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 2wet_1_B DATA FIRST_RESID 1 DATA SEQUENCE MIRSVVIVGG GTAGWMTASY LKAAFDDRID VTLVESGNVR RIGVGEATFS DATA SEQUENCE TVRHFFDYLG LDEREWLPRC AGGYKLGIRF ENWSEPGEYF YHPFERLRVV DATA SEQUENCE DGFNMAEWWL AVGXXXXSFS EACYLTHRLC EAKRAPRMLD GSLFAXXXXX DATA SEQUENCE XLGRSTLAEQ RAQFPYAYHF DADEVARYLS EYAIARGVRH VVDDVQHVGQ DATA SEQUENCE DERGWISGVH TKQHGEISGD LFVDCTGFRG LLINQTLGGR FQSFSDVLPN DATA SEQUENCE NRAVALRVPR ENDEDMRPYT TATAMSAGWM WTIPLFKRDG NGYVYSDEFI DATA SEQUENCE SPEEAERELR STVAPGRDDL EANHIQMRIG RNERTWINNC VAVGLSAAFV DATA SEQUENCE EPLESTGIFF IQHAIEQLVK HFPGERWDPV LISAYNERMA HMVDGVKEFL DATA SEQUENCE VLHYKGAQRE DTPYWKAAKT RAMPDGLARK LELSASHLLD EQTIYPYYHG DATA SEQUENCE FETYSWITMN LGLGIVPERP RPALLHMDPA PALAEFERLR REGDELIAAL DATA SEQUENCE PSCYEYLASI Q 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 0.000 176.282 176.300 -0.031 0.000 1.140 1 M CA 0.000 55.270 55.300 -0.050 0.000 0.988 1 M CB 0.000 32.571 32.600 -0.048 0.000 1.302 2 I N 1.071 121.611 120.570 -0.050 0.000 2.519 2 I HA 0.444 4.614 4.170 -0.000 0.000 0.287 2 I C 0.442 176.587 176.117 0.047 0.000 1.047 2 I CA -0.099 61.198 61.300 -0.004 0.000 1.381 2 I CB 1.287 39.234 38.000 -0.088 0.000 1.417 2 I HN 0.945 nan 8.210 nan 0.000 0.540 3 R N 3.085 123.619 120.500 0.055 0.000 2.195 3 R HA 0.192 4.532 4.340 -0.000 0.000 0.197 3 R C 0.128 176.465 176.300 0.061 0.000 0.990 3 R CA 0.754 56.882 56.100 0.047 0.000 1.048 3 R CB 0.375 30.692 30.300 0.030 0.000 0.997 3 R HN 0.913 nan 8.270 nan 0.000 0.502 4 S N -0.322 115.411 115.700 0.055 0.000 2.541 4 S HA 0.552 5.022 4.470 -0.000 0.000 0.280 4 S C -0.833 173.748 174.600 -0.032 0.000 1.112 4 S CA -0.780 57.430 58.200 0.016 0.000 0.925 4 S CB 2.547 65.738 63.200 -0.016 0.000 1.067 4 S HN -0.109 nan 8.310 nan 0.000 0.479 5 V N 2.647 122.533 119.914 -0.046 0.000 2.540 5 V HA 0.623 4.743 4.120 -0.000 0.000 0.302 5 V C -0.731 175.250 176.094 -0.189 0.000 1.035 5 V CA -0.685 61.550 62.300 -0.108 0.000 0.873 5 V CB 1.833 33.668 31.823 0.021 0.000 0.992 5 V HN 0.864 nan 8.190 nan 0.000 0.428 6 V N 6.040 125.755 119.914 -0.332 0.000 2.409 6 V HA 0.517 4.637 4.120 -0.000 0.000 0.291 6 V C -0.296 175.723 176.094 -0.124 0.000 1.020 6 V CA -0.379 61.781 62.300 -0.233 0.000 0.848 6 V CB 1.639 33.309 31.823 -0.256 0.000 0.990 6 V HN 0.690 nan 8.190 nan 0.000 0.430 7 I N 5.065 125.567 120.570 -0.113 0.000 2.336 7 I HA 0.423 4.593 4.170 -0.000 0.000 0.292 7 I C -0.361 175.693 176.117 -0.105 0.000 0.991 7 I CA -0.638 60.588 61.300 -0.123 0.000 1.227 7 I CB 1.865 39.742 38.000 -0.205 0.000 1.366 7 I HN 0.280 nan 8.210 nan 0.000 0.466 8 V N 5.644 125.518 119.914 -0.067 0.000 2.311 8 V HA 0.844 4.964 4.120 -0.000 0.000 0.275 8 V C 0.363 176.402 176.094 -0.091 0.000 1.022 8 V CA -0.448 61.818 62.300 -0.057 0.000 0.830 8 V CB 0.544 32.359 31.823 -0.014 0.000 1.012 8 V HN 1.060 nan 8.190 nan 0.000 0.452 9 G N 3.177 111.909 108.800 -0.113 0.000 2.841 9 G HA2 0.392 4.352 3.960 -0.000 0.000 0.684 9 G HA3 0.392 4.352 3.960 -0.000 0.000 0.684 9 G C -0.235 174.547 174.900 -0.197 0.000 1.273 9 G CA -0.436 44.596 45.100 -0.113 0.000 0.811 9 G HN 1.219 nan 8.290 nan 0.000 0.631 10 G N 0.505 109.228 108.800 -0.129 0.000 4.566 10 G HA2 0.774 4.734 3.960 -0.000 0.000 0.307 10 G HA3 0.774 4.734 3.960 -0.000 0.000 0.307 10 G C 0.493 175.457 174.900 0.106 0.000 1.383 10 G CA 0.788 45.767 45.100 -0.202 0.000 0.910 10 G HN 1.428 nan 8.290 nan 0.000 0.538 11 G N 0.028 108.857 108.800 0.048 0.000 3.135 11 G HA2 0.455 4.415 3.960 -0.000 0.000 0.159 11 G HA3 0.455 4.415 3.960 -0.000 0.000 0.159 11 G C 1.106 176.092 174.900 0.144 0.000 1.244 11 G CA 0.446 45.624 45.100 0.129 0.000 0.965 11 G HN 0.108 nan 8.290 nan 0.000 0.599 12 T N 1.254 115.849 114.554 0.068 0.000 2.720 12 T HA -0.081 4.269 4.350 -0.000 0.000 0.268 12 T C 2.659 177.345 174.700 -0.022 0.000 1.037 12 T CA 2.104 64.222 62.100 0.030 0.000 1.144 12 T CB -0.473 68.404 68.868 0.015 0.000 0.864 12 T HN 0.570 nan 8.240 nan 0.000 0.444 13 A N 1.456 124.244 122.820 -0.054 0.000 1.873 13 A HA 0.173 4.493 4.320 -0.000 0.000 0.215 13 A C 2.644 180.163 177.584 -0.109 0.000 1.186 13 A CA 1.782 53.764 52.037 -0.092 0.000 0.616 13 A CB -1.387 17.558 19.000 -0.092 0.000 0.823 13 A HN 0.506 nan 8.150 nan 0.000 0.442 14 G N -1.532 107.180 108.800 -0.147 0.000 2.433 14 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.216 14 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.216 14 G C 1.415 176.127 174.900 -0.314 0.000 1.186 14 G CA 0.900 45.823 45.100 -0.295 0.000 0.779 14 G HN 0.659 nan 8.290 nan 0.000 0.543 15 W N 0.212 121.488 121.300 -0.041 0.000 2.467 15 W HA 0.257 4.917 4.660 -0.000 0.000 0.275 15 W C 2.837 179.358 176.519 0.004 0.000 1.239 15 W CA 0.042 57.369 57.345 -0.029 0.000 1.266 15 W CB -0.070 29.363 29.460 -0.045 0.000 1.112 15 W HN 0.103 nan 8.180 nan 0.000 0.576 16 M N -0.400 119.290 119.600 0.149 0.000 2.117 16 M HA -0.182 4.298 4.480 -0.000 0.000 0.262 16 M C 1.963 178.368 176.300 0.175 0.000 1.065 16 M CA 1.869 57.237 55.300 0.114 0.000 1.114 16 M CB -0.709 31.735 32.600 -0.260 0.000 1.361 16 M HN -0.147 nan 8.290 nan 0.000 0.408 17 T N 0.516 115.095 114.554 0.041 0.000 2.737 17 T HA -0.083 4.267 4.350 -0.000 0.000 0.265 17 T C 1.867 176.608 174.700 0.068 0.000 1.038 17 T CA 1.493 63.608 62.100 0.026 0.000 1.144 17 T CB -0.400 68.431 68.868 -0.061 0.000 0.866 17 T HN 0.482 nan 8.240 nan 0.000 0.434 18 A N 1.615 124.461 122.820 0.044 0.000 1.877 18 A HA -0.098 4.222 4.320 -0.000 0.000 0.216 18 A C 2.623 180.306 177.584 0.166 0.000 1.186 18 A CA 1.979 54.055 52.037 0.066 0.000 0.620 18 A CB -0.967 18.048 19.000 0.026 0.000 0.822 18 A HN 0.441 nan 8.150 nan 0.000 0.443 19 S N -1.552 114.303 115.700 0.259 0.000 2.353 19 S HA -0.214 4.256 4.470 -0.000 0.000 0.222 19 S C 1.884 176.592 174.600 0.180 0.000 1.035 19 S CA 1.689 60.057 58.200 0.280 0.000 1.025 19 S CB -0.652 62.656 63.200 0.180 0.000 0.902 19 S HN 0.648 nan 8.310 nan 0.000 0.440 20 Y N 1.890 122.208 120.300 0.030 0.000 2.274 20 Y HA -0.041 4.508 4.550 -0.000 0.000 0.290 20 Y C 1.933 177.743 175.900 -0.150 0.000 1.145 20 Y CA 1.101 59.160 58.100 -0.069 0.000 1.203 20 Y CB -0.267 38.180 38.460 -0.022 0.000 0.984 20 Y HN 0.153 nan 8.280 nan 0.000 0.533 21 L N -0.643 120.550 121.223 -0.049 0.000 2.109 21 L HA -0.177 4.163 4.340 -0.000 0.000 0.207 21 L C 2.430 179.156 176.870 -0.241 0.000 1.086 21 L CA 0.981 55.663 54.840 -0.263 0.000 0.760 21 L CB -0.433 41.553 42.059 -0.122 0.000 0.910 21 L HN -0.008 nan 8.230 nan 0.000 0.437 22 K N 0.337 120.688 120.400 -0.081 0.000 2.097 22 K HA -0.041 4.279 4.320 -0.000 0.000 0.205 22 K C 2.175 178.725 176.600 -0.083 0.000 1.050 22 K CA 1.382 57.639 56.287 -0.050 0.000 0.938 22 K CB -0.339 32.156 32.500 -0.008 0.000 0.718 22 K HN 0.241 nan 8.250 nan 0.000 0.442 23 A N 1.227 123.999 122.820 -0.080 0.000 1.898 23 A HA -0.075 4.245 4.320 -0.000 0.000 0.216 23 A C 2.373 179.842 177.584 -0.191 0.000 1.181 23 A CA 2.019 53.988 52.037 -0.113 0.000 0.620 23 A CB -0.522 18.426 19.000 -0.087 0.000 0.819 23 A HN 0.289 nan 8.150 nan 0.000 0.442 24 A N -1.318 121.321 122.820 -0.301 0.000 1.873 24 A HA 0.136 4.456 4.320 -0.000 0.000 0.215 24 A C 1.600 179.076 177.584 -0.180 0.000 1.186 24 A CA 1.625 53.432 52.037 -0.383 0.000 0.616 24 A CB -0.456 17.982 19.000 -0.937 0.000 0.823 24 A HN 0.488 nan 8.150 nan 0.000 0.442 25 F N -1.484 118.384 119.950 -0.137 0.000 2.706 25 F HA 0.256 4.783 4.527 -0.000 0.000 0.308 25 F C 0.920 176.658 175.800 -0.104 0.000 1.095 25 F CA -0.772 57.145 58.000 -0.138 0.000 1.244 25 F CB -0.655 38.225 39.000 -0.199 0.000 1.063 25 F HN 0.352 nan 8.300 nan 0.000 0.582 26 D N 1.438 121.867 120.400 0.049 0.000 3.740 26 D HA -0.340 4.300 4.640 -0.000 0.000 0.147 26 D C 0.911 177.220 176.300 0.016 0.000 0.885 26 D CA 2.411 56.411 54.000 0.001 0.000 1.051 26 D CB -0.708 40.081 40.800 -0.020 0.000 0.480 26 D HN 0.294 nan 8.370 nan 0.000 0.469 27 D N -0.238 120.163 120.400 0.002 0.000 2.319 27 D HA 0.024 4.664 4.640 -0.000 0.000 0.230 27 D C 0.981 177.283 176.300 0.003 0.000 1.094 27 D CA 0.240 54.239 54.000 -0.000 0.000 0.856 27 D CB -0.380 40.412 40.800 -0.013 0.000 0.915 27 D HN 0.408 nan 8.370 nan 0.000 0.517 28 R N -0.274 120.234 120.500 0.012 0.000 2.426 28 R HA 0.361 4.701 4.340 -0.000 0.000 0.263 28 R C -0.372 175.912 176.300 -0.025 0.000 0.961 28 R CA -0.256 55.829 56.100 -0.025 0.000 1.086 28 R CB 0.236 30.495 30.300 -0.067 0.000 1.186 28 R HN 0.137 nan 8.270 nan 0.000 0.537 29 I N 0.167 120.761 120.570 0.040 0.000 2.722 29 I HA 0.149 4.318 4.170 -0.000 0.000 0.292 29 I C -1.731 174.420 176.117 0.058 0.000 1.267 29 I CA -0.729 60.613 61.300 0.071 0.000 1.036 29 I CB 2.262 40.368 38.000 0.177 0.000 1.281 29 I HN -0.128 nan 8.210 nan 0.000 0.423 30 D N 6.562 126.990 120.400 0.046 0.000 2.198 30 D HA 0.536 5.176 4.640 -0.000 0.000 0.245 30 D C -0.833 175.480 176.300 0.022 0.000 1.079 30 D CA 0.051 54.067 54.000 0.027 0.000 0.854 30 D CB 2.168 42.978 40.800 0.016 0.000 1.148 30 D HN 0.165 nan 8.370 nan 0.000 0.456 31 V N 2.199 122.121 119.914 0.013 0.000 2.588 31 V HA 0.452 4.572 4.120 -0.000 0.000 0.304 31 V C 0.105 176.192 176.094 -0.013 0.000 1.042 31 V CA -0.567 61.731 62.300 -0.003 0.000 0.877 31 V CB 2.187 34.014 31.823 0.006 0.000 0.996 31 V HN 0.490 nan 8.190 nan 0.000 0.425 32 T N 5.776 120.304 114.554 -0.043 0.000 2.841 32 T HA 0.656 5.006 4.350 -0.000 0.000 0.283 32 T C -0.824 173.823 174.700 -0.087 0.000 1.000 32 T CA -0.334 61.741 62.100 -0.040 0.000 0.977 32 T CB 1.669 70.515 68.868 -0.037 0.000 0.979 32 T HN 0.549 nan 8.240 nan 0.000 0.446 33 L N 3.857 125.022 121.223 -0.097 0.000 2.349 33 L HA 0.740 5.080 4.340 -0.000 0.000 0.278 33 L C -1.248 175.573 176.870 -0.083 0.000 0.996 33 L CA -0.793 53.929 54.840 -0.197 0.000 0.825 33 L CB 1.064 42.801 42.059 -0.537 0.000 1.243 33 L HN 0.421 nan 8.230 nan 0.000 0.412 34 V N 4.360 124.220 119.914 -0.090 0.000 2.370 34 V HA 0.501 4.621 4.120 -0.000 0.000 0.283 34 V C -0.350 175.715 176.094 -0.048 0.000 1.023 34 V CA -0.503 61.762 62.300 -0.058 0.000 0.857 34 V CB 1.253 33.051 31.823 -0.042 0.000 0.985 34 V HN 0.856 nan 8.190 nan 0.000 0.443 35 E N 2.602 122.799 120.200 -0.006 0.000 2.317 35 E HA 0.628 4.978 4.350 -0.000 0.000 0.270 35 E C -0.742 175.875 176.600 0.028 0.000 0.885 35 E CA -0.700 55.715 56.400 0.025 0.000 0.760 35 E CB 2.041 31.803 29.700 0.104 0.000 1.227 35 E HN 0.427 nan 8.360 nan 0.000 0.434 36 S N 0.785 116.503 115.700 0.030 0.000 2.585 36 S HA 0.301 4.771 4.470 -0.000 0.000 0.273 36 S C 0.990 175.618 174.600 0.046 0.000 1.339 36 S CA 0.243 58.462 58.200 0.031 0.000 1.028 36 S CB 0.761 63.977 63.200 0.027 0.000 0.906 36 S HN 0.685 nan 8.310 nan 0.000 0.528 37 G N 2.809 111.632 108.800 0.039 0.000 2.492 37 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.214 37 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.214 37 G C 0.989 175.916 174.900 0.044 0.000 1.147 37 G CA 0.544 45.671 45.100 0.044 0.000 0.809 37 G HN 0.768 nan 8.290 nan 0.000 0.533 38 N N 0.498 119.221 118.700 0.038 0.000 2.324 38 N HA 0.019 4.759 4.740 -0.000 0.000 0.192 38 N C 0.630 176.162 175.510 0.036 0.000 1.046 38 N CA 0.045 53.117 53.050 0.036 0.000 0.898 38 N CB -0.801 37.704 38.487 0.031 0.000 1.079 38 N HN -0.022 nan 8.380 nan 0.000 0.456 39 V N 2.434 122.367 119.914 0.031 0.000 2.613 39 V HA -0.104 4.015 4.120 -0.000 0.000 0.289 39 V C 0.749 176.861 176.094 0.031 0.000 0.985 39 V CA 0.271 62.587 62.300 0.027 0.000 1.181 39 V CB -1.175 30.660 31.823 0.019 0.000 0.883 39 V HN 0.306 nan 8.190 nan 0.000 0.465 40 R N 5.457 125.978 120.500 0.034 0.000 2.543 40 R HA 0.248 4.588 4.340 -0.000 0.000 0.277 40 R C 0.468 176.784 176.300 0.026 0.000 1.074 40 R CA -0.027 56.096 56.100 0.038 0.000 1.076 40 R CB 0.290 30.616 30.300 0.044 0.000 0.993 40 R HN 0.674 nan 8.270 nan 0.000 0.459 41 R N 3.021 123.539 120.500 0.030 0.000 2.827 41 R HA -0.024 4.316 4.340 -0.000 0.000 0.269 41 R C 1.435 177.735 176.300 0.001 0.000 1.048 41 R CA -0.244 55.861 56.100 0.009 0.000 1.173 41 R CB 0.031 30.350 30.300 0.032 0.000 1.070 41 R HN 0.599 nan 8.270 nan 0.000 0.498 42 I N 1.125 121.668 120.570 -0.045 0.000 2.236 42 I HA -0.247 3.923 4.170 -0.000 0.000 0.249 42 I C 1.609 177.744 176.117 0.029 0.000 1.102 42 I CA 2.760 64.035 61.300 -0.042 0.000 1.365 42 I CB -0.513 37.391 38.000 -0.161 0.000 1.051 42 I HN 1.023 nan 8.210 nan 0.000 0.420 43 G N -0.923 107.904 108.800 0.046 0.000 2.213 43 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.236 43 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.236 43 G C 0.434 175.403 174.900 0.116 0.000 0.991 43 G CA 0.337 45.489 45.100 0.086 0.000 0.629 43 G HN 0.961 nan 8.290 nan 0.000 0.517 44 V N -3.248 116.725 119.914 0.099 0.000 3.074 44 V HA 1.016 5.136 4.120 -0.000 0.000 0.314 44 V C 0.636 176.756 176.094 0.044 0.000 1.117 44 V CA -0.418 61.942 62.300 0.101 0.000 1.014 44 V CB 1.668 33.580 31.823 0.148 0.000 1.057 44 V HN 2.070 nan 8.190 nan 0.000 0.438 45 G N 1.436 110.244 108.800 0.013 0.000 2.465 45 G HA2 0.013 3.973 3.960 -0.000 0.000 0.230 45 G HA3 0.013 3.973 3.960 -0.000 0.000 0.230 45 G C -0.224 174.739 174.900 0.105 0.000 1.324 45 G CA 0.136 45.263 45.100 0.046 0.000 0.878 45 G HN 1.087 nan 8.290 nan 0.000 0.497 46 E N -0.714 119.487 120.200 0.001 0.000 2.562 46 E HA 0.580 4.930 4.350 -0.000 0.000 0.214 46 E C 0.889 177.406 176.600 -0.139 0.000 0.979 46 E CA 0.284 56.685 56.400 0.002 0.000 1.002 46 E CB 1.449 31.216 29.700 0.113 0.000 1.048 46 E HN 0.822 nan 8.360 nan 0.000 0.488 47 A N 1.439 124.207 122.820 -0.086 0.000 2.384 47 A HA 0.701 5.021 4.320 -0.000 0.000 0.312 47 A C -0.057 177.512 177.584 -0.025 0.000 1.113 47 A CA -0.364 51.668 52.037 -0.008 0.000 0.779 47 A CB 1.574 20.689 19.000 0.191 0.000 1.307 47 A HN 0.147 nan 8.150 nan 0.000 0.436 48 T N -2.080 112.503 114.554 0.049 0.000 2.804 48 T HA 0.769 5.118 4.350 -0.000 0.000 0.290 48 T C -0.771 174.168 174.700 0.397 0.000 1.099 48 T CA -0.566 61.640 62.100 0.176 0.000 1.011 48 T CB 0.637 69.625 68.868 0.200 0.000 1.291 48 T HN 0.295 nan 8.240 nan 0.000 0.523 49 F N 1.530 121.539 119.950 0.099 0.000 2.370 49 F HA 0.455 4.982 4.527 -0.000 0.000 0.324 49 F C 2.278 177.979 175.800 -0.165 0.000 1.116 49 F CA -0.984 57.048 58.000 0.054 0.000 1.123 49 F CB 1.406 40.405 39.000 -0.001 0.000 1.238 49 F HN 0.878 nan 8.300 nan 0.000 0.536 50 S N -0.768 114.723 115.700 -0.348 0.000 2.399 50 S HA -0.184 4.286 4.470 -0.000 0.000 0.231 50 S C 1.677 176.245 174.600 -0.053 0.000 1.022 50 S CA 1.506 59.449 58.200 -0.428 0.000 0.983 50 S CB -1.206 61.714 63.200 -0.467 0.000 0.803 50 S HN 0.776 nan 8.310 nan 0.000 0.480 51 T N -0.701 113.957 114.554 0.174 0.000 3.113 51 T HA 0.126 4.476 4.350 -0.000 0.000 0.263 51 T C 1.526 176.442 174.700 0.360 0.000 1.143 51 T CA 0.635 62.944 62.100 0.349 0.000 1.090 51 T CB -0.627 68.547 68.868 0.509 0.000 0.922 51 T HN 0.225 nan 8.240 nan 0.000 0.521 52 V N 2.207 122.303 119.914 0.303 0.000 2.688 52 V HA -0.213 3.906 4.120 -0.000 0.000 0.256 52 V C 2.859 179.180 176.094 0.380 0.000 1.084 52 V CA 2.139 64.630 62.300 0.319 0.000 1.103 52 V CB -0.828 31.238 31.823 0.405 0.000 0.688 52 V HN 0.652 nan 8.190 nan 0.000 0.480 53 R N -0.728 119.904 120.500 0.220 0.000 2.119 53 R HA -0.252 4.088 4.340 -0.000 0.000 0.246 53 R C 2.149 178.455 176.300 0.011 0.000 1.146 53 R CA 2.411 58.531 56.100 0.033 0.000 0.962 53 R CB -0.628 29.338 30.300 -0.555 0.000 0.863 53 R HN 0.704 nan 8.270 nan 0.000 0.442 54 H N -0.898 118.256 119.070 0.140 0.000 2.423 54 H HA -0.140 4.416 4.556 -0.000 0.000 0.297 54 H C 1.887 177.342 175.328 0.211 0.000 1.075 54 H CA 1.582 57.723 56.048 0.154 0.000 1.342 54 H CB -0.350 29.503 29.762 0.152 0.000 1.395 54 H HN 0.306 nan 8.280 nan 0.000 0.530 55 F N 1.145 121.175 119.950 0.133 0.000 2.098 55 F HA -0.159 4.368 4.527 -0.000 0.000 0.294 55 F C 2.058 177.811 175.800 -0.079 0.000 1.107 55 F CA 0.978 58.968 58.000 -0.017 0.000 1.234 55 F CB -0.594 38.237 39.000 -0.282 0.000 1.002 55 F HN -0.140 nan 8.300 nan 0.000 0.472 56 F N 1.331 121.319 119.950 0.065 0.000 2.095 56 F HA -0.229 4.298 4.527 -0.000 0.000 0.298 56 F C 2.402 178.144 175.800 -0.097 0.000 1.104 56 F CA 1.804 59.723 58.000 -0.135 0.000 1.232 56 F CB -1.138 37.826 39.000 -0.060 0.000 0.987 56 F HN 0.014 nan 8.300 nan 0.000 0.475 57 D N -1.060 119.441 120.400 0.169 0.000 2.123 57 D HA -0.252 4.388 4.640 -0.000 0.000 0.196 57 D C 2.102 178.425 176.300 0.038 0.000 0.992 57 D CA 1.343 55.398 54.000 0.092 0.000 0.833 57 D CB -0.908 39.935 40.800 0.072 0.000 0.954 57 D HN 0.314 nan 8.370 nan 0.000 0.455 58 Y N 0.706 120.965 120.300 -0.069 0.000 2.193 58 Y HA -0.223 4.327 4.550 -0.000 0.000 0.285 58 Y C 2.045 177.798 175.900 -0.245 0.000 1.166 58 Y CA 1.057 59.070 58.100 -0.145 0.000 1.181 58 Y CB -0.051 38.344 38.460 -0.107 0.000 0.976 58 Y HN -0.084 nan 8.280 nan 0.000 0.520 59 L N -0.454 120.658 121.223 -0.186 0.000 2.395 59 L HA 0.130 4.470 4.340 -0.000 0.000 0.218 59 L C 1.808 178.639 176.870 -0.065 0.000 1.130 59 L CA 1.505 56.193 54.840 -0.254 0.000 0.826 59 L CB -0.961 40.714 42.059 -0.640 0.000 0.941 59 L HN 0.399 nan 8.230 nan 0.000 0.451 60 G N -0.485 108.288 108.800 -0.044 0.000 2.165 60 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.226 60 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.226 60 G C 0.063 175.017 174.900 0.090 0.000 1.035 60 G CA -0.081 45.032 45.100 0.022 0.000 0.744 60 G HN 0.210 nan 8.290 nan 0.000 0.501 61 L N 0.632 121.921 121.223 0.111 0.000 2.295 61 L HA 0.499 4.839 4.340 -0.000 0.000 0.285 61 L C -0.068 176.953 176.870 0.252 0.000 1.035 61 L CA -0.834 54.127 54.840 0.202 0.000 0.806 61 L CB 1.522 43.700 42.059 0.197 0.000 1.214 61 L HN 0.143 nan 8.230 nan 0.000 0.426 62 D N 1.856 122.400 120.400 0.240 0.000 2.175 62 D HA 0.067 4.707 4.640 -0.000 0.000 0.248 62 D C 0.777 177.140 176.300 0.104 0.000 1.047 62 D CA -0.253 53.854 54.000 0.178 0.000 0.883 62 D CB 1.971 42.832 40.800 0.102 0.000 1.180 62 D HN 0.727 nan 8.370 nan 0.000 0.438 63 E N 3.308 123.504 120.200 -0.007 0.000 2.085 63 E HA -0.224 4.126 4.350 -0.000 0.000 0.194 63 E C 1.458 177.683 176.600 -0.624 0.000 0.994 63 E CA 0.765 56.840 56.400 -0.542 0.000 0.801 63 E CB -0.054 29.521 29.700 -0.209 0.000 0.743 63 E HN 0.372 nan 8.360 nan 0.000 0.453 64 R N 0.542 120.894 120.500 -0.247 0.000 2.226 64 R HA -0.174 4.166 4.340 -0.000 0.000 0.246 64 R C 2.214 178.359 176.300 -0.258 0.000 1.161 64 R CA 1.744 57.716 56.100 -0.214 0.000 0.997 64 R CB -0.172 30.077 30.300 -0.084 0.000 0.870 64 R HN 0.468 nan 8.270 nan 0.000 0.465 65 E N -0.304 119.756 120.200 -0.234 0.000 2.162 65 E HA -0.078 4.272 4.350 -0.000 0.000 0.193 65 E C 1.830 178.293 176.600 -0.229 0.000 0.953 65 E CA 0.478 56.800 56.400 -0.131 0.000 0.849 65 E CB 0.048 29.770 29.700 0.038 0.000 0.810 65 E HN 0.448 nan 8.360 nan 0.000 0.470 66 W N 0.337 121.378 121.300 -0.432 0.000 2.574 66 W HA 0.043 4.703 4.660 0.000 0.000 0.282 66 W C 1.540 177.693 176.519 -0.610 0.000 1.197 66 W CA -0.222 56.645 57.345 -0.797 0.000 1.376 66 W CB -0.868 27.954 29.460 -1.062 0.000 1.091 66 W HN 0.042 nan 8.180 nan 0.000 0.569 67 L N 3.005 123.313 121.223 -1.524 0.000 2.021 67 L HA -0.146 4.194 4.340 -0.000 0.000 0.215 67 L C -0.599 175.896 176.870 -0.625 0.000 1.074 67 L CA 2.547 56.586 54.840 -1.334 0.000 0.760 67 L CB -1.965 39.200 42.059 -1.491 0.000 0.889 67 L HN -0.228 nan 8.230 nan 0.000 0.433 68 P HA -0.125 nan 4.420 nan 0.000 0.219 68 P C 1.524 178.658 177.300 -0.277 0.000 1.150 68 P CA 1.274 64.113 63.100 -0.435 0.000 0.814 68 P CB -0.084 31.368 31.700 -0.413 0.000 0.787 69 R N -1.028 119.323 120.500 -0.248 0.000 2.148 69 R HA -0.035 4.305 4.340 -0.000 0.000 0.227 69 R C 0.593 176.848 176.300 -0.074 0.000 1.103 69 R CA 1.040 57.059 56.100 -0.135 0.000 0.983 69 R CB -0.445 29.779 30.300 -0.125 0.000 0.874 69 R HN 0.187 nan 8.270 nan 0.000 0.451 70 C N 0.422 119.671 119.300 -0.086 0.000 2.492 70 C HA 0.418 4.878 4.460 -0.000 0.000 0.317 70 C C 0.869 175.911 174.990 0.087 0.000 1.347 70 C CA -0.253 58.781 59.018 0.026 0.000 1.759 70 C CB -0.675 27.113 27.740 0.080 0.000 2.127 70 C HN 0.538 nan 8.230 nan 0.000 0.579 71 A N 0.387 123.229 122.820 0.037 0.000 2.799 71 A HA -0.063 4.256 4.320 -0.000 0.000 0.287 71 A C 0.849 178.522 177.584 0.148 0.000 1.484 71 A CA 0.803 52.912 52.037 0.120 0.000 0.813 71 A CB -1.772 17.332 19.000 0.174 0.000 1.009 71 A HN 0.897 nan 8.150 nan 0.000 0.545 72 G N -1.625 107.186 108.800 0.018 0.000 2.539 72 G HA2 0.669 4.629 3.960 -0.000 0.000 0.258 72 G HA3 0.669 4.629 3.960 -0.000 0.000 0.258 72 G C 0.418 175.327 174.900 0.015 0.000 1.202 72 G CA 0.294 45.417 45.100 0.038 0.000 0.851 72 G HN 1.604 nan 8.290 nan 0.000 0.556 73 G N -1.472 107.378 108.800 0.082 0.000 3.022 73 G HA2 0.589 4.549 3.960 -0.000 0.000 0.284 73 G HA3 0.589 4.549 3.960 -0.000 0.000 0.284 73 G C -1.772 173.108 174.900 -0.034 0.000 1.375 73 G CA -0.882 44.254 45.100 0.059 0.000 0.902 73 G HN 0.488 nan 8.290 nan 0.000 0.538 74 Y N -0.231 120.177 120.300 0.180 0.000 2.420 74 Y HA 0.624 5.174 4.550 -0.000 0.000 0.334 74 Y C 0.498 176.392 175.900 -0.010 0.000 1.094 74 Y CA -0.553 57.555 58.100 0.013 0.000 1.126 74 Y CB 2.349 40.729 38.460 -0.133 0.000 1.217 74 Y HN 0.284 nan 8.280 nan 0.000 0.462 75 K N 3.478 123.925 120.400 0.078 0.000 2.545 75 K HA 0.403 4.723 4.320 -0.000 0.000 0.252 75 K C -0.770 176.044 176.600 0.357 0.000 0.948 75 K CA -0.284 56.061 56.287 0.097 0.000 0.827 75 K CB 0.862 33.222 32.500 -0.232 0.000 1.128 75 K HN 0.834 nan 8.250 nan 0.000 0.429 76 L N 2.326 123.765 121.223 0.360 0.000 2.616 76 L HA 0.357 4.697 4.340 -0.000 0.000 0.229 76 L C 0.891 177.899 176.870 0.231 0.000 1.110 76 L CA 0.085 55.135 54.840 0.350 0.000 0.884 76 L CB 0.795 42.928 42.059 0.124 0.000 1.115 76 L HN 0.912 nan 8.230 nan 0.000 0.481 77 G N 0.108 108.989 108.800 0.136 0.000 2.344 77 G HA2 0.299 4.259 3.960 -0.000 0.000 0.282 77 G HA3 0.299 4.259 3.960 -0.000 0.000 0.282 77 G C -1.767 173.131 174.900 -0.004 0.000 1.281 77 G CA -0.747 44.225 45.100 -0.212 0.000 0.877 77 G HN -0.116 nan 8.290 nan 0.000 0.494 78 I N 0.490 121.009 120.570 -0.085 0.000 2.509 78 I HA 0.526 4.696 4.170 -0.000 0.000 0.293 78 I C 0.281 176.274 176.117 -0.206 0.000 1.020 78 I CA -0.768 60.457 61.300 -0.126 0.000 1.088 78 I CB 2.214 40.005 38.000 -0.348 0.000 1.267 78 I HN 0.465 nan 8.210 nan 0.000 0.430 79 R N 5.470 125.799 120.500 -0.285 0.000 2.221 79 R HA 0.436 4.776 4.340 -0.000 0.000 0.327 79 R C -1.625 174.326 176.300 -0.583 0.000 1.033 79 R CA -0.363 55.396 56.100 -0.568 0.000 0.887 79 R CB 0.569 30.500 30.300 -0.614 0.000 1.057 79 R HN 0.394 nan 8.270 nan 0.000 0.455 80 F N 3.325 122.876 119.950 -0.666 0.000 2.334 80 F HA 0.278 4.805 4.527 -0.000 0.000 0.367 80 F C 0.248 175.961 175.800 -0.145 0.000 1.115 80 F CA -0.320 57.373 58.000 -0.512 0.000 1.116 80 F CB 1.422 39.763 39.000 -1.099 0.000 1.230 80 F HN 0.392 nan 8.300 nan 0.000 0.484 81 E N 2.813 123.207 120.200 0.323 0.000 2.166 81 E HA 0.265 4.615 4.350 -0.000 0.000 0.275 81 E C -0.130 176.630 176.600 0.268 0.000 0.941 81 E CA -0.511 56.045 56.400 0.260 0.000 0.784 81 E CB 0.934 30.700 29.700 0.110 0.000 1.115 81 E HN 0.539 nan 8.360 nan 0.000 0.399 82 N N 1.434 120.239 118.700 0.175 0.000 2.828 82 N HA -0.193 4.547 4.740 -0.000 0.000 0.248 82 N C -0.023 175.398 175.510 -0.149 0.000 1.044 82 N CA 0.888 53.933 53.050 -0.008 0.000 0.851 82 N CB -1.224 37.202 38.487 -0.102 0.000 1.136 82 N HN 0.652 nan 8.380 nan 0.000 0.572 83 W N 0.719 121.968 121.300 -0.086 0.000 2.425 83 W HA 0.087 4.747 4.660 -0.000 0.000 0.277 83 W C 2.023 178.390 176.519 -0.253 0.000 1.231 83 W CA 1.245 58.463 57.345 -0.211 0.000 1.248 83 W CB 0.017 29.432 29.460 -0.074 0.000 1.117 83 W HN 0.057 nan 8.180 nan 0.000 0.568 84 S N -1.733 114.005 115.700 0.063 0.000 3.385 84 S HA 0.083 4.553 4.470 -0.000 0.000 0.176 84 S C -0.033 174.549 174.600 -0.029 0.000 0.851 84 S CA -0.557 57.640 58.200 -0.005 0.000 1.039 84 S CB -0.298 62.916 63.200 0.024 0.000 1.241 84 S HN -0.257 nan 8.310 nan 0.000 0.859 85 E N 3.080 123.282 120.200 0.002 0.000 2.384 85 E HA 0.235 4.584 4.350 -0.000 0.000 0.266 85 E C -2.563 174.036 176.600 -0.003 0.000 1.012 85 E CA -1.656 54.741 56.400 -0.005 0.000 0.901 85 E CB -0.101 29.601 29.700 0.004 0.000 0.967 85 E HN 0.145 nan 8.360 nan 0.000 0.435 86 P HA 0.074 nan 4.420 nan 0.000 0.271 86 P C 0.766 178.075 177.300 0.015 0.000 1.216 86 P CA 0.514 63.604 63.100 -0.017 0.000 0.771 86 P CB 0.657 32.341 31.700 -0.026 0.000 0.864 87 G N 1.433 110.254 108.800 0.035 0.000 2.245 87 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.264 87 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.264 87 G C 0.069 175.046 174.900 0.129 0.000 0.985 87 G CA -0.111 45.035 45.100 0.076 0.000 0.625 87 G HN 0.573 nan 8.290 nan 0.000 0.536 88 E N -0.198 120.060 120.200 0.097 0.000 2.277 88 E HA 0.610 4.960 4.350 -0.000 0.000 0.274 88 E C -0.128 176.577 176.600 0.175 0.000 1.022 88 E CA -0.470 55.968 56.400 0.063 0.000 0.853 88 E CB 0.922 30.635 29.700 0.023 0.000 1.086 88 E HN 0.625 nan 8.360 nan 0.000 0.397 89 Y N -0.171 120.179 120.300 0.084 0.000 2.677 89 Y HA 0.725 5.275 4.550 -0.000 0.000 0.334 89 Y C -1.014 174.956 175.900 0.116 0.000 1.154 89 Y CA -1.551 56.559 58.100 0.017 0.000 1.070 89 Y CB 1.070 39.424 38.460 -0.177 0.000 1.294 89 Y HN 0.493 nan 8.280 nan 0.000 0.475 90 F N -1.559 118.428 119.950 0.062 0.000 2.713 90 F HA 0.735 5.262 4.527 -0.000 0.000 0.311 90 F C -2.411 173.344 175.800 -0.074 0.000 1.141 90 F CA -1.978 56.047 58.000 0.041 0.000 0.939 90 F CB 1.059 40.106 39.000 0.079 0.000 1.325 90 F HN 0.466 nan 8.300 nan 0.000 0.453 91 Y N 0.765 121.214 120.300 0.248 0.000 2.361 91 Y HA 0.375 4.925 4.550 -0.000 0.000 0.332 91 Y C -0.135 175.917 175.900 0.254 0.000 1.101 91 Y CA -0.624 57.501 58.100 0.041 0.000 1.137 91 Y CB 1.084 39.498 38.460 -0.076 0.000 1.207 91 Y HN 0.783 nan 8.280 nan 0.000 0.463 92 H N 5.236 124.426 119.070 0.201 0.000 2.597 92 H HA 0.360 4.915 4.556 -0.000 0.000 0.303 92 H C -2.807 172.474 175.328 -0.078 0.000 1.057 92 H CA -2.446 53.689 56.048 0.146 0.000 1.261 92 H CB 1.167 31.078 29.762 0.248 0.000 1.397 92 H HN 0.412 nan 8.280 nan 0.000 0.461 93 P HA 0.163 nan 4.420 nan 0.000 0.287 93 P C -0.902 176.184 177.300 -0.357 0.000 1.290 93 P CA -0.893 62.001 63.100 -0.344 0.000 0.889 93 P CB 1.509 32.947 31.700 -0.438 0.000 1.190 94 F N 0.552 120.478 119.950 -0.039 0.000 2.626 94 F HA 0.362 4.889 4.527 -0.000 0.000 0.353 94 F C 1.050 176.825 175.800 -0.041 0.000 1.230 94 F CA 0.338 58.349 58.000 0.019 0.000 1.298 94 F CB -0.238 38.773 39.000 0.019 0.000 1.670 94 F HN 0.261 nan 8.300 nan 0.000 0.633 95 E N 1.350 121.500 120.200 -0.083 0.000 2.343 95 E HA 0.345 4.695 4.350 -0.000 0.000 0.286 95 E C -0.738 175.542 176.600 -0.535 0.000 0.915 95 E CA -0.826 55.473 56.400 -0.169 0.000 0.784 95 E CB 1.385 31.061 29.700 -0.040 0.000 1.251 95 E HN 0.334 nan 8.360 nan 0.000 0.407 96 R N 2.781 123.047 120.500 -0.389 0.000 2.582 96 R HA 0.348 4.688 4.340 -0.000 0.000 0.271 96 R C -0.018 176.234 176.300 -0.080 0.000 1.078 96 R CA -0.457 55.390 56.100 -0.422 0.000 1.127 96 R CB 0.606 30.822 30.300 -0.140 0.000 1.038 96 R HN 0.448 nan 8.270 nan 0.000 0.500 97 L N 2.991 124.222 121.223 0.013 0.000 2.416 97 L HA 0.184 4.524 4.340 -0.000 0.000 0.272 97 L C 0.877 177.765 176.870 0.031 0.000 1.161 97 L CA 0.104 54.971 54.840 0.044 0.000 0.845 97 L CB 0.289 42.421 42.059 0.121 0.000 1.119 97 L HN 0.373 nan 8.230 nan 0.000 0.464 98 R N 1.766 122.264 120.500 -0.004 0.000 2.615 98 R HA 0.473 4.813 4.340 -0.000 0.000 0.270 98 R C -0.893 175.435 176.300 0.046 0.000 1.081 98 R CA -0.673 55.428 56.100 0.002 0.000 1.154 98 R CB 1.017 31.292 30.300 -0.043 0.000 1.063 98 R HN 0.311 nan 8.270 nan 0.000 0.519 99 V N 2.442 122.391 119.914 0.059 0.000 2.495 99 V HA 0.321 4.441 4.120 -0.000 0.000 0.298 99 V C -0.403 175.756 176.094 0.109 0.000 1.031 99 V CA -0.698 61.672 62.300 0.117 0.000 0.871 99 V CB 1.947 33.824 31.823 0.090 0.000 0.988 99 V HN 0.419 nan 8.190 nan 0.000 0.432 100 V N 3.644 123.684 119.914 0.211 0.000 2.444 100 V HA 0.465 4.585 4.120 -0.000 0.000 0.294 100 V C -0.111 176.193 176.094 0.351 0.000 1.022 100 V CA -0.574 61.803 62.300 0.128 0.000 0.850 100 V CB 1.482 33.206 31.823 -0.166 0.000 0.992 100 V HN 0.983 nan 8.190 nan 0.000 0.426 101 D N 4.429 124.964 120.400 0.225 0.000 2.689 101 D HA -0.191 4.449 4.640 -0.000 0.000 0.237 101 D C 1.305 177.808 176.300 0.338 0.000 1.148 101 D CA 1.730 55.899 54.000 0.282 0.000 0.656 101 D CB -0.985 40.018 40.800 0.338 0.000 1.050 101 D HN 1.417 nan 8.370 nan 0.000 0.426 102 G N -1.412 107.485 108.800 0.162 0.000 2.234 102 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.260 102 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.260 102 G C 0.166 174.888 174.900 -0.297 0.000 0.987 102 G CA 0.381 45.432 45.100 -0.083 0.000 0.625 102 G HN 0.411 nan 8.290 nan 0.000 0.532 103 F N 1.382 121.432 119.950 0.165 0.000 2.532 103 F HA 0.581 5.107 4.527 -0.000 0.000 0.321 103 F C 0.407 176.318 175.800 0.185 0.000 1.089 103 F CA -0.890 57.143 58.000 0.054 0.000 0.926 103 F CB 1.436 40.263 39.000 -0.288 0.000 1.168 103 F HN 0.240 nan 8.300 nan 0.000 0.459 104 N N 1.779 120.650 118.700 0.284 0.000 2.399 104 N HA 0.073 4.812 4.740 -0.000 0.000 0.250 104 N C 0.713 176.432 175.510 0.349 0.000 1.272 104 N CA -0.370 52.839 53.050 0.265 0.000 0.928 104 N CB 0.537 39.141 38.487 0.194 0.000 1.158 104 N HN 0.494 nan 8.380 nan 0.000 0.463 105 M N -0.017 119.750 119.600 0.278 0.000 2.279 105 M HA -0.054 4.426 4.480 -0.000 0.000 0.264 105 M C 1.891 178.475 176.300 0.473 0.000 1.062 105 M CA 1.377 56.844 55.300 0.278 0.000 1.099 105 M CB -1.907 30.683 32.600 -0.016 0.000 1.394 105 M HN 0.820 nan 8.290 nan 0.000 0.426 106 A N 0.504 123.581 122.820 0.429 0.000 1.908 106 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 106 A C 2.166 179.994 177.584 0.407 0.000 1.181 106 A CA 1.566 53.914 52.037 0.517 0.000 0.627 106 A CB -0.475 18.729 19.000 0.340 0.000 0.818 106 A HN 0.467 nan 8.150 nan 0.000 0.445 107 E N -0.909 119.432 120.200 0.236 0.000 2.047 107 E HA -0.225 4.125 4.350 -0.000 0.000 0.191 107 E C 1.913 178.516 176.600 0.005 0.000 0.987 107 E CA 1.239 57.663 56.400 0.041 0.000 0.799 107 E CB -0.464 29.176 29.700 -0.099 0.000 0.752 107 E HN 0.881 nan 8.360 nan 0.000 0.449 108 W N 0.354 121.785 121.300 0.218 0.000 2.338 108 W HA -0.207 4.453 4.660 -0.000 0.000 0.304 108 W C 2.271 179.033 176.519 0.405 0.000 1.212 108 W CA 0.518 58.008 57.345 0.243 0.000 1.264 108 W CB -0.751 28.819 29.460 0.183 0.000 1.142 108 W HN 0.236 nan 8.180 nan 0.000 0.512 109 W N 0.602 122.279 121.300 0.629 0.000 2.342 109 W HA -0.183 4.476 4.660 -0.000 0.000 0.297 109 W C 1.952 178.573 176.519 0.169 0.000 1.213 109 W CA 1.763 59.356 57.345 0.414 0.000 1.251 109 W CB -0.591 29.133 29.460 0.440 0.000 1.136 109 W HN -0.192 nan 8.180 nan 0.000 0.526 110 L N 0.082 121.400 121.223 0.159 0.000 2.141 110 L HA -0.139 4.201 4.340 -0.000 0.000 0.209 110 L C 2.592 179.366 176.870 -0.160 0.000 1.094 110 L CA 1.350 56.125 54.840 -0.109 0.000 0.763 110 L CB -1.057 41.006 42.059 0.006 0.000 0.908 110 L HN 0.093 nan 8.230 nan 0.000 0.437 111 A N -0.617 122.176 122.820 -0.045 0.000 1.943 111 A HA 0.031 4.351 4.320 -0.000 0.000 0.213 111 A C 1.698 179.274 177.584 -0.013 0.000 1.181 111 A CA 1.314 53.330 52.037 -0.036 0.000 0.653 111 A CB 0.046 19.036 19.000 -0.017 0.000 0.833 111 A HN 0.280 nan 8.150 nan 0.000 0.451 112 V N -3.860 116.083 119.914 0.049 0.000 3.329 112 V HA 0.511 4.631 4.120 -0.000 0.000 0.317 112 V C 0.843 176.873 176.094 -0.108 0.000 1.495 112 V CA 0.096 62.415 62.300 0.031 0.000 1.105 112 V CB -0.576 31.352 31.823 0.177 0.000 0.985 112 V HN 0.428 nan 8.190 nan 0.000 0.475 119 F N 4.696 124.254 119.950 -0.654 0.000 2.102 119 F HA -0.006 4.521 4.527 -0.000 0.000 0.298 119 F C 2.429 177.854 175.800 -0.626 0.000 1.105 119 F CA 2.879 60.083 58.000 -1.327 0.000 1.239 119 F CB -0.690 37.517 39.000 -1.323 0.000 0.991 119 F HN 0.761 nan 8.300 nan 0.000 0.474 120 S N -0.658 114.761 115.700 -0.467 0.000 2.387 120 S HA -0.202 4.268 4.470 -0.000 0.000 0.226 120 S C 2.042 176.524 174.600 -0.197 0.000 1.026 120 S CA 1.003 59.100 58.200 -0.172 0.000 0.972 120 S CB -0.872 62.593 63.200 0.441 0.000 0.814 120 S HN 0.685 nan 8.310 nan 0.000 0.477 121 E N 1.780 121.668 120.200 -0.519 0.000 2.051 121 E HA -0.116 4.234 4.350 -0.000 0.000 0.192 121 E C 2.123 178.530 176.600 -0.322 0.000 0.991 121 E CA 1.131 57.090 56.400 -0.734 0.000 0.799 121 E CB -0.484 28.761 29.700 -0.757 0.000 0.748 121 E HN 0.678 nan 8.360 nan 0.000 0.449 122 A N -0.186 122.449 122.820 -0.309 0.000 1.968 122 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 122 A C 2.207 179.747 177.584 -0.074 0.000 1.169 122 A CA 1.171 53.119 52.037 -0.149 0.000 0.638 122 A CB -0.307 18.610 19.000 -0.138 0.000 0.812 122 A HN 0.496 nan 8.150 nan 0.000 0.446 123 C N -2.397 116.652 119.300 -0.419 0.000 2.780 123 C HA 0.376 4.836 4.460 -0.000 0.000 0.267 123 C C -0.279 174.355 174.990 -0.593 0.000 1.266 123 C CA -0.395 58.280 59.018 -0.572 0.000 1.709 123 C CB -1.216 25.834 27.740 -1.150 0.000 1.975 123 C HN 0.503 nan 8.230 nan 0.000 0.582 124 Y N -0.385 119.825 120.300 -0.150 0.000 2.373 124 Y HA 0.383 4.933 4.550 -0.000 0.000 0.336 124 Y C 0.764 176.646 175.900 -0.030 0.000 0.979 124 Y CA -1.054 56.997 58.100 -0.081 0.000 1.080 124 Y CB 0.636 39.053 38.460 -0.072 0.000 1.190 124 Y HN -0.091 nan 8.280 nan 0.000 0.446 125 L N 0.607 121.915 121.223 0.141 0.000 2.079 125 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 125 L C 1.821 178.687 176.870 -0.007 0.000 1.081 125 L CA 1.814 56.689 54.840 0.058 0.000 0.752 125 L CB -0.569 41.526 42.059 0.060 0.000 0.896 125 L HN 0.741 nan 8.230 nan 0.000 0.433 126 T N -1.957 112.600 114.554 0.005 0.000 2.778 126 T HA -0.291 4.059 4.350 -0.000 0.000 0.269 126 T C 1.728 176.294 174.700 -0.224 0.000 1.050 126 T CA 1.760 63.787 62.100 -0.122 0.000 1.137 126 T CB -0.386 68.417 68.868 -0.109 0.000 0.860 126 T HN 0.484 nan 8.240 nan 0.000 0.468 127 H N 1.265 120.235 119.070 -0.167 0.000 2.265 127 H HA -0.059 4.497 4.556 -0.000 0.000 0.295 127 H C 2.611 177.823 175.328 -0.193 0.000 1.084 127 H CA 1.625 57.561 56.048 -0.187 0.000 1.261 127 H CB 0.132 29.950 29.762 0.094 0.000 1.360 127 H HN 0.017 nan 8.280 nan 0.000 0.487 128 R N -0.183 120.363 120.500 0.078 0.000 2.083 128 R HA -0.118 4.222 4.340 -0.000 0.000 0.237 128 R C 2.366 178.605 176.300 -0.101 0.000 1.137 128 R CA 1.103 57.220 56.100 0.028 0.000 0.951 128 R CB -0.749 29.564 30.300 0.021 0.000 0.851 128 R HN 0.319 nan 8.270 nan 0.000 0.434 129 L N 0.185 121.297 121.223 -0.185 0.000 2.079 129 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 129 L C 2.609 179.364 176.870 -0.192 0.000 1.081 129 L CA 1.455 56.157 54.840 -0.231 0.000 0.752 129 L CB -0.872 40.970 42.059 -0.362 0.000 0.896 129 L HN 0.176 nan 8.230 nan 0.000 0.433 130 C N -1.052 118.066 119.300 -0.304 0.000 2.476 130 C HA -0.081 4.379 4.460 -0.000 0.000 0.278 130 C C 2.654 177.604 174.990 -0.067 0.000 1.274 130 C CA 0.082 58.946 59.018 -0.257 0.000 1.713 130 C CB -0.609 26.518 27.740 -1.022 0.000 2.039 130 C HN 0.516 nan 8.230 nan 0.000 0.484 131 E N 1.223 121.333 120.200 -0.149 0.000 2.114 131 E HA -0.203 4.147 4.350 -0.000 0.000 0.199 131 E C 2.073 178.700 176.600 0.045 0.000 1.008 131 E CA 1.820 58.234 56.400 0.025 0.000 0.810 131 E CB -0.538 29.206 29.700 0.074 0.000 0.739 131 E HN 0.683 nan 8.360 nan 0.000 0.456 132 A N 0.272 123.096 122.820 0.006 0.000 2.307 132 A HA 0.044 4.364 4.320 -0.000 0.000 0.218 132 A C 0.352 177.940 177.584 0.007 0.000 1.228 132 A CA 0.013 52.054 52.037 0.008 0.000 0.857 132 A CB -0.222 18.772 19.000 -0.011 0.000 0.897 132 A HN 0.193 nan 8.150 nan 0.000 0.495 133 K N 0.109 120.523 120.400 0.023 0.000 3.150 133 K HA -0.143 4.177 4.320 -0.000 0.000 0.267 133 K C -0.589 176.011 176.600 -0.001 0.000 1.028 133 K CA 0.385 56.687 56.287 0.026 0.000 0.753 133 K CB -0.935 31.580 32.500 0.025 0.000 1.288 133 K HN 0.432 nan 8.250 nan 0.000 0.473 134 R N 0.164 120.633 120.500 -0.051 0.000 2.531 134 R HA 0.429 4.769 4.340 -0.000 0.000 0.273 134 R C 0.625 176.852 176.300 -0.122 0.000 1.070 134 R CA 0.073 56.117 56.100 -0.094 0.000 1.112 134 R CB 0.661 30.861 30.300 -0.168 0.000 1.049 134 R HN 0.353 nan 8.270 nan 0.000 0.508 135 A N 3.782 126.518 122.820 -0.140 0.000 2.351 135 A HA 0.331 4.651 4.320 -0.000 0.000 0.257 135 A C -1.500 175.825 177.584 -0.432 0.000 1.087 135 A CA -1.155 50.702 52.037 -0.299 0.000 0.798 135 A CB 0.110 18.961 19.000 -0.249 0.000 1.033 135 A HN 0.490 nan 8.150 nan 0.000 0.488 136 P HA 0.059 nan 4.420 nan 0.000 0.249 136 P C -0.151 176.988 177.300 -0.268 0.000 1.241 136 P CA 0.654 63.556 63.100 -0.328 0.000 0.781 136 P CB 0.208 31.625 31.700 -0.472 0.000 1.088 137 R N -0.312 119.849 120.500 -0.563 0.000 2.628 137 R HA 0.457 4.797 4.340 -0.000 0.000 0.288 137 R C 0.447 176.495 176.300 -0.421 0.000 0.980 137 R CA -1.091 54.686 56.100 -0.538 0.000 0.891 137 R CB 1.554 31.306 30.300 -0.913 0.000 1.188 137 R HN -0.068 nan 8.270 nan 0.000 0.450 138 M N 2.484 121.976 119.600 -0.179 0.000 2.219 138 M HA 0.012 4.492 4.480 -0.000 0.000 0.307 138 M C 1.640 177.975 176.300 0.058 0.000 1.116 138 M CA 0.439 55.711 55.300 -0.046 0.000 1.181 138 M CB 0.201 32.798 32.600 -0.004 0.000 1.410 138 M HN 0.655 nan 8.290 nan 0.000 0.454 139 L N 0.968 122.271 121.223 0.135 0.000 2.275 139 L HA -0.223 4.117 4.340 -0.000 0.000 0.215 139 L C 1.699 178.681 176.870 0.186 0.000 1.119 139 L CA 0.973 55.947 54.840 0.223 0.000 0.790 139 L CB -0.626 41.505 42.059 0.121 0.000 0.919 139 L HN 0.728 nan 8.230 nan 0.000 0.443 140 D N -0.756 119.715 120.400 0.118 0.000 2.347 140 D HA -0.023 4.617 4.640 -0.000 0.000 0.215 140 D C 1.488 177.855 176.300 0.112 0.000 0.976 140 D CA 0.973 55.026 54.000 0.089 0.000 0.884 140 D CB 0.214 41.045 40.800 0.053 0.000 0.915 140 D HN 0.237 nan 8.370 nan 0.000 0.526 141 G N -0.294 108.596 108.800 0.150 0.000 2.192 141 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.193 141 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.193 141 G C 0.201 175.128 174.900 0.046 0.000 0.999 141 G CA 0.111 45.302 45.100 0.152 0.000 0.659 141 G HN 0.709 nan 8.290 nan 0.000 0.503 142 S N 0.588 116.296 115.700 0.013 0.000 2.545 142 S HA 0.706 5.176 4.470 -0.000 0.000 0.275 142 S C 0.280 174.846 174.600 -0.056 0.000 1.299 142 S CA -0.666 57.529 58.200 -0.009 0.000 1.048 142 S CB 2.500 65.699 63.200 -0.002 0.000 0.938 142 S HN 1.097 nan 8.310 nan 0.000 0.496 143 L N 3.523 124.708 121.223 -0.062 0.000 2.456 143 L HA 0.261 4.601 4.340 -0.000 0.000 0.272 143 L C 1.052 177.837 176.870 -0.140 0.000 1.189 143 L CA -0.447 54.317 54.840 -0.127 0.000 0.846 143 L CB -0.234 41.726 42.059 -0.165 0.000 1.111 143 L HN 0.809 nan 8.230 nan 0.000 0.475 144 F N 2.947 122.805 119.950 -0.153 0.000 2.269 144 F HA 0.142 4.669 4.527 0.000 0.000 0.301 144 F C 1.231 176.975 175.800 -0.093 0.000 1.082 144 F CA 0.313 58.237 58.000 -0.126 0.000 1.360 144 F CB -1.025 37.888 39.000 -0.144 0.000 1.041 144 F HN 0.531 nan 8.300 nan 0.000 0.512 153 G N 1.545 110.357 108.800 0.019 0.000 2.527 153 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.268 153 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.268 153 G C -0.177 174.690 174.900 -0.054 0.000 1.175 153 G CA 0.236 45.316 45.100 -0.033 0.000 0.962 153 G HN 0.190 nan 8.290 nan 0.000 0.560 154 R N 1.414 121.839 120.500 -0.125 0.000 2.308 154 R HA 0.537 4.877 4.340 -0.000 0.000 0.325 154 R C 0.165 176.583 176.300 0.196 0.000 1.161 154 R CA 0.625 56.622 56.100 -0.172 0.000 1.022 154 R CB 0.594 30.651 30.300 -0.405 0.000 1.091 154 R HN 0.911 nan 8.270 nan 0.000 0.497 155 S N 0.116 116.062 115.700 0.409 0.000 2.537 155 S HA 0.461 4.930 4.470 -0.000 0.000 0.270 155 S C -0.120 174.630 174.600 0.249 0.000 1.142 155 S CA -1.006 57.365 58.200 0.284 0.000 0.870 155 S CB 1.893 65.219 63.200 0.209 0.000 1.112 155 S HN 0.414 nan 8.310 nan 0.000 0.466 156 T N -0.007 114.604 114.554 0.095 0.000 2.912 156 T HA 0.549 4.899 4.350 -0.000 0.000 0.280 156 T C 1.424 176.011 174.700 -0.187 0.000 0.989 156 T CA -1.021 61.080 62.100 0.002 0.000 0.995 156 T CB 0.359 69.232 68.868 0.009 0.000 1.077 156 T HN 0.536 nan 8.240 nan 0.000 0.531 157 L N 0.780 121.917 121.223 -0.142 0.000 2.089 157 L HA -0.138 4.202 4.340 -0.000 0.000 0.213 157 L C 3.105 179.854 176.870 -0.201 0.000 1.079 157 L CA 1.826 56.563 54.840 -0.172 0.000 0.758 157 L CB -0.958 41.186 42.059 0.142 0.000 0.891 157 L HN 0.959 nan 8.230 nan 0.000 0.433 158 A N -0.518 122.208 122.820 -0.157 0.000 2.131 158 A HA -0.201 4.119 4.320 -0.000 0.000 0.220 158 A C 1.882 179.417 177.584 -0.081 0.000 1.158 158 A CA 1.679 53.636 52.037 -0.132 0.000 0.665 158 A CB -0.350 18.603 19.000 -0.078 0.000 0.795 158 A HN 0.437 nan 8.150 nan 0.000 0.460 159 E N -0.534 119.600 120.200 -0.109 0.000 2.476 159 E HA 0.075 4.425 4.350 -0.000 0.000 0.196 159 E C 0.571 177.169 176.600 -0.003 0.000 1.029 159 E CA -0.223 56.154 56.400 -0.039 0.000 0.896 159 E CB 0.068 29.772 29.700 0.006 0.000 1.012 159 E HN 0.720 nan 8.360 nan 0.000 0.475 160 Q N 1.359 121.125 119.800 -0.056 0.000 2.262 160 Q HA -0.078 4.262 4.340 -0.000 0.000 0.298 160 Q C 0.233 176.313 176.000 0.134 0.000 1.083 160 Q CA 0.317 56.198 55.803 0.130 0.000 0.962 160 Q CB 0.463 29.304 28.738 0.171 0.000 1.104 160 Q HN -0.014 nan 8.270 nan 0.000 0.376 161 R N 2.862 123.457 120.500 0.159 0.000 1.747 161 R HA 0.400 4.740 4.340 -0.000 0.000 0.136 161 R C -0.187 176.186 176.300 0.121 0.000 2.116 161 R CA 0.613 56.785 56.100 0.119 0.000 1.739 161 R CB -1.188 29.172 30.300 0.100 0.000 1.333 161 R HN 0.705 nan 8.270 nan 0.000 0.480 162 A N 1.616 124.503 122.820 0.111 0.000 2.386 162 A HA 0.145 4.465 4.320 -0.000 0.000 0.248 162 A C -0.135 177.525 177.584 0.128 0.000 1.082 162 A CA -0.134 51.961 52.037 0.096 0.000 0.789 162 A CB 0.078 19.116 19.000 0.064 0.000 1.025 162 A HN 0.288 nan 8.150 nan 0.000 0.490 163 Q N 1.139 121.003 119.800 0.107 0.000 2.300 163 Q HA 0.309 4.649 4.340 -0.000 0.000 0.262 163 Q C -0.772 175.287 176.000 0.100 0.000 1.109 163 Q CA 0.175 56.058 55.803 0.133 0.000 0.905 163 Q CB -0.303 28.500 28.738 0.109 0.000 1.280 163 Q HN 0.494 nan 8.270 nan 0.000 0.426 164 F N 7.275 127.202 119.950 -0.039 0.000 2.572 164 F HA 0.204 4.731 4.527 -0.000 0.000 0.370 164 F C -1.523 174.197 175.800 -0.133 0.000 1.103 164 F CA -1.749 56.163 58.000 -0.146 0.000 1.286 164 F CB 0.979 39.838 39.000 -0.235 0.000 1.105 164 F HN 0.627 nan 8.300 nan 0.000 0.583 165 P HA 0.052 nan 4.420 nan 0.000 0.261 165 P C -1.625 175.695 177.300 0.033 0.000 1.268 165 P CA 0.604 63.593 63.100 -0.185 0.000 0.833 165 P CB -0.201 31.352 31.700 -0.245 0.000 1.231 166 Y N -2.796 117.341 120.300 -0.271 0.000 2.638 166 Y HA 0.780 5.330 4.550 0.000 0.000 0.335 166 Y C -1.121 174.490 175.900 -0.481 0.000 1.155 166 Y CA -1.570 56.376 58.100 -0.256 0.000 1.046 166 Y CB 0.392 38.768 38.460 -0.141 0.000 1.303 166 Y HN -0.058 nan 8.280 nan 0.000 0.460 167 A N 0.980 123.558 122.820 -0.403 0.000 2.793 167 A HA 0.885 5.204 4.320 -0.000 0.000 0.236 167 A C -2.075 175.302 177.584 -0.346 0.000 1.242 167 A CA -0.997 50.773 52.037 -0.445 0.000 0.885 167 A CB 0.832 19.597 19.000 -0.393 0.000 1.436 167 A HN 0.797 nan 8.150 nan 0.000 0.483 168 Y N -1.311 119.025 120.300 0.061 0.000 2.545 168 Y HA 0.566 5.116 4.550 -0.000 0.000 0.348 168 Y C -0.471 175.221 175.900 -0.347 0.000 1.002 168 Y CA -0.446 57.629 58.100 -0.041 0.000 1.039 168 Y CB 2.044 40.641 38.460 0.229 0.000 1.271 168 Y HN 0.710 nan 8.280 nan 0.000 0.467 169 H N 2.112 121.261 119.070 0.132 0.000 2.469 169 H HA 0.617 5.173 4.556 -0.000 0.000 0.342 169 H C -1.115 174.236 175.328 0.038 0.000 1.115 169 H CA -0.743 55.287 56.048 -0.030 0.000 1.204 169 H CB 1.314 31.111 29.762 0.059 0.000 1.492 169 H HN 0.466 nan 8.280 nan 0.000 0.499 170 F N -1.408 118.729 119.950 0.312 0.000 2.711 170 F HA 0.305 4.832 4.527 -0.000 0.000 0.313 170 F C -1.013 174.900 175.800 0.188 0.000 1.141 170 F CA -1.717 56.419 58.000 0.227 0.000 0.941 170 F CB 0.791 39.949 39.000 0.262 0.000 1.349 170 F HN 0.317 nan 8.300 nan 0.000 0.464 171 D N 1.158 121.852 120.400 0.490 0.000 2.336 171 D HA 0.410 5.050 4.640 -0.000 0.000 0.249 171 D C 0.931 177.415 176.300 0.306 0.000 1.213 171 D CA 0.377 54.576 54.000 0.332 0.000 0.870 171 D CB 1.816 42.740 40.800 0.207 0.000 1.076 171 D HN 0.822 nan 8.370 nan 0.000 0.483 172 A N 4.356 127.373 122.820 0.329 0.000 2.067 172 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 172 A C 1.699 179.340 177.584 0.096 0.000 1.158 172 A CA 0.853 53.023 52.037 0.220 0.000 0.661 172 A CB 0.017 19.174 19.000 0.262 0.000 0.801 172 A HN 0.533 nan 8.150 nan 0.000 0.452 173 D N 0.198 120.663 120.400 0.108 0.000 2.087 173 D HA -0.145 4.495 4.640 -0.000 0.000 0.192 173 D C 1.860 178.190 176.300 0.050 0.000 0.993 173 D CA 1.359 55.407 54.000 0.080 0.000 0.828 173 D CB -0.250 40.602 40.800 0.086 0.000 0.968 173 D HN 0.388 nan 8.370 nan 0.000 0.448 174 E N 0.375 120.609 120.200 0.057 0.000 2.153 174 E HA -0.090 4.260 4.350 -0.000 0.000 0.194 174 E C 2.401 179.012 176.600 0.018 0.000 0.988 174 E CA 0.221 56.646 56.400 0.043 0.000 0.811 174 E CB -0.130 29.605 29.700 0.059 0.000 0.746 174 E HN 0.151 nan 8.360 nan 0.000 0.466 175 V N 1.565 121.441 119.914 -0.064 0.000 2.307 175 V HA -0.258 3.862 4.120 -0.000 0.000 0.245 175 V C 2.481 178.547 176.094 -0.047 0.000 1.045 175 V CA 1.765 63.974 62.300 -0.152 0.000 1.024 175 V CB -0.905 30.570 31.823 -0.582 0.000 0.651 175 V HN 0.239 nan 8.190 nan 0.000 0.449 176 A N 0.207 123.007 122.820 -0.033 0.000 1.873 176 A HA -0.332 3.988 4.320 -0.000 0.000 0.218 176 A C 2.368 179.832 177.584 -0.200 0.000 1.193 176 A CA 2.524 54.559 52.037 -0.002 0.000 0.629 176 A CB -0.700 18.370 19.000 0.116 0.000 0.826 176 A HN 0.498 nan 8.150 nan 0.000 0.447 177 R N -2.035 118.386 120.500 -0.132 0.000 2.113 177 R HA -0.246 4.094 4.340 -0.000 0.000 0.244 177 R C 2.115 178.294 176.300 -0.201 0.000 1.142 177 R CA 2.337 58.327 56.100 -0.184 0.000 0.953 177 R CB -0.625 29.641 30.300 -0.055 0.000 0.860 177 R HN 0.645 nan 8.270 nan 0.000 0.438 178 Y N 0.755 120.952 120.300 -0.173 0.000 2.145 178 Y HA -0.159 4.391 4.550 -0.000 0.000 0.286 178 Y C 1.845 177.663 175.900 -0.136 0.000 1.145 178 Y CA 1.805 59.834 58.100 -0.118 0.000 1.148 178 Y CB -0.181 38.251 38.460 -0.047 0.000 0.981 178 Y HN 0.061 nan 8.280 nan 0.000 0.507 179 L N -0.222 120.927 121.223 -0.123 0.000 2.201 179 L HA -0.181 4.159 4.340 -0.000 0.000 0.212 179 L C 2.737 179.428 176.870 -0.298 0.000 1.105 179 L CA 1.374 56.133 54.840 -0.135 0.000 0.775 179 L CB -0.781 41.309 42.059 0.053 0.000 0.913 179 L HN 0.380 nan 8.230 nan 0.000 0.440 180 S N -0.437 114.801 115.700 -0.769 0.000 2.368 180 S HA -0.208 4.262 4.470 -0.000 0.000 0.224 180 S C 1.751 175.888 174.600 -0.772 0.000 1.029 180 S CA 1.133 58.436 58.200 -1.495 0.000 0.988 180 S CB -0.224 61.645 63.200 -2.219 0.000 0.838 180 S HN 0.449 nan 8.310 nan 0.000 0.462 181 E N -0.063 119.820 120.200 -0.527 0.000 2.051 181 E HA -0.144 4.206 4.350 -0.000 0.000 0.192 181 E C 1.858 178.287 176.600 -0.285 0.000 0.991 181 E CA 1.472 57.658 56.400 -0.357 0.000 0.799 181 E CB -0.375 29.137 29.700 -0.313 0.000 0.748 181 E HN 0.752 nan 8.360 nan 0.000 0.449 182 Y N 1.018 121.049 120.300 -0.449 0.000 2.081 182 Y HA -0.322 4.228 4.550 -0.000 0.000 0.280 182 Y C 2.179 177.966 175.900 -0.188 0.000 1.163 182 Y CA 1.954 59.859 58.100 -0.326 0.000 1.135 182 Y CB -0.370 37.883 38.460 -0.345 0.000 0.970 182 Y HN 0.023 nan 8.280 nan 0.000 0.498 183 A N 0.080 122.920 122.820 0.033 0.000 1.898 183 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 183 A C 2.253 179.838 177.584 0.002 0.000 1.181 183 A CA 1.812 53.908 52.037 0.098 0.000 0.620 183 A CB -1.078 18.142 19.000 0.366 0.000 0.819 183 A HN 0.589 nan 8.150 nan 0.000 0.442 184 I N -0.085 120.453 120.570 -0.053 0.000 2.252 184 I HA -0.247 3.923 4.170 -0.000 0.000 0.245 184 I C 2.887 178.954 176.117 -0.083 0.000 1.102 184 I CA 0.962 62.239 61.300 -0.039 0.000 1.385 184 I CB -0.304 37.653 38.000 -0.073 0.000 1.064 184 I HN 0.329 nan 8.210 nan 0.000 0.414 185 A N 0.494 123.223 122.820 -0.151 0.000 2.076 185 A HA -0.193 4.127 4.320 -0.000 0.000 0.220 185 A C 2.236 179.713 177.584 -0.177 0.000 1.160 185 A CA 1.532 53.468 52.037 -0.168 0.000 0.653 185 A CB -0.552 18.318 19.000 -0.217 0.000 0.801 185 A HN 0.367 nan 8.150 nan 0.000 0.455 186 R N -1.748 118.630 120.500 -0.203 0.000 2.388 186 R HA 0.285 4.625 4.340 -0.000 0.000 0.247 186 R C 0.908 177.154 176.300 -0.089 0.000 0.931 186 R CA 0.575 56.566 56.100 -0.182 0.000 1.082 186 R CB 0.103 30.240 30.300 -0.271 0.000 1.135 186 R HN 0.656 nan 8.270 nan 0.000 0.525 187 G N 0.288 109.056 108.800 -0.054 0.000 2.134 187 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.209 187 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.209 187 G C -0.060 174.848 174.900 0.015 0.000 0.993 187 G CA -0.274 44.816 45.100 -0.017 0.000 0.669 187 G HN 0.118 nan 8.290 nan 0.000 0.519 188 V N 1.445 121.383 119.914 0.040 0.000 2.508 188 V HA 0.303 4.423 4.120 -0.000 0.000 0.281 188 V C 1.318 177.478 176.094 0.110 0.000 1.041 188 V CA -0.257 62.095 62.300 0.087 0.000 1.016 188 V CB 1.261 33.185 31.823 0.169 0.000 0.984 188 V HN 0.451 nan 8.190 nan 0.000 0.478 189 R N 4.329 124.881 120.500 0.086 0.000 2.316 189 R HA 0.175 4.515 4.340 -0.000 0.000 0.314 189 R C -0.149 176.247 176.300 0.160 0.000 1.069 189 R CA -0.300 55.859 56.100 0.097 0.000 0.959 189 R CB 0.166 30.495 30.300 0.048 0.000 0.987 189 R HN 0.878 nan 8.270 nan 0.000 0.446 190 H N 4.038 123.154 119.070 0.078 0.000 2.519 190 H HA 0.292 4.848 4.556 -0.000 0.000 0.316 190 H C -1.166 174.164 175.328 0.003 0.000 1.065 190 H CA -0.845 55.270 56.048 0.111 0.000 1.264 190 H CB 1.221 31.113 29.762 0.217 0.000 1.413 190 H HN 0.253 nan 8.280 nan 0.000 0.465 191 V N 6.837 126.669 119.914 -0.137 0.000 2.378 191 V HA 0.111 4.231 4.120 -0.000 0.000 0.288 191 V C -0.203 175.668 176.094 -0.371 0.000 1.016 191 V CA -0.760 61.323 62.300 -0.361 0.000 0.840 191 V CB 1.520 33.135 31.823 -0.347 0.000 0.994 191 V HN 0.524 nan 8.190 nan 0.000 0.431 192 V N 5.000 124.675 119.914 -0.399 0.000 2.304 192 V HA 0.562 4.681 4.120 -0.000 0.000 0.269 192 V C -0.252 175.785 176.094 -0.095 0.000 1.036 192 V CA 0.137 62.308 62.300 -0.215 0.000 0.840 192 V CB 0.889 32.608 31.823 -0.174 0.000 1.036 192 V HN 0.951 nan 8.190 nan 0.000 0.466 193 D N 2.140 122.509 120.400 -0.051 0.000 2.692 193 D HA 0.262 4.901 4.640 -0.000 0.000 0.290 193 D C -1.773 174.545 176.300 0.029 0.000 1.281 193 D CA -0.497 53.522 54.000 0.031 0.000 0.804 193 D CB 2.630 43.479 40.800 0.082 0.000 1.331 193 D HN 0.341 nan 8.370 nan 0.000 0.432 194 D N 0.539 120.970 120.400 0.052 0.000 2.193 194 D HA 0.294 4.934 4.640 -0.000 0.000 0.244 194 D C -0.121 176.212 176.300 0.055 0.000 1.064 194 D CA -0.324 53.703 54.000 0.044 0.000 0.845 194 D CB 2.132 42.958 40.800 0.043 0.000 1.148 194 D HN -0.006 nan 8.370 nan 0.000 0.464 195 V N 3.411 123.351 119.914 0.043 0.000 2.415 195 V HA -0.014 4.106 4.120 -0.000 0.000 0.267 195 V C 1.426 177.561 176.094 0.068 0.000 1.042 195 V CA 0.285 62.619 62.300 0.056 0.000 1.000 195 V CB 0.838 32.678 31.823 0.030 0.000 1.015 195 V HN 0.466 nan 8.190 nan 0.000 0.478 196 Q N 2.449 122.313 119.800 0.106 0.000 2.250 196 Q HA 0.104 4.444 4.340 -0.000 0.000 0.200 196 Q C 0.286 176.382 176.000 0.159 0.000 0.941 196 Q CA 0.724 56.591 55.803 0.108 0.000 0.872 196 Q CB 0.462 29.259 28.738 0.099 0.000 0.965 196 Q HN 0.858 nan 8.270 nan 0.000 0.480 197 H N -1.122 117.984 119.070 0.060 0.000 3.029 197 H HA 0.359 4.915 4.556 -0.000 0.000 0.358 197 H C -1.842 173.565 175.328 0.131 0.000 1.129 197 H CA -0.659 55.417 56.048 0.047 0.000 1.230 197 H CB 1.424 31.156 29.762 -0.051 0.000 1.827 197 H HN -0.195 nan 8.280 nan 0.000 0.530 198 V N 4.324 123.988 119.914 -0.417 0.000 2.370 198 V HA 0.533 4.653 4.120 -0.000 0.000 0.283 198 V C 0.954 176.791 176.094 -0.428 0.000 1.023 198 V CA -0.163 61.952 62.300 -0.308 0.000 0.857 198 V CB 1.384 33.043 31.823 -0.274 0.000 0.985 198 V HN 0.956 nan 8.190 nan 0.000 0.443 199 G N 3.741 112.462 108.800 -0.131 0.000 2.444 199 G HA2 0.540 4.500 3.960 -0.000 0.000 0.268 199 G HA3 0.540 4.500 3.960 -0.000 0.000 0.268 199 G C -0.663 174.187 174.900 -0.082 0.000 1.203 199 G CA -0.246 44.857 45.100 0.005 0.000 0.835 199 G HN 0.652 nan 8.290 nan 0.000 0.543 200 Q N 0.303 120.089 119.800 -0.024 0.000 2.347 200 Q HA 0.248 4.588 4.340 -0.000 0.000 0.271 200 Q C -0.822 175.196 176.000 0.030 0.000 1.064 200 Q CA -0.939 54.853 55.803 -0.019 0.000 0.800 200 Q CB 2.440 31.159 28.738 -0.031 0.000 1.304 200 Q HN 0.801 nan 8.270 nan 0.000 0.438 201 D N 0.283 120.711 120.400 0.048 0.000 2.398 201 D HA -0.103 4.537 4.640 -0.000 0.000 0.264 201 D C 0.810 177.131 176.300 0.034 0.000 1.263 201 D CA -0.263 53.762 54.000 0.041 0.000 1.037 201 D CB 0.438 41.256 40.800 0.030 0.000 1.101 201 D HN 0.692 nan 8.370 nan 0.000 0.551 202 E N -0.778 119.430 120.200 0.013 0.000 2.331 202 E HA -0.240 4.110 4.350 -0.000 0.000 0.199 202 E C 1.469 178.077 176.600 0.013 0.000 1.008 202 E CA 0.773 57.177 56.400 0.007 0.000 0.843 202 E CB -0.012 29.683 29.700 -0.008 0.000 0.761 202 E HN 0.535 nan 8.360 nan 0.000 0.507 203 R N -1.053 119.459 120.500 0.020 0.000 2.397 203 R HA 0.211 4.551 4.340 -0.000 0.000 0.241 203 R C 1.136 177.554 176.300 0.196 0.000 0.914 203 R CA 0.647 56.776 56.100 0.049 0.000 1.071 203 R CB 0.525 30.778 30.300 -0.079 0.000 1.116 203 R HN 0.155 nan 8.270 nan 0.000 0.524 204 G N 0.688 109.590 108.800 0.171 0.000 2.176 204 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.232 204 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.232 204 G C -0.553 174.438 174.900 0.152 0.000 0.986 204 G CA -0.098 45.085 45.100 0.138 0.000 0.643 204 G HN 0.245 nan 8.290 nan 0.000 0.522 205 W N 0.593 121.828 121.300 -0.107 0.000 2.251 205 W HA 0.706 5.366 4.660 -0.000 0.000 0.329 205 W C 1.022 177.447 176.519 -0.157 0.000 1.234 205 W CA -1.060 56.200 57.345 -0.141 0.000 1.228 205 W CB 0.302 29.659 29.460 -0.171 0.000 1.135 205 W HN 0.092 nan 8.180 nan 0.000 0.576 206 I N 2.910 123.428 120.570 -0.086 0.000 2.533 206 I HA -0.070 4.100 4.170 -0.000 0.000 0.284 206 I C 1.405 177.416 176.117 -0.177 0.000 1.109 206 I CA 0.430 61.537 61.300 -0.322 0.000 1.412 206 I CB 0.762 38.279 38.000 -0.805 0.000 1.396 206 I HN 0.546 nan 8.210 nan 0.000 0.543 207 S N 3.693 119.314 115.700 -0.131 0.000 2.492 207 S HA 0.420 4.890 4.470 -0.000 0.000 0.218 207 S C 0.669 175.307 174.600 0.064 0.000 1.016 207 S CA 0.205 58.425 58.200 0.033 0.000 0.916 207 S CB 0.563 63.793 63.200 0.049 0.000 0.791 207 S HN 0.887 nan 8.310 nan 0.000 0.513 208 G N 0.478 109.206 108.800 -0.120 0.000 2.325 208 G HA2 0.414 4.374 3.960 -0.000 0.000 0.297 208 G HA3 0.414 4.374 3.960 -0.000 0.000 0.297 208 G C -1.493 173.290 174.900 -0.194 0.000 1.448 208 G CA -0.293 44.779 45.100 -0.047 0.000 0.838 208 G HN 1.013 nan 8.290 nan 0.000 0.579 209 V N -1.471 118.385 119.914 -0.096 0.000 2.384 209 V HA 0.773 4.893 4.120 -0.000 0.000 0.287 209 V C -0.505 175.534 176.094 -0.093 0.000 1.020 209 V CA -1.192 61.067 62.300 -0.068 0.000 0.850 209 V CB 0.881 32.713 31.823 0.015 0.000 0.987 209 V HN 0.756 nan 8.190 nan 0.000 0.436 210 H N 3.022 122.135 119.070 0.071 0.000 2.562 210 H HA 0.659 5.215 4.556 -0.000 0.000 0.314 210 H C 0.809 176.186 175.328 0.082 0.000 1.079 210 H CA 0.409 56.513 56.048 0.094 0.000 1.349 210 H CB 1.358 31.199 29.762 0.131 0.000 1.432 210 H HN 1.011 nan 8.280 nan 0.000 0.479 211 T N -0.766 113.891 114.554 0.172 0.000 2.950 211 T HA 0.268 4.618 4.350 -0.000 0.000 0.288 211 T C 1.226 176.004 174.700 0.130 0.000 1.035 211 T CA -1.192 60.992 62.100 0.140 0.000 1.028 211 T CB 2.133 71.087 68.868 0.143 0.000 1.109 211 T HN 0.546 nan 8.240 nan 0.000 0.514 212 K N -0.152 120.315 120.400 0.111 0.000 2.026 212 K HA -0.077 4.243 4.320 -0.000 0.000 0.208 212 K C 1.926 178.560 176.600 0.055 0.000 1.048 212 K CA 1.573 57.906 56.287 0.076 0.000 0.929 212 K CB 0.049 32.587 32.500 0.064 0.000 0.713 212 K HN 0.664 nan 8.250 nan 0.000 0.439 213 Q N -2.022 117.820 119.800 0.070 0.000 2.211 213 Q HA 0.051 4.391 4.340 -0.000 0.000 0.242 213 Q C 0.182 176.039 176.000 -0.238 0.000 0.825 213 Q CA 0.214 55.970 55.803 -0.079 0.000 0.951 213 Q CB 1.005 29.657 28.738 -0.143 0.000 1.130 213 Q HN 0.412 nan 8.270 nan 0.000 0.496 214 H N 0.238 119.321 119.070 0.022 0.000 2.486 214 H HA 0.350 4.906 4.556 -0.000 0.000 0.284 214 H C 0.909 176.253 175.328 0.026 0.000 1.103 214 H CA 0.398 56.458 56.048 0.019 0.000 1.089 214 H CB 0.639 30.408 29.762 0.012 0.000 1.603 214 H HN 0.368 nan 8.280 nan 0.000 0.557 215 G N 1.047 109.910 108.800 0.105 0.000 2.574 215 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.282 215 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.282 215 G C 0.043 174.994 174.900 0.085 0.000 1.257 215 G CA -0.027 45.129 45.100 0.094 0.000 0.956 215 G HN 0.508 nan 8.290 nan 0.000 0.560 216 E N -0.034 120.186 120.200 0.032 0.000 2.229 216 E HA 0.470 4.820 4.350 -0.000 0.000 0.283 216 E C -0.055 176.521 176.600 -0.040 0.000 1.030 216 E CA -0.482 55.853 56.400 -0.108 0.000 0.836 216 E CB 0.244 29.820 29.700 -0.208 0.000 1.068 216 E HN 0.383 nan 8.360 nan 0.000 0.401 217 I N 4.017 124.567 120.570 -0.033 0.000 2.328 217 I HA 0.164 4.334 4.170 -0.000 0.000 0.287 217 I C -0.242 175.922 176.117 0.078 0.000 1.012 217 I CA -0.311 61.005 61.300 0.026 0.000 1.195 217 I CB 1.523 39.544 38.000 0.035 0.000 1.350 217 I HN 0.391 nan 8.210 nan 0.000 0.464 218 S N 3.579 119.326 115.700 0.077 0.000 2.718 218 S HA 0.953 5.422 4.470 -0.000 0.000 0.300 218 S C 0.154 174.780 174.600 0.043 0.000 1.117 218 S CA -0.672 57.620 58.200 0.153 0.000 1.002 218 S CB 2.237 65.509 63.200 0.120 0.000 1.092 218 S HN 0.855 nan 8.310 nan 0.000 0.542 219 G N -0.156 108.645 108.800 0.001 0.000 2.430 219 G HA2 0.394 4.353 3.960 -0.000 0.000 0.300 219 G HA3 0.394 4.353 3.960 -0.000 0.000 0.300 219 G C -0.979 173.829 174.900 -0.152 0.000 1.330 219 G CA -0.522 44.464 45.100 -0.190 0.000 0.813 219 G HN 0.506 nan 8.290 nan 0.000 0.487 220 D N -1.108 119.229 120.400 -0.106 0.000 2.290 220 D HA 0.108 4.748 4.640 -0.000 0.000 0.224 220 D C 0.669 177.085 176.300 0.193 0.000 0.967 220 D CA 0.768 54.851 54.000 0.139 0.000 0.893 220 D CB 0.324 41.247 40.800 0.204 0.000 1.037 220 D HN 0.186 nan 8.370 nan 0.000 0.477 221 L N 0.373 121.589 121.223 -0.011 0.000 2.317 221 L HA 0.414 4.754 4.340 -0.000 0.000 0.281 221 L C -1.383 175.272 176.870 -0.358 0.000 1.024 221 L CA -0.510 54.347 54.840 0.028 0.000 0.810 221 L CB 1.222 43.279 42.059 -0.003 0.000 1.240 221 L HN -0.273 nan 8.230 nan 0.000 0.427 222 F N 4.188 124.109 119.950 -0.049 0.000 2.469 222 F HA 0.616 5.143 4.527 -0.000 0.000 0.332 222 F C -0.202 175.501 175.800 -0.161 0.000 1.103 222 F CA -0.834 57.108 58.000 -0.095 0.000 0.979 222 F CB 1.975 40.917 39.000 -0.097 0.000 1.137 222 F HN 0.087 nan 8.300 nan 0.000 0.463 223 V N 2.219 122.132 119.914 -0.002 0.000 2.357 223 V HA 0.195 4.315 4.120 -0.000 0.000 0.284 223 V C -0.588 175.479 176.094 -0.045 0.000 1.018 223 V CA -0.792 61.462 62.300 -0.077 0.000 0.841 223 V CB 1.433 33.190 31.823 -0.111 0.000 0.991 223 V HN 0.603 nan 8.190 nan 0.000 0.437 224 D N 3.859 124.226 120.400 -0.055 0.000 2.352 224 D HA 0.174 4.814 4.640 -0.000 0.000 0.245 224 D C 0.006 176.267 176.300 -0.064 0.000 1.224 224 D CA -0.103 53.867 54.000 -0.050 0.000 0.879 224 D CB 0.979 41.752 40.800 -0.045 0.000 1.057 224 D HN 0.592 nan 8.370 nan 0.000 0.491 225 C N 3.377 122.630 119.300 -0.078 0.000 2.557 225 C HA 0.142 4.602 4.460 -0.000 0.000 0.281 225 C C 1.745 176.679 174.990 -0.094 0.000 1.490 225 C CA -0.290 58.671 59.018 -0.095 0.000 1.771 225 C CB -1.166 26.498 27.740 -0.126 0.000 2.887 225 C HN 0.722 nan 8.230 nan 0.000 0.527 226 T N -2.117 112.390 114.554 -0.079 0.000 3.129 226 T HA 0.447 4.797 4.350 -0.000 0.000 0.251 226 T C 1.133 175.776 174.700 -0.095 0.000 1.117 226 T CA 0.869 62.925 62.100 -0.073 0.000 1.034 226 T CB 0.203 69.039 68.868 -0.053 0.000 0.968 226 T HN 1.014 nan 8.240 nan 0.000 0.526 227 G N 1.250 109.968 108.800 -0.136 0.000 2.568 227 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.222 227 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.222 227 G C 0.095 174.895 174.900 -0.168 0.000 1.321 227 G CA -0.243 44.709 45.100 -0.248 0.000 0.893 227 G HN 0.116 nan 8.290 nan 0.000 0.569 228 F N 0.943 120.820 119.950 -0.122 0.000 2.202 228 F HA -0.038 4.489 4.527 -0.000 0.000 0.301 228 F C 2.881 178.585 175.800 -0.159 0.000 1.082 228 F CA 2.015 59.921 58.000 -0.157 0.000 1.313 228 F CB -0.547 38.355 39.000 -0.164 0.000 1.024 228 F HN 0.526 nan 8.300 nan 0.000 0.495 229 R N 0.656 121.195 120.500 0.066 0.000 2.140 229 R HA -0.177 4.163 4.340 -0.000 0.000 0.250 229 R C 1.362 177.647 176.300 -0.026 0.000 1.150 229 R CA 1.337 57.438 56.100 0.003 0.000 0.966 229 R CB -0.896 29.399 30.300 -0.009 0.000 0.869 229 R HN 0.392 nan 8.270 nan 0.000 0.445 230 G N 1.045 109.829 108.800 -0.026 0.000 2.386 230 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.295 230 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.295 230 G C 0.402 175.281 174.900 -0.035 0.000 0.979 230 G CA 0.536 45.620 45.100 -0.027 0.000 1.193 230 G HN 0.405 nan 8.290 nan 0.000 0.508 231 L N -0.569 120.630 121.223 -0.040 0.000 2.042 231 L HA 0.009 4.349 4.340 -0.000 0.000 0.210 231 L C 2.436 179.267 176.870 -0.065 0.000 1.076 231 L CA 2.514 57.325 54.840 -0.048 0.000 0.749 231 L CB -0.250 41.783 42.059 -0.044 0.000 0.893 231 L HN 0.393 nan 8.230 nan 0.000 0.432 232 L N -1.605 119.576 121.223 -0.070 0.000 2.185 232 L HA 0.049 4.389 4.340 -0.000 0.000 0.198 232 L C 2.227 179.049 176.870 -0.081 0.000 1.079 232 L CA 1.260 56.042 54.840 -0.098 0.000 0.780 232 L CB -0.962 41.036 42.059 -0.102 0.000 0.955 232 L HN 0.168 nan 8.230 nan 0.000 0.462 233 I N -0.107 120.432 120.570 -0.052 0.000 2.208 233 I HA -0.293 3.877 4.170 -0.000 0.000 0.245 233 I C 1.862 177.972 176.117 -0.012 0.000 1.097 233 I CA 1.842 63.126 61.300 -0.027 0.000 1.363 233 I CB -0.223 37.781 38.000 0.005 0.000 1.051 233 I HN 0.356 nan 8.210 nan 0.000 0.413 234 N N -1.161 117.533 118.700 -0.009 0.000 2.420 234 N HA -0.000 4.740 4.740 -0.000 0.000 0.185 234 N C 1.702 177.198 175.510 -0.022 0.000 1.033 234 N CA 0.552 53.601 53.050 -0.003 0.000 0.879 234 N CB -0.114 38.372 38.487 -0.002 0.000 1.071 234 N HN 0.308 nan 8.380 nan 0.000 0.437 235 Q N -0.109 119.670 119.800 -0.036 0.000 2.137 235 Q HA 0.035 4.375 4.340 -0.000 0.000 0.198 235 Q C 1.255 177.223 176.000 -0.053 0.000 0.960 235 Q CA 1.260 57.039 55.803 -0.040 0.000 0.847 235 Q CB 0.114 28.828 28.738 -0.041 0.000 0.915 235 Q HN 0.367 nan 8.270 nan 0.000 0.448 236 T N 0.799 115.308 114.554 -0.074 0.000 2.901 236 T HA 0.084 4.434 4.350 -0.000 0.000 0.252 236 T C 1.724 176.375 174.700 -0.083 0.000 1.035 236 T CA 0.522 62.563 62.100 -0.098 0.000 1.142 236 T CB 0.105 68.886 68.868 -0.145 0.000 0.869 236 T HN 0.106 nan 8.240 nan 0.000 0.442 237 L N 0.456 121.633 121.223 -0.076 0.000 2.567 237 L HA 0.307 4.647 4.340 -0.000 0.000 0.225 237 L C 1.830 178.677 176.870 -0.038 0.000 1.119 237 L CA 0.237 55.035 54.840 -0.069 0.000 0.871 237 L CB -0.255 41.752 42.059 -0.087 0.000 1.036 237 L HN 0.515 nan 8.230 nan 0.000 0.459 238 G N 0.623 109.409 108.800 -0.025 0.000 2.179 238 G HA2 -0.257 3.702 3.960 -0.000 0.000 0.257 238 G HA3 -0.257 3.702 3.960 -0.000 0.000 0.257 238 G C 0.686 175.591 174.900 0.009 0.000 1.010 238 G CA 0.033 45.129 45.100 -0.006 0.000 0.736 238 G HN 0.511 nan 8.290 nan 0.000 0.513 239 G N -0.425 108.383 108.800 0.014 0.000 2.368 239 G HA2 0.360 4.320 3.960 -0.000 0.000 0.233 239 G HA3 0.360 4.320 3.960 -0.000 0.000 0.233 239 G C 0.442 175.379 174.900 0.063 0.000 1.267 239 G CA -0.121 45.001 45.100 0.036 0.000 0.873 239 G HN 0.694 nan 8.290 nan 0.000 0.539 240 R N 0.619 121.154 120.500 0.059 0.000 2.340 240 R HA 0.261 4.601 4.340 -0.000 0.000 0.300 240 R C -0.716 175.653 176.300 0.114 0.000 1.069 240 R CA -0.414 55.731 56.100 0.075 0.000 0.984 240 R CB 1.041 31.365 30.300 0.040 0.000 1.003 240 R HN 0.449 nan 8.270 nan 0.000 0.459 241 F N 2.250 122.194 119.950 -0.009 0.000 2.408 241 F HA 0.156 4.683 4.527 -0.000 0.000 0.344 241 F C 0.018 175.804 175.800 -0.022 0.000 1.112 241 F CA -0.352 57.634 58.000 -0.023 0.000 1.096 241 F CB 1.398 40.381 39.000 -0.029 0.000 1.129 241 F HN 0.332 nan 8.300 nan 0.000 0.486 242 Q N 5.092 124.524 119.800 -0.614 0.000 2.372 242 Q HA 0.260 4.600 4.340 -0.000 0.000 0.259 242 Q C -0.784 174.931 176.000 -0.476 0.000 0.993 242 Q CA -0.470 55.130 55.803 -0.338 0.000 0.854 242 Q CB 1.314 29.944 28.738 -0.181 0.000 1.231 242 Q HN 0.731 nan 8.270 nan 0.000 0.462 243 S N 3.127 118.775 115.700 -0.087 0.000 2.565 243 S HA 0.262 4.732 4.470 -0.000 0.000 0.276 243 S C 0.099 174.820 174.600 0.201 0.000 1.326 243 S CA -0.404 57.818 58.200 0.036 0.000 1.045 243 S CB 0.297 63.585 63.200 0.147 0.000 0.918 243 S HN 0.615 nan 8.310 nan 0.000 0.505 244 F N 2.168 122.144 119.950 0.043 0.000 2.664 244 F HA 0.266 4.793 4.527 -0.000 0.000 0.303 244 F C 2.229 178.046 175.800 0.029 0.000 1.092 244 F CA -0.511 57.504 58.000 0.025 0.000 1.305 244 F CB -1.175 37.843 39.000 0.031 0.000 1.054 244 F HN 0.477 nan 8.300 nan 0.000 0.565 245 S N 0.641 116.463 115.700 0.203 0.000 2.402 245 S HA -0.223 4.247 4.470 -0.000 0.000 0.233 245 S C 1.841 176.487 174.600 0.077 0.000 1.030 245 S CA 1.745 60.015 58.200 0.116 0.000 1.003 245 S CB -0.366 62.883 63.200 0.082 0.000 0.813 245 S HN 0.540 nan 8.310 nan 0.000 0.477 246 D N 1.638 122.086 120.400 0.079 0.000 2.182 246 D HA -0.119 4.521 4.640 -0.000 0.000 0.201 246 D C 1.811 178.124 176.300 0.020 0.000 0.986 246 D CA 1.647 55.673 54.000 0.044 0.000 0.847 246 D CB -0.622 40.205 40.800 0.045 0.000 0.942 246 D HN 0.552 nan 8.370 nan 0.000 0.467 247 V N -3.041 116.887 119.914 0.024 0.000 3.455 247 V HA 0.322 4.442 4.120 -0.000 0.000 0.250 247 V C 0.838 176.907 176.094 -0.042 0.000 1.230 247 V CA -0.256 62.034 62.300 -0.016 0.000 1.105 247 V CB -0.192 31.610 31.823 -0.035 0.000 0.850 247 V HN 0.022 nan 8.190 nan 0.000 0.461 248 L N 2.511 123.736 121.223 0.005 0.000 2.462 248 L HA 0.504 4.844 4.340 -0.000 0.000 0.255 248 L C -1.854 175.023 176.870 0.012 0.000 1.076 248 L CA -1.175 53.647 54.840 -0.031 0.000 0.920 248 L CB 2.181 44.283 42.059 0.071 0.000 1.214 248 L HN -0.023 nan 8.230 nan 0.000 0.472 249 P HA -0.060 nan 4.420 nan 0.000 0.229 249 P C -0.075 177.267 177.300 0.071 0.000 1.160 249 P CA 0.351 63.469 63.100 0.031 0.000 0.777 249 P CB 0.104 31.829 31.700 0.041 0.000 0.814 250 N N 2.666 121.420 118.700 0.089 0.000 2.411 250 N HA -0.050 4.690 4.740 -0.000 0.000 0.261 250 N C 0.960 176.496 175.510 0.043 0.000 1.248 250 N CA 0.561 53.676 53.050 0.108 0.000 0.885 250 N CB -0.132 38.484 38.487 0.215 0.000 1.062 250 N HN 0.330 nan 8.380 nan 0.000 0.471 251 N N 0.885 119.544 118.700 -0.069 0.000 2.118 251 N HA 0.102 4.842 4.740 -0.000 0.000 0.226 251 N C -0.311 175.086 175.510 -0.189 0.000 1.305 251 N CA -0.054 52.942 53.050 -0.090 0.000 0.890 251 N CB 0.913 39.355 38.487 -0.074 0.000 1.118 251 N HN 0.324 nan 8.380 nan 0.000 0.511 252 R N -0.405 119.864 120.500 -0.384 0.000 2.764 252 R HA 0.850 5.189 4.340 -0.000 0.000 0.270 252 R C -1.613 174.388 176.300 -0.498 0.000 1.014 252 R CA -0.843 54.966 56.100 -0.485 0.000 0.904 252 R CB 2.233 32.084 30.300 -0.749 0.000 1.236 252 R HN 0.129 nan 8.270 nan 0.000 0.466 253 A N 0.802 123.535 122.820 -0.144 0.000 2.549 253 A HA 0.650 4.970 4.320 -0.000 0.000 0.297 253 A C -1.699 175.969 177.584 0.140 0.000 1.061 253 A CA -0.639 51.439 52.037 0.067 0.000 0.690 253 A CB 2.199 21.334 19.000 0.225 0.000 1.287 253 A HN 0.369 nan 8.150 nan 0.000 0.402 254 V N 1.043 121.006 119.914 0.081 0.000 2.604 254 V HA 0.879 4.999 4.120 -0.000 0.000 0.305 254 V C -0.111 175.854 176.094 -0.216 0.000 1.043 254 V CA 0.238 62.436 62.300 -0.169 0.000 0.888 254 V CB 1.411 33.018 31.823 -0.360 0.000 0.995 254 V HN 2.004 nan 8.190 nan 0.000 0.429 255 A N 6.661 129.367 122.820 -0.191 0.000 2.413 255 A HA 0.961 5.281 4.320 -0.000 0.000 0.307 255 A C -1.474 176.036 177.584 -0.125 0.000 1.087 255 A CA -0.716 51.206 52.037 -0.191 0.000 0.750 255 A CB 1.719 20.751 19.000 0.054 0.000 1.296 255 A HN 0.904 nan 8.150 nan 0.000 0.423 256 L N 0.568 121.714 121.223 -0.128 0.000 2.371 256 L HA 0.616 4.956 4.340 -0.000 0.000 0.262 256 L C -0.179 176.686 176.870 -0.009 0.000 1.006 256 L CA -0.691 54.110 54.840 -0.065 0.000 0.818 256 L CB 2.464 44.466 42.059 -0.095 0.000 1.354 256 L HN 0.782 nan 8.230 nan 0.000 0.415 257 R N 1.309 121.818 120.500 0.015 0.000 2.239 257 R HA 0.492 4.832 4.340 -0.000 0.000 0.332 257 R C -1.282 175.023 176.300 0.009 0.000 0.988 257 R CA -0.542 55.579 56.100 0.035 0.000 0.859 257 R CB 1.651 31.985 30.300 0.056 0.000 1.148 257 R HN 0.243 nan 8.270 nan 0.000 0.482 258 V N 5.762 125.675 119.914 -0.001 0.000 2.318 258 V HA 0.242 4.362 4.120 -0.000 0.000 0.271 258 V C -2.039 174.044 176.094 -0.018 0.000 1.030 258 V CA -2.297 59.992 62.300 -0.019 0.000 0.844 258 V CB 1.124 32.925 31.823 -0.037 0.000 1.015 258 V HN 0.563 nan 8.190 nan 0.000 0.460 259 P HA 0.147 nan 4.420 nan 0.000 0.267 259 P C -0.349 176.920 177.300 -0.051 0.000 1.200 259 P CA -0.164 62.920 63.100 -0.028 0.000 0.772 259 P CB 0.549 32.235 31.700 -0.023 0.000 0.855 260 R N 2.466 122.921 120.500 -0.074 0.000 2.229 260 R HA 0.113 4.453 4.340 -0.000 0.000 0.332 260 R C 1.175 177.402 176.300 -0.121 0.000 0.989 260 R CA -0.271 55.768 56.100 -0.102 0.000 0.842 260 R CB 0.273 30.496 30.300 -0.127 0.000 1.119 260 R HN 0.498 nan 8.270 nan 0.000 0.456 261 E N 2.347 122.485 120.200 -0.103 0.000 2.072 261 E HA -0.155 4.195 4.350 -0.000 0.000 0.191 261 E C -0.096 176.421 176.600 -0.137 0.000 0.985 261 E CA 0.787 57.126 56.400 -0.103 0.000 0.801 261 E CB 0.238 29.892 29.700 -0.077 0.000 0.750 261 E HN 0.407 nan 8.360 nan 0.000 0.452 262 N N 1.208 119.818 118.700 -0.150 0.000 2.546 262 N HA -0.007 4.733 4.740 -0.000 0.000 0.238 262 N C -0.244 175.105 175.510 -0.269 0.000 0.984 262 N CA -0.080 52.863 53.050 -0.178 0.000 0.935 262 N CB 1.081 39.491 38.487 -0.128 0.000 1.122 262 N HN -0.046 nan 8.380 nan 0.000 0.510 263 D N 1.619 121.769 120.400 -0.418 0.000 2.172 263 D HA -0.175 4.465 4.640 -0.000 0.000 0.196 263 D C 0.626 176.561 176.300 -0.609 0.000 0.999 263 D CA 1.373 54.894 54.000 -0.798 0.000 0.856 263 D CB 0.461 40.437 40.800 -1.375 0.000 0.934 263 D HN 0.633 nan 8.370 nan 0.000 0.453 264 E N 0.469 120.469 120.200 -0.333 0.000 2.489 264 E HA -0.049 4.301 4.350 -0.000 0.000 0.193 264 E C 0.885 177.427 176.600 -0.096 0.000 1.057 264 E CA 0.116 56.430 56.400 -0.143 0.000 0.866 264 E CB 0.111 29.765 29.700 -0.076 0.000 0.916 264 E HN 0.304 nan 8.360 nan 0.000 0.500 265 D N 0.437 120.758 120.400 -0.130 0.000 2.348 265 D HA -0.063 4.577 4.640 -0.000 0.000 0.216 265 D C 0.883 177.126 176.300 -0.095 0.000 0.970 265 D CA 0.255 54.195 54.000 -0.099 0.000 0.889 265 D CB -0.063 40.675 40.800 -0.104 0.000 0.912 265 D HN 0.193 nan 8.370 nan 0.000 0.524 266 M N 1.406 120.956 119.600 -0.084 0.000 2.390 266 M HA -0.029 4.451 4.480 -0.000 0.000 0.353 266 M C -0.189 176.078 176.300 -0.056 0.000 1.623 266 M CA 0.446 55.722 55.300 -0.040 0.000 1.065 266 M CB 0.250 32.895 32.600 0.074 0.000 2.025 266 M HN -0.293 nan 8.290 nan 0.000 0.461 267 R N 6.863 127.263 120.500 -0.168 0.000 2.368 267 R HA 0.357 4.697 4.340 -0.000 0.000 0.302 267 R C -1.976 174.168 176.300 -0.259 0.000 1.002 267 R CA -1.536 54.349 56.100 -0.357 0.000 0.929 267 R CB 0.621 30.433 30.300 -0.813 0.000 1.073 267 R HN 0.456 nan 8.270 nan 0.000 0.464 268 P HA 0.040 nan 4.420 nan 0.000 0.228 268 P C -1.622 175.837 177.300 0.266 0.000 1.764 268 P CA 0.148 63.323 63.100 0.125 0.000 0.929 268 P CB -0.105 31.661 31.700 0.111 0.000 1.675 269 Y N -4.444 116.020 120.300 0.272 0.000 2.656 269 Y HA 0.591 5.141 4.550 -0.000 0.000 0.334 269 Y C -0.441 175.622 175.900 0.273 0.000 1.179 269 Y CA -1.418 56.855 58.100 0.289 0.000 1.050 269 Y CB 0.058 38.614 38.460 0.161 0.000 1.308 269 Y HN -0.390 nan 8.280 nan 0.000 0.456 270 T N 1.721 116.583 114.554 0.513 0.000 2.909 270 T HA 0.524 4.874 4.350 -0.000 0.000 0.289 270 T C -0.491 174.385 174.700 0.292 0.000 1.005 270 T CA -0.314 61.975 62.100 0.316 0.000 1.084 270 T CB 0.954 70.020 68.868 0.330 0.000 0.975 270 T HN 0.684 nan 8.240 nan 0.000 0.509 271 T N 2.266 116.952 114.554 0.221 0.000 2.823 271 T HA 0.644 4.994 4.350 -0.000 0.000 0.279 271 T C -0.396 174.392 174.700 0.147 0.000 0.998 271 T CA -0.704 61.481 62.100 0.142 0.000 0.994 271 T CB 1.390 70.356 68.868 0.163 0.000 0.960 271 T HN 0.666 nan 8.240 nan 0.000 0.448 272 A N 2.712 125.521 122.820 -0.019 0.000 2.293 272 A HA 0.631 4.951 4.320 -0.000 0.000 0.312 272 A C 0.109 177.985 177.584 0.486 0.000 1.309 272 A CA -0.724 51.458 52.037 0.241 0.000 0.839 272 A CB 0.344 19.153 19.000 -0.318 0.000 1.155 272 A HN 0.700 nan 8.150 nan 0.000 0.501 273 T N 2.580 117.410 114.554 0.460 0.000 2.770 273 T HA 0.543 4.893 4.350 -0.000 0.000 0.297 273 T C 0.496 175.232 174.700 0.060 0.000 0.997 273 T CA 0.037 62.270 62.100 0.221 0.000 0.949 273 T CB 1.176 70.089 68.868 0.076 0.000 0.941 273 T HN 0.983 nan 8.240 nan 0.000 0.457 274 A N 5.755 128.338 122.820 -0.396 0.000 2.511 274 A HA 0.579 4.899 4.320 -0.000 0.000 0.242 274 A C 0.340 177.775 177.584 -0.249 0.000 1.069 274 A CA -0.144 51.499 52.037 -0.656 0.000 0.763 274 A CB 0.017 18.154 19.000 -1.439 0.000 1.001 274 A HN 0.710 nan 8.150 nan 0.000 0.498 275 M N 1.429 121.006 119.600 -0.039 0.000 2.821 275 M HA 0.268 4.748 4.480 -0.000 0.000 0.294 275 M C 1.703 178.100 176.300 0.163 0.000 1.195 275 M CA -0.036 55.207 55.300 -0.095 0.000 0.784 275 M CB 0.987 33.303 32.600 -0.473 0.000 1.755 275 M HN 0.925 nan 8.290 nan 0.000 0.477 276 S N 0.278 116.037 115.700 0.098 0.000 2.399 276 S HA 0.044 4.514 4.470 -0.000 0.000 0.231 276 S C 0.883 175.570 174.600 0.144 0.000 1.022 276 S CA 1.082 59.395 58.200 0.189 0.000 0.983 276 S CB -0.182 63.085 63.200 0.111 0.000 0.803 276 S HN 0.756 nan 8.310 nan 0.000 0.480 277 A N -0.350 122.433 122.820 -0.062 0.000 2.897 277 A HA 0.728 5.048 4.320 -0.000 0.000 0.230 277 A C 0.515 177.459 177.584 -1.068 0.000 0.896 277 A CA -0.095 51.529 52.037 -0.688 0.000 1.114 277 A CB -0.066 18.809 19.000 -0.208 0.000 1.230 277 A HN 1.309 nan 8.150 nan 0.000 0.481 278 G N -0.576 107.763 108.800 -0.768 0.000 2.373 278 G HA2 0.368 4.327 3.960 -0.000 0.000 0.250 278 G HA3 0.368 4.327 3.960 -0.000 0.000 0.250 278 G C -1.294 173.852 174.900 0.410 0.000 1.304 278 G CA 0.040 45.106 45.100 -0.056 0.000 0.948 278 G HN 1.348 nan 8.290 nan 0.000 0.474 279 W N -0.926 120.589 121.300 0.357 0.000 3.075 279 W HA 0.789 5.449 4.660 -0.000 0.000 0.334 279 W C -1.393 175.258 176.519 0.220 0.000 1.243 279 W CA -1.555 55.911 57.345 0.202 0.000 1.170 279 W CB 1.369 31.027 29.460 0.330 0.000 1.452 279 W HN 0.821 nan 8.180 nan 0.000 0.572 280 M N 3.295 122.999 119.600 0.173 0.000 2.321 280 M HA 0.409 4.889 4.480 -0.000 0.000 0.315 280 M C -1.347 175.105 176.300 0.253 0.000 1.052 280 M CA -0.527 54.724 55.300 -0.082 0.000 0.936 280 M CB 2.167 34.627 32.600 -0.232 0.000 1.639 280 M HN 0.529 nan 8.290 nan 0.000 0.433 281 W N 4.556 125.871 121.300 0.025 0.000 2.376 281 W HA 0.725 5.385 4.660 -0.000 0.000 0.322 281 W C -1.668 174.912 176.519 0.103 0.000 1.160 281 W CA -0.530 56.953 57.345 0.230 0.000 1.218 281 W CB 0.497 30.099 29.460 0.236 0.000 1.205 281 W HN 0.555 nan 8.180 nan 0.000 0.559 282 T N 5.708 120.497 114.554 0.392 0.000 2.809 282 T HA 0.512 4.862 4.350 -0.000 0.000 0.284 282 T C -0.691 174.154 174.700 0.241 0.000 0.992 282 T CA -0.454 61.792 62.100 0.243 0.000 0.957 282 T CB 0.720 69.634 68.868 0.078 0.000 0.942 282 T HN 0.417 nan 8.240 nan 0.000 0.439 283 I N 5.280 125.996 120.570 0.243 0.000 2.390 283 I HA 0.304 4.474 4.170 -0.000 0.000 0.283 283 I C -2.478 173.552 176.117 -0.145 0.000 1.016 283 I CA -2.570 58.706 61.300 -0.039 0.000 1.151 283 I CB 2.069 40.119 38.000 0.083 0.000 1.293 283 I HN 0.289 nan 8.210 nan 0.000 0.458 284 P HA 0.268 nan 4.420 nan 0.000 0.280 284 P C -0.522 176.749 177.300 -0.049 0.000 1.300 284 P CA 0.045 63.037 63.100 -0.180 0.000 0.785 284 P CB 0.448 32.025 31.700 -0.205 0.000 0.874 285 L N 2.607 123.863 121.223 0.056 0.000 2.440 285 L HA 0.396 4.736 4.340 -0.000 0.000 0.262 285 L C 1.729 178.717 176.870 0.198 0.000 1.072 285 L CA -0.831 54.104 54.840 0.158 0.000 0.798 285 L CB 0.263 42.423 42.059 0.167 0.000 1.307 285 L HN 0.251 nan 8.230 nan 0.000 0.475 286 F N 0.171 120.170 119.950 0.082 0.000 2.161 286 F HA -0.174 4.353 4.527 0.000 0.000 0.300 286 F C 1.894 177.782 175.800 0.147 0.000 1.089 286 F CA 1.569 59.631 58.000 0.103 0.000 1.282 286 F CB 0.300 39.329 39.000 0.047 0.000 1.010 286 F HN 0.300 nan 8.300 nan 0.000 0.485 287 K N 0.333 120.733 120.400 0.001 0.000 2.477 287 K HA 0.176 4.496 4.320 -0.000 0.000 0.208 287 K C -0.509 176.059 176.600 -0.052 0.000 1.117 287 K CA -0.030 56.190 56.287 -0.112 0.000 1.039 287 K CB 0.864 33.333 32.500 -0.052 0.000 0.937 287 K HN 0.391 nan 8.250 nan 0.000 0.570 288 R N -0.417 120.082 120.500 -0.002 0.000 2.710 288 R HA 0.407 4.746 4.340 -0.000 0.000 0.270 288 R C -1.663 174.645 176.300 0.014 0.000 1.021 288 R CA -0.762 55.341 56.100 0.004 0.000 0.889 288 R CB 1.147 31.467 30.300 0.034 0.000 1.243 288 R HN -0.299 nan 8.270 nan 0.000 0.464 289 D N 0.753 121.155 120.400 0.003 0.000 2.192 289 D HA 0.314 4.954 4.640 -0.000 0.000 0.246 289 D C -0.331 176.004 176.300 0.059 0.000 1.042 289 D CA -0.236 53.773 54.000 0.015 0.000 0.847 289 D CB 2.026 42.815 40.800 -0.019 0.000 1.186 289 D HN 0.697 nan 8.370 nan 0.000 0.461 290 G N 1.851 110.731 108.800 0.133 0.000 2.325 290 G HA2 0.300 4.260 3.960 -0.000 0.000 0.298 290 G HA3 0.300 4.260 3.960 -0.000 0.000 0.298 290 G C -0.056 174.971 174.900 0.211 0.000 1.134 290 G CA -0.488 44.754 45.100 0.237 0.000 0.876 290 G HN 0.338 nan 8.290 nan 0.000 0.452 291 N N 0.316 118.974 118.700 -0.069 0.000 2.272 291 N HA 0.726 5.466 4.740 -0.000 0.000 0.305 291 N C -0.385 174.526 175.510 -1.000 0.000 1.103 291 N CA -0.384 52.380 53.050 -0.476 0.000 0.791 291 N CB 2.614 40.927 38.487 -0.289 0.000 1.356 291 N HN 0.729 nan 8.380 nan 0.000 0.486 292 G N 0.459 108.259 108.800 -1.668 0.000 2.755 292 G HA2 0.308 4.268 3.960 -0.000 0.000 0.297 292 G HA3 0.308 4.268 3.960 -0.000 0.000 0.297 292 G C -2.258 172.066 174.900 -0.960 0.000 1.441 292 G CA -0.314 43.730 45.100 -1.759 0.000 0.964 292 G HN 0.337 nan 8.290 nan 0.000 0.540 293 Y N 2.850 122.787 120.300 -0.604 0.000 2.342 293 Y HA 0.610 5.160 4.550 -0.000 0.000 0.338 293 Y C -0.533 175.284 175.900 -0.138 0.000 0.965 293 Y CA -1.659 56.234 58.100 -0.345 0.000 1.159 293 Y CB 1.539 39.857 38.460 -0.238 0.000 1.157 293 Y HN 0.331 nan 8.280 nan 0.000 0.486 294 V N 9.428 129.352 119.914 0.016 0.000 2.407 294 V HA 0.363 4.483 4.120 -0.000 0.000 0.278 294 V C -0.763 175.360 176.094 0.049 0.000 1.037 294 V CA -0.405 61.856 62.300 -0.066 0.000 0.900 294 V CB 0.155 31.791 31.823 -0.312 0.000 0.983 294 V HN 0.692 nan 8.190 nan 0.000 0.459 295 Y N 1.873 122.076 120.300 -0.161 0.000 2.655 295 Y HA 0.765 5.315 4.550 -0.000 0.000 0.336 295 Y C -0.366 175.508 175.900 -0.043 0.000 1.154 295 Y CA -1.251 56.715 58.100 -0.224 0.000 1.055 295 Y CB 1.790 39.879 38.460 -0.618 0.000 1.295 295 Y HN 0.382 nan 8.280 nan 0.000 0.465 296 S N 0.938 116.741 115.700 0.172 0.000 2.433 296 S HA 0.198 4.668 4.470 -0.000 0.000 0.310 296 S C 0.135 174.887 174.600 0.254 0.000 1.097 296 S CA -0.351 57.968 58.200 0.199 0.000 1.103 296 S CB 0.286 63.741 63.200 0.426 0.000 0.992 296 S HN 0.787 nan 8.310 nan 0.000 0.469 297 D N 3.308 123.776 120.400 0.113 0.000 2.384 297 D HA -0.147 4.492 4.640 -0.000 0.000 0.222 297 D C 1.105 177.440 176.300 0.059 0.000 0.976 297 D CA 0.655 54.744 54.000 0.147 0.000 0.915 297 D CB -0.131 40.717 40.800 0.080 0.000 0.896 297 D HN 0.759 nan 8.370 nan 0.000 0.523 298 E N -1.058 119.146 120.200 0.007 0.000 2.274 298 E HA -0.099 4.251 4.350 -0.000 0.000 0.194 298 E C 0.538 176.907 176.600 -0.386 0.000 0.996 298 E CA 0.608 56.874 56.400 -0.223 0.000 0.840 298 E CB 0.014 29.504 29.700 -0.349 0.000 0.772 298 E HN 0.366 nan 8.360 nan 0.000 0.491 299 F N -0.520 119.482 119.950 0.088 0.000 2.746 299 F HA 0.389 4.916 4.527 -0.000 0.000 0.313 299 F C 0.545 176.369 175.800 0.040 0.000 1.095 299 F CA -0.030 58.021 58.000 0.084 0.000 1.224 299 F CB 1.242 40.338 39.000 0.161 0.000 1.060 299 F HN -0.159 nan 8.300 nan 0.000 0.584 300 I N -0.024 120.649 120.570 0.171 0.000 2.731 300 I HA 0.210 4.380 4.170 -0.000 0.000 0.289 300 I C -0.330 175.791 176.117 0.007 0.000 1.399 300 I CA -0.702 60.621 61.300 0.040 0.000 1.048 300 I CB 1.440 39.402 38.000 -0.064 0.000 1.345 300 I HN -0.048 nan 8.210 nan 0.000 0.425 301 S N 6.205 121.884 115.700 -0.036 0.000 2.593 301 S HA 0.425 4.895 4.470 -0.000 0.000 0.269 301 S C -2.055 172.484 174.600 -0.102 0.000 1.334 301 S CA -0.729 57.458 58.200 -0.022 0.000 1.015 301 S CB 1.139 64.321 63.200 -0.029 0.000 0.912 301 S HN 0.497 nan 8.310 nan 0.000 0.541 302 P HA -0.181 nan 4.420 nan 0.000 0.216 302 P C 1.561 178.836 177.300 -0.042 0.000 1.150 302 P CA 1.544 64.652 63.100 0.013 0.000 0.843 302 P CB -0.059 31.649 31.700 0.014 0.000 0.787 303 E N 0.352 120.514 120.200 -0.063 0.000 2.072 303 E HA -0.187 4.163 4.350 -0.000 0.000 0.190 303 E C 1.775 178.343 176.600 -0.054 0.000 0.982 303 E CA 1.154 57.532 56.400 -0.037 0.000 0.803 303 E CB -0.976 28.699 29.700 -0.041 0.000 0.755 303 E HN 0.304 nan 8.360 nan 0.000 0.453 304 E N 1.466 121.615 120.200 -0.084 0.000 2.085 304 E HA -0.165 4.185 4.350 -0.000 0.000 0.194 304 E C 2.169 178.697 176.600 -0.121 0.000 0.994 304 E CA 1.572 57.922 56.400 -0.083 0.000 0.801 304 E CB -0.221 29.435 29.700 -0.074 0.000 0.743 304 E HN 0.412 nan 8.360 nan 0.000 0.453 305 A N 1.107 123.743 122.820 -0.306 0.000 1.902 305 A HA -0.289 4.031 4.320 -0.000 0.000 0.217 305 A C 2.084 179.582 177.584 -0.142 0.000 1.181 305 A CA 1.764 53.525 52.037 -0.461 0.000 0.623 305 A CB -0.505 17.605 19.000 -1.484 0.000 0.818 305 A HN 0.282 nan 8.150 nan 0.000 0.443 306 E N -0.395 119.749 120.200 -0.095 0.000 2.058 306 E HA -0.228 4.122 4.350 -0.000 0.000 0.194 306 E C 2.316 178.907 176.600 -0.015 0.000 0.997 306 E CA 1.172 57.559 56.400 -0.021 0.000 0.801 306 E CB -0.133 29.612 29.700 0.075 0.000 0.746 306 E HN 0.570 nan 8.360 nan 0.000 0.450 307 R N 0.266 120.758 120.500 -0.014 0.000 2.096 307 R HA -0.196 4.144 4.340 -0.000 0.000 0.240 307 R C 2.502 178.791 176.300 -0.018 0.000 1.139 307 R CA 1.803 57.894 56.100 -0.015 0.000 0.952 307 R CB -0.268 30.024 30.300 -0.014 0.000 0.854 307 R HN 0.328 nan 8.270 nan 0.000 0.436 308 E N 0.534 120.734 120.200 0.000 0.000 2.106 308 E HA -0.192 4.158 4.350 -0.000 0.000 0.192 308 E C 1.962 178.525 176.600 -0.063 0.000 0.984 308 E CA 0.733 57.125 56.400 -0.013 0.000 0.806 308 E CB 0.025 29.752 29.700 0.044 0.000 0.750 308 E HN 0.111 nan 8.360 nan 0.000 0.458 309 L N 1.509 122.718 121.223 -0.023 0.000 2.012 309 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 309 L C 2.303 179.116 176.870 -0.095 0.000 1.073 309 L CA 1.811 56.598 54.840 -0.089 0.000 0.748 309 L CB -0.413 41.614 42.059 -0.053 0.000 0.891 309 L HN 0.017 nan 8.230 nan 0.000 0.431 310 R N -0.966 119.495 120.500 -0.065 0.000 2.073 310 R HA -0.122 4.218 4.340 -0.000 0.000 0.234 310 R C 2.284 178.551 176.300 -0.056 0.000 1.134 310 R CA 1.523 57.589 56.100 -0.057 0.000 0.952 310 R CB -0.585 29.692 30.300 -0.039 0.000 0.850 310 R HN 0.409 nan 8.270 nan 0.000 0.433 311 S N 0.025 115.694 115.700 -0.051 0.000 2.374 311 S HA -0.165 4.305 4.470 -0.000 0.000 0.227 311 S C 1.922 176.485 174.600 -0.061 0.000 1.037 311 S CA 2.045 60.215 58.200 -0.050 0.000 1.024 311 S CB -0.273 62.900 63.200 -0.046 0.000 0.861 311 S HN 0.445 nan 8.310 nan 0.000 0.456 312 T N 1.298 115.802 114.554 -0.082 0.000 2.809 312 T HA -0.012 4.338 4.350 -0.000 0.000 0.260 312 T C 2.028 176.678 174.700 -0.084 0.000 1.039 312 T CA 1.502 63.547 62.100 -0.092 0.000 1.141 312 T CB -0.272 68.516 68.868 -0.132 0.000 0.869 312 T HN 0.467 nan 8.240 nan 0.000 0.437 313 V N -2.012 117.847 119.914 -0.091 0.000 3.523 313 V HA 0.774 4.894 4.120 -0.000 0.000 0.255 313 V C 0.926 176.979 176.094 -0.069 0.000 1.226 313 V CA 0.286 62.535 62.300 -0.084 0.000 1.092 313 V CB -0.045 31.715 31.823 -0.105 0.000 0.817 313 V HN 0.353 nan 8.190 nan 0.000 0.458 314 A N 1.707 124.489 122.820 -0.064 0.000 3.474 314 A HA 0.636 4.956 4.320 -0.000 0.000 0.251 314 A C -2.815 174.743 177.584 -0.042 0.000 1.062 314 A CA -0.889 51.117 52.037 -0.051 0.000 0.945 314 A CB -0.006 18.963 19.000 -0.051 0.000 1.296 314 A HN 0.392 nan 8.150 nan 0.000 0.592 315 P HA 0.281 nan 4.420 nan 0.000 0.268 315 P C 1.075 178.359 177.300 -0.027 0.000 1.205 315 P CA 1.875 64.955 63.100 -0.032 0.000 0.771 315 P CB 1.010 32.691 31.700 -0.031 0.000 0.858 316 G N 3.041 111.828 108.800 -0.022 0.000 2.184 316 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.264 316 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.264 316 G C 0.448 175.338 174.900 -0.017 0.000 0.975 316 G CA -0.225 44.864 45.100 -0.018 0.000 0.642 316 G HN 0.620 nan 8.290 nan 0.000 0.536 317 R N 1.059 121.547 120.500 -0.020 0.000 3.785 317 R HA 0.222 4.562 4.340 -0.000 0.000 0.255 317 R C 1.012 177.304 176.300 -0.014 0.000 1.485 317 R CA 0.208 56.297 56.100 -0.018 0.000 1.555 317 R CB 0.202 30.488 30.300 -0.023 0.000 1.362 317 R HN 0.484 nan 8.270 nan 0.000 0.702 318 D N 0.833 121.227 120.400 -0.009 0.000 2.310 318 D HA -0.213 4.427 4.640 -0.000 0.000 0.212 318 D C 0.999 177.299 176.300 -0.001 0.000 0.965 318 D CA 0.862 54.860 54.000 -0.004 0.000 0.879 318 D CB 0.007 40.805 40.800 -0.002 0.000 0.921 318 D HN 0.419 nan 8.370 nan 0.000 0.510 319 D N 0.757 121.156 120.400 -0.002 0.000 2.309 319 D HA -0.143 4.497 4.640 -0.000 0.000 0.212 319 D C 0.700 177.002 176.300 0.002 0.000 0.968 319 D CA 0.265 54.266 54.000 0.001 0.000 0.882 319 D CB -0.091 40.708 40.800 -0.002 0.000 0.918 319 D HN 0.286 nan 8.370 nan 0.000 0.503 320 L N 1.103 122.325 121.223 -0.002 0.000 2.275 320 L HA 0.266 4.606 4.340 -0.000 0.000 0.288 320 L C 0.511 177.382 176.870 0.001 0.000 1.046 320 L CA -0.560 54.279 54.840 -0.002 0.000 0.805 320 L CB 1.800 43.853 42.059 -0.011 0.000 1.193 320 L HN -0.095 nan 8.230 nan 0.000 0.426 321 E N 2.326 122.532 120.200 0.009 0.000 2.259 321 E HA 0.434 4.784 4.350 -0.000 0.000 0.281 321 E C -0.646 175.957 176.600 0.005 0.000 1.027 321 E CA -0.606 55.804 56.400 0.017 0.000 0.838 321 E CB 1.533 31.250 29.700 0.029 0.000 1.066 321 E HN 0.679 nan 8.360 nan 0.000 0.401 322 A N 4.439 127.260 122.820 0.001 0.000 2.331 322 A HA 0.207 4.527 4.320 -0.000 0.000 0.283 322 A C -0.132 177.430 177.584 -0.037 0.000 1.142 322 A CA -0.549 51.452 52.037 -0.061 0.000 0.812 322 A CB 0.506 19.441 19.000 -0.109 0.000 1.074 322 A HN 0.624 nan 8.150 nan 0.000 0.497 323 N N 1.479 120.133 118.700 -0.077 0.000 2.469 323 N HA 0.200 4.940 4.740 -0.000 0.000 0.253 323 N C -0.985 174.489 175.510 -0.059 0.000 0.970 323 N CA -0.196 52.855 53.050 0.001 0.000 0.940 323 N CB 0.282 38.800 38.487 0.052 0.000 1.128 323 N HN 0.641 nan 8.380 nan 0.000 0.503 324 H N 3.798 122.911 119.070 0.072 0.000 2.489 324 H HA 0.427 4.983 4.556 -0.000 0.000 0.322 324 H C -0.227 175.151 175.328 0.084 0.000 1.091 324 H CA -0.182 55.915 56.048 0.082 0.000 1.291 324 H CB 1.466 31.269 29.762 0.069 0.000 1.436 324 H HN 0.451 nan 8.280 nan 0.000 0.480 325 I N 2.979 123.662 120.570 0.188 0.000 2.534 325 I HA 0.106 4.276 4.170 -0.000 0.000 0.288 325 I C -0.369 175.795 176.117 0.078 0.000 1.077 325 I CA -0.522 60.865 61.300 0.145 0.000 1.051 325 I CB 2.371 40.479 38.000 0.180 0.000 1.234 325 I HN 0.378 nan 8.210 nan 0.000 0.425 326 Q N 6.588 126.408 119.800 0.034 0.000 2.256 326 Q HA 0.602 4.942 4.340 -0.000 0.000 0.254 326 Q C -0.965 174.930 176.000 -0.176 0.000 0.916 326 Q CA -0.375 55.387 55.803 -0.069 0.000 0.932 326 Q CB 2.029 30.720 28.738 -0.080 0.000 1.207 326 Q HN 0.509 nan 8.270 nan 0.000 0.426 327 M N 1.722 121.175 119.600 -0.246 0.000 2.472 327 M HA 0.456 4.936 4.480 -0.000 0.000 0.331 327 M C -0.344 175.587 176.300 -0.615 0.000 1.170 327 M CA -0.613 54.393 55.300 -0.490 0.000 1.009 327 M CB 1.971 34.642 32.600 0.118 0.000 1.672 327 M HN 0.369 nan 8.290 nan 0.000 0.453 328 R N 3.090 122.917 120.500 -1.122 0.000 2.215 328 R HA 0.491 4.830 4.340 -0.000 0.000 0.336 328 R C -1.459 174.850 176.300 0.015 0.000 0.996 328 R CA -0.346 55.425 56.100 -0.549 0.000 0.847 328 R CB 0.616 30.490 30.300 -0.710 0.000 1.127 328 R HN 0.687 nan 8.270 nan 0.000 0.465 329 I N 4.811 125.463 120.570 0.137 0.000 2.330 329 I HA 0.519 4.689 4.170 -0.000 0.000 0.289 329 I C 0.733 176.890 176.117 0.067 0.000 1.001 329 I CA -0.013 61.405 61.300 0.196 0.000 1.193 329 I CB 0.914 39.005 38.000 0.151 0.000 1.345 329 I HN 0.982 nan 8.210 nan 0.000 0.461 330 G N 7.244 115.885 108.800 -0.265 0.000 2.373 330 G HA2 0.232 4.192 3.960 -0.000 0.000 0.250 330 G HA3 0.232 4.192 3.960 -0.000 0.000 0.250 330 G C -1.318 172.928 174.900 -1.089 0.000 1.304 330 G CA -0.905 43.339 45.100 -1.426 0.000 0.948 330 G HN 0.739 nan 8.290 nan 0.000 0.474 331 R N -0.626 119.017 120.500 -1.428 0.000 2.680 331 R HA 0.572 4.912 4.340 -0.000 0.000 0.269 331 R C -1.056 174.732 176.300 -0.853 0.000 1.026 331 R CA -1.043 54.602 56.100 -0.759 0.000 0.889 331 R CB 0.949 31.053 30.300 -0.327 0.000 1.241 331 R HN 0.413 nan 8.270 nan 0.000 0.463 332 N N 2.105 120.641 118.700 -0.274 0.000 2.454 332 N HA -0.098 4.642 4.740 -0.000 0.000 0.260 332 N C 0.742 176.191 175.510 -0.101 0.000 1.218 332 N CA 0.481 53.488 53.050 -0.073 0.000 0.904 332 N CB 1.103 39.648 38.487 0.098 0.000 1.065 332 N HN 0.824 nan 8.380 nan 0.000 0.462 333 E N 3.318 123.472 120.200 -0.076 0.000 2.113 333 E HA -0.246 4.104 4.350 -0.000 0.000 0.210 333 E C -0.345 176.241 176.600 -0.022 0.000 1.040 333 E CA 1.474 57.849 56.400 -0.043 0.000 0.847 333 E CB 0.301 29.991 29.700 -0.017 0.000 0.755 333 E HN 0.483 nan 8.360 nan 0.000 0.459 334 R N -0.899 119.606 120.500 0.009 0.000 2.575 334 R HA 0.169 4.509 4.340 -0.000 0.000 0.293 334 R C 0.523 176.874 176.300 0.086 0.000 0.983 334 R CA 0.384 56.510 56.100 0.044 0.000 0.887 334 R CB 1.747 32.075 30.300 0.047 0.000 1.184 334 R HN 0.121 nan 8.270 nan 0.000 0.445 335 T N -1.721 112.914 114.554 0.135 0.000 3.081 335 T HA 0.074 4.424 4.350 -0.000 0.000 0.250 335 T C 0.151 174.999 174.700 0.247 0.000 1.100 335 T CA 0.023 62.222 62.100 0.164 0.000 1.038 335 T CB 0.324 69.286 68.868 0.157 0.000 0.962 335 T HN 0.460 nan 8.240 nan 0.000 0.516 336 W N 2.037 123.380 121.300 0.072 0.000 2.424 336 W HA 0.689 5.349 4.660 -0.000 0.000 0.318 336 W C -2.009 174.475 176.519 -0.057 0.000 1.016 336 W CA -2.895 54.449 57.345 -0.001 0.000 1.268 336 W CB 0.442 29.893 29.460 -0.016 0.000 1.297 336 W HN 0.076 nan 8.180 nan 0.000 0.428 337 I N 7.929 128.684 120.570 0.310 0.000 2.466 337 I HA 0.205 4.375 4.170 -0.000 0.000 0.289 337 I C 0.365 176.408 176.117 -0.122 0.000 1.026 337 I CA -0.585 60.748 61.300 0.054 0.000 1.078 337 I CB 1.712 39.700 38.000 -0.020 0.000 1.249 337 I HN 0.438 nan 8.210 nan 0.000 0.429 338 N N 3.817 122.288 118.700 -0.381 0.000 1.241 338 N HA -0.301 4.439 4.740 -0.000 0.000 0.135 338 N C 0.414 175.260 175.510 -1.106 0.000 0.723 338 N CA 2.048 54.390 53.050 -1.180 0.000 0.950 338 N CB -0.784 36.830 38.487 -1.455 0.000 1.215 338 N HN 0.900 nan 8.380 nan 0.000 0.520 339 N N 0.651 118.623 118.700 -1.214 0.000 2.376 339 N HA 0.249 4.989 4.740 -0.000 0.000 0.249 339 N C -0.574 174.854 175.510 -0.137 0.000 1.140 339 N CA -0.210 52.464 53.050 -0.627 0.000 0.870 339 N CB -0.364 37.791 38.487 -0.553 0.000 1.124 339 N HN 0.570 nan 8.380 nan 0.000 0.505 340 C N 0.591 119.783 119.300 -0.181 0.000 2.441 340 C HA 0.711 5.170 4.460 -0.000 0.000 0.318 340 C C -0.833 173.975 174.990 -0.303 0.000 1.222 340 C CA -0.400 58.520 59.018 -0.163 0.000 1.474 340 C CB 0.537 28.203 27.740 -0.124 0.000 2.125 340 C HN 0.179 nan 8.230 nan 0.000 0.479 341 V N 5.880 125.557 119.914 -0.394 0.000 2.409 341 V HA 0.697 4.817 4.120 -0.000 0.000 0.291 341 V C 0.627 176.621 176.094 -0.167 0.000 1.020 341 V CA -0.318 61.739 62.300 -0.405 0.000 0.848 341 V CB 1.261 32.656 31.823 -0.713 0.000 0.990 341 V HN 1.147 nan 8.190 nan 0.000 0.430 342 A N 4.812 127.600 122.820 -0.054 0.000 2.328 342 A HA 0.753 5.073 4.320 -0.000 0.000 0.284 342 A C -0.447 177.135 177.584 -0.004 0.000 1.160 342 A CA -0.308 51.717 52.037 -0.019 0.000 0.818 342 A CB 0.774 19.788 19.000 0.024 0.000 1.087 342 A HN 0.732 nan 8.150 nan 0.000 0.504 343 V N 2.662 122.559 119.914 -0.028 0.000 2.531 343 V HA 0.747 4.867 4.120 -0.000 0.000 0.301 343 V C 0.791 176.868 176.094 -0.027 0.000 1.034 343 V CA 0.738 63.022 62.300 -0.027 0.000 0.865 343 V CB 0.716 32.502 31.823 -0.062 0.000 0.995 343 V HN 2.108 nan 8.190 nan 0.000 0.424 344 G N 3.471 112.276 108.800 0.008 0.000 2.475 344 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.223 344 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.223 344 G C 0.422 175.354 174.900 0.054 0.000 1.201 344 G CA -0.014 45.098 45.100 0.020 0.000 0.962 344 G HN 0.645 nan 8.290 nan 0.000 0.586 345 L N 1.724 122.916 121.223 -0.052 0.000 2.201 345 L HA -0.039 4.301 4.340 -0.000 0.000 0.212 345 L C 3.302 180.193 176.870 0.036 0.000 1.105 345 L CA 2.247 57.030 54.840 -0.095 0.000 0.775 345 L CB -0.662 40.988 42.059 -0.682 0.000 0.913 345 L HN 0.799 nan 8.230 nan 0.000 0.440 346 S N 0.059 115.752 115.700 -0.012 0.000 2.419 346 S HA -0.171 4.298 4.470 -0.000 0.000 0.235 346 S C 2.000 176.666 174.600 0.109 0.000 1.019 346 S CA 0.989 59.208 58.200 0.031 0.000 0.982 346 S CB -0.244 62.949 63.200 -0.012 0.000 0.789 346 S HN 0.401 nan 8.310 nan 0.000 0.490 347 A N 1.425 124.317 122.820 0.119 0.000 1.901 347 A HA 0.782 5.102 4.320 -0.000 0.000 0.210 347 A C 1.039 178.732 177.584 0.182 0.000 1.208 347 A CA 0.734 52.847 52.037 0.126 0.000 0.644 347 A CB -0.263 18.773 19.000 0.061 0.000 0.863 347 A HN 1.264 nan 8.150 nan 0.000 0.454 348 A N -2.264 120.694 122.820 0.230 0.000 2.597 348 A HA 0.613 4.933 4.320 -0.000 0.000 0.292 348 A C -1.700 176.184 177.584 0.500 0.000 1.057 348 A CA -0.290 51.899 52.037 0.253 0.000 0.674 348 A CB 0.596 19.571 19.000 -0.041 0.000 1.278 348 A HN 1.153 nan 8.150 nan 0.000 0.416 349 F N 0.305 120.446 119.950 0.318 0.000 2.654 349 F HA 0.589 5.116 4.527 -0.000 0.000 0.314 349 F C -1.017 175.012 175.800 0.381 0.000 1.116 349 F CA -0.287 57.967 58.000 0.423 0.000 1.017 349 F CB 1.809 41.124 39.000 0.525 0.000 1.285 349 F HN 1.182 nan 8.300 nan 0.000 0.448 350 V N 1.803 121.508 119.914 -0.349 0.000 3.074 350 V HA 0.646 4.766 4.120 -0.000 0.000 0.314 350 V C -0.544 175.082 176.094 -0.780 0.000 1.117 350 V CA -0.979 61.145 62.300 -0.294 0.000 1.014 350 V CB 1.657 33.584 31.823 0.174 0.000 1.057 350 V HN 0.914 nan 8.190 nan 0.000 0.438 351 E N 2.904 122.954 120.200 -0.250 0.000 2.467 351 E HA 0.125 4.475 4.350 -0.000 0.000 0.264 351 E C -2.001 174.698 176.600 0.166 0.000 1.020 351 E CA -1.027 55.405 56.400 0.053 0.000 0.945 351 E CB 0.320 30.277 29.700 0.429 0.000 0.942 351 E HN 0.635 nan 8.360 nan 0.000 0.449 352 P HA -0.019 nan 4.420 nan 0.000 0.258 352 P C 0.719 178.281 177.300 0.438 0.000 1.559 352 P CA -0.073 63.234 63.100 0.345 0.000 0.855 352 P CB -0.024 31.837 31.700 0.269 0.000 1.594 353 L N 0.429 121.823 121.223 0.285 0.000 2.131 353 L HA -0.060 4.280 4.340 -0.000 0.000 0.210 353 L C 1.403 178.196 176.870 -0.128 0.000 1.092 353 L CA 1.986 56.643 54.840 -0.306 0.000 0.759 353 L CB -0.464 41.272 42.059 -0.538 0.000 0.903 353 L HN -0.090 nan 8.230 nan 0.000 0.435 354 E N -0.490 119.739 120.200 0.047 0.000 2.789 354 E HA 0.173 4.523 4.350 -0.000 0.000 0.208 354 E C 0.239 177.065 176.600 0.377 0.000 0.988 354 E CA 0.641 57.187 56.400 0.243 0.000 1.092 354 E CB 0.033 29.922 29.700 0.315 0.000 1.066 354 E HN 0.467 nan 8.360 nan 0.000 0.465 355 S N 0.071 115.924 115.700 0.255 0.000 3.292 355 S HA -0.215 4.255 4.470 -0.000 0.000 0.360 355 S C 0.909 175.623 174.600 0.190 0.000 0.930 355 S CA 0.994 59.327 58.200 0.221 0.000 1.317 355 S CB -2.446 60.889 63.200 0.226 0.000 0.920 355 S HN 0.344 nan 8.310 nan 0.000 0.540 356 T N -2.086 112.477 114.554 0.016 0.000 3.060 356 T HA 0.399 4.749 4.350 -0.000 0.000 0.249 356 T C 2.041 176.401 174.700 -0.566 0.000 1.079 356 T CA 0.532 62.424 62.100 -0.347 0.000 1.013 356 T CB -0.063 68.487 68.868 -0.529 0.000 0.975 356 T HN 0.841 nan 8.240 nan 0.000 0.518 357 G N 2.418 111.097 108.800 -0.202 0.000 2.480 357 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.216 357 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.216 357 G C 1.291 176.162 174.900 -0.048 0.000 1.200 357 G CA 0.921 46.011 45.100 -0.018 0.000 0.782 357 G HN 0.497 nan 8.290 nan 0.000 0.554 358 I N 0.028 120.563 120.570 -0.059 0.000 2.394 358 I HA -0.014 4.156 4.170 -0.000 0.000 0.251 358 I C 2.284 178.307 176.117 -0.157 0.000 1.136 358 I CA 0.599 61.857 61.300 -0.071 0.000 1.425 358 I CB -0.291 37.726 38.000 0.027 0.000 1.079 358 I HN 0.243 nan 8.210 nan 0.000 0.425 359 F N 1.059 120.747 119.950 -0.437 0.000 2.102 359 F HA -0.263 4.264 4.527 -0.000 0.000 0.298 359 F C 2.147 177.869 175.800 -0.131 0.000 1.105 359 F CA 1.560 59.233 58.000 -0.545 0.000 1.239 359 F CB -0.621 37.530 39.000 -1.415 0.000 0.991 359 F HN -0.048 nan 8.300 nan 0.000 0.474 360 F N 1.022 120.660 119.950 -0.521 0.000 2.120 360 F HA -0.221 4.306 4.527 -0.000 0.000 0.300 360 F C 2.436 178.057 175.800 -0.299 0.000 1.095 360 F CA 1.156 58.901 58.000 -0.425 0.000 1.249 360 F CB -1.500 37.435 39.000 -0.107 0.000 0.995 360 F HN 0.078 nan 8.300 nan 0.000 0.480 361 I N -0.464 120.079 120.570 -0.046 0.000 2.133 361 I HA -0.329 3.841 4.170 -0.000 0.000 0.238 361 I C 2.631 178.608 176.117 -0.235 0.000 1.074 361 I CA 1.552 62.777 61.300 -0.126 0.000 1.342 361 I CB -0.651 37.259 38.000 -0.150 0.000 1.053 361 I HN 0.153 nan 8.210 nan 0.000 0.404 362 Q N 0.376 119.988 119.800 -0.312 0.000 2.045 362 Q HA -0.340 3.999 4.340 -0.000 0.000 0.206 362 Q C 2.303 178.149 176.000 -0.256 0.000 0.991 362 Q CA 2.324 57.915 55.803 -0.354 0.000 0.851 362 Q CB -0.214 28.358 28.738 -0.276 0.000 0.911 362 Q HN 0.525 nan 8.270 nan 0.000 0.418 363 H N -0.408 118.464 119.070 -0.329 0.000 2.353 363 H HA -0.010 4.546 4.556 -0.000 0.000 0.300 363 H C 1.740 176.963 175.328 -0.175 0.000 1.090 363 H CA 1.877 57.774 56.048 -0.252 0.000 1.327 363 H CB -0.248 29.284 29.762 -0.382 0.000 1.383 363 H HN 0.403 nan 8.280 nan 0.000 0.508 364 A N 0.352 123.049 122.820 -0.204 0.000 1.933 364 A HA -0.109 4.211 4.320 -0.000 0.000 0.218 364 A C 2.503 180.064 177.584 -0.040 0.000 1.175 364 A CA 1.679 53.646 52.037 -0.117 0.000 0.628 364 A CB -0.702 18.274 19.000 -0.040 0.000 0.814 364 A HN 0.507 nan 8.150 nan 0.000 0.444 365 I N -0.919 119.549 120.570 -0.171 0.000 2.333 365 I HA -0.184 3.986 4.170 -0.000 0.000 0.246 365 I C 2.471 178.407 176.117 -0.303 0.000 1.106 365 I CA 1.218 62.386 61.300 -0.220 0.000 1.411 365 I CB -0.383 37.414 38.000 -0.337 0.000 1.082 365 I HN 0.391 nan 8.210 nan 0.000 0.420 366 E N 0.435 120.374 120.200 -0.436 0.000 2.077 366 E HA -0.232 4.118 4.350 -0.000 0.000 0.193 366 E C 2.183 178.733 176.600 -0.083 0.000 0.989 366 E CA 0.940 57.123 56.400 -0.361 0.000 0.800 366 E CB 0.009 29.530 29.700 -0.299 0.000 0.746 366 E HN 0.399 nan 8.360 nan 0.000 0.452 367 Q N 0.236 119.985 119.800 -0.085 0.000 2.230 367 Q HA -0.108 4.232 4.340 -0.000 0.000 0.202 367 Q C 2.234 178.553 176.000 0.531 0.000 0.963 367 Q CA 0.591 56.498 55.803 0.172 0.000 0.866 367 Q CB -0.138 28.530 28.738 -0.117 0.000 0.931 367 Q HN 0.239 nan 8.270 nan 0.000 0.452 368 L N -0.226 121.228 121.223 0.385 0.000 2.109 368 L HA -0.077 4.263 4.340 -0.000 0.000 0.207 368 L C 2.053 179.132 176.870 0.348 0.000 1.086 368 L CA 1.145 56.128 54.840 0.238 0.000 0.760 368 L CB -0.473 41.594 42.059 0.013 0.000 0.910 368 L HN -0.099 nan 8.230 nan 0.000 0.437 369 V N 0.065 120.127 119.914 0.246 0.000 2.295 369 V HA -0.283 3.837 4.120 -0.000 0.000 0.246 369 V C 2.616 178.897 176.094 0.312 0.000 1.049 369 V CA 2.022 64.458 62.300 0.227 0.000 1.024 369 V CB -0.652 31.214 31.823 0.072 0.000 0.648 369 V HN 0.462 nan 8.190 nan 0.000 0.447 370 K N -0.536 120.011 120.400 0.245 0.000 2.147 370 K HA -0.155 4.165 4.320 -0.000 0.000 0.205 370 K C 1.475 178.115 176.600 0.067 0.000 1.049 370 K CA 1.522 57.891 56.287 0.137 0.000 0.936 370 K CB -0.228 32.310 32.500 0.064 0.000 0.722 370 K HN 0.595 nan 8.250 nan 0.000 0.446 371 H N -1.159 118.084 119.070 0.290 0.000 2.507 371 H HA 0.135 4.691 4.556 -0.000 0.000 0.294 371 H C -0.571 174.948 175.328 0.319 0.000 1.064 371 H CA -0.579 55.640 56.048 0.284 0.000 1.138 371 H CB -0.354 29.632 29.762 0.373 0.000 1.515 371 H HN -0.029 nan 8.280 nan 0.000 0.547 372 F N 4.107 124.196 119.950 0.231 0.000 2.572 372 F HA 0.127 4.654 4.527 -0.000 0.000 0.370 372 F C -1.814 174.021 175.800 0.058 0.000 1.103 372 F CA -2.361 55.739 58.000 0.167 0.000 1.286 372 F CB 0.649 39.770 39.000 0.203 0.000 1.105 372 F HN 0.105 nan 8.300 nan 0.000 0.583 373 P HA 0.325 nan 4.420 nan 0.000 0.284 373 P C -0.452 176.532 177.300 -0.526 0.000 1.258 373 P CA -0.398 62.390 63.100 -0.519 0.000 0.824 373 P CB 1.450 32.587 31.700 -0.939 0.000 1.038 374 G N 0.839 109.411 108.800 -0.380 0.000 2.557 374 G HA2 0.146 4.106 3.960 -0.000 0.000 0.302 374 G HA3 0.146 4.106 3.960 -0.000 0.000 0.302 374 G C 0.582 175.254 174.900 -0.380 0.000 1.311 374 G CA -0.453 44.479 45.100 -0.280 0.000 1.030 374 G HN 0.481 nan 8.290 nan 0.000 0.509 375 E N -0.541 119.557 120.200 -0.170 0.000 2.267 375 E HA -0.168 4.182 4.350 -0.000 0.000 0.197 375 E C 2.529 179.197 176.600 0.114 0.000 0.998 375 E CA 0.959 57.347 56.400 -0.020 0.000 0.830 375 E CB 0.025 29.744 29.700 0.032 0.000 0.751 375 E HN 0.541 nan 8.360 nan 0.000 0.491 376 R N -0.128 120.394 120.500 0.038 0.000 2.189 376 R HA -0.126 4.214 4.340 -0.000 0.000 0.218 376 R C 0.013 176.455 176.300 0.236 0.000 1.074 376 R CA 0.692 56.855 56.100 0.106 0.000 0.991 376 R CB -0.671 29.651 30.300 0.037 0.000 0.883 376 R HN 0.132 nan 8.270 nan 0.000 0.457 377 W N 2.600 123.936 121.300 0.059 0.000 6.351 377 W HA -0.189 4.471 4.660 -0.000 0.000 0.403 377 W C -0.479 176.056 176.519 0.026 0.000 1.540 377 W CA 0.841 58.245 57.345 0.098 0.000 1.055 377 W CB -2.041 27.592 29.460 0.288 0.000 2.721 377 W HN 0.266 nan 8.180 nan 0.000 1.542 378 D N 1.423 121.880 120.400 0.096 0.000 2.854 378 D HA -0.091 4.549 4.640 -0.000 0.000 0.243 378 D C -0.239 176.061 176.300 0.000 0.000 1.243 378 D CA -0.282 53.741 54.000 0.039 0.000 0.883 378 D CB 0.858 41.656 40.800 -0.003 0.000 1.145 378 D HN 0.092 nan 8.370 nan 0.000 0.555 379 P HA -0.090 nan 4.420 nan 0.000 0.229 379 P C 1.492 178.755 177.300 -0.063 0.000 1.160 379 P CA 0.169 63.248 63.100 -0.034 0.000 0.777 379 P CB 0.355 32.063 31.700 0.014 0.000 0.814 380 V N 0.190 120.087 119.914 -0.029 0.000 2.379 380 V HA -0.184 3.936 4.120 -0.000 0.000 0.245 380 V C 2.554 178.642 176.094 -0.011 0.000 1.044 380 V CA 1.273 63.563 62.300 -0.015 0.000 1.036 380 V CB -1.234 30.592 31.823 0.005 0.000 0.664 380 V HN 0.040 nan 8.190 nan 0.000 0.453 381 L N -0.073 121.140 121.223 -0.016 0.000 2.083 381 L HA -0.099 4.241 4.340 -0.000 0.000 0.209 381 L C 2.143 178.993 176.870 -0.033 0.000 1.083 381 L CA 1.804 56.665 54.840 0.036 0.000 0.752 381 L CB -0.439 41.629 42.059 0.015 0.000 0.899 381 L HN 0.209 nan 8.230 nan 0.000 0.433 382 I N -0.892 119.512 120.570 -0.277 0.000 2.179 382 I HA -0.303 3.867 4.170 -0.000 0.000 0.242 382 I C 2.552 178.523 176.117 -0.243 0.000 1.088 382 I CA 1.553 62.509 61.300 -0.574 0.000 1.357 382 I CB -0.483 37.028 38.000 -0.815 0.000 1.051 382 I HN 0.460 nan 8.210 nan 0.000 0.409 383 S N 0.996 116.615 115.700 -0.136 0.000 2.428 383 S HA -0.015 4.455 4.470 -0.000 0.000 0.230 383 S C 2.150 176.728 174.600 -0.036 0.000 1.014 383 S CA 0.641 58.798 58.200 -0.071 0.000 0.957 383 S CB -0.285 62.882 63.200 -0.055 0.000 0.784 383 S HN 0.369 nan 8.310 nan 0.000 0.499 384 A N 0.717 123.541 122.820 0.006 0.000 1.930 384 A HA 0.024 4.344 4.320 -0.000 0.000 0.217 384 A C 1.988 179.540 177.584 -0.053 0.000 1.175 384 A CA 1.317 53.380 52.037 0.043 0.000 0.627 384 A CB -1.228 17.874 19.000 0.170 0.000 0.815 384 A HN 0.667 nan 8.150 nan 0.000 0.443 385 Y N 1.424 121.551 120.300 -0.289 0.000 2.097 385 Y HA -0.261 4.289 4.550 -0.000 0.000 0.282 385 Y C 2.300 178.095 175.900 -0.174 0.000 1.152 385 Y CA 2.255 60.087 58.100 -0.447 0.000 1.136 385 Y CB -0.240 38.074 38.460 -0.244 0.000 0.975 385 Y HN 0.318 nan 8.280 nan 0.000 0.498 386 N N 0.443 119.155 118.700 0.019 0.000 2.120 386 N HA -0.185 4.555 4.740 -0.000 0.000 0.188 386 N C 1.783 177.204 175.510 -0.149 0.000 1.024 386 N CA 1.536 54.570 53.050 -0.026 0.000 0.852 386 N CB -0.358 38.144 38.487 0.026 0.000 1.003 386 N HN 0.527 nan 8.380 nan 0.000 0.424 387 E N 0.963 121.062 120.200 -0.168 0.000 2.051 387 E HA -0.118 4.232 4.350 -0.000 0.000 0.192 387 E C 2.045 178.466 176.600 -0.297 0.000 0.991 387 E CA 0.720 56.952 56.400 -0.281 0.000 0.799 387 E CB -0.038 29.524 29.700 -0.229 0.000 0.748 387 E HN 0.338 nan 8.360 nan 0.000 0.449 388 R N -0.157 120.254 120.500 -0.149 0.000 2.083 388 R HA -0.116 4.223 4.340 -0.000 0.000 0.237 388 R C 2.432 178.722 176.300 -0.017 0.000 1.137 388 R CA 1.610 57.707 56.100 -0.004 0.000 0.951 388 R CB -0.149 30.127 30.300 -0.040 0.000 0.851 388 R HN 0.169 nan 8.270 nan 0.000 0.434 389 M N -0.272 119.195 119.600 -0.220 0.000 2.175 389 M HA -0.041 4.439 4.480 -0.000 0.000 0.264 389 M C 2.427 178.653 176.300 -0.124 0.000 1.063 389 M CA 1.386 56.566 55.300 -0.200 0.000 1.119 389 M CB -0.985 31.427 32.600 -0.313 0.000 1.377 389 M HN 0.184 nan 8.290 nan 0.000 0.415 390 A N -0.096 122.643 122.820 -0.134 0.000 1.883 390 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 390 A C 2.011 179.602 177.584 0.012 0.000 1.186 390 A CA 1.670 53.646 52.037 -0.101 0.000 0.624 390 A CB -1.040 17.857 19.000 -0.172 0.000 0.822 390 A HN 0.447 nan 8.150 nan 0.000 0.444 391 H N -0.953 118.162 119.070 0.076 0.000 2.353 391 H HA -0.130 4.426 4.556 -0.000 0.000 0.300 391 H C 2.071 177.538 175.328 0.231 0.000 1.090 391 H CA 1.750 57.938 56.048 0.232 0.000 1.327 391 H CB -0.545 29.379 29.762 0.270 0.000 1.383 391 H HN 0.630 nan 8.280 nan 0.000 0.508 392 M N 0.406 120.190 119.600 0.307 0.000 2.080 392 M HA -0.168 4.312 4.480 -0.000 0.000 0.260 392 M C 1.873 178.294 176.300 0.202 0.000 1.068 392 M CA 1.727 57.184 55.300 0.263 0.000 1.109 392 M CB -0.047 32.640 32.600 0.144 0.000 1.342 392 M HN 0.041 nan 8.290 nan 0.000 0.405 393 V N 0.422 120.336 119.914 0.000 0.000 2.407 393 V HA -0.196 3.924 4.120 -0.000 0.000 0.245 393 V C 1.789 177.950 176.094 0.111 0.000 1.041 393 V CA 1.772 64.072 62.300 -0.000 0.000 1.040 393 V CB -0.905 30.843 31.823 -0.125 0.000 0.671 393 V HN 0.427 nan 8.190 nan 0.000 0.455 394 D N 1.015 121.432 120.400 0.028 0.000 2.178 394 D HA -0.102 4.538 4.640 -0.000 0.000 0.201 394 D C 2.201 178.253 176.300 -0.414 0.000 0.980 394 D CA 1.572 55.498 54.000 -0.122 0.000 0.842 394 D CB -0.454 40.357 40.800 0.019 0.000 0.948 394 D HN 0.459 nan 8.370 nan 0.000 0.472 395 G N 0.610 108.997 108.800 -0.688 0.000 2.421 395 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.216 395 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.216 395 G C 1.850 176.613 174.900 -0.228 0.000 1.171 395 G CA 0.698 45.120 45.100 -1.130 0.000 0.775 395 G HN 0.242 nan 8.290 nan 0.000 0.543 396 V N 1.004 121.023 119.914 0.174 0.000 2.427 396 V HA -0.146 3.974 4.120 -0.000 0.000 0.248 396 V C 2.656 178.852 176.094 0.171 0.000 1.051 396 V CA 2.173 64.700 62.300 0.379 0.000 1.048 396 V CB -0.391 31.817 31.823 0.642 0.000 0.666 396 V HN 0.457 nan 8.190 nan 0.000 0.456 397 K N 0.252 120.685 120.400 0.056 0.000 2.032 397 K HA -0.270 4.050 4.320 -0.000 0.000 0.209 397 K C 2.206 178.747 176.600 -0.099 0.000 1.048 397 K CA 2.139 58.372 56.287 -0.089 0.000 0.927 397 K CB -0.169 32.058 32.500 -0.456 0.000 0.712 397 K HN 0.537 nan 8.250 nan 0.000 0.441 398 E N -0.507 119.642 120.200 -0.085 0.000 2.077 398 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 398 E C 1.885 178.486 176.600 0.000 0.000 0.989 398 E CA 1.033 57.443 56.400 0.017 0.000 0.800 398 E CB -0.163 29.612 29.700 0.126 0.000 0.746 398 E HN 0.302 nan 8.360 nan 0.000 0.452 399 F N 1.421 121.168 119.950 -0.338 0.000 2.126 399 F HA -0.200 4.327 4.527 -0.000 0.000 0.299 399 F C 1.854 177.406 175.800 -0.415 0.000 1.096 399 F CA 1.312 58.858 58.000 -0.757 0.000 1.255 399 F CB -0.369 38.158 39.000 -0.789 0.000 0.997 399 F HN -0.010 nan 8.300 nan 0.000 0.479 400 L N -0.934 120.080 121.223 -0.350 0.000 2.027 400 L HA -0.208 4.132 4.340 -0.000 0.000 0.206 400 L C 2.403 179.192 176.870 -0.135 0.000 1.074 400 L CA 1.123 55.685 54.840 -0.464 0.000 0.745 400 L CB -1.004 40.923 42.059 -0.221 0.000 0.898 400 L HN -0.039 nan 8.230 nan 0.000 0.433 401 V N 0.128 120.034 119.914 -0.013 0.000 2.392 401 V HA -0.306 3.814 4.120 -0.000 0.000 0.249 401 V C 2.468 178.603 176.094 0.068 0.000 1.059 401 V CA 1.558 63.912 62.300 0.091 0.000 1.051 401 V CB -0.509 31.333 31.823 0.033 0.000 0.658 401 V HN 0.324 nan 8.190 nan 0.000 0.455 402 L N -0.154 121.043 121.223 -0.043 0.000 2.081 402 L HA -0.211 4.129 4.340 -0.000 0.000 0.212 402 L C 2.346 179.097 176.870 -0.199 0.000 1.080 402 L CA 2.104 56.876 54.840 -0.113 0.000 0.754 402 L CB -0.811 41.117 42.059 -0.218 0.000 0.893 402 L HN 0.407 nan 8.230 nan 0.000 0.433 403 H N -2.184 116.585 119.070 -0.502 0.000 2.321 403 H HA -0.145 4.411 4.556 -0.000 0.000 0.300 403 H C 1.933 177.048 175.328 -0.355 0.000 1.087 403 H CA 2.344 57.996 56.048 -0.661 0.000 1.319 403 H CB -0.650 28.518 29.762 -0.990 0.000 1.379 403 H HN 0.372 nan 8.280 nan 0.000 0.501 404 Y N 0.851 121.239 120.300 0.146 0.000 2.242 404 Y HA -0.115 4.435 4.550 -0.000 0.000 0.291 404 Y C 2.166 178.173 175.900 0.179 0.000 1.137 404 Y CA 0.872 59.138 58.100 0.276 0.000 1.181 404 Y CB 0.072 38.633 38.460 0.168 0.000 0.989 404 Y HN 0.023 nan 8.280 nan 0.000 0.527 405 K N -0.507 120.005 120.400 0.187 0.000 2.217 405 K HA 0.027 4.347 4.320 -0.000 0.000 0.202 405 K C 2.219 178.846 176.600 0.045 0.000 1.051 405 K CA 0.992 57.341 56.287 0.104 0.000 0.952 405 K CB -0.726 31.808 32.500 0.056 0.000 0.736 405 K HN 0.415 nan 8.250 nan 0.000 0.453 406 G N 1.205 109.991 108.800 -0.025 0.000 2.453 406 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.215 406 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.215 406 G C 0.532 175.413 174.900 -0.031 0.000 1.147 406 G CA 0.386 45.428 45.100 -0.096 0.000 0.802 406 G HN 0.321 nan 8.290 nan 0.000 0.535 407 A N 0.584 123.454 122.820 0.082 0.000 2.548 407 A HA 0.331 4.651 4.320 -0.000 0.000 0.247 407 A C 1.318 178.950 177.584 0.079 0.000 1.067 407 A CA 0.094 52.216 52.037 0.142 0.000 0.757 407 A CB 0.353 19.549 19.000 0.327 0.000 0.996 407 A HN 0.275 nan 8.150 nan 0.000 0.504 408 Q N 1.222 121.030 119.800 0.014 0.000 2.408 408 Q HA -0.023 4.317 4.340 -0.000 0.000 0.205 408 Q C 0.793 176.785 176.000 -0.014 0.000 0.919 408 Q CA 0.464 56.269 55.803 0.004 0.000 0.932 408 Q CB -0.055 28.675 28.738 -0.013 0.000 1.058 408 Q HN 0.918 nan 8.270 nan 0.000 0.517 409 R N 0.643 121.090 120.500 -0.089 0.000 2.590 409 R HA 0.169 4.509 4.340 -0.000 0.000 0.274 409 R C -0.125 176.174 176.300 -0.003 0.000 1.061 409 R CA 0.325 56.343 56.100 -0.137 0.000 1.081 409 R CB 0.438 30.514 30.300 -0.373 0.000 0.984 409 R HN -0.118 nan 8.270 nan 0.000 0.448 410 E N 0.616 120.843 120.200 0.045 0.000 2.945 410 E HA -0.024 4.326 4.350 -0.000 0.000 0.196 410 E C -0.298 176.384 176.600 0.136 0.000 0.965 410 E CA -0.086 56.397 56.400 0.138 0.000 1.270 410 E CB 0.618 30.376 29.700 0.096 0.000 1.045 410 E HN 0.801 nan 8.360 nan 0.000 0.474 411 D N 0.491 120.958 120.400 0.111 0.000 2.219 411 D HA -0.105 4.535 4.640 -0.000 0.000 0.205 411 D C 1.069 177.458 176.300 0.147 0.000 0.970 411 D CA 0.971 55.030 54.000 0.098 0.000 0.851 411 D CB -0.087 40.742 40.800 0.048 0.000 0.943 411 D HN 0.146 nan 8.370 nan 0.000 0.488 412 T N -4.093 110.605 114.554 0.241 0.000 2.930 412 T HA 0.437 4.787 4.350 -0.000 0.000 0.290 412 T C -2.342 172.464 174.700 0.176 0.000 1.052 412 T CA -1.883 60.349 62.100 0.219 0.000 1.017 412 T CB 2.511 71.539 68.868 0.267 0.000 1.137 412 T HN -0.389 nan 8.240 nan 0.000 0.511 413 P HA -0.093 nan 4.420 nan 0.000 0.217 413 P C 0.980 178.190 177.300 -0.149 0.000 1.148 413 P CA 0.879 64.058 63.100 0.131 0.000 0.828 413 P CB -0.168 31.712 31.700 0.299 0.000 0.783 414 Y N -1.492 118.462 120.300 -0.577 0.000 2.200 414 Y HA -0.166 4.384 4.550 -0.000 0.000 0.290 414 Y C 1.958 177.418 175.900 -0.732 0.000 1.137 414 Y CA 1.498 58.877 58.100 -1.201 0.000 1.163 414 Y CB -0.773 37.055 38.460 -1.054 0.000 0.988 414 Y HN -0.099 nan 8.280 nan 0.000 0.518 415 W N 0.700 121.981 121.300 -0.031 0.000 2.476 415 W HA -0.023 4.637 4.660 -0.000 0.000 0.281 415 W C 2.312 178.796 176.519 -0.057 0.000 1.230 415 W CA 0.973 58.316 57.345 -0.004 0.000 1.287 415 W CB -0.116 29.402 29.460 0.096 0.000 1.108 415 W HN -0.143 nan 8.180 nan 0.000 0.567 416 K N 0.177 120.647 120.400 0.117 0.000 2.057 416 K HA -0.131 4.189 4.320 -0.000 0.000 0.207 416 K C 2.228 178.827 176.600 -0.002 0.000 1.049 416 K CA 1.514 57.843 56.287 0.070 0.000 0.931 416 K CB -0.512 32.035 32.500 0.078 0.000 0.714 416 K HN 0.112 nan 8.250 nan 0.000 0.440 417 A N 1.286 124.044 122.820 -0.105 0.000 1.968 417 A HA -0.004 4.316 4.320 -0.000 0.000 0.217 417 A C 2.289 179.775 177.584 -0.164 0.000 1.169 417 A CA 1.442 53.419 52.037 -0.099 0.000 0.638 417 A CB -0.457 18.522 19.000 -0.035 0.000 0.812 417 A HN 0.312 nan 8.150 nan 0.000 0.446 418 A N -0.157 122.489 122.820 -0.290 0.000 2.070 418 A HA -0.134 4.186 4.320 -0.000 0.000 0.220 418 A C 2.045 179.622 177.584 -0.012 0.000 1.159 418 A CA 1.876 53.780 52.037 -0.221 0.000 0.656 418 A CB -0.351 18.507 19.000 -0.237 0.000 0.800 418 A HN 0.561 nan 8.150 nan 0.000 0.453 419 K N -0.437 119.978 120.400 0.026 0.000 2.186 419 K HA -0.071 4.249 4.320 -0.000 0.000 0.202 419 K C 1.632 178.254 176.600 0.036 0.000 1.052 419 K CA 1.600 57.925 56.287 0.063 0.000 0.965 419 K CB -0.037 32.509 32.500 0.077 0.000 0.746 419 K HN 0.549 nan 8.250 nan 0.000 0.457 420 T N -2.179 112.385 114.554 0.017 0.000 3.054 420 T HA 0.183 4.533 4.350 -0.000 0.000 0.255 420 T C 0.629 175.333 174.700 0.006 0.000 1.035 420 T CA -0.546 61.563 62.100 0.016 0.000 0.941 420 T CB 0.040 68.920 68.868 0.020 0.000 1.026 420 T HN 0.057 nan 8.240 nan 0.000 0.533 421 R N 1.367 121.861 120.500 -0.010 0.000 2.694 421 R HA 0.556 4.896 4.340 -0.000 0.000 0.268 421 R C 0.406 176.703 176.300 -0.005 0.000 1.061 421 R CA -0.044 56.045 56.100 -0.018 0.000 1.133 421 R CB 0.176 30.442 30.300 -0.057 0.000 1.020 421 R HN 0.375 nan 8.270 nan 0.000 0.475 422 A N 4.086 126.904 122.820 -0.002 0.000 2.448 422 A HA 0.234 4.554 4.320 -0.000 0.000 0.239 422 A C -0.105 177.480 177.584 0.001 0.000 1.080 422 A CA 0.225 52.264 52.037 0.003 0.000 0.779 422 A CB 0.407 19.410 19.000 0.005 0.000 1.026 422 A HN 0.743 nan 8.150 nan 0.000 0.499 423 M N 0.956 120.559 119.600 0.006 0.000 2.662 423 M HA 0.391 4.871 4.480 -0.000 0.000 0.310 423 M C -2.315 173.986 176.300 0.001 0.000 1.204 423 M CA -1.748 53.556 55.300 0.007 0.000 0.891 423 M CB 1.869 34.481 32.600 0.021 0.000 1.732 423 M HN 0.429 nan 8.290 nan 0.000 0.467 424 P HA 0.098 nan 4.420 nan 0.000 0.270 424 P C -1.408 175.906 177.300 0.023 0.000 1.223 424 P CA -0.205 62.890 63.100 -0.009 0.000 0.785 424 P CB 0.213 31.895 31.700 -0.029 0.000 0.923 425 D N 0.302 120.720 120.400 0.030 0.000 2.455 425 D HA 0.316 4.956 4.640 -0.000 0.000 0.241 425 D C 1.575 177.910 176.300 0.058 0.000 1.138 425 D CA 1.509 55.533 54.000 0.040 0.000 0.877 425 D CB -0.039 40.786 40.800 0.041 0.000 1.187 425 D HN 0.664 nan 8.370 nan 0.000 0.451 426 G N 0.958 109.786 108.800 0.047 0.000 2.279 426 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.223 426 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.223 426 G C 0.959 175.893 174.900 0.056 0.000 1.015 426 G CA 0.244 45.373 45.100 0.047 0.000 0.621 426 G HN 0.474 nan 8.290 nan 0.000 0.506 427 L N 1.834 123.101 121.223 0.073 0.000 2.056 427 L HA 0.489 4.829 4.340 -0.000 0.000 0.207 427 L C 3.112 180.016 176.870 0.057 0.000 1.078 427 L CA 3.075 57.969 54.840 0.089 0.000 0.749 427 L CB -1.008 41.106 42.059 0.092 0.000 0.901 427 L HN 0.791 nan 8.230 nan 0.000 0.433 428 A N -0.368 122.474 122.820 0.037 0.000 1.917 428 A HA -0.298 4.022 4.320 -0.000 0.000 0.219 428 A C 2.435 180.026 177.584 0.011 0.000 1.182 428 A CA 2.005 54.055 52.037 0.022 0.000 0.633 428 A CB -0.620 18.390 19.000 0.017 0.000 0.819 428 A HN 0.476 nan 8.150 nan 0.000 0.448 429 R N 0.264 120.769 120.500 0.008 0.000 2.075 429 R HA -0.066 4.274 4.340 -0.000 0.000 0.232 429 R C 1.915 178.204 176.300 -0.019 0.000 1.126 429 R CA 2.107 58.203 56.100 -0.006 0.000 0.963 429 R CB -0.484 29.811 30.300 -0.009 0.000 0.858 429 R HN 0.562 nan 8.270 nan 0.000 0.435 430 K N 0.011 120.407 120.400 -0.007 0.000 2.097 430 K HA -0.088 4.232 4.320 -0.000 0.000 0.206 430 K C 1.985 178.577 176.600 -0.013 0.000 1.049 430 K CA 1.690 57.971 56.287 -0.010 0.000 0.933 430 K CB -0.180 32.349 32.500 0.049 0.000 0.717 430 K HN 0.217 nan 8.250 nan 0.000 0.442 431 L N 0.539 121.763 121.223 0.002 0.000 2.131 431 L HA -0.111 4.229 4.340 -0.000 0.000 0.206 431 L C 2.092 178.940 176.870 -0.037 0.000 1.087 431 L CA 1.029 55.860 54.840 -0.015 0.000 0.767 431 L CB -0.338 41.721 42.059 -0.001 0.000 0.917 431 L HN 0.171 nan 8.230 nan 0.000 0.441 432 E N 0.478 120.660 120.200 -0.030 0.000 2.118 432 E HA -0.211 4.139 4.350 -0.000 0.000 0.195 432 E C 2.325 178.888 176.600 -0.063 0.000 0.992 432 E CA 1.096 57.476 56.400 -0.033 0.000 0.804 432 E CB -0.061 29.629 29.700 -0.017 0.000 0.741 432 E HN 0.419 nan 8.360 nan 0.000 0.458 433 L N 0.157 121.319 121.223 -0.101 0.000 2.072 433 L HA -0.130 4.210 4.340 -0.000 0.000 0.205 433 L C 2.371 179.053 176.870 -0.313 0.000 1.079 433 L CA 0.802 55.510 54.840 -0.220 0.000 0.752 433 L CB -0.130 41.788 42.059 -0.236 0.000 0.906 433 L HN 0.030 nan 8.230 nan 0.000 0.436 434 S N -0.188 115.393 115.700 -0.198 0.000 2.469 434 S HA -0.101 4.369 4.470 -0.000 0.000 0.238 434 S C 1.991 176.520 174.600 -0.118 0.000 0.998 434 S CA 0.967 59.070 58.200 -0.162 0.000 0.957 434 S CB -0.149 62.993 63.200 -0.096 0.000 0.764 434 S HN 0.479 nan 8.310 nan 0.000 0.514 435 A N 0.341 123.106 122.820 -0.092 0.000 2.067 435 A HA 0.092 4.412 4.320 -0.000 0.000 0.217 435 A C 2.157 179.717 177.584 -0.040 0.000 1.156 435 A CA 1.352 53.355 52.037 -0.057 0.000 0.683 435 A CB -0.419 18.558 19.000 -0.038 0.000 0.808 435 A HN 0.448 nan 8.150 nan 0.000 0.455 436 S N -1.032 114.640 115.700 -0.047 0.000 2.427 436 S HA 0.111 4.581 4.470 -0.000 0.000 0.224 436 S C 0.614 175.282 174.600 0.114 0.000 1.047 436 S CA 0.766 58.994 58.200 0.047 0.000 0.953 436 S CB -0.092 63.194 63.200 0.144 0.000 0.824 436 S HN 0.838 nan 8.310 nan 0.000 0.502 437 H N -1.509 117.548 119.070 -0.022 0.000 2.935 437 H HA 0.298 4.853 4.556 -0.000 0.000 0.297 437 H C -1.371 173.948 175.328 -0.015 0.000 1.423 437 H CA -0.934 55.102 56.048 -0.019 0.000 1.161 437 H CB -0.219 29.535 29.762 -0.013 0.000 1.841 437 H HN 0.154 nan 8.280 nan 0.000 0.506 438 L N 1.763 123.020 121.223 0.056 0.000 2.456 438 L HA 0.136 4.476 4.340 -0.000 0.000 0.272 438 L C 0.813 177.674 176.870 -0.015 0.000 1.189 438 L CA -0.456 54.385 54.840 0.002 0.000 0.846 438 L CB 0.244 42.338 42.059 0.058 0.000 1.111 438 L HN 0.315 nan 8.230 nan 0.000 0.475 439 L N 2.413 123.607 121.223 -0.049 0.000 2.467 439 L HA 0.059 4.399 4.340 -0.000 0.000 0.270 439 L C -0.088 176.777 176.870 -0.009 0.000 1.205 439 L CA 0.196 55.004 54.840 -0.054 0.000 0.828 439 L CB 0.573 42.602 42.059 -0.050 0.000 1.101 439 L HN 0.736 nan 8.230 nan 0.000 0.479 440 D N -0.995 119.381 120.400 -0.040 0.000 2.732 440 D HA 0.206 4.846 4.640 -0.000 0.000 0.292 440 D C 0.310 176.558 176.300 -0.087 0.000 1.135 440 D CA -0.669 53.316 54.000 -0.025 0.000 1.071 440 D CB 0.509 41.314 40.800 0.008 0.000 1.457 440 D HN 0.301 nan 8.370 nan 0.000 0.547 441 E N -0.807 119.358 120.200 -0.058 0.000 2.187 441 E HA -0.187 4.163 4.350 -0.000 0.000 0.199 441 E C 1.498 178.027 176.600 -0.118 0.000 1.004 441 E CA 1.558 57.912 56.400 -0.077 0.000 0.813 441 E CB -0.150 29.529 29.700 -0.035 0.000 0.736 441 E HN 0.329 nan 8.360 nan 0.000 0.468 442 Q N -0.941 118.796 119.800 -0.104 0.000 2.398 442 Q HA 0.079 4.419 4.340 -0.000 0.000 0.204 442 Q C 1.567 177.479 176.000 -0.147 0.000 0.932 442 Q CA 1.479 57.212 55.803 -0.116 0.000 0.916 442 Q CB 0.455 29.147 28.738 -0.078 0.000 1.024 442 Q HN 0.538 nan 8.270 nan 0.000 0.504 443 T N -3.270 111.186 114.554 -0.163 0.000 3.003 443 T HA 0.274 4.623 4.350 -0.000 0.000 0.261 443 T C 1.178 175.691 174.700 -0.311 0.000 1.003 443 T CA -0.339 61.650 62.100 -0.185 0.000 0.917 443 T CB -0.172 68.629 68.868 -0.111 0.000 1.084 443 T HN 0.204 nan 8.240 nan 0.000 0.522 444 I N -1.216 119.088 120.570 -0.443 0.000 3.418 444 I HA 0.521 4.691 4.170 -0.000 0.000 0.279 444 I C 0.481 176.216 176.117 -0.637 0.000 1.143 444 I CA -1.530 59.257 61.300 -0.856 0.000 0.983 444 I CB 0.257 37.517 38.000 -1.232 0.000 1.558 444 I HN -0.016 nan 8.210 nan 0.000 0.766 445 Y N 3.477 123.250 120.300 -0.879 0.000 2.721 445 Y HA 0.136 4.686 4.550 -0.000 0.000 0.329 445 Y C -1.673 174.052 175.900 -0.291 0.000 1.211 445 Y CA -1.268 56.560 58.100 -0.454 0.000 1.512 445 Y CB 0.432 38.621 38.460 -0.451 0.000 1.249 445 Y HN 0.409 nan 8.280 nan 0.000 0.549 446 P HA -0.025 nan 4.420 nan 0.000 0.240 446 P C -0.993 175.924 177.300 -0.639 0.000 1.190 446 P CA 0.858 63.579 63.100 -0.632 0.000 0.781 446 P CB 0.323 31.544 31.700 -0.798 0.000 0.931 447 Y N -1.148 118.986 120.300 -0.276 0.000 2.496 447 Y HA 0.350 4.900 4.550 -0.000 0.000 0.331 447 Y C 0.639 176.789 175.900 0.416 0.000 1.140 447 Y CA -1.488 56.601 58.100 -0.018 0.000 1.166 447 Y CB 0.132 38.342 38.460 -0.416 0.000 1.249 447 Y HN -0.219 nan 8.280 nan 0.000 0.479 448 Y N 4.334 124.891 120.300 0.427 0.000 2.632 448 Y HA 0.031 4.580 4.550 -0.000 0.000 0.329 448 Y C 0.878 177.058 175.900 0.465 0.000 1.174 448 Y CA 0.212 58.522 58.100 0.350 0.000 1.469 448 Y CB 0.096 38.685 38.460 0.215 0.000 1.242 448 Y HN 0.650 nan 8.280 nan 0.000 0.540 449 H N 3.676 122.581 119.070 -0.274 0.000 2.985 449 H HA 0.292 4.848 4.556 -0.000 0.000 0.246 449 H C 1.151 176.353 175.328 -0.211 0.000 1.181 449 H CA 0.022 56.052 56.048 -0.030 0.000 0.972 449 H CB 0.033 29.902 29.762 0.177 0.000 2.016 449 H HN 0.889 nan 8.280 nan 0.000 0.672 450 G N 0.929 109.013 108.800 -1.194 0.000 2.304 450 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.252 450 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.252 450 G C -0.190 174.027 174.900 -1.138 0.000 1.014 450 G CA 0.470 44.868 45.100 -1.169 0.000 0.619 450 G HN 0.348 nan 8.290 nan 0.000 0.525 451 F N 1.272 120.691 119.950 -0.885 0.000 2.492 451 F HA 0.705 5.232 4.527 -0.000 0.000 0.327 451 F C 0.716 176.246 175.800 -0.451 0.000 1.079 451 F CA -0.858 56.744 58.000 -0.663 0.000 0.967 451 F CB 1.517 40.067 39.000 -0.749 0.000 1.169 451 F HN 0.078 nan 8.300 nan 0.000 0.472 452 E N -0.074 120.067 120.200 -0.098 0.000 2.285 452 E HA 0.269 4.619 4.350 -0.000 0.000 0.254 452 E C 0.587 177.230 176.600 0.072 0.000 1.011 452 E CA -0.549 55.850 56.400 -0.002 0.000 0.873 452 E CB 1.207 30.939 29.700 0.054 0.000 1.229 452 E HN 0.594 nan 8.360 nan 0.000 0.422 453 T N 0.187 114.797 114.554 0.095 0.000 2.653 453 T HA -0.271 4.079 4.350 -0.000 0.000 0.268 453 T C 1.847 176.671 174.700 0.207 0.000 1.035 453 T CA 2.168 64.339 62.100 0.119 0.000 1.154 453 T CB -0.517 68.414 68.868 0.105 0.000 0.862 453 T HN 0.574 nan 8.240 nan 0.000 0.441 454 Y N 1.565 121.996 120.300 0.218 0.000 2.256 454 Y HA -0.073 4.477 4.550 -0.000 0.000 0.288 454 Y C 2.445 178.502 175.900 0.262 0.000 1.155 454 Y CA 1.011 59.272 58.100 0.269 0.000 1.203 454 Y CB -0.978 37.670 38.460 0.314 0.000 0.980 454 Y HN 0.056 nan 8.280 nan 0.000 0.530 455 S N 0.069 115.564 115.700 -0.342 0.000 2.368 455 S HA -0.155 4.315 4.470 -0.000 0.000 0.224 455 S C 1.474 175.979 174.600 -0.158 0.000 1.029 455 S CA 1.454 59.472 58.200 -0.303 0.000 0.988 455 S CB -0.613 62.406 63.200 -0.301 0.000 0.838 455 S HN 0.698 nan 8.310 nan 0.000 0.462 456 W N 1.786 122.978 121.300 -0.180 0.000 2.358 456 W HA 0.065 4.725 4.660 -0.000 0.000 0.303 456 W C 2.061 178.528 176.519 -0.086 0.000 1.208 456 W CA 0.256 57.577 57.345 -0.040 0.000 1.274 456 W CB -0.700 28.730 29.460 -0.051 0.000 1.138 456 W HN 0.228 nan 8.180 nan 0.000 0.515 457 I N -0.502 120.169 120.570 0.168 0.000 2.179 457 I HA -0.310 3.860 4.170 -0.000 0.000 0.242 457 I C 2.218 178.263 176.117 -0.120 0.000 1.088 457 I CA 1.697 63.017 61.300 0.033 0.000 1.357 457 I CB -1.004 37.064 38.000 0.113 0.000 1.051 457 I HN -0.075 nan 8.210 nan 0.000 0.409 458 T N 0.736 115.308 114.554 0.030 0.000 2.746 458 T HA -0.144 4.206 4.350 -0.000 0.000 0.267 458 T C 1.923 176.483 174.700 -0.235 0.000 1.039 458 T CA 1.199 63.362 62.100 0.104 0.000 1.142 458 T CB -0.061 69.051 68.868 0.406 0.000 0.866 458 T HN 0.132 nan 8.240 nan 0.000 0.444 459 M N 1.600 120.966 119.600 -0.389 0.000 2.099 459 M HA 0.001 4.481 4.480 -0.000 0.000 0.262 459 M C 2.130 178.061 176.300 -0.614 0.000 1.067 459 M CA 1.197 56.104 55.300 -0.655 0.000 1.124 459 M CB -1.524 30.472 32.600 -1.006 0.000 1.353 459 M HN 0.142 nan 8.290 nan 0.000 0.410 460 N N 0.875 119.317 118.700 -0.430 0.000 2.036 460 N HA -0.130 4.610 4.740 -0.000 0.000 0.195 460 N C 1.898 177.162 175.510 -0.411 0.000 1.037 460 N CA 1.355 54.196 53.050 -0.349 0.000 0.855 460 N CB -0.591 37.770 38.487 -0.210 0.000 1.033 460 N HN 0.348 nan 8.380 nan 0.000 0.423 461 L N -0.143 120.777 121.223 -0.505 0.000 2.156 461 L HA -0.016 4.324 4.340 -0.000 0.000 0.208 461 L C 2.369 178.866 176.870 -0.621 0.000 1.095 461 L CA 1.024 55.514 54.840 -0.584 0.000 0.770 461 L CB -0.732 40.714 42.059 -1.023 0.000 0.914 461 L HN 0.224 nan 8.230 nan 0.000 0.439 462 G N 0.235 108.498 108.800 -0.896 0.000 2.404 462 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.215 462 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.215 462 G C 1.586 175.784 174.900 -1.169 0.000 1.174 462 G CA 0.482 44.572 45.100 -1.684 0.000 0.780 462 G HN 0.241 nan 8.290 nan 0.000 0.537 463 L N -0.377 120.376 121.223 -0.783 0.000 2.270 463 L HA 0.299 4.639 4.340 -0.000 0.000 0.210 463 L C 2.046 178.778 176.870 -0.231 0.000 1.104 463 L CA 0.807 55.424 54.840 -0.372 0.000 0.804 463 L CB 0.174 42.027 42.059 -0.344 0.000 0.937 463 L HN 0.432 nan 8.230 nan 0.000 0.450 464 G N -0.064 108.585 108.800 -0.251 0.000 2.200 464 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.145 464 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.145 464 G C 0.067 174.890 174.900 -0.128 0.000 1.021 464 G CA -0.700 44.309 45.100 -0.151 0.000 0.720 464 G HN 0.131 nan 8.290 nan 0.000 0.494 465 I N 2.112 122.585 120.570 -0.163 0.000 2.282 465 I HA 0.445 4.615 4.170 -0.000 0.000 0.290 465 I C -0.026 176.016 176.117 -0.124 0.000 1.090 465 I CA -0.708 60.516 61.300 -0.126 0.000 1.231 465 I CB 1.140 39.066 38.000 -0.123 0.000 1.434 465 I HN -0.133 nan 8.210 nan 0.000 0.487 466 V N 7.486 127.346 119.914 -0.090 0.000 2.604 466 V HA 0.415 4.535 4.120 -0.000 0.000 0.305 466 V C -2.195 173.867 176.094 -0.055 0.000 1.043 466 V CA -1.916 60.343 62.300 -0.069 0.000 0.888 466 V CB 2.004 33.803 31.823 -0.041 0.000 0.995 466 V HN 0.473 nan 8.190 nan 0.000 0.429 467 P HA 0.110 nan 4.420 nan 0.000 0.269 467 P C 0.854 178.134 177.300 -0.033 0.000 1.209 467 P CA 0.066 63.146 63.100 -0.034 0.000 0.776 467 P CB 0.776 32.469 31.700 -0.010 0.000 0.876 468 E N 2.008 122.191 120.200 -0.027 0.000 2.130 468 E HA -0.196 4.154 4.350 -0.000 0.000 0.196 468 E C 0.192 176.770 176.600 -0.036 0.000 0.998 468 E CA 1.289 57.671 56.400 -0.029 0.000 0.806 468 E CB 0.227 29.915 29.700 -0.021 0.000 0.738 468 E HN 0.337 nan 8.360 nan 0.000 0.459 469 R N -0.383 120.098 120.500 -0.031 0.000 2.836 469 R HA 0.345 4.685 4.340 -0.000 0.000 0.269 469 R C -2.528 173.743 176.300 -0.049 0.000 1.010 469 R CA -1.964 54.108 56.100 -0.045 0.000 0.930 469 R CB 1.816 32.091 30.300 -0.042 0.000 1.218 469 R HN 0.011 nan 8.270 nan 0.000 0.473 470 P HA 0.052 nan 4.420 nan 0.000 0.273 470 P C -0.953 176.289 177.300 -0.096 0.000 1.250 470 P CA -0.383 62.664 63.100 -0.088 0.000 0.793 470 P CB 0.557 32.190 31.700 -0.113 0.000 1.011 471 R N 1.307 121.722 120.500 -0.142 0.000 2.421 471 R HA 0.077 4.417 4.340 -0.000 0.000 0.305 471 R C -1.521 174.674 176.300 -0.174 0.000 1.039 471 R CA -1.018 54.990 56.100 -0.153 0.000 1.003 471 R CB -0.103 30.068 30.300 -0.215 0.000 0.959 471 R HN 0.312 nan 8.270 nan 0.000 0.427 472 P HA -0.104 nan 4.420 nan 0.000 0.220 472 P C 0.570 177.876 177.300 0.010 0.000 1.148 472 P CA 1.145 64.219 63.100 -0.044 0.000 0.803 472 P CB 0.228 31.929 31.700 0.001 0.000 0.782 473 A N -0.237 122.559 122.820 -0.040 0.000 1.978 473 A HA -0.193 4.127 4.320 -0.000 0.000 0.220 473 A C 2.109 179.631 177.584 -0.102 0.000 1.170 473 A CA 1.387 53.418 52.037 -0.010 0.000 0.636 473 A CB -1.656 17.325 19.000 -0.033 0.000 0.810 473 A HN 0.145 nan 8.150 nan 0.000 0.448 474 L N -0.610 120.406 121.223 -0.344 0.000 2.127 474 L HA -0.170 4.170 4.340 -0.000 0.000 0.211 474 L C 2.156 178.957 176.870 -0.116 0.000 1.089 474 L CA 0.915 55.513 54.840 -0.404 0.000 0.757 474 L CB -0.542 41.157 42.059 -0.602 0.000 0.899 474 L HN 0.418 nan 8.230 nan 0.000 0.434 475 L N -1.317 119.845 121.223 -0.102 0.000 2.478 475 L HA -0.110 4.229 4.340 -0.000 0.000 0.223 475 L C 1.940 178.715 176.870 -0.159 0.000 1.140 475 L CA 0.464 55.231 54.840 -0.122 0.000 0.842 475 L CB -0.671 41.277 42.059 -0.186 0.000 0.953 475 L HN 0.395 nan 8.230 nan 0.000 0.452 476 H N -0.653 118.402 119.070 -0.026 0.000 2.539 476 H HA 0.284 4.840 4.556 -0.000 0.000 0.267 476 H C 0.450 175.798 175.328 0.033 0.000 0.982 476 H CA 0.225 56.274 56.048 0.002 0.000 1.146 476 H CB 0.397 30.159 29.762 -0.001 0.000 1.382 476 H HN 0.319 nan 8.280 nan 0.000 0.577 477 M N 0.323 120.010 119.600 0.145 0.000 2.662 477 M HA 0.138 4.618 4.480 -0.000 0.000 0.310 477 M C -0.386 176.012 176.300 0.163 0.000 1.204 477 M CA -1.050 54.356 55.300 0.177 0.000 0.891 477 M CB 2.304 35.055 32.600 0.252 0.000 1.732 477 M HN -0.166 nan 8.290 nan 0.000 0.467 478 D N 2.974 123.452 120.400 0.129 0.000 2.401 478 D HA 0.103 4.743 4.640 -0.000 0.000 0.254 478 D C -1.606 174.713 176.300 0.031 0.000 1.192 478 D CA -1.290 52.749 54.000 0.064 0.000 0.885 478 D CB 0.948 41.767 40.800 0.031 0.000 1.147 478 D HN 0.257 nan 8.370 nan 0.000 0.478 479 P HA 0.068 nan 4.420 nan 0.000 0.240 479 P C 0.958 178.150 177.300 -0.181 0.000 1.190 479 P CA 0.212 63.272 63.100 -0.067 0.000 0.781 479 P CB 0.245 31.974 31.700 0.049 0.000 0.931 480 A N 1.731 124.482 122.820 -0.116 0.000 1.892 480 A HA -0.118 4.202 4.320 -0.000 0.000 0.218 480 A C 0.003 177.491 177.584 -0.159 0.000 1.188 480 A CA 1.876 53.851 52.037 -0.104 0.000 0.631 480 A CB -2.176 16.787 19.000 -0.062 0.000 0.822 480 A HN 0.198 nan 8.150 nan 0.000 0.447 481 P HA -0.126 nan 4.420 nan 0.000 0.216 481 P C 1.574 178.654 177.300 -0.366 0.000 1.150 481 P CA 1.954 64.907 63.100 -0.245 0.000 0.837 481 P CB -0.069 31.491 31.700 -0.233 0.000 0.786 482 A N -1.299 121.168 122.820 -0.589 0.000 1.975 482 A HA -0.027 4.293 4.320 -0.000 0.000 0.215 482 A C 2.120 179.503 177.584 -0.335 0.000 1.170 482 A CA 0.851 52.441 52.037 -0.745 0.000 0.656 482 A CB -1.360 16.800 19.000 -1.400 0.000 0.821 482 A HN 0.098 nan 8.150 nan 0.000 0.449 483 L N -0.645 120.495 121.223 -0.138 0.000 2.093 483 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 483 L C 3.066 179.953 176.870 0.028 0.000 1.085 483 L CA 0.931 55.813 54.840 0.070 0.000 0.755 483 L CB -0.502 41.578 42.059 0.035 0.000 0.904 483 L HN 0.411 nan 8.230 nan 0.000 0.435 484 A N 0.050 122.833 122.820 -0.062 0.000 1.908 484 A HA -0.285 4.035 4.320 -0.000 0.000 0.218 484 A C 2.209 179.754 177.584 -0.065 0.000 1.181 484 A CA 2.166 54.168 52.037 -0.057 0.000 0.627 484 A CB -0.478 18.474 19.000 -0.081 0.000 0.818 484 A HN 0.392 nan 8.150 nan 0.000 0.445 485 E N -0.701 119.408 120.200 -0.151 0.000 2.072 485 E HA -0.084 4.266 4.350 -0.000 0.000 0.190 485 E C 1.577 178.093 176.600 -0.141 0.000 0.982 485 E CA 1.149 57.433 56.400 -0.192 0.000 0.803 485 E CB -0.486 29.021 29.700 -0.321 0.000 0.755 485 E HN 0.641 nan 8.360 nan 0.000 0.453 486 F N 0.658 120.578 119.950 -0.050 0.000 2.161 486 F HA -0.165 4.362 4.527 -0.000 0.000 0.300 486 F C 2.404 178.191 175.800 -0.023 0.000 1.089 486 F CA 0.967 58.954 58.000 -0.022 0.000 1.282 486 F CB 0.056 39.062 39.000 0.010 0.000 1.010 486 F HN 0.069 nan 8.300 nan 0.000 0.485 487 E N 0.381 120.673 120.200 0.153 0.000 2.047 487 E HA -0.145 4.205 4.350 -0.000 0.000 0.191 487 E C 2.280 178.907 176.600 0.044 0.000 0.987 487 E CA 0.923 57.370 56.400 0.078 0.000 0.799 487 E CB -0.362 29.366 29.700 0.046 0.000 0.752 487 E HN 0.373 nan 8.360 nan 0.000 0.449 488 R N 0.232 120.743 120.500 0.018 0.000 2.103 488 R HA -0.125 4.215 4.340 -0.000 0.000 0.242 488 R C 2.623 178.933 176.300 0.016 0.000 1.142 488 R CA 1.032 57.135 56.100 0.005 0.000 0.960 488 R CB -0.451 29.838 30.300 -0.018 0.000 0.858 488 R HN 0.170 nan 8.270 nan 0.000 0.439 489 L N -0.067 121.170 121.223 0.024 0.000 2.017 489 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 489 L C 2.816 179.710 176.870 0.040 0.000 1.073 489 L CA 1.392 56.252 54.840 0.033 0.000 0.745 489 L CB -0.400 41.684 42.059 0.042 0.000 0.894 489 L HN 0.165 nan 8.230 nan 0.000 0.432 490 R N 0.083 120.615 120.500 0.053 0.000 2.083 490 R HA -0.214 4.126 4.340 -0.000 0.000 0.237 490 R C 2.518 178.835 176.300 0.028 0.000 1.137 490 R CA 1.728 57.853 56.100 0.040 0.000 0.951 490 R CB -0.166 30.160 30.300 0.045 0.000 0.851 490 R HN 0.221 nan 8.270 nan 0.000 0.434 491 R N 0.482 120.998 120.500 0.026 0.000 2.062 491 R HA -0.113 4.227 4.340 -0.000 0.000 0.229 491 R C 1.893 178.202 176.300 0.015 0.000 1.128 491 R CA 1.794 57.904 56.100 0.018 0.000 0.960 491 R CB -0.087 30.222 30.300 0.015 0.000 0.855 491 R HN 0.334 nan 8.270 nan 0.000 0.432 492 E N -0.724 119.486 120.200 0.017 0.000 2.085 492 E HA -0.151 4.199 4.350 -0.000 0.000 0.194 492 E C 1.873 178.478 176.600 0.008 0.000 0.994 492 E CA 1.208 57.619 56.400 0.019 0.000 0.801 492 E CB -0.234 29.483 29.700 0.029 0.000 0.743 492 E HN 0.582 nan 8.360 nan 0.000 0.453 493 G N 1.436 110.239 108.800 0.004 0.000 2.421 493 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.216 493 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.216 493 G C 1.122 176.010 174.900 -0.021 0.000 1.171 493 G CA 1.065 46.154 45.100 -0.018 0.000 0.775 493 G HN 0.128 nan 8.290 nan 0.000 0.543 494 D N 0.596 120.995 120.400 -0.001 0.000 2.149 494 D HA -0.066 4.574 4.640 -0.000 0.000 0.198 494 D C 2.438 178.734 176.300 -0.006 0.000 0.990 494 D CA 0.982 54.983 54.000 0.000 0.000 0.839 494 D CB -0.156 40.650 40.800 0.009 0.000 0.948 494 D HN 0.493 nan 8.370 nan 0.000 0.460 495 E N -0.266 119.931 120.200 -0.004 0.000 2.158 495 E HA 0.010 4.360 4.350 -0.000 0.000 0.191 495 E C 2.309 178.902 176.600 -0.011 0.000 0.982 495 E CA 0.077 56.475 56.400 -0.003 0.000 0.823 495 E CB 0.121 29.824 29.700 0.005 0.000 0.766 495 E HN 0.231 nan 8.360 nan 0.000 0.468 496 L N 1.095 122.303 121.223 -0.025 0.000 2.027 496 L HA -0.143 4.197 4.340 -0.000 0.000 0.206 496 L C 2.663 179.488 176.870 -0.076 0.000 1.074 496 L CA 0.995 55.803 54.840 -0.053 0.000 0.745 496 L CB -0.535 41.462 42.059 -0.103 0.000 0.898 496 L HN 0.253 nan 8.230 nan 0.000 0.433 497 I N -2.334 118.191 120.570 -0.075 0.000 2.454 497 I HA -0.179 3.991 4.170 -0.000 0.000 0.254 497 I C 2.447 178.542 176.117 -0.036 0.000 1.156 497 I CA 1.449 62.710 61.300 -0.065 0.000 1.433 497 I CB -0.560 37.409 38.000 -0.052 0.000 1.082 497 I HN 0.066 nan 8.210 nan 0.000 0.432 498 A N 0.841 123.647 122.820 -0.023 0.000 2.066 498 A HA 0.331 4.651 4.320 -0.000 0.000 0.218 498 A C 2.385 179.964 177.584 -0.007 0.000 1.157 498 A CA 1.325 53.356 52.037 -0.010 0.000 0.670 498 A CB -0.516 18.481 19.000 -0.004 0.000 0.804 498 A HN 0.619 nan 8.150 nan 0.000 0.453 499 A N -1.035 121.777 122.820 -0.013 0.000 2.055 499 A HA 0.519 4.839 4.320 -0.000 0.000 0.205 499 A C 0.796 178.373 177.584 -0.011 0.000 1.235 499 A CA -0.149 51.885 52.037 -0.006 0.000 0.822 499 A CB -0.096 18.903 19.000 -0.001 0.000 0.903 499 A HN 0.346 nan 8.150 nan 0.000 0.473 500 L N 1.965 123.168 121.223 -0.033 0.000 2.417 500 L HA 0.282 4.622 4.340 -0.000 0.000 0.268 500 L C -1.927 174.930 176.870 -0.022 0.000 1.158 500 L CA -1.894 52.918 54.840 -0.046 0.000 0.819 500 L CB 0.730 42.726 42.059 -0.104 0.000 1.112 500 L HN 0.200 nan 8.230 nan 0.000 0.458 501 P HA 0.134 nan 4.420 nan 0.000 0.276 501 P C -0.798 176.523 177.300 0.034 0.000 1.261 501 P CA -0.613 62.511 63.100 0.040 0.000 0.800 501 P CB 1.046 32.804 31.700 0.097 0.000 1.066 502 S N -0.603 115.136 115.700 0.066 0.000 2.600 502 S HA 0.003 4.473 4.470 -0.000 0.000 0.265 502 S C 1.589 176.258 174.600 0.115 0.000 1.325 502 S CA -0.276 57.969 58.200 0.075 0.000 1.002 502 S CB -0.314 62.944 63.200 0.097 0.000 0.921 502 S HN 0.714 nan 8.310 nan 0.000 0.554 503 C N 1.972 121.340 119.300 0.114 0.000 2.376 503 C HA -0.165 4.294 4.460 -0.000 0.000 0.275 503 C C 2.307 177.452 174.990 0.258 0.000 1.200 503 C CA 1.640 60.767 59.018 0.181 0.000 1.756 503 C CB -1.885 25.953 27.740 0.162 0.000 2.050 503 C HN 0.982 nan 8.230 nan 0.000 0.460 504 Y N 1.307 121.689 120.300 0.138 0.000 2.145 504 Y HA -0.114 4.436 4.550 0.000 0.000 0.286 504 Y C 2.506 178.510 175.900 0.174 0.000 1.145 504 Y CA 2.401 60.593 58.100 0.153 0.000 1.148 504 Y CB -0.727 37.758 38.460 0.041 0.000 0.981 504 Y HN 0.500 nan 8.280 nan 0.000 0.507 505 E N -1.031 119.272 120.200 0.171 0.000 2.049 505 E HA -0.344 4.006 4.350 -0.000 0.000 0.198 505 E C 2.133 178.740 176.600 0.012 0.000 1.007 505 E CA 1.767 58.219 56.400 0.086 0.000 0.809 505 E CB -0.610 29.166 29.700 0.127 0.000 0.749 505 E HN 0.638 nan 8.360 nan 0.000 0.450 506 Y N 0.972 121.265 120.300 -0.012 0.000 2.145 506 Y HA -0.202 4.348 4.550 -0.000 0.000 0.286 506 Y C 2.093 177.965 175.900 -0.046 0.000 1.145 506 Y CA 1.707 59.796 58.100 -0.018 0.000 1.148 506 Y CB -0.262 38.196 38.460 -0.003 0.000 0.981 506 Y HN 0.035 nan 8.280 nan 0.000 0.507 507 L N -0.465 120.741 121.223 -0.029 0.000 2.131 507 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 507 L C 2.721 179.339 176.870 -0.421 0.000 1.092 507 L CA 1.087 55.800 54.840 -0.212 0.000 0.759 507 L CB -0.854 41.173 42.059 -0.053 0.000 0.903 507 L HN 0.335 nan 8.230 nan 0.000 0.435 508 A N -0.143 122.465 122.820 -0.353 0.000 1.933 508 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 508 A C 2.498 179.926 177.584 -0.259 0.000 1.175 508 A CA 1.827 53.698 52.037 -0.278 0.000 0.628 508 A CB -0.628 18.190 19.000 -0.302 0.000 0.814 508 A HN 0.505 nan 8.150 nan 0.000 0.444 509 S N 0.088 115.600 115.700 -0.313 0.000 2.481 509 S HA -0.023 4.447 4.470 -0.000 0.000 0.231 509 S C 1.495 175.892 174.600 -0.339 0.000 0.996 509 S CA 0.993 59.020 58.200 -0.288 0.000 0.942 509 S CB -0.664 62.362 63.200 -0.290 0.000 0.768 509 S HN 0.900 nan 8.310 nan 0.000 0.520 510 I N -2.293 118.012 120.570 -0.441 0.000 4.018 510 I HA 0.286 4.456 4.170 -0.000 0.000 0.337 510 I C 0.417 176.337 176.117 -0.329 0.000 1.327 510 I CA -0.712 60.361 61.300 -0.379 0.000 1.100 510 I CB -0.044 37.703 38.000 -0.422 0.000 1.025 510 I HN 0.026 nan 8.210 nan 0.000 0.396 511 Q N 0.000 119.593 119.800 -0.346 0.000 2.315 511 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 511 Q CA 0.000 55.611 55.803 -0.320 0.000 1.022 511 Q CB 0.000 28.557 28.738 -0.301 0.000 1.108 511 Q HN 0.000 nan 8.270 nan 0.000 0.481