29.343 29.460 -0.008 0.000 1.131 89 W HN 0.340 nan 8.180 nan 0.000 0.530 90 R N 0.715 121.029 120.500 -0.311 0.000 2.170 90 R HA -0.208 4.129 4.340 -0.004 0.000 0.242 90 R C 0.917 177.025 176.300 -0.320 0.000 1.145 90 R CA 2.122 57.958 56.100 -0.439 0.000 0.984 90 R CB -1.236 28.544 30.300 -0.867 0.000 0.869 90 R HN 0.270 nan 8.270 nan 0.000 0.455 91 N N 0.108 118.642 118.700 -0.277 0.000 2.205 91 N HA 0.131 4.869 4.740 -0.004 0.000 0.201 91 N C -0.897 174.484 175.510 -0.215 0.000 1.128 91 N CA -0.378 52.548 53.050 -0.206 0.000 0.867 91 N CB 1.162 39.559 38.487 -0.149 0.000 0.996 91 N HN -0.091 nan 8.380 nan 0.000 0.503 92 V N 2.033 121.755 119.914 -0.321 0.000 2.572 92 V HA -0.027 4.091 4.120 -0.004 0.000 0.291 92 V C 0.677 176.575 176.094 -0.326 0.000 1.039 92 V CA -0.660 61.438 62.300 -0.337 0.000 1.055 92 V CB 0.638 32.153 31.823 -0.513 0.000 0.969 92 V HN 0.367 nan 8.190 nan 0.000 0.482 93 N N 6.738 125.313 118.700 -0.208 0.000 2.223 93 N HA -0.060 4.677 4.740 -0.004 0.000 0.271 93 N C -1.564 173.835 175.510 -0.185 0.000 1.315 93 N CA -0.686 52.267 53.050 -0.162 0.000 0.835 93 N CB 1.333 39.757 38.487 -0.106 0.000 1.066 93 N HN 0.347 nan 8.380 nan 0.000 0.486 94 P HA -0.147 nan 4.420 nan 0.000 0.216 94 P C 0.710 177.958 177.300 -0.086 0.000 1.154 94 P CA 1.473 64.495 63.100 -0.131 0.000 0.865 94 P CB 0.296 31.947 31.700 -0.081 0.000 0.789 95 E N -0.672 119.489 120.200 -0.064 0.000 2.118 95 E HA -0.206 4.141 4.350 -0.004 0.000 0.195 95 E C 1.977 178.562 176.600 -0.026 0.000 0.992 95 E CA 1.154 57.533 56.400 -0.035 0.000 0.804 95 E CB -0.496 29.186 29.700 -0.029 0.000 0.741 95 E HN 0.334 nan 8.360 nan 0.000 0.458 96 E N 0.229 120.399 120.200 -0.049 0.000 2.112 96 E HA -0.066 4.282 4.350 -0.004 0.000 0.190 96 E C 2.067 178.671 176.600 0.006 0.000 0.979 96 E CA 0.592 56.978 56.400 -0.022 0.000 0.814 96 E CB -0.138 29.539 29.700 -0.039 0.000 0.762 96 E HN 0.285 nan 8.360 nan 0.000 0.460 97 R N 0.897 121.350 120.500 -0.078 0.000 2.083 97 R HA -0.067 4.271 4.340 -0.004 0.000 0.237 97 R C 2.363 178.726 176.300 0.105 0.000 1.137 97 R CA 1.352 57.448 56.100 -0.007 0.000 0.951 97 R CB -0.460 29.704 30.300 -0.226 0.000 0.851 97 R HN 0.107 nan 8.270 nan 0.000 0.434 98 A N 1.590 124.437 122.820 0.046 0.000 1.902 98 A HA -0.203 4.115 4.320 -0.004 0.000 0.217 98 A C 1.997 179.629 177.584 0.080 0.000 1.181 98 A CA 1.474 53.551 52.037 0.067 0.000 0.623 98 A CB -0.757 18.264 19.000 0.035 0.000 0.818 98 A HN 0.402 nan 8.150 nan 0.000 0.443 99 N N -0.012 118.726 118.700 0.063 0.000 2.223 99 N HA -0.113 4.624 4.740 -0.004 0.000 0.185 99 N C 1.725 177.283 175.510 0.080 0.000 1.016 99 N CA 1.362 54.449 53.050 0.062 0.000 0.863 99 N CB -0.170 38.343 38.487 0.044 0.000 0.983 99 N HN 0.554 nan 8.380 nan 0.000 0.429 100 I N 0.695 121.331 120.570 0.109 0.000 2.286 100 I HA -0.262 3.906 4.170 -0.004 0.000 0.248 100 I C 1.961 178.145 176.117 0.112 0.000 1.115 100 I CA 0.618 61.988 61.300 0.117 0.000 1.392 100 I CB -0.120 37.984 38.000 0.172 0.000 1.065 100 I HN 0.110 nan 8.210 nan 0.000 0.418 101 L N -0.048 121.257 121.223 0.137 0.000 2.042 101 L HA -0.194 4.144 4.340 -0.004 0.000 0.210 101 L C 2.466 179.407 176.870 0.118 0.000 1.076 101 L CA 1.546 56.474 54.840 0.147 0.000 0.749 101 L CB -0.789 41.373 42.059 0.172 0.000 0.893 101 L HN 0.025 nan 8.230 nan 0.000 0.432 102 V N -0.688 119.285 119.914 0.097 0.000 2.343 102 V HA -0.319 3.799 4.120 -0.004 0.000 0.247 102 V C 2.457 178.588 176.094 0.062 0.000 1.051 102 V CA 1.772 64.117 62.300 0.076 0.000 1.036 102 V CB -0.573 31.288 31.823 0.063 0.000 0.654 102 V HN 0.434 nan 8.190 nan 0.000 0.451 103 K N 0.240 120.676 120.400 0.059 0.000 2.097 103 K HA -0.046 4.271 4.320 -0.004 0.000 0.205 103 K C 2.289 178.918 176.600 0.047 0.000 1.050 103 K CA 1.341 57.656 56.287 0.047 0.000 0.938 103 K CB -0.416 32.110 32.500 0.043 0.000 0.718 103 K HN 0.466 nan 8.250 nan 0.000 0.442 104 A N 1.402 124.258 122.820 0.060 0.000 1.933 104 A HA -0.099 4.218 4.320 -0.004 0.000 0.218 104 A C 2.337 179.961 177.584 0.067 0.000 1.175 104 A CA 1.779 53.856 52.037 0.068 0.000 0.628 104 A CB -0.633 18.428 19.000 0.101 0.000 0.814 104 A HN 0.322 nan 8.150 nan 0.000 0.444 105 A N -0.116 122.744 122.820 0.066 0.000 1.898 105 A HA 0.207 4.525 4.320 -0.004 0.000 0.216 105 A C 2.495 180.087 177.584 0.013 0.000 1.181 105 A CA 1.893 53.953 52.037 0.039 0.000 0.620 105 A CB -0.980 18.051 19.000 0.053 0.000 0.819 105 A HN 1.019 nan 8.150 nan 0.000 0.442 106 A N 0.034 122.868 122.820 0.023 0.000 1.902 106 A HA -0.106 4.212 4.320 -0.004 0.000 0.217 106 A C 2.111 179.709 177.584 0.023 0.000 1.181 106 A CA 1.567 53.614 52.037 0.016 0.000 0.623 106 A CB -0.624 18.388 19.000 0.020 0.000 0.818 106 A HN 0.502 nan 8.150 nan 0.000 0.443 107 I N -0.237 120.356 120.570 0.038 0.000 2.179 107 I HA -0.272 3.896 4.170 -0.004 0.000 0.242 107 I C 2.297 178.468 176.117 0.089 0.000 1.088 107 I CA 1.458 62.799 61.300 0.068 0.000 1.357 107 I CB -0.329 37.720 38.000 0.082 0.000 1.051 107 I HN 0.315 nan 8.210 nan 0.000 0.409 108 I N 0.141 120.711 120.570 0.001 0.000 2.226 108 I HA -0.286 3.882 4.170 -0.004 0.000 0.245 108 I C 2.766 178.878 176.117 -0.007 0.000 1.100 108 I CA 1.220 62.460 61.300 -0.100 0.000 1.374 108 I CB -0.496 37.311 38.000 -0.321 0.000 1.057 108 I HN 0.205 nan 8.210 nan 0.000 0.413 109 R N 0.970 121.457 120.500 -0.022 0.000 2.096 109 R HA -0.159 4.179 4.340 -0.004 0.000 0.235 109 R C 2.544 178.826 176.300 -0.031 0.000 1.127 109 R CA 1.290 57.367 56.100 -0.037 0.000 0.968 109 R CB -0.143 30.130 30.300 -0.044 0.000 0.861 109 R HN 0.216 nan 8.270 nan 0.000 0.440 110 R N 0.284 120.787 120.500 0.005 0.000 2.115 110 R HA -0.017 4.320 4.340 -0.004 0.000 0.226 110 R C 0.944 177.263 176.300 0.032 0.000 1.100 110 R CA 1.062 57.169 56.100 0.012 0.000 0.980 110 R CB 0.145 30.463 30.300 0.031 0.000 0.875 110 R HN 0.150 nan 8.270 nan 0.000 0.445 111 R N 0.291 120.855 120.500 0.106 0.000 2.609 111 R HA 0.090 4.428 4.340 -0.004 0.000 0.326 111 R C 1.404 177.833 176.300 0.215 0.000 1.090 111 R CA -0.178 56.024 56.100 0.170 0.000 1.072 111 R CB 0.444 30.917 30.300 0.288 0.000 1.330 111 R HN 0.077 nan 8.270 nan 0.000 0.572 112 K N 0.536 120.965 120.400 0.049 0.000 2.020 112 K HA -0.213 4.104 4.320 -0.004 0.000 0.212 112 K C 1.083 177.733 176.600 0.085 0.000 1.050 112 K CA 1.568 57.867 56.287 0.020 0.000 0.929 112 K CB 0.092 32.482 32.500 -0.184 0.000 0.714 112 K HN 0.336 nan 8.250 nan 0.000 0.443 113 H N 0.077 119.186 119.070 0.065 0.000 2.457 113 H HA -0.067 4.486 4.556 -0.004 0.000 0.294 113 H C 1.979 177.151 175.328 -0.261 0.000 1.064 113 H CA 1.330 57.303 56.048 -0.126 0.000 1.330 113 H CB -0.059 29.599 29.762 -0.175 0.000 1.395 113 H HN 0.490 nan 8.280 nan 0.000 0.541 114 E N 0.325 120.516 120.200 -0.016 0.000 2.051 114 E HA -0.139 4.208 4.350 -0.004 0.000 0.192 114 E C 1.662 178.258 176.600 -0.007 0.000 0.991 114 E CA 0.774 57.115 56.400 -0.099 0.000 0.799 114 E CB -0.127 29.537 29.700 -0.060 0.000 0.748 114 E HN 0.235 nan 8.360 nan 0.000 0.449 115 F N 0.682 120.733 119.950 0.168 0.000 2.134 115 F HA -0.200 4.325 4.527 -0.004 0.000 0.299 115 F C 2.706 178.623 175.800 0.195 0.000 1.097 115 F CA 1.345 59.498 58.000 0.254 0.000 1.264 115 F CB -0.299 38.801 39.000 0.168 0.000 1.001 115 F HN 0.018 nan 8.300 nan 0.000 0.479 116 S N -0.098 115.766 115.700 0.274 0.000 2.370 116 S HA -0.231 4.237 4.470 -0.004 0.000 0.226 116 S C 2.317 176.953 174.600 0.059 0.000 1.033 116 S CA 1.088 59.415 58.200 0.211 0.000 1.011 116 S CB -0.713 62.692 63.200 0.342 0.000 0.852 116 S HN 0.397 nan 8.310 nan 0.000 0.457 117 A N 0.368 123.070 122.820 -0.198 0.000 1.930 117 A HA -0.091 4.227 4.320 -0.004 0.000 0.217 117 A C 1.798 179.341 177.584 -0.068 0.000 1.175 117 A CA 1.069 52.938 52.037 -0.281 0.000 0.627 117 A CB -1.006 17.704 19.000 -0.484 0.000 0.815 117 A HN 0.683 nan 8.150 nan 0.000 0.443 118 W N 0.085 121.399 121.300 0.024 0.000 2.342 118 W HA -0.138 4.520 4.660 -0.004 0.000 0.297 118 W C 2.013 178.594 176.519 0.104 0.000 1.213 118 W CA 1.051 58.430 57.345 0.057 0.000 1.251 118 W CB -0.333 29.108 29.460 -0.033 0.000 1.136 118 W HN 0.236 nan 8.180 nan 0.000 0.526 119 L N -0.802 120.604 121.223 0.305 0.000 2.093 119 L HA -0.216 4.122 4.340 -0.004 0.000 0.208 119 L C 2.216 179.177 176.870 0.152 0.000 1.085 119 L CA 0.751 55.714 54.840 0.205 0.000 0.755 119 L CB -1.239 40.907 42.059 0.144 0.000 0.904 119 L HN -0.141 nan 8.230 nan 0.000 0.435 120 V N -0.381 119.592 119.914 0.098 0.000 2.287 120 V HA -0.340 3.777 4.120 -0.004 0.000 0.248 120 V C 2.312 178.401 176.094 -0.009 0.000 1.053 120 V CA 2.158 64.471 62.300 0.021 0.000 1.027 120 V CB -0.817 30.952 31.823 -0.090 0.000 0.646 120 V HN 0.466 nan 8.190 nan 0.000 0.447 121 H N -0.644 118.490 119.070 0.106 0.000 2.363 121 H HA -0.070 4.483 4.556 -0.004 0.000 0.301 121 H C 2.374 177.801 175.328 0.165 0.000 1.074 121 H CA 1.619 57.735 56.048 0.112 0.000 1.354 121 H CB 0.164 29.954 29.762 0.047 0.000 1.397 121 H HN 0.471 nan 8.280 nan 0.000 0.516 122 E N -0.025 120.364 120.200 0.315 0.000 2.122 122 E HA 0.051 4.399 4.350 -0.004 0.000 0.190 122 E C 1.557 178.303 176.600 0.244 0.000 0.977 122 E CA 0.640 57.202 56.400 0.270 0.000 0.820 122 E CB 0.177 30.036 29.700 0.265 0.000 0.770 122 E HN 0.426 nan 8.360 nan 0.000 0.462 123 A N -0.488 122.485 122.820 0.254 0.000 2.431 123 A HA 0.395 4.713 4.320 -0.004 0.000 0.239 123 A C 1.348 179.156 177.584 0.373 0.000 1.230 123 A CA 0.600 52.830 52.037 0.322 0.000 0.928 123 A CB 0.404 19.599 19.000 0.325 0.000 1.006 123 A HN 0.348 nan 8.150 nan 0.000 0.520 124 G N 0.285 109.247 108.800 0.270 0.000 2.147 124 G HA2 -0.257 3.701 3.960 -0.004 0.000 0.244 124 G HA3 -0.257 3.701 3.960 -0.004 0.000 0.244 124 G C 0.052 175.140 174.900 0.313 0.000 1.005 124 G CA 0.425 45.676 45.100 0.253 0.000 0.713 124 G HN 0.522 nan 8.290 nan 0.000 0.515 125 K N 0.899 121.443 120.400 0.241 0.000 2.368 125 K HA 0.313 4.631 4.320 -0.004 0.000 0.282 125 K C -2.195 174.488 176.600 0.140 0.000 1.035 125 K CA -1.487 54.873 56.287 0.123 0.000 0.973 125 K CB 0.906 33.318 32.500 -0.147 0.000 0.957 125 K HN 0.104 nan 8.250 nan 0.000 0.474 126 P HA -0.052 nan 4.420 nan 0.000 0.271 126 P C 0.156 177.554 177.300 0.163 0.000 1.233 126 P CA -0.323 62.843 63.100 0.110 0.000 0.789 126 P CB 0.360 32.044 31.700 -0.026 0.000 0.951 127 W N 1.488 122.666 121.300 -0.204 0.000 2.318 127 W HA -0.177 4.481 4.660 -0.004 0.000 0.313 127 W C 2.370 178.786 176.519 -0.172 0.000 1.221 127 W CA 1.606 58.712 57.345 -0.399 0.000 1.266 127 W CB -1.525 27.336 29.460 -0.998 0.000 1.150 127 W HN 0.375 nan 8.180 nan 0.000 0.496 128 K N 0.513 121.000 120.400 0.145 0.000 2.063 128 K HA -0.201 4.117 4.320 -0.004 0.000 0.208 128 K C 1.792 178.438 176.600 0.076 0.000 1.048 128 K CA 1.907 58.289 56.287 0.158 0.000 0.928 128 K CB -0.383 32.163 32.500 0.078 0.000 0.713 128 K HN -0.068 nan 8.250 nan 0.000 0.442 129 E N 0.144 120.348 120.200 0.007 0.000 2.046 129 E HA -0.079 4.269 4.350 -0.004 0.000 0.190 129 E C 2.112 178.686 176.600 -0.042 0.000 0.982 129 E CA 1.217 57.571 56.400 -0.077 0.000 0.800 129 E CB -0.584 28.992 29.700 -0.207 0.000 0.756 129 E HN 0.415 nan 8.360 nan 0.000 0.449 130 A N 1.683 124.513 122.820 0.017 0.000 1.917 130 A HA -0.270 4.047 4.320 -0.004 0.000 0.219 130 A C 2.038 179.753 177.584 0.217 0.000 1.182 130 A CA 2.246 54.344 52.037 0.103 0.000 0.633 130 A CB -0.761 18.349 19.000 0.184 0.000 0.819 130 A HN 0.285 nan 8.150 nan 0.000 0.448 131 D N -0.584 119.996 120.400 0.300 0.000 2.117 131 D HA -0.002 4.636 4.640 -0.004 0.000 0.197 131 D C 1.986 178.476 176.300 0.316 0.000 0.987 131 D CA 1.600 55.826 54.000 0.377 0.000 0.829 131 D CB -0.201 40.879 40.800 0.467 0.000 0.961 131 D HN 0.344 nan 8.370 nan 0.000 0.460 132 A N 0.154 123.135 122.820 0.269 0.000 1.969 132 A HA -0.171 4.147 4.320 -0.004 0.000 0.218 132 A C 2.058 179.792 177.584 0.251 0.000 1.169 132 A CA 1.736 53.969 52.037 0.327 0.000 0.635 132 A CB -0.666 18.380 19.000 0.077 0.000 0.810 132 A HN 0.324 nan 8.150 nan 0.000 0.445 133 D N -0.532 119.985 120.400 0.194 0.000 2.117 133 D HA -0.110 4.528 4.640 -0.004 0.000 0.197 133 D C 1.869 178.252 176.300 0.138 0.000 0.987 133 D CA 1.888 56.008 54.000 0.200 0.000 0.829 133 D CB -0.165 40.722 40.800 0.146 0.000 0.961 133 D HN 0.357 nan 8.370 nan 0.000 0.460 134 T N 0.238 114.880 114.554 0.146 0.000 2.737 134 T HA -0.027 4.321 4.350 -0.004 0.000 0.265 134 T C 1.990 176.711 174.700 0.036 0.000 1.038 134 T CA 1.557 63.718 62.100 0.102 0.000 1.144 134 T CB -0.387 68.585 68.868 0.175 0.000 0.866 134 T HN 0.242 nan 8.240 nan 0.000 0.434 135 A N 1.342 124.198 122.820 0.060 0.000 1.933 135 A HA -0.150 4.168 4.320 -0.004 0.000 0.218 135 A C 2.194 179.723 177.584 -0.092 0.000 1.175 135 A CA 1.873 53.889 52.037 -0.036 0.000 0.628 135 A CB -0.567 18.392 19.000 -0.067 0.000 0.814 135 A HN 0.614 nan 8.150 nan 0.000 0.444 136 E N -0.237 119.922 120.200 -0.068 0.000 2.107 136 E HA -0.062 4.285 4.350 -0.004 0.000 0.191 136 E C 2.121 178.581 176.600 -0.233 0.000 0.982 136 E CA 0.814 57.075 56.400 -0.231 0.000 0.809 136 E CB -0.221 29.336 29.700 -0.237 0.000 0.756 136 E HN 0.546 nan 8.360 nan 0.000 0.459 137 A N 1.114 123.903 122.820 -0.052 0.000 1.902 137 A HA -0.167 4.150 4.320 -0.004 0.000 0.217 137 A C 2.124 179.701 177.584 -0.013 0.000 1.181 137 A CA 1.239 53.281 52.037 0.008 0.000 0.623 137 A CB -0.605 18.337 19.000 -0.097 0.000 0.818 137 A HN 0.313 nan 8.150 nan 0.000 0.443 138 I N -0.057 120.479 120.570 -0.056 0.000 2.208 138 I HA -0.266 3.902 4.170 -0.004 0.000 0.245 138 I C 1.942 178.059 176.117 0.001 0.000 1.097 138 I CA 1.568 62.847 61.300 -0.035 0.000 1.363 138 I CB -0.408 37.552 38.000 -0.066 0.000 1.051 138 I HN 0.254 nan 8.210 nan 0.000 0.413 139 D N 0.606 120.974 120.400 -0.054 0.000 2.097 139 D HA -0.175 4.463 4.640 -0.004 0.000 0.195 139 D C 2.174 178.443 176.300 -0.052 0.000 0.989 139 D CA 1.499 55.502 54.000 0.005 0.000 0.827 139 D CB -0.427 40.296 40.800 -0.129 0.000 0.966 139 D HN 0.283 nan 8.370 nan 0.000 0.456 140 F N 0.561 120.420 119.950 -0.152 0.000 2.126 140 F HA -0.173 4.352 4.527 -0.004 0.000 0.299 140 F C 2.418 178.108 175.800 -0.184 0.000 1.096 140 F CA 0.453 58.246 58.000 -0.345 0.000 1.255 140 F CB -0.170 38.707 39.000 -0.205 0.000 0.997 140 F HN -0.062 nan 8.300 nan 0.000 0.479 141 L N -0.432 120.901 121.223 0.183 0.000 2.027 141 L HA -0.190 4.147 4.340 -0.004 0.000 0.206 141 L C 2.491 179.458 176.870 0.162 0.000 1.074 141 L CA 1.126 56.080 54.840 0.189 0.000 0.745 141 L CB -0.568 41.587 42.059 0.160 0.000 0.898 141 L HN 0.044 nan 8.230 nan 0.000 0.433 142 E N -0.665 119.630 120.200 0.158 0.000 2.077 142 E HA -0.255 4.093 4.350 -0.004 0.000 0.193 142 E C 2.019 178.735 176.600 0.192 0.000 0.989 142 E CA 1.478 58.001 56.400 0.204 0.000 0.800 142 E CB -0.350 29.520 29.700 0.285 0.000 0.746 142 E HN 0.488 nan 8.360 nan 0.000 0.452 143 Y N 0.283 120.518 120.300 -0.107 0.000 2.184 143 Y HA -0.185 4.362 4.550 -0.004 0.000 0.290 143 Y C 2.080 177.908 175.900 -0.121 0.000 1.129 143 Y CA 1.463 59.314 58.100 -0.414 0.000 1.144 143 Y CB -0.469 37.462 38.460 -0.881 0.000 0.995 143 Y HN 0.046 nan 8.280 nan 0.000 0.513 144 Y N -0.783 119.559 120.300 0.069 0.000 2.352 144 Y HA -0.145 4.403 4.550 -0.004 0.000 0.292 144 Y C 2.580 178.461 175.900 -0.032 0.000 1.136 144 Y CA 0.139 58.241 58.100 0.003 0.000 1.227 144 Y CB -0.338 38.191 38.460 0.115 0.000 0.991 144 Y HN 0.246 nan 8.280 nan 0.000 0.545 145 A N 0.835 123.750 122.820 0.157 0.000 1.902 145 A HA -0.216 4.102 4.320 -0.004 0.000 0.217 145 A C 2.133 179.733 177.584 0.026 0.000 1.181 145 A CA 1.665 53.758 52.037 0.093 0.000 0.623 145 A CB -0.503 18.556 19.000 0.100 0.000 0.818 145 A HN 0.387 nan 8.150 nan 0.000 0.443 146 R N -1.110 119.380 120.500 -0.018 0.000 2.090 146 R HA -0.079 4.259 4.340 -0.004 0.000 0.228 146 R C 2.510 178.740 176.300 -0.117 0.000 1.110 146 R CA 1.295 57.360 56.100 -0.059 0.000 0.973 146 R CB -0.270 29.997 30.300 -0.056 0.000 0.869 146 R HN 0.727 nan 8.270 nan 0.000 0.440 147 Q N 0.197 119.874 119.800 -0.205 0.000 2.124 147 Q HA -0.197 4.141 4.340 -0.004 0.000 0.202 147 Q C 1.964 177.911 176.000 -0.089 0.000 0.977 147 Q CA 1.420 57.106 55.803 -0.195 0.000 0.850 147 Q CB 0.079 28.672 28.738 -0.241 0.000 0.901 147 Q HN 0.135 nan 8.270 nan 0.000 0.429 148 M N 0.262 119.833 119.600 -0.048 0.000 2.132 148 M HA -0.103 4.374 4.480 -0.004 0.000 0.263 148 M C 1.672 177.958 176.300 -0.025 0.000 1.065 148 M CA 1.422 56.701 55.300 -0.035 0.000 1.122 148 M CB -0.204 32.387 32.600 -0.015 0.000 1.365 148 M HN 0.255 nan 8.290 nan 0.000 0.411 149 I N -0.489 120.068 120.570 -0.021 0.000 2.208 149 I HA -0.317 3.851 4.170 -0.004 0.000 0.245 149 I C 2.435 178.549 176.117 -0.005 0.000 1.097 149 I CA 1.622 62.914 61.300 -0.013 0.000 1.363 149 I CB -0.561 37.434 38.000 -0.009 0.000 1.051 149 I HN 0.428 nan 8.210 nan 0.000 0.413 150 E N 0.544 120.735 120.200 -0.015 0.000 2.072 150 E HA -0.230 4.118 4.350 -0.004 0.000 0.191 150 E C 2.173 178.788 176.600 0.024 0.000 0.985 150 E CA 0.998 57.398 56.400 -0.001 0.000 0.801 150 E CB 0.040 29.728 29.700 -0.020 0.000 0.750 150 E HN 0.245 nan 8.360 nan 0.000 0.452 151 L N 1.847 123.072 121.223 0.003 0.000 2.201 151 L HA -0.129 4.208 4.340 -0.004 0.000 0.212 151 L C 1.844 178.788 176.870 0.125 0.000 1.105 151 L CA 1.412 56.265 54.840 0.022 0.000 0.775 151 L CB -0.599 41.398 42.059 -0.102 0.000 0.913 151 L HN 0.143 nan 8.230 nan 0.000 0.440 152 N N -0.377 118.369 118.700 0.076 0.000 2.520 152 N HA -0.153 4.585 4.740 -0.004 0.000 0.185 152 N C 1.649 177.208 175.510 0.083 0.000 1.068 152 N CA 0.303 53.403 53.050 0.083 0.000 0.911 152 N CB 0.124 38.623 38.487 0.020 0.000 0.961 152 N HN 0.424 nan 8.380 nan 0.000 0.446 153 R N 0.343 120.896 120.500 0.088 0.000 2.189 153 R HA 0.039 4.377 4.340 -0.004 0.000 0.218 153 R C 1.307 177.691 176.300 0.140 0.000 1.074 153 R CA 0.517 56.667 56.100 0.084 0.000 0.991 153 R CB -0.135 30.206 30.300 0.069 0.000 0.883 153 R HN 0.216 nan 8.270 nan 0.000 0.457 154 G N 1.275 110.216 108.800 0.235 0.000 2.642 154 G HA2 -0.280 3.677 3.960 -0.004 0.000 0.231 154 G HA3 -0.280 3.677 3.960 -0.004 0.000 0.231 154 G C -1.004 174.074 174.900 0.297 0.000 1.338 154 G CA -0.452 44.834 45.100 0.309 0.000 0.883 154 G HN 0.187 nan 8.290 nan 0.000 0.570 155 K N 0.157 120.738 120.400 0.302 0.000 2.426 155 K HA 0.449 4.767 4.320 -0.004 0.000 0.251 155 K C -0.723 175.943 176.600 0.110 0.000 0.941 155 K CA -1.009 55.392 56.287 0.189 0.000 0.808 155 K CB 2.333 34.925 32.500 0.152 0.000 1.265 155 K HN 0.478 nan 8.250 nan 0.000 0.432 156 E N 2.880 123.113 120.200 0.056 0.000 2.366 156 E HA 0.126 4.474 4.350 -0.004 0.000 0.266 156 E C 0.023 176.616 176.600 -0.013 0.000 1.015 156 E CA 0.219 56.638 56.400 0.031 0.000 0.906 156 E CB 0.394 30.107 29.700 0.023 0.000 0.979 156 E HN 0.480 nan 8.360 nan 0.000 0.443 157 I N -0.593 119.977 120.570 0.001 0.000 3.145 157 I HA 0.453 4.621 4.170 -0.004 0.000 0.313 157 I C -0.450 175.668 176.117 0.001 0.000 1.122 157 I CA -1.290 59.994 61.300 -0.026 0.000 0.987 157 I CB 1.329 39.309 38.000 -0.034 0.000 1.236 157 I HN 0.161 nan 8.210 nan 0.000 0.453 158 L N 1.741 122.961 121.223 -0.005 0.000 2.399 158 L HA 0.513 4.850 4.340 -0.004 0.000 0.266 158 L C -0.131 176.748 176.870 0.016 0.000 1.114 158 L CA -0.306 54.538 54.840 0.005 0.000 0.804 158 L CB 1.453 43.511 42.059 -0.002 0.000 1.146 158 L HN 0.658 nan 8.230 nan 0.000 0.451 159 S N 1.004 116.718 115.700 0.023 0.000 2.594 159 S HA 0.441 4.909 4.470 -0.004 0.000 0.296 159 S C -0.620 173.997 174.600 0.028 0.000 1.124 159 S CA -0.959 57.259 58.200 0.030 0.000 1.011 159 S CB 1.750 64.979 63.200 0.049 0.000 1.016 159 S HN 0.585 nan 8.310 nan 0.000 0.485 160 R N 1.284 121.798 120.500 0.023 0.000 2.637 160 R HA 0.419 4.757 4.340 -0.004 0.000 0.269 160 R C -2.994 173.328 176.300 0.036 0.000 1.089 160 R CA -1.555 54.559 56.100 0.023 0.000 1.177 160 R CB -0.922 29.387 30.300 0.015 0.000 1.091 160 R HN 0.173 nan 8.270 nan 0.000 0.540 161 P HA 0.024 nan 4.420 nan 0.000 0.262 161 P C 0.337 177.673 177.300 0.061 0.000 1.182 161 P CA 1.394 64.521 63.100 0.045 0.000 0.761 161 P CB 0.558 32.277 31.700 0.031 0.000 0.795 162 G N 1.780 110.641 108.800 0.101 0.000 2.179 162 G HA2 -0.152 3.806 3.960 -0.004 0.000 0.220 162 G HA3 -0.152 3.806 3.960 -0.004 0.000 0.220 162 G C -0.129 174.870 174.900 0.166 0.000 0.990 162 G CA 0.184 45.369 45.100 0.142 0.000 0.646 162 G HN 0.679 nan 8.290 nan 0.000 0.517 163 E N -0.722 119.557 120.200 0.132 0.000 2.416 163 E HA 0.766 5.114 4.350 -0.004 0.000 0.273 163 E C -1.304 175.353 176.600 0.096 0.000 0.935 163 E CA -1.180 55.227 56.400 0.013 0.000 0.784 163 E CB 1.503 31.177 29.700 -0.043 0.000 1.301 163 E HN -0.040 nan 8.360 nan 0.000 0.454 164 Q N 1.611 121.417 119.800 0.009 0.000 2.303 164 Q HA 0.397 4.735 4.340 -0.004 0.000 0.267 164 Q C -1.385 174.635 176.000 0.033 0.000 1.011 164 Q CA -0.750 55.109 55.803 0.094 0.000 0.740 164 Q CB 1.836 30.715 28.738 0.234 0.000 1.250 164 Q HN 0.493 nan 8.270 nan 0.000 0.458 165 N N 2.439 121.168 118.700 0.048 0.000 2.399 165 N HA 0.503 5.241 4.740 -0.004 0.000 0.295 165 N C -0.428 175.135 175.510 0.088 0.000 1.048 165 N CA -0.519 52.562 53.050 0.051 0.000 0.886 165 N CB 1.577 40.087 38.487 0.039 0.000 1.185 165 N HN 0.215 nan 8.380 nan 0.000 0.487 166 R N 1.171 121.745 120.500 0.123 0.000 2.744 166 R HA 0.380 4.718 4.340 -0.004 0.000 0.279 166 R C -1.328 175.114 176.300 0.237 0.000 0.977 166 R CA -0.698 55.517 56.100 0.191 0.000 0.906 166 R CB 1.712 32.142 30.300 0.216 0.000 1.197 166 R HN 0.639 nan 8.270 nan 0.000 0.463 167 Y N 3.259 123.612 120.300 0.088 0.000 2.327 167 Y HA 0.475 5.022 4.550 -0.004 0.000 0.325 167 Y C -1.389 174.478 175.900 -0.056 0.000 0.999 167 Y CA -0.919 57.135 58.100 -0.077 0.000 1.195 167 Y CB 0.813 39.211 38.460 -0.103 0.000 1.132 167 Y HN 0.607 nan 8.280 nan 0.000 0.455 168 F N 2.587 122.220 119.950 -0.529 0.000 2.726 168 F HA 0.747 5.272 4.527 -0.003 0.000 0.324 168 F C -2.294 173.102 175.800 -0.673 0.000 1.140 168 F CA -1.968 55.770 58.000 -0.436 0.000 0.964 168 F CB 1.193 40.108 39.000 -0.142 0.000 1.399 168 F HN 0.193 nan 8.300 nan 0.000 0.491 169 Y N 0.088 120.420 120.300 0.053 0.000 2.409 169 Y HA 0.636 5.184 4.550 -0.004 0.000 0.339 169 Y C 0.165 176.096 175.900 0.052 0.000 1.033 169 Y CA -0.659 57.405 58.100 -0.060 0.000 1.094 169 Y CB 2.308 40.763 38.460 -0.008 0.000 1.210 169 Y HN 0.808 nan 8.280 nan 0.000 0.456 170 T N 0.301 114.925 114.554 0.117 0.000 2.893 170 T HA 0.616 4.963 4.350 -0.004 0.000 0.291 170 T C -3.066 171.707 174.700 0.123 0.000 1.028 170 T CA -2.922 59.245 62.100 0.112 0.000 0.995 170 T CB 2.122 71.015 68.868 0.042 0.000 1.051 170 T HN 0.150 nan 8.240 nan 0.000 0.470 171 P HA 0.317 nan 4.420 nan 0.000 0.272 171 P C 0.523 177.984 177.300 0.269 0.000 1.223 171 P CA -0.564 62.675 63.100 0.231 0.000 0.784 171 P CB 0.578 32.471 31.700 0.322 0.000 0.923 172 M N 0.232 119.914 119.600 0.138 0.000 2.556 172 M HA 0.268 4.745 4.480 -0.004 0.000 0.259 172 M C 1.110 177.149 176.300 -0.435 0.000 1.175 172 M CA 1.285 56.547 55.300 -0.064 0.000 1.202 172 M CB -0.170 32.367 32.600 -0.106 0.000 1.298 172 M HN 0.643 nan 8.290 nan 0.000 0.492 173 G N -0.467 107.848 108.800 -0.808 0.000 2.564 173 G HA2 0.160 4.118 3.960 -0.004 0.000 0.139 173 G HA3 0.160 4.118 3.960 -0.004 0.000 0.139 173 G C -1.489 172.960 174.900 -0.752 0.000 1.147 173 G CA -0.886 43.331 45.100 -1.472 0.000 1.031 173 G HN -0.033 nan 8.290 nan 0.000 0.482 174 V N 1.574 121.203 119.914 -0.475 0.000 2.555 174 V HA 0.528 4.646 4.120 -0.004 0.000 0.286 174 V C 0.263 176.274 176.094 -0.137 0.000 1.044 174 V CA 0.316 62.486 62.300 -0.217 0.000 1.026 174 V CB 1.043 32.771 31.823 -0.159 0.000 0.981 174 V HN 0.709 nan 8.190 nan 0.000 0.480 175 T N 4.467 118.983 114.554 -0.063 0.000 2.792 175 T HA 0.439 4.787 4.350 -0.004 0.000 0.280 175 T C -0.330 174.376 174.700 0.009 0.000 0.990 175 T CA -0.386 61.705 62.100 -0.015 0.000 0.960 175 T CB 1.574 70.458 68.868 0.028 0.000 0.939 175 T HN 0.333 nan 8.240 nan 0.000 0.439 176 V N 4.337 124.265 119.914 0.023 0.000 2.368 176 V HA 0.288 4.406 4.120 -0.004 0.000 0.266 176 V C 0.511 176.654 176.094 0.081 0.000 1.045 176 V CA -0.425 61.904 62.300 0.048 0.000 0.899 176 V CB 0.831 32.684 31.823 0.049 0.000 1.006 176 V HN 0.958 nan 8.190 nan 0.000 0.470 177 T N 7.195 121.800 114.554 0.084 0.000 2.753 177 T HA 0.570 4.918 4.350 -0.004 0.000 0.297 177 T C -0.089 174.674 174.700 0.105 0.000 0.981 177 T CA 0.011 62.170 62.100 0.099 0.000 0.956 177 T CB 0.345 69.268 68.868 0.091 0.000 0.936 177 T HN 0.391 nan 8.240 nan 0.000 0.463 178 I N 4.004 124.651 120.570 0.128 0.000 2.359 178 I HA 0.275 4.443 4.170 -0.004 0.000 0.284 178 I C 0.529 176.650 176.117 0.006 0.000 1.018 178 I CA -0.491 60.886 61.300 0.128 0.000 1.173 178 I CB 1.002 39.174 38.000 0.286 0.000 1.326 178 I HN 0.593 nan 8.210 nan 0.000 0.462 179 S N 7.292 123.000 115.700 0.014 0.000 2.608 179 S HA 0.706 5.174 4.470 -0.004 0.000 0.291 179 S C -2.597 171.988 174.600 -0.026 0.000 1.146 179 S CA -1.478 56.709 58.200 -0.020 0.000 1.043 179 S CB 1.720 64.942 63.200 0.036 0.000 1.037 179 S HN 0.285 nan 8.310 nan 0.000 0.520 180 P HA 0.260 nan 4.420 nan 0.000 0.281 180 P C 0.715 178.037 177.300 0.037 0.000 1.264 180 P CA -0.839 62.210 63.100 -0.085 0.000 0.824 180 P CB 0.563 32.151 31.700 -0.187 0.000 1.092 181 W N 2.175 123.545 121.300 0.117 0.000 2.658 181 W HA -0.030 4.627 4.660 -0.004 0.000 0.263 181 W C 0.985 177.601 176.519 0.162 0.000 1.274 181 W CA 0.739 58.165 57.345 0.135 0.000 1.343 181 W CB -1.710 27.831 29.460 0.134 0.000 1.106 181 W HN 0.290 nan 8.180 nan 0.000 0.615 182 N N 1.456 119.963 118.700 -0.322 0.000 2.376 182 N HA -0.135 4.603 4.740 -0.004 0.000 0.177 182 N C -0.188 175.045 175.510 -0.462 0.000 1.024 182 N CA 0.538 53.420 53.050 -0.281 0.000 0.893 182 N CB -1.059 37.056 38.487 -0.620 0.000 0.980 182 N HN 0.055 nan 8.380 nan 0.000 0.439 183 F N 0.632 120.532 119.950 -0.083 0.000 2.471 183 F HA 0.598 5.123 4.527 -0.004 0.000 0.318 183 F C 1.231 177.022 175.800 -0.015 0.000 1.308 183 F CA -0.907 57.053 58.000 -0.067 0.000 1.162 183 F CB 0.942 39.897 39.000 -0.074 0.000 1.383 183 F HN 0.038 nan 8.300 nan 0.000 0.552 184 A N 0.331 123.221 122.820 0.117 0.000 2.070 184 A HA -0.113 4.204 4.320 -0.004 0.000 0.220 184 A C 1.933 179.581 177.584 0.106 0.000 1.159 184 A CA 1.607 53.727 52.037 0.138 0.000 0.656 184 A CB -0.153 18.951 19.000 0.173 0.000 0.800 184 A HN 0.571 nan 8.150 nan 0.000 0.453 185 L N -1.293 119.990 121.223 0.100 0.000 2.296 185 L HA 0.395 4.733 4.340 -0.004 0.000 0.193 185 L C 2.639 179.502 176.870 -0.011 0.000 1.123 185 L CA 1.724 56.584 54.840 0.034 0.000 0.805 185 L CB -1.164 40.941 42.059 0.076 0.000 1.004 185 L HN 0.221 nan 8.230 nan 0.000 0.478 186 A N 0.180 123.061 122.820 0.101 0.000 1.873 186 A HA -0.223 4.094 4.320 -0.004 0.000 0.218 186 A C 2.271 179.949 177.584 0.157 0.000 1.193 186 A CA 2.582 54.712 52.037 0.155 0.000 0.629 186 A CB -1.098 18.009 19.000 0.178 0.000 0.826 186 A HN 0.525 nan 8.150 nan 0.000 0.447 187 I N -0.974 119.663 120.570 0.111 0.000 2.353 187 I HA -0.198 3.970 4.170 -0.004 0.000 0.248 187 I C 2.696 178.766 176.117 -0.078 0.000 1.119 187 I CA 1.099 62.391 61.300 -0.013 0.000 1.417 187 I CB -0.285 37.721 38.000 0.011 0.000 1.078 187 I HN 0.414 nan 8.210 nan 0.000 0.421 188 M N 0.952 120.533 119.600 -0.032 0.000 2.080 188 M HA -0.191 4.287 4.480 -0.004 0.000 0.260 188 M C 2.364 178.587 176.300 -0.128 0.000 1.068 188 M CA 2.083 57.359 55.300 -0.040 0.000 1.109 188 M CB -0.363 32.241 32.600 0.007 0.000 1.342 188 M HN 0.071 nan 8.290 nan 0.000 0.405 189 V N 0.494 120.226 119.914 -0.302 0.000 2.261 189 V HA -0.218 3.900 4.120 -0.004 0.000 0.246 189 V C 2.703 178.681 176.094 -0.194 0.000 1.047 189 V CA 2.116 64.136 62.300 -0.467 0.000 1.015 189 V CB -1.852 29.611 31.823 -0.600 0.000 0.642 189 V HN 0.673 nan 8.190 nan 0.000 0.446 190 G N 0.243 108.826 108.800 -0.361 0.000 2.491 190 G HA2 -0.334 3.624 3.960 -0.004 0.000 0.218 190 G HA3 -0.334 3.624 3.960 -0.004 0.000 0.218 190 G C 1.666 176.437 174.900 -0.215 0.000 1.180 190 G CA 1.886 46.582 45.100 -0.673 0.000 0.774 190 G HN 0.597 nan 8.290 nan 0.000 0.562 191 T N -1.974 112.487 114.554 -0.154 0.000 3.148 191 T HA 0.546 4.893 4.350 -0.004 0.000 0.253 191 T C 2.157 176.883 174.700 0.042 0.000 1.134 191 T CA 1.219 63.327 62.100 0.013 0.000 1.051 191 T CB 0.344 69.242 68.868 0.050 0.000 0.959 191 T HN 0.335 nan 8.240 nan 0.000 0.525 192 A N 1.665 124.513 122.820 0.048 0.000 1.924 192 A HA 0.337 4.654 4.320 -0.004 0.000 0.211 192 A C 2.437 180.087 177.584 0.110 0.000 1.198 192 A CA 0.915 53.019 52.037 0.112 0.000 0.657 192 A CB -0.596 18.535 19.000 0.219 0.000 0.852 192 A HN 0.690 nan 8.150 nan 0.000 0.454 193 V N -2.743 117.252 119.914 0.135 0.000 2.951 193 V HA 0.228 4.346 4.120 -0.004 0.000 0.255 193 V C 2.310 178.435 176.094 0.053 0.000 1.088 193 V CA 1.279 63.675 62.300 0.159 0.000 1.109 193 V CB -0.907 31.075 31.823 0.264 0.000 0.724 193 V HN 0.433 nan 8.190 nan 0.000 0.471 194 A N 1.519 124.273 122.820 -0.111 0.000 1.883 194 A HA -0.007 4.311 4.320 -0.004 0.000 0.217 194 A C 0.733 178.020 177.584 -0.494 0.000 1.186 194 A CA 2.186 53.927 52.037 -0.493 0.000 0.624 194 A CB -1.941 16.563 19.000 -0.826 0.000 0.822 194 A HN 0.612 nan 8.150 nan 0.000 0.444 195 P HA -0.089 nan 4.420 nan 0.000 0.217 195 P C 1.341 178.688 177.300 0.078 0.000 1.150 195 P CA 0.859 63.913 63.100 -0.077 0.000 0.832 195 P CB -0.105 31.627 31.700 0.054 0.000 0.787 196 I N -1.253 119.389 120.570 0.119 0.000 2.202 196 I HA -0.166 4.001 4.170 -0.004 0.000 0.242 196 I C 2.329 178.706 176.117 0.433 0.000 1.091 196 I CA 1.196 62.672 61.300 0.293 0.000 1.368 196 I CB -0.654 37.447 38.000 0.169 0.000 1.058 196 I HN -0.174 nan 8.210 nan 0.000 0.410 197 V N 0.895 120.941 119.914 0.221 0.000 2.809 197 V HA -0.190 3.928 4.120 -0.004 0.000 0.256 197 V C 2.298 178.424 176.094 0.053 0.000 1.080 197 V CA 2.280 64.675 62.300 0.159 0.000 1.102 197 V CB -0.596 31.296 31.823 0.115 0.000 0.705 197 V HN 0.654 nan 8.190 nan 0.000 0.475 198 T N -2.759 111.815 114.554 0.034 0.000 3.194 198 T HA 0.295 4.643 4.350 -0.004 0.000 0.251 198 T C 1.454 176.191 174.700 0.062 0.000 1.132 198 T CA 0.732 62.839 62.100 0.012 0.000 1.028 198 T CB 0.259 69.116 68.868 -0.019 0.000 0.976 198 T HN 1.080 nan 8.240 nan 0.000 0.535 199 G N 1.386 110.243 108.800 0.095 0.000 2.175 199 G HA2 -0.240 3.717 3.960 -0.004 0.000 0.244 199 G HA3 -0.240 3.717 3.960 -0.004 0.000 0.244 199 G C 0.032 175.205 174.900 0.454 0.000 0.982 199 G CA -0.241 44.882 45.100 0.037 0.000 0.641 199 G HN 0.596 nan 8.290 nan 0.000 0.527 200 N N 0.897 119.862 118.700 0.441 0.000 2.408 200 N HA 0.537 5.275 4.740 -0.004 0.000 0.260 200 N C 0.509 176.273 175.510 0.423 0.000 1.242 200 N CA 0.907 54.203 53.050 0.410 0.000 0.959 200 N CB 0.935 39.523 38.487 0.168 0.000 1.201 200 N HN 0.581 nan 8.380 nan 0.000 0.511 201 T N -3.127 111.575 114.554 0.247 0.000 2.932 201 T HA 0.641 4.989 4.350 -0.004 0.000 0.289 201 T C -0.356 174.360 174.700 0.026 0.000 1.039 201 T CA -0.760 61.397 62.100 0.095 0.000 1.024 201 T CB 1.240 70.168 68.868 0.099 0.000 1.090 201 T HN 0.102 nan 8.240 nan 0.000 0.496 202 V N 1.667 121.576 119.914 -0.008 0.000 2.540 202 V HA 0.507 4.625 4.120 -0.004 0.000 0.302 202 V C -0.440 175.657 176.094 0.004 0.000 1.035 202 V CA -0.870 61.435 62.300 0.008 0.000 0.873 202 V CB 2.035 33.876 31.823 0.029 0.000 0.992 202 V HN 0.900 nan 8.190 nan 0.000 0.428 203 V N 5.950 125.870 119.914 0.010 0.000 2.333 203 V HA 0.378 4.496 4.120 -0.004 0.000 0.274 203 V C -0.252 175.866 176.094 0.039 0.000 1.028 203 V CA -0.417 61.893 62.300 0.016 0.000 0.851 203 V CB 1.288 33.111 31.823 0.000 0.000 1.000 203 V HN 0.656 nan 8.190 nan 0.000 0.456 204 L N 6.007 127.263 121.223 0.055 0.000 2.257 204 L HA 0.539 4.877 4.340 -0.004 0.000 0.290 204 L C -0.034 176.857 176.870 0.035 0.000 1.044 204 L CA 0.216 55.103 54.840 0.079 0.000 0.810 204 L CB 0.805 42.949 42.059 0.141 0.000 1.193 204 L HN 0.389 nan 8.230 nan 0.000 0.425 205 K N 7.748 128.171 120.400 0.040 0.000 2.354 205 K HA 0.468 4.786 4.320 -0.004 0.000 0.257 205 K C -2.658 173.968 176.600 0.042 0.000 1.062 205 K CA -1.993 54.300 56.287 0.009 0.000 0.971 205 K CB 1.101 33.626 32.500 0.042 0.000 1.305 205 K HN 0.423 nan 8.250 nan 0.000 0.449 206 P HA 0.122 nan 4.420 nan 0.000 0.276 206 P C -0.676 176.681 177.300 0.095 0.000 1.261 206 P CA -0.550 62.605 63.100 0.092 0.000 0.800 206 P CB 0.550 32.339 31.700 0.149 0.000 1.066 207 A N 1.036 123.941 122.820 0.141 0.000 2.520 207 A HA 0.190 4.508 4.320 -0.004 0.000 0.245 207 A C 1.566 179.237 177.584 0.145 0.000 1.072 207 A CA 0.339 52.486 52.037 0.184 0.000 0.761 207 A CB -0.654 18.532 19.000 0.311 0.000 1.004 207 A HN 0.565 nan 8.150 nan 0.000 0.499 208 S N 1.447 117.214 115.700 0.111 0.000 2.507 208 S HA -0.141 4.327 4.470 -0.004 0.000 0.235 208 S C 1.451 176.091 174.600 0.067 0.000 0.988 208 S CA 1.390 59.632 58.200 0.071 0.000 0.944 208 S CB -0.759 62.473 63.200 0.054 0.000 0.762 208 S HN 1.117 nan 8.310 nan 0.000 0.526 209 T N -0.579 114.019 114.554 0.074 0.000 3.043 209 T HA 0.050 4.398 4.350 -0.004 0.000 0.263 209 T C 1.178 175.941 174.700 0.105 0.000 1.094 209 T CA 0.959 63.086 62.100 0.046 0.000 1.127 209 T CB -0.569 68.242 68.868 -0.095 0.000 0.905 209 T HN 0.566 nan 8.240 nan 0.000 0.490 210 T N -0.549 114.100 114.554 0.158 0.000 3.624 210 T HA 0.428 4.776 4.350 -0.004 0.000 0.244 210 T C -2.042 172.733 174.700 0.124 0.000 1.063 210 T CA -1.121 61.078 62.100 0.164 0.000 1.252 210 T CB 1.199 70.211 68.868 0.240 0.000 1.021 210 T HN 0.117 nan 8.240 nan 0.000 0.590 211 P HA 0.133 nan 4.420 nan 0.000 0.235 211 P C 1.513 178.834 177.300 0.035 0.000 1.177 211 P CA 0.045 63.216 63.100 0.117 0.000 0.785 211 P CB 0.197 31.959 31.700 0.104 0.000 0.885 212 V N 0.473 120.310 119.914 -0.130 0.000 2.307 212 V HA -0.151 3.967 4.120 -0.004 0.000 0.245 212 V C 2.662 178.448 176.094 -0.512 0.000 1.045 212 V CA 1.585 63.597 62.300 -0.480 0.000 1.024 212 V CB -1.141 30.405 31.823 -0.461 0.000 0.651 212 V HN -0.024 nan 8.190 nan 0.000 0.449 213 V N 0.170 119.935 119.914 -0.249 0.000 2.594 213 V HA -0.217 3.901 4.120 -0.004 0.000 0.253 213 V C 2.497 178.572 176.094 -0.032 0.000 1.069 213 V CA 2.048 64.256 62.300 -0.153 0.000 1.082 213 V CB -0.281 31.585 31.823 0.072 0.000 0.680 213 V HN 0.522 nan 8.190 nan 0.000 0.469 214 A N -0.364 122.461 122.820 0.008 0.000 1.897 214 A HA 0.045 4.363 4.320 -0.004 0.000 0.215 214 A C 2.433 179.943 177.584 -0.123 0.000 1.181 214 A CA 1.709 53.814 52.037 0.114 0.000 0.620 214 A CB -0.871 18.293 19.000 0.275 0.000 0.821 214 A HN 0.735 nan 8.150 nan 0.000 0.443 215 A N -0.132 122.395 122.820 -0.488 0.000 1.908 215 A HA -0.191 4.127 4.320 -0.004 0.000 0.218 215 A C 2.055 179.353 177.584 -0.478 0.000 1.181 215 A CA 2.295 53.789 52.037 -0.905 0.000 0.627 215 A CB -0.409 18.053 19.000 -0.896 0.000 0.818 215 A HN 0.392 nan 8.150 nan 0.000 0.445 216 K N -1.142 119.026 120.400 -0.388 0.000 2.057 216 K HA -0.075 4.243 4.320 -0.004 0.000 0.207 216 K C 1.550 178.194 176.600 0.074 0.000 1.049 216 K CA 1.467 57.614 56.287 -0.233 0.000 0.931 216 K CB -0.535 31.697 32.500 -0.446 0.000 0.714 216 K HN 0.532 nan 8.250 nan 0.000 0.440 217 F N 0.164 120.122 119.950 0.015 0.000 2.206 217 F HA -0.105 4.420 4.527 -0.004 0.000 0.298 217 F C 1.655 177.438 175.800 -0.028 0.000 1.090 217 F CA 0.776 58.801 58.000 0.041 0.000 1.323 217 F CB -0.331 38.678 39.000 0.014 0.000 1.028 217 F HN -0.236 nan 8.300 nan 0.000 0.492 218 V N 0.877 120.616 119.914 -0.291 0.000 2.332 218 V HA -0.321 3.797 4.120 -0.004 0.000 0.248 218 V C 2.282 178.194 176.094 -0.303 0.000 1.055 218 V CA 2.385 64.466 62.300 -0.366 0.000 1.038 218 V CB -0.726 30.947 31.823 -0.250 0.000 0.651 218 V HN 0.375 nan 8.190 nan 0.000 0.450 219 E N -0.325 119.747 120.200 -0.213 0.000 2.110 219 E HA -0.178 4.170 4.350 -0.004 0.000 0.193 219 E C 2.244 178.777 176.600 -0.111 0.000 0.988 219 E CA 1.433 57.753 56.400 -0.134 0.000 0.804 219 E CB -0.220 29.427 29.700 -0.087 0.000 0.745 219 E HN 0.481 nan 8.360 nan 0.000 0.458 220 V N 1.585 121.437 119.914 -0.104 0.000 2.287 220 V HA -0.275 3.843 4.120 -0.004 0.000 0.248 220 V C 2.337 178.328 176.094 -0.171 0.000 1.053 220 V CA 1.543 63.800 62.300 -0.071 0.000 1.027 220 V CB -0.454 31.378 31.823 0.015 0.000 0.646 220 V HN 0.274 nan 8.190 nan 0.000 0.447 221 L N -0.421 120.585 121.223 -0.363 0.000 2.046 221 L HA -0.216 4.122 4.340 -0.004 0.000 0.208 221 L C 2.621 179.379 176.870 -0.186 0.000 1.077 221 L CA 1.763 56.414 54.840 -0.315 0.000 0.747 221 L CB -0.642 41.139 42.059 -0.464 0.000 0.896 221 L HN 0.403 nan 8.230 nan 0.000 0.432 222 E N -0.050 120.045 120.200 -0.175 0.000 2.058 222 E HA -0.244 4.104 4.350 -0.004 0.000 0.194 222 E C 1.745 178.302 176.600 -0.072 0.000 0.997 222 E CA 1.480 57.812 56.400 -0.114 0.000 0.801 222 E CB -0.084 29.555 29.700 -0.103 0.000 0.746 222 E HN 0.471 nan 8.360 nan 0.000 0.450 223 D N 0.138 120.502 120.400 -0.061 0.000 2.178 223 D HA -0.071 4.567 4.640 -0.004 0.000 0.202 223 D C 1.732 178.022 176.300 -0.016 0.000 0.974 223 D CA 1.018 55.001 54.000 -0.027 0.000 0.841 223 D CB -0.128 40.667 40.800 -0.009 0.000 0.953 223 D HN 0.146 nan 8.370 nan 0.000 0.478 224 A N -0.240 122.565 122.820 -0.025 0.000 2.168 224 A HA 0.300 4.617 4.320 -0.004 0.000 0.215 224 A C 1.717 179.305 177.584 0.006 0.000 1.152 224 A CA 1.460 53.496 52.037 -0.003 0.000 0.716 224 A CB -0.095 18.905 19.000 0.000 0.000 0.794 224 A HN 0.294 nan 8.150 nan 0.000 0.465 225 G N -2.155 106.638 108.800 -0.012 0.000 2.148 225 G HA2 -0.080 3.878 3.960 -0.004 0.000 0.157 225 G HA3 -0.080 3.878 3.960 -0.004 0.000 0.157 225 G C -0.121 174.777 174.900 -0.004 0.000 1.012 225 G CA -0.065 45.037 45.100 0.004 0.000 0.677 225 G HN 0.569 nan 8.290 nan 0.000 0.506 226 L N 2.145 123.331 121.223 -0.062 0.000 2.410 226 L HA 0.545 4.883 4.340 -0.004 0.000 0.273 226 L C -1.413 175.365 176.870 -0.154 0.000 1.144 226 L CA -1.309 53.440 54.840 -0.151 0.000 0.863 226 L CB 0.225 42.141 42.059 -0.238 0.000 1.140 226 L HN 0.001 nan 8.230 nan 0.000 0.463 227 P HA 0.100 nan 4.420 nan 0.000 0.269 227 P C -1.336 175.871 177.300 -0.155 0.000 1.215 227 P CA -0.445 62.590 63.100 -0.109 0.000 0.780 227 P CB 0.250 31.925 31.700 -0.042 0.000 0.898 228 K N 0.990 121.337 120.400 -0.088 0.000 2.436 228 K HA 0.326 4.644 4.320 -0.004 0.000 0.275 228 K C 1.036 177.585 176.600 -0.086 0.000 0.999 228 K CA 0.051 56.290 56.287 -0.079 0.000 0.980 228 K CB -0.572 31.904 32.500 -0.041 0.000 0.919 228 K HN 0.690 nan 8.250 nan 0.000 0.484 229 G N 0.992 109.743 108.800 -0.082 0.000 2.234 229 G HA2 -0.318 3.640 3.960 -0.004 0.000 0.260 229 G HA3 -0.318 3.640 3.960 -0.004 0.000 0.260 229 G C 0.785 175.620 174.900 -0.108 0.000 0.987 229 G CA 0.260 45.321 45.100 -0.066 0.000 0.625 229 G HN 0.431 nan 8.290 nan 0.000 0.532 230 V N 0.262 120.046 119.914 -0.218 0.000 2.358 230 V HA 0.221 4.339 4.120 -0.004 0.000 0.246 230 V C 1.618 177.565 176.094 -0.245 0.000 1.047 230 V CA 1.975 64.056 62.300 -0.365 0.000 1.035 230 V CB -0.128 31.193 31.823 -0.836 0.000 0.658 230 V HN 0.559 nan 8.190 nan 0.000 0.452 231 I N 0.057 120.511 120.570 -0.194 0.000 2.603 231 I HA 0.415 4.583 4.170 -0.004 0.000 0.300 231 I C -0.892 175.200 176.117 -0.043 0.000 1.017 231 I CA -0.438 60.804 61.300 -0.096 0.000 1.098 231 I CB 1.577 39.522 38.000 -0.092 0.000 1.279 231 I HN 0.211 nan 8.210 nan 0.000 0.437 232 N N 6.250 124.956 118.700 0.010 0.000 2.352 232 N HA 0.180 4.918 4.740 -0.004 0.000 0.291 232 N C -1.786 173.785 175.510 0.103 0.000 1.040 232 N CA -0.439 52.637 53.050 0.042 0.000 0.864 232 N CB 2.118 40.614 38.487 0.016 0.000 1.440 232 N HN 0.513 nan 8.380 nan 0.000 0.483 233 Y N 2.223 122.518 120.300 -0.008 0.000 2.454 233 Y HA 0.378 4.926 4.550 -0.004 0.000 0.345 233 Y C -0.515 175.395 175.900 0.016 0.000 0.970 233 Y CA -0.332 57.772 58.100 0.007 0.000 1.204 233 Y CB 0.674 39.134 38.460 -0.001 0.000 1.122 233 Y HN 0.263 nan 8.280 nan 0.000 0.514 234 V N 10.099 129.816 119.914 -0.329 0.000 2.464 234 V HA 0.305 4.423 4.120 -0.004 0.000 0.255 234 V C -2.374 173.550 176.094 -0.284 0.000 0.946 234 V CA -1.923 60.220 62.300 -0.261 0.000 0.988 234 V CB 0.800 32.573 31.823 -0.084 0.000 1.210 234 V HN 0.692 nan 8.190 nan 0.000 0.523 235 P HA 0.522 nan 4.420 nan 0.000 0.272 235 P C 0.113 177.340 177.300 -0.121 0.000 1.230 235 P CA 0.623 63.570 63.100 -0.255 0.000 0.788 235 P CB 1.734 33.260 31.700 -0.289 0.000 0.949 236 G N 0.005 108.773 108.800 -0.052 0.000 2.320 236 G HA2 0.393 4.351 3.960 -0.004 0.000 0.296 236 G HA3 0.393 4.351 3.960 -0.004 0.000 0.296 236 G C -0.918 173.991 174.900 0.015 0.000 1.306 236 G CA -0.328 44.762 45.100 -0.016 0.000 0.836 236 G HN 0.643 nan 8.290 nan 0.000 0.517 237 S N -0.734 114.980 115.700 0.023 0.000 2.603 237 S HA 0.520 4.988 4.470 -0.004 0.000 0.268 237 S C 1.742 176.373 174.600 0.052 0.000 1.317 237 S CA 0.780 59.003 58.200 0.039 0.000 1.012 237 S CB 1.301 64.521 63.200 0.033 0.000 0.926 237 S HN 1.969 nan 8.310 nan 0.000 0.539 238 G N 0.920 109.759 108.800 0.064 0.000 2.432 238 G HA2 0.018 3.976 3.960 -0.004 0.000 0.219 238 G HA3 0.018 3.976 3.960 -0.004 0.000 0.219 238 G C 1.449 176.390 174.900 0.069 0.000 1.135 238 G CA 0.720 45.866 45.100 0.076 0.000 0.767 238 G HN 1.081 nan 8.290 nan 0.000 0.550 239 A N 0.822 123.675 122.820 0.056 0.000 1.872 239 A HA 0.095 4.412 4.320 -0.004 0.000 0.214 239 A C 2.177 179.794 177.584 0.055 0.000 1.187 239 A CA 1.669 53.737 52.037 0.051 0.000 0.614 239 A CB -0.240 18.783 19.000 0.038 0.000 0.826 239 A HN 0.413 nan 8.150 nan 0.000 0.442 240 E N -0.620 119.604 120.200 0.040 0.000 2.112 240 E HA -0.040 4.308 4.350 -0.004 0.000 0.190 240 E C 1.782 178.405 176.600 0.039 0.000 0.979 240 E CA 1.354 57.765 56.400 0.018 0.000 0.814 240 E CB -0.026 29.670 29.700 -0.007 0.000 0.762 240 E HN 0.438 nan 8.360 nan 0.000 0.460 241 V N -0.170 119.784 119.914 0.066 0.000 2.840 241 V HA 0.083 4.201 4.120 -0.004 0.000 0.234 241 V C 2.241 178.421 176.094 0.143 0.000 1.159 241 V CA 1.106 63.465 62.300 0.098 0.000 1.194 241 V CB -0.555 31.298 31.823 0.051 0.000 0.971 241 V HN 0.304 nan 8.190 nan 0.000 0.494 242 G N 0.394 109.259 108.800 0.109 0.000 2.446 242 G HA2 -0.264 3.693 3.960 -0.004 0.000 0.217 242 G HA3 -0.264 3.693 3.960 -0.004 0.000 0.217 242 G C 1.183 176.146 174.900 0.105 0.000 1.168 242 G CA 1.369 46.535 45.100 0.109 0.000 0.771 242 G HN 0.478 nan 8.290 nan 0.000 0.551 243 D N -0.775 119.687 120.400 0.102 0.000 2.144 243 D HA -0.088 4.550 4.640 -0.004 0.000 0.200 243 D C 1.963 178.325 176.300 0.103 0.000 0.978 243 D CA 0.659 54.709 54.000 0.083 0.000 0.833 243 D CB -0.289 40.555 40.800 0.074 0.000 0.961 243 D HN 0.384 nan 8.370 nan 0.000 0.470 244 Y N 1.561 121.884 120.300 0.040 0.000 2.181 244 Y HA -0.144 4.404 4.550 -0.004 0.000 0.288 244 Y C 2.237 178.192 175.900 0.091 0.000 1.146 244 Y CA 1.213 59.348 58.100 0.058 0.000 1.164 244 Y CB -0.285 38.209 38.460 0.058 0.000 0.982 244 Y HN -0.100 nan 8.280 nan 0.000 0.515 245 L N -1.472 119.834 121.223 0.138 0.000 2.017 245 L HA -0.234 4.104 4.340 -0.004 0.000 0.208 245 L C 2.369 179.246 176.870 0.011 0.000 1.073 245 L CA 1.240 56.117 54.840 0.063 0.000 0.745 245 L CB -0.921 41.190 42.059 0.087 0.000 0.894 245 L HN 0.093 nan 8.230 nan 0.000 0.432 246 V N -0.166 119.760 119.914 0.019 0.000 2.343 246 V HA -0.286 3.831 4.120 -0.004 0.000 0.247 246 V C 1.774 177.847 176.094 -0.035 0.000 1.051 246 V CA 1.932 64.232 62.300 0.000 0.000 1.036 246 V CB -0.421 31.403 31.823 0.003 0.000 0.654 246 V HN 0.419 nan 8.190 nan 0.000 0.451 247 D N -2.166 118.192 120.400 -0.071 0.000 2.355 247 D HA -0.002 4.636 4.640 -0.004 0.000 0.218 247 D C 1.013 177.212 176.300 -0.170 0.000 1.004 247 D CA 0.182 54.113 54.000 -0.115 0.000 0.880 247 D CB -0.309 40.422 40.800 -0.114 0.000 0.911 247 D HN 0.418 nan 8.370 nan 0.000 0.528 248 H N 1.559 120.464 119.070 -0.275 0.000 2.928 248 H HA -0.012 4.542 4.556 -0.003 0.000 0.338 248 H C -1.454 173.782 175.328 -0.154 0.000 1.047 248 H CA -0.803 55.071 56.048 -0.290 0.000 1.435 248 H CB 1.554 31.144 29.762 -0.287 0.000 1.428 248 H HN -0.056 nan 8.280 nan 0.000 0.590 249 P HA -0.066 nan 4.420 nan 0.000 0.226 249 P C 0.667 178.055 177.300 0.146 0.000 1.153 249 P CA 1.132 64.183 63.100 -0.082 0.000 0.777 249 P CB 0.334 31.941 31.700 -0.155 0.000 0.794 250 K N -0.979 119.646 120.400 0.375 0.000 2.393 250 K HA 0.099 4.416 4.320 -0.004 0.000 0.193 250 K C 0.363 177.039 176.600 0.126 0.000 1.026 250 K CA 0.240 56.679 56.287 0.254 0.000 1.064 250 K CB -0.008 32.597 32.500 0.175 0.000 0.833 250 K HN 0.062 nan 8.250 nan 0.000 0.521 251 T N 0.794 115.434 114.554 0.143 0.000 2.799 251 T HA 0.045 4.393 4.350 -0.004 0.000 0.296 251 T C 0.916 175.684 174.700 0.113 0.000 0.947 251 T CA 0.107 62.239 62.100 0.054 0.000 1.141 251 T CB 1.315 70.209 68.868 0.043 0.000 0.891 251 T HN -0.025 nan 8.240 nan 0.000 0.533 252 S N 2.805 118.465 115.700 -0.067 0.000 2.502 252 S HA 0.331 4.799 4.470 -0.004 0.000 0.228 252 S C 0.376 174.926 174.600 -0.084 0.000 1.061 252 S CA -0.075 58.015 58.200 -0.184 0.000 0.935 252 S CB 0.201 63.166 63.200 -0.393 0.000 0.809 252 S HN 0.523 nan 8.310 nan 0.000 0.510 253 L N 1.403 122.584 121.223 -0.069 0.000 2.408 253 L HA 0.601 4.938 4.340 -0.004 0.000 0.268 253 L C -1.943 174.923 176.870 -0.007 0.000 0.986 253 L CA -0.708 54.105 54.840 -0.046 0.000 0.820 253 L CB 2.010 44.036 42.059 -0.054 0.000 1.303 253 L HN 0.114 nan 8.230 nan 0.000 0.411 254 I N 2.277 122.852 120.570 0.008 0.000 2.418 254 I HA 0.350 4.517 4.170 -0.004 0.000 0.287 254 I C -0.529 175.640 176.117 0.087 0.000 1.008 254 I CA -0.186 61.147 61.300 0.055 0.000 1.104 254 I CB 2.236 40.270 38.000 0.057 0.000 1.264 254 I HN 0.457 nan 8.210 nan 0.000 0.438 255 T N 5.078 119.706 114.554 0.124 0.000 2.772 255 T HA 0.492 4.839 4.350 -0.004 0.000 0.288 255 T C -0.741 174.096 174.700 0.229 0.000 0.994 255 T CA -0.452 61.744 62.100 0.161 0.000 0.951 255 T CB 0.780 69.740 68.868 0.154 0.000 0.933 255 T HN 0.265 nan 8.240 nan 0.000 0.447 256 F N 2.604 122.609 119.950 0.093 0.000 2.482 256 F HA 0.610 5.135 4.527 -0.003 0.000 0.331 256 F C -0.483 175.378 175.800 0.101 0.000 1.115 256 F CA -0.378 57.678 58.000 0.094 0.000 0.955 256 F CB 1.753 40.809 39.000 0.093 0.000 1.136 256 F HN 0.477 nan 8.300 nan 0.000 0.452 257 T N 4.440 118.590 114.554 -0.674 0.000 2.841 257 T HA 0.813 5.160 4.350 -0.004 0.000 0.285 257 T C -0.156 173.943 174.700 -1.001 0.000 0.991 257 T CA -0.358 61.399 62.100 -0.571 0.000 0.966 257 T CB 1.292 70.042 68.868 -0.197 0.000 0.962 257 T HN 1.093 nan 8.240 nan 0.000 0.438 258 G N 1.782 110.201 108.800 -0.636 0.000 2.399 258 G HA2 0.468 4.426 3.960 -0.004 0.000 0.256 258 G HA3 0.468 4.426 3.960 -0.004 0.000 0.256 258 G C -0.653 174.294 174.900 0.078 0.000 1.236 258 G CA -0.223 44.682 45.100 -0.325 0.000 0.914 258 G HN 0.966 nan 8.290 nan 0.000 0.482 259 S N -0.211 115.603 115.700 0.189 0.000 2.632 259 S HA 0.426 4.893 4.470 -0.004 0.000 0.267 259 S C 1.363 176.105 174.600 0.237 0.000 1.276 259 S CA 0.588 58.866 58.200 0.130 0.000 0.998 259 S CB 1.965 65.196 63.200 0.052 0.000 0.953 259 S HN 0.922 nan 8.310 nan 0.000 0.547 260 K N 0.464 120.978 120.400 0.189 0.000 2.009 260 K HA -0.188 4.129 4.320 -0.004 0.000 0.210 260 K C 1.138 177.790 176.600 0.087 0.000 1.049 260 K CA 2.000 58.386 56.287 0.164 0.000 0.929 260 K CB -0.552 32.069 32.500 0.201 0.000 0.714 260 K HN 0.683 nan 8.250 nan 0.000 0.440 261 D N 0.214 120.666 120.400 0.086 0.000 2.149 261 D HA -0.134 4.504 4.640 -0.004 0.000 0.198 261 D C 1.907 178.222 176.300 0.024 0.000 0.990 261 D CA 1.000 55.031 54.000 0.052 0.000 0.839 261 D CB 0.019 40.857 40.800 0.063 0.000 0.948 261 D HN 0.079 nan 8.370 nan 0.000 0.460 262 V N 0.303 120.243 119.914 0.044 0.000 2.379 262 V HA -0.026 4.091 4.120 -0.004 0.000 0.243 262 V C 2.537 178.459 176.094 -0.286 0.000 1.035 262 V CA 1.709 63.998 62.300 -0.019 0.000 1.035 262 V CB -0.803 31.110 31.823 0.150 0.000 0.673 262 V HN 0.202 nan 8.190 nan 0.000 0.457 263 G N -0.148 108.442 108.800 -0.351 0.000 2.450 263 G HA2 -0.195 3.762 3.960 -0.004 0.000 0.220 263 G HA3 -0.195 3.762 3.960 -0.004 0.000 0.220 263 G C 1.657 176.404 174.900 -0.255 0.000 1.130 263 G CA 1.276 46.010 45.100 -0.611 0.000 0.760 263 G HN 0.359 nan 8.290 nan 0.000 0.557 264 V N 0.122 119.968 119.914 -0.113 0.000 2.379 264 V HA -0.078 4.040 4.120 -0.004 0.000 0.245 264 V C 2.824 178.914 176.094 -0.008 0.000 1.044 264 V CA 1.863 64.137 62.300 -0.042 0.000 1.036 264 V CB -0.379 31.425 31.823 -0.031 0.000 0.664 264 V HN 0.316 nan 8.190 nan 0.000 0.453 265 R N -0.517 119.955 120.500 -0.045 0.000 2.081 265 R HA -0.155 4.183 4.340 -0.004 0.000 0.235 265 R C 2.355 178.626 176.300 -0.049 0.000 1.131 265 R CA 1.783 57.862 56.100 -0.034 0.000 0.960 265 R CB -0.359 29.920 30.300 -0.035 0.000 0.856 265 R HN 0.498 nan 8.270 nan 0.000 0.436 266 L N -0.312 120.843 121.223 -0.113 0.000 2.017 266 L HA -0.239 4.099 4.340 -0.004 0.000 0.208 266 L C 2.147 178.986 176.870 -0.051 0.000 1.073 266 L CA 1.641 56.406 54.840 -0.124 0.000 0.745 266 L CB -0.483 41.402 42.059 -0.291 0.000 0.894 266 L HN 0.203 nan 8.230 nan 0.000 0.432 267 Y N 0.804 121.016 120.300 -0.145 0.000 2.128 267 Y HA -0.335 4.213 4.550 -0.004 0.000 0.284 267 Y C 2.458 178.319 175.900 -0.064 0.000 1.154 267 Y CA 2.364 60.411 58.100 -0.088 0.000 1.149 267 Y CB -0.043 38.372 38.460 -0.075 0.000 0.976 267 Y HN 0.342 nan 8.280 nan 0.000 0.505 268 E N -0.537 119.694 120.200 0.051 0.000 2.072 268 E HA -0.183 4.164 4.350 -0.004 0.000 0.191 268 E C 2.272 178.828 176.600 -0.073 0.000 0.985 268 E CA 1.007 57.398 56.400 -0.014 0.000 0.801 268 E CB -0.129 29.586 29.700 0.026 0.000 0.750 268 E HN 0.492 nan 8.360 nan 0.000 0.452 269 R N 0.549 121.011 120.500 -0.063 0.000 2.090 269 R HA -0.012 4.326 4.340 -0.004 0.000 0.228 269 R C 2.374 178.616 176.300 -0.097 0.000 1.110 269 R CA 0.949 57.007 56.100 -0.069 0.000 0.973 269 R CB -0.243 30.027 30.300 -0.050 0.000 0.869 269 R HN 0.083 nan 8.270 nan 0.000 0.440 270 A N 1.285 124.033 122.820 -0.120 0.000 1.972 270 A HA -0.103 4.215 4.320 -0.004 0.000 0.219 270 A C 2.275 179.757 177.584 -0.170 0.000 1.169 270 A CA 1.668 53.623 52.037 -0.137 0.000 0.635 270 A CB -0.435 18.479 19.000 -0.144 0.000 0.810 270 A HN 0.390 nan 8.150 nan 0.000 0.446 271 A N -0.444 122.247 122.820 -0.214 0.000 2.067 271 A HA 0.283 4.601 4.320 -0.004 0.000 0.217 271 A C 1.293 178.790 177.584 -0.144 0.000 1.156 271 A CA 0.875 52.788 52.037 -0.207 0.000 0.683 271 A CB -0.906 17.945 19.000 -0.249 0.000 0.808 271 A HN 1.082 nan 8.150 nan 0.000 0.455 272 V N 0.772 120.612 119.914 -0.124 0.000 2.555 272 V HA 0.386 4.504 4.120 -0.004 0.000 0.286 272 V C -0.114 175.907 176.094 -0.121 0.000 1.044 272 V CA -0.397 61.840 62.300 -0.105 0.000 1.026 272 V CB 1.117 32.890 31.823 -0.083 0.000 0.981 272 V HN 0.107 nan 8.190 nan 0.000 0.480 273 V N 8.841 128.684 119.914 -0.118 0.000 2.370 273 V HA 0.397 4.515 4.120 -0.004 0.000 0.257 273 V C 0.804 176.823 176.094 -0.126 0.000 1.064 273 V CA -0.539 61.676 62.300 -0.142 0.000 0.975 273 V CB -0.043 31.702 31.823 -0.130 0.000 1.067 273 V HN 0.921 nan 8.190 nan 0.000 0.485 274 R N 5.644 126.058 120.500 -0.143 0.000 2.707 274 R HA 0.317 4.655 4.340 -0.004 0.000 0.270 274 R C -2.338 173.890 176.300 -0.120 0.000 1.083 274 R CA -2.233 53.791 56.100 -0.127 0.000 1.182 274 R CB -0.312 29.900 30.300 -0.147 0.000 1.084 274 R HN 0.346 nan 8.270 nan 0.000 0.528 275 P HA -0.031 nan 4.420 nan 0.000 0.262 275 P C 0.601 177.845 177.300 -0.093 0.000 1.182 275 P CA 0.778 63.827 63.100 -0.085 0.000 0.761 275 P CB 0.224 31.882 31.700 -0.070 0.000 0.795 276 G N 1.696 110.452 108.800 -0.073 0.000 2.168 276 G HA2 -0.298 3.660 3.960 -0.004 0.000 0.263 276 G HA3 -0.298 3.660 3.960 -0.004 0.000 0.263 276 G C 0.165 175.024 174.900 -0.068 0.000 0.977 276 G CA 0.168 45.232 45.100 -0.059 0.000 0.659 276 G HN 0.710 nan 8.290 nan 0.000 0.533 277 Q N 0.548 120.278 119.800 -0.117 0.000 2.296 277 Q HA 0.440 4.778 4.340 -0.004 0.000 0.257 277 Q C 1.084 176.971 176.000 -0.188 0.000 0.942 277 Q CA -0.197 55.487 55.803 -0.198 0.000 0.939 277 Q CB 0.331 28.892 28.738 -0.295 0.000 1.198 277 Q HN 0.384 nan 8.270 nan 0.000 0.429 278 N N 3.905 122.544 118.700 -0.102 0.000 2.251 278 N HA 0.001 4.739 4.740 -0.004 0.000 0.217 278 N C -0.801 174.740 175.510 0.052 0.000 1.124 278 N CA 0.006 53.059 53.050 0.004 0.000 0.843 278 N CB 0.253 38.784 38.487 0.073 0.000 1.024 278 N HN 0.685 nan 8.380 nan 0.000 0.501 279 H N -2.045 117.001 119.070 -0.039 0.000 2.990 279 H HA 0.378 4.932 4.556 -0.003 0.000 0.336 279 H C -1.359 173.937 175.328 -0.054 0.000 1.306 279 H CA -0.972 55.050 56.048 -0.044 0.000 1.118 279 H CB 0.619 30.353 29.762 -0.046 0.000 1.856 279 H HN -0.164 nan 8.280 nan 0.000 0.538 280 L N 1.796 123.056 121.223 0.063 0.000 2.292 280 L HA 0.360 4.698 4.340 -0.004 0.000 0.284 280 L C 0.282 177.208 176.870 0.092 0.000 1.065 280 L CA -0.742 54.098 54.840 0.001 0.000 0.806 280 L CB 1.100 43.147 42.059 -0.020 0.000 1.175 280 L HN 0.358 nan 8.230 nan 0.000 0.431 281 K N 3.596 124.018 120.400 0.037 0.000 2.349 281 K HA 0.218 4.536 4.320 -0.004 0.000 0.288 281 K C -0.097 176.488 176.600 -0.025 0.000 1.058 281 K CA -0.294 56.025 56.287 0.054 0.000 0.953 281 K CB 0.791 33.292 32.500 0.001 0.000 0.997 281 K HN 0.425 nan 8.250 nan 0.000 0.477 282 R N 2.397 122.882 120.500 -0.025 0.000 2.389 282 R HA 0.186 4.524 4.340 -0.004 0.000 0.295 282 R C -0.912 175.358 176.300 -0.051 0.000 1.075 282 R CA -0.297 55.771 56.100 -0.053 0.000 1.005 282 R CB 0.622 30.878 30.300 -0.073 0.000 0.987 282 R HN 0.309 nan 8.270 nan 0.000 0.452 283 V N 6.481 126.378 119.914 -0.029 0.000 2.531 283 V HA 0.398 4.516 4.120 -0.004 0.000 0.301 283 V C -0.204 175.944 176.094 0.090 0.000 1.034 283 V CA -0.742 61.580 62.300 0.035 0.000 0.865 283 V CB 1.871 33.723 31.823 0.049 0.000 0.995 283 V HN 0.672 nan 8.190 nan 0.000 0.424 284 I N 5.405 126.019 120.570 0.073 0.000 2.339 284 I HA 0.577 4.745 4.170 -0.004 0.000 0.290 284 I C -0.403 175.831 176.117 0.195 0.000 0.994 284 I CA -0.765 60.589 61.300 0.091 0.000 1.191 284 I CB 1.858 39.855 38.000 -0.005 0.000 1.343 284 I HN 0.556 nan 8.210 nan 0.000 0.458 285 V N 2.793 122.831 119.914 0.207 0.000 2.531 285 V HA 0.708 4.826 4.120 -0.004 0.000 0.301 285 V C -0.694 175.532 176.094 0.220 0.000 1.034 285 V CA -0.655 61.809 62.300 0.273 0.000 0.865 285 V CB 1.685 33.653 31.823 0.243 0.000 0.995 285 V HN 0.807 nan 8.190 nan 0.000 0.424 286 E N 5.537 125.884 120.200 0.245 0.000 2.155 286 E HA 0.731 5.078 4.350 -0.004 0.000 0.264 286 E C -0.764 175.960 176.600 0.206 0.000 0.886 286 E CA -0.511 56.000 56.400 0.185 0.000 0.752 286 E CB 1.737 31.540 29.700 0.172 0.000 1.133 286 E HN 0.827 nan 8.360 nan 0.000 0.414 287 M N 2.209 121.932 119.600 0.205 0.000 2.768 287 M HA 0.615 5.092 4.480 -0.004 0.000 0.274 287 M C 0.928 177.344 176.300 0.193 0.000 1.076 287 M CA -0.887 54.553 55.300 0.234 0.000 0.928 287 M CB 1.085 33.837 32.600 0.253 0.000 1.596 287 M HN 0.659 nan 8.290 nan 0.000 0.546 288 G N -0.668 108.248 108.800 0.193 0.000 2.570 288 G HA2 0.557 4.515 3.960 -0.004 0.000 0.276 288 G HA3 0.557 4.515 3.960 -0.004 0.000 0.276 288 G C -0.585 174.252 174.900 -0.105 0.000 1.346 288 G CA -0.262 44.862 45.100 0.040 0.000 1.034 288 G HN 0.804 nan 8.290 nan 0.000 0.512 289 G N -1.488 107.090 108.800 -0.370 0.000 2.733 289 G HA2 0.486 4.443 3.960 -0.004 0.000 0.297 289 G HA3 0.486 4.443 3.960 -0.004 0.000 0.297 289 G C -1.423 173.162 174.900 -0.524 0.000 1.422 289 G CA -0.672 44.191 45.100 -0.396 0.000 0.942 289 G HN 0.502 nan 8.290 nan 0.000 0.510 290 K N 1.703 121.883 120.400 -0.367 0.000 2.484 290 K HA 0.347 4.664 4.320 -0.004 0.000 0.226 290 K C -0.658 175.919 176.600 -0.038 0.000 1.031 290 K CA -0.553 55.637 56.287 -0.162 0.000 1.026 290 K CB 0.218 32.704 32.500 -0.023 0.000 1.412 290 K HN 0.449 nan 8.250 nan 0.000 0.492 291 D N 1.601 121.967 120.400 -0.056 0.000 2.294 291 D HA 0.325 4.962 4.640 -0.004 0.000 0.250 291 D C -0.461 175.830 176.300 -0.016 0.000 1.058 291 D CA -0.207 53.783 54.000 -0.016 0.000 0.950 291 D CB 1.760 42.540 40.800 -0.034 0.000 1.158 291 D HN 0.346 nan 8.370 nan 0.000 0.453 292 T N 0.057 114.638 114.554 0.044 0.000 2.921 292 T HA 0.290 4.638 4.350 -0.004 0.000 0.297 292 T C -0.649 174.089 174.700 0.064 0.000 1.013 292 T CA -0.658 61.468 62.100 0.043 0.000 0.990 292 T CB 1.996 70.916 68.868 0.086 0.000 1.023 292 T HN 0.158 nan 8.240 nan 0.000 0.447 293 V N 4.492 124.388 119.914 -0.030 0.000 2.370 293 V HA 0.620 4.738 4.120 -0.004 0.000 0.279 293 V C -0.559 175.536 176.094 0.003 0.000 1.029 293 V CA -0.327 61.962 62.300 -0.019 0.000 0.870 293 V CB 0.814 32.587 31.823 -0.083 0.000 0.984 293 V HN 0.734 nan 8.190 nan 0.000 0.451 294 V N 7.454 127.424 119.914 0.095 0.000 2.407 294 V HA 0.421 4.539 4.120 -0.004 0.000 0.278 294 V C -0.033 176.147 176.094 0.144 0.000 1.037 294 V CA -0.356 62.000 62.300 0.093 0.000 0.900 294 V CB 1.666 33.553 31.823 0.106 0.000 0.983 294 V HN 0.701 nan 8.190 nan 0.000 0.459 295 V N 4.333 124.330 119.914 0.138 0.000 2.357 295 V HA 0.351 4.469 4.120 -0.004 0.000 0.284 295 V C -0.039 176.206 176.094 0.253 0.000 1.018 295 V CA -0.589 61.818 62.300 0.178 0.000 0.841 295 V CB 1.652 33.557 31.823 0.137 0.000 0.991 295 V HN 0.858 nan 8.190 nan 0.000 0.437 296 D N 2.697 123.265 120.400 0.279 0.000 2.377 296 D HA 0.181 4.818 4.640 -0.004 0.000 0.245 296 D C 1.299 177.693 176.300 0.158 0.000 1.196 296 D CA -0.334 53.848 54.000 0.304 0.000 0.962 296 D CB 0.989 41.944 40.800 0.259 0.000 1.127 296 D HN 0.444 nan 8.370 nan 0.000 0.471 297 R N 0.658 121.154 120.500 -0.007 0.000 2.127 297 R HA -0.156 4.182 4.340 -0.004 0.000 0.238 297 R C 0.673 176.934 176.300 -0.064 0.000 1.134 297 R CA 1.224 57.192 56.100 -0.219 0.000 0.975 297 R CB 0.055 29.992 30.300 -0.604 0.000 0.865 297 R HN 0.388 nan 8.270 nan 0.000 0.447 298 D N 0.191 120.584 120.400 -0.012 0.000 2.349 298 D HA 0.095 4.733 4.640 -0.004 0.000 0.224 298 D C -0.367 175.945 176.300 0.020 0.000 1.029 298 D CA 0.248 54.245 54.000 -0.004 0.000 0.879 298 D CB 0.207 40.999 40.800 -0.012 0.000 0.906 298 D HN 0.315 nan 8.370 nan 0.000 0.528 299 A N 0.408 123.256 122.820 0.046 0.000 2.351 299 A HA 0.128 4.445 4.320 -0.004 0.000 0.257 299 A C 0.265 177.876 177.584 0.045 0.000 1.087 299 A CA -0.413 51.660 52.037 0.060 0.000 0.798 299 A CB 0.398 19.453 19.000 0.090 0.000 1.033 299 A HN 0.040 nan 8.150 nan 0.000 0.488 300 D N 1.903 122.329 120.400 0.043 0.000 2.349 300 D HA 0.116 4.754 4.640 -0.004 0.000 0.266 300 D C 0.899 177.223 176.300 0.040 0.000 1.293 300 D CA 0.151 54.171 54.000 0.034 0.000 0.926 300 D CB 0.208 41.026 40.800 0.031 0.000 1.090 300 D HN 0.438 nan 8.370 nan 0.000 0.502 301 L N 2.784 124.029 121.223 0.037 0.000 2.313 301 L HA -0.045 4.293 4.340 -0.004 0.000 0.214 301 L C 1.760 178.651 176.870 0.035 0.000 1.119 301 L CA 0.288 55.154 54.840 0.043 0.000 0.809 301 L CB -0.100 41.985 42.059 0.042 0.000 0.933 301 L HN 0.313 nan 8.230 nan 0.000 0.449 302 D N 0.648 121.062 120.400 0.024 0.000 2.097 302 D HA -0.172 4.466 4.640 -0.004 0.000 0.197 302 D C 2.144 178.454 176.300 0.017 0.000 0.984 302 D CA 1.162 55.172 54.000 0.016 0.000 0.826 302 D CB 0.031 40.836 40.800 0.009 0.000 0.973 302 D HN 0.155 nan 8.370 nan 0.000 0.460 303 L N 1.214 122.448 121.223 0.020 0.000 2.042 303 L HA -0.126 4.212 4.340 -0.004 0.000 0.210 303 L C 2.196 179.080 176.870 0.023 0.000 1.076 303 L CA 1.881 56.733 54.840 0.019 0.000 0.749 303 L CB -0.746 41.328 42.059 0.026 0.000 0.893 303 L HN -0.049 nan 8.230 nan 0.000 0.432 304 A N -0.605 122.237 122.820 0.036 0.000 1.902 304 A HA -0.111 4.207 4.320 -0.004 0.000 0.217 304 A C 2.455 180.064 177.584 0.041 0.000 1.181 304 A CA 1.859 53.922 52.037 0.043 0.000 0.623 304 A CB -1.168 17.871 19.000 0.064 0.000 0.818 304 A HN 0.585 nan 8.150 nan 0.000 0.443 305 A N -0.644 122.205 122.820 0.047 0.000 1.877 305 A HA -0.174 4.144 4.320 -0.004 0.000 0.216 305 A C 2.049 179.656 177.584 0.038 0.000 1.186 305 A CA 1.725 53.796 52.037 0.057 0.000 0.620 305 A CB -0.489 18.536 19.000 0.042 0.000 0.822 305 A HN 0.464 nan 8.150 nan 0.000 0.443 306 E N 0.181 120.391 120.200 0.016 0.000 2.051 306 E HA -0.120 4.228 4.350 -0.004 0.000 0.192 306 E C 2.439 179.034 176.600 -0.008 0.000 0.991 306 E CA 1.425 57.825 56.400 0.000 0.000 0.799 306 E CB -0.319 29.375 29.700 -0.011 0.000 0.748 306 E HN 0.572 nan 8.360 nan 0.000 0.449 307 S N 0.846 116.536 115.700 -0.016 0.000 2.370 307 S HA -0.131 4.337 4.470 -0.004 0.000 0.226 307 S C 2.146 176.708 174.600 -0.063 0.000 1.033 307 S CA 0.940 59.114 58.200 -0.043 0.000 1.011 307 S CB -0.218 62.960 63.200 -0.037 0.000 0.852 307 S HN 0.227 nan 8.310 nan 0.000 0.457 308 I N 0.919 121.458 120.570 -0.053 0.000 2.202 308 I HA -0.172 3.996 4.170 -0.004 0.000 0.242 308 I C 2.344 178.389 176.117 -0.120 0.000 1.091 308 I CA 0.809 62.047 61.300 -0.103 0.000 1.368 308 I CB -0.372 37.576 38.000 -0.087 0.000 1.058 308 I HN 0.218 nan 8.210 nan 0.000 0.410 309 L N 0.497 121.712 121.223 -0.013 0.000 2.013 309 L HA -0.217 4.121 4.340 -0.004 0.000 0.212 309 L C 2.411 179.333 176.870 0.086 0.000 1.073 309 L CA 1.876 56.769 54.840 0.088 0.000 0.753 309 L CB -0.354 41.790 42.059 0.141 0.000 0.890 309 L HN -0.025 nan 8.230 nan 0.000 0.432 310 V N -1.105 118.838 119.914 0.050 0.000 2.323 310 V HA -0.226 3.892 4.120 -0.004 0.000 0.244 310 V C 2.532 178.622 176.094 -0.008 0.000 1.041 310 V CA 1.778 64.127 62.300 0.082 0.000 1.025 310 V CB -0.470 31.371 31.823 0.029 0.000 0.656 310 V HN 0.511 nan 8.190 nan 0.000 0.451 311 S N 0.484 116.127 115.700 -0.095 0.000 2.370 311 S HA -0.207 4.260 4.470 -0.004 0.000 0.226 311 S C 2.147 176.631 174.600 -0.193 0.000 1.033 311 S CA 1.611 59.724 58.200 -0.144 0.000 1.011 311 S CB -0.457 62.646 63.200 -0.161 0.000 0.852 311 S HN 0.660 nan 8.310 nan 0.000 0.457 312 A N 0.225 122.851 122.820 -0.324 0.000 1.898 312 A HA 0.197 4.515 4.320 -0.004 0.000 0.214 312 A C 1.449 178.747 177.584 -0.477 0.000 1.183 312 A CA 0.963 52.656 52.037 -0.574 0.000 0.622 312 A CB -0.331 18.023 19.000 -1.076 0.000 0.824 312 A HN 0.493 nan 8.150 nan 0.000 0.444 313 F N -0.272 119.704 119.950 0.044 0.000 2.728 313 F HA 0.306 4.830 4.527 -0.004 0.000 0.314 313 F C 1.542 177.365 175.800 0.039 0.000 1.094 313 F CA -0.769 57.276 58.000 0.074 0.000 1.217 313 F CB -0.484 38.624 39.000 0.180 0.000 1.056 313 F HN 0.139 nan 8.300 nan 0.000 0.577 314 G N 0.431 109.324 108.800 0.156 0.000 2.254 314 G HA2 0.098 4.056 3.960 -0.004 0.000 0.253 314 G HA3 0.098 4.056 3.960 -0.004 0.000 0.253 314 G C 0.260 175.200 174.900 0.066 0.000 1.246 314 G CA 0.011 45.139 45.100 0.046 0.000 0.946 314 G HN 0.340 nan 8.290 nan 0.000 0.474 315 F N 2.105 121.949 119.950 -0.176 0.000 3.091 315 F HA -0.319 4.206 4.527 -0.004 0.000 0.288 315 F C 1.224 176.976 175.800 -0.079 0.000 0.907 315 F CA 0.796 58.706 58.000 -0.150 0.000 1.028 315 F CB -1.888 36.990 39.000 -0.203 0.000 1.022 315 F HN 1.038 nan 8.300 nan 0.000 0.665 316 S N -1.160 114.499 115.700 -0.068 0.000 3.614 316 S HA -0.020 4.447 4.470 -0.004 0.000 0.360 316 S C 1.608 176.153 174.600 -0.092 0.000 1.023 316 S CA 1.223 59.395 58.200 -0.047 0.000 1.114 316 S CB -1.870 61.267 63.200 -0.106 0.000 0.907 316 S HN 2.444 nan 8.310 nan 0.000 0.470 317 G N 0.254 109.006 108.800 -0.081 0.000 2.180 317 G HA2 -0.356 3.602 3.960 -0.004 0.000 0.263 317 G HA3 -0.356 3.602 3.960 -0.004 0.000 0.263 317 G C -0.033 174.628 174.900 -0.398 0.000 0.989 317 G CA 0.666 45.660 45.100 -0.177 0.000 0.692 317 G HN 0.725 nan 8.290 nan 0.000 0.526 318 Q N 0.118 119.607 119.800 -0.519 0.000 3.247 318 Q HA 0.348 4.686 4.340 -0.004 0.000 0.326 318 Q C 0.195 175.647 176.000 -0.913 0.000 1.402 318 Q CA 0.390 55.683 55.803 -0.849 0.000 0.994 318 Q CB 0.155 28.489 28.738 -0.672 0.000 1.647 318 Q HN 0.457 nan 8.270 nan 0.000 0.523 319 K N -0.396 119.387 120.400 -1.029 0.000 2.525 319 K HA 0.240 4.558 4.320 -0.004 0.000 0.254 319 K C -0.118 176.334 176.600 -0.246 0.000 0.934 319 K CA -0.661 55.380 56.287 -0.409 0.000 0.802 319 K CB 1.570 34.017 32.500 -0.089 0.000 1.295 319 K HN 0.197 nan 8.250 nan 0.000 0.433 320 C N 0.728 120.138 119.300 0.183 0.000 2.419 320 C HA -0.108 4.349 4.460 -0.004 0.000 0.283 320 C C 2.207 177.305 174.990 0.179 0.000 1.373 320 C CA 1.462 60.658 59.018 0.297 0.000 1.781 320 C CB -0.949 26.993 27.740 0.336 0.000 1.886 320 C HN 0.889 nan 8.230 nan 0.000 0.520 321 S N 0.381 116.179 115.700 0.163 0.000 2.575 321 S HA 0.402 4.869 4.470 -0.004 0.000 0.215 321 S C 0.643 175.246 174.600 0.006 0.000 0.966 321 S CA 0.339 58.624 58.200 0.142 0.000 0.911 321 S CB -0.224 63.082 63.200 0.176 0.000 0.780 321 S HN 0.511 nan 8.310 nan 0.000 0.514 322 A N 1.547 124.333 122.820 -0.055 0.000 2.524 322 A HA 0.547 4.865 4.320 -0.004 0.000 0.250 322 A C 0.937 178.446 177.584 -0.124 0.000 1.078 322 A CA 0.028 51.995 52.037 -0.118 0.000 0.761 322 A CB -0.383 18.508 19.000 -0.182 0.000 1.012 322 A HN 0.575 nan 8.150 nan 0.000 0.500 323 G N 2.160 110.872 108.800 -0.146 0.000 2.852 323 G HA2 0.306 4.264 3.960 -0.004 0.000 0.280 323 G HA3 0.306 4.264 3.960 -0.004 0.000 0.280 323 G C 0.938 175.716 174.900 -0.202 0.000 0.731 323 G CA 0.389 45.393 45.100 -0.159 0.000 2.037 323 G HN 1.181 nan 8.290 nan 0.000 0.560 324 S N 1.241 116.841 115.700 -0.167 0.000 2.593 324 S HA 0.196 4.664 4.470 -0.004 0.000 0.217 324 S C 0.922 175.432 174.600 -0.150 0.000 0.966 324 S CA -0.325 57.776 58.200 -0.165 0.000 0.914 324 S CB 0.397 63.518 63.200 -0.132 0.000 0.776 324 S HN 0.498 nan 8.310 nan 0.000 0.523 325 R N 0.628 121.033 120.500 -0.158 0.000 2.628 325 R HA 0.738 5.076 4.340 -0.004 0.000 0.288 325 R C -1.473 174.679 176.300 -0.246 0.000 0.980 325 R CA -0.465 55.536 56.100 -0.165 0.000 0.891 325 R CB 2.110 32.349 30.300 -0.102 0.000 1.188 325 R HN 0.198 nan 8.270 nan 0.000 0.450 326 A N 2.525 125.115 122.820 -0.383 0.000 2.340 326 A HA 0.523 4.841 4.320 -0.004 0.000 0.297 326 A C -0.787 176.598 177.584 -0.332 0.000 1.195 326 A CA -0.648 51.078 52.037 -0.518 0.000 0.769 326 A CB 1.307 19.597 19.000 -1.182 0.000 1.163 326 A HN 0.398 nan 8.150 nan 0.000 0.472 327 V N 5.132 124.950 119.914 -0.161 0.000 2.350 327 V HA 0.402 4.520 4.120 -0.004 0.000 0.285 327 V C -0.567 175.536 176.094 0.017 0.000 1.014 327 V CA -0.378 61.883 62.300 -0.065 0.000 0.831 327 V CB 0.939 32.687 31.823 -0.125 0.000 1.000 327 V HN 0.717 nan 8.190 nan 0.000 0.433 328 I N 3.325 123.981 120.570 0.144 0.000 2.530 328 I HA 0.434 4.602 4.170 -0.004 0.000 0.297 328 I C 0.290 176.558 176.117 0.252 0.000 1.011 328 I CA -0.717 60.726 61.300 0.238 0.000 1.107 328 I CB 1.469 39.683 38.000 0.356 0.000 1.285 328 I HN 0.576 nan 8.210 nan 0.000 0.436 329 H N 5.975 125.147 119.070 0.169 0.000 2.897 329 H HA 0.006 4.560 4.556 -0.004 0.000 0.347 329 H C 0.961 176.392 175.328 0.173 0.000 1.068 329 H CA 0.724 56.864 56.048 0.154 0.000 1.426 329 H CB 1.358 31.215 29.762 0.159 0.000 1.410 329 H HN 0.668 nan 8.280 nan 0.000 0.597 330 K N 2.927 123.401 120.400 0.125 0.000 2.097 330 K HA -0.144 4.173 4.320 -0.004 0.000 0.206 330 K C 0.784 177.563 176.600 0.299 0.000 1.049 330 K CA 1.726 58.106 56.287 0.155 0.000 0.933 330 K CB 0.159 32.662 32.500 0.004 0.000 0.717 330 K HN 0.385 nan 8.250 nan 0.000 0.442 331 D N 0.510 121.210 120.400 0.499 0.000 2.350 331 D HA -0.037 4.600 4.640 -0.004 0.000 0.216 331 D C 1.042 177.462 176.300 0.200 0.000 0.968 331 D CA 0.618 54.784 54.000 0.277 0.000 0.894 331 D CB 0.570 41.462 40.800 0.153 0.000 0.909 331 D HN 0.094 nan 8.370 nan 0.000 0.520 332 V N -0.077 119.990 119.914 0.255 0.000 3.337 332 V HA 0.004 4.122 4.120 -0.004 0.000 0.307 332 V C 0.937 177.160 176.094 0.215 0.000 1.505 332 V CA -0.404 62.008 62.300 0.187 0.000 1.072 332 V CB 0.118 32.028 31.823 0.144 0.000 0.929 332 V HN 0.081 nan 8.190 nan 0.000 0.455 333 Y N 1.447 121.831 120.300 0.140 0.000 2.145 333 Y HA -0.220 4.328 4.550 -0.004 0.000 0.286 333 Y C 2.158 178.109 175.900 0.084 0.000 1.145 333 Y CA 2.392 60.575 58.100 0.138 0.000 1.148 333 Y CB 0.190 38.727 38.460 0.128 0.000 0.981 333 Y HN 0.392 nan 8.280 nan 0.000 0.507 334 D N 0.019 120.516 120.400 0.161 0.000 2.097 334 D HA -0.217 4.421 4.640 -0.004 0.000 0.195 334 D C 1.920 178.186 176.300 -0.057 0.000 0.989 334 D CA 1.684 55.697 54.000 0.022 0.000 0.827 334 D CB -0.342 40.511 40.800 0.088 0.000 0.966 334 D HN 0.579 nan 8.370 nan 0.000 0.456 335 E N 0.605 120.806 120.200 0.002 0.000 2.072 335 E HA -0.118 4.230 4.350 -0.004 0.000 0.191 335 E C 2.243 178.831 176.600 -0.020 0.000 0.985 335 E CA 0.485 56.883 56.400 -0.004 0.000 0.801 335 E CB 0.282 29.997 29.700 0.026 0.000 0.750 335 E HN -0.024 nan 8.360 nan 0.000 0.452 336 V N 1.206 121.119 119.914 -0.002 0.000 2.427 336 V HA -0.223 3.894 4.120 -0.004 0.000 0.248 336 V C 2.337 178.405 176.094 -0.044 0.000 1.051 336 V CA 1.261 63.579 62.300 0.031 0.000 1.048 336 V CB -0.386 31.509 31.823 0.121 0.000 0.666 336 V HN 0.318 nan 8.190 nan 0.000 0.456 337 L N 1.356 122.424 121.223 -0.257 0.000 1.989 337 L HA -0.222 4.116 4.340 -0.004 0.000 0.211 337 L C 2.675 179.330 176.870 -0.358 0.000 1.071 337 L CA 2.610 57.079 54.840 -0.618 0.000 0.749 337 L CB -0.879 40.650 42.059 -0.884 0.000 0.890 337 L HN 0.647 nan 8.230 nan 0.000 0.431 338 E N -0.869 119.200 120.200 -0.218 0.000 2.153 338 E HA -0.278 4.069 4.350 -0.004 0.000 0.194 338 E C 2.075 178.624 176.600 -0.085 0.000 0.988 338 E CA 1.423 57.743 56.400 -0.134 0.000 0.811 338 E CB -0.431 29.215 29.700 -0.089 0.000 0.746 338 E HN 0.513 nan 8.360 nan 0.000 0.466 339 K N 0.348 120.712 120.400 -0.060 0.000 2.097 339 K HA -0.039 4.279 4.320 -0.004 0.000 0.205 339 K C 2.203 178.799 176.600 -0.006 0.000 1.050 339 K CA 1.792 58.065 56.287 -0.024 0.000 0.938 339 K CB -0.013 32.485 32.500 -0.003 0.000 0.718 339 K HN 0.122 nan 8.250 nan 0.000 0.442 340 T N 0.612 115.171 114.554 0.008 0.000 2.857 340 T HA -0.072 4.276 4.350 -0.004 0.000 0.266 340 T C 1.923 176.653 174.700 0.050 0.000 1.048 340 T CA 0.868 63.014 62.100 0.076 0.000 1.139 340 T CB -0.049 68.951 68.868 0.219 0.000 0.874 340 T HN -0.068 nan 8.240 nan 0.000 0.455 341 V N 1.733 121.626 119.914 -0.035 0.000 2.427 341 V HA -0.119 3.999 4.120 -0.004 0.000 0.248 341 V C 2.830 178.905 176.094 -0.032 0.000 1.051 341 V CA 1.618 63.894 62.300 -0.040 0.000 1.048 341 V CB -1.022 30.743 31.823 -0.096 0.000 0.666 341 V HN 0.522 nan 8.190 nan 0.000 0.456 342 A N -0.709 122.089 122.820 -0.035 0.000 2.066 342 A HA -0.009 4.309 4.320 -0.004 0.000 0.218 342 A C 2.139 179.701 177.584 -0.037 0.000 1.157 342 A CA 1.217 53.232 52.037 -0.037 0.000 0.670 342 A CB -0.302 18.677 19.000 -0.036 0.000 0.804 342 A HN 0.525 nan 8.150 nan 0.000 0.453 343 L N -1.350 119.860 121.223 -0.022 0.000 2.202 343 L HA 0.019 4.356 4.340 -0.004 0.000 0.205 343 L C 2.966 179.805 176.870 -0.051 0.000 1.083 343 L CA 0.782 55.601 54.840 -0.035 0.000 0.790 343 L CB -0.413 41.638 42.059 -0.015 0.000 0.942 343 L HN 0.354 nan 8.230 nan 0.000 0.452 344 A N 1.420 124.230 122.820 -0.016 0.000 1.972 344 A HA -0.218 4.099 4.320 -0.004 0.000 0.219 344 A C 2.268 179.772 177.584 -0.133 0.000 1.169 344 A CA 1.866 53.852 52.037 -0.084 0.000 0.635 344 A CB -0.421 18.569 19.000 -0.018 0.000 0.810 344 A HN 0.527 nan 8.150 nan 0.000 0.446 345 K N -0.953 119.395 120.400 -0.087 0.000 2.288 345 K HA -0.032 4.286 4.320 -0.004 0.000 0.201 345 K C 0.884 177.432 176.600 -0.086 0.000 1.048 345 K CA 1.427 57.665 56.287 -0.083 0.000 0.956 345 K CB -0.214 32.249 32.500 -0.061 0.000 0.746 345 K HN 0.248 nan 8.250 nan 0.000 0.461 346 N N 0.861 119.506 118.700 -0.093 0.000 2.422 346 N HA 0.099 4.837 4.740 -0.004 0.000 0.181 346 N C -0.078 175.364 175.510 -0.114 0.000 1.080 346 N CA 0.228 53.221 53.050 -0.096 0.000 0.893 346 N CB 0.083 38.514 38.487 -0.094 0.000 0.973 346 N HN 0.166 nan 8.380 nan 0.000 0.456 347 L N 1.952 123.094 121.223 -0.134 0.000 2.477 347 L HA 0.071 4.409 4.340 -0.004 0.000 0.272 347 L C 0.562 177.400 176.870 -0.053 0.000 1.157 347 L CA -0.101 54.667 54.840 -0.120 0.000 0.889 347 L CB -0.098 41.886 42.059 -0.126 0.000 1.158 347 L HN 0.089 nan 8.230 nan 0.000 0.473 348 T N 0.942 115.489 114.554 -0.012 0.000 2.794 348 T HA 0.479 4.827 4.350 -0.004 0.000 0.296 348 T C -0.148 174.560 174.700 0.014 0.000 0.949 348 T CA -0.765 61.323 62.100 -0.019 0.000 1.101 348 T CB 1.293 70.139 68.868 -0.037 0.000 0.905 348 T HN 0.222 nan 8.240 nan 0.000 0.516 349 V N 3.268 123.162 119.914 -0.034 0.000 2.495 349 V HA 0.908 5.026 4.120 -0.004 0.000 0.298 349 V C 0.755 176.762 176.094 -0.143 0.000 1.031 349 V CA 0.027 62.313 62.300 -0.024 0.000 0.871 349 V CB 1.090 32.910 31.823 -0.005 0.000 0.988 349 V HN 1.445 nan 8.190 nan 0.000 0.432 350 G N 2.756 111.487 108.800 -0.114 0.000 2.323 350 G HA2 0.196 4.154 3.960 -0.004 0.000 0.291 350 G HA3 0.196 4.154 3.960 -0.004 0.000 0.291 350 G C -1.399 173.538 174.900 0.063 0.000 1.278 350 G CA -0.779 44.139 45.100 -0.304 0.000 0.860 350 G HN 0.535 nan 8.290 nan 0.000 0.504 351 D N 1.308 121.744 120.400 0.059 0.000 2.581 351 D HA 0.093 4.731 4.640 -0.004 0.000 0.238 351 D C -0.814 175.559 176.300 0.123 0.000 1.145 351 D CA -0.610 53.501 54.000 0.185 0.000 0.866 351 D CB 1.579 42.446 40.800 0.113 0.000 1.151 351 D HN 0.065 nan 8.370 nan 0.000 0.500 352 P HA -0.087 nan 4.420 nan 0.000 0.236 352 P C 1.179 178.605 177.300 0.210 0.000 1.177 352 P CA 0.661 63.847 63.100 0.143 0.000 0.773 352 P CB -0.040 31.762 31.700 0.170 0.000 0.878 353 T N -3.699 110.952 114.554 0.161 0.000 2.881 353 T HA -0.112 4.236 4.350 -0.004 0.000 0.270 353 T C 1.117 176.014 174.700 0.329 0.000 1.068 353 T CA 0.536 62.790 62.100 0.256 0.000 1.131 353 T CB -1.044 67.889 68.868 0.108 0.000 0.871 353 T HN -0.025 nan 8.240 nan 0.000 0.479 354 N N 1.751 120.500 118.700 0.082 0.000 2.411 354 N HA 0.141 4.879 4.740 -0.004 0.000 0.259 354 N C 1.058 176.325 175.510 -0.405 0.000 1.103 354 N CA -0.410 52.581 53.050 -0.098 0.000 0.954 354 N CB 0.913 39.349 38.487 -0.085 0.000 1.085 354 N HN 0.398 nan 8.380 nan 0.000 0.485 355 R N 3.003 123.000 120.500 -0.839 0.000 2.127 355 R HA -0.114 4.224 4.340 -0.004 0.000 0.238 355 R C 0.062 175.929 176.300 -0.723 0.000 1.134 355 R CA 1.428 56.651 56.100 -1.462 0.000 0.975 355 R CB 0.141 29.334 30.300 -1.845 0.000 0.865 355 R HN 0.544 nan 8.270 nan 0.000 0.447 356 D N 0.504 120.642 120.400 -0.436 0.000 2.371 356 D HA -0.053 4.585 4.640 -0.004 0.000 0.221 356 D C -0.305 175.889 176.300 -0.177 0.000 0.986 356 D CA 0.593 54.437 54.000 -0.259 0.000 0.899 356 D CB -0.101 40.586 40.800 -0.188 0.000 0.902 356 D HN 0.183 nan 8.370 nan 0.000 0.530 357 N N 0.831 119.419 118.700 -0.186 0.000 2.420 357 N HA -0.021 4.717 4.740 -0.004 0.000 0.249 357 N C 0.559 176.042 175.510 -0.044 0.000 1.033 357 N CA -0.232 52.767 53.050 -0.086 0.000 0.944 357 N CB 0.908 39.356 38.487 -0.065 0.000 1.113 357 N HN 0.158 nan 8.380 nan 0.000 0.502 358 Y N 2.948 123.193 120.300 -0.091 0.000 2.314 358 Y HA 0.160 4.708 4.550 -0.004 0.000 0.293 358 Y C 0.190 176.097 175.900 0.011 0.000 1.129 358 Y CA 1.066 59.134 58.100 -0.054 0.000 1.201 358 Y CB 0.437 38.868 38.460 -0.049 0.000 0.999 358 Y HN 0.387 nan 8.280 nan 0.000 0.541 359 M N 0.068 119.645 119.600 -0.039 0.000 2.465 359 M HA 0.438 4.916 4.480 -0.004 0.000 0.316 359 M C 0.190 176.537 176.300 0.079 0.000 1.121 359 M CA -0.456 54.812 55.300 -0.054 0.000 0.934 359 M CB 2.078 34.708 32.600 0.050 0.000 1.692 359 M HN 0.211 nan 8.290 nan 0.000 0.444 360 G N 1.696 110.571 108.800 0.124 0.000 2.828 360 G HA2 0.796 4.754 3.960 -0.004 0.000 0.244 360 G HA3 0.796 4.754 3.960 -0.004 0.000 0.244 360 G C -2.989 172.041 174.900 0.216 0.000 1.365 360 G CA -1.049 44.193 45.100 0.237 0.000 1.041 360 G HN 0.375 nan 8.290 nan 0.000 0.560 361 P HA 0.334 nan 4.420 nan 0.000 0.279 361 P C 0.346 177.602 177.300 -0.074 0.000 1.276 361 P CA -0.290 62.687 63.100 -0.205 0.000 0.801 361 P CB 1.309 32.590 31.700 -0.700 0.000 1.127 362 V N -1.423 118.478 119.914 -0.021 0.000 3.336 362 V HA 0.164 4.282 4.120 -0.004 0.000 0.304 362 V C 1.651 177.711 176.094 -0.056 0.000 1.073 362 V CA -0.177 62.097 62.300 -0.042 0.000 1.074 362 V CB -0.122 31.712 31.823 0.019 0.000 1.161 362 V HN 0.447 nan 8.190 nan 0.000 0.460 363 I N 1.227 121.676 120.570 -0.201 0.000 2.286 363 I HA 0.098 4.266 4.170 -0.004 0.000 0.245 363 I C 0.698 176.624 176.117 -0.318 0.000 1.104 363 I CA 1.878 63.004 61.300 -0.289 0.000 1.397 363 I CB -0.292 37.251 38.000 -0.762 0.000 1.072 363 I HN 1.155 nan 8.210 nan 0.000 0.417 364 D N -2.595 117.470 120.400 -0.560 0.000 2.759 364 D HA 0.097 4.735 4.640 -0.004 0.000 0.321 364 D C 0.669 176.148 176.300 -1.368 0.000 1.267 364 D CA -0.463 53.000 54.000 -0.895 0.000 0.933 364 D CB 0.231 40.752 40.800 -0.465 0.000 1.431 364 D HN -0.014 nan 8.370 nan 0.000 0.504 365 E N -0.176 119.263 120.200 -1.269 0.000 2.077 365 E HA -0.197 4.150 4.350 -0.004 0.000 0.193 365 E C 1.681 178.129 176.600 -0.253 0.000 0.989 365 E CA 1.264 57.244 56.400 -0.700 0.000 0.800 365 E CB 0.121 29.674 29.700 -0.245 0.000 0.746 365 E HN 0.391 nan 8.360 nan 0.000 0.452 366 K N 0.009 120.273 120.400 -0.226 0.000 2.032 366 K HA -0.189 4.128 4.320 -0.004 0.000 0.209 366 K C 2.030 178.589 176.600 -0.070 0.000 1.048 366 K CA 1.341 57.564 56.287 -0.106 0.000 0.927 366 K CB -0.225 32.215 32.500 -0.100 0.000 0.712 366 K HN 0.188 nan 8.250 nan 0.000 0.441 367 A N 0.709 123.449 122.820 -0.134 0.000 1.898 367 A HA -0.157 4.160 4.320 -0.004 0.000 0.216 367 A C 2.020 179.612 177.584 0.014 0.000 1.181 367 A CA 1.245 53.249 52.037 -0.055 0.000 0.620 367 A CB -0.801 18.119 19.000 -0.133 0.000 0.819 367 A HN 0.482 nan 8.150 nan 0.000 0.442 368 F N 0.895 120.746 119.950 -0.164 0.000 2.095 368 F HA -0.221 4.304 4.527 -0.004 0.000 0.298 368 F C 2.264 178.064 175.800 -0.001 0.000 1.104 368 F CA 2.412 60.379 58.000 -0.055 0.000 1.232 368 F CB -0.227 38.753 39.000 -0.034 0.000 0.987 368 F HN 0.360 nan 8.300 nan 0.000 0.475 369 E N -0.155 120.142 120.200 0.162 0.000 2.077 369 E HA -0.212 4.136 4.350 -0.004 0.000 0.193 369 E C 2.221 178.817 176.600 -0.007 0.000 0.989 369 E CA 1.105 57.555 56.400 0.083 0.000 0.800 369 E CB -0.105 29.650 29.700 0.091 0.000 0.746 369 E HN 0.245 nan 8.360 nan 0.000 0.452 370 K N 0.554 120.964 120.400 0.018 0.000 2.057 370 K HA -0.110 4.208 4.320 -0.004 0.000 0.206 370 K C 2.155 178.825 176.600 0.116 0.000 1.050 370 K CA 0.899 57.215 56.287 0.048 0.000 0.935 370 K CB -0.257 32.313 32.500 0.117 0.000 0.715 370 K HN 0.174 nan 8.250 nan 0.000 0.439 371 I N 0.981 121.606 120.570 0.092 0.000 2.226 371 I HA -0.285 3.882 4.170 -0.004 0.000 0.245 371 I C 2.356 178.487 176.117 0.023 0.000 1.100 371 I CA 0.976 62.340 61.300 0.106 0.000 1.374 371 I CB -0.223 37.788 38.000 0.018 0.000 1.057 371 I HN 0.072 nan 8.210 nan 0.000 0.413 372 M N 0.045 119.564 119.600 -0.135 0.000 2.159 372 M HA -0.159 4.319 4.480 -0.004 0.000 0.263 372 M C 2.547 178.813 176.300 -0.057 0.000 1.063 372 M CA 1.608 56.819 55.300 -0.148 0.000 1.110 372 M CB -1.411 31.027 32.600 -0.269 0.000 1.374 372 M HN 0.159 nan 8.290 nan 0.000 0.411 373 S N -0.250 115.410 115.700 -0.065 0.000 2.368 373 S HA -0.151 4.317 4.470 -0.004 0.000 0.225 373 S C 1.873 176.412 174.600 -0.102 0.000 1.030 373 S CA 1.132 59.269 58.200 -0.104 0.000 0.999 373 S CB -0.544 62.547 63.200 -0.183 0.000 0.844 373 S HN 0.374 nan 8.310 nan 0.000 0.459 374 Y N 1.484 121.782 120.300 -0.004 0.000 2.274 374 Y HA 0.017 4.565 4.550 -0.004 0.000 0.290 374 Y C 2.053 177.960 175.900 0.012 0.000 1.145 374 Y CA 0.255 58.362 58.100 0.012 0.000 1.203 374 Y CB -0.523 37.950 38.460 0.023 0.000 0.984 374 Y HN 0.219 nan 8.280 nan 0.000 0.533 375 I N -0.532 120.123 120.570 0.142 0.000 2.252 375 I HA -0.232 3.936 4.170 -0.004 0.000 0.245 375 I C 2.164 178.317 176.117 0.060 0.000 1.102 375 I CA 1.118 62.469 61.300 0.085 0.000 1.385 375 I CB -0.224 37.800 38.000 0.040 0.000 1.064 375 I HN 0.115 nan 8.210 nan 0.000 0.414 376 E N 0.810 121.029 120.200 0.032 0.000 2.110 376 E HA -0.174 4.173 4.350 -0.004 0.000 0.193 376 E C 2.237 178.853 176.600 0.027 0.000 0.988 376 E CA 1.273 57.684 56.400 0.019 0.000 0.804 376 E CB -0.230 29.468 29.700 -0.003 0.000 0.745 376 E HN 0.529 nan 8.360 nan 0.000 0.458 377 I N 0.503 121.095 120.570 0.036 0.000 2.202 377 I HA -0.165 4.002 4.170 -0.004 0.000 0.242 377 I C 2.480 178.642 176.117 0.075 0.000 1.091 377 I CA 1.304 62.634 61.300 0.050 0.000 1.368 377 I CB -0.511 37.527 38.000 0.064 0.000 1.058 377 I HN 0.110 nan 8.210 nan 0.000 0.410 378 G N 0.772 109.632 108.800 0.099 0.000 2.440 378 G HA2 -0.257 3.701 3.960 -0.004 0.000 0.218 378 G HA3 -0.257 3.701 3.960 -0.004 0.000 0.218 378 G C 1.707 176.651 174.900 0.073 0.000 1.154 378 G CA 0.695 45.851 45.100 0.095 0.000 0.767 378 G HN 0.318 nan 8.290 nan 0.000 0.552 379 K N 0.282 120.718 120.400 0.060 0.000 2.211 379 K HA -0.050 4.267 4.320 -0.004 0.000 0.204 379 K C 2.121 178.746 176.600 0.042 0.000 1.047 379 K CA 1.062 57.377 56.287 0.047 0.000 0.935 379 K CB -0.050 32.472 32.500 0.037 0.000 0.728 379 K HN 0.253 nan 8.250 nan 0.000 0.452 380 K N 0.240 120.665 120.400 0.041 0.000 2.404 380 K HA 0.020 4.338 4.320 -0.004 0.000 0.194 380 K C 1.024 177.648 176.600 0.040 0.000 1.023 380 K CA 0.367 56.675 56.287 0.035 0.000 1.094 380 K CB 0.488 33.006 32.500 0.029 0.000 0.841 380 K HN 0.190 nan 8.250 nan 0.000 0.523 381 E N -0.118 120.112 120.200 0.050 0.000 2.399 381 E HA 0.096 4.444 4.350 -0.004 0.000 0.205 381 E C 0.772 177.405 176.600 0.056 0.000 0.906 381 E CA 0.025 56.457 56.400 0.053 0.000 0.998 381 E CB 1.095 30.834 29.700 0.064 0.000 1.002 381 E HN 0.264 nan 8.360 nan 0.000 0.501 382 G N 0.562 109.398 108.800 0.061 0.000 2.664 382 G HA2 0.354 4.312 3.960 -0.004 0.000 0.303 382 G HA3 0.354 4.312 3.960 -0.004 0.000 0.303 382 G C -1.476 173.461 174.900 0.062 0.000 1.243 382 G CA -0.916 44.224 45.100 0.066 0.000 0.826 382 G HN -0.090 nan 8.290 nan 0.000 0.498 383 R N 0.285 120.825 120.500 0.068 0.000 2.204 383 R HA 0.442 4.780 4.340 -0.004 0.000 0.341 383 R C -0.590 175.738 176.300 0.047 0.000 1.035 383 R CA -0.649 55.482 56.100 0.052 0.000 0.887 383 R CB 0.706 31.036 30.300 0.051 0.000 1.114 383 R HN 0.385 nan 8.270 nan 0.000 0.473 384 L N 5.847 127.093 121.223 0.039 0.000 2.530 384 L HA 0.039 4.377 4.340 -0.004 0.000 0.273 384 L C 0.589 177.469 176.870 0.017 0.000 1.141 384 L CA 0.662 55.523 54.840 0.036 0.000 0.905 384 L CB 0.732 42.811 42.059 0.034 0.000 1.202 384 L HN 0.795 nan 8.230 nan 0.000 0.473 385 M N 2.431 122.037 119.600 0.010 0.000 2.429 385 M HA 0.175 4.652 4.480 -0.004 0.000 0.265 385 M C 0.808 177.098 176.300 -0.016 0.000 1.120 385 M CA 0.597 55.884 55.300 -0.022 0.000 1.173 385 M CB -0.493 32.065 32.600 -0.071 0.000 1.343 385 M HN 0.721 nan 8.290 nan 0.000 0.464 386 T N -0.924 113.633 114.554 0.006 0.000 2.840 386 T HA 0.529 4.877 4.350 -0.004 0.000 0.317 386 T C -0.053 174.653 174.700 0.009 0.000 1.401 386 T CA 0.478 62.577 62.100 -0.002 0.000 1.028 386 T CB 1.478 70.335 68.868 -0.018 0.000 1.317 386 T HN 0.665 nan 8.240 nan 0.000 0.495 387 G N 1.873 110.668 108.800 -0.009 0.000 2.528 387 G HA2 0.262 4.220 3.960 -0.004 0.000 0.262 387 G HA3 0.262 4.220 3.960 -0.004 0.000 0.262 387 G C 1.104 176.011 174.900 0.013 0.000 1.200 387 G CA 1.212 46.308 45.100 -0.007 0.000 0.951 387 G HN 2.472 nan 8.290 nan 0.000 0.566 388 G N -0.845 107.968 108.800 0.022 0.000 2.176 388 G HA2 -0.096 3.862 3.960 -0.004 0.000 0.253 388 G HA3 -0.096 3.862 3.960 -0.004 0.000 0.253 388 G C 0.278 175.187 174.900 0.015 0.000 0.979 388 G CA 1.672 46.787 45.100 0.024 0.000 0.641 388 G HN 1.568 nan 8.290 nan 0.000 0.530 389 E N 0.315 120.527 120.200 0.021 0.000 2.216 389 E HA 0.592 4.940 4.350 -0.004 0.000 0.279 389 E C 0.363 177.000 176.600 0.061 0.000 0.997 389 E CA -0.123 56.299 56.400 0.037 0.000 0.817 389 E CB 1.009 30.730 29.700 0.035 0.000 1.096 389 E HN 0.510 nan 8.360 nan 0.000 0.393 390 G N 2.603 111.463 108.800 0.100 0.000 2.591 390 G HA2 0.330 4.288 3.960 -0.004 0.000 0.306 390 G HA3 0.330 4.288 3.960 -0.004 0.000 0.306 390 G C -1.531 173.613 174.900 0.406 0.000 1.334 390 G CA -0.480 44.754 45.100 0.223 0.000 0.981 390 G HN 0.495 nan 8.290 nan 0.000 0.491 391 D N 0.702 121.403 120.400 0.501 0.000 2.620 391 D HA 0.429 5.066 4.640 -0.004 0.000 0.252 391 D C 0.421 176.777 176.300 0.094 0.000 1.207 391 D CA -0.456 53.718 54.000 0.290 0.000 0.884 391 D CB 2.236 43.147 40.800 0.186 0.000 1.262 391 D HN 0.112 nan 8.370 nan 0.000 0.552 392 S N 0.926 116.519 115.700 -0.179 0.000 2.556 392 S HA -0.038 4.430 4.470 -0.004 0.000 0.216 392 S C 1.847 176.214 174.600 -0.387 0.000 0.970 392 S CA 0.567 58.428 58.200 -0.566 0.000 0.912 392 S CB 0.207 63.028 63.200 -0.631 0.000 0.790 392 S HN 0.587 nan 8.310 nan 0.000 0.504 393 S N 1.380 116.968 115.700 -0.187 0.000 2.368 393 S HA -0.120 4.347 4.470 -0.004 0.000 0.224 393 S C 1.936 176.434 174.600 -0.170 0.000 1.029 393 S CA 1.746 59.858 58.200 -0.145 0.000 0.988 393 S CB -0.802 62.356 63.200 -0.069 0.000 0.838 393 S HN 0.636 nan 8.310 nan 0.000 0.462 394 T N -2.488 111.984 114.554 -0.136 0.000 3.056 394 T HA 0.565 4.913 4.350 -0.004 0.000 0.243 394 T C 0.899 175.470 174.700 -0.214 0.000 0.995 394 T CA 0.353 62.386 62.100 -0.111 0.000 1.091 394 T CB -0.027 68.843 68.868 0.003 0.000 0.990 394 T HN 0.618 nan 8.240 nan 0.000 0.464 395 G N 0.087 108.754 108.800 -0.221 0.000 2.921 395 G HA2 0.570 4.528 3.960 -0.004 0.000 0.291 395 G HA3 0.570 4.528 3.960 -0.004 0.000 0.291 395 G C -1.548 172.785 174.900 -0.944 0.000 1.370 395 G CA -1.201 43.489 45.100 -0.683 0.000 0.847 395 G HN 0.222 nan 8.290 nan 0.000 0.532 396 F N 0.963 120.545 119.950 -0.613 0.000 2.441 396 F HA 0.442 4.967 4.527 -0.004 0.000 0.337 396 F C -0.594 175.097 175.800 -0.181 0.000 1.182 396 F CA -0.526 57.232 58.000 -0.403 0.000 1.279 396 F CB 0.189 39.056 39.000 -0.221 0.000 1.614 396 F HN -0.019 nan 8.300 nan 0.000 0.574 397 F N 2.378 122.494 119.950 0.277 0.000 2.410 397 F HA 0.556 5.081 4.527 -0.004 0.000 0.349 397 F C 0.219 176.204 175.800 0.309 0.000 1.117 397 F CA -0.956 57.187 58.000 0.238 0.000 1.104 397 F CB 0.893 39.954 39.000 0.102 0.000 1.122 397 F HN 0.063 nan 8.300 nan 0.000 0.483 398 I N 3.247 124.026 120.570 0.349 0.000 2.509 398 I HA 0.260 4.428 4.170 -0.004 0.000 0.293 398 I C -0.516 175.673 176.117 0.120 0.000 1.020 398 I CA -1.203 60.204 61.300 0.179 0.000 1.088 398 I CB 1.630 39.660 38.000 0.051 0.000 1.267 398 I HN 0.376 nan 8.210 nan 0.000 0.430 399 Q N 6.120 125.959 119.800 0.065 0.000 2.373 399 Q HA 0.245 4.583 4.340 -0.004 0.000 0.255 399 Q C -2.280 173.685 176.000 -0.059 0.000 0.980 399 Q CA -2.014 53.787 55.803 -0.004 0.000 0.882 399 Q CB 0.108 28.839 28.738 -0.012 0.000 1.249 399 Q HN 0.260 nan 8.270 nan 0.000 0.438 400 P HA -0.004 nan 4.420 nan 0.000 0.261 400 P C -0.767 176.402 177.300 -0.218 0.000 1.203 400 P CA 0.265 63.034 63.100 -0.550 0.000 0.767 400 P CB 0.212 31.226 31.700 -1.143 0.000 0.785 401 T N 5.352 119.992 114.554 0.144 0.000 2.779 401 T HA 0.545 4.893 4.350 -0.004 0.000 0.280 401 T C 0.332 175.213 174.700 0.301 0.000 0.987 401 T CA -0.332 61.877 62.100 0.182 0.000 0.966 401 T CB 0.689 69.639 68.868 0.137 0.000 0.933 401 T HN 0.214 nan 8.240 nan 0.000 0.442 402 I N 4.123 124.824 120.570 0.217 0.000 2.406 402 I HA 0.523 4.690 4.170 -0.004 0.000 0.290 402 I C -0.595 175.609 176.117 0.145 0.000 0.999 402 I CA -0.850 60.586 61.300 0.227 0.000 1.124 402 I CB 1.576 39.694 38.000 0.197 0.000 1.289 402 I HN 0.452 nan 8.210 nan 0.000 0.441 403 I N 5.246 125.921 120.570 0.176 0.000 2.465 403 I HA 0.708 4.876 4.170 -0.004 0.000 0.291 403 I C -0.043 176.186 176.117 0.187 0.000 1.014 403 I CA -0.424 60.958 61.300 0.138 0.000 1.093 403 I CB 2.043 40.115 38.000 0.121 0.000 1.267 403 I HN 0.620 nan 8.210 nan 0.000 0.431 404 A N 3.170 126.077 122.820 0.146 0.000 2.344 404 A HA 0.722 5.040 4.320 -0.004 0.000 0.307 404 A C -0.517 177.195 177.584 0.213 0.000 1.151 404 A CA -0.403 51.762 52.037 0.213 0.000 0.842 404 A CB 0.755 19.811 19.000 0.094 0.000 1.350 404 A HN 0.826 nan 8.150 nan 0.000 0.459 405 D N -0.834 119.744 120.400 0.296 0.000 2.800 405 D HA -0.114 4.524 4.640 -0.004 0.000 0.232 405 D C -0.340 176.018 176.300 0.096 0.000 1.137 405 D CA 0.642 54.733 54.000 0.151 0.000 0.718 405 D CB -1.478 39.381 40.800 0.098 0.000 1.084 405 D HN 0.252 nan 8.370 nan 0.000 0.432 406 L N 0.911 122.205 121.223 0.120 0.000 2.417 406 L HA 0.183 4.521 4.340 -0.004 0.000 0.268 406 L C 1.174 178.072 176.870 0.046 0.000 1.158 406 L CA 0.285 55.173 54.840 0.080 0.000 0.819 406 L CB 0.664 42.775 42.059 0.087 0.000 1.112 406 L HN 0.071 nan 8.230 nan 0.000 0.458 407 D N 4.666 125.088 120.400 0.037 0.000 2.450 407 D HA 0.028 4.666 4.640 -0.004 0.000 0.247 407 D C -1.640 174.672 176.300 0.021 0.000 1.162 407 D CA -1.301 52.714 54.000 0.026 0.000 0.879 407 D CB 1.597 42.413 40.800 0.027 0.000 1.163 407 D HN 0.247 nan 8.370 nan 0.000 0.472 408 P HA -0.125 nan 4.420 nan 0.000 0.218 408 P C 0.326 177.627 177.300 0.001 0.000 1.146 408 P CA 1.166 64.259 63.100 -0.012 0.000 0.813 408 P CB 0.246 31.930 31.700 -0.028 0.000 0.778 409 E N -1.311 118.898 120.200 0.014 0.000 2.463 409 E HA 0.244 4.592 4.350 -0.004 0.000 0.193 409 E C 0.586 177.206 176.600 0.033 0.000 1.041 409 E CA -0.503 55.910 56.400 0.021 0.000 0.879 409 E CB 0.081 29.793 29.700 0.020 0.000 0.997 409 E HN 0.164 nan 8.360 nan 0.000 0.478 410 A N 0.482 123.324 122.820 0.036 0.000 2.429 410 A HA 0.044 4.361 4.320 -0.004 0.000 0.242 410 A C 1.591 179.213 177.584 0.063 0.000 1.088 410 A CA -0.272 51.795 52.037 0.049 0.000 0.784 410 A CB 0.519 19.551 19.000 0.052 0.000 1.038 410 A HN 0.058 nan 8.150 nan 0.000 0.501 411 V N 1.476 121.440 119.914 0.084 0.000 2.295 411 V HA -0.268 3.850 4.120 -0.004 0.000 0.246 411 V C 2.200 178.362 176.094 0.113 0.000 1.049 411 V CA 2.519 64.891 62.300 0.121 0.000 1.024 411 V CB -1.089 30.831 31.823 0.161 0.000 0.648 411 V HN 0.875 nan 8.190 nan 0.000 0.447 412 I N -3.205 117.426 120.570 0.101 0.000 3.334 412 I HA -0.024 4.144 4.170 -0.004 0.000 0.282 412 I C 1.853 177.978 176.117 0.012 0.000 1.313 412 I CA 1.363 62.691 61.300 0.048 0.000 1.396 412 I CB -0.256 37.788 38.000 0.074 0.000 1.054 412 I HN 0.184 nan 8.210 nan 0.000 0.495 413 M N 0.039 119.656 119.600 0.028 0.000 2.356 413 M HA 0.168 4.646 4.480 -0.004 0.000 0.262 413 M C 0.979 177.293 176.300 0.023 0.000 1.097 413 M CA 0.318 55.625 55.300 0.013 0.000 0.991 413 M CB 0.486 33.094 32.600 0.014 0.000 1.450 413 M HN 0.384 nan 8.290 nan 0.000 0.495 414 Q N -0.344 119.481 119.800 0.042 0.000 2.527 414 Q HA 0.252 4.589 4.340 -0.004 0.000 0.252 414 Q C -0.038 176.031 176.000 0.116 0.000 0.827 414 Q CA 0.518 56.369 55.803 0.081 0.000 0.979 414 Q CB 1.041 29.827 28.738 0.079 0.000 1.248 414 Q HN 0.459 nan 8.270 nan 0.000 0.578 415 E N 1.798 122.035 120.200 0.061 0.000 2.216 415 E HA 0.195 4.543 4.350 -0.004 0.000 0.279 415 E C -0.690 175.834 176.600 -0.127 0.000 0.997 415 E CA -0.226 56.201 56.400 0.046 0.000 0.817 415 E CB 1.445 31.206 29.700 0.101 0.000 1.096 415 E HN 0.055 nan 8.360 nan 0.000 0.393 416 E N 2.949 123.100 120.200 -0.082 0.000 2.351 416 E HA 0.001 4.348 4.350 -0.004 0.000 0.266 416 E C 0.247 176.714 176.600 -0.222 0.000 1.031 416 E CA 0.048 56.361 56.400 -0.145 0.000 0.911 416 E CB 0.487 30.114 29.700 -0.121 0.000 0.986 416 E HN 0.517 nan 8.360 nan 0.000 0.446 417 I N 4.300 124.726 120.570 -0.239 0.000 2.731 417 I HA 0.016 4.184 4.170 -0.004 0.000 0.260 417 I C 0.506 176.688 176.117 0.108 0.000 1.138 417 I CA 0.069 61.213 61.300 -0.259 0.000 1.461 417 I CB 0.140 37.972 38.000 -0.280 0.000 1.128 417 I HN 0.727 nan 8.210 nan 0.000 0.438 418 F N 1.479 121.381 119.950 -0.079 0.000 3.040 418 F HA -0.188 4.337 4.527 -0.004 0.000 0.298 418 F C 0.359 176.168 175.800 0.015 0.000 0.948 418 F CA 0.149 58.146 58.000 -0.004 0.000 1.022 418 F CB -1.045 38.003 39.000 0.079 0.000 1.023 418 F HN 0.195 nan 8.300 nan 0.000 0.742 419 G N 0.183 108.984 108.800 0.002 0.000 2.682 419 G HA2 0.623 4.581 3.960 -0.004 0.000 0.290 419 G HA3 0.623 4.581 3.960 -0.004 0.000 0.290 419 G C -3.177 171.735 174.900 0.020 0.000 1.425 419 G CA -0.880 44.226 45.100 0.010 0.000 0.807 419 G HN -0.179 nan 8.290 nan 0.000 0.482 420 P HA 0.356 nan 4.420 nan 0.000 0.225 420 P C -0.675 176.854 177.300 0.380 0.000 1.813 420 P CA -0.184 63.089 63.100 0.288 0.000 1.013 420 P CB 0.461 32.317 31.700 0.260 0.000 1.961 421 V N 2.149 122.175 119.914 0.186 0.000 2.638 421 V HA 0.384 4.502 4.120 -0.004 0.000 0.306 421 V C 0.013 176.111 176.094 0.006 0.000 1.052 421 V CA -0.847 61.538 62.300 0.142 0.000 0.885 421 V CB 2.740 34.606 31.823 0.072 0.000 0.999 421 V HN 0.045 nan 8.190 nan 0.000 0.424 422 V N 1.989 121.926 119.914 0.038 0.000 2.588 422 V HA 0.918 5.036 4.120 -0.004 0.000 0.304 422 V C 0.182 176.325 176.094 0.082 0.000 1.042 422 V CA -0.917 61.360 62.300 -0.038 0.000 0.877 422 V CB 1.618 33.385 31.823 -0.094 0.000 0.996 422 V HN 0.982 nan 8.190 nan 0.000 0.425 423 A N 3.792 126.629 122.820 0.027 0.000 2.301 423 A HA 0.858 5.176 4.320 -0.004 0.000 0.312 423 A C -1.030 176.604 177.584 0.082 0.000 1.182 423 A CA -0.262 51.833 52.037 0.097 0.000 0.826 423 A CB 0.429 19.462 19.000 0.054 0.000 1.134 423 A HN 0.662 nan 8.150 nan 0.000 0.501 424 F N 1.321 121.308 119.950 0.062 0.000 2.421 424 F HA 0.602 5.127 4.527 -0.004 0.000 0.337 424 F C 0.821 176.738 175.800 0.195 0.000 1.105 424 F CA 0.336 58.402 58.000 0.110 0.000 1.049 424 F CB 2.200 41.248 39.000 0.080 0.000 1.139 424 F HN 0.496 nan 8.300 nan 0.000 0.479 425 S N 3.158 119.060 115.700 0.337 0.000 2.541 425 S HA 0.407 4.874 4.470 -0.004 0.000 0.280 425 S C -1.117 173.582 174.600 0.166 0.000 1.112 425 S CA -0.868 57.453 58.200 0.202 0.000 0.925 425 S CB 1.163 64.391 63.200 0.046 0.000 1.067 425 S HN 0.612 nan 8.310 nan 0.000 0.479 426 K N 2.785 123.122 120.400 -0.104 0.000 2.227 426 K HA 0.697 5.015 4.320 -0.004 0.000 0.280 426 K C -0.516 176.025 176.600 -0.097 0.000 1.041 426 K CA -0.424 55.718 56.287 -0.241 0.000 0.905 426 K CB 0.843 32.952 32.500 -0.652 0.000 1.068 426 K HN 0.605 nan 8.250 nan 0.000 0.470 427 A N 3.993 126.774 122.820 -0.066 0.000 2.317 427 A HA 0.267 4.585 4.320 -0.004 0.000 0.327 427 A C 0.340 177.892 177.584 -0.052 0.000 1.178 427 A CA -0.827 51.174 52.037 -0.060 0.000 0.817 427 A CB 0.844 19.726 19.000 -0.196 0.000 1.189 427 A HN 0.947 nan 8.150 nan 0.000 0.489 428 N N 0.636 119.435 118.700 0.164 0.000 2.244 428 N HA -0.076 4.662 4.740 -0.004 0.000 0.183 428 N C -0.200 175.167 175.510 -0.238 0.000 1.016 428 N CA 1.883 54.889 53.050 -0.073 0.000 0.866 428 N CB -0.078 38.336 38.487 -0.121 0.000 0.980 428 N HN 0.942 nan 8.380 nan 0.000 0.430 429 D N -3.520 116.767 120.400 -0.189 0.000 2.792 429 D HA 0.051 4.689 4.640 -0.004 0.000 0.335 429 D C 0.379 176.695 176.300 0.027 0.000 1.353 429 D CA -0.738 53.193 54.000 -0.115 0.000 0.839 429 D CB 0.005 40.847 40.800 0.069 0.000 1.396 429 D HN -0.194 nan 8.370 nan 0.000 0.479 430 F N 0.797 120.751 119.950 0.008 0.000 2.102 430 F HA -0.089 4.436 4.527 -0.004 0.000 0.298 430 F C 1.610 177.341 175.800 -0.114 0.000 1.105 430 F CA 1.816 59.754 58.000 -0.102 0.000 1.239 430 F CB -0.191 38.569 39.000 -0.400 0.000 0.991 430 F HN 0.315 nan 8.300 nan 0.000 0.474 431 D N -1.314 119.066 120.400 -0.034 0.000 2.123 431 D HA -0.275 4.362 4.640 -0.004 0.000 0.196 431 D C 2.133 178.368 176.300 -0.108 0.000 0.992 431 D CA 1.714 55.666 54.000 -0.079 0.000 0.833 431 D CB -0.812 40.005 40.800 0.028 0.000 0.954 431 D HN 0.532 nan 8.370 nan 0.000 0.455 432 H N 0.689 119.660 119.070 -0.164 0.000 2.457 432 H HA 0.028 4.581 4.556 -0.004 0.000 0.294 432 H C 1.933 177.125 175.328 -0.226 0.000 1.064 432 H CA 1.035 56.982 56.048 -0.168 0.000 1.330 432 H CB 0.361 30.043 29.762 -0.134 0.000 1.395 432 H HN 0.056 nan 8.280 nan 0.000 0.541 433 A N 1.062 123.656 122.820 -0.377 0.000 1.929 433 A HA -0.052 4.266 4.320 -0.004 0.000 0.216 433 A C 2.558 179.811 177.584 -0.551 0.000 1.176 433 A CA 0.633 52.389 52.037 -0.467 0.000 0.628 433 A CB -0.574 18.200 19.000 -0.377 0.000 0.816 433 A HN 0.408 nan 8.150 nan 0.000 0.444 434 L N -0.738 120.113 121.223 -0.620 0.000 2.141 434 L HA -0.156 4.181 4.340 -0.004 0.000 0.209 434 L C 2.612 179.203 176.870 -0.465 0.000 1.094 434 L CA 1.600 56.057 54.840 -0.639 0.000 0.763 434 L CB -0.440 41.283 42.059 -0.559 0.000 0.908 434 L HN 0.624 nan 8.230 nan 0.000 0.437 435 E N 1.095 121.098 120.200 -0.329 0.000 2.047 435 E HA -0.216 4.131 4.350 -0.004 0.000 0.191 435 E C 2.294 178.757 176.600 -0.229 0.000 0.987 435 E CA 1.212 57.488 56.400 -0.206 0.000 0.799 435 E CB 0.021 29.672 29.700 -0.081 0.000 0.752 435 E HN 0.476 nan 8.360 nan 0.000 0.449 436 I N 1.066 121.440 120.570 -0.326 0.000 2.252 436 I HA -0.207 3.961 4.170 -0.004 0.000 0.245 436 I C 2.655 178.613 176.117 -0.265 0.000 1.102 436 I CA 0.851 61.979 61.300 -0.287 0.000 1.385 436 I CB -0.356 37.426 38.000 -0.364 0.000 1.064 436 I HN 0.166 nan 8.210 nan 0.000 0.414 437 A N 1.102 123.686 122.820 -0.393 0.000 1.883 437 A HA -0.212 4.106 4.320 -0.004 0.000 0.217 437 A C 1.881 179.274 177.584 -0.319 0.000 1.186 437 A CA 1.910 53.660 52.037 -0.479 0.000 0.624 437 A CB -0.635 17.703 19.000 -1.104 0.000 0.822 437 A HN 0.438 nan 8.150 nan 0.000 0.444 438 N N 0.618 119.139 118.700 -0.297 0.000 2.449 438 N HA -0.075 4.663 4.740 -0.004 0.000 0.191 438 N C 0.726 176.222 175.510 -0.022 0.000 1.161 438 N CA 0.756 53.745 53.050 -0.100 0.000 0.863 438 N CB -0.190 38.254 38.487 -0.071 0.000 0.980 438 N HN 0.770 nan 8.380 nan 0.000 0.458 439 N N 0.264 118.934 118.700 -0.050 0.000 2.336 439 N HA -0.067 4.671 4.740 -0.004 0.000 0.189 439 N C 0.424 175.942 175.510 0.013 0.000 1.113 439 N CA 0.002 53.040 53.050 -0.020 0.000 0.858 439 N CB -0.222 38.240 38.487 -0.042 0.000 0.970 439 N HN 0.024 nan 8.380 nan 0.000 0.471 440 T N -2.474 112.106 114.554 0.044 0.000 2.862 440 T HA 0.273 4.621 4.350 -0.004 0.000 0.276 440 T C 0.608 175.338 174.700 0.050 0.000 0.974 440 T CA -0.578 61.571 62.100 0.083 0.000 0.966 440 T CB 1.289 70.266 68.868 0.181 0.000 1.072 440 T HN -0.057 nan 8.240 nan 0.000 0.538 441 E N -0.087 120.101 120.200 -0.020 0.000 2.476 441 E HA 0.124 4.472 4.350 -0.004 0.000 0.191 441 E C -0.568 175.875 176.600 -0.262 0.000 1.064 441 E CA 0.140 56.442 56.400 -0.164 0.000 0.866 441 E CB -0.145 29.395 29.700 -0.267 0.000 0.952 441 E HN 0.641 nan 8.360 nan 0.000 0.492 442 Y N -0.530 119.794 120.300 0.040 0.000 2.568 442 Y HA 0.558 5.106 4.550 -0.003 0.000 0.327 442 Y C 1.393 177.327 175.900 0.057 0.000 1.163 442 Y CA -0.754 57.370 58.100 0.041 0.000 1.219 442 Y CB 1.888 40.367 38.460 0.032 0.000 1.308 442 Y HN -0.114 nan 8.280 nan 0.000 0.503 443 G N 0.598 109.528 108.800 0.216 0.000 5.414 443 G HA2 0.192 4.150 3.960 -0.004 0.000 0.202 443 G HA3 0.192 4.150 3.960 -0.004 0.000 0.202 443 G C -0.346 174.462 174.900 -0.154 0.000 0.727 443 G CA -0.073 45.079 45.100 0.086 0.000 0.670 443 G HN 0.463 nan 8.290 nan 0.000 0.442 444 L N 1.012 122.174 121.223 -0.102 0.000 2.121 444 L HA 0.538 4.876 4.340 -0.004 0.000 0.200 444 L C 1.426 178.126 176.870 -0.284 0.000 1.132 444 L CA 2.218 56.919 54.840 -0.231 0.000 0.782 444 L CB -0.146 41.841 42.059 -0.121 0.000 0.940 444 L HN 0.286 nan 8.230 nan 0.000 0.458 445 T N -2.382 112.086 114.554 -0.142 0.000 2.916 445 T HA 0.790 5.138 4.350 -0.004 0.000 0.292 445 T C -0.289 174.321 174.700 -0.149 0.000 1.064 445 T CA -0.223 61.803 62.100 -0.123 0.000 1.011 445 T CB 1.813 70.729 68.868 0.080 0.000 1.152 445 T HN 0.563 nan 8.240 nan 0.000 0.510 446 G N -0.598 108.027 108.800 -0.291 0.000 2.660 446 G HA2 0.786 4.744 3.960 -0.004 0.000 0.290 446 G HA3 0.786 4.744 3.960 -0.004 0.000 0.290 446 G C -1.633 173.032 174.900 -0.391 0.000 1.432 446 G CA -0.509 44.364 45.100 -0.377 0.000 0.807 446 G HN 1.194 nan 8.290 nan 0.000 0.485 447 A N -0.630 122.038 122.820 -0.253 0.000 2.435 447 A HA 0.836 5.154 4.320 -0.004 0.000 0.304 447 A C -1.182 176.351 177.584 -0.084 0.000 1.064 447 A CA -0.639 51.274 52.037 -0.208 0.000 0.727 447 A CB 2.111 21.056 19.000 -0.092 0.000 1.284 447 A HN 1.458 nan 8.150 nan 0.000 0.415 448 V N 3.222 123.075 119.914 -0.102 0.000 2.444 448 V HA 0.380 4.497 4.120 -0.004 0.000 0.294 448 V C -0.727 175.508 176.094 0.236 0.000 1.022 448 V CA -0.460 61.949 62.300 0.180 0.000 0.850 448 V CB 1.365 33.432 31.823 0.406 0.000 0.992 448 V HN 0.677 nan 8.190 nan 0.000 0.426 449 I N 4.088 124.786 120.570 0.213 0.000 2.307 449 I HA 0.619 4.786 4.170 -0.004 0.000 0.289 449 I C 0.191 176.428 176.117 0.200 0.000 1.021 449 I CA 0.315 61.723 61.300 0.180 0.000 1.224 449 I CB 0.793 38.863 38.000 0.118 0.000 1.376 449 I HN 0.748 nan 8.210 nan 0.000 0.470 450 T N 5.768 120.432 114.554 0.184 0.000 2.886 450 T HA 0.375 4.723 4.350 -0.004 0.000 0.330 450 T C 0.381 175.123 174.700 0.070 0.000 1.488 450 T CA -0.553 61.626 62.100 0.131 0.000 1.054 450 T CB 1.541 70.491 68.868 0.137 0.000 1.348 450 T HN 0.682 nan 8.240 nan 0.000 0.489 451 R N 1.517 122.031 120.500 0.023 0.000 2.362 451 R HA 0.228 4.566 4.340 -0.004 0.000 0.227 451 R C 0.360 176.621 176.300 -0.066 0.000 0.905 451 R CA -0.325 55.766 56.100 -0.014 0.000 1.067 451 R CB 0.210 30.502 30.300 -0.012 0.000 1.078 451 R HN 0.356 nan 8.270 nan 0.000 0.516 452 N N 1.499 120.137 118.700 -0.103 0.000 2.420 452 N HA 0.025 4.763 4.740 -0.004 0.000 0.249 452 N C 0.708 176.092 175.510 -0.211 0.000 1.033 452 N CA 0.052 52.965 53.050 -0.228 0.000 0.944 452 N CB 1.294 39.508 38.487 -0.453 0.000 1.113 452 N HN -0.085 nan 8.380 nan 0.000 0.502 453 R N 3.685 124.075 120.500 -0.183 0.000 2.091 453 R HA -0.037 4.301 4.340 -0.004 0.000 0.238 453 R C 1.787 177.993 176.300 -0.156 0.000 1.136 453 R CA 2.029 58.035 56.100 -0.156 0.000 0.959 453 R CB -0.452 29.775 30.300 -0.122 0.000 0.856 453 R HN 0.690 nan 8.270 nan 0.000 0.437 454 A N -0.758 121.949 122.820 -0.189 0.000 1.933 454 A HA -0.180 4.138 4.320 -0.004 0.000 0.218 454 A C 1.841 179.401 177.584 -0.040 0.000 1.175 454 A CA 1.740 53.700 52.037 -0.127 0.000 0.628 454 A CB -0.784 18.120 19.000 -0.160 0.000 0.814 454 A HN 0.616 nan 8.150 nan 0.000 0.444 455 H N -0.958 117.979 119.070 -0.221 0.000 2.462 455 H HA 0.039 4.593 4.556 -0.004 0.000 0.292 455 H C 1.909 177.199 175.328 -0.062 0.000 1.049 455 H CA 0.877 56.690 56.048 -0.391 0.000 1.334 455 H CB -0.043 29.068 29.762 -1.086 0.000 1.404 455 H HN 0.453 nan 8.280 nan 0.000 0.544 456 I N 0.867 121.440 120.570 0.005 0.000 2.163 456 I HA -0.221 3.947 4.170 -0.004 0.000 0.240 456 I C 2.202 178.264 176.117 -0.092 0.000 1.081 456 I CA 1.070 62.269 61.300 -0.167 0.000 1.353 456 I CB -0.076 37.609 38.000 -0.524 0.000 1.054 456 I HN 0.251 nan 8.210 nan 0.000 0.407 457 E N 0.478 120.643 120.200 -0.058 0.000 2.106 457 E HA -0.263 4.084 4.350 -0.004 0.000 0.192 457 E C 2.023 178.694 176.600 0.118 0.000 0.984 457 E CA 1.000 57.406 56.400 0.011 0.000 0.806 457 E CB -0.368 29.328 29.700 -0.007 0.000 0.750 457 E HN 0.548 nan 8.360 nan 0.000 0.458 458 Q N 0.053 119.957 119.800 0.173 0.000 2.167 458 Q HA -0.085 4.253 4.340 -0.004 0.000 0.202 458 Q C 1.935 178.113 176.000 0.297 0.000 0.970 458 Q CA 1.237 57.183 55.803 0.237 0.000 0.855 458 Q CB 0.048 28.971 28.738 0.309 0.000 0.911 458 Q HN 0.214 nan 8.270 nan 0.000 0.438 459 A N 0.969 124.037 122.820 0.413 0.000 1.897 459 A HA -0.139 4.179 4.320 -0.004 0.000 0.215 459 A C 1.885 179.719 177.584 0.417 0.000 1.181 459 A CA 1.186 53.520 52.037 0.495 0.000 0.620 459 A CB -0.256 19.203 19.000 0.766 0.000 0.821 459 A HN 0.263 nan 8.150 nan 0.000 0.443 460 K N -0.531 120.119 120.400 0.415 0.000 2.173 460 K HA -0.181 4.136 4.320 -0.004 0.000 0.207 460 K C 2.189 178.925 176.600 0.226 0.000 1.046 460 K CA 1.691 58.162 56.287 0.307 0.000 0.929 460 K CB -0.145 32.483 32.500 0.213 0.000 0.720 460 K HN 0.420 nan 8.250 nan 0.000 0.453 461 R N 0.064 120.686 120.500 0.203 0.000 2.105 461 R HA 0.010 4.348 4.340 -0.004 0.000 0.214 461 R C 1.518 177.922 176.300 0.173 0.000 1.091 461 R CA 0.862 57.070 56.100 0.179 0.000 1.007 461 R CB 0.244 30.631 30.300 0.145 0.000 0.912 461 R HN 0.210 nan 8.270 nan 0.000 0.450 462 E N -0.550 119.701 120.200 0.085 0.000 2.473 462 E HA 0.049 4.397 4.350 -0.004 0.000 0.204 462 E C -0.542 175.796 176.600 -0.436 0.000 0.994 462 E CA -0.263 56.035 56.400 -0.169 0.000 0.945 462 E CB 0.424 30.085 29.700 -0.065 0.000 0.990 462 E HN -0.022 nan 8.360 nan 0.000 0.493 463 F N 2.972 122.775 119.950 -0.245 0.000 2.405 463 F HA 0.120 4.645 4.527 -0.004 0.000 0.358 463 F C -0.062 175.682 175.800 -0.095 0.000 1.151 463 F CA -1.053 56.824 58.000 -0.205 0.000 1.161 463 F CB -0.006 38.940 39.000 -0.090 0.000 1.245 463 F HN -0.001 nan 8.300 nan 0.000 0.545 464 H N 6.184 125.520 119.070 0.443 0.000 2.855 464 H HA 0.342 4.896 4.556 -0.003 0.000 0.238 464 H C -0.201 175.364 175.328 0.395 0.000 1.847 464 H CA -0.042 56.266 56.048 0.433 0.000 1.368 464 H CB -0.486 29.464 29.762 0.313 0.000 1.758 464 H HN 0.328 nan 8.280 nan 0.000 0.546 465 V N -1.870 118.166 119.914 0.203 0.000 2.914 465 V HA 0.631 4.749 4.120 -0.004 0.000 0.314 465 V C 1.206 176.775 176.094 -0.875 0.000 1.084 465 V CA -0.703 61.395 62.300 -0.337 0.000 0.963 465 V CB 1.847 33.498 31.823 -0.286 0.000 1.025 465 V HN 0.429 nan 8.190 nan 0.000 0.432 466 G N 1.652 109.681 108.800 -1.285 0.000 2.422 466 G HA2 -0.068 3.890 3.960 -0.004 0.000 0.218 466 G HA3 -0.068 3.890 3.960 -0.004 0.000 0.218 466 G C 0.341 174.934 174.900 -0.512 0.000 1.140 466 G CA 0.489 44.989 45.100 -1.000 0.000 0.775 466 G HN 0.720 nan 8.290 nan 0.000 0.545 467 N N -0.374 118.024 118.700 -0.503 0.000 2.569 467 N HA 0.512 5.250 4.740 -0.004 0.000 0.254 467 N C -1.590 173.522 175.510 -0.664 0.000 1.004 467 N CA -0.462 52.296 53.050 -0.488 0.000 0.904 467 N CB 2.156 40.477 38.487 -0.276 0.000 1.165 467 N HN 0.090 nan 8.380 nan 0.000 0.513 468 L N 3.328 124.091 121.223 -0.767 0.000 2.341 468 L HA 0.586 4.924 4.340 -0.004 0.000 0.278 468 L C -1.669 174.652 176.870 -0.916 0.000 1.005 468 L CA -0.682 53.683 54.840 -0.792 0.000 0.818 468 L CB 0.467 42.171 42.059 -0.591 0.000 1.259 468 L HN 0.438 nan 8.230 nan 0.000 0.418 469 Y N 4.186 124.118 120.300 -0.614 0.000 2.499 469 Y HA 0.653 5.201 4.550 -0.004 0.000 0.347 469 Y C -0.969 174.530 175.900 -0.669 0.000 0.987 469 Y CA -0.496 57.333 58.100 -0.452 0.000 1.044 469 Y CB 1.965 40.251 38.460 -0.291 0.000 1.245 469 Y HN 0.389 nan 8.280 nan 0.000 0.461 470 F N 1.812 121.835 119.950 0.122 0.000 2.518 470 F HA 0.366 4.891 4.527 -0.004 0.000 0.323 470 F C -0.091 175.752 175.800 0.073 0.000 1.129 470 F CA -1.456 56.596 58.000 0.087 0.000 0.920 470 F CB 1.437 40.479 39.000 0.071 0.000 1.160 470 F HN 0.549 nan 8.300 nan 0.000 0.440 471 N N 2.369 121.201 118.700 0.220 0.000 2.758 471 N HA -0.234 4.504 4.740 -0.004 0.000 0.248 471 N C -0.579 174.974 175.510 0.072 0.000 1.076 471 N CA 0.969 54.099 53.050 0.135 0.000 0.696 471 N CB -0.766 37.801 38.487 0.134 0.000 0.979 471 N HN 0.899 nan 8.380 nan 0.000 0.550 472 R N -1.941 118.577 120.500 0.030 0.000 2.835 472 R HA 0.326 4.663 4.340 -0.004 0.000 0.271 472 R C -0.530 175.708 176.300 -0.103 0.000 1.013 472 R CA -0.978 55.098 56.100 -0.039 0.000 0.876 472 R CB 0.374 30.639 30.300 -0.059 0.000 1.348 472 R HN 0.053 nan 8.270 nan 0.000 0.453 473 N N -0.022 118.577 118.700 -0.169 0.000 2.415 473 N HA 0.015 4.753 4.740 -0.004 0.000 0.248 473 N C 0.647 175.927 175.510 -0.384 0.000 1.271 473 N CA -0.018 52.901 53.050 -0.219 0.000 0.913 473 N CB 1.298 39.666 38.487 -0.198 0.000 1.129 473 N HN 0.826 nan 8.380 nan 0.000 0.444 474 C N -2.090 117.022 119.300 -0.313 0.000 2.693 474 C HA 0.250 4.707 4.460 -0.004 0.000 0.286 474 C C 1.107 175.891 174.990 -0.344 0.000 1.277 474 C CA -0.353 58.463 59.018 -0.336 0.000 1.705 474 C CB -2.075 25.608 27.740 -0.095 0.000 1.879 474 C HN 0.771 nan 8.230 nan 0.000 0.607 475 T N -3.478 110.861 114.554 -0.359 0.000 2.922 475 T HA 0.653 5.001 4.350 -0.004 0.000 0.281 475 T C 0.952 175.440 174.700 -0.352 0.000 1.005 475 T CA 0.494 62.440 62.100 -0.257 0.000 0.982 475 T CB 0.870 69.647 68.868 -0.152 0.000 1.158 475 T HN 1.664 nan 8.240 nan 0.000 0.566 476 G N -0.019 108.628 108.800 -0.254 0.000 2.256 476 G HA2 0.176 4.133 3.960 -0.004 0.000 0.272 476 G HA3 0.176 4.133 3.960 -0.004 0.000 0.272 476 G C 0.268 175.032 174.900 -0.226 0.000 1.076 476 G CA -0.101 44.855 45.100 -0.240 0.000 0.882 476 G HN 1.380 nan 8.290 nan 0.000 0.497 477 A N -0.524 122.177 122.820 -0.199 0.000 2.520 477 A HA 0.599 4.917 4.320 -0.004 0.000 0.235 477 A C 0.667 178.272 177.584 0.035 0.000 1.065 477 A CA 0.440 52.487 52.037 0.016 0.000 0.764 477 A CB 0.328 19.385 19.000 0.094 0.000 1.002 477 A HN 0.969 nan 8.150 nan 0.000 0.502 478 I N 2.411 123.148 120.570 0.278 0.000 2.378 478 I HA 0.188 4.355 4.170 -0.004 0.000 0.291 478 I C -0.210 175.846 176.117 -0.101 0.000 0.992 478 I CA -0.961 60.317 61.300 -0.036 0.000 1.154 478 I CB 1.814 39.658 38.000 -0.260 0.000 1.315 478 I HN 0.349 nan 8.210 nan 0.000 0.448 479 V N 6.326 126.077 119.914 -0.271 0.000 2.583 479 V HA 0.006 4.124 4.120 -0.004 0.000 0.302 479 V C 1.396 177.273 176.094 -0.362 0.000 1.033 479 V CA 1.666 63.695 62.300 -0.452 0.000 1.194 479 V CB -0.294 31.107 31.823 -0.704 0.000 0.879 479 V HN 1.218 nan 8.190 nan 0.000 0.482 480 G N 3.706 112.104 108.800 -0.669 0.000 2.176 480 G HA2 -0.324 3.634 3.960 -0.004 0.000 0.253 480 G HA3 -0.324 3.634 3.960 -0.004 0.000 0.253 480 G C 0.233 174.927 174.900 -0.344 0.000 0.979 480 G CA 0.688 45.384 45.100 -0.674 0.000 0.641 480 G HN 0.751 nan 8.290 nan 0.000 0.530 481 Y N -0.832 119.263 120.300 -0.342 0.000 2.701 481 Y HA 0.349 4.897 4.550 -0.004 0.000 0.275 481 Y C 1.371 176.931 175.900 -0.568 0.000 1.133 481 Y CA 0.624 58.437 58.100 -0.479 0.000 1.241 481 Y CB 0.597 38.629 38.460 -0.714 0.000 1.389 481 Y HN 0.404 nan 8.280 nan 0.000 0.486 482 H N -0.268 118.886 119.070 0.139 0.000 2.348 482 H HA 0.347 4.901 4.556 -0.004 0.000 0.232 482 H C -2.792 172.592 175.328 0.093 0.000 1.419 482 H CA -2.274 53.845 56.048 0.117 0.000 1.416 482 H CB 0.324 30.213 29.762 0.212 0.000 1.510 482 H HN -0.080 nan 8.280 nan 0.000 0.507 483 P HA -0.122 nan 4.420 nan 0.000 0.264 483 P C -0.720 176.679 177.300 0.166 0.000 1.183 483 P CA 0.390 63.552 63.100 0.103 0.000 0.763 483 P CB 0.433 32.179 31.700 0.078 0.000 0.807 484 F N 3.391 123.346 119.950 0.007 0.000 2.444 484 F HA 0.714 5.239 4.527 -0.004 0.000 0.342 484 F C 0.414 176.222 175.800 0.013 0.000 1.121 484 F CA 0.381 58.382 58.000 0.002 0.000 0.997 484 F CB 1.455 40.449 39.000 -0.010 0.000 1.130 484 F HN 0.502 nan 8.300 nan 0.000 0.454 485 G N 2.420 110.846 108.800 -0.623 0.000 2.340 485 G HA2 0.486 4.444 3.960 -0.004 0.000 0.300 485 G HA3 0.486 4.444 3.960 -0.004 0.000 0.300 485 G C -1.576 173.060 174.900 -0.441 0.000 1.488 485 G CA -0.151 44.700 45.100 -0.415 0.000 0.878 485 G HN 1.106 nan 8.290 nan 0.000 0.618 486 G N -1.465 107.159 108.800 -0.293 0.000 2.827 486 G HA2 0.801 4.759 3.960 -0.004 0.000 0.296 486 G HA3 0.801 4.759 3.960 -0.004 0.000 0.296 486 G C -0.907 173.967 174.900 -0.043 0.000 1.362 486 G CA -0.943 43.936 45.100 -0.369 0.000 0.809 486 G HN 0.638 nan 8.290 nan 0.000 0.522 487 F N 0.161 120.101 119.950 -0.018 0.000 2.461 487 F HA 0.577 5.102 4.527 -0.004 0.000 0.332 487 F C 1.129 176.928 175.800 -0.002 0.000 1.073 487 F CA -0.660 57.335 58.000 -0.008 0.000 1.017 487 F CB 1.403 40.407 39.000 0.006 0.000 1.301 487 F HN 0.602 nan 8.300 nan 0.000 0.492 488 K N -0.472 120.044 120.400 0.193 0.000 1.844 488 K HA -0.250 4.068 4.320 -0.004 0.000 0.160 488 K C 0.471 177.068 176.600 -0.005 0.000 1.448 488 K CA 1.360 57.682 56.287 0.059 0.000 0.446 488 K CB -0.916 31.621 32.500 0.062 0.000 0.635 488 K HN 0.449 nan 8.250 nan 0.000 0.848 489 M N 1.163 120.712 119.600 -0.086 0.000 2.682 489 M HA 0.039 4.517 4.480 -0.004 0.000 0.235 489 M C 1.230 177.565 176.300 0.059 0.000 1.114 489 M CA 1.190 56.408 55.300 -0.137 0.000 1.053 489 M CB -0.696 31.660 32.600 -0.407 0.000 1.599 489 M HN 0.365 nan 8.290 nan 0.000 0.520 490 S N 0.166 115.956 115.700 0.151 0.000 2.522 490 S HA 0.314 4.782 4.470 -0.004 0.000 0.227 490 S C 1.336 175.997 174.600 0.102 0.000 0.986 490 S CA 0.616 58.926 58.200 0.183 0.000 0.929 490 S CB 0.143 63.408 63.200 0.107 0.000 0.769 490 S HN 0.743 nan 8.310 nan 0.000 0.529 491 G N 1.009 109.841 108.800 0.053 0.000 2.250 491 G HA2 -0.145 3.813 3.960 -0.004 0.000 0.196 491 G HA3 -0.145 3.813 3.960 -0.004 0.000 0.196 491 G C 0.374 175.275 174.900 0.002 0.000 1.308 491 G CA -0.025 45.085 45.100 0.018 0.000 1.207 491 G HN 0.343 nan 8.290 nan 0.000 0.505 492 T N -1.881 112.693 114.554 0.032 0.000 3.086 492 T HA 0.391 4.739 4.350 -0.004 0.000 0.250 492 T C 0.744 175.497 174.700 0.088 0.000 1.074 492 T CA 1.285 63.413 62.100 0.047 0.000 0.988 492 T CB 0.208 69.120 68.868 0.074 0.000 0.988 492 T HN 1.587 nan 8.240 nan 0.000 0.530 493 D N 1.262 121.722 120.400 0.101 0.000 2.689 493 D HA -0.156 4.482 4.640 -0.004 0.000 0.237 493 D C -0.870 175.510 176.300 0.132 0.000 1.148 493 D CA 0.285 54.356 54.000 0.118 0.000 0.656 493 D CB -1.660 39.268 40.800 0.213 0.000 1.050 493 D HN 0.490 nan 8.370 nan 0.000 0.426 494 S N 1.578 117.372 115.700 0.156 0.000 2.409 494 S HA 0.156 4.624 4.470 -0.004 0.000 0.308 494 S C 0.399 175.203 174.600 0.340 0.000 1.080 494 S CA -0.772 57.571 58.200 0.237 0.000 1.081 494 S CB 1.135 64.465 63.200 0.216 0.000 1.009 494 S HN 0.078 nan 8.310 nan 0.000 0.502 495 K N 3.256 123.837 120.400 0.302 0.000 2.054 495 K HA 0.179 4.497 4.320 -0.004 0.000 0.242 495 K C 0.529 177.230 176.600 0.169 0.000 1.157 495 K CA -0.129 56.286 56.287 0.212 0.000 1.079 495 K CB -0.388 32.215 32.500 0.172 0.000 1.331 495 K HN 0.724 nan 8.250 nan 0.000 0.317 496 A N 0.715 123.514 122.820 -0.035 0.000 2.587 496 A HA 0.282 4.600 4.320 -0.004 0.000 0.235 496 A C 1.319 178.902 177.584 -0.001 0.000 1.044 496 A CA 0.926 52.710 52.037 -0.421 0.000 0.754 496 A CB -0.257 18.643 19.000 -0.167 0.000 0.968 496 A HN 0.886 nan 8.150 nan 0.000 0.509 497 G N 1.293 110.172 108.800 0.131 0.000 2.198 497 G HA2 0.159 4.116 3.960 -0.004 0.000 0.260 497 G HA3 0.159 4.116 3.960 -0.004 0.000 0.260 497 G C 0.685 175.504 174.900 -0.135 0.000 1.025 497 G CA 0.798 45.856 45.100 -0.070 0.000 0.769 497 G HN 2.161 nan 8.290 nan 0.000 0.507 498 G N -1.251 107.695 108.800 0.243 0.000 2.605 498 G HA2 0.805 4.763 3.960 -0.004 0.000 0.296 498 G HA3 0.805 4.763 3.960 -0.004 0.000 0.296 498 G C -1.020 174.141 174.900 0.434 0.000 1.304 498 G CA -0.449 44.816 45.100 0.275 0.000 0.941 498 G HN 0.003 nan 8.290 nan 0.000 0.475 499 P HA -0.033 nan 4.420 nan 0.000 0.225 499 P C 0.244 177.644 177.300 0.166 0.000 1.148 499 P CA 0.934 64.161 63.100 0.211 0.000 0.779 499 P CB 0.473 32.259 31.700 0.142 0.000 0.780 500 D N -2.106 118.413 120.400 0.197 0.000 2.339 500 D HA -0.033 4.605 4.640 -0.004 0.000 0.217 500 D C 1.586 177.992 176.300 0.177 0.000 1.050 500 D CA 0.062 54.153 54.000 0.152 0.000 0.856 500 D CB -0.432 40.452 40.800 0.140 0.000 0.922 500 D HN 0.150 nan 8.370 nan 0.000 0.518 501 Y N 1.447 121.818 120.300 0.119 0.000 2.220 501 Y HA -0.043 4.505 4.550 -0.004 0.000 0.291 501 Y C 2.062 178.024 175.900 0.103 0.000 1.129 501 Y CA 1.136 59.313 58.100 0.128 0.000 1.161 501 Y CB -0.118 38.465 38.460 0.204 0.000 0.997 501 Y HN -0.111 nan 8.280 nan 0.000 0.522 502 L N -0.958 120.283 121.223 0.029 0.000 2.156 502 L HA -0.121 4.216 4.340 -0.004 0.000 0.208 502 L C 2.596 179.411 176.870 -0.091 0.000 1.095 502 L CA 0.997 55.776 54.840 -0.102 0.000 0.770 502 L CB -0.933 41.039 42.059 -0.146 0.000 0.914 502 L HN 0.259 nan 8.230 nan 0.000 0.439 503 A N 0.260 122.981 122.820 -0.164 0.000 2.070 503 A HA -0.129 4.189 4.320 -0.004 0.000 0.220 503 A C 2.165 179.686 177.584 -0.105 0.000 1.159 503 A CA 1.101 52.987 52.037 -0.253 0.000 0.656 503 A CB -0.552 18.265 19.000 -0.304 0.000 0.800 503 A HN 0.399 nan 8.150 nan 0.000 0.453 504 L N -1.592 119.561 121.223 -0.118 0.000 2.362 504 L HA -0.116 4.222 4.340 -0.004 0.000 0.219 504 L C 1.665 178.343 176.870 -0.320 0.000 1.134 504 L CA 0.894 55.606 54.840 -0.214 0.000 0.807 504 L CB -0.477 41.386 42.059 -0.327 0.000 0.927 504 L HN 0.460 nan 8.230 nan 0.000 0.447 505 H N -1.558 117.391 119.070 -0.203 0.000 2.551 505 H HA 0.316 4.870 4.556 -0.003 0.000 0.271 505 H C 0.138 175.416 175.328 -0.083 0.000 0.984 505 H CA 0.120 56.074 56.048 -0.158 0.000 1.164 505 H CB 0.143 29.786 29.762 -0.198 0.000 1.437 505 H HN 0.180 nan 8.280 nan 0.000 0.550 506 M N 0.671 120.291 119.600 0.033 0.000 2.619 506 M HA 0.292 4.769 4.480 -0.004 0.000 0.297 506 M C -0.988 175.363 176.300 0.085 0.000 1.229 506 M CA -0.927 54.416 55.300 0.073 0.000 0.860 506 M CB 2.849 35.509 32.600 0.100 0.000 1.741 506 M HN 0.052 nan 8.290 nan 0.000 0.462 507 Q N 1.068 120.907 119.800 0.065 0.000 2.307 507 Q HA 0.778 5.116 4.340 -0.004 0.000 0.262 507 Q C -0.837 175.111 176.000 -0.087 0.000 0.961 507 Q CA -0.887 54.920 55.803 0.007 0.000 0.882 507 Q CB 1.752 30.468 28.738 -0.036 0.000 1.264 507 Q HN 0.730 nan 8.270 nan 0.000 0.446 508 A N 3.066 125.775 122.820 -0.184 0.000 2.462 508 A HA 0.288 4.606 4.320 -0.004 0.000 0.243 508 A C -0.356 176.837 177.584 -0.652 0.000 1.076 508 A CA -0.102 51.550 52.037 -0.640 0.000 0.773 508 A CB 0.411 18.945 19.000 -0.775 0.000 1.010 508 A HN 0.760 nan 8.150 nan 0.000 0.493 509 K N 1.148 120.970 120.400 -0.964 0.000 2.427 509 K HA 0.505 4.823 4.320 -0.004 0.000 0.252 509 K C -1.188 174.896 176.600 -0.859 0.000 0.931 509 K CA -0.337 55.449 56.287 -0.835 0.000 0.793 509 K CB 1.709 33.628 32.500 -0.967 0.000 1.211 509 K HN 0.640 nan 8.250 nan 0.000 0.426 510 T N 2.524 116.812 114.554 -0.444 0.000 2.794 510 T HA 0.419 4.767 4.350 -0.004 0.000 0.280 510 T C -1.068 173.565 174.700 -0.112 0.000 0.987 510 T CA -0.531 61.440 62.100 -0.214 0.000 0.993 510 T CB 1.289 70.116 68.868 -0.067 0.000 0.939 510 T HN 0.247 nan 8.240 nan 0.000 0.449 511 V N 2.643 122.560 119.914 0.006 0.000 2.638 511 V HA 0.738 4.855 4.120 -0.004 0.000 0.306 511 V C -0.428 175.697 176.094 0.051 0.000 1.052 511 V CA -0.674 61.668 62.300 0.070 0.000 0.885 511 V CB 2.155 34.114 31.823 0.226 0.000 0.999 511 V HN 0.865 nan 8.190 nan 0.000 0.424 512 S N 3.999 119.702 115.700 0.005 0.000 2.733 512 S HA 0.530 4.998 4.470 -0.004 0.000 0.294 512 S C -0.973 173.573 174.600 -0.091 0.000 1.149 512 S CA -0.640 57.541 58.200 -0.031 0.000 1.034 512 S CB 1.116 64.297 63.200 -0.032 0.000 1.015 512 S HN 0.783 nan 8.310 nan 0.000 0.486 513 E N 3.730 123.830 120.200 -0.167 0.000 2.113 513 E HA 0.305 4.652 4.350 -0.004 0.000 0.273 513 E C -0.693 175.568 176.600 -0.565 0.000 0.924 513 E CA -0.368 55.829 56.400 -0.338 0.000 0.764 513 E CB 1.748 31.219 29.700 -0.381 0.000 1.104 513 E HN 0.600 nan 8.360 nan 0.000 0.406 514 M N 3.406 122.758 119.600 -0.413 0.000 2.144 514 M HA 0.206 4.684 4.480 -0.004 0.000 0.356 514 M C -0.580 175.484 176.300 -0.394 0.000 1.217 514 M CA 0.010 55.105 55.300 -0.343 0.000 1.087 514 M CB 0.488 32.999 32.600 -0.148 0.000 1.609 514 M HN 0.627 nan 8.290 nan 0.000 0.467 515 Y N 2.822 123.125 120.300 0.004 0.000 2.301 515 Y HA 0.437 4.985 4.550 -0.003 0.000 0.295 515 Y C 1.044 176.945 175.900 0.002 0.000 1.126 515 Y CA 0.264 58.365 58.100 0.002 0.000 1.154 515 Y CB 0.193 38.654 38.460 0.002 0.000 1.075 515 Y HN 0.742 nan 8.280 nan 0.000 0.534 516 A N 0.000 122.905 122.820 0.142 0.000 2.254 516 A HA 0.000 4.318 4.320 -0.004 0.000 0.244 516 A CA 0.000 52.087 52.037 0.083 0.000 0.836 516 A CB 0.000 19.047 19.000 0.078 0.000 0.831 516 A HN 0.000 nan 8.150 nan 0.000 0.486